USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=41 USER MOD reduce.3.24.130724 removed 850 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 45 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 72 ASN :FLIP amide:sc= -17.2! C(o=-20!,f=-17!) USER MOD Set 2.1: A 60 THR OG1 : rot 180:sc= -0.147 USER MOD Set 2.2: A 61 THR OG1 : rot 125:sc= -0.581 USER MOD Set 3.1: A 57 HIS :FLIP no HD1:sc= -6.61! C(o=-8.2!,f=-6!) USER MOD Set 3.2: A 86 TYR OH : rot -158:sc= 0.578 USER MOD Set 4.1: A 47 GLN : amide:sc= -5.83! C(o=-5.8!,f=-10!) USER MOD Set 4.2: A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 ALA N :NH3+ -177:sc= -0.0783 (180deg=-0.112) USER MOD Single : A 4 HIS : no HE2:sc= -0.253 K(o=-0.25,f=-2.8!) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.659 X(o=-0.66,f=-0.35) USER MOD Single : A 7 HIS : no HD1:sc= -0.0567 X(o=-0.057,f=-0.0051) USER MOD Single : A 8 HIS : no HD1:sc= -0.259 K(o=-0.26,f=-2.1) USER MOD Single : A 9 HIS : no HD1:sc= -0.697 X(o=-0.7,f=-0.36) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.23 USER MOD Single : A 18 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 19 SER OG : rot 180:sc= 0 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -0.684 USER MOD Single : A 27 HIS :FLIP no HD1:sc= -2.19 F(o=-3.8!,f=-2.2) USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 136:sc= -0.848 USER MOD Single : A 36 SER OG : rot 180:sc= 0.11 USER MOD Single : A 38 SER OG : rot 180:sc= 0.0629 USER MOD Single : A 39 THR OG1 : rot 108:sc= 0.243 USER MOD Single : A 40 THR OG1 : rot 155:sc= 0.238 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 SER OG : rot 160:sc= -1.45 USER MOD Single : A 50 SER OG : rot -40:sc= 0.28 USER MOD Single : A 51 SER OG : rot 21:sc= 0.124 USER MOD Single : A 52 MET CE :methyl 179:sc= -18.9! (180deg=-19.1!) USER MOD Single : A 53 THR OG1 : rot 180:sc= -3.06! USER MOD Single : A 55 HIS : no HD1:sc= -0.859 K(o=-0.86,f=-2.3!) USER MOD Single : A 58 GLN : amide:sc= -0.0407 K(o=-0.041,f=-1.7!) USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 64 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.303 X(o=-0.3,f=-0.028) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -7.61! C(o=-7.6!,f=-8.6!) USER MOD Single : A 82 SER OG : rot 180:sc= -7.67! USER MOD Single : A 87 THR OG1 : rot 92:sc= -2.38 USER MOD Single : A 91 ASN :FLIP amide:sc= -0.883 F(o=-3.7!,f=-0.88) USER MOD Single : A 96 TYR OH : rot 21:sc= 0.49 USER MOD Single : A 98 ASN :FLIP amide:sc= -6.01! C(o=-7.9!,f=-6!) USER MOD Single : A 100 THR OG1 : rot 180:sc= 0 USER MOD Single : A 101 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= -0.68 USER MOD Single : A 108 SER OG : rot 23:sc= 0.143 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 THR OG1 : rot 62:sc= 0.244 USER MOD Single : A 117 SER OG : rot 11:sc= 0.0523! USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 38.584 8.486 8.875 1.00 0.00 N ATOM 2 CA ALA A 1 38.543 7.749 7.579 1.00 0.00 C ATOM 3 C ALA A 1 37.783 6.431 7.744 1.00 0.00 C ATOM 4 O ALA A 1 36.816 6.170 7.055 1.00 0.00 O ATOM 5 CB ALA A 1 40.008 7.487 7.230 1.00 0.00 C ATOM 0 H1 ALA A 1 39.058 9.402 8.739 1.00 0.00 H new ATOM 0 H2 ALA A 1 37.614 8.645 9.215 1.00 0.00 H new ATOM 0 H3 ALA A 1 39.109 7.926 9.577 1.00 0.00 H new ATOM 0 HA ALA A 1 38.032 8.311 6.797 1.00 0.00 H new ATOM 0 HB1 ALA A 1 40.066 6.946 6.285 1.00 0.00 H new ATOM 0 HB2 ALA A 1 40.535 8.436 7.137 1.00 0.00 H new ATOM 0 HB3 ALA A 1 40.469 6.891 8.018 1.00 0.00 H new ATOM 13 N ARG A 2 38.210 5.597 8.653 1.00 0.00 N ATOM 14 CA ARG A 2 37.508 4.298 8.860 1.00 0.00 C ATOM 15 C ARG A 2 37.270 4.058 10.353 1.00 0.00 C ATOM 16 O ARG A 2 37.916 3.235 10.971 1.00 0.00 O ATOM 17 CB ARG A 2 38.454 3.241 8.290 1.00 0.00 C ATOM 18 CG ARG A 2 37.767 2.518 7.131 1.00 0.00 C ATOM 19 CD ARG A 2 38.309 1.092 7.025 1.00 0.00 C ATOM 20 NE ARG A 2 39.782 1.252 6.881 1.00 0.00 N ATOM 21 CZ ARG A 2 40.424 0.587 5.960 1.00 0.00 C ATOM 22 NH1 ARG A 2 40.395 -0.718 5.959 1.00 0.00 N ATOM 23 NH2 ARG A 2 41.093 1.226 5.041 1.00 0.00 N ATOM 0 H ARG A 2 39.013 5.759 9.260 1.00 0.00 H new ATOM 0 HA ARG A 2 36.532 4.274 8.376 1.00 0.00 H new ATOM 0 HB2 ARG A 2 39.376 3.710 7.946 1.00 0.00 H new ATOM 0 HB3 ARG A 2 38.730 2.527 9.066 1.00 0.00 H new ATOM 0 HG2 ARG A 2 36.689 2.498 7.289 1.00 0.00 H new ATOM 0 HG3 ARG A 2 37.942 3.055 6.199 1.00 0.00 H new ATOM 0 HD2 ARG A 2 38.060 0.508 7.911 1.00 0.00 H new ATOM 0 HD3 ARG A 2 37.883 0.570 6.168 1.00 0.00 H new ATOM 0 HE ARG A 2 40.290 1.882 7.502 1.00 0.00 H new ATOM 0 HH11 ARG A 2 39.871 -1.217 6.678 1.00 0.00 H new ATOM 0 HH12 ARG A 2 40.897 -1.239 5.239 1.00 0.00 H new ATOM 0 HH21 ARG A 2 41.114 2.246 5.042 1.00 0.00 H new ATOM 0 HH22 ARG A 2 41.595 0.706 4.321 1.00 0.00 H new ATOM 37 N ILE A 3 36.346 4.771 10.935 1.00 0.00 N ATOM 38 CA ILE A 3 36.064 4.586 12.387 1.00 0.00 C ATOM 39 C ILE A 3 34.580 4.276 12.599 1.00 0.00 C ATOM 40 O ILE A 3 34.207 3.570 13.514 1.00 0.00 O ATOM 41 CB ILE A 3 36.430 5.922 13.031 1.00 0.00 C ATOM 42 CG1 ILE A 3 37.924 6.189 12.831 1.00 0.00 C ATOM 43 CG2 ILE A 3 36.117 5.872 14.527 1.00 0.00 C ATOM 44 CD1 ILE A 3 38.113 7.485 12.039 1.00 0.00 C ATOM 0 H ILE A 3 35.773 5.474 10.468 1.00 0.00 H new ATOM 0 HA ILE A 3 36.627 3.758 12.818 1.00 0.00 H new ATOM 0 HB ILE A 3 35.851 6.720 12.567 1.00 0.00 H new ATOM 0 HG12 ILE A 3 38.422 6.266 13.797 1.00 0.00 H new ATOM 0 HG13 ILE A 3 38.385 5.356 12.300 1.00 0.00 H new ATOM 0 HG21 ILE A 3 36.379 6.826 14.986 1.00 0.00 H new ATOM 0 HG22 ILE A 3 35.054 5.680 14.670 1.00 0.00 H new ATOM 0 HG23 ILE A 3 36.696 5.075 14.993 1.00 0.00 H new ATOM 0 HD11 ILE A 3 39.177 7.673 11.898 1.00 0.00 H new ATOM 0 HD12 ILE A 3 37.629 7.391 11.067 1.00 0.00 H new ATOM 0 HD13 ILE A 3 37.667 8.315 12.588 1.00 0.00 H new ATOM 56 N HIS A 4 33.731 4.799 11.757 1.00 0.00 N ATOM 57 CA HIS A 4 32.271 4.535 11.905 1.00 0.00 C ATOM 58 C HIS A 4 31.488 5.309 10.841 1.00 0.00 C ATOM 59 O HIS A 4 30.536 4.812 10.273 1.00 0.00 O ATOM 60 CB HIS A 4 31.917 5.037 13.306 1.00 0.00 C ATOM 61 CG HIS A 4 31.292 3.919 14.093 1.00 0.00 C ATOM 62 ND1 HIS A 4 32.039 3.071 14.894 1.00 0.00 N ATOM 63 CD2 HIS A 4 29.991 3.495 14.208 1.00 0.00 C ATOM 64 CE1 HIS A 4 31.191 2.188 15.452 1.00 0.00 C ATOM 65 NE2 HIS A 4 29.930 2.402 15.067 1.00 0.00 N ATOM 0 H HIS A 4 33.985 5.398 10.972 1.00 0.00 H new ATOM 0 HA HIS A 4 32.024 3.481 11.778 1.00 0.00 H new ATOM 0 HB2 HIS A 4 32.813 5.397 13.813 1.00 0.00 H new ATOM 0 HB3 HIS A 4 31.228 5.879 13.239 1.00 0.00 H new ATOM 0 HD1 HIS A 4 33.048 3.109 15.035 1.00 0.00 H new ATOM 0 HD2 HIS A 4 29.144 3.942 13.708 1.00 0.00 H new ATOM 0 HE1 HIS A 4 31.493 1.402 16.129 1.00 0.00 H new ATOM 73 N HIS A 5 31.884 6.521 10.567 1.00 0.00 N ATOM 74 CA HIS A 5 31.165 7.326 9.538 1.00 0.00 C ATOM 75 C HIS A 5 31.687 6.981 8.140 1.00 0.00 C ATOM 76 O HIS A 5 32.539 6.130 7.978 1.00 0.00 O ATOM 77 CB HIS A 5 31.483 8.781 9.885 1.00 0.00 C ATOM 78 CG HIS A 5 30.216 9.502 10.254 1.00 0.00 C ATOM 79 ND1 HIS A 5 29.783 9.614 11.566 1.00 0.00 N ATOM 80 CD2 HIS A 5 29.282 10.161 9.494 1.00 0.00 C ATOM 81 CE1 HIS A 5 28.636 10.318 11.556 1.00 0.00 C ATOM 82 NE2 HIS A 5 28.285 10.676 10.318 1.00 0.00 N ATOM 0 H HIS A 5 32.674 6.989 11.011 1.00 0.00 H new ATOM 0 HA HIS A 5 30.092 7.132 9.534 1.00 0.00 H new ATOM 0 HB2 HIS A 5 32.190 8.821 10.713 1.00 0.00 H new ATOM 0 HB3 HIS A 5 31.958 9.272 9.036 1.00 0.00 H new ATOM 0 HD2 HIS A 5 29.315 10.264 8.419 1.00 0.00 H new ATOM 0 HE1 HIS A 5 28.068 10.564 12.441 1.00 0.00 H new ATOM 0 HE2 HIS A 5 27.464 11.211 10.037 1.00 0.00 H new ATOM 90 N HIS A 6 31.185 7.636 7.130 1.00 0.00 N ATOM 91 CA HIS A 6 31.654 7.346 5.744 1.00 0.00 C ATOM 92 C HIS A 6 31.440 8.569 4.848 1.00 0.00 C ATOM 93 O HIS A 6 30.473 8.655 4.118 1.00 0.00 O ATOM 94 CB HIS A 6 30.790 6.177 5.270 1.00 0.00 C ATOM 95 CG HIS A 6 31.671 5.001 4.949 1.00 0.00 C ATOM 96 ND1 HIS A 6 31.192 3.875 4.298 1.00 0.00 N ATOM 97 CD2 HIS A 6 33.001 4.760 5.185 1.00 0.00 C ATOM 98 CE1 HIS A 6 32.219 3.016 4.166 1.00 0.00 C ATOM 99 NE2 HIS A 6 33.346 3.506 4.690 1.00 0.00 N ATOM 0 H HIS A 6 30.470 8.360 7.204 1.00 0.00 H new ATOM 0 HA HIS A 6 32.717 7.108 5.709 1.00 0.00 H new ATOM 0 HB2 HIS A 6 30.070 5.906 6.043 1.00 0.00 H new ATOM 0 HB3 HIS A 6 30.218 6.468 4.389 1.00 0.00 H new ATOM 0 HD2 HIS A 6 33.678 5.441 5.680 1.00 0.00 H new ATOM 0 HE1 HIS A 6 32.142 2.048 3.694 1.00 0.00 H new ATOM 0 HE2 HIS A 6 34.262 3.058 4.721 1.00 0.00 H new ATOM 107 N HIS A 7 32.335 9.516 4.901 1.00 0.00 N ATOM 108 CA HIS A 7 32.184 10.735 4.056 1.00 0.00 C ATOM 109 C HIS A 7 33.252 10.752 2.959 1.00 0.00 C ATOM 110 O HIS A 7 34.165 11.553 2.985 1.00 0.00 O ATOM 111 CB HIS A 7 32.390 11.904 5.019 1.00 0.00 C ATOM 112 CG HIS A 7 31.251 12.877 4.884 1.00 0.00 C ATOM 113 ND1 HIS A 7 30.622 13.436 5.986 1.00 0.00 N ATOM 114 CD2 HIS A 7 30.616 13.401 3.785 1.00 0.00 C ATOM 115 CE1 HIS A 7 29.657 14.256 5.530 1.00 0.00 C ATOM 116 NE2 HIS A 7 29.611 14.271 4.195 1.00 0.00 N ATOM 0 H HIS A 7 33.165 9.499 5.493 1.00 0.00 H new ATOM 0 HA HIS A 7 31.216 10.778 3.558 1.00 0.00 H new ATOM 0 HB2 HIS A 7 32.449 11.538 6.044 1.00 0.00 H new ATOM 0 HB3 HIS A 7 33.335 12.403 4.804 1.00 0.00 H new ATOM 0 HD2 HIS A 7 30.860 13.172 2.758 1.00 0.00 H new ATOM 0 HE1 HIS A 7 29.000 14.831 6.166 1.00 0.00 H new ATOM 0 HE2 HIS A 7 28.975 14.806 3.603 1.00 0.00 H new ATOM 124 N HIS A 8 33.150 9.875 1.997 1.00 0.00 N ATOM 125 CA HIS A 8 34.168 9.851 0.908 1.00 0.00 C ATOM 126 C HIS A 8 33.502 9.606 -0.451 1.00 0.00 C ATOM 127 O HIS A 8 32.383 10.016 -0.690 1.00 0.00 O ATOM 128 CB HIS A 8 35.102 8.694 1.264 1.00 0.00 C ATOM 129 CG HIS A 8 36.507 9.045 0.857 1.00 0.00 C ATOM 130 ND1 HIS A 8 36.777 9.886 -0.211 1.00 0.00 N ATOM 131 CD2 HIS A 8 37.729 8.681 1.366 1.00 0.00 C ATOM 132 CE1 HIS A 8 38.114 10.000 -0.309 1.00 0.00 C ATOM 133 NE2 HIS A 8 38.742 9.286 0.629 1.00 0.00 N ATOM 0 H HIS A 8 32.410 9.178 1.918 1.00 0.00 H new ATOM 0 HA HIS A 8 34.701 10.798 0.827 1.00 0.00 H new ATOM 0 HB2 HIS A 8 35.061 8.495 2.335 1.00 0.00 H new ATOM 0 HB3 HIS A 8 34.781 7.784 0.758 1.00 0.00 H new ATOM 0 HD2 HIS A 8 37.881 8.025 2.210 1.00 0.00 H new ATOM 0 HE1 HIS A 8 38.618 10.596 -1.055 1.00 0.00 H new ATOM 0 HE2 HIS A 8 39.748 9.202 0.774 1.00 0.00 H new ATOM 141 N HIS A 9 34.189 8.946 -1.343 1.00 0.00 N ATOM 142 CA HIS A 9 33.608 8.677 -2.691 1.00 0.00 C ATOM 143 C HIS A 9 32.331 7.841 -2.572 1.00 0.00 C ATOM 144 O HIS A 9 32.072 7.223 -1.558 1.00 0.00 O ATOM 145 CB HIS A 9 34.688 7.892 -3.434 1.00 0.00 C ATOM 146 CG HIS A 9 34.967 6.612 -2.697 1.00 0.00 C ATOM 147 ND1 HIS A 9 34.316 5.427 -3.004 1.00 0.00 N ATOM 148 CD2 HIS A 9 35.819 6.315 -1.662 1.00 0.00 C ATOM 149 CE1 HIS A 9 34.783 4.480 -2.169 1.00 0.00 C ATOM 150 NE2 HIS A 9 35.701 4.968 -1.330 1.00 0.00 N ATOM 0 H HIS A 9 35.130 8.580 -1.197 1.00 0.00 H new ATOM 0 HA HIS A 9 33.334 9.597 -3.208 1.00 0.00 H new ATOM 0 HB2 HIS A 9 34.362 7.676 -4.451 1.00 0.00 H new ATOM 0 HB3 HIS A 9 35.598 8.487 -3.511 1.00 0.00 H new ATOM 0 HD2 HIS A 9 36.480 7.019 -1.179 1.00 0.00 H new ATOM 0 HE1 HIS A 9 34.455 3.451 -2.176 1.00 0.00 H new ATOM 0 HE2 HIS A 9 36.207 4.462 -0.603 1.00 0.00 H new ATOM 158 N ILE A 10 31.535 7.814 -3.607 1.00 0.00 N ATOM 159 CA ILE A 10 30.277 7.015 -3.564 1.00 0.00 C ATOM 160 C ILE A 10 30.008 6.392 -4.939 1.00 0.00 C ATOM 161 O ILE A 10 30.242 7.003 -5.963 1.00 0.00 O ATOM 162 CB ILE A 10 29.179 8.015 -3.189 1.00 0.00 C ATOM 163 CG1 ILE A 10 27.971 7.254 -2.638 1.00 0.00 C ATOM 164 CG2 ILE A 10 28.756 8.820 -4.422 1.00 0.00 C ATOM 165 CD1 ILE A 10 28.341 6.613 -1.298 1.00 0.00 C ATOM 0 H ILE A 10 31.702 8.312 -4.482 1.00 0.00 H new ATOM 0 HA ILE A 10 30.328 6.194 -2.849 1.00 0.00 H new ATOM 0 HB ILE A 10 29.561 8.700 -2.433 1.00 0.00 H new ATOM 0 HG12 ILE A 10 27.128 7.933 -2.508 1.00 0.00 H new ATOM 0 HG13 ILE A 10 27.657 6.487 -3.346 1.00 0.00 H new ATOM 0 HG21 ILE A 10 27.975 9.528 -4.144 1.00 0.00 H new ATOM 0 HG22 ILE A 10 29.616 9.364 -4.814 1.00 0.00 H new ATOM 0 HG23 ILE A 10 28.376 8.142 -5.186 1.00 0.00 H new ATOM 0 HD11 ILE A 10 27.481 6.071 -0.904 1.00 0.00 H new ATOM 0 HD12 ILE A 10 29.171 5.922 -1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 10 28.634 7.390 -0.592 1.00 0.00 H new ATOM 177 N GLU A 11 29.526 5.180 -4.972 1.00 0.00 N ATOM 178 CA GLU A 11 29.253 4.526 -6.285 1.00 0.00 C ATOM 179 C GLU A 11 27.746 4.352 -6.499 1.00 0.00 C ATOM 180 O GLU A 11 27.016 3.996 -5.596 1.00 0.00 O ATOM 181 CB GLU A 11 29.940 3.163 -6.194 1.00 0.00 C ATOM 182 CG GLU A 11 29.245 2.309 -5.132 1.00 0.00 C ATOM 183 CD GLU A 11 30.292 1.498 -4.366 1.00 0.00 C ATOM 184 OE1 GLU A 11 31.064 0.807 -5.010 1.00 0.00 O ATOM 185 OE2 GLU A 11 30.303 1.581 -3.149 1.00 0.00 O ATOM 0 H GLU A 11 29.310 4.615 -4.151 1.00 0.00 H new ATOM 0 HA GLU A 11 29.621 5.119 -7.122 1.00 0.00 H new ATOM 0 HB2 GLU A 11 29.903 2.661 -7.161 1.00 0.00 H new ATOM 0 HB3 GLU A 11 30.992 3.291 -5.941 1.00 0.00 H new ATOM 0 HG2 GLU A 11 28.688 2.946 -4.445 1.00 0.00 H new ATOM 0 HG3 GLU A 11 28.524 1.640 -5.602 1.00 0.00 H new ATOM 192 N GLY A 12 27.279 4.597 -7.694 1.00 0.00 N ATOM 193 CA GLY A 12 25.823 4.441 -7.974 1.00 0.00 C ATOM 194 C GLY A 12 25.045 5.597 -7.343 1.00 0.00 C ATOM 195 O GLY A 12 25.553 6.319 -6.508 1.00 0.00 O ATOM 0 H GLY A 12 27.843 4.898 -8.488 1.00 0.00 H new ATOM 0 HA2 GLY A 12 25.651 4.420 -9.050 1.00 0.00 H new ATOM 0 HA3 GLY A 12 25.467 3.491 -7.576 1.00 0.00 H new ATOM 199 N ARG A 13 23.813 5.776 -7.737 1.00 0.00 N ATOM 200 CA ARG A 13 22.997 