USER MOD reduce.3.24.130724 H: found=0, std=0, add=859, rem=0, adj=39 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 60 THR OG1 : rot 180:sc= -0.453 USER MOD Set 1.2: A 61 THR OG1 : rot 180:sc= 0.175 USER MOD Set 2.1: A 52 MET CE :methyl 176:sc= -18.2! (180deg=-19.3!) USER MOD Set 2.2: A 57 HIS :FLIP no HD1:sc= -12.9! C(o=-32!,f=-30!) USER MOD Set 2.3: A 86 TYR OH : rot -150:sc= 1.33 USER MOD Set 3.1: A 40 THR OG1 : rot 150:sc= 0.0436 USER MOD Set 3.2: A 42 THR OG1 : rot 94:sc= 0.149 USER MOD Single : A 1 ALA N :NH3+ -109:sc= 0.024 (180deg=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.67) USER MOD Single : A 5 HIS : no HD1:sc= -0.167 X(o=-0.17,f=-0.039) USER MOD Single : A 6 HIS : no HD1:sc= -0.421 X(o=-0.42,f=-0.42) USER MOD Single : A 7 HIS : no HD1:sc= -0.0184 X(o=-0.018,f=-0.16) USER MOD Single : A 8 HIS : no HD1:sc=-0.00973 X(o=-0.0097,f=-0.079) USER MOD Single : A 9 HIS : no HD1:sc= -0.911 X(o=-0.91,f=-0.67) USER MOD Single : A 16 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 GLN : amide:sc=-0.00764 K(o=-0.0076,f=-1.9!) USER MOD Single : A 19 SER OG : rot 180:sc= -0.142 USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 TYR OH : rot 180:sc= -1.5! USER MOD Single : A 27 HIS : no HD1:sc= -0.303 X(o=-0.3,f=-0.025) USER MOD Single : A 31 GLN :FLIP amide:sc= -2.91! F(o=-3.4,f=-2.9!) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 33 TYR OH : rot 30:sc= -1.02! USER MOD Single : A 36 SER OG : rot 17:sc= 0.79 USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 GLN : amide:sc= -4.88! C(o=-4.9!,f=-12!) USER MOD Single : A 48 SER OG : rot 180:sc= -0.829 USER MOD Single : A 50 SER OG : rot -42:sc= 0.42 USER MOD Single : A 51 SER OG : rot -13:sc= 0.757 USER MOD Single : A 53 THR OG1 : rot 180:sc= -1.96! USER MOD Single : A 55 HIS : no HE2:sc= -6.71! C(o=-6.7!,f=-10!) USER MOD Single : A 58 GLN : amide:sc= 0 X(o=0,f=0) 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 X(o=0,f=0) USER MOD Single : A 70 THR OG1 : rot 180:sc= 0 USER MOD Single : A 72 ASN :FLIP amide:sc= -3.82! C(o=-8.2!,f=-3.8!) USER MOD Single : A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 ASN : amide:sc= -4.05 K(o=-4,f=-7.9!) USER MOD Single : A 82 SER OG : rot 61:sc= -1.4! USER MOD Single : A 87 THR OG1 : rot 99:sc= -2.11 USER MOD Single : A 88 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 91 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 TYR OH : rot 141:sc= -0.599 USER MOD Single : A 98 ASN : amide:sc= -0.378 K(o=-0.38,f=-2.1!) USER MOD Single : A 100 THR OG1 : rot -122:sc= -0.201 USER MOD Single : A 101 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 105 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 112 THR OG1 : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0.205 USER MOD Single : A 114 THR OG1 : rot -19:sc= 0.251 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD Single : A 119 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 22.377 25.185 -1.499 1.00 0.00 N ATOM 2 CA ALA A 1 22.629 24.773 -0.088 1.00 0.00 C ATOM 3 C ALA A 1 23.977 25.319 0.390 1.00 0.00 C ATOM 4 O ALA A 1 24.908 25.460 -0.377 1.00 0.00 O ATOM 5 CB ALA A 1 22.649 23.245 -0.120 1.00 0.00 C ATOM 0 H1 ALA A 1 21.620 25.898 -1.523 1.00 0.00 H new ATOM 0 H2 ALA A 1 23.246 25.589 -1.903 1.00 0.00 H new ATOM 0 H3 ALA A 1 22.089 24.356 -2.057 1.00 0.00 H new ATOM 0 HA ALA A 1 21.872 25.156 0.596 1.00 0.00 H new ATOM 0 HB1 ALA A 1 22.830 22.862 0.884 1.00 0.00 H new ATOM 0 HB2 ALA A 1 21.689 22.876 -0.481 1.00 0.00 H new ATOM 0 HB3 ALA A 1 23.442 22.905 -0.786 1.00 0.00 H new ATOM 13 N ARG A 2 24.086 25.629 1.653 1.00 0.00 N ATOM 14 CA ARG A 2 25.373 26.167 2.181 1.00 0.00 C ATOM 15 C ARG A 2 25.875 25.301 3.340 1.00 0.00 C ATOM 16 O ARG A 2 25.981 25.751 4.463 1.00 0.00 O ATOM 17 CB ARG A 2 25.039 27.577 2.671 1.00 0.00 C ATOM 18 CG ARG A 2 23.745 27.540 3.486 1.00 0.00 C ATOM 19 CD ARG A 2 23.833 28.550 4.633 1.00 0.00 C ATOM 20 NE ARG A 2 22.434 28.703 5.119 1.00 0.00 N ATOM 21 CZ ARG A 2 22.163 28.546 6.385 1.00 0.00 C ATOM 22 NH1 ARG A 2 22.401 29.513 7.228 1.00 0.00 N ATOM 23 NH2 ARG A 2 21.652 27.424 6.809 1.00 0.00 N ATOM 0 H ARG A 2 23.340 25.533 2.342 1.00 0.00 H new ATOM 0 HA ARG A 2 26.159 26.172 1.426 1.00 0.00 H new ATOM 0 HB2 ARG A 2 25.855 27.964 3.281 1.00 0.00 H new ATOM 0 HB3 ARG A 2 24.928 28.252 1.822 1.00 0.00 H new ATOM 0 HG2 ARG A 2 22.894 27.773 2.847 1.00 0.00 H new ATOM 0 HG3 ARG A 2 23.581 26.538 3.882 1.00 0.00 H new ATOM 0 HD2 ARG A 2 24.489 28.191 5.426 1.00 0.00 H new ATOM 0 HD3 ARG A 2 24.238 29.502 4.290 1.00 0.00 H new ATOM 0 HE ARG A 2 21.688 28.931 4.462 1.00 0.00 H new ATOM 0 HH11 ARG A 2 22.799 30.392 6.897 1.00 0.00 H new ATOM 0 HH12 ARG A 2 22.189 29.390 8.218 1.00 0.00 H new ATOM 0 HH21 ARG A 2 21.464 26.668 6.150 1.00 0.00 H new ATOM 0 HH22 ARG A 2 21.440 27.302 7.799 1.00 0.00 H new ATOM 37 N ILE A 3 26.186 24.062 3.075 1.00 0.00 N ATOM 38 CA ILE A 3 26.683 23.168 4.163 1.00 0.00 C ATOM 39 C ILE A 3 27.575 22.071 3.578 1.00 0.00 C ATOM 40 O ILE A 3 27.302 20.896 3.719 1.00 0.00 O ATOM 41 CB ILE A 3 25.425 22.560 4.783 1.00 0.00 C ATOM 42 CG1 ILE A 3 25.802 21.801 6.057 1.00 0.00 C ATOM 43 CG2 ILE A 3 24.781 21.593 3.788 1.00 0.00 C ATOM 44 CD1 ILE A 3 24.818 22.154 7.173 1.00 0.00 C ATOM 0 H ILE A 3 26.118 23.629 2.154 1.00 0.00 H new ATOM 0 HA ILE A 3 27.281 23.706 4.899 1.00 0.00 H new ATOM 0 HB ILE A 3 24.720 23.355 5.026 1.00 0.00 H new ATOM 0 HG12 ILE A 3 25.787 20.727 5.871 1.00 0.00 H new ATOM 0 HG13 ILE A 3 26.817 22.058 6.359 1.00 0.00 H new ATOM 0 HG21 ILE A 3 23.884 21.160 4.230 1.00 0.00 H new ATOM 0 HG22 ILE A 3 24.513 22.131 2.879 1.00 0.00 H new ATOM 0 HG23 ILE A 3 25.486 20.798 3.545 1.00 0.00 H new ATOM 0 HD11 ILE A 3 25.087 21.613 8.080 1.00 0.00 H new ATOM 0 HD12 ILE A 3 24.855 23.226 7.365 1.00 0.00 H new ATOM 0 HD13 ILE A 3 23.809 21.875 6.870 1.00 0.00 H new ATOM 56 N HIS A 4 28.639 22.445 2.921 1.00 0.00 N ATOM 57 CA HIS A 4 29.547 21.422 2.328 1.00 0.00 C ATOM 58 C HIS A 4 28.748 20.453 1.452 1.00 0.00 C ATOM 59 O HIS A 4 28.057 19.582 1.943 1.00 0.00 O ATOM 60 CB HIS A 4 30.155 20.691 3.524 1.00 0.00 C ATOM 61 CG HIS A 4 31.463 20.066 3.121 1.00 0.00 C ATOM 62 ND1 HIS A 4 32.307 20.651 2.190 1.00 0.00 N ATOM 63 CD2 HIS A 4 32.085 18.908 3.515 1.00 0.00 C ATOM 64 CE1 HIS A 4 