USER MOD reduce.3.24.130724 H: found=0, std=0, add=753, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 752 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 32 SER OG : rot -37:sc= -4.06! USER MOD Set 1.2: A 64 MET CE :methyl -118:sc= -8.2! (180deg=-2.88!) USER MOD Single : A 10 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 14 LYS NZ :NH3+ -168:sc= -0.293 (180deg=-0.638!) USER MOD Single : A 16 LYS NZ :NH3+ 137:sc= -0.274 (180deg=-2.12!) USER MOD Single : A 17 TYR OH : rot 70:sc= -0.901 USER MOD Single : A 23 SER OG : rot 105:sc= 0.825 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 28 ASN : amide:sc= 0.437 K(o=0.44,f=-1) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 ASN : amide:sc= -7.87! C(o=-7.9!,f=-2.8!) USER MOD Single : A 43 SER OG : rot 140:sc= -3.56! USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 57 SER OG : rot -149:sc= -10.5! USER MOD Single : A 61 HIS : no HD1:sc= -10.9! C(o=-11!,f=-8!) USER MOD Single : A 74 MET CE :methyl -150:sc= -4.4! (180deg=-7.8!) USER MOD Single : A 78 TYR OH : rot 180:sc= 0 USER MOD Single : A 79 CYS SG : rot 102:sc= -0.138 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 89 SER OG : rot 180:sc= 0 USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ -152:sc=1.69e-05 (180deg=-0.00222) USER MOD ----------------------------------------------------------------- ATOM 1 N PRO A 6 -14.988 -3.337 18.288 1.00 0.00 N ATOM 2 CA PRO A 6 -13.828 -2.499 18.672 1.00 0.00 C ATOM 3 C PRO A 6 -13.070 -2.043 17.423 1.00 0.00 C ATOM 4 O PRO A 6 -13.514 -2.240 16.309 1.00 0.00 O ATOM 5 CB PRO A 6 -12.970 -3.439 19.513 1.00 0.00 C ATOM 6 CG PRO A 6 -13.332 -4.818 19.056 1.00 0.00 C ATOM 7 CD PRO A 6 -14.740 -4.764 18.515 1.00 0.00 C ATOM 0 HA PRO A 6 -14.110 -1.593 19.209 1.00 0.00 H new ATOM 0 HB2 PRO A 6 -11.908 -3.241 19.365 1.00 0.00 H new ATOM 0 HB3 PRO A 6 -13.172 -3.311 20.576 1.00 0.00 H new ATOM 0 HG2 PRO A 6 -12.639 -5.161 18.287 1.00 0.00 H new ATOM 0 HG3 PRO A 6 -13.266 -5.525 19.883 1.00 0.00 H new ATOM 0 HD2 PRO A 6 -14.833 -5.335 17.592 1.00 0.00 H new ATOM 0 HD3 PRO A 6 -15.454 -5.184 19.223 1.00 0.00 H new ATOM 15 N TRP A 7 -11.928 -1.437 17.598 1.00 0.00 N ATOM 16 CA TRP A 7 -11.144 -0.973 16.418 1.00 0.00 C ATOM 17 C TRP A 7 -10.403 -2.153 15.783 1.00 0.00 C ATOM 18 O TRP A 7 -9.688 -2.876 16.446 1.00 0.00 O ATOM 19 CB TRP A 7 -10.154 0.048 16.978 1.00 0.00 C ATOM 20 CG TRP A 7 -9.324 0.600 15.866 1.00 0.00 C ATOM 21 CD1 TRP A 7 -9.631 0.507 14.554 1.00 0.00 C ATOM 22 CD2 TRP A 7 -8.064 1.325 15.945 1.00 0.00 C ATOM 23 NE1 TRP A 7 -8.638 1.130 13.818 1.00 0.00 N ATOM 24 CE2 TRP A 7 -7.649 1.650 14.632 1.00 0.00 C ATOM 25 CE3 TRP A 7 -7.250 1.728 17.017 1.00 0.00 C ATOM 26 CZ2 TRP A 7 -6.467 2.350 14.392 1.00 0.00 C ATOM 27 CZ3 TRP A 7 -6.059 2.433 16.779 1.00 0.00 C ATOM 28 CH2 TRP A 7 -5.669 2.743 15.469 1.00 0.00 C ATOM 0 H TRP A 7 -11.504 -1.243 18.505 1.00 0.00 H new ATOM 0 HA TRP A 7 -11.776 -0.541 15.642 1.00 0.00 H new ATOM 0 HB2 TRP A 7 -10.691 0.853 17.480 1.00 0.00 H new ATOM 0 HB3 TRP A 7 -9.514 -0.422 17.725 1.00 0.00 H new ATOM 0 HD1 TRP A 7 -10.507 0.026 14.146 1.00 0.00 H new ATOM 0 HE1 TRP A 7 -8.636 1.197 12.800 1.00 0.00 H new ATOM 0 HE3 TRP A 7 -7.542 1.494 18.030 1.00 0.00 H new ATOM 0 HZ2 TRP A 7 -6.171 2.587 13.381 1.00 0.00 H new ATOM 0 HZ3 TRP A 7 -5.440 2.738 17.610 1.00 0.00 H new ATOM 0 HH2 TRP A 7 -4.752 3.285 15.292 1.00 0.00 H new ATOM 39 N ALA A 8 -10.572 -2.353 14.504 1.00 0.00 N ATOM 40 CA ALA A 8 -9.880 -3.488 13.827 1.00 0.00 C ATOM 41 C ALA A 8 -8.440 -3.603 14.331 1.00 0.00 C ATOM 42 O ALA A 8 -7.865 -4.673 14.357 1.00 0.00 O ATOM 43 CB ALA A 8 -9.904 -3.138 12.339 1.00 0.00 C ATOM 0 H ALA A 8 -11.159 -1.780 13.898 1.00 0.00 H new ATOM 0 HA ALA A 8 -10.363 -4.445 14.026 1.00 0.00 H new ATOM 0 HB1 ALA A 8 -9.412 -3.928 11.771 1.00 0.00 H new ATOM 0 HB2 ALA A 8 -10.937 -3.041 12.005 1.00 0.00 H new ATOM 0 HB3 ALA A 8 -9.380 -2.196 12.178 1.00 0.00 H new ATOM 49 N VAL A 9 -7.858 -2.509 14.739 1.00 0.00 N ATOM 50 CA VAL A 9 -6.457 -2.558 15.247 1.00 0.00 C ATOM 51 C VAL A 9 -6.458 -2.692 16.772 1.00 0.00 C ATOM 52 O VAL A 9 -7.409 -2.334 17.437 1.00 0.00 O ATOM 53 CB VAL A 9 -5.828 -1.232 14.825 1.00 0.00 C ATOM 54 CG1 VAL A 9 -4.493 -1.049 15.551 1.00 0.00 C ATOM 55 CG2 VAL A 9 -5.590 -1.242 13.312 1.00 0.00 C ATOM 0 H VAL A 9 -8.290 -1.585 14.743 1.00 0.00 H new ATOM 0 HA VAL A 9 -5.904 -3.409 14.850 1.00 0.00 H new ATOM 0 HB VAL A 9 -6.497 -0.411 15.083 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -4.042 -0.103 15.251 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -4.662 -1.045 16.628 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -3.823 -1.868 15.292 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -5.141 -0.296 13.008 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -4.919 -2.062 13.055 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -6.540 -1.375 12.795 1.00 0.00 H new ATOM 65 N LYS A 10 -5.398 -3.208 17.328 1.00 0.00 N ATOM 66 CA LYS A 10 -5.333 -3.372 18.808 1.00 0.00 C ATOM 67 C LYS A 10 -4.290 -2.414 19.394 1.00 0.00 C ATOM 68 O LYS A 10 -3.553 -1.782 18.663 1.00 0.00 O ATOM 69 CB LYS A 10 -4.912 -4.829 19.014 1.00 0.00 C ATOM 70 CG LYS A 10 -6.154 -5.724 19.019 1.00 0.00 C ATOM 71 CD LYS A 10 -6.768 -5.749 20.420 1.00 0.00 C ATOM 72 CE LYS A 10 -8.189 -6.314 20.347 1.00 0.00 C ATOM 73 NZ LYS A 10 -8.773 -6.068 21.695 1.00 0.00 N ATOM 0 H LYS A 10 -4.572 -3.524 16.821 1.00 0.00 H new ATOM 0 HA LYS A 10 -6.279 -3.147 19.302 1.00 0.00 H new ATOM 0 HB2 LYS A 10 -4.232 -5.138 18.220 1.00 0.00 H new ATOM 0 HB3 LYS A 10 -4.372 -4.933 19.955 1.00 0.00 H new ATOM 0 HG2 LYS A 10 -6.883 -5.354 18.299 1.00 0.00 H new ATOM 0 HG3 LYS A 10 -5.887 -6.735 18.711 1.00 0.00 H new ATOM 0 HD2 LYS A 10 -6.157 -6.359 21.085 1.00 0.00 H new ATOM 0 HD3 LYS A 10 -6.787 -4.742 20.838 1.00 0.00 H new ATOM 0 HE2 LYS A 10 -8.771 -5.819 19.569 1.00 0.00 H new ATOM 0 HE3 LYS A 10 -8.179 -7.378 20.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 10 -9.748 -6.429 21.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 10 -8.203 -6.556 22.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 10 -8.776 -5.047 21.891 1.00 0.00 H new ATOM 87 N PRO A 11 -4.260 -2.339 20.698 1.00 0.00 N ATOM 88 CA PRO A 11 -3.292 -1.447 21.387 1.00 0.00 C ATOM 89 C PRO A 11 -1.863 -1.944 21.173 1.00 0.00 C ATOM 90 O PRO A 11 -0.940 -1.166 21.031 1.00 0.00 O ATOM 91 CB PRO A 11 -3.699 -1.543 22.855 1.00 0.00 C ATOM 92 CG PRO A 11 -4.408 -2.852 22.967 1.00 0.00 C ATOM 93 CD PRO A 11 -5.106 -3.066 21.651 1.00 0.00 C ATOM 0 HA PRO A 11 -3.310 -0.422 21.016 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -2.829 -1.507 23.510 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -4.348 -0.715 23.141 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -3.705 -3.659 23.170 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -5.123 -2.838 23.789 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -5.176 -4.124 21.400 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -6.123 -2.674 21.667 1.00 0.00 H new ATOM 101 N GLU A 12 -1.670 -3.233 21.136 1.00 0.00 N ATOM 102 CA GLU A 12 -0.302 -3.771 20.918 1.00 0.00 C ATOM 103 C GLU A 12 0.095 -3.554 19.454 1.00 0.00 C ATOM 104 O GLU A 12 1.260 -3.452 19.123 1.00 0.00 O ATOM 105 CB GLU A 12 -0.412 -5.262 21.274 1.00 0.00 C ATOM 106 CG GLU A 12 0.465 -6.104 20.344 1.00 0.00 C ATOM 107 CD GLU A 12 0.885 -7.388 21.061 1.00 0.00 C ATOM 108 OE1 GLU A 12 0.010 -8.094 21.534 1.00 0.00 O ATOM 109 OE2 GLU A 12 2.077 -7.645 21.125 1.00 0.00 O ATOM 0 H GLU A 12 -2.401 -3.935 21.247 1.00 0.00 H new ATOM 0 HA GLU A 12 0.464 -3.283 21.521 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -0.108 -5.418 22.309 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -1.450 -5.585 21.195 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -0.081 -6.346 19.432 1.00 0.00 H new ATOM 0 HG3 GLU A 12 1.347 -5.537 20.046 1.00 0.00 H new ATOM 116 N ASP A 13 -0.869 -3.463 18.577 1.00 0.00 N ATOM 117 CA ASP A 13 -0.546 -3.232 17.143 1.00 0.00 C ATOM 118 C ASP A 13 -0.392 -1.734 16.908 1.00 0.00 C ATOM 119 O ASP A 13 0.440 -1.296 16.143 1.00 0.00 O ATOM 120 CB ASP A 13 -1.740 -3.785 16.365 1.00 0.00 C ATOM 121 CG ASP A 13 -1.916 -5.270 16.686 1.00 0.00 C ATOM 122 OD1 ASP A 13 -0.965 -5.870 17.158 1.00 0.00 O ATOM 123 OD2 ASP A 13 -2.999 -5.782 16.454 1.00 0.00 O ATOM 0 H ASP A 13 -1.863 -3.539 18.793 1.00 0.00 H new ATOM 0 HA ASP A 13 0.381 -3.713 16.832 1.00 0.00 H new ATOM 0 HB2 ASP A 13 -2.644 -3.236 16.628 1.00 0.00 H new ATOM 0 HB3 ASP A 13 -1.584 -3.650 15.295 1.00 0.00 H new ATOM 128 N LYS A 14 -1.179 -0.945 17.583 1.00 0.00 N ATOM 129 CA LYS A 14 -1.062 0.528 17.420 1.00 0.00 C ATOM 130 C LYS A 14 0.208 1.001 18.121 1.00 0.00 C ATOM 131 O LYS A 14 0.711 2.079 17.869 1.00 0.00 O ATOM 132 CB LYS A 14 -2.298 1.109 18.103 1.00 0.00 C ATOM 133 CG LYS A 14 -2.160 2.629 18.200 1.00 0.00 C ATOM 134 CD LYS A 14 -2.180 3.234 16.795 1.00 0.00 C ATOM 135 CE LYS A 14 -1.319 4.498 16.772 1.00 0.00 C ATOM 136 NZ LYS A 14 -0.127 4.136 15.956 1.00 0.00 N ATOM 0 H LYS A 14 -1.896 -1.256 18.238 1.00 0.00 H new ATOM 0 HA LYS A 14 -1.005 0.836 16.376 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -3.194 0.850 17.539 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.412 0.679 19.098 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -2.974 3.041 18.797 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -1.230 2.889 18.706 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -1.804 2.511 16.071 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -3.203 3.473 16.505 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -1.859 5.336 16.332 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.031 4.798 17.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 0.601 4.871 16.060 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.253 3.224 16.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -0.401 4.059 14.956 1.00 0.00 H new ATOM 150 N ALA A 15 0.736 0.187 18.994 1.00 0.00 N ATOM 151 CA ALA A 15 1.983 0.563 19.710 1.00 0.00 C ATOM 152 C ALA A 15 3.162 0.414 18.755 1.00 0.00 C ATOM 153 O ALA A 15 4.039 1.253 18.693 1.00 0.00 O ATOM 154 CB ALA A 15 2.094 -0.430 20.869 1.00 0.00 C ATOM 0 H ALA A 15 0.354 -0.726 19.242 1.00 0.00 H new ATOM 0 HA ALA A 15 1.976 1.591 20.071 1.00 0.00 H new ATOM 0 HB1 ALA A 15 2.993 -0.216 21.446 1.00 0.00 H new ATOM 0 HB2 ALA A 15 1.219 -0.338 21.512 1.00 0.00 H new ATOM 0 HB3 ALA A 15 2.149 -1.445 20.475 1.00 0.00 H new ATOM 160 N LYS A 16 3.171 -0.641 17.985 1.00 0.00 N ATOM 161 CA LYS A 16 4.272 -0.834 17.008 1.00 0.00 C ATOM 162 C LYS A 16 4.025 0.085 15.810 1.00 0.00 C ATOM 163 O LYS A 16 4.939 0.484 15.114 1.00 0.00 O ATOM 164 CB LYS A 16 4.204 -2.318 16.632 1.00 0.00 C ATOM 165 CG LYS A 16 3.251 -2.517 15.461 1.00 0.00 C ATOM 166 CD LYS A 16 2.958 -4.007 15.279 1.00 0.00 C ATOM 167 CE LYS A 16 3.930 -4.596 14.254 1.00 0.00 C ATOM 168 NZ LYS A 16 5.176 -4.868 15.023 1.00 0.00 N ATOM 0 H LYS A 16 2.463 -1.375 17.993 1.00 0.00 H new ATOM 0 HA LYS A 16 5.261 -0.586 17.394 1.00 0.00 H new ATOM 0 HB2 LYS A 16 5.198 -2.680 16.368 1.00 0.00 H new ATOM 0 HB3 LYS A 16 3.868 -2.903 17.488 1.00 0.00 H new ATOM 0 HG2 LYS A 16 2.323 -1.974 15.639 1.00 0.00 H new ATOM 0 HG3 LYS A 16 3.689 -2.109 14.550 1.00 0.00 H new ATOM 0 HD2 LYS A 16 3.058 -4.527 16.232 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.930 -4.148 14.945 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.532 -5.509 13.810 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.114 -3.898 13.