6.883 -7.162 1.00 0.00 C ATOM 201 C ARG A 13 22.343 6.431 -5.854 1.00 0.00 C ATOM 202 O ARG A 13 22.783 5.491 -5.222 1.00 0.00 O ATOM 203 CB ARG A 13 21.932 7.179 -8.220 1.00 0.00 C ATOM 204 CG ARG A 13 20.956 6.004 -8.303 1.00 0.00 C ATOM 205 CD ARG A 13 20.180 6.075 -9.621 1.00 0.00 C ATOM 206 NE ARG A 13 21.011 5.320 -10.599 1.00 0.00 N ATOM 207 CZ ARG A 13 20.720 4.080 -10.884 1.00 0.00 C ATOM 208 NH1 ARG A 13 20.917 3.144 -9.997 1.00 0.00 N ATOM 209 NH2 ARG A 13 20.233 3.776 -12.056 1.00 0.00 N ATOM 0 H ARG A 13 23.336 5.203 -8.433 1.00 0.00 H new ATOM 0 HA ARG A 13 23.597 7.763 -6.930 1.00 0.00 H new ATOM 0 HB2 ARG A 13 21.396 8.094 -7.966 1.00 0.00 H new ATOM 0 HB3 ARG A 13 22.403 7.344 -9.189 1.00 0.00 H new ATOM 0 HG2 ARG A 13 21.499 5.061 -8.239 1.00 0.00 H new ATOM 0 HG3 ARG A 13 20.265 6.031 -7.460 1.00 0.00 H new ATOM 0 HD2 ARG A 13 19.189 5.632 -9.520 1.00 0.00 H new ATOM 0 HD3 ARG A 13 20.036 7.108 -9.939 1.00 0.00 H new ATOM 0 HE ARG A 13 21.808 5.772 -11.047 1.00 0.00 H new ATOM 0 HH11 ARG A 13 21.298 3.381 -9.081 1.00 0.00 H new ATOM 0 HH12 ARG A 13 20.690 2.175 -10.219 1.00 0.00 H new ATOM 0 HH21 ARG A 13 20.080 4.508 -12.750 1.00 0.00 H new ATOM 0 HH22 ARG A 13 20.006 2.807 -12.278 1.00 0.00 H new ATOM 223 N ALA A 14 21.294 7.090 -5.445 1.00 0.00 N ATOM 224 CA ALA A 14 20.613 6.693 -4.180 1.00 0.00 C ATOM 225 C ALA A 14 19.726 5.467 -4.423 1.00 0.00 C ATOM 226 O ALA A 14 18.745 5.543 -5.136 1.00 0.00 O ATOM 227 CB ALA A 14 19.762 7.903 -3.791 1.00 0.00 C ATOM 0 H ALA A 14 20.879 7.885 -5.931 1.00 0.00 H new ATOM 0 HA ALA A 14 21.320 6.425 -3.395 1.00 0.00 H new ATOM 0 HB1 ALA A 14 19.227 7.689 -2.866 1.00 0.00 H new ATOM 0 HB2 ALA A 14 20.407 8.770 -3.645 1.00 0.00 H new ATOM 0 HB3 ALA A 14 19.045 8.114 -4.584 1.00 0.00 H new ATOM 233 N PRO A 15 20.106 4.372 -3.820 1.00 0.00 N ATOM 234 CA PRO A 15 19.338 3.111 -3.974 1.00 0.00 C ATOM 235 C PRO A 15 18.005 3.200 -3.224 1.00 0.00 C ATOM 236 O PRO A 15 17.875 2.730 -2.111 1.00 0.00 O ATOM 237 CB PRO A 15 20.248 2.060 -3.344 1.00 0.00 C ATOM 238 CG PRO A 15 21.105 2.819 -2.383 1.00 0.00 C ATOM 239 CD PRO A 15 21.273 4.205 -2.948 1.00 0.00 C ATOM 0 HA PRO A 15 19.087 2.885 -5.010 1.00 0.00 H new ATOM 0 HB2 PRO A 15 19.669 1.290 -2.834 1.00 0.00 H new ATOM 0 HB3 PRO A 15 20.852 1.556 -4.099 1.00 0.00 H new ATOM 0 HG2 PRO A 15 20.640 2.857 -1.398 1.00 0.00 H new ATOM 0 HG3 PRO A 15 22.072 2.332 -2.260 1.00 0.00 H new ATOM 0 HD2 PRO A 15 21.295 4.958 -2.160 1.00 0.00 H new ATOM 0 HD3 PRO A 15 22.205 4.300 -3.505 1.00 0.00 H new ATOM 247 N THR A 16 17.014 3.798 -3.826 1.00 0.00 N ATOM 248 CA THR A 16 15.691 3.915 -3.148 1.00 0.00 C ATOM 249 C THR A 16 14.561 3.883 -4.180 1.00 0.00 C ATOM 250 O THR A 16 14.737 4.262 -5.321 1.00 0.00 O ATOM 251 CB THR A 16 15.726 5.267 -2.433 1.00 0.00 C ATOM 252 OG1 THR A 16 16.851 5.313 -1.566 1.00 0.00 O ATOM 253 CG2 THR A 16 14.443 5.449 -1.620 1.00 0.00 C ATOM 0 H THR A 16 17.063 4.211 -4.758 1.00 0.00 H new ATOM 0 HA THR A 16 15.511 3.093 -2.455 1.00 0.00 H new ATOM 0 HB THR A 16 15.802 6.067 -3.169 1.00 0.00 H new ATOM 0 HG1 THR A 16 16.876 6.179 -1.108 1.00 0.00 H new ATOM 0 HG21 THR A 16 14.469 6.412 -1.111 1.00 0.00 H new ATOM 0 HG22 THR A 16 13.582 5.414 -2.287 1.00 0.00 H new ATOM 0 HG23 THR A 16 14.363 4.651 -0.882 1.00 0.00 H new ATOM 261 N GLU A 17 13.403 3.429 -3.788 1.00 0.00 N ATOM 262 CA GLU A 17 12.263 3.369 -4.743 1.00 0.00 C ATOM 263 C GLU A 17 12.198 4.650 -5.578 1.00 0.00 C ATOM 264 O GLU A 17 12.813 5.647 -5.254 1.00 0.00 O ATOM 265 CB GLU A 17 11.019 3.238 -3.866 1.00 0.00 C ATOM 266 CG GLU A 17 10.012 2.311 -4.549 1.00 0.00 C ATOM 267 CD GLU A 17 9.035 1.763 -3.507 1.00 0.00 C ATOM 268 OE1 GLU A 17 8.917 2.372 -2.457 1.00 0.00 O ATOM 269 OE2 GLU A 17 8.423 0.743 -3.777 1.00 0.00 O ATOM 0 H GLU A 17 13.197 3.097 -2.846 1.00 0.00 H new ATOM 0 HA GLU A 17 12.358 2.540 -5.445 1.00 0.00 H new ATOM 0 HB2 GLU A 17 11.290 2.841 -2.888 1.00 0.00 H new ATOM 0 HB3 GLU A 17 10.573 4.218 -3.700 1.00 0.00 H new ATOM 0 HG2 GLU A 17 9.469 2.854 -5.323 1.00 0.00 H new ATOM 0 HG3 GLU A 17 10.533 1.490 -5.042 1.00 0.00 H new ATOM 276 N GLN A 18 11.451 4.632 -6.649 1.00 0.00 N ATOM 277 CA GLN A 18 11.336 5.839 -7.502 1.00 0.00 C ATOM 278 C GLN A 18 10.083 5.748 -8.378 1.00 0.00 C ATOM 279 O GLN A 18 10.145 5.887 -9.584 1.00 0.00 O ATOM 280 CB GLN A 18 12.600 5.846 -8.363 1.00 0.00 C ATOM 281 CG GLN A 18 12.734 4.503 -9.084 1.00 0.00 C ATOM 282 CD GLN A 18 14.180 4.310 -9.542 1.00 0.00 C ATOM 283 OE1 GLN A 18 15.049 4.020 -8.744 1.00 0.00 O ATOM 284 NE2 GLN A 18 14.477 4.460 -10.804 1.00 0.00 N ATOM 0 H GLN A 18 10.914 3.825 -6.968 1.00 0.00 H new ATOM 0 HA GLN A 18 11.246 6.752 -6.914 1.00 0.00 H new ATOM 0 HB2 GLN A 18 12.554 6.658 -9.089 1.00 0.00 H new ATOM 0 HB3 GLN A 18 13.476 6.025 -7.740 1.00 0.00 H new ATOM 0 HG2 GLN A 18 12.441 3.691 -8.419 1.00 0.00 H new ATOM 0 HG3 GLN A 18 12.063 4.471 -9.942 1.00 0.00 H new ATOM 0 HE21 GLN A 18 13.748 4.703 -11.474 1.00 0.00 H new ATOM 0 HE22 GLN A 18 15.439 4.334 -11.120 1.00 0.00 H new ATOM 293 N SER A 19 8.946 5.514 -7.781 1.00 0.00 N ATOM 294 CA SER A 19 7.690 5.412 -8.580 1.00 0.00 C ATOM 295 C SER A 19 7.039 6.791 -8.724 1.00 0.00 C ATOM 296 O SER A 19 6.657 7.402 -7.744 1.00 0.00 O ATOM 297 CB SER A 19 6.787 4.476 -7.778 1.00 0.00 C ATOM 298 OG SER A 19 5.452 4.594 -8.250 1.00 0.00 O ATOM 0 H SER A 19 8.832 5.389 -6.775 1.00 0.00 H new ATOM 0 HA SER A 19 7.872 5.040 -9.588 1.00 0.00 H new ATOM 0 HB2 SER A 19 7.131 3.446 -7.878 1.00 0.00 H new ATOM 0 HB3 SER A 19 6.834 4.726 -6.718 1.00 0.00 H new ATOM 0 HG SER A 19 4.870 3.994 -7.739 1.00 0.00 H new ATOM 304 N PRO A 20 6.932 7.237 -9.947 1.00 0.00 N ATOM 305 CA PRO A 20 6.318 8.557 -10.225 1.00 0.00 C ATOM 306 C PRO A 20 4.797 8.482 -10.063 1.00 0.00 C ATOM 307 O PRO A 20 4.089 8.055 -10.954 1.00 0.00 O ATOM 308 CB PRO A 20 6.696 8.830 -11.677 1.00 0.00 C ATOM 309 CG PRO A 20 6.921 7.480 -12.282 1.00 0.00 C ATOM 310 CD PRO A 20 7.369 6.561 -11.174 1.00 0.00 C ATOM 0 HA PRO A 20 6.659 9.340 -9.547 1.00 0.00 H new ATOM 0 HB2 PRO A 20 5.903 9.367 -12.196 1.00 0.00 H new ATOM 0 HB3 PRO A 20 7.593 9.445 -11.742 1.00 0.00 H new ATOM 0 HG2 PRO A 20 6.006 7.108 -12.743 1.00 0.00 H new ATOM 0 HG3 PRO A 20 7.675 7.532 -13.067 1.00 0.00 H new ATOM 0 HD2 PRO A 20 6.916 5.574 -11.268 1.00 0.00 H new ATOM 0 HD3 PRO A 20 8.450 6.419 -11.187 1.00 0.00 H new ATOM 318 N GLY A 21 4.290 8.891 -8.933 1.00 0.00 N ATOM 319 CA GLY A 21 2.817 8.842 -8.716 1.00 0.00 C ATOM 320 C GLY A 21 2.527 8.383 -7.286 1.00 0.00 C ATOM 321 O GLY A 21 2.135 7.257 -7.052 1.00 0.00 O ATOM 0 H GLY A 21 4.832 9.257 -8.150 1.00 0.00 H new ATOM 0 HA2 GLY A 21 2.380 9.826 -8.889 1.00 0.00 H new ATOM 0 HA3 GLY A 21 2.356 8.159 -9.429 1.00 0.00 H new ATOM 325 N VAL A 22 2.717 9.247 -6.326 1.00 0.00 N ATOM 326 CA VAL A 22 2.452 8.859 -4.911 1.00 0.00 C ATOM 327 C VAL A 22 1.625 9.941 -4.214 1.00 0.00 C ATOM 328 O VAL A 22 1.836 11.121 -4.412 1.00 0.00 O ATOM 329 CB VAL A 22 3.833 8.743 -4.268 1.00 0.00 C ATOM 330 CG1 VAL A 22 4.481 10.126 -4.200 1.00 0.00 C ATOM 331 CG2 VAL A 22 3.691 8.176 -2.853 1.00 0.00 C ATOM 0 H VAL A 22 3.044 10.204 -6.460 1.00 0.00 H new ATOM 0 HA VAL A 22 1.888 7.929 -4.835 1.00 0.00 H new ATOM 0 HB VAL A 22 4.457 8.078 -4.865 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.466 10.044 -3.741 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.582 10.530 -5.207 1.00 0.00 H new ATOM 0 HG13 VAL A 22 3.857 10.791 -3.603 1.00 0.00 H new ATOM 0 HG21 VAL A 22 4.676 8.093 -2.394 1.00 0.00 H new ATOM 0 HG22 VAL A 22 3.067 8.841 -2.256 1.00 0.00 H new ATOM 0 HG23 VAL A 22 3.229 7.190 -2.901 1.00 0.00 H new ATOM 341 N GLN A 23 0.687 9.547 -3.395 1.00 0.00 N ATOM 342 CA GLN A 23 -0.152 10.545 -2.681 1.00 0.00 C ATOM 343 C GLN A 23 -1.241 9.835 -1.872 1.00 0.00 C ATOM 344 O GLN A 23 -2.209 9.340 -2.416 1.00 0.00 O ATOM 345 CB GLN A 23 -0.776 11.409 -3.778 1.00 0.00 C ATOM 346 CG GLN A 23 -1.363 10.506 -4.865 1.00 0.00 C ATOM 347 CD GLN A 23 -1.871 11.364 -6.026 1.00 0.00 C ATOM 348 OE1 GLN A 23 -2.922 11.967 -5.937 1.00 0.00 O ATOM 349 NE2 GLN A 23 -1.164 11.445 -7.120 1.00 0.00 N ATOM 0 H GLN A 23 0.467 8.572 -3.191 1.00 0.00 H new ATOM 0 HA GLN A 23 0.430 11.143 -1.979 1.00 0.00 H new ATOM 0 HB2 GLN A 23 -1.556 12.044 -3.357 1.00 0.00 H new ATOM 0 HB3 GLN A 23 -0.024 12.071 -4.207 1.00 0.00 H new ATOM 0 HG2 GLN A 23 -0.605 9.808 -5.220 1.00 0.00 H new ATOM 0 HG3 GLN A 23 -2.179 9.910 -4.456 1.00 0.00 H new ATOM 0 HE21 GLN A 23 -0.282 10.939 -7.196 1.00 0.00 H new ATOM 0 HE22 GLN A 23 -1.494 12.014 -7.899 1.00 0.00 H new ATOM 358 N ASP A 24 -1.091 9.780 -0.577 1.00 0.00 N ATOM 359 CA ASP A 24 -2.118 9.100 0.265 1.00 0.00 C ATOM 360 C ASP A 24 -3.511 9.646 -0.056 1.00 0.00 C ATOM 361 O ASP A 24 -3.917 10.674 0.448 1.00 0.00 O ATOM 362 CB ASP A 24 -1.732 9.426 1.712 1.00 0.00 C ATOM 363 CG ASP A 24 -1.325 10.898 1.823 1.00 0.00 C ATOM 364 OD1 ASP A 24 -2.139 11.746 1.496 1.00 0.00 O ATOM 365 OD2 ASP A 24 -0.205 11.151 2.235 1.00 0.00 O ATOM 0 H ASP A 24 -0.303 10.176 -0.065 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.149 8.025 0.087 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -2.571 9.220 2.377 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -0.909 8.787 2.031 1.00 0.00 H new ATOM 370 N CYS A 25 -4.247 8.967 -0.891 1.00 0.00 N ATOM 371 CA CYS A 25 -5.614 9.457 -1.239 1.00 0.00 C ATOM 372 C CYS A 25 -6.459 8.324 -1.839 1.00 0.00 C ATOM 373 O CYS A 25 -5.942 7.327 -2.302 1.00 0.00 O ATOM 374 CB CYS A 25 -5.371 10.607 -2.239 1.00 0.00 C ATOM 375 SG CYS A 25 -6.006 10.219 -3.901 1.00 0.00 S ATOM 0 H CYS A 25 -3.965 8.099 -1.346 1.00 0.00 H new ATOM 0 HA CYS A 25 -6.177 9.802 -0.372 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -5.851 11.514 -1.871 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -4.303 10.814 -2.299 1.00 0.00 H new ATOM 380 N TYR A 26 -7.753 8.490 -1.855 1.00 0.00 N ATOM 381 CA TYR A 26 -8.632 7.437 -2.453 1.00 0.00 C ATOM 382 C TYR A 26 -10.002 8.030 -2.790 1.00 0.00 C ATOM 383 O TYR A 26 -10.264 9.181 -2.525 1.00 0.00 O ATOM 384 CB TYR A 26 -8.731 6.321 -1.406 1.00 0.00 C ATOM 385 CG TYR A 26 -9.648 6.719 -0.273 1.00 0.00 C ATOM 386 CD1 TYR A 26 -11.035 6.754 -0.465 1.00 0.00 C ATOM 387 CD2 TYR A 26 -9.107 7.035 0.979 1.00 0.00 C ATOM 388 CE1 TYR A 26 -11.880 7.106 0.595 1.00 0.00 C ATOM 389 CE2 TYR A 26 -9.952 7.389 2.037 1.00 0.00 C ATOM 390 CZ TYR A 26 -11.338 7.424 1.845 1.00 0.00 C ATOM 391 OH TYR A 26 -12.170 7.772 2.890 1.00 0.00 O ATOM 0 H TYR A 26 -8.241 9.304 -1.482 1.00 0.00 H new ATOM 0 HA TYR A 26 -8.229 7.044 -3.386 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -9.102 5.410 -1.875 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -7.739 6.097 -1.014 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -11.453 6.510 -1.430 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -8.038 7.006 1.128 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -12.950 7.132 0.448 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -9.534 7.635 3.002 1.00 0.00 H new ATOM 0 HH TYR A 26 -11.632 7.961 3.687 1.00 0.00 H new ATOM 401 N HIS A 27 -10.877 7.267 -3.379 1.00 0.00 N ATOM 402 CA HIS A 27 -12.214 7.826 -3.725 1.00 0.00 C ATOM 403 C HIS A 27 -13.304 7.207 -2.835 1.00 0.00 C ATOM 404 O HIS A 27 -13.327 7.425 -1.641 1.00 0.00 O ATOM 405 CB HIS A 27 -12.421 7.466 -5.197 1.00 0.00 C ATOM 406 CG HIS A 27 -13.662 8.143 -5.710 1.00 0.00 C ATOM 407 ND1 HIS A 27 -14.800 8.574 -5.075 1.00 0.00 N flip ATOM 408 CD2 HIS A 27 -13.835 8.454 -7.050 1.00 0.00 C flip ATOM 409 CE1 HIS A 27 -15.667 9.144 -6.003 1.00 0.00 C flip ATOM 410 NE2 HIS A 27 -15.037 9.046 -7.177 1.00 0.00 N flip ATOM 0 H HIS A 27 -10.729 6.291 -3.634 1.00 0.00 H new ATOM 0 HA HIS A 27 -12.270 8.903 -3.564 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -11.556 7.776 -5.783 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -12.511 6.385 -5.309 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -13.133 8.257 -7.847 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -16.640 9.573 -5.814 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -15.420 9.379 -8.062 1.00 0.00 H new ATOM 418 N GLY A 28 -14.211 6.447 -3.400 1.00 0.00 N ATOM 419 CA GLY A 28 -15.291 5.830 -2.573 1.00 0.00 C ATOM 420 C GLY A 28 -14.687 5.207 -1.318 1.00 0.00 C ATOM 421 O GLY A 28 -14.437 5.878 -0.336 1.00 0.00 O ATOM 0 H GLY A 28 -14.249 6.229 -4.396 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -16.027 6.585 -2.297 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -15.816 5.070 -3.152 1.00 0.00 H new ATOM 425 N ASP A 29 -14.444 3.928 -1.340 1.00 0.00 N ATOM 426 CA ASP A 29 -13.844 3.271 -0.148 1.00 0.00 C ATOM 427 C ASP A 29 -12.586 2.530 -0.563 1.00 0.00 C ATOM 428 O ASP A 29 -12.480 1.328 -0.427 1.00 0.00 O ATOM 429 CB ASP A 29 -14.909 2.304 0.374 1.00 0.00 C ATOM 430 CG ASP A 29 -15.321 2.709 1.792 1.00 0.00 C ATOM 431 OD1 ASP A 29 -14.784 3.684 2.290 1.00 0.00 O ATOM 432 OD2 ASP A 29 -16.169 2.036 2.355 1.00 0.00 O ATOM 0 H ASP A 29 -14.634 3.311 -2.129 1.00 0.00 H new ATOM 0 HA ASP A 29 -13.559 3.985 0.624 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -15.778 2.314 -0.285 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -14.521 1.285 0.374 1.00 0.00 H new ATOM 437 N GLY A 30 -11.641 3.244 -1.104 1.00 0.00 N ATOM 438 CA GLY A 30 -10.397 2.584 -1.568 1.00 0.00 C ATOM 439 C GLY A 30 -10.734 1.761 -2.809 1.00 0.00 C ATOM 440 O GLY A 30 -9.905 1.052 -3.343 1.00 0.00 