33.380 19.851 2.056 1.00 0.00 C ATOM 65 NE2 HIS A 4 33.295 18.773 2.842 1.00 0.00 N ATOM 0 H HIS A 4 28.919 23.414 2.769 1.00 0.00 H new ATOM 0 HA HIS A 4 30.313 21.866 1.692 1.00 0.00 H new ATOM 0 HB2 HIS A 4 30.312 21.388 4.348 1.00 0.00 H new ATOM 0 HB3 HIS A 4 29.468 19.924 3.882 1.00 0.00 H new ATOM 0 HD2 HIS A 4 31.694 18.207 4.238 1.00 0.00 H new ATOM 0 HE1 HIS A 4 34.209 20.055 1.394 1.00 0.00 H new ATOM 0 HE2 HIS A 4 33.972 18.015 2.929 1.00 0.00 H new ATOM 73 N HIS A 5 28.836 20.599 0.158 1.00 0.00 N ATOM 74 CA HIS A 5 28.080 19.687 -0.749 1.00 0.00 C ATOM 75 C HIS A 5 28.902 18.429 -1.041 1.00 0.00 C ATOM 76 O HIS A 5 29.590 18.342 -2.038 1.00 0.00 O ATOM 77 CB HIS A 5 27.861 20.494 -2.029 1.00 0.00 C ATOM 78 CG HIS A 5 26.460 20.272 -2.529 1.00 0.00 C ATOM 79 ND1 HIS A 5 25.779 21.226 -3.268 1.00 0.00 N ATOM 80 CD2 HIS A 5 25.599 19.210 -2.404 1.00 0.00 C ATOM 81 CE1 HIS A 5 24.564 20.725 -3.556 1.00 0.00 C ATOM 82 NE2 HIS A 5 24.402 19.498 -3.054 1.00 0.00 N ATOM 0 H HIS A 5 29.398 21.310 -0.311 1.00 0.00 H new ATOM 0 HA HIS A 5 27.139 19.355 -0.310 1.00 0.00 H new ATOM 0 HB2 HIS A 5 28.026 21.554 -1.836 1.00 0.00 H new ATOM 0 HB3 HIS A 5 28.582 20.193 -2.789 1.00 0.00 H new ATOM 0 HD2 HIS A 5 25.817 18.291 -1.881 1.00 0.00 H new ATOM 0 HE1 HIS A 5 23.811 21.251 -4.124 1.00 0.00 H new ATOM 0 HE2 HIS A 5 23.579 18.901 -3.130 1.00 0.00 H new ATOM 90 N HIS A 6 28.834 17.453 -0.178 1.00 0.00 N ATOM 91 CA HIS A 6 29.611 16.201 -0.406 1.00 0.00 C ATOM 92 C HIS A 6 28.823 14.990 0.102 1.00 0.00 C ATOM 93 O HIS A 6 28.493 14.898 1.268 1.00 0.00 O ATOM 94 CB HIS A 6 30.898 16.383 0.399 1.00 0.00 C ATOM 95 CG HIS A 6 32.006 15.597 -0.245 1.00 0.00 C ATOM 96 ND1 HIS A 6 32.118 15.471 -1.621 1.00 0.00 N ATOM 97 CD2 HIS A 6 33.058 14.891 0.282 1.00 0.00 C ATOM 98 CE1 HIS A 6 33.203 14.717 -1.872 1.00 0.00 C ATOM 99 NE2 HIS A 6 33.813 14.336 -0.747 1.00 0.00 N ATOM 0 H HIS A 6 28.275 17.468 0.675 1.00 0.00 H new ATOM 0 HA HIS A 6 29.814 16.025 -1.463 1.00 0.00 H new ATOM 0 HB2 HIS A 6 31.165 17.439 0.444 1.00 0.00 H new ATOM 0 HB3 HIS A 6 30.748 16.048 1.425 1.00 0.00 H new ATOM 0 HD2 HIS A 6 33.268 14.782 1.336 1.00 0.00 H new ATOM 0 HE1 HIS A 6 33.540 14.452 -2.863 1.00 0.00 H new ATOM 0 HE2 HIS A 6 34.652 13.762 -0.660 1.00 0.00 H new ATOM 107 N HIS A 7 28.517 14.060 -0.763 1.00 0.00 N ATOM 108 CA HIS A 7 27.749 12.859 -0.323 1.00 0.00 C ATOM 109 C HIS A 7 28.508 12.125 0.786 1.00 0.00 C ATOM 110 O HIS A 7 29.721 12.055 0.779 1.00 0.00 O ATOM 111 CB HIS A 7 27.633 11.979 -1.568 1.00 0.00 C ATOM 112 CG HIS A 7 26.184 11.666 -1.824 1.00 0.00 C ATOM 113 ND1 HIS A 7 25.361 11.125 -0.849 1.00 0.00 N ATOM 114 CD2 HIS A 7 25.395 11.817 -2.939 1.00 0.00 C ATOM 115 CE1 HIS A 7 24.138 10.972 -1.389 1.00 0.00 C ATOM 116 NE2 HIS A 7 24.104 11.378 -2.661 1.00 0.00 N ATOM 0 H HIS A 7 28.765 14.080 -1.752 1.00 0.00 H new ATOM 0 HA HIS A 7 26.771 13.121 0.080 1.00 0.00 H new ATOM 0 HB2 HIS A 7 28.064 12.489 -2.429 1.00 0.00 H new ATOM 0 HB3 HIS A 7 28.197 11.057 -1.429 1.00 0.00 H new ATOM 0 HD2 HIS A 7 25.726 12.216 -3.887 1.00 0.00 H new ATOM 0 HE1 HIS A 7 23.288 10.570 -0.859 1.00 0.00 H new ATOM 0 HE2 HIS A 7 23.303 11.368 -3.293 1.00 0.00 H new ATOM 124 N HIS A 8 27.805 11.581 1.740 1.00 0.00 N ATOM 125 CA HIS A 8 28.488 10.855 2.849 1.00 0.00 C ATOM 126 C HIS A 8 29.376 9.742 2.288 1.00 0.00 C ATOM 127 O HIS A 8 30.447 9.475 2.794 1.00 0.00 O ATOM 128 CB HIS A 8 27.356 10.265 3.692 1.00 0.00 C ATOM 129 CG HIS A 8 26.649 11.371 4.426 1.00 0.00 C ATOM 130 ND1 HIS A 8 27.325 12.268 5.238 1.00 0.00 N ATOM 131 CD2 HIS A 8 25.328 11.740 4.479 1.00 0.00 C ATOM 132 CE1 HIS A 8 26.417 13.125 5.739 1.00 0.00 C ATOM 133 NE2 HIS A 8 25.184 12.848 5.308 1.00 0.00 N ATOM 0 H HIS A 8 26.787 11.607 1.800 1.00 0.00 H new ATOM 0 HA HIS A 8 29.134 11.510 3.434 1.00 0.00 H new ATOM 0 HB2 HIS A 8 26.653 9.731 3.053 1.00 0.00 H new ATOM 0 HB3 HIS A 8 27.756 9.541 4.402 1.00 0.00 H new ATOM 0 HD2 HIS A 8 24.523 11.245 3.956 1.00 0.00 H new ATOM 0 HE1 HIS A 8 26.656 13.938 6.408 1.00 0.00 H new ATOM 0 HE2 HIS A 8 24.322 13.342 5.537 1.00 0.00 H new ATOM 141 N HIS A 9 28.939 9.088 1.246 1.00 0.00 N ATOM 142 CA HIS A 9 29.760 7.991 0.658 1.00 0.00 C ATOM 143 C HIS A 9 30.307 8.408 -0.709 1.00 0.00 C ATOM 144 O HIS A 9 30.439 9.578 -1.008 1.00 0.00 O ATOM 145 CB HIS A 9 28.797 6.813 0.512 1.00 0.00 C ATOM 146 CG HIS A 9 29.548 5.526 0.712 1.00 0.00 C ATOM 147 ND1 HIS A 9 28.947 4.288 0.552 1.00 0.00 N ATOM 148 CD2 HIS A 9 30.852 5.268 1.059 1.00 0.00 C ATOM 149 CE1 HIS A 9 29.880 3.350 0.801 1.00 0.00 C ATOM 150 NE2 HIS A 9 31.058 3.893 1.114 1.00 0.00 N ATOM 0 H HIS A 9 28.051 9.265 0.777 1.00 0.00 H new ATOM 0 HA HIS A 9 30.620 7.743 1.279 1.00 0.00 H new ATOM 0 HB2 HIS A 9 27.992 6.894 1.242 1.00 0.00 H new ATOM 0 HB3 HIS A 9 28.334 6.827 -0.475 1.00 0.00 H new ATOM 0 HD2 HIS A 9 31.603 6.018 1.259 1.00 0.00 H new ATOM 0 HE1 HIS A 9 29.697 2.287 0.753 1.00 0.00 H new ATOM 0 HE2 HIS A 9 31.924 3.405 1.344 1.00 0.00 H new ATOM 158 N ILE A 10 30.626 7.455 -1.542 1.00 0.00 N ATOM 159 CA ILE A 10 31.165 7.788 -2.893 1.00 0.00 C ATOM 160 C ILE A 10 30.078 7.591 -3.953 1.00 0.00 C ATOM 161 O ILE A 10 29.138 6.846 -3.759 1.00 0.00 O ATOM 162 CB ILE A 10 32.315 6.804 -3.111 1.00 0.00 C ATOM 163 CG1 ILE A 10 33.118 7.223 -4.345 1.00 0.00 C ATOM 164 CG2 ILE A 10 31.751 5.399 -3.326 1.00 0.00 C ATOM 165 CD1 ILE A 10 34.237 6.210 -4.595 1.00 0.00 C ATOM 0 H ILE A 10 30.537 6.458 -1.345 1.00 0.00 H new ATOM 0 HA ILE A 10 31.497 8.824 -2.966 1.00 0.00 H new ATOM 0 HB ILE A 10 32.964 6.806 -2.235 1.00 0.00 H new ATOM 0 HG12 ILE A 10 32.464 7.280 -5.215 1.00 0.00 H new ATOM 0 HG13 ILE A 10 33.540 8.217 -4.197 1.00 0.00 H new ATOM 0 HG21 ILE A 10 32.571 4.698 -3.481 1.00 0.00 H new ATOM 0 HG22 ILE A 10 31.178 5.099 -2.449 1.00 0.00 H new ATOM 0 HG23 ILE A 10 31.102 5.398 -4.201 1.00 0.00 H new ATOM 0 HD11 ILE A 10 34.809 6.509 -5.474 1.00 0.00 H new ATOM 0 HD12 ILE A 10 34.897 6.175 -3.728 1.00 0.00 H new ATOM 0 HD13 ILE A 10 33.804 5.224 -4.762 1.00 0.00 H new ATOM 177 N GLU A 11 30.197 8.252 -5.072 1.00 0.00 N ATOM 178 CA GLU A 11 29.166 8.097 -6.139 1.00 0.00 C ATOM 179 C GLU A 11 29.834 7.815 -7.487 1.00 0.00 C ATOM 180 O GLU A 11 30.712 8.534 -7.920 1.00 0.00 O ATOM 181 CB GLU A 11 28.427 9.435 -6.177 