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.557 -5.797 14.750 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 5.880 -4.131 14.816 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.963 -4.867 16.041 1.00 0.00 H new ATOM 182 N TYR A 17 2.786 0.446 15.585 1.00 0.00 N ATOM 183 CA TYR A 17 2.467 1.366 14.460 1.00 0.00 C ATOM 184 C TYR A 17 2.893 2.777 14.854 1.00 0.00 C ATOM 185 O TYR A 17 3.354 3.556 14.045 1.00 0.00 O ATOM 186 CB TYR A 17 0.942 1.312 14.295 1.00 0.00 C ATOM 187 CG TYR A 17 0.490 -0.076 13.891 1.00 0.00 C ATOM 188 CD1 TYR A 17 1.419 -1.110 13.743 1.00 0.00 C ATOM 189 CD2 TYR A 17 -0.871 -0.322 13.665 1.00 0.00 C ATOM 190 CE1 TYR A 17 0.991 -2.390 13.371 1.00 0.00 C ATOM 191 CE2 TYR A 17 -1.302 -1.602 13.292 1.00 0.00 C ATOM 192 CZ TYR A 17 -0.369 -2.637 13.146 1.00 0.00 C ATOM 193 OH TYR A 17 -0.791 -3.899 12.778 1.00 0.00 O ATOM 0 H TYR A 17 1.983 0.141 16.135 1.00 0.00 H new ATOM 0 HA TYR A 17 2.976 1.090 13.537 1.00 0.00 H new ATOM 0 HB2 TYR A 17 0.461 1.597 15.230 1.00 0.00 H new ATOM 0 HB3 TYR A 17 0.628 2.035 13.542 1.00 0.00 H new ATOM 0 HD1 TYR A 17 2.468 -0.921 13.916 1.00 0.00 H new ATOM 0 HD2 TYR A 17 -1.589 0.477 13.779 1.00 0.00 H new ATOM 0 HE1 TYR A 17 1.710 -3.188 13.257 1.00 0.00 H new ATOM 0 HE2 TYR A 17 -2.351 -1.790 13.117 1.00 0.00 H new ATOM 0 HH TYR A 17 -0.692 -4.511 13.537 1.00 0.00 H new ATOM 203 N ASP A 18 2.735 3.102 16.109 1.00 0.00 N ATOM 204 CA ASP A 18 3.122 4.459 16.590 1.00 0.00 C ATOM 205 C ASP A 18 4.644 4.598 16.604 1.00 0.00 C ATOM 206 O ASP A 18 5.177 5.678 16.765 1.00 0.00 O ATOM 207 CB ASP A 18 2.569 4.542 18.011 1.00 0.00 C ATOM 208 CG ASP A 18 1.539 5.668 18.100 1.00 0.00 C ATOM 209 OD1 ASP A 18 0.984 6.020 17.072 1.00 0.00 O ATOM 210 OD2 ASP A 18 1.322 6.161 19.195 1.00 0.00 O ATOM 0 H ASP A 18 2.353 2.483 16.824 1.00 0.00 H new ATOM 0 HA ASP A 18 2.734 5.252 15.950 1.00 0.00 H new ATOM 0 HB2 ASP A 18 2.109 3.593 18.288 1.00 0.00 H new ATOM 0 HB3 ASP A 18 3.380 4.722 18.717 1.00 0.00 H new ATOM 215 N ALA A 19 5.346 3.519 16.413 1.00 0.00 N ATOM 216 CA ALA A 19 6.832 3.594 16.389 1.00 0.00 C ATOM 217 C ALA A 19 7.260 3.722 14.939 1.00 0.00 C ATOM 218 O ALA A 19 8.154 4.469 14.593 1.00 0.00 O ATOM 219 CB ALA A 19 7.321 2.276 16.979 1.00 0.00 C ATOM 0 H ALA A 19 4.956 2.587 16.272 1.00 0.00 H new ATOM 0 HA ALA A 19 7.234 4.438 16.950 1.00 0.00 H new ATOM 0 HB1 ALA A 19 8.411 2.265 16.991 1.00 0.00 H new ATOM 0 HB2 ALA A 19 6.946 2.172 17.997 1.00 0.00 H new ATOM 0 HB3 ALA A 19 6.956 1.448 16.371 1.00 0.00 H new ATOM 225 N ILE A 20 6.585 3.014 14.087 1.00 0.00 N ATOM 226 CA ILE A 20 6.877 3.093 12.645 1.00 0.00 C ATOM 227 C ILE A 20 6.371 4.443 12.159 1.00 0.00 C ATOM 228 O ILE A 20 6.898 5.031 11.237 1.00 0.00 O ATOM 229 CB ILE A 20 6.066 1.943 12.055 1.00 0.00 C ATOM 230 CG1 ILE A 20 6.778 0.619 12.335 1.00 0.00 C ATOM 231 CG2 ILE A 20 5.908 2.127 10.552 1.00 0.00 C ATOM 232 CD1 ILE A 20 5.770 -0.529 12.245 1.00 0.00 C ATOM 0 H ILE A 20 5.831 2.374 14.338 1.00 0.00 H new ATOM 0 HA ILE A 20 7.930 3.014 12.375 1.00 0.00 H new ATOM 0 HB ILE A 20 5.079 1.933 12.516 1.00 0.00 H new ATOM 0 HG12 ILE A 20 7.584 0.468 11.616 1.00 0.00 H new ATOM 0 HG13 ILE A 20 7.234 0.641 13.325 1.00 0.00 H new ATOM 0 HG21 ILE A 20 5.328 1.300 10.143 1.00 0.00 H new ATOM 0 HG22 ILE A 20 5.392 3.066 10.353 1.00 0.00 H new ATOM 0 HG23 ILE A 20 6.892 2.147 10.083 1.00 0.00 H new ATOM 0 HD11 ILE A 20 6.276 -1.474 12.444 1.00 0.00 H new ATOM 0 HD12 ILE A 20 4.980 -0.378 12.981 1.00 0.00 H new ATOM 0 HD13 ILE A 20 5.335 -0.554 11.246 1.00 0.00 H new ATOM 244 N PHE A 21 5.355 4.942 12.806 1.00 0.00 N ATOM 245 CA PHE A 21 4.803 6.263 12.429 1.00 0.00 C ATOM 246 C PHE A 21 5.825 7.341 12.803 1.00 0.00 C ATOM 247 O PHE A 21 6.063 8.281 12.073 1.00 0.00 O ATOM 248 CB PHE A 21 3.510 6.382 13.249 1.00 0.00 C ATOM 249 CG PHE A 21 3.257 7.816 13.652 1.00 0.00 C ATOM 250 CD1 PHE A 21 3.992 8.389 14.695 1.00 0.00 C ATOM 251 CD2 PHE A 21 2.283 8.567 12.986 1.00 0.00 C ATOM 252 CE1 PHE A 21 3.752 9.714 15.074 1.00 0.00 C ATOM 253 CE2 PHE A 21 2.042 9.891 13.364 1.00 0.00 C ATOM 254 CZ PHE A 21 2.777 10.465 14.409 1.00 0.00 C ATOM 0 H PHE A 21 4.883 4.484 13.585 1.00 0.00 H new ATOM 0 HA PHE A 21 4.599 6.377 11.364 1.00 0.00 H new ATOM 0 HB2 PHE A 21 2.668 6.011 12.664 1.00 0.00 H new ATOM 0 HB3 PHE A 21 3.580 5.757 14.139 1.00 0.00 H new ATOM 0 HD1 PHE A 21 4.745 7.809 15.208 1.00 0.00 H new ATOM 0 HD2 PHE A 21 1.717 8.124 12.180 1.00 0.00 H new ATOM 0 HE1 PHE A 21 4.319 10.157 15.879 1.00 0.00 H new ATOM 0 HE2 PHE A 21 1.289 10.471 12.851 1.00 0.00 H new ATOM 0 HZ PHE A 21 2.591 11.488 14.701 1.00 0.00 H new ATOM 264 N ASP A 22 6.445 7.189 13.936 1.00 0.00 N ATOM 265 CA ASP A 22 7.467 8.181 14.364 1.00 0.00 C ATOM 266 C ASP A 22 8.827 7.807 13.767 1.00 0.00 C ATOM 267 O ASP A 22 9.817 8.477 13.983 1.00 0.00 O ATOM 268 CB ASP A 22 7.492 8.092 15.890 1.00 0.00 C ATOM 269 CG ASP A 22 8.792 8.700 16.420 1.00 0.00 C ATOM 270 OD1 ASP A 22 8.953 9.904 16.300 1.00 0.00 O ATOM 271 OD2 ASP A 22 9.605 7.951 16.936 1.00 0.00 O ATOM 0 H ASP A 22 6.288 6.419 14.586 1.00 0.00 H new ATOM 0 HA ASP A 22 7.240 9.193 14.029 1.00 0.00 H new ATOM 0 HB2 ASP A 22 6.635 8.620 16.309 1.00 0.00 H new ATOM 0 HB3 ASP A 22 7.411 7.052 16.205 1.00 0.00 H new ATOM 276 N SER A 23 8.875 6.753 12.995 1.00 0.00 N ATOM 277 CA SER A 23 10.161 6.351 12.360 1.00 0.00 C ATOM 278 C SER A 23 10.239 6.978 10.966 1.00 0.00 C ATOM 279 O SER A 23 11.197 6.803 10.240 1.00 0.00 O ATOM 280 CB SER A 23 10.098 4.827 12.264 1.00 0.00 C ATOM 281 OG SER A 23 10.245 4.268 13.563 1.00 0.00 O ATOM 0 H SER A 23 8.078 6.154 12.778 1.00 0.00 H new ATOM 0 HA SER A 23 11.037 6.677 12.921 1.00 0.00 H new ATOM 0 HB2 SER A 23 9.148 4.518 11.828 1.00 0.00 H new ATOM 0 HB3 SER A 23 10.886 4.460 11.606 1.00 0.00 H new ATOM 0 HG SER A 23 9.376 3.946 13.881 1.00 0.00 H new ATOM 287 N LEU A 24 9.222 7.709 10.601 1.00 0.00 N ATOM 288 CA LEU A 24 9.193 8.368 9.263 1.00 0.00 C ATOM 289 C LEU A 24 9.171 9.886 9.446 1.00 0.00 C ATOM 290 O LEU A 24 9.148 10.633 8.490 1.00 0.00 O ATOM 291 CB LEU A 24 7.883 7.914 8.595 1.00 0.00 C ATOM 292 CG LEU A 24 7.316 6.674 9.286 1.00 0.00 C ATOM 293 CD1 LEU A 24 5.979 6.301 8.644 1.00 0.00 C ATOM 294 CD2 LEU A 24 8.297 5.512 9.133 1.00 0.00 C ATOM 0 H LEU A 24 8.400 7.880 11.179 1.00 0.00 H new ATOM 0 HA LEU A 24 10.064 8.104 8.663 1.00 0.00 H new ATOM 0 HB2 LEU A 24 7.152 8.722 8.633 1.00 0.00 H new ATOM 0 HB3 LEU A 24 8.064 7.697 7.542 1.00 0.00 H new ATOM 0 HG LEU A 24 7.165 6.884 10.345 1.00 0.00 H new ATOM 0 HD11 LEU A 24 5.573 5.417 9.136 1.00 0.00 H new ATOM 0 HD12 LEU A 24 5.279 7.130 8.753 1.00 0.00 H new ATOM 0 HD13 LEU A 24 6.130 6.090 7.585 1.00 0.00 H new ATOM 0 HD21 LEU A 24 7.893 4.628 9.626 1.00 0.00 H new ATOM 0 HD22 LEU A 24 8.448 5.301 8.074 1.00 0.00 H new ATOM 0 HD23 LEU A 24 9.250 5.778 9.590 1.00 0.00 H new ATOM 306 N SER A 25 9.156 10.335 10.678 1.00 0.00 N ATOM 307 CA SER A 25 9.119 11.803 10.974 1.00 0.00 C ATOM 308 C SER A 25 7.690 12.335 10.838 1.00 0.00 C ATOM 309 O SER A 25 7.231 12.631 9.754 1.00 0.00 O ATOM 310 CB SER A 25 10.038 12.477 9.960 1.00 0.00 C ATOM 311 OG SER A 25 10.898 13.387 10.633 1.00 0.00 O ATOM 0 H SER A 25 9.168 9.737 11.504 1.00 0.00 H new ATOM 0 HA SER A 25 9.447 12.007 11.993 1.00 0.00 H new ATOM 0 HB2 SER A 25 10.626 11.727 9.431 1.00 0.00 H new ATOM 0 HB3 SER A 25 9.447 13.004 9.211 1.00 0.00 H new ATOM 0 HG SER A 25 11.490 13.819 9.983 1.00 0.00 H new ATOM 317 N PRO A 26 7.045 12.431 11.961 1.00 0.00 N ATOM 318 CA PRO A 26 5.651 12.928 12.015 1.00 0.00 C ATOM 319 C PRO A 26 5.624 14.450 11.880 1.00 0.00 C ATOM 320 O PRO A 26 6.516 15.144 12.327 1.00 0.00 O ATOM 321 CB PRO A 26 5.180 12.512 13.403 1.00 0.00 C ATOM 322 CG PRO A 26 6.428 12.414 14.222 1.00 0.00 C ATOM 323 CD PRO A 26 7.560 12.085 13.283 1.00 0.00 C ATOM 0 HA PRO A 26 5.025 12.534 11.214 1.00 0.00 H new ATOM 0 HB2 PRO A 26 4.490 13.244 13.822 1.00 0.00 H new ATOM 0 HB3 PRO A 26 4.653 11.559 13.372 1.00 0.00 H new ATOM 0 HG2 PRO A 26 6.621 13.353 14.741 1.00 0.00 H new ATOM 0 HG3 PRO A 26 6.326 11.643 14.985 1.00 0.00 H new ATOM 0 HD2 PRO A 26 8.455 12.658 13.523 1.00 0.00 H new ATOM 0 HD3 PRO A 26 7.831 11.031 13.341 1.00 0.00 H new ATOM 331 N VAL A 27 4.595 14.968 11.284 1.00 0.00 N ATOM 332 CA VAL A 27 4.480 16.445 11.130 1.00 0.00 C ATOM 333 C VAL A 27 3.211 16.914 11.837 1.00 0.00 C ATOM 334 O VAL A 27 2.132 16.876 11.281 1.00 0.00 O ATOM 335 CB VAL A 27 4.384 16.684 9.622 1.00 0.00 C ATOM 336 CG1 VAL A 27 4.267 18.185 9.349 1.00 0.00 C ATOM 337 CG2 VAL A 27 5.642 16.140 8.942 1.00 0.00 C ATOM 0 H VAL A 27 3.821 14.431 10.893 1.00 0.00 H new ATOM 0 HA VAL A 27 5.321 16.989 11.561 1.00 0.00 H new ATOM 0 HB VAL A 27 3.505 16.174 9.228 1.00 0.00 H new ATOM 0 HG11 VAL A 27 4.199 18.355 8.275 1.00 0.00 H new ATOM 0 HG12 VAL A 27 3.373 18.575 9.836 1.00 0.00 H new ATOM 0 HG13 VAL A 27 5.146 18.696 9.742 1.00 0.00 H new ATOM 0 HG21 VAL A 27 5.577 16.309 7.867 1.00 0.00 H new ATOM 0 HG22 VAL A 27 6.519 16.652 9.337 1.00 0.00 H new ATOM 0 HG23 VAL A 27 5.728 15.071 9.137 1.00 0.00 H new ATOM 347 N ASN A 28 3.327 17.325 13.071 1.00 0.00 N ATOM 348 CA ASN A 28 2.120 17.765 13.828 1.00 0.00 C ATOM 349 C ASN A 28 1.233 16.549 14.105 1.00 0.00 C ATOM 350 O ASN A 28 0.038 16.665 14.295 1.00 0.00 O ATOM 351 CB ASN A 28 1.406 18.768 12.921 1.00 0.00 C ATOM 352 CG ASN A 28 0.429 19.601 13.752 1.00 0.00 C ATOM 353 OD1 ASN A 28 0.662 20.768 13.996 1.00 0.00 O ATOM 354 ND2 ASN A 28 -0.662 19.045 14.202 1.00 0.00 N ATOM 0 H ASN A 28 4.205 17.375 13.587 1.00 0.00 H new ATOM 0 HA ASN A 28 2.367 18.218 14.788 1.00 0.00 H new ATOM 0 HB2 ASN A 28 2.134 19.418 12.436 1.00 0.00 H new ATOM 0 HB3 ASN A 28 0.871 18.243 12.130 1.00 0.00 H new ATOM 0 HD21 ASN A 28 -1.320 19.590 14.759 1.00 0.00 H new ATOM 0 HD22 ASN A 28 -0.857 18.065 13.997 1.00 0.00 H new ATOM 361 N GLY A 29 