O ATOM 0 H GLY A 30 -11.678 4.254 -1.244 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -9.635 3.328 -1.800 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -9.990 1.944 -0.785 1.00 0.00 H new ATOM 444 N GLN A 31 -11.956 1.852 -3.274 1.00 0.00 N ATOM 445 CA GLN A 31 -12.349 1.073 -4.483 1.00 0.00 C ATOM 446 C GLN A 31 -11.878 1.790 -5.751 1.00 0.00 C ATOM 447 O GLN A 31 -11.932 3.000 -5.848 1.00 0.00 O ATOM 448 CB GLN A 31 -13.875 1.010 -4.436 1.00 0.00 C ATOM 449 CG GLN A 31 -14.314 -0.389 -3.999 1.00 0.00 C ATOM 450 CD GLN A 31 -14.889 -1.143 -5.200 1.00 0.00 C ATOM 451 OE1 GLN A 31 -15.973 -0.843 -5.659 1.00 0.00 O ATOM 452 NE2 GLN A 31 -14.203 -2.118 -5.732 1.00 0.00 N ATOM 0 H GLN A 31 -12.693 2.430 -2.869 1.00 0.00 H new ATOM 0 HA GLN A 31 -11.902 0.079 -4.497 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -14.259 1.757 -3.741 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -14.290 1.243 -5.417 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -13.466 -0.935 -3.586 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -15.062 -0.317 -3.210 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -13.293 -2.370 -5.347 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -14.577 -2.627 -6.533 1.00 0.00 H new ATOM 461 N SER A 32 -11.415 1.051 -6.723 1.00 0.00 N ATOM 462 CA SER A 32 -10.936 1.686 -7.988 1.00 0.00 C ATOM 463 C SER A 32 -9.637 2.456 -7.734 1.00 0.00 C ATOM 464 O SER A 32 -9.117 3.119 -8.610 1.00 0.00 O ATOM 465 CB SER A 32 -12.054 2.641 -8.408 1.00 0.00 C ATOM 466 OG SER A 32 -12.089 2.727 -9.827 1.00 0.00 O ATOM 0 H SER A 32 -11.347 0.034 -6.697 1.00 0.00 H new ATOM 0 HA SER A 32 -10.723 0.949 -8.762 1.00 0.00 H new ATOM 0 HB2 SER A 32 -13.013 2.286 -8.030 1.00 0.00 H new ATOM 0 HB3 SER A 32 -11.887 3.628 -7.976 1.00 0.00 H new ATOM 0 HG SER A 32 -12.806 3.337 -10.100 1.00 0.00 H new ATOM 472 N TYR A 33 -9.108 2.372 -6.544 1.00 0.00 N ATOM 473 CA TYR A 33 -7.843 3.096 -6.235 1.00 0.00 C ATOM 474 C TYR A 33 -6.763 2.734 -7.259 1.00 0.00 C ATOM 475 O TYR A 33 -5.993 1.816 -7.064 1.00 0.00 O ATOM 476 CB TYR A 33 -7.444 2.611 -4.841 1.00 0.00 C ATOM 477 CG TYR A 33 -6.111 3.207 -4.461 1.00 0.00 C ATOM 478 CD1 TYR A 33 -5.840 4.550 -4.746 1.00 0.00 C ATOM 479 CD2 TYR A 33 -5.147 2.418 -3.823 1.00 0.00 C ATOM 480 CE1 TYR A 33 -4.604 5.105 -4.394 1.00 0.00 C ATOM 481 CE2 TYR A 33 -3.912 2.972 -3.470 1.00 0.00 C ATOM 482 CZ TYR A 33 -3.639 4.316 -3.755 1.00 0.00 C ATOM 483 OH TYR A 33 -2.421 4.862 -3.408 1.00 0.00 O ATOM 0 H TYR A 33 -9.498 1.832 -5.771 1.00 0.00 H new ATOM 0 HA TYR A 33 -7.965 4.179 -6.272 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -8.203 2.899 -4.114 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -7.385 1.523 -4.827 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -6.585 5.158 -5.238 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -5.357 1.382 -3.603 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -4.395 6.141 -4.615 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -3.168 2.363 -2.977 1.00 0.00 H new ATOM 0 HH TYR A 33 -2.182 4.578 -2.501 1.00 0.00 H new ATOM 493 N ARG A 34 -6.702 3.451 -8.348 1.00 0.00 N ATOM 494 CA ARG A 34 -5.673 3.151 -9.385 1.00 0.00 C ATOM 495 C ARG A 34 -4.270 3.398 -8.823 1.00 0.00 C ATOM 496 O ARG A 34 -3.981 4.452 -8.293 1.00 0.00 O ATOM 497 CB ARG A 34 -5.971 4.124 -10.526 1.00 0.00 C ATOM 498 CG ARG A 34 -6.634 3.371 -11.680 1.00 0.00 C ATOM 499 CD ARG A 34 -5.604 2.467 -12.358 1.00 0.00 C ATOM 500 NE ARG A 34 -5.446 3.025 -13.729 1.00 0.00 N ATOM 501 CZ ARG A 34 -5.738 2.293 -14.769 1.00 0.00 C ATOM 502 NH1 ARG A 34 -6.976 2.191 -15.168 1.00 0.00 N ATOM 503 NH2 ARG A 34 -4.792 1.660 -15.408 1.00 0.00 N ATOM 0 H ARG A 34 -7.321 4.232 -8.565 1.00 0.00 H new ATOM 0 HA ARG A 34 -5.706 2.112 -9.714 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -6.625 4.922 -10.176 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -5.049 4.594 -10.867 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -7.468 2.775 -11.308 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -7.044 4.078 -12.401 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -4.657 2.473 -11.818 1.00 0.00 H new ATOM 0 HD3 ARG A 34 -5.947 1.433 -12.390 1.00 0.00 H new ATOM 0 HE ARG A 34 -5.109 3.980 -13.855 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -7.716 2.683 -14.667 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -7.204 1.619 -15.981 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -3.825 1.738 -15.094 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -5.020 1.088 -16.221 1.00 0.00 H new ATOM 517 N GLY A 35 -3.396 2.435 -8.933 1.00 0.00 N ATOM 518 CA GLY A 35 -2.015 2.622 -8.404 1.00 0.00 C ATOM 519 C GLY A 35 -1.657 1.459 -7.477 1.00 0.00 C ATOM 520 O GLY A 35 -2.505 0.890 -6.819 1.00 0.00 O ATOM 0 H GLY A 35 -3.578 1.529 -9.365 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.304 2.675 -9.228 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.947 3.566 -7.863 1.00 0.00 H new ATOM 524 N SER A 36 -0.403 1.105 -7.418 1.00 0.00 N ATOM 525 CA SER A 36 0.019 -0.017 -6.533 1.00 0.00 C ATOM 526 C SER A 36 0.624 0.539 -5.241 1.00 0.00 C ATOM 527 O SER A 36 1.811 0.433 -5.002 1.00 0.00 O ATOM 528 CB SER A 36 1.071 -0.779 -7.338 1.00 0.00 C ATOM 529 OG SER A 36 1.585 0.069 -8.358 1.00 0.00 O ATOM 0 H SER A 36 0.350 1.546 -7.946 1.00 0.00 H new ATOM 0 HA SER A 36 -0.813 -0.659 -6.245 1.00 0.00 H new ATOM 0 HB2 SER A 36 1.877 -1.110 -6.684 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.631 -1.673 -7.779 1.00 0.00 H new ATOM 0 HG SER A 36 2.262 -0.415 -8.876 1.00 0.00 H new ATOM 535 N PHE A 37 -0.185 1.141 -4.415 1.00 0.00 N ATOM 536 CA PHE A 37 0.336 1.720 -3.142 1.00 0.00 C ATOM 537 C PHE A 37 0.907 0.638 -2.229 1.00 0.00 C ATOM 538 O PHE A 37 0.353 0.329 -1.193 1.00 0.00 O ATOM 539 CB PHE A 37 -0.869 2.400 -2.492 1.00 0.00 C ATOM 540 CG PHE A 37 -0.391 3.375 -1.442 1.00 0.00 C ATOM 541 CD1 PHE A 37 -0.145 2.935 -0.136 1.00 0.00 C ATOM 542 CD2 PHE A 37 -0.195 4.721 -1.776 1.00 0.00 C ATOM 543 CE1 PHE A 37 0.297 3.842 0.836 1.00 0.00 C ATOM 544 CE2 PHE A 37 0.246 5.626 -0.804 1.00 0.00 C ATOM 545 CZ PHE A 37 0.493 5.187 0.501 1.00 0.00 C ATOM 0 H PHE A 37 -1.187 1.258 -4.565 1.00 0.00 H new ATOM 0 HA PHE A 37 1.153 2.418 -3.324 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.457 2.922 -3.247 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -1.522 1.653 -2.040 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -0.296 1.897 0.122 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -0.384 5.060 -2.784 1.00 0.00 H new ATOM 0 HE1 PHE A 37 0.487 3.503 1.844 1.00 0.00 H new ATOM 0 HE2 PHE A 37 0.396 6.664 -1.062 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.835 5.886 1.250 1.00 0.00 H new ATOM 555 N SER A 38 2.028 0.078 -2.592 1.00 0.00 N ATOM 556 CA SER A 38 2.676 -0.969 -1.742 1.00 0.00 C ATOM 557 C SER A 38 3.116 -0.393 -0.386 1.00 0.00 C ATOM 558 O SER A 38 4.206 -0.660 0.078 1.00 0.00 O ATOM 559 CB SER A 38 3.905 -1.389 -2.546 1.00 0.00 C ATOM 560 OG SER A 38 4.542 -0.227 -3.062 1.00 0.00 O ATOM 0 H SER A 38 2.531 0.302 -3.451 1.00 0.00 H new ATOM 0 HA SER A 38 1.998 -1.794 -1.523 1.00 0.00 H new ATOM 0 HB2 SER A 38 4.595 -1.947 -1.914 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.613 -2.051 -3.361 1.00 0.00 H new ATOM 0 HG SER A 38 5.333 -0.489 -3.578 1.00 0.00 H new ATOM 566 N THR A 39 2.285 0.382 0.260 1.00 0.00 N ATOM 567 CA THR A 39 2.672 0.949 1.581 1.00 0.00 C ATOM 568 C THR A 39 1.467 0.928 2.522 1.00 0.00 C ATOM 569 O THR A 39 0.415 1.446 2.209 1.00 0.00 O ATOM 570 CB THR A 39 3.104 2.386 1.292 1.00 0.00 C ATOM 571 OG1 THR A 39 2.592 2.790 0.029 1.00 0.00 O ATOM 572 CG2 THR A 39 4.631 2.467 1.276 1.00 0.00 C ATOM 0 H THR A 39 1.357 0.645 -0.071 1.00 0.00 H new ATOM 0 HA THR A 39 3.469 0.381 2.061 1.00 0.00 H new ATOM 0 HB THR A 39 2.715 3.045 2.068 1.00 0.00 H new ATOM 0 HG1 THR A 39 1.869 3.438 0.161 1.00 0.00 H new ATOM 0 HG21 THR A 39 4.939 3.492 1.070 1.00 0.00 H new ATOM 0 HG22 THR A 39 5.022 2.159 2.246 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.022 1.808 0.501 1.00 0.00 H new ATOM 580 N THR A 40 1.608 0.329 3.670 1.00 0.00 N ATOM 581 CA THR A 40 0.463 0.276 4.621 1.00 0.00 C ATOM 582 C THR A 40 0.314 1.614 5.346 1.00 0.00 C ATOM 583 O THR A 40 1.099 2.524 5.165 1.00 0.00 O ATOM 584 CB THR A 40 0.815 -0.835 5.613 1.00 0.00 C ATOM 585 OG1 THR A 40 1.896 -0.411 6.431 1.00 0.00 O ATOM 586 CG2 THR A 40 1.214 -2.106 4.858 1.00 0.00 C ATOM 0 H THR A 40 2.463 -0.125 3.991 1.00 0.00 H new ATOM 0 HA THR A 40 -0.482 0.082 4.114 1.00 0.00 H new ATOM 0 HB THR A 40 -0.055 -1.049 6.234 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.874 -0.898 7.281 1.00 0.00 H new ATOM 0 HG21 THR A 40 1.463 -2.891 5.572 1.00 0.00 H new ATOM 0 HG22 THR A 40 0.383 -2.434 4.233 1.00 0.00 H new ATOM 0 HG23 THR A 40 2.081 -1.899 4.230 1.00 0.00 H new ATOM 594 N VAL A 41 -0.692 1.739 6.167 1.00 0.00 N ATOM 595 CA VAL A 41 -0.900 3.014 6.907 1.00 0.00 C ATOM 596 C VAL A 41 0.409 3.470 7.552 1.00 0.00 C ATOM 597 O VAL A 41 0.608 4.639 7.817 1.00 0.00 O ATOM 598 CB VAL A 41 -1.937 2.678 7.978 1.00 0.00 C ATOM 599 CG1 VAL A 41 -1.945 3.776 9.044 1.00 0.00 C ATOM 600 CG2 VAL A 41 -3.321 2.583 7.331 1.00 0.00 C ATOM 0 H VAL A 41 -1.380 1.011 6.357 1.00 0.00 H new ATOM 0 HA VAL A 41 -1.230 3.824 6.256 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.686 1.725 8.443 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.685 3.536 9.808 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.959 3.845 9.503 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -2.197 4.730 8.582 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -4.063 2.343 8.093 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -3.572 3.537 6.867 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -3.315 1.801 6.572 1.00 0.00 H new ATOM 610 N THR A 42 1.304 2.558 7.807 1.00 0.00 N ATOM 611 CA THR A 42 2.599 2.943 8.436 1.00 0.00 C ATOM 612 C THR A 42 3.635 3.271 7.357 1.00 0.00 C ATOM 613 O THR A 42 4.608 3.954 7.605 1.00 0.00 O ATOM 614 CB THR A 42 3.030 1.713 9.237 1.00 0.00 C ATOM 615 OG1 THR A 42 1.981 1.329 10.115 1.00 0.00 O ATOM 616 CG2 THR A 42 4.283 2.043 10.049 1.00 0.00 C ATOM 0 H THR A 42 1.196 1.564 7.608 1.00 0.00 H new ATOM 0 HA THR A 42 2.506 3.828 9.065 1.00 0.00 H new ATOM 0 HB THR A 42 3.249 0.893 8.553 1.00 0.00 H new ATOM 0 HG1 THR A 42 2.256 0.540 10.627 1.00 0.00 H new ATOM 0 HG21 THR A 42 4.589 1.166 10.619 1.00 0.00 H new ATOM 0 HG22 THR A 42 5.087 2.336 9.374 1.00 0.00 H new ATOM 0 HG23 THR A 42 4.067 2.863 10.734 1.00 0.00 H new ATOM 624 N GLY A 43 3.438 2.784 6.163 1.00 0.00 N ATOM 625 CA GLY A 43 4.418 3.061 5.075 1.00 0.00 C ATOM 626 C GLY A 43 5.255 1.806 4.842 1.00 0.00 C ATOM 627 O GLY A 43 6.352 1.859 4.321 1.00 0.00 O ATOM 0 H GLY A 43 2.641 2.207 5.894 1.00 0.00 H new ATOM 0 HA2 GLY A 43 3.897 3.344 4.160 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.060 3.898 5.348 1.00 0.00 H new ATOM 631 N ARG A 44 4.740 0.678 5.239 1.00 0.00 N ATOM 632 CA ARG A 44 5.484 -0.599 5.065 1.00 0.00 C ATOM 633 C ARG A 44 5.530 -1.012 3.594 1.00 0.00 C ATOM 634 O ARG A 44 5.366 -0.207 2.700 1.00 0.00 O ATOM 635 CB ARG A 44 4.686 -1.607 5.888 1.00 0.00 C ATOM 636 CG ARG A 44 4.865 -1.296 7.373 1.00 0.00 C ATOM 637 CD ARG A 44 5.797 -2.332 8.002 1.00 0.00 C ATOM 638 NE ARG A 44 5.032 -2.880 9.154 1.00 0.00 N ATOM 639 CZ ARG A 44 5.646 -3.152 10.273 1.00 0.00 C ATOM 640 NH1 ARG A 44 6.777 -3.803 10.255 1.00 0.00 N ATOM 641 NH2 ARG A 44 5.128 -2.774 11.410 1.00 0.00 N ATOM 0 H ARG A 44 3.826 0.585 5.681 1.00 0.00 H new ATOM 0 HA ARG A 44 6.523 -0.523 5.386 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.631 -1.560 5.619 1.00 0.00 H new ATOM 0 HB3 ARG A 44 5.025 -2.620 5.673 1.00 0.00 H new ATOM 0 HG2 ARG A 44 5.279 -0.295 7.499 1.00 0.00 H new ATOM 0 HG3 ARG A 44 3.899 -1.307 7.877 1.00 0.00 H new ATOM 0 HD2 ARG A 44 6.056 -3.116 7.290 1.00 0.00 H new ATOM 0 HD3 ARG A 44 6.732 -1.877 8.328 1.00 0.00 H new ATOM 0 HE ARG A 44 4.029 -3.043 9.069 1.00 0.00 H new ATOM 0 HH11 ARG A 44 7.181 -4.099 9.366 1.00 0.00 H new ATOM 0 HH12 ARG A 44 7.257 -4.016 11.130 1.00 0.00 H new ATOM 0 HH21 ARG A 44 4.244 -2.266 11.424 1.00 0.00 H new ATOM 0 HH22 ARG A 44 5.608 -2.987 12.285 1.00 0.00 H new ATOM 655 N THR A 45 5.771 -2.266 3.347 1.00 0.00 N ATOM 656 CA THR A 45 5.853 -2.765 1.943 1.00 0.00 C ATOM 657 C THR A 45 4.799 -3.853 1.712 1.00 0.00 C ATOM 658 O THR A 45 4.982 -4.733 0.903 1.00 0.00 O ATOM 659 CB THR A 45 7.254 -3.362 1.852 1.00 0.00 C ATOM 660 OG1 THR A 45 7.639 -3.477 0.490 1.00 0.00 O ATOM 661 CG2 THR A 45 7.250 -4.739 2.510 1.00 0.00 C ATOM 0 H THR A 45 5.917 -2.977 4.064 1.00 0.00 H new ATOM 0 HA THR A 45 5.675 -1.986 1.201 1.00 0.00 H new ATOM 0 HB THR A 45 7.965 -2.714 2.365 1.00 0.00 H new ATOM 0 HG1 THR A 45 8.540 -3.859 0.436 1.00 0.00 H new ATOM 0 HG21 THR A 45 8.248 -5.174 2.450 1.00 0.00 H new ATOM 0 HG22 THR A 45 6.959 -4.642 3.556 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.540 -5.386 1.995 1.00 0.00 H new ATOM 669 N CYS A 46 3.729 -3.785 2.454 1.00 0.00 N ATOM 670 CA CYS A 46 2.615 -4.789 2.376 1.00 0.00 C ATOM 671 C CYS A 46 3.058 -6.094 1.706 1.00 0.00 C ATOM 672 O CYS A 46 3.300 -6.149 0.517 1.00 0.00 O ATOM 673 CB CYS A 46 1.505 -4.106 1.581 1.00 0.00 C ATOM 674 SG CYS A 46 0.092 -3.832 2.679 1.00 0.00 S ATOM 0 H CYS A 46 3.570 -3.047 3.140 1.00 0.00 H new ATOM 0 HA CYS A 46 2.281 -5.080 3.372 