1.00 0.00 C ATOM 182 CG GLU A 11 26.965 9.200 -6.562 1.00 0.00 C ATOM 183 CD GLU A 11 26.774 9.497 -8.051 1.00 0.00 C ATOM 184 OE1 GLU A 11 27.656 9.156 -8.821 1.00 0.00 O ATOM 185 OE2 GLU A 11 25.746 10.058 -8.396 1.00 0.00 O ATOM 0 H GLU A 11 30.961 8.891 -5.294 1.00 0.00 H new ATOM 0 HA GLU A 11 28.491 7.265 -5.940 1.00 0.00 H new ATOM 0 HB2 GLU A 11 28.484 9.922 -5.203 1.00 0.00 H new ATOM 0 HB3 GLU A 11 28.900 10.104 -6.896 1.00 0.00 H new ATOM 0 HG2 GLU A 11 26.683 8.169 -6.347 1.00 0.00 H new ATOM 0 HG3 GLU A 11 26.314 9.840 -5.966 1.00 0.00 H new ATOM 192 N GLY A 12 29.421 6.772 -8.154 1.00 0.00 N ATOM 193 CA GLY A 12 30.028 6.443 -9.474 1.00 0.00 C ATOM 194 C GLY A 12 28.928 6.022 -10.450 1.00 0.00 C ATOM 195 O GLY A 12 27.829 6.538 -10.420 1.00 0.00 O ATOM 0 H GLY A 12 28.689 6.134 -7.842 1.00 0.00 H new ATOM 0 HA2 GLY A 12 30.565 7.307 -9.865 1.00 0.00 H new ATOM 0 HA3 GLY A 12 30.756 5.640 -9.361 1.00 0.00 H new ATOM 199 N ARG A 13 29.213 5.088 -11.315 1.00 0.00 N ATOM 200 CA ARG A 13 28.180 4.637 -12.291 1.00 0.00 C ATOM 201 C ARG A 13 27.598 3.289 -11.858 1.00 0.00 C ATOM 202 O ARG A 13 27.972 2.248 -12.363 1.00 0.00 O ATOM 203 CB ARG A 13 28.921 4.500 -13.621 1.00 0.00 C ATOM 204 CG ARG A 13 30.105 3.548 -13.449 1.00 0.00 C ATOM 205 CD ARG A 13 31.411 4.317 -13.651 1.00 0.00 C ATOM 206 NE ARG A 13 32.180 4.099 -12.396 1.00 0.00 N ATOM 207 CZ ARG A 13 33.228 4.832 -12.137 1.00 0.00 C ATOM 208 NH1 ARG A 13 34.392 4.500 -12.624 1.00 0.00 N ATOM 209 NH2 ARG A 13 33.110 5.896 -11.392 1.00 0.00 N ATOM 0 H ARG A 13 30.115 4.618 -11.389 1.00 0.00 H new ATOM 0 HA ARG A 13 27.346 5.335 -12.361 1.00 0.00 H new ATOM 0 HB2 ARG A 13 28.246 4.122 -14.389 1.00 0.00 H new ATOM 0 HB3 ARG A 13 29.271 5.476 -13.957 1.00 0.00 H new ATOM 0 HG2 ARG A 13 30.084 3.100 -12.455 1.00 0.00 H new ATOM 0 HG3 ARG A 13 30.036 2.732 -14.168 1.00 0.00 H new ATOM 0 HD2 ARG A 13 31.957 3.947 -14.519 1.00 0.00 H new ATOM 0 HD3 ARG A 13 31.223 5.377 -13.821 1.00 0.00 H new ATOM 0 HE ARG A 13 31.888 3.376 -11.738 1.00 0.00 H new ATOM 0 HH11 ARG A 13 34.482 3.668 -13.207 1.00 0.00 H new ATOM 0 HH12 ARG A 13 35.212 5.073 -12.422 1.00 0.00 H new ATOM 0 HH21 ARG A 13 32.199 6.154 -11.012 1.00 0.00 H new ATOM 0 HH22 ARG A 13 33.929 6.470 -11.189 1.00 0.00 H new ATOM 223 N ALA A 14 26.685 3.303 -10.928 1.00 0.00 N ATOM 224 CA ALA A 14 26.075 2.027 -10.460 1.00 0.00 C ATOM 225 C ALA A 14 24.657 2.284 -9.946 1.00 0.00 C ATOM 226 O ALA A 14 24.462 2.593 -8.786 1.00 0.00 O ATOM 227 CB ALA A 14 26.980 1.547 -9.327 1.00 0.00 C ATOM 0 H ALA A 14 26.334 4.144 -10.471 1.00 0.00 H new ATOM 0 HA ALA A 14 25.997 1.287 -11.256 1.00 0.00 H new ATOM 0 HB1 ALA A 14 26.596 0.608 -8.928 1.00 0.00 H new ATOM 0 HB2 ALA A 14 27.990 1.394 -9.708 1.00 0.00 H new ATOM 0 HB3 ALA A 14 27.001 2.296 -8.536 1.00 0.00 H new ATOM 233 N PRO A 15 23.711 2.152 -10.835 1.00 0.00 N ATOM 234 CA PRO A 15 22.289 2.376 -10.476 1.00 0.00 C ATOM 235 C PRO A 15 21.766 1.221 -9.617 1.00 0.00 C ATOM 236 O PRO A 15 21.063 0.351 -10.090 1.00 0.00 O ATOM 237 CB PRO A 15 21.581 2.411 -11.828 1.00 0.00 C ATOM 238 CG PRO A 15 22.462 1.623 -12.745 1.00 0.00 C ATOM 239 CD PRO A 15 23.875 1.782 -12.245 1.00 0.00 C ATOM 0 HA PRO A 15 22.131 3.283 -9.893 1.00 0.00 H new ATOM 0 HB2 PRO A 15 20.585 1.973 -11.764 1.00 0.00 H new ATOM 0 HB3 PRO A 15 21.457 3.434 -12.182 1.00 0.00 H new ATOM 0 HG2 PRO A 15 22.171 0.573 -12.751 1.00 0.00 H new ATOM 0 HG3 PRO A 15 22.373 1.984 -13.770 1.00 0.00 H new ATOM 0 HD2 PRO A 15 24.443 0.858 -12.352 1.00 0.00 H new ATOM 0 HD3 PRO A 15 24.411 2.552 -12.800 1.00 0.00 H new ATOM 247 N THR A 16 22.107 1.206 -8.357 1.00 0.00 N ATOM 248 CA THR A 16 21.631 0.104 -7.471 1.00 0.00 C ATOM 249 C THR A 16 21.186 0.667 -6.117 1.00 0.00 C ATOM 250 O THR A 16 20.994 -0.061 -5.163 1.00 0.00 O ATOM 251 CB THR A 16 22.845 -0.812 -7.302 1.00 0.00 C ATOM 252 OG1 THR A 16 24.035 -0.044 -7.428 1.00 0.00 O ATOM 253 CG2 THR A 16 22.822 -1.898 -8.378 1.00 0.00 C ATOM 0 H THR A 16 22.693 1.907 -7.903 1.00 0.00 H new ATOM 0 HA THR A 16 20.774 -0.425 -7.888 1.00 0.00 H new ATOM 0 HB THR A 16 22.814 -1.279 -6.318 1.00 0.00 H new ATOM 0 HG1 THR A 16 24.814 -0.628 -7.319 1.00 0.00 H new ATOM 0 HG21 THR A 16 23.687 -2.549 -8.256 1.00 0.00 H new ATOM 0 HG22 THR A 16 21.909 -2.486 -8.282 1.00 0.00 H new ATOM 0 HG23 THR A 16 22.853 -1.434 -9.364 1.00 0.00 H new ATOM 261 N GLU A 17 21.026 1.960 -6.026 1.00 0.00 N ATOM 262 CA GLU A 17 20.599 2.577 -4.738 1.00 0.00 C ATOM 263 C GLU A 17 19.466 1.769 -4.097 1.00 0.00 C ATOM 264 O GLU A 17 18.392 1.642 -4.649 1.00 0.00 O ATOM 265 CB GLU A 17 20.111 3.977 -5.116 1.00 0.00 C ATOM 266 CG GLU A 17 19.031 3.869 -6.196 1.00 0.00 C ATOM 267 CD GLU A 17 19.150 5.054 -7.157 1.00 0.00 C ATOM 268 OE1 GLU A 17 19.845 5.998 -6.820 1.00 0.00 O ATOM 269 OE2 GLU A 17 18.545 4.995 -8.215 1.00 0.00 O ATOM 0 H GLU A 17 21.173 2.618 -6.792 1.00 0.00 H new ATOM 0 HA GLU A 17 21.410 2.605 -4.010 1.00 0.00 H new ATOM 0 HB2 GLU A 17 19.712 4.484 -4.237 1.00 0.00 H new ATOM 0 HB3 GLU A 17 20.944 4.578 -5.479 1.00 0.00 H new ATOM 0 HG2 GLU A 17 19.140 2.932 -6.742 1.00 0.00 H new ATOM 0 HG3 GLU A 17 18.042 3.857 -5.737 1.00 0.00 H new ATOM 276 N GLN A 18 19.700 1.226 -2.932 1.00 0.00 N ATOM 277 CA GLN A 18 18.643 0.432 -2.252 1.00 0.00 C ATOM 278 C GLN A 18 17.401 1.296 -2.016 1.00 0.00 C ATOM 279 O GLN A 18 17.220 1.867 -0.959 1.00 0.00 O ATOM 280 CB GLN A 18 19.264 0.006 -0.920 1.00 0.00 C ATOM 281 CG GLN A 18 19.329 -1.522 -0.854 1.00 0.00 C ATOM 282 CD GLN A 18 19.620 -1.960 0.583 1.00 0.00 C ATOM 283 OE1 GLN A 18 19.734 -1.138 1.471 1.00 0.00 O ATOM 284 NE2 GLN A 18 19.746 -3.232 0.852 1.00 0.00 N ATOM 0 H GLN A 18 20.581 1.300 -2.423 1.00 0.00 H new ATOM 0 HA GLN A 18 18.323 -0.425 -2.845 1.00 0.00 H new ATOM 0 HB2 GLN A 18 20.264 0.428 -0.821 1.00 0.00 H new ATOM 0 HB3 GLN A 18 18.672 0.392 -0.090 1.00 0.00 H new ATOM 0 HG2 GLN A 18 18.386 -1.951 -1.192 1.00 0.00 H new ATOM 0 HG3 GLN A 18 20.106 -1.893 -1.523 1.00 0.00 H new ATOM 0 HE21 GLN A 18 19.650 -3.923 0.107 1.00 0.00 H new ATOM 0 HE22 GLN A 18 19.940 -3.535 1.807 1.00 0.00 H new ATOM 293 N SER A 19 16.544 1.400 -2.995 1.00 0.00 N ATOM 294 CA SER A 19 15.317 2.231 -2.829 1.00 0.00 C ATOM 295 C SER A 19 14.175 1.383 -2.258 1.00 0.00 C ATOM 296 O SER A 19 13.849 