1.818 15.378 14.126 1.00 0.00 N ATOM 362 CA GLY A 29 1.025 14.143 14.385 1.00 0.00 C ATOM 363 C GLY A 29 0.535 13.563 13.056 1.00 0.00 C ATOM 364 O GLY A 29 -0.490 12.917 12.993 1.00 0.00 O ATOM 0 H GLY A 29 2.815 15.226 13.974 1.00 0.00 H new ATOM 0 HA2 GLY A 29 1.636 13.409 14.911 1.00 0.00 H new ATOM 0 HA3 GLY A 29 0.176 14.372 15.029 1.00 0.00 H new ATOM 368 N PHE A 30 1.262 13.793 11.993 1.00 0.00 N ATOM 369 CA PHE A 30 0.838 13.264 10.663 1.00 0.00 C ATOM 370 C PHE A 30 2.040 12.826 9.838 1.00 0.00 C ATOM 371 O PHE A 30 3.081 13.450 9.848 1.00 0.00 O ATOM 372 CB PHE A 30 0.141 14.435 9.973 1.00 0.00 C ATOM 373 CG PHE A 30 -1.021 14.857 10.820 1.00 0.00 C ATOM 374 CD1 PHE A 30 -1.976 13.910 11.181 1.00 0.00 C ATOM 375 CD2 PHE A 30 -1.137 16.179 11.254 1.00 0.00 C ATOM 376 CE1 PHE A 30 -3.062 14.286 11.983 1.00 0.00 C ATOM 377 CE2 PHE A 30 -2.219 16.559 12.054 1.00 0.00 C ATOM 378 CZ PHE A 30 -3.182 15.612 12.420 1.00 0.00 C ATOM 0 H PHE A 30 2.132 14.325 11.989 1.00 0.00 H new ATOM 0 HA PHE A 30 0.192 12.392 10.770 1.00 0.00 H new ATOM 0 HB2 PHE A 30 0.835 15.265 9.840 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -0.200 14.142 8.980 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -1.880 12.888 10.844 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.391 16.908 10.972 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -3.805 13.555 12.264 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -2.311 17.582 12.389 1.00 0.00 H new ATOM 0 HZ PHE A 30 -4.018 15.903 13.039 1.00 0.00 H new ATOM 388 N LEU A 31 1.885 11.771 9.098 1.00 0.00 N ATOM 389 CA LEU A 31 3.004 11.301 8.232 1.00 0.00 C ATOM 390 C LEU A 31 2.566 11.373 6.776 1.00 0.00 C ATOM 391 O LEU A 31 1.499 10.921 6.425 1.00 0.00 O ATOM 392 CB LEU A 31 3.274 9.854 8.624 1.00 0.00 C ATOM 393 CG LEU A 31 4.029 9.812 9.950 1.00 0.00 C ATOM 394 CD1 LEU A 31 4.099 8.367 10.442 1.00 0.00 C ATOM 395 CD2 LEU A 31 5.447 10.349 9.742 1.00 0.00 C ATOM 0 H LEU A 31 1.034 11.211 9.052 1.00 0.00 H new ATOM 0 HA LEU A 31 3.899 11.911 8.355 1.00 0.00 H new ATOM 0 HB2 LEU A 31 2.334 9.310 8.713 1.00 0.00 H new ATOM 0 HB3 LEU A 31 3.857 9.359 7.847 1.00 0.00 H new ATOM 0 HG LEU A 31 3.512 10.425 10.688 1.00 0.00 H new ATOM 0 HD11 LEU A 31 4.637 8.331 11.389 1.00 0.00 H new ATOM 0 HD12 LEU A 31 3.089 7.982 10.584 1.00 0.00 H new ATOM 0 HD13 LEU A 31 4.620 7.756 9.705 1.00 0.00 H new ATOM 0 HD21 LEU A 31 5.989 10.320 10.687 1.00 0.00 H new ATOM 0 HD22 LEU A 31 5.965 9.733 9.008 1.00 0.00 H new ATOM 0 HD23 LEU A 31 5.398 11.377 9.383 1.00 0.00 H new ATOM 407 N SER A 32 3.373 11.934 5.927 1.00 0.00 N ATOM 408 CA SER A 32 2.980 12.032 4.493 1.00 0.00 C ATOM 409 C SER A 32 3.439 10.797 3.726 1.00 0.00 C ATOM 410 O SER A 32 4.461 10.211 4.025 1.00 0.00 O ATOM 411 CB SER A 32 3.684 13.274 3.966 1.00 0.00 C ATOM 412 OG SER A 32 2.714 14.267 3.660 1.00 0.00 O ATOM 0 H SER A 32 4.285 12.328 6.159 1.00 0.00 H new ATOM 0 HA SER A 32 1.898 12.095 4.374 1.00 0.00 H new ATOM 0 HB2 SER A 32 4.386 13.651 4.709 1.00 0.00 H new ATOM 0 HB3 SER A 32 4.263 13.028 3.076 1.00 0.00 H new ATOM 0 HG SER A 32 1.916 13.840 3.285 1.00 0.00 H new ATOM 418 N GLY A 33 2.689 10.401 2.734 1.00 0.00 N ATOM 419 CA GLY A 33 3.078 9.203 1.936 1.00 0.00 C ATOM 420 C GLY A 33 4.584 9.243 1.670 1.00 0.00 C ATOM 421 O GLY A 33 5.236 8.222 1.573 1.00 0.00 O ATOM 0 H GLY A 33 1.824 10.855 2.441 1.00 0.00 H new ATOM 0 HA2 GLY A 33 2.816 8.292 2.474 1.00 0.00 H new ATOM 0 HA3 GLY A 33 2.531 9.185 0.994 1.00 0.00 H new ATOM 425 N ASP A 34 5.142 10.417 1.562 1.00 0.00 N ATOM 426 CA ASP A 34 6.608 10.527 1.313 1.00 0.00 C ATOM 427 C ASP A 34 7.382 9.738 2.372 1.00 0.00 C ATOM 428 O ASP A 34 8.511 9.341 2.162 1.00 0.00 O ATOM 429 CB ASP A 34 6.918 12.015 1.423 1.00 0.00 C ATOM 430 CG ASP A 34 7.025 12.621 0.022 1.00 0.00 C ATOM 431 OD1 ASP A 34 8.096 12.542 -0.556 1.00 0.00 O ATOM 432 OD2 ASP A 34 6.033 13.153 -0.449 1.00 0.00 O ATOM 0 H ASP A 34 4.647 11.306 1.635 1.00 0.00 H new ATOM 0 HA ASP A 34 6.894 10.123 0.342 1.00 0.00 H new ATOM 0 HB2 ASP A 34 6.135 12.519 1.990 1.00 0.00 H new ATOM 0 HB3 ASP A 34 7.851 12.163 1.967 1.00 0.00 H new ATOM 437 N LYS A 35 6.783 9.505 3.510 1.00 0.00 N ATOM 438 CA LYS A 35 7.487 8.738 4.581 1.00 0.00 C ATOM 439 C LYS A 35 6.816 7.384 4.755 1.00 0.00 C ATOM 440 O LYS A 35 7.463 6.364 4.885 1.00 0.00 O ATOM 441 CB LYS A 35 7.342 9.558 5.871 1.00 0.00 C ATOM 442 CG LYS A 35 7.063 11.029 5.553 1.00 0.00 C ATOM 443 CD LYS A 35 7.241 11.861 6.823 1.00 0.00 C ATOM 444 CE LYS A 35 6.703 13.273 6.594 1.00 0.00 C ATOM 445 NZ LYS A 35 7.904 14.093 6.279 1.00 0.00 N ATOM 0 H LYS A 35 5.839 9.812 3.744 1.00 0.00 H new ATOM 0 HA LYS A 35 8.536 8.574 4.334 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.531 9.152 6.476 1.00 0.00 H new ATOM 0 HB3 LYS A 35 8.253 9.476 6.463 1.00 0.00 H new ATOM 0 HG2 LYS A 35 7.742 11.380 4.776 1.00 0.00 H new ATOM 0 HG3 LYS A 35 6.050 11.144 5.168 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.714 11.391 7.654 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.295 11.903 7.097 1.00 0.00 H new ATOM 0 HE2 LYS A 35 5.984 13.294 5.775 1.00 0.00 H new ATOM 0 HE3 LYS A 35 6.189 13.648 7.479 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 7.617 15.078 6.109 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 8.567 14.059 7.079 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.369 13.716 5.428 1.00 0.00 H new ATOM 459 N VAL A 36 5.520 7.373 4.760 1.00 0.00 N ATOM 460 CA VAL A 36 4.791 6.091 4.924 1.00 0.00 C ATOM 461 C VAL A 36 4.859 5.281 3.630 1.00 0.00 C ATOM 462 O VAL A 36 5.258 4.135 3.623 1.00 0.00 O ATOM 463 CB VAL A 36 3.351 6.498 5.212 1.00 0.00 C ATOM 464 CG1 VAL A 36 2.481 5.246 5.346 1.00 0.00 C ATOM 465 CG2 VAL A 36 3.302 7.304 6.511 1.00 0.00 C ATOM 0 H VAL A 36 4.930 8.199 4.657 1.00 0.00 H new ATOM 0 HA VAL A 36 5.213 5.472 5.716 1.00 0.00 H new ATOM 0 HB VAL A 36 2.974 7.110 4.393 1.00 0.00 H new ATOM 0 HG11 VAL A 36 1.451 5.539 5.552 1.00 0.00 H new ATOM 0 HG12 VAL A 36 2.517 4.676 4.417 1.00 0.00 H new ATOM 0 HG13 VAL A 36 2.854 4.630 6.164 1.00 0.00 H new ATOM 0 HG21 VAL A 36 2.273 7.596 6.719 1.00 0.00 H new ATOM 0 HG22 VAL A 36 3.679 6.694 7.332 1.00 0.00 H new ATOM 0 HG23 VAL A 36 3.919 8.197 6.409 1.00 0.00 H new ATOM 475 N LYS A 37 4.468 5.875 2.534 1.00 0.00 N ATOM 476 CA LYS A 37 4.494 5.139 1.234 1.00 0.00 C ATOM 477 C LYS A 37 5.764 4.287 1.113 1.00 0.00 C ATOM 478 O LYS A 37 5.682 3.113 0.812 1.00 0.00 O ATOM 479 CB LYS A 37 4.448 6.216 0.150 1.00 0.00 C ATOM 480 CG LYS A 37 3.797 5.637 -1.108 1.00 0.00 C ATOM 481 CD LYS A 37 4.234 6.447 -2.330 1.00 0.00 C ATOM 482 CE LYS A 37 4.605 5.495 -3.470 1.00 0.00 C ATOM 483 NZ LYS A 37 3.318 5.210 -4.164 1.00 0.00 N ATOM 0 H LYS A 37 4.132 6.837 2.482 1.00 0.00 H new ATOM 0 HA LYS A 37 3.655 4.449 1.146 1.00 0.00 H new ATOM 0 HB2 LYS A 37 3.883 7.079 0.502 1.00 0.00 H new ATOM 0 HB3 LYS A 37 5.456 6.565 -0.075 1.00 0.00 H new ATOM 0 HG2 LYS A 37 4.083 4.592 -1.230 1.00 0.00 H new ATOM 0 HG3 LYS A 37 2.711 5.661 -1.012 1.00 0.00 H new ATOM 0 HD2 LYS A 37 3.430 7.112 -2.645 1.00 0.00 H new ATOM 0 HD3 LYS A 37 5.087 7.076 -2.076 1.00 0.00 H new ATOM 0 HE2 LYS A 37 5.327 5.952 -4.147 1.00 0.00 H new ATOM 0 HE3 LYS A 37 5.060 4.581 -3.089 1.00 0.00 H new ATOM 0 HZ1 LYS A 37 3.489 4.563 -4.960 1.00 0.00 H new ATOM 0 HZ2 LYS A 37 2.653 4.770 -3.496 1.00 0.00 H new ATOM 0 HZ3 LYS A 37 2.912 6.098 -4.521 1.00 0.00 H new ATOM 497 N PRO A 38 6.901 4.888 1.364 1.00 0.00 N ATOM 498 CA PRO A 38 8.171 4.128 1.289 1.00 0.00 C ATOM 499 C PRO A 38 8.226 3.138 2.450 1.00 0.00 C ATOM 500 O PRO A 38 8.751 2.048 2.338 1.00 0.00 O ATOM 501 CB PRO A 38 9.245 5.201 1.419 1.00 0.00 C ATOM 502 CG PRO A 38 8.576 6.333 2.129 1.00 0.00 C ATOM 503 CD PRO A 38 7.120 6.292 1.741 1.00 0.00 C ATOM 0 HA PRO A 38 8.290 3.548 0.374 1.00 0.00 H new ATOM 0 HB2 PRO A 38 10.103 4.834 1.982 1.00 0.00 H new ATOM 0 HB3 PRO A 38 9.614 5.511 0.441 1.00 0.00 H new ATOM 0 HG2 PRO A 38 8.691 6.234 3.208 1.00 0.00 H new ATOM 0 HG3 PRO A 38 9.025 7.285 1.846 1.00 0.00 H new ATOM 0 HD2 PRO A 38 6.476 6.590 2.569 1.00 0.00 H new ATOM 0 HD3 PRO A 38 6.907 6.967 0.912 1.00 0.00 H new ATOM 511 N VAL A 39 7.661 3.514 3.559 1.00 0.00 N ATOM 512 CA VAL A 39 7.637 2.615 4.745 1.00 0.00 C ATOM 513 C VAL A 39 6.748 1.407 4.440 1.00 0.00 C ATOM 514 O VAL A 39 6.960 0.322 4.944 1.00 0.00 O ATOM 515 CB VAL A 39 7.045 3.484 5.857 1.00 0.00 C ATOM 516 CG1 VAL A 39 6.324 2.620 6.893 1.00 0.00 C ATOM 517 CG2 VAL A 39 8.168 4.265 6.541 1.00 0.00 C ATOM 0 H VAL A 39 7.208 4.418 3.697 1.00 0.00 H new ATOM 0 HA VAL A 39 8.615 2.222 5.022 1.00 0.00 H new ATOM 0 HB VAL A 39 6.325 4.173 5.416 1.00 0.00 H new ATOM 0 HG11 VAL A 39 5.911 3.258 7.674 1.00 0.00 H new ATOM 0 HG12 VAL A 39 5.517 2.069 6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 39 7.030 1.916 7.334 1.00 0.00 H new ATOM 0 HG21 VAL A 39 7.749 4.885 7.334 1.00 0.00 H new ATOM 0 HG22 VAL A 39 8.888 3.567 6.968 1.00 0.00 H new ATOM 0 HG23 VAL A 39 8.668 4.900 5.809 1.00 0.00 H new ATOM 527 N LEU A 40 5.770 1.585 3.598 1.00 0.00 N ATOM 528 CA LEU A 40 4.887 0.442 3.240 1.00 0.00 C ATOM 529 C LEU A 40 5.577 -0.400 2.171 1.00 0.00 C ATOM 530 O LEU A 40 5.237 -1.545 1.946 1.00 0.00 O ATOM 531 CB LEU A 40 3.607 1.076 2.698 1.00 0.00 C ATOM 532 CG LEU A 40 3.035 2.039 3.739 1.00 0.00 C ATOM 533 CD1 LEU A 40 1.601 2.405 3.363 1.00 0.00 C ATOM 534 CD2 LEU A 40 3.055 1.377 5.120 1.00 0.00 C ATOM 0 H LEU A 40 5.544 2.470 3.143 1.00 0.00 H new ATOM 0 HA LEU A 40 4.672 -0.212 4.085 1.00 0.00 H new ATOM 0 HB2 LEU A 40 3.817 1.609 1.771 1.00 0.00 H new ATOM 0 HB3 LEU A 40 2.876 0.302 2.463 1.00 0.00 H new ATOM 0 HG LEU A 40 3.642 2.944 3.767 1.00 0.00 H new ATOM 0 HD11 LEU A 40 1.194 3.091 4.106 1.00 0.00 H new ATOM 0 HD12 LEU A 40 1.592 2.883 2.384 1.00 0.00 H new ATOM 0 HD13 LEU A 40 0.991 1.502 3.331 1.00 0.00 H new ATOM 0 HD21 LEU A 40 2.647 2.066 5.860 1.00 0.00 H new ATOM 0 HD22 LEU A 40 2.452 0.470 5.097 1.00 0.00 H new ATOM 0 HD23 LEU A 40 4.081 1.124 5.387 1.00 0.00 H new ATOM 546 N LEU A 41 6.568 0.157 1.528 1.00 0.00 N ATOM 547 CA LEU A 41 7.308 -0.610 0.496 1.00 0.00 C ATOM 548 C LEU A 41 8.194 -1.627 1.200 1.00 0.00 C ATOM 549 O LEU A 41 8.524 -2.664 0.662 1.00 0.00 O ATOM 550 CB LEU A 41 8.157 0.422 -0.242 1.00 0.00 C ATOM 551 CG LEU A 41 7.303 1.117 -1.298 1.00 0.00 C ATOM 552 CD1 LEU A 41 8.025 2.370 -1.793 1.00 0.00 C ATOM 553 CD2 LEU A 41 7.076 0.158 -2.467 1.00 0.00 C ATOM 0 H LEU A 41 6.894 1.112 1.676 1.00 0.00 H new ATOM 0 HA LEU A 41 6.655 -1.146 -0.193 1.00 0.00 H new ATOM 0 HB2 LEU A 41 8.553 1.154 0.462 1.00 0.00 H new ATOM 0 HB3 LEU A 41 9.013 -0.063 -0.712 1.00 0.00 H new ATOM 0 HG LEU A 41 6.343 1.403 -0.868 1.00 0.00 H new ATOM 