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.858 -3.158 1.176 1.00 0.00 H new ATOM 0 HB3 CYS A 46 1.211 -4.725 0.733 1.00 0.00 H new ATOM 679 N GLN A 47 3.164 -7.151 2.464 1.00 0.00 N ATOM 680 CA GLN A 47 3.608 -8.444 1.873 1.00 0.00 C ATOM 681 C GLN A 47 2.722 -8.827 0.690 1.00 0.00 C ATOM 682 O GLN A 47 1.531 -9.020 0.829 1.00 0.00 O ATOM 683 CB GLN A 47 3.450 -9.478 2.986 1.00 0.00 C ATOM 684 CG GLN A 47 3.719 -10.872 2.422 1.00 0.00 C ATOM 685 CD GLN A 47 5.095 -10.889 1.755 1.00 0.00 C ATOM 686 OE1 GLN A 47 5.212 -10.643 0.571 1.00 0.00 O ATOM 687 NE2 GLN A 47 6.150 -11.167 2.471 1.00 0.00 N ATOM 0 H GLN A 47 2.963 -7.175 3.464 1.00 0.00 H new ATOM 0 HA GLN A 47 4.633 -8.382 1.507 1.00 0.00 H new ATOM 0 HB2 GLN A 47 4.143 -9.262 3.799 1.00 0.00 H new ATOM 0 HB3 GLN A 47 2.444 -9.430 3.403 1.00 0.00 H new ATOM 0 HG2 GLN A 47 3.679 -11.614 3.220 1.00 0.00 H new ATOM 0 HG3 GLN A 47 2.948 -11.140 1.699 1.00 0.00 H new ATOM 0 HE21 GLN A 47 6.052 -11.374 3.465 1.00 0.00 H new ATOM 0 HE22 GLN A 47 7.073 -11.178 2.037 1.00 0.00 H new ATOM 696 N SER A 48 3.296 -8.941 -0.474 1.00 0.00 N ATOM 697 CA SER A 48 2.490 -9.316 -1.666 1.00 0.00 C ATOM 698 C SER A 48 1.516 -10.439 -1.314 1.00 0.00 C ATOM 699 O SER A 48 1.753 -11.221 -0.414 1.00 0.00 O ATOM 700 CB SER A 48 3.505 -9.803 -2.698 1.00 0.00 C ATOM 701 OG SER A 48 4.388 -8.741 -3.030 1.00 0.00 O ATOM 0 H SER A 48 4.289 -8.790 -0.651 1.00 0.00 H new ATOM 0 HA SER A 48 1.897 -8.480 -2.037 1.00 0.00 H new ATOM 0 HB2 SER A 48 4.068 -10.647 -2.300 1.00 0.00 H new ATOM 0 HB3 SER A 48 2.990 -10.156 -3.592 1.00 0.00 H new ATOM 0 HG SER A 48 5.208 -9.108 -3.422 1.00 0.00 H new ATOM 707 N TRP A 49 0.428 -10.532 -2.024 1.00 0.00 N ATOM 708 CA TRP A 49 -0.553 -11.616 -1.735 1.00 0.00 C ATOM 709 C TRP A 49 0.068 -12.968 -2.079 1.00 0.00 C ATOM 710 O TRP A 49 -0.270 -13.986 -1.511 1.00 0.00 O ATOM 711 CB TRP A 49 -1.745 -11.332 -2.645 1.00 0.00 C ATOM 712 CG TRP A 49 -2.124 -9.892 -2.541 1.00 0.00 C ATOM 713 CD1 TRP A 49 -1.759 -8.929 -3.408 1.00 0.00 C ATOM 714 CD2 TRP A 49 -2.937 -9.239 -1.530 1.00 0.00 C ATOM 715 NE1 TRP A 49 -2.298 -7.731 -2.992 1.00 0.00 N ATOM 716 CE2 TRP A 49 -3.032 -7.870 -1.841 1.00 0.00 C ATOM 717 CE3 TRP A 49 -3.592 -9.701 -0.390 1.00 0.00 C ATOM 718 CZ2 TRP A 49 -3.755 -6.986 -1.046 1.00 0.00 C ATOM 719 CZ3 TRP A 49 -4.325 -8.822 0.422 1.00 0.00 C ATOM 720 CH2 TRP A 49 -4.406 -7.463 0.094 1.00 0.00 C ATOM 0 H TRP A 49 0.175 -9.907 -2.790 1.00 0.00 H new ATOM 0 HA TRP A 49 -0.846 -11.645 -0.686 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -1.494 -11.579 -3.677 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -2.589 -11.962 -2.363 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -1.145 -9.072 -4.285 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -2.167 -6.846 -3.482 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -3.535 -10.747 -0.129 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -3.812 -5.940 -1.308 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -4.828 -9.195 1.302 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -4.969 -6.787 0.720 1.00 0.00 H new ATOM 731 N SER A 50 0.986 -12.975 -3.005 1.00 0.00 N ATOM 732 CA SER A 50 1.652 -14.248 -3.398 1.00 0.00 C ATOM 733 C SER A 50 2.711 -14.639 -2.360 1.00 0.00 C ATOM 734 O SER A 50 3.505 -15.532 -2.579 1.00 0.00 O ATOM 735 CB SER A 50 2.308 -13.940 -4.742 1.00 0.00 C ATOM 736 OG SER A 50 2.757 -15.150 -5.336 1.00 0.00 O ATOM 0 H SER A 50 1.305 -12.148 -3.510 1.00 0.00 H new ATOM 0 HA SER A 50 0.952 -15.081 -3.461 1.00 0.00 H new ATOM 0 HB2 SER A 50 1.597 -13.441 -5.400 1.00 0.00 H new ATOM 0 HB3 SER A 50 3.146 -13.258 -4.602 1.00 0.00 H new ATOM 0 HG SER A 50 3.139 -15.731 -4.646 1.00 0.00 H new ATOM 742 N SER A 51 2.733 -13.976 -1.235 1.00 0.00 N ATOM 743 CA SER A 51 3.741 -14.306 -0.191 1.00 0.00 C ATOM 744 C SER A 51 3.422 -15.659 0.438 1.00 0.00 C ATOM 745 O SER A 51 2.388 -15.844 1.049 1.00 0.00 O ATOM 746 CB SER A 51 3.612 -13.192 0.844 1.00 0.00 C ATOM 747 OG SER A 51 2.302 -13.217 1.399 1.00 0.00 O ATOM 0 H SER A 51 2.094 -13.218 -0.995 1.00 0.00 H new ATOM 0 HA SER A 51 4.751 -14.374 -0.596 1.00 0.00 H new ATOM 0 HB2 SER A 51 4.355 -13.322 1.630 1.00 0.00 H new ATOM 0 HB3 SER A 51 3.805 -12.225 0.380 1.00 0.00 H new ATOM 0 HG SER A 51 1.902 -14.099 1.253 1.00 0.00 H new ATOM 753 N MET A 52 4.301 -16.608 0.295 1.00 0.00 N ATOM 754 CA MET A 52 4.042 -17.945 0.887 1.00 0.00 C ATOM 755 C MET A 52 5.126 -18.278 1.916 1.00 0.00 C ATOM 756 O MET A 52 5.371 -19.425 2.231 1.00 0.00 O ATOM 757 CB MET A 52 4.074 -18.921 -0.294 1.00 0.00 C ATOM 758 CG MET A 52 3.192 -18.392 -1.430 1.00 0.00 C ATOM 759 SD MET A 52 1.593 -19.218 -1.385 1.00 0.00 S ATOM 760 CE MET A 52 1.066 -18.460 0.160 1.00 0.00 C ATOM 0 H MET A 52 5.185 -16.515 -0.205 1.00 0.00 H new ATOM 0 HA MET A 52 3.088 -17.994 1.412 1.00 0.00 H new ATOM 0 HB2 MET A 52 5.098 -19.047 -0.645 1.00 0.00 H new ATOM 0 HB3 MET A 52 3.723 -19.903 0.024 1.00 0.00 H new ATOM 0 HG2 MET A 52 3.059 -17.315 -1.330 1.00 0.00 H new ATOM 0 HG3 MET A 52 3.676 -18.566 -2.391 1.00 0.00 H new ATOM 0 HE1 MET A 52 0.063 -18.805 0.411 1.00 0.00 H new ATOM 0 HE2 MET A 52 1.756 -18.740 0.956 1.00 0.00 H new ATOM 0 HE3 MET A 52 1.060 -17.376 0.050 1.00 0.00 H new ATOM 770 N THR A 53 5.768 -17.272 2.446 1.00 0.00 N ATOM 771 CA THR A 53 6.830 -17.514 3.465 1.00 0.00 C ATOM 772 C THR A 53 6.288 -17.227 4.874 1.00 0.00 C ATOM 773 O THR A 53 6.148 -18.133 5.671 1.00 0.00 O ATOM 774 CB THR A 53 7.966 -16.554 3.105 1.00 0.00 C ATOM 775 OG1 THR A 53 7.482 -15.564 2.207 1.00 0.00 O ATOM 776 CG2 THR A 53 9.106 -17.331 2.446 1.00 0.00 C ATOM 0 H THR A 53 5.603 -16.292 2.217 1.00 0.00 H new ATOM 0 HA THR A 53 7.172 -18.549 3.467 1.00 0.00 H new ATOM 0 HB THR A 53 8.335 -16.073 4.011 1.00 0.00 H new ATOM 0 HG1 THR A 53 8.208 -14.948 1.977 1.00 0.00 H new ATOM 0 HG21 THR A 53 9.914 -16.645 2.191 1.00 0.00 H new ATOM 0 HG22 THR A 53 9.477 -18.088 3.137 1.00 0.00 H new ATOM 0 HG23 THR A 53 8.741 -17.815 1.540 1.00 0.00 H new ATOM 784 N PRO A 54 5.989 -15.975 5.142 1.00 0.00 N ATOM 785 CA PRO A 54 5.451 -15.600 6.475 1.00 0.00 C ATOM 786 C PRO A 54 4.001 -16.077 6.615 1.00 0.00 C ATOM 787 O PRO A 54 3.743 -17.186 7.040 1.00 0.00 O ATOM 788 CB PRO A 54 5.525 -14.076 6.480 1.00 0.00 C ATOM 789 CG PRO A 54 5.494 -13.682 5.039 1.00 0.00 C ATOM 790 CD PRO A 54 6.119 -14.809 4.257 1.00 0.00 C ATOM 0 HA PRO A 54 6.002 -16.048 7.302 1.00 0.00 H new ATOM 0 HB2 PRO A 54 4.687 -13.642 7.026 1.00 0.00 H new ATOM 0 HB3 PRO A 54 6.437 -13.727 6.965 1.00 0.00 H new ATOM 0 HG2 PRO A 54 4.470 -13.507 4.710 1.00 0.00 H new ATOM 0 HG3 PRO A 54 6.043 -12.753 4.882 1.00 0.00 H new ATOM 0 HD2 PRO A 54 5.606 -14.969 3.309 1.00 0.00 H new ATOM 0 HD3 PRO A 54 7.163 -14.601 4.023 1.00 0.00 H new ATOM 798 N HIS A 55 3.053 -15.252 6.258 1.00 0.00 N ATOM 799 CA HIS A 55 1.619 -15.670 6.370 1.00 0.00 C ATOM 800 C HIS A 55 1.165 -16.306 5.052 1.00 0.00 C ATOM 801 O HIS A 55 1.098 -15.653 4.030 1.00 0.00 O ATOM 802 CB HIS A 55 0.803 -14.393 6.654 1.00 0.00 C ATOM 803 CG HIS A 55 1.685 -13.302 7.206 1.00 0.00 C ATOM 804 ND1 HIS A 55 2.370 -12.425 6.381 1.00 0.00 N ATOM 805 CD2 HIS A 55 2.016 -12.946 8.490 1.00 0.00 C ATOM 806 CE1 HIS A 55 3.076 -11.594 7.168 1.00 0.00 C ATOM 807 NE2 HIS A 55 2.896 -11.867 8.464 1.00 0.00 N ATOM 0 H HIS A 55 3.205 -14.311 5.895 1.00 0.00 H new ATOM 0 HA HIS A 55 1.479 -16.403 7.165 1.00 0.00 H new ATOM 0 HB2 HIS A 55 0.325 -14.050 5.736 1.00 0.00 H new ATOM 0 HB3 HIS A 55 0.006 -14.616 7.364 1.00 0.00 H new ATOM 0 HD2 HIS A 55 1.650 -13.429 9.384 1.00 0.00 H new ATOM 0 HE1 HIS A 55 3.711 -10.803 6.798 1.00 0.00 H new ATOM 0 HE2 HIS A 55 3.313 -11.388 9.262 1.00 0.00 H new ATOM 815 N TRP A 56 0.864 -17.576 5.063 1.00 0.00 N ATOM 816 CA TRP A 56 0.428 -18.252 3.806 1.00 0.00 C ATOM 817 C TRP A 56 -1.099 -18.277 3.696 1.00 0.00 C ATOM 818 O TRP A 56 -1.797 -18.521 4.660 1.00 0.00 O ATOM 819 CB TRP A 56 0.970 -19.678 3.918 1.00 0.00 C ATOM 820 CG TRP A 56 0.931 -20.328 2.574 1.00 0.00 C ATOM 821 CD1 TRP A 56 -0.159 -20.430 1.789 1.00 0.00 C ATOM 822 CD2 TRP A 56 2.014 -20.944 1.834 1.00 0.00 C ATOM 823 NE1 TRP A 56 0.177 -21.080 0.626 1.00 0.00 N ATOM 824 CE2 TRP A 56 1.509 -21.420 0.603 1.00 0.00 C ATOM 825 CE3 TRP A 56 3.367 -21.135 2.112 1.00 0.00 C ATOM 826 CZ2 TRP A 56 2.322 -22.065 -0.321 1.00 0.00 C ATOM 827 CZ3 TRP A 56 4.192 -21.778 1.186 1.00 0.00 C ATOM 828 CH2 TRP A 56 3.674 -22.245 -0.031 1.00 0.00 C ATOM 0 H TRP A 56 0.901 -18.175 5.887 1.00 0.00 H new ATOM 0 HA TRP A 56 0.796 -17.732 2.921 1.00 0.00 H new ATOM 0 HB2 TRP A 56 1.992 -19.662 4.297 1.00 0.00 H new ATOM 0 HB3 TRP A 56 0.375 -20.251 4.629 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -1.143 -20.059 2.035 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -0.480 -21.285 -0.127 1.00 0.00 H new ATOM 0 HE3 TRP A 56 3.779 -20.784 3.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 1.911 -22.423 -1.254 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 5.239 -21.917 1.409 1.00 0.00 H new ATOM 0 HH2 TRP A 56 4.319 -22.742 -0.740 1.00 0.00 H new ATOM 839 N HIS A 57 -1.620 -18.046 2.519 1.00 0.00 N ATOM 840 CA HIS A 57 -3.100 -18.080 2.340 1.00 0.00 C ATOM 841 C HIS A 57 -3.454 -18.537 0.919 1.00 0.00 C ATOM 842 O HIS A 57 -2.606 -18.977 0.169 1.00 0.00 O ATOM 843 CB HIS A 57 -3.574 -16.644 2.603 1.00 0.00 C ATOM 844 CG HIS A 57 -3.388 -15.800 1.368 1.00 0.00 C ATOM 845 ND1 HIS A 57 -4.001 -14.646 0.945 1.00 0.00 N flip ATOM 846 CD2 HIS A 57 -2.474 -16.128 0.378 1.00 0.00 C flip ATOM 847 CE1 HIS A 57 -3.479 -14.264 -0.287 1.00 0.00 C flip ATOM 848 NE2 HIS A 57 -2.564 -15.191 -0.583 1.00 0.00 N flip ATOM 0 H HIS A 57 -1.085 -17.836 1.676 1.00 0.00 H new ATOM 0 HA HIS A 57 -3.583 -18.784 3.017 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -4.624 -16.648 2.895 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -3.014 -16.215 3.434 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -1.811 -16.980 0.378 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -3.755 -13.403 -0.877 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -2.002 -15.189 -1.434 1.00 0.00 H new ATOM 856 N GLN A 58 -4.703 -18.442 0.547 1.00 0.00 N ATOM 857 CA GLN A 58 -5.111 -18.877 -0.821 1.00 0.00 C ATOM 858 C GLN A 58 -5.924 -17.779 -1.513 1.00 0.00 C ATOM 859 O GLN A 58 -6.711 -18.044 -2.401 1.00 0.00 O ATOM 860 CB GLN A 58 -5.976 -20.118 -0.597 1.00 0.00 C ATOM 861 CG GLN A 58 -5.393 -21.299 -1.375 1.00 0.00 C ATOM 862 CD GLN A 58 -6.488 -22.339 -1.615 1.00 0.00 C ATOM 863 OE1 GLN A 58 -7.560 -22.252 -1.049 1.00 0.00 O ATOM 864 NE2 GLN A 58 -6.264 -23.328 -2.437 1.00 0.00 N ATOM 0 H GLN A 58 -5.458 -18.082 1.131 1.00 0.00 H new ATOM 0 HA GLN A 58 -4.252 -19.083 -1.459 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -6.020 -20.356 0.466 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -6.998 -19.924 -0.922 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -4.986 -20.957 -2.327 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -4.569 -21.744 -0.818 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -5.365 -23.402 -2.913 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -6.988 -24.027 -2.604 1.00 0.00 H new ATOM 873 N ARG A 59 -5.744 -16.549 -1.117 1.00 0.00 N ATOM 874 CA ARG A 59 -6.512 -15.442 -1.757 1.00 0.00 C ATOM 875 C ARG A 59 -5.588 -14.588 -2.629 1.00 0.00 C ATOM 876 O ARG A 59 -5.847 -13.426 -2.873 1.00 0.00 O ATOM 877 CB ARG A 59 -7.069 -14.619 -0.594 1.00 0.00 C ATOM 878 CG ARG A 59 -8.091 -15.456 0.179 1.00 0.00 C ATOM 879 CD ARG A 59 -9.452 -15.373 -0.516 1.00 0.00 C ATOM 880 NE ARG A 59 -9.757 -16.770 -0.931 1.00 0.00 N ATOM 881 CZ ARG A 59 -10.756 -17.410 -0.386 1.00 0.00 C ATOM 882 NH1 ARG A 59 -11.971 -17.221 -0.827 1.00 0.00 N ATOM 883 NH2 ARG A 59 -10.542 -18.239 0.599 1.00 0.00 N ATOM 0 H ARG A 59 -5.100 -16.262 -0.380 1.00 0.00 H new ATOM 0 HA ARG A 59 -7.304 -15.813 -2.408 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -6.260 -14.311 0.068 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -7.537 -13.709 -0.970 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -7.761 -16.493 0.232 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -8.172 -15.094 1.204 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -10.216 -14.985 0.157 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -9.416 -14.704 -1.376 1.00 0.00 H new ATOM 0 HE ARG A 59 -9.185 -17.227 -1.641 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -12.139 -16.574 -1.597 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -12.752 -17.721 -0.401 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -9.594 -18.387 0.944 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -11.323 -18.738 1.024 1.00 0.00 H new ATOM 897 N THR A 60 -4.512 -15.155 -3.101 1.00 0.00 N ATOM 898 CA THR A 60 -3.570 -14.377 -3.960 1.00 0.00 C ATOM 899 C THR A 60 -4.319 -13.674 -5.078 1.00 0.00 C ATOM 900 O THR A 60 -5.511 -13.838 -5.252 1.00 0.00 O ATOM 901 CB THR A 60 -2.627 -15.409 -4.580 1.00 0.00 C ATOM 902 OG1 THR A 60 -1.994 -14.837 -5.717 1.00 0.00 O ATOM 903 CG2 THR A 60 -3.423 -16.643 -5.010 1.00 0.00 C ATOM 0 H THR A 60 -4.243 -16.124 -2.930 1.00 0.00 H new ATOM 0 HA THR A 60 -3.046 -13.621 -3.375 1.00 0.00 H new ATOM 0 HB THR A 60 -1.876 -15.703 -3.847 1.00 0.00 H new ATOM 0 HG1 THR A 60 -1.387 -15.493 -6.118 1.00 0.00 H new ATOM 0 HG21 THR A 60 -2.748 -17.376 -5.451 1.00 0.00 H new ATOM 0 HG22 THR A 60 -3.915 -17.080 -4.141 1.00 0.00 H new ATOM 0 HG23 THR A 60 -4.174 -16.353 -5.745 1.00 0.00 H new ATOM 911 N THR A 61 -3.611 -12.921 -5.862 1.00 0.00 N ATOM 912 CA THR A 61 -4.254 -12.234 -7.003 1.00 0.00 C ATOM 913 C THR A 61 -4.483 -13.250 -8.112 1.00 0.00 C ATOM 914 O THR A 61 -5.204 -13.003 -9.058 1.00 0.00 O ATOM 915 CB THR A 61 -3.262 -11.163 -7.438 1.00 0.00 C ATOM 916 OG1 THR A 61 -1.957 -11.517 -7.001 1.00 0.00 O ATOM 917 CG2 THR A 61 -3.672 -9.834 -6.816 1.00 0.00 C ATOM 0 H THR A 61 -2.610 -12.752 -5.760 1.00 0.00 H new ATOM 0 HA THR A 61 -5.218 -11.792 -6.753 1.00 0.00 H new ATOM 0 HB THR A 61 -3.260 -11.076 -8.525 1.00 0.00 H new ATOM 0 HG1 THR A 61 -1.347 -11.529 -7.768 1.00 0.00 H new ATOM 0 HG21 THR A 61 -2.969 -9.058 -7.120 1.00 0.00 H new ATOM 0 HG22 THR A 61 -4.674 -9.568 -7.153 1.00 0.00 H new ATOM 0 HG23 THR A 61 -3.666 -9.924 -5.730 1.00 0.00 H new ATOM 925 N GLU A 62 -3.881 -14.408 -7.999 1.00 0.00 N ATOM 926 CA GLU A 62 -4.084 -15.433 -9.040 1.00 0.00 C ATOM 927 C GLU A 62 -5.511 -15.932 -8.939 1.00 0.00 C ATOM 928 O GLU A 62 -6.098 -16.396 -9.896 1.00 0.00 O ATOM 929 CB GLU A 62 -3.081 -16.544 -8.728 1.00 0.00 C ATOM 930 CG GLU A 62 -2.436 -17.030 -10.028 1.00 0.00 C ATOM 931 CD GLU A 62 -0.927 -17.182 -9.825 1.00 0.00 C ATOM 932 OE1 GLU A 62 -0.539 -17.757 -8.822 1.00 0.00 O ATOM 933 OE2 GLU A 62 -0.186 -16.720 -10.677 1.00 0.00 O ATOM 0 H GLU A 62 -3.264 -14.677 -7.232 1.00 0.00 H new ATOM 0 HA GLU A 62 -3.930 -15.059 -10.052 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -2.315 -16.176 -8.045 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -3.583 -17.372 -8.227 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -2.871 -17.983 -10.328 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -2.636 -16.322 -10.832 1.00 0.00 H new ATOM 940 N TYR A 63 -6.081 -15.806 -7.779 1.00 0.00 N ATOM 941 CA TYR A 63 -7.482 -16.233 -7.598 1.00 0.00 C ATOM 942 C TYR A 63 -8.382 -14.996 -7.624 1.00 0.00 C ATOM 943 O TYR A 63 -9.584 -15.086 -7.466 1.00 0.00 O ATOM 944 CB TYR A 63 -7.526 -16.917 -6.232 1.00 0.00 C ATOM 945 CG TYR A 63 -7.933 -18.362 -6.405 1.00 0.00 C ATOM 946 CD1 TYR A 63 -7.308 -19.155 -7.376 1.00 0.00 C ATOM 947 CD2 TYR A 63 -8.935 -18.909 -5.595 1.00 0.00 C ATOM 948 CE1 TYR A 63 -7.686 -20.494 -7.535 1.00 0.00 C ATOM 949 CE2 TYR A 63 -9.312 -20.248 -5.755 1.00 0.00 C ATOM 950 CZ TYR A 63 -8.687 -21.041 -6.725 1.00 0.00 C ATOM 951 OH TYR A 63 -9.058 -22.361 -6.882 1.00 0.00 O ATOM 0 H TYR A 63 -5.632 -15.423 -6.947 1.00 0.00 H new ATOM 0 HA TYR A 63 -7.827 -16.908 -8.381 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -6.549 -16.858 -5.752 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -8.233 -16.405 -5.579 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -6.535 -18.734 -8.002 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -9.417 -18.298 -4.846 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -7.204 -21.105 -8.284 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -10.085 -20.669 -5.130 1.00 0.00 H new ATOM 0 HH TYR A 63 -9.765 -22.581 -6.240 1.00 0.00 H new ATOM 961 N TYR A 64 -7.806 -13.834 -7.827 1.00 0.00 N ATOM 962 CA TYR A 64 -8.636 -12.594 -7.865 1.00 0.00 C ATOM 963 C TYR A 64 -7.948 -11.525 -8.717 1.00 0.00 C ATOM 964 O TYR A 64 -7.497 -10.518 -8.208 1.00 0.00 O ATOM 965 CB TYR A 64 -8.741 -12.139 -6.408 1.00 0.00 C ATOM 966 CG TYR A 64 -10.043 -12.629 -5.822 1.00 0.00 C ATOM 967 CD1 TYR A 64 -11.247 -12.392 -6.496 1.00 0.00 C ATOM 968 CD2 TYR A 64 -10.047 -13.322 -4.605 1.00 0.00 C ATOM 969 CE1 TYR A 64 -12.455 -12.848 -5.954 1.00 0.00 C ATOM 970 CE2 TYR A 64 -11.255 -13.777 -4.063 1.00 0.00 C ATOM 971 CZ TYR A 64 -12.459 -13.540 -4.738 1.00 0.00 C ATOM 972 OH TYR A 64 -13.650 -13.990 -4.204 1.00 0.00 O ATOM 0 H TYR A 64 -6.805 -13.694 -7.967 1.00 0.00 H new ATOM 0 HA TYR A 64 -9.618 -12.767 -8.306 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -7.901 -12.528 -5.833 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -8.690 -11.052 -6.350 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -11.244 -11.857 -7.434 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -9.118 -13.505 -4.085 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -13.383 -12.666 -6.475 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -11.258 -14.311 -3.124 1.00 0.00 H new ATOM 0 HH TYR A 64 -13.475 -14.451 -3.357 1.00 0.00 H new ATOM 982 N PRO A 65 -7.891 -11.786 -9.995 1.00 0.00 N ATOM 983 CA PRO A 65 -7.252 -10.840 -10.941 1.00 0.00 C ATOM 984 C PRO A 65 -8.160 -9.631 -11.186 1.00 0.00 C ATOM 985 O PRO A 65 -7.837 -8.746 -11.954 1.00 0.00 O ATOM 986 CB PRO A 65 -7.091 -11.664 -12.215 1.00 0.00 C ATOM 987 CG PRO A 65 -8.145 -12.723 -12.133 1.00 0.00 C ATOM 988 CD PRO A 65 -8.412 -12.979 -10.671 1.00 0.00 C ATOM 0 HA PRO A 65 -6.307 -10.440 -10.574 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -7.222 -11.046 -13.103 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -6.095 -12.103 -12.277 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -9.055 -12.399 -12.639 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -7.812 -13.635 -12.628 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -9.476 -13.113 -10.478 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -7.910 -13.883 -10.327 1.00 0.00 H new ATOM 996 N ASN A 66 -9.295 -9.587 -10.543 1.00 0.00 N ATOM 997 CA ASN A 66 -10.221 -8.435 -10.745 1.00 0.00 C ATOM 998 C ASN A 66 -9.829 -7.266 -9.838 1.00 0.00 C ATOM 999 O ASN A 66 -10.381 -6.188 -9.929 1.00 0.00 O ATOM 1000 CB ASN A 66 -11.602 -8.968 -10.365 1.00 0.00 C ATOM 1001 CG ASN A 66 -12.260 -9.600 -11.593 1.00 0.00 C ATOM 1002 OD1 ASN A 66 -12.703 -10.730 -11.545 1.00 0.00 O ATOM 1003 ND2 ASN A 66 -12.343 -8.914 -12.700 1.00 0.00 N ATOM 0 H ASN A 66 -9.621 -10.297 -9.888 1.00 0.00 H new ATOM 0 HA ASN A 66 -10.193 -8.061 -11.768 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -11.512 -9.705 -9.567 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -12.223 -8.158 -9.982 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.780 -9.327 -13.524 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -11.971 -7.965 -12.741 1.00 0.00 H new ATOM 1010 N GLY A 67 -8.881 -7.466 -8.963 1.00 0.00 N ATOM 1011 CA GLY A 67 -8.465 -6.360 -8.057 1.00 0.00 C ATOM 1012 C GLY A 67 -7.314 -5.584 -8.698 1.00 0.00 C ATOM 1013 O GLY A 67 -7.335 -4.371 -8.772 1.00 0.00 O ATOM 0 H GLY A 67 -8.379 -8.345 -8.837 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -9.307 -5.694 -7.868 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -8.154 -6.762 -7.093 1.00 0.00 H new ATOM 1017 N GLY A 68 -6.306 -6.273 -9.158 1.00 0.00 N ATOM 1018 CA GLY A 68 -5.153 -5.572 -9.787 1.00 0.00 C ATOM 1019 C GLY A 68 -4.123 -5.239 -8.710 1.00 0.00 C ATOM 1020 O GLY A 68 -3.407 -4.261 -8.798 1.00 0.00 O ATOM 0 H GLY A 68 -6.232 -7.290 -9.125 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -4.704 -6.201 -10.555 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -5.491 -4.660 -10.279 1.00 0.00 H new ATOM 1024 N LEU A 69 -4.047 -6.048 -7.690 1.00 0.00 N ATOM 1025 CA LEU A 69 -3.068 -5.786 -6.598 1.00 0.00 C ATOM 1026 C LEU A 69 -2.010 -6.882 -6.570 1.00 0.00 C ATOM 1027 O LEU A 69 -1.457 -7.206 -5.538 1.00 0.00 O ATOM 1028 CB LEU A 69 -3.890 -5.809 -5.320 1.00 0.00 C ATOM 1029 CG LEU A 69 -4.801 -7.039 -5.321 1.00 0.00 C ATOM 1030 CD1 LEU A 69 -4.906 -7.598 -3.904 1.00 0.00 C ATOM 1031 CD2 LEU A 69 -6.194 -6.652 -5.817 1.00 0.00 C ATOM 0 H LEU A 69 -4.622 -6.881 -7.565 1.00 0.00 H new ATOM 0 HA LEU A 69 -2.544 -4.839 -6.729 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -3.231 -5.832 -4.452 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -4.488 -4.901 -5.243 1.00 0.00 H new ATOM 0 HG LEU A 69 -4.379 -7.796 -5.983 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -5.555 -8.474 -3.906 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -3.915 -7.881 -3.550 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -5.323 -6.838 -3.243 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -6.838 -7.531 -5.816 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -6.616 -5.892 -5.160 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -6.123 -6.256 -6.830 1.00 0.00 H new ATOM 1043 N THR A 70 -1.726 -7.450 -7.699 1.00 0.00 N ATOM 1044 CA THR A 70 -0.699 -8.530 -7.748 1.00 0.00 C ATOM 1045 C THR A 70 0.550 -8.071 -6.995 1.00 0.00 C ATOM 1046 O THR A 70 0.809 -6.892 -6.874 1.00 0.00 O ATOM 1047 CB THR A 70 -0.393 -8.726 -9.235 1.00 0.00 C ATOM 1048 OG1 THR A 70 0.545 -9.783 -9.388 1.00 0.00 O ATOM 1049 CG2 THR A 70 0.191 -7.436 -9.812 1.00 0.00 C ATOM 0 H THR A 70 -2.157 -7.218 -8.594 1.00 0.00 H new ATOM 0 HA THR A 70 -1.038 -9.457 -7.287 1.00 0.00 H new ATOM 0 HB THR A 70 -1.312 -8.975 -9.766 1.00 0.00 H new ATOM 0 HG1 THR A 70 0.741 -9.911 -10.340 1.00 0.00 H new ATOM 0 HG21 THR A 70 0.408 -7.577 -10.871 1.00 0.00 H new ATOM 0 HG22 THR A 70 -0.529 -6.626 -9.694 1.00 0.00 H new ATOM 0 HG23 THR A 70 1.110 -7.184 -9.283 1.00 0.00 H new ATOM 1057 N ARG A 71 1.318 -8.985 -6.470 1.00 0.00 N ATOM 1058 CA ARG A 71 2.533 -8.575 -5.710 1.00 0.00 C ATOM 1059 C ARG A 71 2.106 -7.809 -4.456 1.00 0.00 C ATOM 1060 O ARG A 71 1.074 -8.084 -3.877 1.00 0.00 O ATOM 1061 CB ARG A 71 3.309 -7.659 -6.657 1.00 0.00 C ATOM 1062 CG ARG A 71 4.810 -7.803 -6.391 1.00 0.00 C ATOM 1063 CD ARG A 71 5.537 -6.540 -6.857 1.00 0.00 C ATOM 1064 NE ARG A 71 6.680 -7.034 -7.675 1.00 0.00 N ATOM 1065 CZ ARG A 71 7.870 -7.127 -7.146 1.00 0.00 C ATOM 1066 NH1 ARG A 71 8.158 -8.124 -6.357 1.00 0.00 N ATOM 1067 NH2 ARG A 71 8.772 -6.221 -7.409 1.00 0.00 N ATOM 0 H ARG A 71 1.159 -9.991 -6.533 1.00 0.00 H new ATOM 0 HA ARG A 71 3.137 -9.424 -5.391 1.00 0.00 H new ATOM 0 HB2 ARG A 71 3.086 -7.916 -7.693 1.00 0.00 H new ATOM 0 HB3 ARG A 71 3.001 -6.624 -6.512 1.00 0.00 H new ATOM 0 HG2 ARG A 71 4.987 -7.966 -5.328 1.00 0.00 H new ATOM 0 HG3 ARG A 71 5.201 -8.675 -6.916 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.879 -5.900 -7.444 1.00 0.00 H new ATOM 0 HD3 ARG A 71 5.884 -5.949 -6.010 1.00 0.00 H new ATOM 0 HE ARG A 71 6.533 -7.300 -8.649 1.00 0.00 H new ATOM 0 HH11 ARG A 71 7.453 -8.832 -6.152 1.00 0.00 H new ATOM 0 HH12 ARG A 71 9.088 -8.196 -5.944 1.00 0.00 H new ATOM 0 HH21 ARG A 71 8.547 -5.442 -8.027 1.00 0.00 H new ATOM 0 HH22 ARG A 71 9.702 -6.292 -6.996 1.00 0.00 H new ATOM 1081 N ASN A 72 2.875 -6.839 -4.042 1.00 0.00 N ATOM 1082 CA ASN A 72 2.500 -6.057 -2.849 1.00 0.00 C ATOM 1083 C ASN A 72 1.817 -4.760 -3.309 1.00 0.00 C ATOM 1084 O ASN A 72 2.369 -3.683 -3.249 1.00 0.00 O ATOM 1085 CB ASN A 72 3.834 -5.809 -2.117 1.00 0.00 C ATOM 1086 CG ASN A 72 3.800 -4.481 -1.371 1.00 0.00 C ATOM 1087 OD1 ASN A 72 2.668 -4.045 -0.908 1.00 0.00 O flip ATOM 1088 ND2 ASN A 72 4.816 -3.836 -1.212 1.00 0.00 N flip ATOM 0 H ASN A 72 3.749 -6.560 -4.487 1.00 0.00 H new ATOM 0 HA ASN A 72 1.793 -6.555 -2.185 1.00 0.00 H new ATOM 0 HB2 ASN A 72 4.026 -6.621 -1.416 1.00 0.00 H new ATOM 0 HB3 ASN A 72 4.654 -5.807 -2.835 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.703 -4.183 -1.578 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.783 -2.947 -0.713 1.00 0.00 H new ATOM 1095 N TYR A 73 0.608 -4.867 -3.769 1.00 0.00 N ATOM 1096 CA TYR A 73 -0.134 -3.656 -4.221 1.00 0.00 C ATOM 1097 C TYR A 73 -1.348 -3.453 -3.309 1.00 0.00 C ATOM 1098 O TYR A 73 -2.044 -4.388 -2.964 1.00 0.00 O ATOM 1099 CB TYR A 73 -0.574 -3.958 -5.656 1.00 0.00 C ATOM 1100 CG TYR A 73 0.625 -3.993 -6.585 1.00 0.00 C ATOM 1101 CD1 TYR A 73 1.865 -3.476 -6.177 1.00 0.00 C ATOM 1102 CD2 TYR A 73 0.491 -4.548 -7.864 1.00 0.00 C ATOM 1103 CE1 TYR A 73 2.962 -3.517 -7.046 1.00 0.00 C ATOM 1104 CE2 TYR A 73 1.590 -4.589 -8.731 1.00 0.00 C ATOM 1105 CZ TYR A 73 2.824 -4.073 -8.322 1.00 0.00 C ATOM 1106 OH TYR A 73 3.907 -4.114 -9.178 1.00 0.00 O ATOM 0 H TYR A 73 0.095 -5.745 -3.854 1.00 0.00 H new ATOM 0 HA TYR A 73 0.468 -2.748 -4.181 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.095 -4.915 -5.689 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -1.280 -3.199 -5.993 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.973 -3.046 -5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -0.462 -4.945 -8.182 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.915 -3.119 -6.731 1.00 0.00 H new ATOM 0 HE2 TYR A 73 1.485 -5.019 -9.716 1.00 0.00 H new ATOM 0 HH TYR A 73 3.640 -4.533 -10.023 1.00 0.00 H new ATOM 1116 N CYS A 74 -1.587 -2.245 -2.898 1.00 0.00 N ATOM 1117 CA CYS A 74 -2.731 -1.965 -1.984 1.00 0.00 C ATOM 1118 C CYS A 74 -4.066 -1.941 -2.736 1.00 0.00 C ATOM 1119 O CYS A 74 -4.276 -1.141 -3.624 1.00 0.00 O ATOM 1120 CB CYS A 74 -2.424 -0.585 -1.410 1.00 0.00 C ATOM 1121 SG CYS A 74 -2.124 -0.723 0.367 1.00 0.00 S ATOM 0 H CYS A 74 -1.035 -1.428 -3.157 1.00 0.00 H new ATOM 0 HA CYS A 74 -2.833 -2.735 -1.219 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.551 -0.160 -1.905 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -3.258 0.092 -1.597 1.00 0.00 H new ATOM 1126 N ARG A 75 -4.975 -2.803 -2.362 1.00 0.00 N ATOM 1127 CA ARG A 75 -6.314 -2.834 -3.023 1.00 0.00 C ATOM 1128 C ARG A 75 -7.398 -3.025 -1.958 1.00 0.00 C ATOM 1129 O ARG A 75 -7.105 -3.294 -0.811 1.00 0.00 O ATOM 1130 CB ARG A 75 -6.267 -4.034 -3.968 1.00 0.00 C ATOM 1131 CG ARG A 75 -6.286 -3.549 -5.427 1.00 0.00 C ATOM 1132 CD ARG A 75 -5.302 -2.390 -5.604 1.00 0.00 C ATOM 1133 NE ARG A 75 -5.107 -2.278 -7.076 1.00 0.00 N ATOM 1134 CZ ARG A 75 -5.899 -1.519 -7.782 1.00 0.00 C ATOM 1135 NH1 ARG A 75 -7.131 -1.887 -8.002 1.00 0.00 N ATOM 1136 NH2 ARG A 