0.342 -2.793 1.00 0.00 O ATOM 297 CB SER A 19 14.975 2.716 -4.239 1.00 0.00 C ATOM 298 OG SER A 19 13.819 2.033 -4.707 1.00 0.00 O ATOM 0 H SER A 19 16.640 0.945 -3.903 1.00 0.00 H new ATOM 0 HA SER A 19 15.469 3.061 -2.139 1.00 0.00 H new ATOM 0 HB2 SER A 19 14.797 3.791 -4.232 1.00 0.00 H new ATOM 0 HB3 SER A 19 15.814 2.536 -4.911 1.00 0.00 H new ATOM 0 HG SER A 19 13.598 2.344 -5.610 1.00 0.00 H new ATOM 304 N PRO A 20 13.601 1.860 -1.185 1.00 0.00 N ATOM 305 CA PRO A 20 12.482 1.136 -0.536 1.00 0.00 C ATOM 306 C PRO A 20 11.204 1.264 -1.371 1.00 0.00 C ATOM 307 O PRO A 20 10.885 0.404 -2.168 1.00 0.00 O ATOM 308 CB PRO A 20 12.335 1.838 0.811 1.00 0.00 C ATOM 309 CG PRO A 20 12.900 3.208 0.605 1.00 0.00 C ATOM 310 CD PRO A 20 13.937 3.105 -0.485 1.00 0.00 C ATOM 0 HA PRO A 20 12.664 0.066 -0.432 1.00 0.00 H new ATOM 0 HB2 PRO A 20 11.290 1.885 1.118 1.00 0.00 H new ATOM 0 HB3 PRO A 20 12.873 1.304 1.594 1.00 0.00 H new ATOM 0 HG2 PRO A 20 12.115 3.909 0.323 1.00 0.00 H new ATOM 0 HG3 PRO A 20 13.346 3.582 1.526 1.00 0.00 H new ATOM 0 HD2 PRO A 20 13.896 3.963 -1.156 1.00 0.00 H new ATOM 0 HD3 PRO A 20 14.946 3.071 -0.073 1.00 0.00 H new ATOM 318 N GLY A 21 10.469 2.328 -1.197 1.00 0.00 N ATOM 319 CA GLY A 21 9.216 2.503 -1.982 1.00 0.00 C ATOM 320 C GLY A 21 8.008 2.343 -1.059 1.00 0.00 C ATOM 321 O GLY A 21 7.605 1.245 -0.731 1.00 0.00 O ATOM 0 H GLY A 21 10.682 3.083 -0.545 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.202 3.488 -2.449 1.00 0.00 H new ATOM 0 HA3 GLY A 21 9.172 1.768 -2.786 1.00 0.00 H new ATOM 325 N VAL A 22 7.425 3.432 -0.638 1.00 0.00 N ATOM 326 CA VAL A 22 6.241 3.344 0.264 1.00 0.00 C ATOM 327 C VAL A 22 5.085 4.165 -0.313 1.00 0.00 C ATOM 328 O VAL A 22 4.850 5.289 0.085 1.00 0.00 O ATOM 329 CB VAL A 22 6.713 3.936 1.591 1.00 0.00 C ATOM 330 CG1 VAL A 22 5.627 3.744 2.651 1.00 0.00 C ATOM 331 CG2 VAL A 22 7.993 3.226 2.037 1.00 0.00 C ATOM 0 H VAL A 22 7.717 4.379 -0.879 1.00 0.00 H new ATOM 0 HA VAL A 22 5.879 2.322 0.382 1.00 0.00 H new ATOM 0 HB VAL A 22 6.912 5.000 1.465 1.00 0.00 H new ATOM 0 HG11 VAL A 22 5.964 4.166 3.598 1.00 0.00 H new ATOM 0 HG12 VAL A 22 4.715 4.248 2.333 1.00 0.00 H new ATOM 0 HG13 VAL A 22 5.428 2.680 2.779 1.00 0.00 H new ATOM 0 HG21 VAL A 22 8.332 3.647 2.984 1.00 0.00 H new ATOM 0 HG22 VAL A 22 7.794 2.162 2.164 1.00 0.00 H new ATOM 0 HG23 VAL A 22 8.767 3.363 1.282 1.00 0.00 H new ATOM 341 N GLN A 23 4.372 3.617 -1.256 1.00 0.00 N ATOM 342 CA GLN A 23 3.245 4.362 -1.872 1.00 0.00 C ATOM 343 C GLN A 23 2.062 4.466 -0.905 1.00 0.00 C ATOM 344 O GLN A 23 0.949 4.106 -1.233 1.00 0.00 O ATOM 345 CB GLN A 23 2.863 3.546 -3.106 1.00 0.00 C ATOM 346 CG GLN A 23 4.046 3.504 -4.076 1.00 0.00 C ATOM 347 CD GLN A 23 3.901 2.298 -5.005 1.00 0.00 C ATOM 348 OE1 GLN A 23 4.617 1.326 -4.874 1.00 0.00 O ATOM 349 NE2 GLN A 23 2.996 2.319 -5.945 1.00 0.00 N ATOM 0 H GLN A 23 4.524 2.679 -1.627 1.00 0.00 H new ATOM 0 HA GLN A 23 3.523 5.385 -2.124 1.00 0.00 H new ATOM 0 HB2 GLN A 23 2.583 2.534 -2.814 1.00 0.00 H new ATOM 0 HB3 GLN A 23 1.995 3.989 -3.594 1.00 0.00 H new ATOM 0 HG2 GLN A 23 4.084 4.424 -4.660 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.982 3.439 -3.522 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.394 3.135 -6.055 1.00 0.00 H new ATOM 0 HE22 GLN A 23 2.890 1.519 -6.569 1.00 0.00 H new ATOM 358 N ASP A 24 2.290 4.962 0.279 1.00 0.00 N ATOM 359 CA ASP A 24 1.174 5.096 1.258 1.00 0.00 C ATOM 360 C ASP A 24 0.170 6.138 0.759 1.00 0.00 C ATOM 361 O ASP A 24 0.289 7.315 1.035 1.00 0.00 O ATOM 362 CB ASP A 24 1.837 5.559 2.556 1.00 0.00 C ATOM 363 CG ASP A 24 2.569 6.880 2.315 1.00 0.00 C ATOM 364 OD1 ASP A 24 2.932 7.135 1.178 1.00 0.00 O ATOM 365 OD2 ASP A 24 2.756 7.614 3.271 1.00 0.00 O ATOM 0 H ASP A 24 3.200 5.280 0.612 1.00 0.00 H new ATOM 0 HA ASP A 24 0.625 4.165 1.398 1.00 0.00 H new ATOM 0 HB2 ASP A 24 1.085 5.685 3.335 1.00 0.00 H new ATOM 0 HB3 ASP A 24 2.538 4.802 2.908 1.00 0.00 H new ATOM 370 N CYS A 25 -0.815 5.709 0.022 1.00 0.00 N ATOM 371 CA CYS A 25 -1.833 6.671 -0.505 1.00 0.00 C ATOM 372 C CYS A 25 -3.105 5.933 -0.925 1.00 0.00 C ATOM 373 O CYS A 25 -3.081 4.756 -1.226 1.00 0.00 O ATOM 374 CB CYS A 25 -1.185 7.316 -1.723 1.00 0.00 C ATOM 375 SG CYS A 25 -0.505 8.928 -1.272 1.00 0.00 S ATOM 0 H CYS A 25 -0.963 4.735 -0.241 1.00 0.00 H new ATOM 0 HA CYS A 25 -2.119 7.404 0.249 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -0.394 6.673 -2.109 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -1.920 7.431 -2.520 1.00 0.00 H new ATOM 380 N TYR A 26 -4.214 6.618 -0.960 1.00 0.00 N ATOM 381 CA TYR A 26 -5.482 5.948 -1.377 1.00 0.00 C ATOM 382 C TYR A 26 -6.529 6.982 -1.798 1.00 0.00 C ATOM 383 O TYR A 26 -6.318 8.171 -1.697 1.00 0.00 O ATOM 384 CB TYR A 26 -5.946 5.160 -0.149 1.00 0.00 C ATOM 385 CG TYR A 26 -6.491 6.100 0.900 1.00 0.00 C ATOM 386 CD1 TYR A 26 -7.743 6.700 0.727 1.00 0.00 C ATOM 387 CD2 TYR A 26 -5.745 6.360 2.053 1.00 0.00 C ATOM 388 CE1 TYR A 26 -8.247 7.562 1.709 1.00 0.00 C ATOM 389 CE2 TYR A 26 -6.246 7.222 3.035 1.00 0.00 C ATOM 390 CZ TYR A 26 -7.498 7.824 2.863 1.00 0.00 C ATOM 391 OH TYR A 26 -7.995 8.674 3.830 1.00 0.00 O ATOM 0 H TYR A 26 -4.300 7.606 -0.720 1.00 0.00 H new ATOM 0 HA TYR A 26 -5.334 5.297 -2.238 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -6.713 4.442 -0.438 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -5.113 4.589 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -8.320 6.499 -0.163 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -4.780 5.895 2.186 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -9.214 8.025 1.576 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -5.667 7.423 3.925 1.00 0.00 H new ATOM 0 HH TYR A 26 -7.351 8.746 4.565 1.00 0.00 H new ATOM 401 N HIS A 27 -7.662 6.537 -2.265 1.00 0.00 N ATOM 402 CA HIS A 27 -8.724 7.497 -2.685 1.00 0.00 C ATOM 403 C HIS A 27 -10.040 7.153 -1.982 1.00 0.00 C ATOM 404 O HIS A 27 -10.510 6.034 -2.040 1.00 0.00 O ATOM 405 CB HIS A 27 -8.854 7.315 -4.198 1.00 0.00 C ATOM 406 CG HIS A 27 -9.908 8.251 -4.727 1.00 0.00 C ATOM 407 ND1 HIS A 27 -10.507 8.066 -5.964 1.00 0.00 N ATOM 408 CD2 HIS A 27 -10.480 9.382 -4.200 1.00 0.00 C ATOM 409 CE1 HIS A 27 -11.394 9.062 -6.138 1.00 0.00 C ATOM 410 NE2 HIS A 27 -11.418 9.893 -5.093 1.00 0.00 N