0 HD11 LEU A 41 7.415 2.867 -2.548 1.00 0.00 H new ATOM 0 HD12 LEU A 41 8.191 3.048 -0.956 1.00 0.00 H new ATOM 0 HD13 LEU A 41 8.984 2.089 -2.229 1.00 0.00 H new ATOM 0 HD21 LEU A 41 6.466 0.648 -3.226 1.00 0.00 H new ATOM 0 HD22 LEU A 41 8.037 -0.123 -2.899 1.00 0.00 H new ATOM 0 HD23 LEU A 41 6.563 -0.735 -2.110 1.00 0.00 H new ATOM 565 N ASN A 42 8.567 -1.334 2.415 1.00 0.00 N ATOM 566 CA ASN A 42 9.419 -2.283 3.173 1.00 0.00 C ATOM 567 C ASN A 42 8.669 -3.605 3.346 1.00 0.00 C ATOM 568 O ASN A 42 9.256 -4.643 3.582 1.00 0.00 O ATOM 569 CB ASN A 42 9.654 -1.611 4.526 1.00 0.00 C ATOM 570 CG ASN A 42 10.495 -0.352 4.329 1.00 0.00 C ATOM 571 OD1 ASN A 42 11.706 -0.389 4.427 1.00 0.00 O ATOM 572 ND2 ASN A 42 9.897 0.773 4.053 1.00 0.00 N ATOM 0 H ASN A 42 8.317 -0.479 2.912 1.00 0.00 H new ATOM 0 HA ASN A 42 10.360 -2.505 2.670 1.00 0.00 H new ATOM 0 HB2 ASN A 42 8.700 -1.356 4.988 1.00 0.00 H new ATOM 0 HB3 ASN A 42 10.162 -2.299 5.202 1.00 0.00 H new ATOM 0 HD21 ASN A 42 10.445 1.623 3.919 1.00 0.00 H new ATOM 0 HD22 ASN A 42 8.881 0.804 3.971 1.00 0.00 H new ATOM 579 N SER A 43 7.369 -3.569 3.217 1.00 0.00 N ATOM 580 CA SER A 43 6.567 -4.817 3.360 1.00 0.00 C ATOM 581 C SER A 43 6.799 -5.726 2.150 1.00 0.00 C ATOM 582 O SER A 43 6.291 -6.825 2.081 1.00 0.00 O ATOM 583 CB SER A 43 5.113 -4.351 3.405 1.00 0.00 C ATOM 584 OG SER A 43 4.280 -5.362 2.854 1.00 0.00 O ATOM 0 H SER A 43 6.828 -2.727 3.018 1.00 0.00 H new ATOM 0 HA SER A 43 6.839 -5.386 4.249 1.00 0.00 H new ATOM 0 HB2 SER A 43 4.818 -4.140 4.433 1.00 0.00 H new ATOM 0 HB3 SER A 43 4.999 -3.423 2.844 1.00 0.00 H new ATOM 0 HG SER A 43 3.459 -5.434 3.384 1.00 0.00 H new ATOM 590 N LYS A 44 7.563 -5.271 1.192 1.00 0.00 N ATOM 591 CA LYS A 44 7.827 -6.103 -0.019 1.00 0.00 C ATOM 592 C LYS A 44 6.563 -6.198 -0.875 1.00 0.00 C ATOM 593 O LYS A 44 6.527 -6.891 -1.873 1.00 0.00 O ATOM 594 CB LYS A 44 8.225 -7.481 0.515 1.00 0.00 C ATOM 595 CG LYS A 44 9.070 -8.212 -0.531 1.00 0.00 C ATOM 596 CD LYS A 44 10.375 -7.448 -0.755 1.00 0.00 C ATOM 597 CE LYS A 44 10.254 -6.591 -2.017 1.00 0.00 C ATOM 598 NZ LYS A 44 11.083 -7.291 -3.036 1.00 0.00 N ATOM 0 H LYS A 44 8.016 -4.357 1.196 1.00 0.00 H new ATOM 0 HA LYS A 44 8.608 -5.678 -0.650 1.00 0.00 H new ATOM 0 HB2 LYS A 44 8.788 -7.374 1.442 1.00 0.00 H new ATOM 0 HB3 LYS A 44 7.334 -8.063 0.749 1.00 0.00 H new ATOM 0 HG2 LYS A 44 9.283 -9.227 -0.197 1.00 0.00 H new ATOM 0 HG3 LYS A 44 8.518 -8.294 -1.468 1.00 0.00 H new ATOM 0 HD2 LYS A 44 10.592 -6.817 0.107 1.00 0.00 H new ATOM 0 HD3 LYS A 44 11.205 -8.147 -0.855 1.00 0.00 H new ATOM 0 HE2 LYS A 44 9.216 -6.509 -2.341 1.00 0.00 H new ATOM 0 HE3 LYS A 44 10.615 -5.577 -1.842 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 11.051 -6.763 -3.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 12.067 -7.349 -2.703 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 10.712 -8.251 -3.186 1.00 0.00 H new ATOM 612 N LEU A 45 5.527 -5.501 -0.497 1.00 0.00 N ATOM 613 CA LEU A 45 4.267 -5.548 -1.292 1.00 0.00 C ATOM 614 C LEU A 45 4.350 -4.566 -2.461 1.00 0.00 C ATOM 615 O LEU A 45 5.137 -3.640 -2.439 1.00 0.00 O ATOM 616 CB LEU A 45 3.164 -5.129 -0.319 1.00 0.00 C ATOM 617 CG LEU A 45 2.672 -6.355 0.451 1.00 0.00 C ATOM 618 CD1 LEU A 45 1.680 -5.915 1.530 1.00 0.00 C ATOM 619 CD2 LEU A 45 1.980 -7.323 -0.513 1.00 0.00 C ATOM 0 H LEU A 45 5.498 -4.901 0.328 1.00 0.00 H new ATOM 0 HA LEU A 45 4.081 -6.536 -1.714 1.00 0.00 H new ATOM 0 HB2 LEU A 45 3.542 -4.378 0.375 1.00 0.00 H new ATOM 0 HB3 LEU A 45 2.338 -4.672 -0.864 1.00 0.00 H new ATOM 0 HG LEU A 45 3.521 -6.854 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 45 1.329 -6.788 2.079 1.00 0.00 H new ATOM 0 HD12 LEU A 45 2.172 -5.227 2.218 1.00 0.00 H new ATOM 0 HD13 LEU A 45 0.832 -5.415 1.062 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.630 -8.196 0.037 1.00 0.00 H new ATOM 0 HD22 LEU A 45 1.131 -6.825 -0.982 1.00 0.00 H new ATOM 0 HD23 LEU A 45 2.686 -7.638 -1.282 1.00 0.00 H new ATOM 631 N PRO A 46 3.529 -4.802 -3.447 1.00 0.00 N ATOM 632 CA PRO A 46 3.510 -3.924 -4.636 1.00 0.00 C ATOM 633 C PRO A 46 2.859 -2.581 -4.300 1.00 0.00 C ATOM 634 O PRO A 46 2.168 -2.443 -3.310 1.00 0.00 O ATOM 635 CB PRO A 46 2.676 -4.705 -5.646 1.00 0.00 C ATOM 636 CG PRO A 46 1.812 -5.609 -4.830 1.00 0.00 C ATOM 637 CD PRO A 46 2.554 -5.893 -3.546 1.00 0.00 C ATOM 0 HA PRO A 46 4.506 -3.687 -5.011 1.00 0.00 H new ATOM 0 HB2 PRO A 46 2.074 -4.035 -6.261 1.00 0.00 H new ATOM 0 HB3 PRO A 46 3.312 -5.275 -6.324 1.00 0.00 H new ATOM 0 HG2 PRO A 46 0.850 -5.139 -4.623 1.00 0.00 H new ATOM 0 HG3 PRO A 46 1.606 -6.534 -5.368 1.00 0.00 H new ATOM 0 HD2 PRO A 46 1.879 -5.904 -2.690 1.00 0.00 H new ATOM 0 HD3 PRO A 46 3.046 -6.865 -3.576 1.00 0.00 H new ATOM 645 N VAL A 47 3.079 -1.589 -5.117 1.00 0.00 N ATOM 646 CA VAL A 47 2.483 -0.250 -4.853 1.00 0.00 C ATOM 647 C VAL A 47 0.956 -0.334 -4.893 1.00 0.00 C ATOM 648 O VAL A 47 0.266 0.591 -4.507 1.00 0.00 O ATOM 649 CB VAL A 47 3.007 0.648 -5.976 1.00 0.00 C ATOM 650 CG1 VAL A 47 2.149 1.912 -6.067 1.00 0.00 C ATOM 651 CG2 VAL A 47 4.456 1.040 -5.675 1.00 0.00 C ATOM 0 H VAL A 47 3.649 -1.649 -5.961 1.00 0.00 H new ATOM 0 HA VAL A 47 2.751 0.135 -3.869 1.00 0.00 H new ATOM 0 HB VAL A 47 2.960 0.110 -6.923 1.00 0.00 H new ATOM 0 HG11 VAL A 47 2.524 2.550 -6.867 1.00 0.00 H new ATOM 0 HG12 VAL A 47 1.116 1.636 -6.277 1.00 0.00 H new ATOM 0 HG13 VAL A 47 2.195 2.452 -5.121 1.00 0.00 H new ATOM 0 HG21 VAL A 47 4.833 1.680 -6.473 1.00 0.00 H new ATOM 0 HG22 VAL A 47 4.498 1.578 -4.728 1.00 0.00 H new ATOM 0 HG23 VAL A 47 5.070 0.142 -5.610 1.00 0.00 H new ATOM 661 N ASP A 48 0.417 -1.438 -5.334 1.00 0.00 N ATOM 662 CA ASP A 48 -1.060 -1.571 -5.365 1.00 0.00 C ATOM 663 C ASP A 48 -1.547 -1.724 -3.936 1.00 0.00 C ATOM 664 O ASP A 48 -2.552 -1.168 -3.540 1.00 0.00 O ATOM 665 CB ASP A 48 -1.338 -2.834 -6.162 1.00 0.00 C ATOM 666 CG ASP A 48 -1.783 -2.461 -7.577 1.00 0.00 C ATOM 667 OD1 ASP A 48 -0.929 -2.113 -8.374 1.00 0.00 O ATOM 668 OD2 ASP A 48 -2.973 -2.530 -7.840 1.00 0.00 O ATOM 0 H ASP A 48 0.936 -2.248 -5.672 1.00 0.00 H new ATOM 0 HA ASP A 48 -1.561 -0.712 -5.811 1.00 0.00 H new ATOM 0 HB2 ASP A 48 -0.443 -3.454 -6.203 1.00 0.00 H new ATOM 0 HB3 ASP A 48 -2.112 -3.423 -5.670 1.00 0.00 H new ATOM 673 N ILE A 49 -0.811 -2.458 -3.150 1.00 0.00 N ATOM 674 CA ILE A 49 -1.202 -2.621 -1.732 1.00 0.00 C ATOM 675 C ILE A 49 -1.047 -1.271 -1.051 1.00 0.00 C ATOM 676 O ILE A 49 -1.922 -0.796 -0.356 1.00 0.00 O ATOM 677 CB ILE A 49 -0.219 -3.627 -1.133 1.00 0.00 C ATOM 678 CG1 ILE A 49 -0.100 -4.851 -2.041 1.00 0.00 C ATOM 679 CG2 ILE A 49 -0.721 -4.065 0.243 1.00 0.00 C ATOM 680 CD1 ILE A 49 -1.494 -5.366 -2.396 1.00 0.00 C ATOM 0 H ILE A 49 0.039 -2.948 -3.430 1.00 0.00 H new ATOM 0 HA ILE A 49 -2.229 -2.967 -1.612 1.00 0.00 H new ATOM 0 HB ILE A 49 0.760 -3.157 -1.039 1.00 0.00 H new ATOM 0 HG12 ILE A 49 0.444 -4.591 -2.949 1.00 0.00 H new ATOM 0 HG13 ILE A 49 0.471 -5.633 -1.540 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -0.023 -4.783 0.674 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -0.797 -3.196 0.896 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -1.702 -4.529 0.142 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -1.406 -6.238 -3.043 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -2.023 -5.643 -1.484 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -2.050 -4.584 -2.914 1.00 0.00 H new ATOM 692 N LEU A 50 0.072 -0.645 -1.278 1.00 0.00 N ATOM 693 CA LEU A 50 0.322 0.692 -0.679 1.00 0.00 C ATOM 694 C LEU A 50 -0.678 1.696 -1.251 1.00 0.00 C ATOM 695 O LEU A 50 -0.930 2.735 -0.674 1.00 0.00 O ATOM 696 CB LEU A 50 1.755 1.053 -1.094 1.00 0.00 C ATOM 697 CG LEU A 50 2.684 -0.155 -0.912 1.00 0.00 C ATOM 698 CD1 LEU A 50 4.133 0.327 -0.828 1.00 0.00 C ATOM 699 CD2 LEU A 50 2.327 -0.904 0.377 1.00 0.00 C ATOM 0 H LEU A 50 0.830 -1.006 -1.858 1.00 0.00 H new ATOM 0 HA LEU A 50 0.207 0.700 0.405 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.769 1.377 -2.135 1.00 0.00 H new ATOM 0 HB3 LEU A 50 2.114 1.890 -0.495 1.00 0.00 H new ATOM 0 HG LEU A 50 2.564 -0.826 -1.762 1.00 0.00 H new ATOM 0 HD11 LEU A 50 4.794 -0.530 -0.699 1.00 0.00 H new ATOM 0 HD12 LEU A 50 4.395 0.853 -1.746 1.00 0.00 H new ATOM 0 HD13 LEU A 50 4.243 1.002 0.021 1.00 0.00 H new ATOM 0 HD21 LEU A 50 2.992 -1.759 0.497 1.00 0.00 H new ATOM 0 HD22 LEU A 50 2.440 -0.235 1.230 1.00 0.00 H new ATOM 0 HD23 LEU A 50 1.295 -1.251 0.322 1.00 0.00 H new ATOM 711 N GLY A 51 -1.261 1.386 -2.379 1.00 0.00 N ATOM 712 CA GLY A 51 -2.256 2.316 -2.977 1.00 0.00 C ATOM 713 C GLY A 51 -3.626 2.004 -2.384 1.00 0.00 C ATOM 714 O GLY A 51 -4.448 2.879 -2.182 1.00 0.00 O ATOM 0 H GLY A 51 -1.090 0.531 -2.909 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -1.980 3.350 -2.770 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -2.277 2.202 -4.061 1.00 0.00 H new ATOM 718 N ARG A 52 -3.869 0.759 -2.085 1.00 0.00 N ATOM 719 CA ARG A 52 -5.170 0.376 -1.491 1.00 0.00 C ATOM 720 C ARG A 52 -5.069 0.448 0.025 1.00 0.00 C ATOM 721 O ARG A 52 -5.837 1.129 0.677 1.00 0.00 O ATOM 722 CB ARG A 52 -5.409 -1.060 -1.948 1.00 0.00 C ATOM 723 CG ARG A 52 -6.853 -1.213 -2.424 1.00 0.00 C ATOM 724 CD ARG A 52 -7.295 -2.664 -2.241 1.00 0.00 C ATOM 725 NE ARG A 52 -7.257 -3.252 -3.609 1.00 0.00 N ATOM 726 CZ ARG A 52 -6.152 -3.771 -4.065 1.00 0.00 C ATOM 727 NH1 ARG A 52 -5.629 -4.811 -3.476 1.00 0.00 N ATOM 728 NH2 ARG A 52 -5.570 -3.252 -5.111 1.00 0.00 N ATOM 0 H ARG A 52 -3.216 -0.011 -2.229 1.00 0.00 H new ATOM 0 HA ARG A 52 -5.985 1.032 -1.797 1.00 0.00 H new ATOM 0 HB2 ARG A 52 -4.721 -1.315 -2.754 1.00 0.00 H new ATOM 0 HB3 ARG A 52 -5.210 -1.751 -1.129 1.00 0.00 H new ATOM 0 HG2 ARG A 52 -7.506 -0.548 -1.859 1.00 0.00 H new ATOM 0 HG3 ARG A 52 -6.935 -0.926 -3.472 1.00 0.00 H new ATOM 0 HD2 ARG A 52 -6.629 -3.197 -1.563 1.00 0.00 H new ATOM 0 HD3 ARG A 52 -8.296 -2.721 -1.814 1.00 0.00 H new ATOM 0 HE ARG A 52 -8.096 -3.248 -4.189 1.00 0.00 H new ATOM 0 HH11 ARG A 52 -6.085 -5.217 -2.659 1.00 0.00 H new ATOM 0 HH12 ARG A 52 -4.764 -5.218 -3.832 1.00 0.00 H new ATOM 0 HH21 ARG A 52 -5.980 -2.440 -5.572 1.00 0.00 H new ATOM 0 HH22 ARG A 52 -4.705 -3.658 -5.468 1.00 0.00 H new ATOM 742 N VAL A 53 -4.118 -0.236 0.596 1.00 0.00 N ATOM 743 CA VAL A 53 -3.974 -0.183 2.069 1.00 0.00 C ATOM 744 C VAL A 53 -3.989 1.273 2.517 1.00 0.00 C ATOM 745 O VAL A 53 -4.629 1.624 3.487 1.00 0.00 O ATOM 746 CB VAL A 53 -2.627 -0.835 2.380 1.00 0.00 C ATOM 747 CG1 VAL A 53 -2.214 -0.496 3.815 1.00 0.00 C ATOM 748 CG2 VAL A 53 -2.761 -2.351 2.233 1.00 0.00 C ATOM 0 H VAL A 53 -3.442 -0.823 0.108 1.00 0.00 H new ATOM 0 HA VAL A 53 -4.782 -0.698 2.588 1.00 0.00 H new ATOM 0 HB VAL A 53 -1.870 -0.463 