75 -5.458 -0.391 -8.268 1.00 0.00 N ATOM 0 H ARG A 75 -4.846 -3.492 -1.621 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.541 -1.914 -3.561 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -5.367 -4.620 -3.782 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.118 -4.689 -3.782 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -6.020 -4.368 -6.095 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -7.292 -3.229 -5.700 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -5.701 -1.465 -5.186 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -4.360 -2.590 -5.094 1.00 0.00 H new ATOM 0 HE ARG A 75 -4.355 -2.794 -7.532 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -7.476 -2.769 -7.622 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -7.750 -1.293 -8.554 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -4.495 -0.103 -8.096 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -6.077 0.203 -8.820 1.00 0.00 H new ATOM 1150 N ASN A 76 -8.645 -2.876 -2.316 1.00 0.00 N ATOM 1151 CA ASN A 76 -9.725 -3.040 -1.299 1.00 0.00 C ATOM 1152 C ASN A 76 -10.898 -3.839 -1.873 1.00 0.00 C ATOM 1153 O ASN A 76 -11.859 -3.272 -2.353 1.00 0.00 O ATOM 1154 CB ASN A 76 -10.161 -1.614 -0.964 1.00 0.00 C ATOM 1155 CG ASN A 76 -10.777 -1.578 0.436 1.00 0.00 C ATOM 1156 OD1 ASN A 76 -10.710 -2.545 1.169 1.00 0.00 O ATOM 1157 ND2 ASN A 76 -11.380 -0.493 0.841 1.00 0.00 N ATOM 0 H ASN A 76 -8.961 -2.650 -3.259 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.381 -3.587 -0.421 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.305 -0.941 -1.012 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.885 -1.263 -1.699 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.795 -0.457 1.772 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -11.436 0.319 0.226 1.00 0.00 H new ATOM 1164 N PRO A 77 -10.781 -5.136 -1.793 1.00 0.00 N ATOM 1165 CA PRO A 77 -11.850 -6.029 -2.299 1.00 0.00 C ATOM 1166 C PRO A 77 -13.031 -6.043 -1.321 1.00 0.00 C ATOM 1167 O PRO A 77 -14.017 -6.721 -1.534 1.00 0.00 O ATOM 1168 CB PRO A 77 -11.176 -7.396 -2.356 1.00 0.00 C ATOM 1169 CG PRO A 77 -10.068 -7.329 -1.352 1.00 0.00 C ATOM 1170 CD PRO A 77 -9.652 -5.884 -1.234 1.00 0.00 C ATOM 0 HA PRO A 77 -12.252 -5.719 -3.263 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -11.880 -8.192 -2.113 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -10.791 -7.604 -3.354 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -10.401 -7.712 -0.387 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -9.227 -7.946 -1.667 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -9.466 -5.607 -0.196 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -8.733 -5.688 -1.786 1.00 0.00 H new ATOM 1178 N ASP A 78 -12.937 -5.298 -0.251 1.00 0.00 N ATOM 1179 CA ASP A 78 -14.052 -5.267 0.742 1.00 0.00 C ATOM 1180 C ASP A 78 -14.778 -3.920 0.680 1.00 0.00 C ATOM 1181 O ASP A 78 -15.862 -3.763 1.206 1.00 0.00 O ATOM 1182 CB ASP A 78 -13.382 -5.452 2.104 1.00 0.00 C ATOM 1183 CG ASP A 78 -14.455 -5.573 3.188 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -14.957 -4.546 3.615 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -14.755 -6.691 3.575 1.00 0.00 O ATOM 0 H ASP A 78 -12.136 -4.709 -0.021 1.00 0.00 H new ATOM 0 HA ASP A 78 -14.796 -6.039 0.548 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -12.756 -6.345 2.095 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -12.728 -4.606 2.317 1.00 0.00 H new ATOM 1190 N ALA A 79 -14.189 -2.947 0.037 1.00 0.00 N ATOM 1191 CA ALA A 79 -14.845 -1.609 -0.067 1.00 0.00 C ATOM 1192 C ALA A 79 -14.865 -0.910 1.297 1.00 0.00 C ATOM 1193 O ALA A 79 -15.778 -0.172 1.611 1.00 0.00 O ATOM 1194 CB ALA A 79 -16.271 -1.897 -0.543 1.00 0.00 C ATOM 0 H ALA A 79 -13.281 -3.020 -0.422 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.312 -0.948 -0.750 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -16.817 -0.959 -0.643 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -16.237 -2.402 -1.508 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -16.775 -2.535 0.183 1.00 0.00 H new ATOM 1200 N GLU A 80 -13.866 -1.130 2.107 1.00 0.00 N ATOM 1201 CA GLU A 80 -13.833 -0.470 3.445 1.00 0.00 C ATOM 1202 C GLU A 80 -13.307 0.963 3.313 1.00 0.00 C ATOM 1203 O GLU A 80 -13.109 1.461 2.223 1.00 0.00 O ATOM 1204 CB GLU A 80 -12.875 -1.318 4.283 1.00 0.00 C ATOM 1205 CG GLU A 80 -13.507 -1.605 5.646 1.00 0.00 C ATOM 1206 CD GLU A 80 -13.609 -3.116 5.854 1.00 0.00 C ATOM 1207 OE1 GLU A 80 -12.577 -3.768 5.834 1.00 0.00 O ATOM 1208 OE2 GLU A 80 -14.716 -3.597 6.028 1.00 0.00 O ATOM 0 H GLU A 80 -13.072 -1.737 1.902 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.822 -0.406 3.899 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -12.655 -2.253 3.768 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.928 -0.795 4.412 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -12.906 -1.158 6.438 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -14.497 -1.152 5.702 1.00 0.00 H new ATOM 1215 N ILE A 81 -13.076 1.630 4.413 1.00 0.00 N ATOM 1216 CA ILE A 81 -12.561 3.030 4.340 1.00 0.00 C ATOM 1217 C ILE A 81 -11.468 3.129 3.274 1.00 0.00 C ATOM 1218 O ILE A 81 -11.350 4.116 2.576 1.00 0.00 O ATOM 1219 CB ILE A 81 -11.982 3.319 5.725 1.00 0.00 C ATOM 1220 CG1 ILE A 81 -11.007 2.210 6.119 1.00 0.00 C ATOM 1221 CG2 ILE A 81 -13.107 3.378 6.750 1.00 0.00 C ATOM 1222 CD1 ILE A 81 -9.579 2.694 5.889 1.00 0.00 C ATOM 0 H ILE A 81 -13.221 1.268 5.356 1.00 0.00 H new ATOM 0 HA ILE A 81 -13.341 3.742 4.071 1.00 0.00 H new ATOM 0 HB ILE A 81 -11.459 4.275 5.698 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.148 1.940 7.166 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -11.199 1.314 5.530 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -12.690 3.584 7.736 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -13.805 4.169 6.478 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -13.631 2.423 6.770 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.879 1.907 6.168 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -9.444 2.943 4.836 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.392 3.579 6.498 1.00 0.00 H new ATOM 1234 N SER A 82 -10.673 2.105 3.145 1.00 0.00 N ATOM 1235 CA SER A 82 -9.586 2.115 2.128 1.00 0.00 C ATOM 1236 C SER A 82 -9.106 0.684 1.884 1.00 0.00 C ATOM 1237 O SER A 82 -9.611 -0.247 2.478 1.00 0.00 O ATOM 1238 CB SER A 82 -8.470 2.963 2.738 1.00 0.00 C ATOM 1239 OG SER A 82 -9.029 3.873 3.674 1.00 0.00 O ATOM 0 H SER A 82 -10.730 1.255 3.705 1.00 0.00 H new ATOM 0 HA SER A 82 -9.912 2.518 1.169 1.00 0.00 H new ATOM 0 HB2 SER A 82 -7.738 2.322 3.229 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.942 3.507 1.955 1.00 0.00 H new ATOM 0 HG SER A 82 -8.315 4.417 4.068 1.00 0.00 H new ATOM 1245 N PRO A 83 -8.148 0.555 1.013 1.00 0.00 N ATOM 1246 CA PRO A 83 -7.603 -0.777 0.685 1.00 0.00 C ATOM 1247 C PRO A 83 -6.642 -1.243 1.779 1.00 0.00 C ATOM 1248 O PRO A 83 -6.232 -0.478 2.629 1.00 0.00 O ATOM 1249 CB PRO A 83 -6.865 -0.546 -0.628 1.00 0.00 C ATOM 1250 CG PRO A 83 -6.506 0.906 -0.631 1.00 0.00 C ATOM 1251 CD PRO A 83 -7.490 1.625 0.262 1.00 0.00 C ATOM 0 HA PRO A 83 -8.369 -1.549 0.607 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.974 -1.171 -0.694 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.494 -0.797 -1.482 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -5.487 1.049 -0.270 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -6.545 1.307 -1.644 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.985 2.325 0.927 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -8.208 2.201 -0.321 1.00 0.00 H new ATOM 1259 N TRP A 84 -6.282 -2.493 1.761 1.00 0.00 N ATOM 1260 CA TRP A 84 -5.346 -3.019 2.796 1.00 0.00 C ATOM 1261 C TRP A 84 -4.595 -4.236 2.253 1.00 0.00 C ATOM 1262 O TRP A 84 -4.916 -4.753 1.202 1.00 0.00 O ATOM 1263 CB TRP A 84 -6.239 -3.419 3.970 1.00 0.00 C ATOM 1264 CG TRP A 84 -7.248 -4.422 3.509 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -8.524 -4.138 3.161 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -7.087 -5.860 3.340 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -9.157 -5.311 2.788 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -8.312 -6.400 2.881 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -6.007 -6.739 3.537 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -8.460 -7.765 2.629 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -6.152 -8.113 3.284 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -7.376 -8.624 2.830 1.00 0.00 C ATOM 0 H TRP A 84 -6.595 -3.178 1.073 1.00 0.00 H new ATOM 0 HA TRP A 84 -4.595 -2.285 3.089 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -5.635 -3.838 4.774 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -6.742 -2.540 4.374 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -8.975 -3.157 3.172 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -10.128 -5.365 2.482 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -5.060 -6.355 3.885 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -9.405 -8.154 2.281 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -5.316 -8.779 3.440 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -7.481 -9.681 2.636 1.00 0.00 H new ATOM 1283 N CYS A 85 -3.599 -4.702 2.958 1.00 0.00 N ATOM 1284 CA CYS A 85 -2.839 -5.892 2.468 1.00 0.00 C ATOM 1285 C CYS A 85 -1.900 -6.423 3.556 1.00 0.00 C ATOM 1286 O CYS A 85 -1.602 -5.748 4.522 1.00 0.00 O ATOM 1287 CB CYS A 85 -2.042 -5.416 1.240 1.00 0.00 C ATOM 1288 SG CYS A 85 -1.495 -3.700 1.447 1.00 0.00 S ATOM 0 H CYS A 85 -3.279 -4.315 3.846 1.00 0.00 H new ATOM 0 HA CYS A 85 -3.510 -6.711 2.209 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -1.177 -6.062 1.091 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -2.660 -5.499 0.346 1.00 0.00 H new ATOM 1293 N TYR A 86 -1.440 -7.638 3.405 1.00 0.00 N ATOM 1294 CA TYR A 86 -0.527 -8.236 4.426 1.00 0.00 C ATOM 1295 C TYR A 86 0.770 -7.428 4.531 1.00 0.00 C ATOM 1296 O TYR A 86 1.101 -6.658 3.656 1.00 0.00 O ATOM 1297 CB TYR A 86 -0.238 -9.648 3.912 1.00 0.00 C ATOM 1298 CG TYR A 86 -1.534 -10.320 3.523 1.00 0.00 C ATOM 1299 CD1 TYR A 86 -2.706 -10.047 4.239 1.00 0.00 C ATOM 1300 CD2 TYR A 86 -1.565 -11.218 2.448 1.00 0.00 C ATOM 1301 CE1 TYR A 86 -3.907 -10.670 3.882 1.00 0.00 C ATOM 1302 CE2 TYR A 86 -2.768 -11.841 2.092 1.00 0.00 C ATOM 1303 CZ TYR A 86 -3.938 -11.567 2.809 1.00 0.00 C ATOM 1304 OH TYR A 86 -5.122 -12.182 2.457 1.00 0.00 O ATOM 0 H TYR A 86 -1.658 -8.245 2.615 1.00 0.00 H new ATOM 0 HA TYR A 86 -0.972 -8.241 5.421 1.00 0.00 H new ATOM 0 HB2 TYR A 86 0.432 -9.603 3.054 1.00 0.00 H new ATOM 0 HB3 TYR A 86 0.268 -10.230 4.682 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -2.683 -9.355 5.068 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -0.662 -11.430 1.894 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -4.810 -10.458 4.435 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -2.793 -12.533 1.263 1.00 0.00 H new ATOM 0 HH TYR A 86 -4.929 -13.002 1.956 1.00 0.00 H new ATOM 1314 N THR A 87 1.506 -7.604 5.599 1.00 0.00 N ATOM 1315 CA THR A 87 2.788 -6.850 5.768 1.00 0.00 C ATOM 1316 C THR A 87 3.979 -7.759 5.478 1.00 0.00 C ATOM 1317 O THR A 87 3.971 -8.925 5.819 1.00 0.00 O ATOM 1318 CB THR A 87 2.825 -6.448 7.243 1.00 0.00 C ATOM 1319 OG1 THR A 87 2.021 -7.344 7.991 1.00 0.00 O ATOM 1320 CG2 THR A 87 2.309 -5.024 7.417 1.00 0.00 C ATOM 0 H THR A 87 1.275 -8.238 6.364 1.00 0.00 H new ATOM 0 HA THR A 87 2.841 -5.996 5.093 1.00 0.00 H new ATOM 0 HB THR A 87 3.854 -6.491 7.600 1.00 0.00 H new ATOM 0 HG1 THR A 87 2.572 -8.087 8.313 1.00 0.00 H new ATOM 0 HG21 THR A 87 2.341 -4.752 8.472 1.00 0.00 H new ATOM 0 HG22 THR A 87 2.935 -4.338 6.846 1.00 0.00 H new ATOM 0 HG23 THR A 87 1.282 -4.963 7.058 1.00 0.00 H new ATOM 1328 N MET A 88 5.017 -7.242 4.873 1.00 0.00 N ATOM 1329 CA MET A 88 6.207 -8.100 4.597 1.00 0.00 C ATOM 1330 C MET A 88 7.013 -8.342 5.884 1.00 0.00 C ATOM 1331 O MET A 88 8.133 -8.812 5.839 1.00 0.00 O ATOM 1332 CB MET A 88 7.036 -7.315 3.584 1.00 0.00 C ATOM 1333 CG MET A 88 8.088 -8.236 2.963 1.00 0.00 C ATOM 1334 SD MET A 88 8.841 -7.416 1.535 1.00 0.00 S ATOM 1335 CE MET A 88 7.821 -8.193 0.258 1.00 0.00 C ATOM 0 H MET A 88 5.092 -6.274 4.561 1.00 0.00 H new ATOM 0 HA MET A 88 5.922 -9.082 4.219 1.00 0.00 H new ATOM 0 HB2 MET A 88 6.390 -6.908 2.807 1.00 0.00 H new ATOM 0 HB3 MET A 88 7.520 -6.469 4.072 1.00 0.00 H new ATOM 0 HG2 MET A 88 8.853 -8.481 3.700 1.00 0.00 H new ATOM 0 HG3 MET A 88 7.629 -9.175 2.656 1.00 0.00 H new ATOM 0 HE1 MET A 88 8.121 -7.823 -0.722 1.00 0.00 H new ATOM 0 HE2 MET A 88 7.954 -9.274 0.294 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.773 -7.950 0.432 1.00 0.00 H new ATOM 1345 N ASP A 89 6.456 -8.039 7.032 1.00 0.00 N ATOM 1346 CA ASP A 89 7.190 -8.267 8.301 1.00 0.00 C ATOM 1347 C ASP A 89 6.368 -9.186 9.203 1.00 0.00 C ATOM 1348 O ASP A 89 5.158 -9.092 9.253 1.00 0.00 O ATOM 1349 CB ASP A 89 7.335 -6.882 8.931 1.00 0.00 C ATOM 1350 CG ASP A 89 8.793 -6.429 8.843 1.00 0.00 C ATOM 1351 OD1 ASP A 89 9.309 -6.370 7.739 1.00 0.00 O ATOM 1352 OD2 ASP A 89 9.369 -6.148 9.881 1.00 0.00 O ATOM 0 H ASP A 89 5.522 -7.643 7.138 1.00 0.00 H new ATOM 0 HA ASP A 89 8.160 -8.741 8.149 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.690 -6.169 8.418 1.00 0.00 H new ATOM 0 HB3 ASP A 89 7.014 -6.910 9.972 1.00 0.00 H new ATOM 1357 N PRO A 90 7.060 -10.047 9.885 1.00 0.00 N ATOM 1358 