ATOM 0 H HIS A 27 -7.900 5.551 -2.374 1.00 0.00 H new ATOM 0 HA HIS A 27 -8.481 8.527 -2.425 1.00 0.00 H new ATOM 0 HB2 HIS A 27 -7.898 7.515 -4.683 1.00 0.00 H new ATOM 0 HB3 HIS A 27 -9.119 6.283 -4.430 1.00 0.00 H new ATOM 0 HD2 HIS A 27 -10.239 9.811 -3.238 1.00 0.00 H new ATOM 0 HE1 HIS A 27 -12.012 9.176 -7.016 1.00 0.00 H new ATOM 0 HE2 HIS A 27 -11.998 10.723 -4.975 1.00 0.00 H new ATOM 418 N GLY A 28 -10.636 8.102 -1.311 1.00 0.00 N ATOM 419 CA GLY A 28 -11.915 7.819 -0.600 1.00 0.00 C ATOM 420 C GLY A 28 -11.688 6.684 0.398 1.00 0.00 C ATOM 421 O GLY A 28 -11.417 6.910 1.561 1.00 0.00 O ATOM 0 H GLY A 28 -10.293 9.059 -1.225 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -12.263 8.712 -0.082 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -12.690 7.543 -1.315 1.00 0.00 H new ATOM 425 N ASP A 29 -11.783 5.464 -0.051 1.00 0.00 N ATOM 426 CA ASP A 29 -11.559 4.311 0.864 1.00 0.00 C ATOM 427 C ASP A 29 -10.444 3.435 0.321 1.00 0.00 C ATOM 428 O ASP A 29 -10.339 2.269 0.644 1.00 0.00 O ATOM 429 CB ASP A 29 -12.885 3.551 0.886 1.00 0.00 C ATOM 430 CG ASP A 29 -13.758 4.085 2.023 1.00 0.00 C ATOM 431 OD1 ASP A 29 -13.419 5.125 2.566 1.00 0.00 O ATOM 432 OD2 ASP A 29 -14.749 3.445 2.334 1.00 0.00 O ATOM 0 H ASP A 29 -12.007 5.215 -1.015 1.00 0.00 H new ATOM 0 HA ASP A 29 -11.263 4.624 1.865 1.00 0.00 H new ATOM 0 HB2 ASP A 29 -13.400 3.668 -0.068 1.00 0.00 H new ATOM 0 HB3 ASP A 29 -12.704 2.485 1.022 1.00 0.00 H new ATOM 437 N GLY A 30 -9.623 3.984 -0.526 1.00 0.00 N ATOM 438 CA GLY A 30 -8.528 3.177 -1.118 1.00 0.00 C ATOM 439 C GLY A 30 -9.137 2.025 -1.919 1.00 0.00 C ATOM 440 O GLY A 30 -8.433 1.186 -2.446 1.00 0.00 O ATOM 0 H GLY A 30 -9.664 4.956 -0.833 1.00 0.00 H new ATOM 0 HA2 GLY A 30 -7.909 3.799 -1.764 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -7.880 2.788 -0.333 1.00 0.00 H new ATOM 444 N GLN A 31 -10.443 1.974 -2.020 1.00 0.00 N ATOM 445 CA GLN A 31 -11.078 0.868 -2.793 1.00 0.00 C ATOM 446 C GLN A 31 -10.606 0.913 -4.248 1.00 0.00 C ATOM 447 O GLN A 31 -10.688 -0.061 -4.969 1.00 0.00 O ATOM 448 CB GLN A 31 -12.582 1.126 -2.702 1.00 0.00 C ATOM 449 CG GLN A 31 -13.321 0.174 -3.645 1.00 0.00 C ATOM 450 CD GLN A 31 -13.270 -1.247 -3.079 1.00 0.00 C ATOM 451 OE1 GLN A 31 -14.373 -1.814 -2.674 1.00 0.00 O flip ATOM 452 NE2 GLN A 31 -12.216 -1.847 -3.005 1.00 0.00 N flip ATOM 0 H GLN A 31 -11.089 2.645 -1.604 1.00 0.00 H new ATOM 0 HA GLN A 31 -10.817 -0.116 -2.403 1.00 0.00 H new ATOM 0 HB2 GLN A 31 -12.926 0.980 -1.678 1.00 0.00 H new ATOM 0 HB3 GLN A 31 -12.801 2.160 -2.967 1.00 0.00 H new ATOM 0 HG2 GLN A 31 -14.357 0.493 -3.763 1.00 0.00 H new ATOM 0 HG3 GLN A 31 -12.865 0.199 -4.635 1.00 0.00 H new ATOM 0 HE21 GLN A 31 -11.354 -1.404 -3.322 1.00 0.00 H new ATOM 0 HE22 GLN A 31 -12.194 -2.794 -2.626 1.00 0.00 H new ATOM 461 N SER A 32 -10.103 2.035 -4.679 1.00 0.00 N ATOM 462 CA SER A 32 -9.614 2.144 -6.082 1.00 0.00 C ATOM 463 C SER A 32 -8.086 2.080 -6.099 1.00 0.00 C ATOM 464 O SER A 32 -7.441 2.568 -7.006 1.00 0.00 O ATOM 465 CB SER A 32 -10.099 3.509 -6.567 1.00 0.00 C ATOM 466 OG SER A 32 -10.525 3.403 -7.920 1.00 0.00 O ATOM 0 H SER A 32 -10.009 2.883 -4.120 1.00 0.00 H new ATOM 0 HA SER A 32 -9.980 1.337 -6.717 1.00 0.00 H new ATOM 0 HB2 SER A 32 -10.920 3.859 -5.942 1.00 0.00 H new ATOM 0 HB3 SER A 32 -9.298 4.243 -6.482 1.00 0.00 H new ATOM 0 HG SER A 32 -10.838 4.277 -8.234 1.00 0.00 H new ATOM 472 N TYR A 33 -7.503 1.483 -5.095 1.00 0.00 N ATOM 473 CA TYR A 33 -6.016 1.388 -5.042 1.00 0.00 C ATOM 474 C TYR A 33 -5.516 0.300 -5.998 1.00 0.00 C ATOM 475 O TYR A 33 -6.175 -0.696 -6.221 1.00 0.00 O ATOM 476 CB TYR A 33 -5.701 1.019 -3.593 1.00 0.00 C ATOM 477 CG TYR A 33 -4.217 0.796 -3.437 1.00 0.00 C ATOM 478 CD1 TYR A 33 -3.311 1.745 -3.924 1.00 0.00 C ATOM 479 CD2 TYR A 33 -3.747 -0.360 -2.803 1.00 0.00 C ATOM 480 CE1 TYR A 33 -1.934 1.538 -3.777 1.00 0.00 C ATOM 481 CE2 TYR A 33 -2.371 -0.567 -2.656 1.00 0.00 C ATOM 482 CZ TYR A 33 -1.464 0.382 -3.143 1.00 0.00 C ATOM 483 OH TYR A 33 -0.107 0.178 -2.997 1.00 0.00 O ATOM 0 H TYR A 33 -7.993 1.057 -4.308 1.00 0.00 H new ATOM 0 HA TYR A 33 -5.530 2.316 -5.344 1.00 0.00 H new ATOM 0 HB2 TYR A 33 -6.031 1.814 -2.925 1.00 0.00 H new ATOM 0 HB3 TYR A 33 -6.246 0.118 -3.310 1.00 0.00 H new ATOM 0 HD1 TYR A 33 -3.674 2.637 -4.413 1.00 0.00 H new ATOM 0 HD2 TYR A 33 -4.446 -1.092 -2.427 1.00 0.00 H new ATOM 0 HE1 TYR A 33 -1.235 2.270 -4.153 1.00 0.00 H new ATOM 0 HE2 TYR A 33 -2.008 -1.459 -2.167 1.00 0.00 H new ATOM 0 HH TYR A 33 0.348 1.043 -2.926 1.00 0.00 H new ATOM 493 N ARG A 34 -4.354 0.487 -6.565 1.00 0.00 N ATOM 494 CA ARG A 34 -3.806 -0.532 -7.507 1.00 0.00 C ATOM 495 C ARG A 34 -3.849 -1.923 -6.870 1.00 0.00 C ATOM 496 O ARG A 34 -3.971 -2.924 -7.549 1.00 0.00 O ATOM 497 CB ARG A 34 -2.360 -0.100 -7.756 1.00 0.00 C ATOM 498 CG ARG A 34 -1.673 -1.114 -8.673 1.00 0.00 C ATOM 499 CD ARG A 34 -0.732 -0.379 -9.630 1.00 0.00 C ATOM 500 NE ARG A 34 -1.264 -0.670 -10.989 1.00 0.00 N ATOM 501 CZ ARG A 34 -1.352 0.285 -11.873 1.00 0.00 C ATOM 502 NH1 ARG A 34 -2.001 1.381 -11.587 1.00 0.00 N ATOM 503 NH2 ARG A 34 -0.790 0.144 -13.042 1.00 0.00 N ATOM 0 H ARG A 34 -3.760 1.303 -6.416 1.00 0.00 H new ATOM 0 HA ARG A 34 -4.381 -0.591 -8.431 1.00 0.00 H new ATOM 0 HB2 ARG A 34 -2.339 0.890 -8.211 1.00 0.00 H new ATOM 0 HB3 ARG A 34 -1.823 -0.028 -6.810 1.00 0.00 H new ATOM 0 HG2 ARG A 34 -1.114 -1.837 -8.079 1.00 0.00 H new ATOM 0 HG3 ARG A 34 -2.419 -1.674 -9.237 1.00 0.00 H new ATOM 0 HD2 ARG A 34 -0.723 0.693 -9.430 1.00 0.00 H new ATOM 0 HD3 ARG A 34 0.294 -0.731 -9.524 1.00 0.00 H new ATOM 0 HE ARG A 34 -1.560 -1.616 -11.229 1.00 0.00 H new ATOM 0 HH11 ARG A 34 -2.439 1.490 -10.672 1.00 0.00 H new ATOM 0 HH12 ARG A 34 -2.070 2.128 -12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 34 -0.282 -0.712 -13.264 1.00 0.00 H new ATOM 0 HH22 ARG A 34 -0.858 0.890 -13.734 1.00 0.00 H new ATOM 517 N GLY A 35 -3.750 -1.995 -5.571 1.00 0.00 N ATOM 518 CA GLY A 35 -3.786 -3.322 -4.894 1.00 0.00 C ATOM 519 C GLY A 35 -2.397 -3.961 -4.944 1.00 0.00 C ATOM 520 O GLY A 35 -2.210 -5.021 -5.507 1.00 0.00 O ATOM 0 H GLY A 35 -3.646 -1.193 -4.950 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -4.107 -3.205 -3.859 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -4.514 -3.971 -5.382 1.00 0.00 H new ATOM 524 N SER A 36 -1.421 -3.324 -4.357 1.00 0.00 N ATOM 525 CA SER A 36 -0.044 -3.896 -4.369 1.00 0.00 C ATOM 526 C SER A 36 0.756 -3.370 -3.176 1.00 0.00 C ATOM 527 O SER A 36 1.971 -3.355 -3.188 1.00 0.00 O ATOM 528 CB SER A 36 0.573 -3.414 -5.682 1.00 0.00 C ATOM 529 OG SER A 36 1.991 -3.441 -5.572 1.00 0.00 O ATOM 0 H SER A 36 -1.517 -2.433 -3.870 1.00 0.00 H new ATOM 0 HA SER A 36 -0.047 -4.983 -4.295 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.248 -4.050 -6.505 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.233 -2.403 -5.907 1.00 0.00 H new ATOM 0 HG SER A 36 2.249 -4.000 -4.810 1.00 0.00 H new ATOM 535 N PHE A 37 0.085 -2.933 -2.145 1.00 0.00 N ATOM 536 CA PHE A 37 0.811 -2.405 -0.955 1.00 0.00 C ATOM 537 C PHE A 37 1.084 -3.527 0.053 1.00 0.00 C ATOM 538 O PHE A 37 0.410 -3.657 1.054 1.00 0.00 O ATOM 539 CB PHE A 37 -0.117 -1.349 -0.355 1.00 0.00 C ATOM 540 CG PHE A 37 0.688 -0.410 0.509 1.00 0.00 C ATOM 541 CD1 PHE A 37 1.305 0.712 -0.057 1.00 0.00 C ATOM 542 CD2 PHE A 37 0.820 -0.665 1.877 1.00 0.00 C ATOM 543 CE1 PHE A 37 2.054 1.579 0.749 1.00 0.00 C ATOM 544 CE2 PHE A 37 1.568 0.201 2.683 1.00 0.00 C ATOM 545 CZ PHE A 37 2.186 1.323 2.119 1.00 0.00 C ATOM 0 H PHE A 37 -0.933 -2.919 -2.075 1.00 0.00 H new ATOM 0 HA PHE A 37 1.781 -1.986 -1.222 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -0.616 -0.793 -1.149 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -0.897 -1.828 0.237 1.00 0.00 H new ATOM 0 HD1 PHE A 37 1.204 0.909 -1.114 1.00 0.00 H new ATOM 0 HD2 PHE A 37 0.344 -1.531 2.313 1.00 0.00 H new ATOM 0 HE1 PHE A 37 2.530 2.445 0.313 1.00 0.00 H new ATOM 0 HE2 PHE A 37 1.668 0.003 3.740 1.00 0.00 H new ATOM 0 HZ PHE A 37 2.764 1.991 2.740 1.00 0.00 H new ATOM 555 N SER A 38 2.071 -4.338 -0.214 1.00 0.00 N ATOM 556 CA SER A 38 2.411 -5.468 0.706 1.00 0.00 C ATOM 557 C SER A 38 2.838 -4.979 2.104 1.00 0.00 C ATOM 558 O SER A 38 3.154 -5.776 2.964 1.00 0.00 O ATOM 559 CB SER A 38 3.590 -6.158 0.029 1.00 0.00 C ATOM 560 OG SER A 38 4.763 -5.382 0.229 1.00 0.00 O ATOM 0 H SER A 38 2.665 -4.267 -1.040 1.00 0.00 H new ATOM 0 HA SER A 38 1.550 -6.117 0.865 1.00 0.00 H new ATOM 0 HB2 SER A 38 3.727 -7.158 0.440 1.00 0.00 H new ATOM 0 HB3 SER A 38 3.395 -6.276 -1.037 1.00 0.00 H new ATOM 0 HG SER A 38 5.524 -5.823 -0.203 1.00 0.00 H new ATOM 566 N THR A 39 2.852 -3.696 2.353 1.00 0.00 N ATOM 567 CA THR A 39 3.258 -3.219 3.707 1.00 0.00 C ATOM 568 C THR A 39 2.009 -2.892 4.527 1.00 0.00 C ATOM 569 O THR A 39 1.177 -2.109 4.120 1.00 0.00 O ATOM 570 CB THR A 39 4.088 -1.959 3.457 1.00 0.00 C ATOM 571 OG1 THR A 39 5.226 -2.290 2.673 1.00 0.00 O ATOM 572 CG2 THR A 39 4.542 -1.373 4.795 1.00 0.00 C ATOM 0 H THR A 39 2.603 -2.966 1.686 1.00 0.00 H new ATOM 0 HA THR A 39 3.826 -3.965 4.263 1.00 0.00 H new ATOM 0 HB THR A 39 3.483 -1.224 2.926 1.00 0.00 H new ATOM 0 HG1 THR A 39 5.758 -1.483 2.511 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.134 -0.475 4.617 1.00 0.00 H new ATOM 0 HG22 THR A 39 3.669 -1.119 5.396 1.00 0.00 H new ATOM 0 HG23 THR A 39 5.148 -2.107 5.327 1.00 0.00 H new ATOM 580 N THR A 40 1.861 -3.499 5.671 1.00 0.00 N ATOM 581 CA THR A 40 0.649 -3.232 6.496 1.00 0.00 C ATOM 582 C THR A 40 0.832 -1.973 7.351 1.00 0.00 C ATOM 583 O THR A 40 1.918 -1.443 7.476 1.00 0.00 O ATOM 584 CB THR A 40 0.492 -4.468 7.383 1.00 0.00 C ATOM 585 OG1 THR A 40 1.693 -4.683 8.111 1.00 0.00 O ATOM 586 CG2 THR A 40 0.196 -5.691 6.513 1.00 0.00 C ATOM 0 H THR A 40 2.523 -4.165 6.069 1.00 0.00 H new ATOM 0 HA THR A 40 -0.231 -3.056 5.877 1.00 0.00 H new ATOM 0 HB THR A 40 -0.333 -4.312 8.078 1.00 0.00 H new ATOM 0 HG1 THR A 40 1.484 -5.108 8.969 1.00 0.00 H new ATOM 0 HG21 THR A 40 0.085 -6.570 7.147 1.00 0.00 H new ATOM 0 HG22 THR A 40 -0.726 -5.526 5.956 1.00 0.00 H new ATOM 0 HG23 THR A 40 1.018 -5.849 5.815 1.00 0.00 H new ATOM 594 N VAL A 41 -0.232 -1.494 7.941 1.00 0.00 N ATOM 595 CA VAL A 41 -0.138 -0.271 8.792 1.00 0.00 C ATOM 596 C VAL A 41 0.988 -0.430 9.822 1.00 0.00 C ATOM 597 O VAL A 41 1.682 0.513 10.148 1.00 0.00 O ATOM 598 CB VAL A 41 -1.507 -0.171 9.483 1.00 0.00 C ATOM 599 CG1 VAL A 41 -1.378 0.587 10.808 1.00 0.00 C ATOM 600 CG2 VAL A 41 -2.482 0.579 8.574 1.00 0.00 C ATOM 0 H VAL A 41 -1.165 -1.899 7.870 1.00 0.00 H new ATOM 0 HA VAL A 41 0.092 0.626 8.216 1.00 0.00 H new ATOM 0 HB VAL A 41 -1.876 -1.178 9.679 1.00 0.00 H new ATOM 0 HG11 VAL A 41 -2.355 0.651 11.287 1.00 0.00 H new ATOM 0 HG12 VAL A 41 -0.686 0.059 11.464 1.00 0.00 H new ATOM 0 HG13 VAL A 41 -1.001 1.592 10.617 1.00 0.00 H new ATOM 0 HG21 VAL A 41 -3.454 0.651 9.063 1.00 0.00 H new ATOM 0 HG22 VAL A 41 -2.100 1.581 8.378 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -2.589 0.041 7.632 1.00 0.00 H new ATOM 610 N THR A 42 1.168 -1.614 10.341 1.00 0.00 N ATOM 611 CA THR A 42 2.243 -1.829 11.354 1.00 0.00 C ATOM 612 C THR A 42 3.612 -1.892 10.671 1.00 0.00 C ATOM 613 O THR A 42 4.639 -1.930 11.319 1.00 0.00 O ATOM 614 CB THR A 42 1.912 -3.171 12.013 1.00 0.00 C ATOM 615 OG1 THR A 42 0.606 -3.581 11.629 1.00 0.00 O ATOM 616 CG2 THR A 42 1.976 -3.023 13.534 1.00 0.00 C ATOM 0 H THR A 42 0.619 -2.441 10.108 1.00 0.00 H new ATOM 0 HA THR A 42 2.287 -1.019 12.082 1.00 0.00 H new ATOM 0 HB THR A 42 2.635 -3.920 11.691 1.00 0.00 H new ATOM 0 HG1 THR A 42 0.665 -4.171 10.849 1.00 0.00 H new ATOM 0 HG21 THR A 42 1.740 -3.978 14.003 1.00 0.00 H new ATOM 0 HG22 THR A 42 2.979 -2.712 13.827 1.00 0.00 H new ATOM 0 HG23 THR A 42 1.255 -2.273 13.857 1.00 0.00 H new ATOM 624 N GLY A 43 3.635 -1.904 9.366 1.00 0.00 N ATOM 625 CA GLY A 43 4.937 -1.965 8.643 1.00 0.00 C ATOM 626 C GLY A 43 5.367 -3.424 8.475 1.00 0.00 C ATOM 627 O GLY A 43 6.440 -3.710 7.981 1.00 0.00 O ATOM 0 H GLY A 43 2.808 -1.874 8.769 1.00 0.00 H new ATOM 0 HA2 GLY A 43 4.844 -1.489 7.667 1.00 0.00 H new ATOM 0 HA3 GLY A 43 5.697 -1.413 9.196 1.00 0.00 H new ATOM 631 N ARG A 44 4.541 -4.349 8.880 1.00 0.00 N ATOM 632 CA ARG A 44 4.908 -5.788 8.741 1.00 0.00 C ATOM 633 C ARG A 44 4.827 -6.219 7.274 1.00 0.00 C ATOM 634 O ARG A 44 4.699 -5.403 6.382 1.00 0.00 O ATOM 635 CB ARG A 44 3.876 -6.543 9.579 1.00 0.00 C ATOM 636 CG ARG A 44 4.495 -7.844 10.096 1.00 0.00 C ATOM 637 CD ARG A 44 4.782 -7.713 11.593 1.00 0.00 C ATOM 638 NE ARG A 44 3.443 -7.597 12.235 1.00 