1.690 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -1.253 -0.961 4.037 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -2.127 0.585 3.923 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -2.967 -0.871 4.508 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.804 -2.824 2.453 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -3.516 -2.719 2.928 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -3.059 -2.593 1.213 1.00 0.00 H new ATOM 758 N TRP A 54 -3.303 2.129 1.806 1.00 0.00 N ATOM 759 CA TRP A 54 -3.295 3.567 2.186 1.00 0.00 C ATOM 760 C TRP A 54 -4.721 4.110 2.172 1.00 0.00 C ATOM 761 O TRP A 54 -5.225 4.579 3.172 1.00 0.00 O ATOM 762 CB TRP A 54 -2.449 4.276 1.131 1.00 0.00 C ATOM 763 CG TRP A 54 -2.563 5.749 1.346 1.00 0.00 C ATOM 764 CD1 TRP A 54 -3.624 6.504 0.986 1.00 0.00 C ATOM 765 CD2 TRP A 54 -1.611 6.654 1.977 1.00 0.00 C ATOM 766 NE1 TRP A 54 -3.388 7.814 1.355 1.00 0.00 N ATOM 767 CE2 TRP A 54 -2.158 7.959 1.966 1.00 0.00 C ATOM 768 CE3 TRP A 54 -0.339 6.472 2.548 1.00 0.00 C ATOM 769 CZ2 TRP A 54 -1.468 9.045 2.507 1.00 0.00 C ATOM 770 CZ3 TRP A 54 0.359 7.563 3.092 1.00 0.00 C ATOM 771 CH2 TRP A 54 -0.205 8.847 3.070 1.00 0.00 C ATOM 0 H TRP A 54 -2.751 1.893 0.982 1.00 0.00 H new ATOM 0 HA TRP A 54 -2.891 3.721 3.187 1.00 0.00 H new ATOM 0 HB2 TRP A 54 -1.408 3.961 1.206 1.00 0.00 H new ATOM 0 HB3 TRP A 54 -2.791 4.011 0.130 1.00 0.00 H new ATOM 0 HD1 TRP A 54 -4.513 6.142 0.490 1.00 0.00 H new ATOM 0 HE1 TRP A 54 -4.042 8.580 1.196 1.00 0.00 H new ATOM 0 HE3 TRP A 54 0.104 5.487 2.568 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 -1.907 10.031 2.490 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 1.335 7.412 3.529 1.00 0.00 H new ATOM 0 HH2 TRP A 54 0.337 9.682 3.488 1.00 0.00 H new ATOM 782 N GLU A 55 -5.379 4.045 1.049 1.00 0.00 N ATOM 783 CA GLU A 55 -6.780 4.553 0.984 1.00 0.00 C ATOM 784 C GLU A 55 -7.560 4.083 2.213 1.00 0.00 C ATOM 785 O GLU A 55 -8.198 4.860 2.893 1.00 0.00 O ATOM 786 CB GLU A 55 -7.370 3.953 -0.290 1.00 0.00 C ATOM 787 CG GLU A 55 -6.842 4.717 -1.506 1.00 0.00 C ATOM 788 CD GLU A 55 -7.997 5.452 -2.189 1.00 0.00 C ATOM 789 OE1 GLU A 55 -9.112 4.962 -2.115 1.00 0.00 O ATOM 790 OE2 GLU A 55 -7.748 6.493 -2.774 1.00 0.00 O ATOM 0 H GLU A 55 -5.011 3.665 0.177 1.00 0.00 H new ATOM 0 HA GLU A 55 -6.825 5.642 0.971 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -7.103 2.899 -0.366 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -8.458 4.005 -0.259 1.00 0.00 H new ATOM 0 HG2 GLU A 55 -6.076 5.429 -1.197 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -6.372 4.027 -2.206 1.00 0.00 H new ATOM 797 N LEU A 56 -7.503 2.815 2.505 1.00 0.00 N ATOM 798 CA LEU A 56 -8.228 2.288 3.696 1.00 0.00 C ATOM 799 C LEU A 56 -7.473 2.683 4.973 1.00 0.00 C ATOM 800 O LEU A 56 -7.993 2.598 6.069 1.00 0.00 O ATOM 801 CB LEU A 56 -8.238 0.769 3.517 1.00 0.00 C ATOM 802 CG LEU A 56 -8.813 0.415 2.143 1.00 0.00 C ATOM 803 CD1 LEU A 56 -7.970 -0.697 1.518 1.00 0.00 C ATOM 804 CD2 LEU A 56 -10.258 -0.068 2.302 1.00 0.00 C ATOM 0 H LEU A 56 -6.985 2.118 1.970 1.00 0.00 H new ATOM 0 HA LEU A 56 -9.239 2.686 3.784 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -7.226 0.375 3.611 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -8.835 0.305 4.302 1.00 0.00 H new ATOM 0 HG LEU A 56 -8.795 1.295 1.500 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -8.375 -0.954 0.539 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -6.941 -0.355 1.407 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -7.993 -1.576 2.162 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -10.667 -0.320 1.324 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -10.278 -0.950 2.942 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -10.858 0.722 2.754 1.00 0.00 H new ATOM 816 N SER A 57 -6.248 3.119 4.830 1.00 0.00 N ATOM 817 CA SER A 57 -5.442 3.530 6.019 1.00 0.00 C ATOM 818 C SER A 57 -5.542 5.042 6.234 1.00 0.00 C ATOM 819 O SER A 57 -5.369 5.532 7.329 1.00 0.00 O ATOM 820 CB SER A 57 -4.002 3.165 5.676 1.00 0.00 C ATOM 821 OG SER A 57 -3.132 4.121 6.266 1.00 0.00 O ATOM 0 H SER A 57 -5.768 3.209 3.934 1.00 0.00 H new ATOM 0 HA SER A 57 -5.793 3.041 6.928 1.00 0.00 H new ATOM 0 HB2 SER A 57 -3.769 2.166 6.043 1.00 0.00 H new ATOM 0 HB3 SER A 57 -3.865 3.147 4.595 1.00 0.00 H new ATOM 0 HG SER A 57 -2.333 4.224 5.709 1.00 0.00 H new ATOM 827 N ASP A 58 -5.804 5.784 5.192 1.00 0.00 N ATOM 828 CA ASP A 58 -5.899 7.266 5.328 1.00 0.00 C ATOM 829 C ASP A 58 -7.311 7.671 5.736 1.00 0.00 C ATOM 830 O ASP A 58 -8.094 8.139 4.934 1.00 0.00 O ATOM 831 CB ASP A 58 -5.564 7.813 3.939 1.00 0.00 C ATOM 832 CG ASP A 58 -4.691 9.062 4.077 1.00 0.00 C ATOM 833 OD1 ASP A 58 -4.689 9.645 5.148 1.00 0.00 O ATOM 834 OD2 ASP A 58 -4.039 9.414 3.107 1.00 0.00 O ATOM 0 H ASP A 58 -5.957 5.426 4.249 1.00 0.00 H new ATOM 0 HA ASP A 58 -5.226 7.654 6.093 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -5.042 7.055 3.355 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -6.481 8.055 3.401 1.00 0.00 H new ATOM 839 N ILE A 59 -7.642 7.494 6.981 1.00 0.00 N ATOM 840 CA ILE A 59 -9.002 7.865 7.447 1.00 0.00 C ATOM 841 C ILE A 59 -9.405 9.227 6.879 1.00 0.00 C ATOM 842 O ILE A 59 -10.556 9.467 6.574 1.00 0.00 O ATOM 843 CB ILE A 59 -8.896 7.942 8.968 1.00 0.00 C ATOM 844 CG1 ILE A 59 -8.556 6.561 9.536 1.00 0.00 C ATOM 845 CG2 ILE A 59 -10.231 8.415 9.540 1.00 0.00 C ATOM 846 CD1 ILE A 59 -9.672 5.576 9.192 1.00 0.00 C ATOM 0 H ILE A 59 -7.028 7.107 7.698 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.754 7.145 7.123 1.00 0.00 H new ATOM 0 HB ILE A 59 -8.108 8.644 9.242 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -7.609 6.211 9.125 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.432 6.622 10.617 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -10.162 8.472 10.626 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -10.470 9.400 9.139 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -11.015 7.711 9.263 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -9.428 4.594 9.597 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -10.610 5.924 9.624 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -9.775 5.506 8.109 1.00 0.00 H new ATOM 858 N ASP A 60 -8.468 10.124 6.744 1.00 0.00 N ATOM 859 CA ASP A 60 -8.808 11.474 6.203 1.00 0.00 C ATOM 860 C ASP A 60 -8.537 11.530 4.698 1.00 0.00 C ATOM 861 O ASP A 60 -9.166 12.273 3.972 1.00 0.00 O ATOM 862 CB ASP A 60 -7.893 12.449 6.947 1.00 0.00 C ATOM 863 CG ASP A 60 -7.811 12.059 8.425 1.00 0.00 C ATOM 864 OD1 ASP A 60 -8.747 11.441 8.907 1.00 0.00 O ATOM 865 OD2 ASP A 60 -6.815 12.382 9.049 1.00 0.00 O ATOM 0 H ASP A 60 -7.486 9.984 6.983 1.00 0.00 H new ATOM 0 HA ASP A 60 -9.861 11.716 6.345 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -6.898 12.438 6.503 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -8.274 13.466 6.850 1.00 0.00 H new ATOM 870 N HIS A 61 -7.603 10.755 4.225 1.00 0.00 N ATOM 871 CA HIS A 61 -7.293 10.772 2.766 1.00 0.00 C ATOM 872 C HIS A 61 -6.798 12.163 2.360 1.00 0.00 C ATOM 873 O HIS A 61 -7.109 12.659 1.295 1.00 0.00 O ATOM 874 CB HIS A 61 -8.617 10.454 2.067 1.00 0.00 C ATOM 875 CG HIS A 61 -9.321 9.334 2.787 1.00 0.00 C ATOM 876 ND1 HIS A 61 -9.189 8.009 2.403 1.00 0.00 N ATOM 877 CD2 HIS A 61 -10.169 9.330 3.868 1.00 0.00 C ATOM 878 CE1 HIS A 61 -9.942 7.269 3.238 1.00 0.00 C ATOM 879 NE2 HIS A 61 -10.559 8.025 4.150 1.00 0.00 N ATOM 0 H HIS A 61 -7.041 10.111 4.782 1.00 0.00 H new ATOM 0 HA HIS A 61 -6.515 10.057 2.500 1.00 0.00 H new ATOM 0 HB2 HIS A 61 -9.250 11.341 2.048 1.00 0.00 H new ATOM 0 HB3 HIS A 61 -8.432 10.172 1.030 1.00 0.00 H new ATOM 0 HD2 HIS A 61 -10.484 10.206 4.415 1.00 0.00 H new ATOM 0 HE1 HIS A 61 -10.036 6.195 3.178 1.00 0.00 H new ATOM 0 HE2 HIS A 61 -11.183 7.712 4.894 1.00 0.00 H new ATOM 887 N ASP A 62 -6.039 12.798 3.209 1.00 0.00 N ATOM 888 CA ASP A 62 -5.531 14.161 2.884 1.00 0.00 C ATOM 889 C ASP A 62 -4.103 14.083 2.333 1.00 0.00 C ATOM 890 O ASP A 62 -3.593 15.030 1.768 1.00 0.00 O ATOM 891 CB ASP A 62 -5.562 14.914 4.215 1.00 0.00 C ATOM 892 CG ASP A 62 -4.373 14.488 5.080 1.00 0.00 C ATOM 893 OD1 ASP A 62 -4.058 13.309 5.080 1.00 0.00 O ATOM 894 OD2 ASP A 62 -3.798 15.348 5.727 1.00 0.00 O ATOM 0 H ASP A 62 -5.748 12.432 4.115 1.00 0.00 H new ATOM 0 HA ASP A 62 -6.129 14.657 2.120 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.527 15.989 4.036 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -6.496 14.708 4.738 1.00 0.00 H new ATOM 899 N GLY A 63 -3.454 12.963 2.497 1.00 0.00 N ATOM 900 CA GLY A 63 -2.063 12.830 1.983 1.00 0.00 C ATOM 901 C GLY A 63 -1.131 12.394 3.115 1.00 0.00 C ATOM 902 O GLY A 63 0.066 12.280 2.935 1.00 0.00 O ATOM 0 H GLY A 63 -3.826 12.136 2.964 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -2.033 12.100 1.174 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -1.726 13.780 1.568 1.00 0.00 H new ATOM 906 N MET A 64 -1.664 12.140 4.281 1.00 0.00 N ATOM 907 CA MET A 64 -0.793 11.701 5.415 1.00 0.00 C ATOM 908 C MET A 64 -1.567 10.776 6.356 1.00 0.00 C ATOM 909 O MET A 64 -2.780 10.748 6.357 1.00 0.00 O ATOM 910 CB MET A 64 -0.363 12.961 6.188 1.00 0.00 C ATOM 911 CG MET A 64 -0.474 14.209 5.318 1.00 0.00 C ATOM 912 SD MET A 64 0.356 15.596 6.135 1.00 0.00 S ATOM 913 CE MET A 64 2.044 14.954 6.029 1.00 0.00 C ATOM 0 H MET A 64 -2.658 12.216 4.498 1.00 0.00 H new ATOM 0 HA MET A 64 0.071 11.159 5.031 1.00 0.00 H new ATOM 0 HB2 MET A 64 -0.986 13.077 7.075 1.00 0.00 H new ATOM 0 HB3 MET A 64 0.664 12.846 6.533 1.00 0.00 H new ATOM 0 HG2 MET A 64 -0.023 14.026 4.343 1.00 0.00 H new ATOM 0 HG3 MET A 64 -1.522 14.451 5.144 1.00 0.00 H new ATOM 0 HE1 MET A 64 2.442 14.810 7.033 1.00 0.00 H new ATOM 0 HE2 MET A 64 2.038 14.001 5.501 1.00 0.00 H new ATOM 0 HE3 MET A 64 2.670 15.664 5.489 1.00 0.00 H new ATOM 923 N LEU A 65 -0.872 10.030 7.168 1.00 0.00 N ATOM 924 CA LEU A 65 -1.562 9.119 8.126 1.00 0.00 C ATOM 925 C LEU A 65 -1.312 9.596 9.561 1.00 0.00 C ATOM 926 O LEU A 65 -0.188 9.651 10.015 1.00 0.00 O ATOM 927 CB LEU A 65 -0.917 7.753 7.910 1.00 0.00 C ATOM 928 CG LEU A 65 -1.340 7.189 6.556 1.00 0.00 C ATOM 929 CD1 LEU A 65 -0.378 6.070 6.151 1.00 0.00 C ATOM 930 CD2 LEU A 65 -2.760 6.631 6.659 1.00 0.00 C ATOM 0 H LEU A 65 0.147 10.011 7.210 1.00 0.00 H new ATOM 0 HA LEU A 65 -2.640 9.091 7.969 1.00 0.00 H new ATOM 0 HB2 LEU A 65 0.168 7.842 7.954 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.213 7.071 8.707 1.00 0.00 H new ATOM 0 HG LEU A 65 -1.315 7.979 5.806 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -0.677 5.665 5.184 1.00 0.00 H new ATOM 0 HD12 LEU A 65 0.634 6.468 6.080 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -0.405 5.279 6.900 