CA PRO A 90 6.400 -11.007 10.801 1.00 0.00 C ATOM 1359 C PRO A 90 5.845 -10.281 12.028 1.00 0.00 C ATOM 1360 O PRO A 90 5.206 -10.873 12.875 1.00 0.00 O ATOM 1361 CB PRO A 90 7.524 -11.965 11.186 1.00 0.00 C ATOM 1362 CG PRO A 90 8.782 -11.180 10.985 1.00 0.00 C ATOM 1363 CD PRO A 90 8.513 -10.205 9.867 1.00 0.00 C ATOM 0 HA PRO A 90 5.551 -11.520 10.349 1.00 0.00 H new ATOM 0 HB2 PRO A 90 7.425 -12.295 12.220 1.00 0.00 H new ATOM 0 HB3 PRO A 90 7.512 -12.859 10.563 1.00 0.00 H new ATOM 0 HG2 PRO A 90 9.059 -10.654 11.898 1.00 0.00 H new ATOM 0 HG3 PRO A 90 9.613 -11.839 10.732 1.00 0.00 H new ATOM 0 HD2 PRO A 90 9.021 -9.255 10.034 1.00 0.00 H new ATOM 0 HD3 PRO A 90 8.862 -10.589 8.908 1.00 0.00 H new ATOM 1371 N ASN A 91 6.068 -9.001 12.122 1.00 0.00 N ATOM 1372 CA ASN A 91 5.538 -8.241 13.282 1.00 0.00 C ATOM 1373 C ASN A 91 4.129 -7.743 12.951 1.00 0.00 C ATOM 1374 O ASN A 91 3.397 -7.297 13.812 1.00 0.00 O ATOM 1375 CB ASN A 91 6.515 -7.075 13.469 1.00 0.00 C ATOM 1376 CG ASN A 91 5.816 -5.911 14.177 1.00 0.00 C ATOM 1377 OD1 ASN A 91 5.496 -4.851 13.490 1.00 0.00 O flip ATOM 1378 ND2 ASN A 91 5.560 -5.969 15.364 1.00 0.00 N flip ATOM 0 H ASN A 91 6.595 -8.450 11.445 1.00 0.00 H new ATOM 0 HA ASN A 91 5.461 -8.837 14.191 1.00 0.00 H new ATOM 0 HB2 ASN A 91 7.376 -7.402 14.053 1.00 0.00 H new ATOM 0 HB3 ASN A 91 6.892 -6.748 12.500 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.811 -6.800 15.900 1.00 0.00 H new ATOM 0 HD22 ASN A 91 5.094 -5.187 15.824 1.00 0.00 H new ATOM 1385 N VAL A 92 3.746 -7.819 11.703 1.00 0.00 N ATOM 1386 CA VAL A 92 2.390 -7.356 11.312 1.00 0.00 C ATOM 1387 C VAL A 92 1.698 -8.414 10.453 1.00 0.00 C ATOM 1388 O VAL A 92 2.299 -9.002 9.576 1.00 0.00 O ATOM 1389 CB VAL A 92 2.635 -6.092 10.490 1.00 0.00 C ATOM 1390 CG1 VAL A 92 1.293 -5.491 10.070 1.00 0.00 C ATOM 1391 CG2 VAL A 92 3.404 -5.077 11.338 1.00 0.00 C ATOM 0 H VAL A 92 4.317 -8.183 10.940 1.00 0.00 H new ATOM 0 HA VAL A 92 1.750 -7.174 12.175 1.00 0.00 H new ATOM 0 HB VAL A 92 3.216 -6.341 9.602 1.00 0.00 H new ATOM 0 HG11 VAL A 92 1.466 -4.589 9.483 1.00 0.00 H new ATOM 0 HG12 VAL A 92 0.742 -6.215 9.469 1.00 0.00 H new ATOM 0 HG13 VAL A 92 0.713 -5.241 10.958 1.00 0.00 H new ATOM 0 HG21 VAL A 92 3.580 -4.174 10.754 1.00 0.00 H new ATOM 0 HG22 VAL A 92 2.821 -4.828 12.225 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.359 -5.505 11.641 1.00 0.00 H new ATOM 1401 N ARG A 93 0.438 -8.656 10.682 1.00 0.00 N ATOM 1402 CA ARG A 93 -0.278 -9.657 9.860 1.00 0.00 C ATOM 1403 C ARG A 93 -0.849 -8.969 8.618 1.00 0.00 C ATOM 1404 O ARG A 93 -0.713 -9.445 7.509 1.00 0.00 O ATOM 1405 CB ARG A 93 -1.399 -10.191 10.752 1.00 0.00 C ATOM 1406 CG ARG A 93 -2.033 -11.416 10.090 1.00 0.00 C ATOM 1407 CD ARG A 93 -1.237 -12.668 10.462 1.00 0.00 C ATOM 1408 NE ARG A 93 -2.265 -13.705 10.754 1.00 0.00 N ATOM 1409 CZ ARG A 93 -2.140 -14.471 11.802 1.00 0.00 C ATOM 1410 NH1 ARG A 93 -1.459 -15.581 11.720 1.00 0.00 N ATOM 1411 NH2 ARG A 93 -2.694 -14.128 12.933 1.00 0.00 N ATOM 0 H ARG A 93 -0.123 -8.202 11.403 1.00 0.00 H new ATOM 0 HA ARG A 93 0.370 -10.465 9.520 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -1.004 -10.457 11.732 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -2.152 -9.419 10.911 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -3.069 -11.522 10.413 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -2.048 -11.290 9.007 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -0.584 -12.978 9.646 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -0.600 -12.488 11.328 1.00 0.00 H new ATOM 0 HE ARG A 93 -3.067 -13.816 10.134 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -1.025 -15.849 10.837 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -1.361 -16.181 12.539 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -3.226 -13.260 12.998 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -2.595 -14.728 13.752 1.00 0.00 H new ATOM 1425 N TRP A 94 -1.477 -7.840 8.806 1.00 0.00 N ATOM 1426 CA TRP A 94 -2.052 -7.092 7.652 1.00 0.00 C ATOM 1427 C TRP A 94 -2.289 -5.633 8.056 1.00 0.00 C ATOM 1428 O TRP A 94 -2.412 -5.320 9.223 1.00 0.00 O ATOM 1429 CB TRP A 94 -3.375 -7.793 7.339 1.00 0.00 C ATOM 1430 CG TRP A 94 -4.368 -7.492 8.415 1.00 0.00 C ATOM 1431 CD1 TRP A 94 -4.714 -8.339 9.411 1.00 0.00 C ATOM 1432 CD2 TRP A 94 -5.148 -6.279 8.619 1.00 0.00 C ATOM 1433 NE1 TRP A 94 -5.657 -7.723 10.214 1.00 0.00 N ATOM 1434 CE2 TRP A 94 -5.956 -6.451 9.767 1.00 0.00 C ATOM 1435 CE3 TRP A 94 -5.230 -5.057 7.926 1.00 0.00 C ATOM 1436 CZ2 TRP A 94 -6.817 -5.447 10.212 1.00 0.00 C ATOM 1437 CZ3 TRP A 94 -6.095 -4.045 8.371 1.00 0.00 C ATOM 1438 CH2 TRP A 94 -6.886 -4.239 9.512 1.00 0.00 C ATOM 0 H TRP A 94 -1.617 -7.401 9.716 1.00 0.00 H new ATOM 0 HA TRP A 94 -1.392 -7.084 6.785 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -3.756 -7.458 6.374 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -3.219 -8.869 7.264 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -4.319 -9.334 9.556 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -6.080 -8.155 11.036 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -4.624 -4.897 7.047 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -7.426 -5.602 11.091 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -6.151 -3.111 7.831 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -7.548 -3.456 9.850 1.00 0.00 H new ATOM 1449 N GLU A 95 -2.350 -4.737 7.108 1.00 0.00 N ATOM 1450 CA GLU A 95 -2.577 -3.305 7.461 1.00 0.00 C ATOM 1451 C GLU A 95 -3.335 -2.589 6.340 1.00 0.00 C ATOM 1452 O GLU A 95 -3.422 -3.072 5.228 1.00 0.00 O ATOM 1453 CB GLU A 95 -1.178 -2.707 7.620 1.00 0.00 C ATOM 1454 CG GLU A 95 -0.526 -3.257 8.888 1.00 0.00 C ATOM 1455 CD GLU A 95 0.604 -2.323 9.325 1.00 0.00 C ATOM 1456 OE1 GLU A 95 1.498 -2.093 8.527 1.00 0.00 O ATOM 1457 OE2 GLU A 95 0.557 -1.854 10.450 1.00 0.00 O ATOM 0 H GLU A 95 -2.253 -4.932 6.111 1.00 0.00 H new ATOM 0 HA GLU A 95 -3.175 -3.199 8.366 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.567 -2.949 6.750 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.240 -1.620 7.673 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -1.267 -3.345 9.682 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.135 -4.258 8.704 1.00 0.00 H new ATOM 1464 N TYR A 96 -3.881 -1.438 6.625 1.00 0.00 N ATOM 1465 CA TYR A 96 -4.629 -0.687 5.577 1.00 0.00 C ATOM 1466 C TYR A 96 -3.656 0.132 4.723 1.00 0.00 C ATOM 1467 O TYR A 96 -2.456 0.059 4.894 1.00 0.00 O ATOM 1468 CB TYR A 96 -5.576 0.236 6.346 1.00 0.00 C ATOM 1469 CG TYR A 96 -6.911 -0.445 6.530 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -7.729 -0.695 5.421 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -7.333 -0.824 7.810 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -8.967 -1.325 5.593 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -8.571 -1.454 7.982 1.00 0.00 C ATOM 1474 CZ TYR A 96 -9.388 -1.704 6.874 1.00 0.00 C ATOM 1475 OH TYR A 96 -10.608 -2.326 7.043 1.00 0.00 O ATOM 0 H TYR A 96 -3.841 -0.985 7.538 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.170 -1.349 4.900 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.147 0.486 7.317 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.706 1.173 5.804 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.405 -0.402 4.433 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -6.703 -0.630 8.665 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.598 -1.519 4.738 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -8.895 -1.747 8.970 1.00 0.00 H new ATOM 0 HH TYR A 96 -10.897 -2.716 6.192 1.00 0.00 H new ATOM 1485 N CYS A 97 -4.162 0.907 3.802 1.00 0.00 N ATOM 1486 CA CYS A 97 -3.259 1.721 2.938 1.00 0.00 C ATOM 1487 C CYS A 97 -3.312 3.200 3.331 1.00 0.00 C ATOM 1488 O CYS A 97 -4.346 3.723 3.697 1.00 0.00 O ATOM 1489 CB CYS A 97 -3.787 1.515 1.521 1.00 0.00 C ATOM 1490 SG CYS A 97 -3.904 -0.259 1.189 1.00 0.00 S ATOM 0 H CYS A 97 -5.158 1.012 3.611 1.00 0.00 H new ATOM 0 HA CYS A 97 -2.216 1.419 3.036 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -4.765 1.984 1.412 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -3.123 1.990 0.799 1.00 0.00 H new ATOM 1495 N ASN A 98 -2.194 3.870 3.263 1.00 0.00 N ATOM 1496 CA ASN A 98 -2.153 5.318 3.639 1.00 0.00 C ATOM 1497 C ASN A 98 -2.883 6.186 2.611 1.00 0.00 C ATOM 1498 O ASN A 98 -2.263 6.812 1.777 1.00 0.00 O ATOM 1499 CB ASN A 98 -0.670 5.682 3.636 1.00 0.00 C ATOM 1500 CG ASN A 98 -0.083 5.493 5.035 1.00 0.00 C ATOM 1501 OD1 ASN A 98 1.117 4.996 5.161 1.00 0.00 O flip ATOM 1502 ND2 ASN A 98 -0.719 5.804 6.023 1.00 0.00 N flip ATOM 0 H ASN A 98 -1.302 3.478 2.962 1.00 0.00 H new ATOM 0 HA ASN A 98 -2.638 5.487 4.600 1.00 0.00 H new ATOM 0 HB2 ASN A 98 -0.135 5.057 2.921 1.00 0.00 H new ATOM 0 HB3 ASN A 98 -0.541 6.716 3.315 1.00 0.00 H new ATOM 0 HD21 ASN A 98 -1.657 6.192 5.924 1.00 0.00 H new ATOM 0 HD22 ASN A 98 -0.315 5.677 6.951 1.00 0.00 H new ATOM 1509 N LEU A 99 -4.184 6.252 2.664 1.00 0.00 N ATOM 1510 CA LEU A 99 -4.913 7.113 1.679 1.00 0.00 C ATOM 1511 C LEU A 99 -6.148 7.740 2.328 1.00 0.00 C ATOM 1512 O LEU A 99 -6.873 7.098 3.062 1.00 0.00 O ATOM 1513 CB LEU A 99 -5.338 6.217 0.500 1.00 0.00 C ATOM 1514 CG LEU A 99 -4.867 4.771 0.688 1.00 0.00 C ATOM 1515 CD1 LEU A 99 -5.681 3.858 -0.226 1.00 0.00 C ATOM 1516 CD2 LEU A 99 -3.386 4.662 0.320 1.00 0.00 C ATOM 0 H LEU A 99 -4.771 5.756 3.335 1.00 0.00 H new ATOM 0 HA LEU A 99 -4.267 7.921 1.336 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -6.423 6.236 0.401 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -4.926 6.616 -0.427 1.00 0.00 H new ATOM 0 HG LEU A 99 -5.005 4.474 1.728 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -5.351 2.827 -0.098 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -6.738 3.936 0.030 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -5.536 4.159 -1.264 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.053 3.633 0.454 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.247 4.956 -0.720 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -2.802 5.320 0.964 1.00 0.00 H new ATOM 1528 N THR A 100 -6.393 8.992 2.054 1.00 0.00 N ATOM 1529 CA THR A 100 -7.580 9.673 2.640 1.00 0.00 C ATOM 1530 C THR A 100 -8.661 9.847 1.575 1.00 0.00 C ATOM 1531 O THR A 100 -8.389 9.811 0.392 1.00 0.00 O ATOM 1532 CB THR A 100 -7.074 11.033 3.103 1.00 0.00 C ATOM 1533 OG1 THR A 100 -6.719 11.815 1.971 1.00 0.00 O ATOM 1534 CG2 THR A 100 -5.854 10.844 4.001 1.00 0.00 C ATOM 0 H THR A 100 -5.818 9.575 1.446 1.00 0.00 H new ATOM 0 HA THR A 100 -8.019 9.102 3.458 1.00 0.00 H new ATOM 0 HB THR A 100 -7.858 11.543 3.663 1.00 0.00 H new ATOM 0 HG1 THR A 100 -6.395 12.691 2.267 1.00 0.00 H new ATOM 0 HG21 THR A 100 -5.492 11.817 4.332 1.00 0.00 H new ATOM 0 HG22 THR A 100 -6.130 10.245 4.869 1.00 0.00 H new ATOM 0 HG23 THR A 100 -5.068 10.335 3.444 1.00 0.00 H new ATOM 1542 N GLN A 101 -9.884 10.035 1.981 1.00 0.00 N ATOM 1543 CA GLN A 101 -10.970 10.208 0.977 1.00 0.00 C ATOM 1544 C GLN A 101 -10.610 11.337 0.015 1.00 0.00 C ATOM 1545 O GLN A 101 -10.929 12.487 0.241 1.00 0.00 O ATOM 1546 CB GLN A 101 -12.219 10.560 1.784 1.00 0.00 C ATOM 1547 CG GLN A 101 -13.446 9.954 1.101 1.00 0.00 C ATOM 1548 CD GLN A 101 -14.710 10.637 1.622 1.00 0.00 C ATOM 1549 OE1 GLN A 101 -15.050 11.722 1.194 1.00 0.00 O ATOM 1550 NE2 GLN A 101 -15.425 10.043 2.537 1.00 0.00 N ATOM 0 H GLN A 101 -10.178 10.076 2.957 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.125 9.312 0.376 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -12.129 10.179 2.801 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -12.326 11.642 1.857 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.372 10.078 0.021 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.492 8.883 1.297 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -15.139 9.132 2.896 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -16.270 10.489 2.893 1.00 0.00 H new ATOM 1559 N CYS A 102 -9.941 11.017 -1.057 1.00 0.00 N ATOM 1560 CA CYS A 102 -9.555 12.067 -2.026 1.00 0.00 C ATOM 1561 C CYS A 102 -10.489 12.045 -3.246 1.00 0.00 C ATOM 1562 O CYS A 102 -10.659 11.026 -3.886 1.00 0.00 O ATOM 1563 CB CYS A 102 -8.101 11.754 -2.388 1.00 0.00 C ATOM 1564 SG CYS A 102 -7.989 10.578 -3.760 1.00 0.00 S ATOM 0 H CYS A 102 -9.647 10.071 -1.300 1.00 0.00 H new ATOM 0 HA CYS A 102 -9.643 13.074 -1.618 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -7.587 12.677 -2.657 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -7.589 11.346 -1.517 1.00 0.00 H new ATOM 1569 N PRO A 103 -11.081 13.178 -3.516 1.00 0.00 N ATOM 1570 CA PRO A 103 -12.020 13.293 -4.658 1.00 0.00 C ATOM 1571 C PRO A 103 -11.256 13.350 -5.984 1.00 0.00 C ATOM 1572 O PRO A 103 -10.054 13.178 -6.028 1.00 0.00 O ATOM 1573 CB PRO A 103 -12.743 14.610 -4.395 1.00 0.00 C ATOM 1574 CG PRO A 103 -11.801 15.414 -3.554 1.00 0.00 C ATOM 1575 CD PRO A 103 -10.934 14.444 -2.791 1.00 0.00 C ATOM 0 HA PRO A 103 -12.699 12.444 -4.737 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -12.975 15.125 -5.327 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -13.688 14.444 -3.878 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -11.190 16.065 -4.179 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -12.353 16.057 -2.868 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -9.895 14.772 -2.770 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -11.260 14.349 -1.755 1.00 0.00 H new ATOM 