0.00 N ATOM 639 CZ ARG A 44 3.324 -6.984 13.380 1.00 0.00 C ATOM 640 NH1 ARG A 44 4.179 -7.223 14.337 1.00 0.00 N ATOM 641 NH2 ARG A 44 2.354 -6.133 13.570 1.00 0.00 N ATOM 0 H ARG A 44 3.629 -4.172 9.301 1.00 0.00 H new ATOM 0 HA ARG A 44 5.927 -5.986 9.073 1.00 0.00 H new ATOM 0 HB2 ARG A 44 3.548 -5.926 10.415 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.993 -6.761 8.979 1.00 0.00 H new ATOM 0 HG2 ARG A 44 3.817 -8.678 9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 44 5.417 -8.061 9.556 1.00 0.00 H new ATOM 0 HD2 ARG A 44 5.325 -8.580 11.968 1.00 0.00 H new ATOM 0 HD3 ARG A 44 5.397 -6.837 11.802 1.00 0.00 H new ATOM 0 HE ARG A 44 2.622 -7.996 11.781 1.00 0.00 H new ATOM 0 HH11 ARG A 44 4.938 -7.888 14.188 1.00 0.00 H new ATOM 0 HH12 ARG A 44 4.088 -6.745 15.233 1.00 0.00 H new ATOM 0 HH21 ARG A 44 1.686 -5.946 12.822 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.263 -5.655 14.466 1.00 0.00 H new ATOM 655 N THR A 45 4.900 -7.497 7.019 1.00 0.00 N ATOM 656 CA THR A 45 4.825 -7.985 5.612 1.00 0.00 C ATOM 657 C THR A 45 3.454 -8.609 5.344 1.00 0.00 C ATOM 658 O THR A 45 3.002 -9.473 6.069 1.00 0.00 O ATOM 659 CB THR A 45 5.926 -9.042 5.498 1.00 0.00 C ATOM 660 OG1 THR A 45 7.055 -8.630 6.260 1.00 0.00 O ATOM 661 CG2 THR A 45 6.321 -9.211 4.029 1.00 0.00 C ATOM 0 H THR A 45 5.008 -8.225 7.725 1.00 0.00 H new ATOM 0 HA THR A 45 4.957 -7.181 4.888 1.00 0.00 H new ATOM 0 HB THR A 45 5.562 -9.995 5.881 1.00 0.00 H new ATOM 0 HG1 THR A 45 7.761 -9.306 6.190 1.00 0.00 H new ATOM 0 HG21 THR A 45 7.105 -9.964 3.947 1.00 0.00 H new ATOM 0 HG22 THR A 45 5.452 -9.528 3.453 1.00 0.00 H new ATOM 0 HG23 THR A 45 6.688 -8.261 3.639 1.00 0.00 H new ATOM 669 N CYS A 46 2.786 -8.175 4.311 1.00 0.00 N ATOM 670 CA CYS A 46 1.447 -8.736 4.002 1.00 0.00 C ATOM 671 C CYS A 46 1.560 -10.210 3.607 1.00 0.00 C ATOM 672 O CYS A 46 2.461 -10.604 2.894 1.00 0.00 O ATOM 673 CB CYS A 46 0.935 -7.908 2.826 1.00 0.00 C ATOM 674 SG CYS A 46 -0.519 -6.967 3.343 1.00 0.00 S ATOM 0 H CYS A 46 3.113 -7.454 3.668 1.00 0.00 H new ATOM 0 HA CYS A 46 0.777 -8.691 4.860 1.00 0.00 H new ATOM 0 HB2 CYS A 46 1.715 -7.231 2.477 1.00 0.00 H new ATOM 0 HB3 CYS A 46 0.681 -8.560 1.990 1.00 0.00 H new ATOM 679 N GLN A 47 0.648 -11.028 4.056 1.00 0.00 N ATOM 680 CA GLN A 47 0.703 -12.469 3.688 1.00 0.00 C ATOM 681 C GLN A 47 -0.109 -12.709 2.411 1.00 0.00 C ATOM 682 O GLN A 47 -1.218 -12.229 2.280 1.00 0.00 O ATOM 683 CB GLN A 47 0.073 -13.215 4.864 1.00 0.00 C ATOM 684 CG GLN A 47 -0.258 -14.647 4.440 1.00 0.00 C ATOM 685 CD GLN A 47 1.007 -15.323 3.908 1.00 0.00 C ATOM 686 OE1 GLN A 47 1.175 -15.469 2.713 1.00 0.00 O ATOM 687 NE2 GLN A 47 1.912 -15.740 4.750 1.00 0.00 N ATOM 0 H GLN A 47 -0.130 -10.761 4.660 1.00 0.00 H new ATOM 0 HA GLN A 47 1.722 -12.806 3.497 1.00 0.00 H new ATOM 0 HB2 GLN A 47 0.758 -13.224 5.712 1.00 0.00 H new ATOM 0 HB3 GLN A 47 -0.832 -12.703 5.191 1.00 0.00 H new ATOM 0 HG2 GLN A 47 -0.654 -15.207 5.287 1.00 0.00 H new ATOM 0 HG3 GLN A 47 -1.031 -14.641 3.672 1.00 0.00 H new ATOM 0 HE21 GLN A 47 1.771 -15.617 5.753 1.00 0.00 H new ATOM 0 HE22 GLN A 47 2.761 -16.189 4.406 1.00 0.00 H new ATOM 696 N SER A 48 0.419 -13.449 1.474 1.00 0.00 N ATOM 697 CA SER A 48 -0.346 -13.714 0.220 1.00 0.00 C ATOM 698 C SER A 48 -1.803 -14.036 0.563 1.00 0.00 C ATOM 699 O SER A 48 -2.088 -14.634 1.582 1.00 0.00 O ATOM 700 CB SER A 48 0.334 -14.926 -0.412 1.00 0.00 C ATOM 701 OG SER A 48 0.501 -14.696 -1.806 1.00 0.00 O ATOM 0 H SER A 48 1.342 -13.880 1.521 1.00 0.00 H new ATOM 0 HA SER A 48 -0.353 -12.857 -0.454 1.00 0.00 H new ATOM 0 HB2 SER A 48 1.302 -15.101 0.058 1.00 0.00 H new ATOM 0 HB3 SER A 48 -0.266 -15.821 -0.248 1.00 0.00 H new ATOM 0 HG SER A 48 0.939 -15.471 -2.215 1.00 0.00 H new ATOM 707 N TRP A 49 -2.730 -13.657 -0.275 1.00 0.00 N ATOM 708 CA TRP A 49 -4.158 -13.962 0.025 1.00 0.00 C ATOM 709 C TRP A 49 -4.364 -15.473 -0.025 1.00 0.00 C ATOM 710 O TRP A 49 -5.081 -16.046 0.771 1.00 0.00 O ATOM 711 CB TRP A 49 -4.962 -13.274 -1.078 1.00 0.00 C ATOM 712 CG TRP A 49 -4.833 -11.790 -0.950 1.00 0.00 C ATOM 713 CD1 TRP A 49 -4.059 -11.007 -1.726 1.00 0.00 C ATOM 714 CD2 TRP A 49 -5.490 -10.899 -0.008 1.00 0.00 C ATOM 715 NE1 TRP A 49 -4.200 -9.698 -1.318 1.00 0.00 N ATOM 716 CE2 TRP A 49 -5.069 -9.580 -0.263 1.00 0.00 C ATOM 717 CE3 TRP A 49 -6.397 -11.110 1.029 1.00 0.00 C ATOM 718 CZ2 TRP A 49 -5.534 -8.503 0.488 1.00 0.00 C ATOM 719 CZ3 TRP A 49 -6.875 -10.034 1.795 1.00 0.00 C ATOM 720 CH2 TRP A 49 -6.443 -8.729 1.524 1.00 0.00 C ATOM 0 H TRP A 49 -2.563 -13.154 -1.146 1.00 0.00 H new ATOM 0 HA TRP A 49 -4.465 -13.615 1.012 1.00 0.00 H new ATOM 0 HB2 TRP A 49 -4.604 -13.596 -2.056 1.00 0.00 H new ATOM 0 HB3 TRP A 49 -6.011 -13.564 -1.011 1.00 0.00 H new ATOM 0 HD1 TRP A 49 -3.431 -11.349 -2.535 1.00 0.00 H new ATOM 0 HE1 TRP A 49 -3.716 -8.911 -1.749 1.00 0.00 H new ATOM 0 HE3 TRP A 49 -6.736 -12.112 1.246 1.00 0.00 H new ATOM 0 HZ2 TRP A 49 -5.194 -7.501 0.271 1.00 0.00 H new ATOM 0 HZ3 TRP A 49 -7.578 -10.213 2.595 1.00 0.00 H new ATOM 0 HH2 TRP A 49 -6.811 -7.902 2.113 1.00 0.00 H new ATOM 731 N SER A 50 -3.723 -16.118 -0.958 1.00 0.00 N ATOM 732 CA SER A 50 -3.845 -17.597 -1.084 1.00 0.00 C ATOM 733 C SER A 50 -2.961 -18.309 -0.048 1.00 0.00 C ATOM 734 O SER A 50 -2.661 -19.479 -0.183 1.00 0.00 O ATOM 735 CB SER A 50 -3.356 -17.892 -2.498 1.00 0.00 C ATOM 736 OG SER A 50 -3.627 -19.250 -2.818 1.00 0.00 O ATOM 0 H SER A 50 -3.113 -15.679 -1.647 1.00 0.00 H new ATOM 0 HA SER A 50 -4.862 -17.947 -0.909 1.00 0.00 H new ATOM 0 HB2 SER A 50 -3.852 -17.233 -3.211 1.00 0.00 H new ATOM 0 HB3 SER A 50 -2.286 -17.696 -2.573 1.00 0.00 H new ATOM 0 HG SER A 50 -3.415 -19.816 -2.047 1.00 0.00 H new ATOM 742 N SER A 51 -2.536 -17.620 0.978 1.00 0.00 N ATOM 743 CA SER A 51 -1.673 -18.268 2.004 1.00 0.00 C ATOM 744 C SER A 51 -2.486 -19.281 2.809 1.00 0.00 C ATOM 745 O SER A 51 -3.450 -18.938 3.464 1.00 0.00 O ATOM 746 CB SER A 51 -1.198 -17.127 2.902 1.00 0.00 C ATOM 747 OG SER A 51 -2.227 -16.799 3.827 1.00 0.00 O ATOM 0 H SER A 51 -2.750 -16.637 1.148 1.00 0.00 H new ATOM 0 HA SER A 51 -0.838 -18.810 1.560 1.00 0.00 H new ATOM 0 HB2 SER A 51 -0.294 -17.420 3.435 1.00 0.00 H new ATOM 0 HB3 SER A 51 -0.944 -16.255 2.299 1.00 0.00 H new ATOM 0 HG SER A 51 -3.064 -17.226 3.550 