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -3.063 6.228 5.693 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -2.786 5.839 7.407 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -3.444 7.428 6.951 1.00 0.00 H new ATOM 942 N ASP A 66 -2.346 9.940 10.276 1.00 0.00 N ATOM 943 CA ASP A 66 -2.152 10.410 11.676 1.00 0.00 C ATOM 944 C ASP A 66 -1.700 9.241 12.552 1.00 0.00 C ATOM 945 O ASP A 66 -1.979 8.097 12.254 1.00 0.00 O ATOM 946 CB ASP A 66 -3.527 10.912 12.134 1.00 0.00 C ATOM 947 CG ASP A 66 -4.219 11.683 11.003 1.00 0.00 C ATOM 948 OD1 ASP A 66 -3.558 11.994 10.027 1.00 0.00 O ATOM 949 OD2 ASP A 66 -5.401 11.953 11.137 1.00 0.00 O ATOM 0 H ASP A 66 -3.313 9.916 9.954 1.00 0.00 H new ATOM 0 HA ASP A 66 -1.394 11.190 11.747 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -4.146 10.068 12.439 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -3.414 11.556 13.006 1.00 0.00 H new ATOM 954 N ARG A 67 -1.003 9.521 13.624 1.00 0.00 N ATOM 955 CA ARG A 67 -0.526 8.426 14.528 1.00 0.00 C ATOM 956 C ARG A 67 -1.539 7.279 14.585 1.00 0.00 C ATOM 957 O ARG A 67 -1.189 6.118 14.493 1.00 0.00 O ATOM 958 CB ARG A 67 -0.395 9.082 15.901 1.00 0.00 C ATOM 959 CG ARG A 67 -1.726 9.732 16.278 1.00 0.00 C ATOM 960 CD ARG A 67 -1.528 10.646 17.488 1.00 0.00 C ATOM 961 NE ARG A 67 -1.031 11.931 16.922 1.00 0.00 N ATOM 962 CZ ARG A 67 -1.828 12.961 16.849 1.00 0.00 C ATOM 963 NH1 ARG A 67 -2.963 12.864 16.212 1.00 0.00 N ATOM 964 NH2 ARG A 67 -1.493 14.087 17.417 1.00 0.00 N ATOM 0 H ARG A 67 -0.742 10.463 13.914 1.00 0.00 H new ATOM 0 HA ARG A 67 0.412 7.994 14.179 1.00 0.00 H new ATOM 0 HB2 ARG A 67 -0.116 8.338 16.647 1.00 0.00 H new ATOM 0 HB3 ARG A 67 0.397 9.831 15.885 1.00 0.00 H new ATOM 0 HG2 ARG A 67 -2.113 10.306 15.436 1.00 0.00 H new ATOM 0 HG3 ARG A 67 -2.465 8.964 16.507 1.00 0.00 H new ATOM 0 HD2 ARG A 67 -2.462 10.789 18.032 1.00 0.00 H new ATOM 0 HD3 ARG A 67 -0.812 10.221 18.191 1.00 0.00 H new ATOM 0 HE ARG A 67 -0.069 12.005 16.592 1.00 0.00 H new ATOM 0 HH11 ARG A 67 -3.227 11.983 15.771 1.00 0.00 H new ATOM 0 HH12 ARG A 67 -3.586 13.669 16.155 1.00 0.00 H new ATOM 0 HH21 ARG A 67 -0.608 14.162 17.918 1.00 0.00 H new ATOM 0 HH22 ARG A 67 -2.116 14.892 17.360 1.00 0.00 H new ATOM 978 N ASP A 68 -2.793 7.598 14.720 1.00 0.00 N ATOM 979 CA ASP A 68 -3.830 6.527 14.773 1.00 0.00 C ATOM 980 C ASP A 68 -4.163 6.070 13.356 1.00 0.00 C ATOM 981 O ASP A 68 -4.433 4.911 13.107 1.00 0.00 O ATOM 982 CB ASP A 68 -5.047 7.179 15.429 1.00 0.00 C ATOM 983 CG ASP A 68 -5.109 6.783 16.905 1.00 0.00 C ATOM 984 OD1 ASP A 68 -4.176 7.101 17.623 1.00 0.00 O ATOM 985 OD2 ASP A 68 -6.091 6.170 17.293 1.00 0.00 O ATOM 0 H ASP A 68 -3.147 8.551 14.796 1.00 0.00 H new ATOM 0 HA ASP A 68 -3.499 5.650 15.329 1.00 0.00 H new ATOM 0 HB2 ASP A 68 -4.986 8.263 15.335 1.00 0.00 H new ATOM 0 HB3 ASP A 68 -5.958 6.866 14.920 1.00 0.00 H new ATOM 990 N GLU A 69 -4.130 6.978 12.424 1.00 0.00 N ATOM 991 CA GLU A 69 -4.426 6.616 11.018 1.00 0.00 C ATOM 992 C GLU A 69 -3.324 5.708 10.486 1.00 0.00 C ATOM 993 O GLU A 69 -3.579 4.638 9.968 1.00 0.00 O ATOM 994 CB GLU A 69 -4.428 7.944 10.273 1.00 0.00 C ATOM 995 CG GLU A 69 -5.573 7.954 9.272 1.00 0.00 C ATOM 996 CD GLU A 69 -5.618 9.303 8.553 1.00 0.00 C ATOM 997 OE1 GLU A 69 -5.461 10.312 9.219 1.00 0.00 O ATOM 998 OE2 GLU A 69 -5.808 9.303 7.348 1.00 0.00 O ATOM 0 H GLU A 69 -3.909 7.961 12.580 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.370 6.083 10.905 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -4.537 8.769 10.977 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -3.478 8.087 9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -5.443 7.150 8.548 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -6.518 7.772 9.784 1.00 0.00 H new ATOM 1005 N PHE A 70 -2.097 6.119 10.628 1.00 0.00 N ATOM 1006 CA PHE A 70 -0.979 5.274 10.149 1.00 0.00 C ATOM 1007 C PHE A 70 -1.132 3.883 10.749 1.00 0.00 C ATOM 1008 O PHE A 70 -0.688 2.903 10.192 1.00 0.00 O ATOM 1009 CB PHE A 70 0.286 5.953 10.672 1.00 0.00 C ATOM 1010 CG PHE A 70 1.500 5.195 10.192 1.00 0.00 C ATOM 1011 CD1 PHE A 70 1.951 5.357 8.878 1.00 0.00 C ATOM 1012 CD2 PHE A 70 2.174 4.331 11.062 1.00 0.00 C ATOM 1013 CE1 PHE A 70 3.076 4.655 8.433 1.00 0.00 C ATOM 1014 CE2 PHE A 70 3.300 3.628 10.617 1.00 0.00 C ATOM 1015 CZ PHE A 70 3.751 3.790 9.302 1.00 0.00 C ATOM 0 H PHE A 70 -1.823 7.004 11.055 1.00 0.00 H new ATOM 0 HA PHE A 70 -0.951 5.170 9.064 1.00 0.00 H new ATOM 0 HB2 PHE A 70 0.328 6.985 10.324 1.00 0.00 H new ATOM 0 HB3 PHE A 70 0.271 5.984 11.761 1.00 0.00 H new ATOM 0 HD1 PHE A 70 1.431 6.024 8.207 1.00 0.00 H new ATOM 0 HD2 PHE A 70 1.826 4.206 12.077 1.00 0.00 H new ATOM 0 HE1 PHE A 70 3.424 4.780 7.418 1.00 0.00 H new ATOM 0 HE2 PHE A 70 3.820 2.961 11.288 1.00 0.00 H new ATOM 0 HZ PHE A 70 4.619 3.248 8.958 1.00 0.00 H new ATOM 1025 N ALA A 71 -1.780 3.793 11.881 1.00 0.00 N ATOM 1026 CA ALA A 71 -1.980 2.463 12.521 1.00 0.00 C ATOM 1027 C ALA A 71 -2.807 1.567 11.605 1.00 0.00 C ATOM 1028 O ALA A 71 -2.497 0.408 11.394 1.00 0.00 O ATOM 1029 CB ALA A 71 -2.748 2.755 13.811 1.00 0.00 C ATOM 0 H ALA A 71 -2.178 4.583 12.388 1.00 0.00 H new ATOM 0 HA ALA A 71 -1.038 1.949 12.714 1.00 0.00 H new ATOM 0 HB1 ALA A 71 -2.935 1.822 14.342 1.00 0.00 H new ATOM 0 HB2 ALA A 71 -2.159 3.420 14.442 1.00 0.00 H new ATOM 0 HB3 ALA A 71 -3.698 3.231 13.569 1.00 0.00 H new ATOM 1035 N VAL A 72 -3.858 2.101 11.058 1.00 0.00 N ATOM 1036 CA VAL A 72 -4.719 1.295 10.149 1.00 0.00 C ATOM 1037 C VAL A 72 -3.901 0.803 8.948 1.00 0.00 C ATOM 1038 O VAL A 72 -4.220 -0.198 8.333 1.00 0.00 O ATOM 1039 CB VAL A 72 -5.816 2.263 9.694 1.00 0.00 C ATOM 1040 CG1 VAL A 72 -6.788 1.545 8.754 1.00 0.00 C ATOM 1041 CG2 VAL A 72 -6.585 2.775 10.916 1.00 0.00 C ATOM 0 H VAL A 72 -4.161 3.064 11.200 1.00 0.00 H new ATOM 0 HA VAL A 72 -5.129 0.410 10.636 1.00 0.00 H new ATOM 0 HB VAL A 72 -5.356 3.100 9.169 1.00 0.00 H new ATOM 0 HG11 VAL A 72 -7.565 2.239 8.435 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -6.247 1.179 7.881 1.00 0.00 H new ATOM 0 HG13 VAL A 72 -7.245 0.704 9.276 1.00 0.00 H new ATOM 0 HG21 VAL A 72 -7.365 3.464 10.592 1.00 0.00 H new ATOM 0 HG22 VAL A 72 -7.038 1.933 11.440 1.00 0.00 H new ATOM 0 HG23 VAL A 72 -5.899 3.293 11.587 1.00 0.00 H new ATOM 1051 N ALA A 73 -2.857 1.506 8.604 1.00 0.00 N ATOM 1052 CA ALA A 73 -2.033 1.088 7.431 1.00 0.00 C ATOM 1053 C ALA A 73 -0.942 0.087 7.825 1.00 0.00 C ATOM 1054 O ALA A 73 -0.318 -0.507 6.975 1.00 0.00 O ATOM 1055 CB ALA A 73 -1.402 2.379 6.921 1.00 0.00 C ATOM 0 H ALA A 73 -2.538 2.349 9.082 1.00 0.00 H new ATOM 0 HA ALA A 73 -2.642 0.586 6.679 1.00 0.00 H new ATOM 0 HB1 ALA A 73 -0.777 2.161 6.055 1.00 0.00 H new ATOM 0 HB2 ALA A 73 -2.187 3.079 6.635 1.00 0.00 H new ATOM 0 HB3 ALA A 73 -0.791 2.821 7.708 1.00 0.00 H new ATOM 1061 N MET A 74 -0.690 -0.114 9.086 1.00 0.00 N ATOM 1062 CA MET A 74 0.380 -1.089 9.451 1.00 0.00 C ATOM 1063 C MET A 74 -0.185 -2.505 9.505 1.00 0.00 C ATOM 1064 O MET A 74 0.458 -3.451 9.094 1.00 0.00 O ATOM 1065 CB MET A 74 0.900 -0.662 10.829 1.00 0.00 C ATOM 1066 CG MET A 74 1.011 0.867 10.927 1.00 0.00 C ATOM 1067 SD MET A 74 1.554 1.587 9.350 1.00 0.00 S ATOM 1068 CE MET A 74 2.929 0.457 9.021 1.00 0.00 C ATOM 0 H MET A 74 -1.164 0.341 9.866 1.00 0.00 H new ATOM 0 HA MET A 74 1.181 -1.093 8.712 1.00 0.00 H new ATOM 0 HB2 MET A 74 0.230 -1.032 11.605 1.00 0.00 H new ATOM 0 HB3 MET A 74 1.876 -1.113 11.009 1.00 0.00 H new ATOM 0 HG2 MET A 74 0.046 1.287 11.209 1.00 0.00 H new ATOM 0 HG3 MET A 74 1.717 1.134 11.714 1.00 0.00 H new ATOM 0 HE1 MET A 74 3.699 0.977 8.451 1.00 0.00 H new ATOM 0 HE2 MET A 74 3.349 0.110 9.965 1.00 0.00 H new ATOM 0 HE3 MET A 74 2.568 -0.398 8.449 1.00 0.00 H new ATOM 1078 N PHE A 75 -1.382 -2.668 9.986 1.00 0.00 N ATOM 1079 CA PHE A 75 -1.962 -4.035 10.030 1.00 0.00 C ATOM 1080 C PHE A 75 -2.454 -4.400 8.627 1.00 0.00 C ATOM 1081 O PHE A 75 -2.556 -5.557 8.269 1.00 0.00 O ATOM 1082 CB PHE A 75 -3.108 -3.967 11.048 1.00 0.00 C ATOM 1083 CG PHE A 75 -4.381 -3.525 10.371 1.00 0.00 C ATOM 1084 CD1 PHE A 75 -5.226 -4.476 9.790 1.00 0.00 C ATOM 1085 CD2 PHE A 75 -4.709 -2.168 10.319 1.00 0.00 C ATOM 1086 CE1 PHE A 75 -6.404 -4.069 9.158 1.00 0.00 C ATOM 1087 CE2 PHE A 75 -5.885 -1.760 9.685 1.00 0.00 C ATOM 1088 CZ PHE A 75 -6.735 -2.711 9.104 1.00 0.00 C ATOM 0 H PHE A 75 -1.978 -1.923 10.347 1.00 0.00 H new ATOM 0 HA PHE A 75 -1.247 -4.801 10.328 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.253 -4.944 11.509 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -2.853 -3.272 11.848 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.968 -5.524 9.830 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -4.055 -1.436 10.768 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -7.059 -4.803 8.711 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -6.139 -0.711 9.643 1.00 0.00 H new ATOM 0 HZ PHE A 75 -7.645 -2.396 8.615 1.00 0.00 H new ATOM 1098 N LEU A 76 -2.735 -3.408 7.821 1.00 0.00 N ATOM 1099 CA LEU A 76 -3.190 -3.682 6.430 1.00 0.00 C ATOM 1100 C LEU A 76 -1.988 -4.117 5.590 1.00 0.00 C ATOM 1101 O LEU A 76 -2.111 -4.863 4.639 1.00 0.00 O ATOM 1102 CB LEU A 76 -3.758 -2.352 5.925 1.00 0.00 C ATOM 1103 CG LEU A 76 -5.285 -2.368 6.046 1.00 0.00 C ATOM 1104 CD1 LEU A 76 -5.849 -1.032 5.560 1.00 0.00 C ATOM 1105 CD2 LEU A 76 -5.854 -3.501 5.189 1.00 0.00 C ATOM 0 H LEU A 76 -2.668 -2.421 8.069 1.00 0.00 H new ATOM 0 HA LEU A 76 -3.935 -4.476 6.373 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -3.346 -1.525 6.504 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -3.467 -2.191 4.887 1.00 0.00 H new ATOM 0 HG LEU A 76 -5.564 -2.524 7.088 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.936 -1.043 5.646 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -5.445 -0.223 6.169 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.569 -0.876 4.518 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -6.941 -3.512 5.275 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -5.574 -3.345 4.147 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -5.453 -4.454 5.533 1.00 0.00 H new ATOM 1117 N VAL A 77 -0.820 -3.657 5.950 1.00 0.00 N ATOM 1118 CA VAL A 77 0.407 -4.040 5.195 1.00 0.00 C ATOM 1119 C VAL A 77 1.026 -5.298 5.804 1.00 0.00 C ATOM 1120 O VAL A 77 1.708 -6.049 5.137 1.00 0.00 O ATOM 1121 CB VAL A 77 1.349 -2.841 5.346 1.00 0.00 C ATOM 1122 CG1 VAL A 77 2.757 -3.225 4.882 1.00 0.00 C ATOM 1123 CG2 VAL A 77 0.838 -1.681 4.486 1.00 0.00 C ATOM 0 H VAL A 77 -0.663 -3.029 6.739 1.00 0.00 H new ATOM 0 HA VAL A 77 0.202 -4.266 4.149 1.00 0.00 H new ATOM 0 HB VAL A 77 1.381 -2.541 6.393 1.00 0.00 H new ATOM 0 HG11 VAL A 77 3.422 -2.369 4.992 1.00 0.00 H new