1583 N VAL A 104 -11.947 13.590 -7.065 1.00 0.00 N ATOM 1584 CA VAL A 104 -11.264 13.659 -8.388 1.00 0.00 C ATOM 1585 C VAL A 104 -11.324 15.087 -8.938 1.00 0.00 C ATOM 1586 O VAL A 104 -11.992 15.944 -8.394 1.00 0.00 O ATOM 1587 CB VAL A 104 -12.048 12.703 -9.288 1.00 0.00 C ATOM 1588 CG1 VAL A 104 -11.305 12.524 -10.614 1.00 0.00 C ATOM 1589 CG2 VAL A 104 -12.183 11.348 -8.592 1.00 0.00 C ATOM 0 H VAL A 104 -12.955 13.741 -7.089 1.00 0.00 H new ATOM 0 HA VAL A 104 -10.210 13.387 -8.325 1.00 0.00 H new ATOM 0 HB VAL A 104 -13.039 13.114 -9.481 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -11.864 11.843 -11.255 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -11.207 13.490 -11.109 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -10.314 12.112 -10.423 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -12.742 10.665 -9.231 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -11.192 10.937 -8.400 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -12.712 11.475 -7.648 1.00 0.00 H new ATOM 1599 N THR A 105 -10.631 15.350 -10.012 1.00 0.00 N ATOM 1600 CA THR A 105 -10.649 16.723 -10.594 1.00 0.00 C ATOM 1601 C THR A 105 -11.996 16.993 -11.270 1.00 0.00 C ATOM 1602 O THR A 105 -12.219 16.614 -12.402 1.00 0.00 O ATOM 1603 CB THR A 105 -9.520 16.732 -11.625 1.00 0.00 C ATOM 1604 OG1 THR A 105 -8.301 16.365 -10.993 1.00 0.00 O ATOM 1605 CG2 THR A 105 -9.384 18.132 -12.225 1.00 0.00 C ATOM 0 H THR A 105 -10.053 14.674 -10.512 1.00 0.00 H new ATOM 0 HA THR A 105 -10.514 17.494 -9.836 1.00 0.00 H new ATOM 0 HB THR A 105 -9.747 16.020 -12.419 1.00 0.00 H new ATOM 0 HG1 THR A 105 -7.576 16.369 -11.653 1.00 0.00 H new ATOM 0 HG21 THR A 105 -8.579 18.136 -12.960 1.00 0.00 H new ATOM 0 HG22 THR A 105 -10.319 18.412 -12.710 1.00 0.00 H new ATOM 0 HG23 THR A 105 -9.157 18.846 -11.434 1.00 0.00 H new ATOM 1613 N GLU A 106 -12.892 17.650 -10.585 1.00 0.00 N ATOM 1614 CA GLU A 106 -14.218 17.949 -11.185 1.00 0.00 C ATOM 1615 C GLU A 106 -15.072 18.765 -10.210 1.00 0.00 C ATOM 1616 O GLU A 106 -15.851 19.608 -10.609 1.00 0.00 O ATOM 1617 CB GLU A 106 -14.859 16.585 -11.447 1.00 0.00 C ATOM 1618 CG GLU A 106 -15.263 15.944 -10.118 1.00 0.00 C ATOM 1619 CD GLU A 106 -15.757 14.517 -10.367 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -15.280 13.902 -11.306 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -16.605 14.065 -9.615 1.00 0.00 O ATOM 0 H GLU A 106 -12.760 17.992 -9.633 1.00 0.00 H new ATOM 0 HA GLU A 106 -14.130 18.538 -12.098 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -15.733 16.700 -12.088 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -14.159 15.939 -11.976 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -14.413 15.932 -9.435 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -16.047 16.533 -9.642 1.00 0.00 H new ATOM 1628 N SER A 107 -14.935 18.522 -8.936 1.00 0.00 N ATOM 1629 CA SER A 107 -15.743 19.285 -7.941 1.00 0.00 C ATOM 1630 C SER A 107 -14.860 19.744 -6.778 1.00 0.00 C ATOM 1631 O SER A 107 -13.669 19.502 -6.756 1.00 0.00 O ATOM 1632 CB SER A 107 -16.801 18.297 -7.452 1.00 0.00 C ATOM 1633 OG SER A 107 -16.236 16.994 -7.402 1.00 0.00 O ATOM 0 H SER A 107 -14.300 17.829 -8.540 1.00 0.00 H new ATOM 0 HA SER A 107 -16.188 20.182 -8.372 1.00 0.00 H new ATOM 0 HB2 SER A 107 -17.160 18.589 -6.465 1.00 0.00 H new ATOM 0 HB3 SER A 107 -17.662 18.308 -8.120 1.00 0.00 H new ATOM 0 HG SER A 107 -16.911 16.357 -7.087 1.00 0.00 H new ATOM 1639 N SER A 108 -15.433 20.407 -5.811 1.00 0.00 N ATOM 1640 CA SER A 108 -14.625 20.882 -4.652 1.00 0.00 C ATOM 1641 C SER A 108 -15.449 20.812 -3.363 1.00 0.00 C ATOM 1642 O SER A 108 -15.425 21.716 -2.551 1.00 0.00 O ATOM 1643 CB SER A 108 -14.274 22.331 -4.985 1.00 0.00 C ATOM 1644 OG SER A 108 -13.075 22.360 -5.749 1.00 0.00 O ATOM 0 H SER A 108 -16.425 20.640 -5.773 1.00 0.00 H new ATOM 0 HA SER A 108 -13.736 20.272 -4.491 1.00 0.00 H new ATOM 0 HB2 SER A 108 -15.087 22.795 -5.544 1.00 0.00 H new ATOM 0 HB3 SER A 108 -14.149 22.907 -4.068 1.00 0.00 H new ATOM 0 HG SER A 108 -12.947 21.494 -6.190 1.00 0.00 H new ATOM 1650 N VAL A 109 -16.175 19.745 -3.166 1.00 0.00 N ATOM 1651 CA VAL A 109 -16.997 19.619 -1.926 1.00 0.00 C ATOM 1652 C VAL A 109 -16.285 18.719 -0.912 1.00 0.00 C ATOM 1653 O VAL A 109 -16.428 17.513 -0.933 1.00 0.00 O ATOM 1654 CB VAL A 109 -18.307 18.976 -2.379 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -19.079 19.955 -3.264 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -18.001 17.704 -3.172 1.00 0.00 C ATOM 0 H VAL A 109 -16.235 18.955 -3.809 1.00 0.00 H new ATOM 0 HA VAL A 109 -17.162 20.582 -1.442 1.00 0.00 H new ATOM 0 HB VAL A 109 -18.909 18.726 -1.506 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -20.013 19.495 -3.586 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -19.297 20.862 -2.700 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -18.478 20.207 -4.138 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -18.934 17.244 -3.496 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -17.398 17.955 -4.045 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -17.452 17.005 -2.541 1.00 0.00 H new ATOM 1666 N LEU A 110 -15.520 19.294 -0.025 1.00 0.00 N ATOM 1667 CA LEU A 110 -14.803 18.464 0.984 1.00 0.00 C ATOM 1668 C LEU A 110 -15.654 18.307 2.248 1.00 0.00 C ATOM 1669 O LEU A 110 -15.143 18.106 3.331 1.00 0.00 O ATOM 1670 CB LEU A 110 -13.518 19.231 1.291 1.00 0.00 C ATOM 1671 CG LEU A 110 -12.327 18.275 1.214 1.00 0.00 C ATOM 1672 CD1 LEU A 110 -11.024 19.070 1.300 1.00 0.00 C ATOM 1673 CD2 LEU A 110 -12.397 17.283 2.377 1.00 0.00 C ATOM 0 H LEU A 110 -15.361 20.299 0.045 1.00 0.00 H new ATOM 0 HA LEU A 110 -14.597 17.458 0.617 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -13.390 20.048 0.580 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -13.576 19.678 2.283 1.00 0.00 H new ATOM 0 HG LEU A 110 -12.357 17.733 0.269 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -10.177 18.387 1.245 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -10.974 19.777 0.472 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.991 19.614 2.244 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -11.549 16.600 2.324 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -12.367 17.827 3.321 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -13.325 16.714 2.315 1.00 0.00 H new ATOM 1685 N ALA A 111 -16.949 18.392 2.115 1.00 0.00 N ATOM 1686 CA ALA A 111 -17.833 18.242 3.306 1.00 0.00 C ATOM 1687 C ALA A 111 -19.051 17.388 2.950 1.00 0.00 C ATOM 1688 O ALA A 111 -20.167 17.866 2.910 1.00 0.00 O ATOM 1689 CB ALA A 111 -18.260 19.664 3.667 1.00 0.00 C ATOM 0 H ALA A 111 -17.434 18.559 1.233 1.00 0.00 H new ATOM 0 HA ALA A 111 -17.329 17.748 4.137 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -18.915 19.637 4.538 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -17.378 20.262 3.895 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -18.792 20.109 2.826 1.00 0.00 H new ATOM 1695 N THR A 112 -18.844 16.126 2.688 1.00 0.00 N ATOM 1696 CA THR A 112 -19.989 15.240 2.331 1.00 0.00 C ATOM 1697 C THR A 112 -20.683 14.733 3.599 1.00 0.00 C ATOM 1698 O THR A 112 -21.802 14.263 3.559 1.00 0.00 O ATOM 1699 CB THR A 112 -19.362 14.078 1.560 1.00 0.00 C ATOM 1700 OG1 THR A 112 -18.340 14.575 0.707 1.00 0.00 O ATOM 1701 CG2 THR A 112 -20.434 13.379 0.724 1.00 0.00 C ATOM 0 H THR A 112 -17.932 15.670 2.706 1.00 0.00 H new ATOM 0 HA THR A 112 -20.746 15.759 1.743 1.00 0.00 H new ATOM 0 HB THR A 112 -18.933 13.364 2.263 1.00 0.00 H new ATOM 0 HG1 THR A 112 -17.936 13.831 0.213 1.00 0.00 H new ATOM 0 HG21 THR A 112 -19.985 12.551 0.175 1.00 0.00 H new ATOM 0 HG22 THR A 112 -21.216 12.998 1.380 1.00 0.00 H new ATOM 0 HG23 THR A 112 -20.866 14.089 0.019 1.00 0.00 H new ATOM 1709 N SER A 113 -20.027 14.825 4.723 1.00 0.00 N ATOM 1710 CA SER A 113 -20.650 14.348 5.992 1.00 0.00 C ATOM 1711 C SER A 113 -21.899 15.173 6.310 1.00 0.00 C ATOM 1712 O SER A 113 -22.948 14.639 6.613 1.00 0.00 O ATOM 1713 CB SER A 113 -19.581 14.561 7.061 1.00 0.00 C ATOM 1714 OG SER A 113 -18.808 13.376 7.196 1.00 0.00 O ATOM 0 H SER A 113 -19.087 15.209 4.819 1.00 0.00 H new ATOM 0 HA SER A 113 -20.965 13.306 5.932 1.00 0.00 H new ATOM 0 HB2 SER A 113 -18.939 15.398 6.788 1.00 0.00 H new ATOM 0 HB3 SER A 113 -20.048 14.815 8.013 1.00 0.00 H new ATOM 0 HG SER A 113 -18.120 13.511 7.881 1.00 0.00 H new ATOM 1720 N THR A 114 -21.793 16.471 6.244 1.00 0.00 N ATOM 1721 CA THR A 114 -22.973 17.332 6.543 1.00 0.00 C ATOM 1722 C THR A 114 -23.955 17.311 5.369 1.00 0.00 C ATOM 1723 O THR A 114 -24.209 18.320 4.742 1.00 0.00 O ATOM 1724 CB THR A 114 -22.399 18.736 6.737 1.00 0.00 C ATOM 1725 OG1 THR A 114 -21.700 19.125 5.562 1.00 0.00 O ATOM 1726 CG2 THR A 114 -21.440 18.736 7.928 1.00 0.00 C ATOM 0 H THR A 114 -20.941 16.973 5.996 1.00 0.00 H new ATOM 0 HA THR A 114 -23.522 16.991 7.421 1.00 0.00 H new ATOM 0 HB THR A 114 -23.210 19.439 6.927 1.00 0.00 H new ATOM 0 HG1 THR A 114 -22.324 19.160 4.807 1.00 0.00 H new ATOM 0 HG21 THR A 114 -21.031 19.737 8.066 1.00 0.00 H new ATOM 0 HG22 THR A 114 -21.977 18.436 8.828 1.00 0.00 H new ATOM 0 HG23 THR A 114 -20.627 18.035 7.740 1.00 0.00 H new ATOM 1734 N ALA A 115 -24.510 16.168 5.066 1.00 0.00 N ATOM 1735 CA ALA A 115 -25.476 16.086 3.933 1.00 0.00 C ATOM 1736 C ALA A 115 -26.853 15.657 4.445 1.00 0.00 C ATOM 1737 O ALA A 115 -27.012 15.293 5.594 1.00 0.00 O ATOM 1738 CB ALA A 115 -24.897 15.026 2.994 1.00 0.00 C ATOM 0 H ALA A 115 -24.336 15.289 5.553 1.00 0.00 H new ATOM 0 HA ALA A 115 -25.608 17.045 3.431 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -25.553 14.907 2.132 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -23.909 15.339 2.658 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -24.816 14.076 3.523 1.00 0.00 H new ATOM 1744 N VAL A 116 -27.850 15.698 3.604 1.00 0.00 N ATOM 1745 CA VAL A 116 -29.215 15.294 4.047 1.00 0.00 C ATOM 1746 C VAL A 116 -29.214 13.829 4.490 1.00 0.00 C ATOM 1747 O VAL A 116 -30.135 13.363 5.131 1.00 0.00 O ATOM 1748 CB VAL A 116 -30.104 15.482 2.818 1.00 0.00 C ATOM 1749 CG1 VAL A 116 -29.659 14.523 1.713 1.00 0.00 C ATOM 1750 CG2 VAL A 116 -31.557 15.187 3.192 1.00 0.00 C ATOM 0 H VAL A 116 -27.779 15.993 2.630 1.00 0.00 H new ATOM 0 HA VAL A 116 -29.565 15.883 4.895 1.00 0.00 H new ATOM 0 HB VAL A 116 -30.019 16.509 2.463 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -30.293 14.658 0.837 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -28.623 14.731 1.446 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -29.743 13.496 2.067 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -32.192 15.321 2.316 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -31.640 14.160 3.547 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -31.876 15.870 3.979 1.00 0.00 H new ATOM 1760 N SER A 117 -28.185 13.098 4.153 1.00 0.00 N ATOM 1761 CA SER A 117 -28.126 11.664 4.556 1.00 0.00 C ATOM 1762 C SER A 117 -27.424 11.526 5.908 1.00 0.00 C ATOM 1763 O SER A 117 -26.419 12.158 6.164 1.00 0.00 O ATOM 1764 CB SER A 117 -27.318 10.976 3.457 1.00 0.00 C ATOM 1765 OG SER A 117 -25.952 11.355 3.570 1.00 0.00 O ATOM 0 H SER A 117 -27.384 13.432 3.617 1.00 0.00 H new ATOM 0 HA SER A 117 -29.117 11.224 4.667 1.00 0.00 H new ATOM 0 HB2 SER A 117 -27.415 9.894 3.542 1.00 0.00 H new ATOM 0 HB3 SER A 117 -27.705 11.255 2.477 1.00 0.00 H new ATOM 0 HG SER A 117 -25.813 11.831 4.415 1.00 0.00 H new ATOM 1771 N GLU A 118 -27.949 10.705 6.777 1.00 0.00 N ATOM 1772 CA GLU A 118 -27.314 10.527 8.114 1.00 0.00 C ATOM 1773 C GLU A 118 -27.803 9.229 8.762 1.00 0.00 C ATOM 1774 O GLU A 118 -28.089 9.183 9.942 1.00 0.00 O ATOM 1775 CB GLU A 118 -27.767 11.738 8.929 1.00 0.00 C ATOM 1776 CG GLU A 118 -29.294 11.817 8.921 1.00 0.00 C ATOM 1777 CD GLU A 118 -29.733 13.249 9.230 1.00 0.00 C ATOM 1778 OE1 GLU A 118 -28.888 14.128 9.187 1.00 0.00 O ATOM 1779 OE2 GLU A 118 -30.906 13.442 9.504 1.00 0.00 O ATOM 0 H GLU A 118 -28.790 10.150 6.619 1.00 0.00 H new ATOM 0 HA GLU A 118 -26.228 10.460 8.052 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -27.402 11.658 9.953 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -27.343 12.651 8.510 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -29.679 11.509 7.949 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -29.708 11.131 9.660 1.00 0.00 H new ATOM 1786 N GLN A 119 -27.901 8.174 8.000 1.00 0.00 N ATOM 1787 CA GLN A 119 -28.372 6.881 8.574 1.00 0.00 C ATOM 1788 C GLN A 119 -27.200 6.122 9.202 1.00 0.00 C ATOM 1789 O GLN A 119 -26.320 6.772 9.741 1.00 0.00 O ATOM 1790 CB GLN A 119 -28.936 6.104 7.385 1.00 0.00 C ATOM 1791 CG GLN A 119 -30.453 6.294 7.325 1.00 0.00 C ATOM 1792 CD GLN A 119 -31.007 5.592 6.085 1.00 0.00 C ATOM 1793 OE1 GLN A 119 -30.638 5.916 4.973 1.00 0.00 O ATOM 1794 NE2 GLN A 119 -31.884 4.637 6.228 1.00 0.00 N ATOM 1795 OXT GLN A 119 -27.204 4.904 9.132 1.00 0.00 O ATOM 0 H GLN A 119 -27.676 8.151 7.005 1.00 0.00 H new ATOM 0 HA GLN A 119 -29.115 7.024 9.359 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -28.478 6.452 6.459 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -28.695 5.045 7.481 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -30.917 5.887 8.224 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -30.696 7.356 7.294 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -32.194 4.365 7.161 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -32.260 4.163 5.407 1.00 0.00 H new TER 1804 GLN A 119