ATOM 0 HG12 VAL A 77 3.127 -4.052 5.488 1.00 0.00 H new ATOM 0 HG13 VAL A 77 2.725 -3.528 3.835 1.00 0.00 H new ATOM 0 HG21 VAL A 77 1.507 -0.827 4.592 1.00 0.00 H new ATOM 0 HG22 VAL A 77 0.806 -1.989 3.441 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -0.163 -1.400 4.812 1.00 0.00 H new ATOM 1133 N TYR A 78 0.790 -5.537 7.067 1.00 0.00 N ATOM 1134 CA TYR A 78 1.365 -6.751 7.712 1.00 0.00 C ATOM 1135 C TYR A 78 0.464 -7.959 7.453 1.00 0.00 C ATOM 1136 O TYR A 78 0.910 -9.089 7.443 1.00 0.00 O ATOM 1137 CB TYR A 78 1.419 -6.425 9.204 1.00 0.00 C ATOM 1138 CG TYR A 78 2.841 -6.097 9.583 1.00 0.00 C ATOM 1139 CD1 TYR A 78 3.880 -6.946 9.186 1.00 0.00 C ATOM 1140 CD2 TYR A 78 3.120 -4.944 10.325 1.00 0.00 C ATOM 1141 CE1 TYR A 78 5.202 -6.641 9.531 1.00 0.00 C ATOM 1142 CE2 TYR A 78 4.441 -4.639 10.672 1.00 0.00 C ATOM 1143 CZ TYR A 78 5.483 -5.487 10.274 1.00 0.00 C ATOM 1144 OH TYR A 78 6.786 -5.186 10.615 1.00 0.00 O ATOM 0 H TYR A 78 0.226 -4.946 7.677 1.00 0.00 H new ATOM 0 HA TYR A 78 2.351 -7.001 7.320 1.00 0.00 H new ATOM 0 HB2 TYR A 78 0.765 -5.582 9.429 1.00 0.00 H new ATOM 0 HB3 TYR A 78 1.059 -7.272 9.788 1.00 0.00 H new ATOM 0 HD1 TYR A 78 3.662 -7.836 8.614 1.00 0.00 H new ATOM 0 HD2 TYR A 78 2.316 -4.290 10.630 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.005 -7.295 9.225 1.00 0.00 H new ATOM 0 HE2 TYR A 78 4.657 -3.750 11.246 1.00 0.00 H new ATOM 0 HH TYR A 78 6.805 -4.352 11.129 1.00 0.00 H new ATOM 1154 N CYS A 79 -0.799 -7.726 7.231 1.00 0.00 N ATOM 1155 CA CYS A 79 -1.727 -8.860 6.957 1.00 0.00 C ATOM 1156 C CYS A 79 -1.691 -9.199 5.465 1.00 0.00 C ATOM 1157 O CYS A 79 -2.148 -10.241 5.039 1.00 0.00 O ATOM 1158 CB CYS A 79 -3.110 -8.350 7.364 1.00 0.00 C ATOM 1159 SG CYS A 79 -3.232 -8.316 9.169 1.00 0.00 S ATOM 0 H CYS A 79 -1.229 -6.801 7.227 1.00 0.00 H new ATOM 0 HA CYS A 79 -1.459 -9.765 7.502 1.00 0.00 H new ATOM 0 HB2 CYS A 79 -3.275 -7.352 6.959 1.00 0.00 H new ATOM 0 HB3 CYS A 79 -3.884 -8.995 6.948 1.00 0.00 H new ATOM 0 HG CYS A 79 -3.077 -7.096 9.591 1.00 0.00 H new ATOM 1165 N ALA A 80 -1.134 -8.329 4.667 1.00 0.00 N ATOM 1166 CA ALA A 80 -1.052 -8.605 3.207 1.00 0.00 C ATOM 1167 C ALA A 80 0.114 -9.550 2.939 1.00 0.00 C ATOM 1168 O ALA A 80 0.225 -10.140 1.882 1.00 0.00 O ATOM 1169 CB ALA A 80 -0.803 -7.242 2.561 1.00 0.00 C ATOM 0 H ALA A 80 -0.733 -7.440 4.964 1.00 0.00 H new ATOM 0 HA ALA A 80 -1.952 -9.077 2.812 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -0.730 -7.360 1.480 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -1.629 -6.571 2.798 1.00 0.00 H new ATOM 0 HB3 ALA A 80 0.127 -6.822 2.944 1.00 0.00 H new ATOM 1175 N LEU A 81 0.989 -9.687 3.891 1.00 0.00 N ATOM 1176 CA LEU A 81 2.161 -10.581 3.705 1.00 0.00 C ATOM 1177 C LEU A 81 1.869 -11.992 4.213 1.00 0.00 C ATOM 1178 O LEU A 81 2.160 -12.971 3.557 1.00 0.00 O ATOM 1179 CB LEU A 81 3.274 -9.946 4.531 1.00 0.00 C ATOM 1180 CG LEU A 81 3.635 -8.587 3.940 1.00 0.00 C ATOM 1181 CD1 LEU A 81 3.791 -7.568 5.068 1.00 0.00 C ATOM 1182 CD2 LEU A 81 4.948 -8.707 3.168 1.00 0.00 C ATOM 0 H LEU A 81 0.943 -9.216 4.795 1.00 0.00 H new ATOM 0 HA LEU A 81 2.424 -10.681 2.652 1.00 0.00 H new ATOM 0 HB2 LEU A 81 2.952 -9.830 5.566 1.00 0.00 H new ATOM 0 HB3 LEU A 81 4.150 -10.595 4.540 1.00 0.00 H new ATOM 0 HG LEU A 81 2.846 -8.257 3.264 1.00 0.00 H new ATOM 0 HD11 LEU A 81 4.049 -6.596 4.647 1.00 0.00 H new ATOM 0 HD12 LEU A 81 2.853 -7.488 5.618 1.00 0.00 H new ATOM 0 HD13 LEU A 81 4.582 -7.892 5.744 1.00 0.00 H new ATOM 0 HD21 LEU A 81 5.210 -7.738 2.744 1.00 0.00 H new ATOM 0 HD22 LEU A 81 5.739 -9.033 3.844 1.00 0.00 H new ATOM 0 HD23 LEU A 81 4.833 -9.435 2.365 1.00 0.00 H new ATOM 1194 N GLU A 82 1.332 -12.104 5.394 1.00 0.00 N ATOM 1195 CA GLU A 82 1.068 -13.458 5.954 1.00 0.00 C ATOM 1196 C GLU A 82 -0.432 -13.708 6.175 1.00 0.00 C ATOM 1197 O GLU A 82 -0.870 -14.840 6.222 1.00 0.00 O ATOM 1198 CB GLU A 82 1.839 -13.472 7.287 1.00 0.00 C ATOM 1199 CG GLU A 82 1.120 -14.349 8.318 1.00 0.00 C ATOM 1200 CD GLU A 82 2.063 -14.638 9.488 1.00 0.00 C ATOM 1201 OE1 GLU A 82 3.015 -15.374 9.287 1.00 0.00 O ATOM 1202 OE2 GLU A 82 1.816 -14.121 10.565 1.00 0.00 O ATOM 0 H GLU A 82 1.066 -11.323 5.993 1.00 0.00 H new ATOM 0 HA GLU A 82 1.388 -14.249 5.275 1.00 0.00 H new ATOM 0 HB2 GLU A 82 2.850 -13.847 7.125 1.00 0.00 H new ATOM 0 HB3 GLU A 82 1.934 -12.456 7.669 1.00 0.00 H new ATOM 0 HG2 GLU A 82 0.222 -13.846 8.676 1.00 0.00 H new ATOM 0 HG3 GLU A 82 0.799 -15.283 7.856 1.00 0.00 H new ATOM 1209 N LYS A 83 -1.222 -12.685 6.326 1.00 0.00 N ATOM 1210 CA LYS A 83 -2.677 -12.925 6.562 1.00 0.00 C ATOM 1211 C LYS A 83 -3.435 -13.033 5.236 1.00 0.00 C ATOM 1212 O LYS A 83 -3.594 -14.107 4.690 1.00 0.00 O ATOM 1213 CB LYS A 83 -3.171 -11.730 7.379 1.00 0.00 C ATOM 1214 CG LYS A 83 -4.664 -11.900 7.669 1.00 0.00 C ATOM 1215 CD LYS A 83 -4.851 -12.402 9.103 1.00 0.00 C ATOM 1216 CE LYS A 83 -4.476 -13.884 9.181 1.00 0.00 C ATOM 1217 NZ LYS A 83 -5.645 -14.543 9.827 1.00 0.00 N ATOM 0 H LYS A 83 -0.934 -11.707 6.298 1.00 0.00 H new ATOM 0 HA LYS A 83 -2.845 -13.864 7.090 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -2.613 -11.657 8.313 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.998 -10.804 6.831 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -5.182 -10.950 7.534 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -5.104 -12.606 6.965 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -4.229 -11.823 9.786 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -5.885 -12.261 9.416 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -4.288 -14.296 8.190 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -3.567 -14.031 9.765 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -5.463 -15.563 9.916 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -5.795 -14.135 10.772 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -6.494 -14.392 9.245 1.00 0.00 H new ATOM 1231 N GLU A 84 -3.912 -11.938 4.714 1.00 0.00 N ATOM 1232 CA GLU A 84 -4.666 -11.998 3.428 1.00 0.00 C ATOM 1233 C GLU A 84 -4.469 -10.702 2.640 1.00 0.00 C ATOM 1234 O GLU A 84 -3.837 -9.782 3.113 1.00 0.00 O ATOM 1235 CB GLU A 84 -6.131 -12.162 3.835 1.00 0.00 C ATOM 1236 CG GLU A 84 -6.643 -13.523 3.362 1.00 0.00 C ATOM 1237 CD GLU A 84 -6.928 -14.412 4.574 1.00 0.00 C ATOM 1238 OE1 GLU A 84 -7.091 -13.871 5.655 1.00 0.00 O ATOM 1239 OE2 GLU A 84 -6.977 -15.619 4.400 1.00 0.00 O ATOM 0 H GLU A 84 -3.814 -11.007 5.119 1.00 0.00 H new ATOM 0 HA GLU A 84 -4.328 -12.813 2.788 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -6.230 -12.081 4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -6.732 -11.364 3.399 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -7.549 -13.396 2.770 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -5.904 -13.997 2.716 1.00 0.00 H new ATOM 1246 N PRO A 85 -5.023 -10.674 1.459 1.00 0.00 N ATOM 1247 CA PRO A 85 -4.904 -9.477 0.587 1.00 0.00 C ATOM 1248 C PRO A 85 -5.655 -8.291 1.196 1.00 0.00 C ATOM 1249 O PRO A 85 -6.220 -8.386 2.267 1.00 0.00 O ATOM 1250 CB PRO A 85 -5.541 -9.928 -0.727 1.00 0.00 C ATOM 1251 CG PRO A 85 -6.461 -11.039 -0.340 1.00 0.00 C ATOM 1252 CD PRO A 85 -5.815 -11.735 0.829 1.00 0.00 C ATOM 0 HA PRO A 85 -3.876 -9.138 0.457 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -6.084 -9.112 -1.204 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.787 -10.267 -1.437 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -7.444 -10.653 -0.068 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -6.608 -11.729 -1.171 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -6.558 -12.143 1.514 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -5.189 -12.566 0.506 1.00 0.00 H new ATOM 1260 N VAL A 86 -5.652 -7.169 0.529 1.00 0.00 N ATOM 1261 CA VAL A 86 -6.351 -5.975 1.083 1.00 0.00 C ATOM 1262 C VAL A 86 -7.414 -5.463 0.106 1.00 0.00 C ATOM 1263 O VAL A 86 -7.107 -5.120 -1.017 1.00 0.00 O ATOM 1264 CB VAL A 86 -5.252 -4.929 1.258 1.00 0.00 C ATOM 1265 CG1 VAL A 86 -5.885 -3.575 1.579 1.00 0.00 C ATOM 1266 CG2 VAL A 86 -4.327 -5.344 2.405 1.00 0.00 C ATOM 0 H VAL A 86 -5.197 -7.028 -0.373 1.00 0.00 H new ATOM 0 HA VAL A 86 -6.867 -6.202 2.016 1.00 0.00 H new ATOM 0 HB VAL A 86 -4.675 -4.852 0.337 1.00 0.00 H new ATOM 0 HG11 VAL A 86 -5.102 -2.828 1.704 1.00 0.00 H new ATOM 0 HG12 VAL A 86 -6.543 -3.278 0.762 1.00 0.00 H new ATOM 0 HG13 VAL A 86 -6.463 -3.653 2.500 1.00 0.00 H new ATOM 0 HG21 VAL A 86 -3.543 -4.597 2.529 1.00 0.00 H new ATOM 0 HG22 VAL A 86 -4.903 -5.422 3.327 1.00 0.00 H new ATOM 0 HG23 VAL A 86 -3.875 -6.309 2.177 1.00 0.00 H new ATOM 1276 N PRO A 87 -8.632 -5.412 0.576 1.00 0.00 N ATOM 1277 CA PRO A 87 -9.749 -4.914 -0.256 1.00 0.00 C ATOM 1278 C PRO A 87 -9.798 -3.383 -0.191 1.00 0.00 C ATOM 1279 O PRO A 87 -9.262 -2.779 0.716 1.00 0.00 O ATOM 1280 CB PRO A 87 -10.981 -5.518 0.407 1.00 0.00 C ATOM 1281 CG PRO A 87 -10.590 -5.760 1.837 1.00 0.00 C ATOM 1282 CD PRO A 87 -9.081 -5.818 1.910 1.00 0.00 C ATOM 0 HA PRO A 87 -9.663 -5.183 -1.309 1.00 0.00 H new ATOM 0 HB2 PRO A 87 -11.833 -4.841 0.342 1.00 0.00 H new ATOM 0 HB3 PRO A 87 -11.274 -6.447 -0.082 1.00 0.00 H new ATOM 0 HG2 PRO A 87 -10.971 -4.963 2.476 1.00 0.00 H new ATOM 0 HG3 PRO A 87 -11.024 -6.693 2.197 1.00 0.00 H new ATOM 0 HD2 PRO A 87 -8.695 -5.149 2.679 1.00 0.00 H new ATOM 0 HD3 PRO A 87 -8.734 -6.821 2.157 1.00 0.00 H new ATOM 1290 N MET A 88 -10.439 -2.748 -1.136 1.00 0.00 N ATOM 1291 CA MET A 88 -10.513 -1.257 -1.102 1.00 0.00 C ATOM 1292 C MET A 88 -11.636 -0.807 -0.181 1.00 0.00 C ATOM 1293 O MET A 88 -12.018 0.348 -0.177 1.00 0.00 O ATOM 1294 CB MET A 88 -10.851 -0.822 -2.521 1.00 0.00 C ATOM 1295 CG MET A 88 -9.662 -1.080 -3.448 1.00 0.00 C ATOM 1296 SD MET A 88 -10.184 -0.871 -5.168 1.00 0.00 S ATOM 1297 CE MET A 88 -9.866 0.907 -5.283 1.00 0.00 C ATOM 0 H MET A 88 -10.911 -3.192 -1.924 1.00 0.00 H new ATOM 0 HA MET A 88 -9.577 -0.829 -0.743 1.00 0.00 H new ATOM 0 HB2 MET A 88 -11.725 -1.367 -2.878 1.00 0.00 H new ATOM 0 HB3 MET A 88 -11.108 0.237 -2.533 1.00 0.00 H new ATOM 0 HG2 MET A 88 -8.850 -0.391 -3.217 1.00 0.00 H new ATOM 0 HG3 MET A 88 -9.278 -2.088 -3.293 1.00 0.00 H new ATOM 0 HE1 MET A 88 -10.123 1.259 -6.282 1.00 0.00 H new ATOM 0 HE2 MET A 88 -10.472 1.433 -4.546 1.00 0.00 H new ATOM 0 HE3 MET A 88 -8.811 1.101 -5.090 1.00 0.00 H new ATOM 1307 N SER A 89 -12.191 -1.695 0.584 1.00 0.00 N ATOM 1308 CA SER A 89 -13.301 -1.283 1.465 1.00 0.00 C ATOM 1309 C SER A 89 -12.806 -1.062 2.882 1.00 0.00 C ATOM 1310 O SER A 89 -12.412 -1.979 3.571 1.00 0.00 O ATOM 1311 CB SER A 89 -14.304 -2.431 1.418 1.00 0.00 C ATOM 1312 OG SER A 89 -15.097 -2.315 0.244 1.00 0.00 O ATOM 0 H SER A 89 -11.926 -2.679 0.636 1.00 0.00 H new ATOM 0 HA SER A 89 -13.747 -0.343 1.140 1.00 0.00 H new ATOM 0 HB2 SER A 89 -13.780 -3.387 1.424 1.00 0.00 H new ATOM 0 HB3 SER A 89 -14.939 -2.410 2.303 1.00 0.00 H new ATOM 0 HG SER A 89 -15.741 -3.053 0.210 1.00 0.00 H new ATOM 1318 N LEU A 90 -12.837 0.158 3.318 1.00 0.00 N ATOM 1319 CA LEU A 90 -12.398 0.469 4.697 1.00 0.00 C ATOM 1320 C LEU A 90 -13.655 0.628 5.567 1.00 0.00 C ATOM 1321 O LEU A 90 -14.172 1.711 5.742 1.00 0.00 O ATOM 1322 CB LEU A 90 -11.579 1.764 4.549 1.00 0.00 C ATOM 1323 CG LEU A 90 -11.817 2.715 5.721 1.00 0.00 C ATOM 1324 CD1 LEU A 90 -11.686 1.958 7.047 1.00 0.00 C ATOM 1325 CD2 LEU A 90 -10.777 3.836 5.680 1.00 0.00 C ATOM 0 H LEU A 90 -13.151 0.961 2.773 1.00 0.00 H new ATOM 0 HA LEU A 90 -11.791 -0.297 5.179 1.00 0.00 H new ATOM 0 HB2 LEU A 90 -10.519 1.520 4.487 1.00 0.00 H new ATOM 0 HB3 LEU A 90 -11.847 2.260 3.616 1.00 0.00 H new ATOM 0 HG LEU A 90 -12.821 3.133 5.643 1.00 0.00 H new ATOM 0 HD11 LEU A 90 -11.857 2.644 7.876 1.00 0.00 H new ATOM 0 HD12 LEU A 90 -12.423 1.155 7.082 1.00 0.00 H new ATOM 0 HD13 LEU A 90 -10.685 1.535 7.127 1.00 0.00 H new ATOM 0 HD21 LEU A 90 -10.943 4.517 6.515 1.00 0.00 H new ATOM 0 HD22 LEU A 90 -9.777 3.408 5.754 1.00 0.00 H new ATOM 0 HD23 LEU A 90 -10.868 4.383 4.742 1.00 0.00 H new ATOM 1337 N PRO A 91 -14.126 -0.487 6.057 1.00 0.00 N ATOM 1338 CA PRO A 91 -15.356 -0.508 6.896 1.00 0.00 C ATOM 1339 C PRO A 91 -15.170 0.298 8.183 1.00 0.00 C ATOM 1340 O PRO A 91 -14.090 0.775 8.472 1.00 0.00 O ATOM 1341 CB PRO A 91 -15.557 -1.997 7.187 1.00 0.00 C ATOM 1342 CG PRO A 91 -14.199 -2.593 7.022 1.00 0.00 C ATOM 1343 CD PRO A 91 -13.567 -1.832 5.891 1.00 0.00 C ATOM 0 HA PRO A 91 -16.215 -0.053 6.403 1.00 0.00 H new ATOM 0 HB2 PRO A 91 -15.942 -2.157 8.194 1.00 0.00 H new ATOM 0 HB3 PRO A 91 -16.274 -2.444 6.498 1.00 0.00 H new ATOM 0 HG2 PRO A 91 -13.614 -2.497 7.936 1.00 0.00 H new ATOM 0 HG3 PRO A 91 -14.261 -3.657 6.794 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -12.479 -1.830 5.962 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -13.823 -2.260 4.922 1.00 0.00 H new ATOM 1351 N PRO A 92 -16.250 0.429 8.905 1.00 0.00 N ATOM 1352 CA PRO A 92 -16.241 1.195 10.178 1.00 0.00 C ATOM 1353 C PRO A 92 -15.433 0.461 11.246 1.00 0.00 C ATOM 1354 O PRO A 92 -15.133 0.999 12.292 1.00 0.00 O ATOM 1355 CB PRO A 92 -17.715 1.266 10.562 1.00 0.00 C ATOM 1356 CG PRO A 92 -18.342 0.092 9.886 1.00 0.00 C ATOM 1357 CD PRO A 92 -17.573 -0.129 8.611 1.00 0.00 C ATOM 0 HA PRO A 92 -15.782 2.179 10.080 1.00 0.00 H new ATOM 0 HB2 PRO A 92 -17.845 1.216 11.643 1.00 0.00 H new ATOM 0 HB3 PRO A 92 -18.166 2.201 10.230 1.00 0.00 H new ATOM 0 HG2 PRO A 92 -18.298 -0.791 10.523 1.00 0.00 H new ATOM 0 HG3 PRO A 92 -19.395 0.282 9.676 1.00 0.00 H new ATOM 0 HD2 PRO A 92 -17.514 -1.187 8.357 1.00 0.00 H new ATOM 0 HD3 PRO A 92 -18.043 0.376 7.767 1.00 0.00 H new ATOM 1365 N ALA A 93 -15.064 -0.758 10.984 1.00 0.00 N ATOM 1366 CA ALA A 93 -14.259 -1.518 11.976 1.00 0.00 C ATOM 1367 C ALA A 93 -12.813 -1.031 11.924 1.00 0.00 C ATOM 1368 O ALA A 93 -11.955 -1.516 12.636 1.00 0.00 O ATOM 1369 CB ALA A 93 -14.354 -2.979 11.535 1.00 0.00 C ATOM 0 H ALA A 93 -15.285 -1.262 10.125 1.00 0.00 H new ATOM 0 HA ALA A 93 -14.614 -1.389 12.998 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -13.783 -3.604 12.221 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -15.398 -3.294 11.541 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -13.950 -3.082 10.528 1.00 0.00 H new ATOM 1375 N LEU A 94 -12.536 -0.073 11.080 1.00 0.00 N ATOM 1376 CA LEU A 94 -11.152 0.448 10.976 1.00 0.00 C ATOM 1377 C LEU A 94 -11.071 1.850 11.581 1.00 0.00 C ATOM 1378 O LEU A 94 -10.002 2.374 11.822 1.00 0.00 O ATOM 1379 CB LEU A 94 -10.862 0.500 9.476 1.00 0.00 C ATOM 1380 CG LEU A 94 -10.076 -0.743 9.068 1.00 0.00 C ATOM 1381 CD1 LEU A 94 -8.808 -0.842 9.916 1.00 0.00 C ATOM 1382 CD2 LEU A 94 -10.940 -1.986 9.293 1.00 0.00 C ATOM 0 H LEU A 94 -13.214 0.369 10.459 1.00 0.00 H new ATOM 0 HA LEU A 94 -10.435 -0.174 11.511 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -11.795 0.554 8.916 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -10.294 1.398 9.235 1.00 0.00 H new ATOM 0 HG LEU A 94 -9.804 -0.675 8.015 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -8.245 -1.729 9.626 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -8.194 0.045 9.758 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -9.079 -0.912 10.969 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -10.381 -2.875 9.002 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -11.210 -2.056 10.347 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -11.845 -1.914 8.690 1.00 0.00 H new ATOM 1394 N VAL A 95 -12.197 2.463 11.822 1.00 0.00 N ATOM 1395 CA VAL A 95 -12.192 3.833 12.400 1.00 0.00 C ATOM 1396 C VAL A 95 -12.089 3.772 13.928 1.00 0.00 C ATOM 1397 O VAL A 95 -12.872 3.110 14.579 1.00 0.00 O ATOM 1398 CB VAL A 95 -13.532 4.433 11.980 1.00 0.00 C ATOM 1399 CG1 VAL A 95 -13.640 4.419 10.454 1.00 0.00 C ATOM 1400 CG2 VAL A 95 -14.669 3.603 12.578 1.00 0.00 C ATOM 0 H VAL A 95 -13.122 2.072 11.643 1.00 0.00 H new ATOM 0 HA VAL A 95 -11.345 4.425 12.053 1.00 0.00 H new ATOM 0 HB VAL A 95 -13.601 5.459 12.340 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -14.596 4.847 10.153 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -12.828 5.007 10.026 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -13.573 3.392 10.094 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -15.627 4.029 12.280 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -14.600 2.577 12.216 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -14.592 3.610 13.665 1.00 0.00 H new ATOM 1410 N PRO A 96 -11.126 4.481 14.450 1.00 0.00 N ATOM 1411 CA PRO A 96 -10.923 4.523 15.920 1.00 0.00 C ATOM 1412 C PRO A 96 -12.049 5.326 16.578 1.00 0.00 C ATOM 1413 O PRO A 96 -12.885 5.887 15.898 1.00 0.00 O ATOM 1414 CB PRO A 96 -9.578 5.230 16.073 1.00 0.00 C ATOM 1415 CG PRO A 96 -9.424 6.043 14.827 1.00 0.00 C ATOM 1416 CD PRO A 96 -10.146 5.302 13.732 1.00 0.00 C ATOM 0 HA PRO A 96 -10.932 3.540 16.392 1.00 0.00 H new ATOM 0 HB2 PRO A 96 -9.563 5.862 16.961 1.00 0.00 H new ATOM 0 HB3 PRO A 96 -8.765 4.512 16.179 1.00 0.00 H new ATOM 0 HG2 PRO A 96 -9.844 7.040 14.961 1.00 0.00 H new ATOM 0 HG3 PRO A 96 -8.371 6.172 14.577 1.00 0.00 H new ATOM 0 HD2 PRO A 96 -10.631 5.988 13.038 1.00 0.00 H new ATOM 0 HD3 PRO A 96 -9.462 4.687 13.147 1.00 0.00 H new ATOM 1424 N PRO A 97 -12.038 5.354 17.883 1.00 0.00 N ATOM 1425 CA PRO A 97 -13.081 6.096 18.631 1.00 0.00 C ATOM 1426 C PRO A 97 -12.883 7.603 18.478 1.00 0.00 C ATOM 1427 O PRO A 97 -13.774 8.385 18.746 1.00 0.00 O ATOM 1428 CB PRO A 97 -12.869 5.656 20.076 1.00 0.00 C ATOM 1429 CG PRO A 97 -11.437 5.228 20.143 1.00 0.00 C ATOM 1430 CD PRO A 97 -11.069 4.709 18.776 1.00 0.00 C ATOM 0 HA PRO A 97 -14.091 5.891 18.275 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -13.070 6.471 20.771 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -13.539 4.838 20.342 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -10.797 6.065 20.423 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -11.300 4.455 20.899 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -10.045 4.971 18.511 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -11.142 3.623 18.728 1.00 0.00 H new ATOM 1438 N SER A 98 -11.730 8.021 18.039 1.00 0.00 N ATOM 1439 CA SER A 98 -11.497 9.481 17.862 1.00 0.00 C ATOM 1440 C SER A 98 -11.995 9.915 16.489 1.00 0.00 C ATOM 1441 O SER A 98 -12.535 10.991 16.322 1.00 0.00 O ATOM 1442 CB SER A 98 -9.986 9.669 17.982 1.00 0.00 C ATOM 1443 OG SER A 98 -9.676 11.053 17.881 1.00 0.00 O ATOM 0 H SER A 98 -10.943 7.420 17.796 1.00 0.00 H new ATOM 0 HA SER A 98 -12.028 10.082 18.600 1.00 0.00 H new ATOM 0 HB2 SER A 98 -9.633 9.274 18.935 1.00 0.00 H new ATOM 0 HB3 SER A 98 -9.475 9.112 17.197 1.00 0.00 H new ATOM 0 HG SER A 98 -8.707 11.178 17.959 1.00 0.00 H new ATOM 1449 N LYS A 99 -11.838 9.077 15.508 1.00 0.00 N ATOM 1450 CA LYS A 99 -12.324 9.433 14.151 1.00 0.00 C ATOM 1451 C LYS A 99 -13.768 8.958 13.997 1.00 0.00 C ATOM 1452 O LYS A 99 -14.332 8.986 12.922 1.00 0.00 O ATOM 1453 CB LYS A 99 -11.400 8.692 13.186 1.00 0.00 C ATOM 1454 CG LYS A 99 -10.085 9.462 13.043 1.00 0.00 C ATOM 1455 CD LYS A 99 -8.913 8.529 13.344 1.00 0.00 C ATOM 1456 CE LYS A 99 -7.673 8.999 12.580 1.00 0.00 C ATOM 1457 NZ LYS A 99 -7.060 10.046 13.444 1.00 0.00 N ATOM 0 H LYS A 99 -11.395 8.162 15.587 1.00 0.00 H new ATOM 0 HA LYS A 99 -12.311 10.507 13.963 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -11.205 7.685 13.554 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -11.881 8.589 12.213 1.00 0.00 H new ATOM 0 HG2 LYS A 99 -9.994 9.863 12.034 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -10.072 10.311 13.726 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -8.710 8.518 14.415 1.00 0.00 H new ATOM 0 HD3 LYS A 99 -9.165 7.508 13.056 1.00 0.00 H new ATOM 0 HE2 LYS A 99 -6.981 8.175 12.407 1.00 0.00 H new ATOM 0 HE3 LYS A 99 -7.941 9.401 11.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 -6.539 10.724 12.852 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 -7.807 10.546 13.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 -6.405 9.600 14.118 1.00 0.00 H new ATOM 1471 N ARG A 100 -14.375 8.519 15.073 1.00 0.00 N ATOM 1472 CA ARG A 100 -15.782 8.045 14.989 1.00 0.00 C ATOM 1473 C ARG A 100 -16.731 9.201 15.334 1.00 0.00 C ATOM 1474 O ARG A 100 -17.608 9.546 14.567 1.00 0.00 O ATOM 1475 CB ARG A 100 -15.864 6.905 16.017 1.00 0.00 C ATOM 1476 CG ARG A 100 -17.243 6.879 16.678 1.00 0.00 C ATOM 1477 CD ARG A 100 -17.324 5.705 17.658 1.00 0.00 C ATOM 1478 NE ARG A 100 -16.865 4.519 16.882 1.00 0.00 N ATOM 1479 CZ ARG A 100 -17.698 3.552 16.612 1.00 0.00 C ATOM 1480 NH1 ARG A 100 -18.926 3.825 16.263 1.00 0.00 N ATOM 1481 NH2 ARG A 100 -17.302 2.311 16.689 1.00 0.00 N ATOM 0 H ARG A 100 -13.954 8.470 16.001 1.00 0.00 H new ATOM 0 HA ARG A 100 -16.069 7.700 13.996 1.00 0.00 H new ATOM 0 HB2 ARG A 100 -15.671 5.951 15.527 1.00 0.00 H new ATOM 0 HB3 ARG A 100 -15.093 7.035 16.776 1.00 0.00 H new ATOM 0 HG2 ARG A 100 -17.423 7.817 17.204 1.00 0.00 H new ATOM 0 HG3 ARG A 100 -18.019 6.785 15.919 1.00 0.00 H new ATOM 0 HD2 ARG A 100 -16.692 5.875 18.529 1.00 0.00 H new ATOM 0 HD3 ARG A 100 -18.341 5.567 18.024 1.00 0.00 H new ATOM 0 HE ARG A 100 -15.898 4.463 16.561 1.00 0.00 H new ATOM 0 HH11 ARG A 100 -19.235 4.795 16.201 1.00 0.00 H new ATOM 0 HH12 ARG A 100 -19.576 3.068 16.052 1.00 0.00 H new ATOM 0 HH21 ARG A 100 -16.342 2.098 16.960 1.00 0.00 H new ATOM 0 HH22 ARG A 100 -17.952 1.554 16.478 1.00 0.00 H new TER 1495 ARG A 100 HETATM 1496 CA CA A 107 -4.940 11.612 7.138 1.00 12.07 CA