1.00 0.00 H new ATOM 753 N MET A 52 -2.109 -20.527 2.762 1.00 0.00 N ATOM 754 CA MET A 52 -2.868 -21.557 3.522 1.00 0.00 C ATOM 755 C MET A 52 -1.983 -22.157 4.618 1.00 0.00 C ATOM 756 O MET A 52 -2.231 -23.241 5.106 1.00 0.00 O ATOM 757 CB MET A 52 -3.251 -22.623 2.489 1.00 0.00 C ATOM 758 CG MET A 52 -3.803 -21.958 1.222 1.00 0.00 C ATOM 759 SD MET A 52 -5.600 -22.044 1.228 1.00 0.00 S ATOM 760 CE MET A 52 -5.801 -20.932 2.629 1.00 0.00 C ATOM 0 H MET A 52 -1.311 -20.876 2.232 1.00 0.00 H new ATOM 0 HA MET A 52 -3.748 -21.142 4.014 1.00 0.00 H new ATOM 0 HB2 MET A 52 -2.380 -23.229 2.240 1.00 0.00 H new ATOM 0 HB3 MET A 52 -3.998 -23.296 2.910 1.00 0.00 H new ATOM 0 HG2 MET A 52 -3.479 -20.918 1.174 1.00 0.00 H new ATOM 0 HG3 MET A 52 -3.408 -22.456 0.336 1.00 0.00 H new ATOM 0 HE1 MET A 52 -6.862 -20.754 2.803 1.00 0.00 H new ATOM 0 HE2 MET A 52 -5.358 -21.382 3.517 1.00 0.00 H new ATOM 0 HE3 MET A 52 -5.305 -19.985 2.416 1.00 0.00 H new ATOM 770 N THR A 53 -0.950 -21.457 5.007 1.00 0.00 N ATOM 771 CA THR A 53 -0.050 -21.989 6.071 1.00 0.00 C ATOM 772 C THR A 53 -0.390 -21.364 7.431 1.00 0.00 C ATOM 773 O THR A 53 -0.827 -22.057 8.328 1.00 0.00 O ATOM 774 CB THR A 53 1.367 -21.613 5.630 1.00 0.00 C ATOM 775 OG1 THR A 53 1.300 -20.666 4.573 1.00 0.00 O ATOM 776 CG2 THR A 53 2.099 -22.867 5.147 1.00 0.00 C ATOM 0 H THR A 53 -0.692 -20.543 4.635 1.00 0.00 H new ATOM 0 HA THR A 53 -0.158 -23.067 6.194 1.00 0.00 H new ATOM 0 HB THR A 53 1.906 -21.178 6.472 1.00 0.00 H new ATOM 0 HG1 THR A 53 2.207 -20.424 4.292 1.00 0.00 H new ATOM 0 HG21 THR A 53 3.108 -22.601 4.833 1.00 0.00 H new ATOM 0 HG22 THR A 53 2.151 -23.593 5.958 1.00 0.00 H new ATOM 0 HG23 THR A 53 1.560 -23.302 4.305 1.00 0.00 H new ATOM 784 N PRO A 54 -0.182 -20.073 7.552 1.00 0.00 N ATOM 785 CA PRO A 54 -0.483 -19.381 8.830 1.00 0.00 C ATOM 786 C PRO A 54 -2.000 -19.229 9.010 1.00 0.00 C ATOM 787 O PRO A 54 -2.667 -20.127 9.484 1.00 0.00 O ATOM 788 CB PRO A 54 0.198 -18.024 8.676 1.00 0.00 C ATOM 789 CG PRO A 54 0.283 -17.794 7.201 1.00 0.00 C ATOM 790 CD PRO A 54 0.344 -19.148 6.536 1.00 0.00 C ATOM 0 HA PRO A 54 -0.131 -19.923 9.708 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -0.377 -17.237 9.165 1.00 0.00 H new ATOM 0 HB3 PRO A 54 1.188 -18.026 9.132 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -0.583 -17.232 6.850 1.00 0.00 H new ATOM 0 HG3 PRO A 54 1.167 -17.205 6.955 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -0.256 -19.172 5.626 1.00 0.00 H new ATOM 0 HD3 PRO A 54 1.364 -19.407 6.252 1.00 0.00 H new ATOM 798 N HIS A 55 -2.553 -18.106 8.636 1.00 0.00 N ATOM 799 CA HIS A 55 -4.031 -17.917 8.790 1.00 0.00 C ATOM 800 C HIS A 55 -4.737 -18.374 7.512 1.00 0.00 C ATOM 801 O HIS A 55 -4.729 -17.691 6.507 1.00 0.00 O ATOM 802 CB HIS A 55 -4.255 -16.412 9.018 1.00 0.00 C ATOM 803 CG HIS A 55 -3.035 -15.796 9.647 1.00 0.00 C ATOM 804 ND1 HIS A 55 -1.988 -15.309 8.885 1.00 0.00 N ATOM 805 CD2 HIS A 55 -2.669 -15.608 10.956 1.00 0.00 C ATOM 806 CE1 HIS A 55 -1.048 -14.859 9.729 1.00 0.00 C ATOM 807 NE2 HIS A 55 -1.411 -15.016 11.006 1.00 0.00 N ATOM 0 H HIS A 55 -2.052 -17.314 8.233 1.00 0.00 H new ATOM 0 HA HIS A 55 -4.430 -18.499 9.621 1.00 0.00 H new ATOM 0 HB2 HIS A 55 -4.471 -15.921 8.069 1.00 0.00 H new ATOM 0 HB3 HIS A 55 -5.122 -16.259 9.661 1.00 0.00 H new ATOM 0 HD1 HIS A 55 -1.940 -15.295 7.866 1.00 0.00 H new ATOM 0 HD2 HIS A 55 -3.265 -15.878 11.815 1.00 0.00 H new ATOM 0 HE1 HIS A 55 -0.111 -14.423 9.415 1.00 0.00 H new ATOM 815 N TRP A 56 -5.336 -19.532 7.538 1.00 0.00 N ATOM 816 CA TRP A 56 -6.027 -20.041 6.319 1.00 0.00 C ATOM 817 C TRP A 56 -7.390 -19.368 6.139 1.00 0.00 C ATOM 818 O TRP A 56 -8.158 -19.237 7.071 1.00 0.00 O ATOM 819 CB TRP A 56 -6.203 -21.540 6.562 1.00 0.00 C ATOM 820 CG TRP A 56 -6.644 -22.198 5.295 1.00 0.00 C ATOM 821 CD1 TRP A 56 -7.690 -21.808 4.541 1.00 0.00 C ATOM 822 CD2 TRP A 56 -6.057 -23.331 4.605 1.00 0.00 C ATOM 823 NE1 TRP A 56 -7.795 -22.632 3.448 1.00 0.00 N ATOM 824 CE2 TRP A 56 -6.813 -23.591 3.439 1.00 0.00 C ATOM 825 CE3 TRP A 56 -4.961 -24.149 4.876 1.00 0.00 C ATOM 826 CZ2 TRP A 56 -6.490 -24.628 2.572 1.00 0.00 C ATOM 827 CZ3 TRP A 56 -4.628 -25.191 4.006 1.00 0.00 C ATOM 828 CH2 TRP A 56 -5.388 -25.433 2.854 1.00 0.00 C ATOM 0 H TRP A 56 -5.377 -20.148 8.350 1.00 0.00 H new ATOM 0 HA TRP A 56 -5.456 -19.831 5.414 1.00 0.00 H new ATOM 0 HB2 TRP A 56 -5.265 -21.977 6.905 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.939 -21.709 7.348 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -8.344 -20.977 4.762 1.00 0.00 H new ATOM 0 HE1 TRP A 56 -8.515 -22.543 2.731 1.00 0.00 H new ATOM 0 HE3 TRP A 56 -4.367 -23.977 5.761 1.00 0.00 H new ATOM 0 HZ2 TRP A 56 -7.086 -24.808 1.690 1.00 0.00 H new ATOM 0 HZ3 TRP A 56 -3.775 -25.817 4.224 1.00 0.00 H new ATOM 0 HH2 TRP A 56 -5.121 -26.240 2.188 1.00 0.00 H new ATOM 839 N HIS A 57 -7.700 -18.958 4.937 1.00 0.00 N ATOM 840 CA HIS A 57 -9.021 -18.315 4.685 1.00 0.00 C ATOM 841 C HIS A 57 -9.658 -18.898 3.416 1.00 0.00 C ATOM 842 O HIS A 57 -9.089 -19.750 2.762 1.00 0.00 O ATOM 843 CB HIS A 57 -8.722 -16.816 4.530 1.00 0.00 C ATOM 844 CG HIS A 57 -8.368 -16.494 3.099 1.00 0.00 C ATOM 845 ND1 HIS A 57 -8.620 -15.393 2.318 1.00 0.00 N flip ATOM 846 CD2 HIS A 57 -7.669 -17.378 2.292 1.00 0.00 C flip ATOM 847 CE1 HIS A 57 -8.088 -15.588 1.048 1.00 0.00 C flip ATOM 848 NE2 HIS A 57 -7.526 -16.799 1.086 1.00 0.00 N flip ATOM 0 H HIS A 57 -7.095 -19.041 4.120 1.00 0.00 H new ATOM 0 HA HIS A 57 -9.731 -18.490 5.494 1.00 0.00 H new ATOM 0 HB2 HIS A 57 -9.590 -16.232 4.836 1.00 0.00 H new ATOM 0 HB3 HIS A 57 -7.900 -16.533 5.187 1.00 0.00 H new ATOM 0 HD2 HIS A 57 -7.305 -18.354 2.579 1.00 0.00 H new ATOM 0 HE1 HIS A 57 -8.122 -14.907 0.211 1.00 0.00 H new ATOM 0 HE2 HIS A 57 -7.047 -17.232 0.297 1.00 0.00 H new ATOM 856 N GLN A 58 -10.833 -18.451 3.067 1.00 0.00 N ATOM 857 CA GLN A 58 -11.499 -18.988 1.846 1.00 0.00 C ATOM 858 C GLN A 58 -11.937 -17.845 0.926 1.00 0.00 C ATOM 859 O GLN A 58 -12.880 -17.971 0.170 1.00 0.00 O ATOM 860 CB GLN A 58 -12.713 -19.757 2.366 1.00 0.00 C ATOM 861 CG GLN A 58 -13.208 -20.724 1.288 1.00 0.00 C ATOM 862 CD GLN A 58 -14.218 -21.697 1.899 1.00 0.00 C ATOM 863 OE1 GLN A 58 -13.847 -22.736 2.407 1.00 0.00 O ATOM 864 NE2 GLN A 58 -15.489 -21.403 1.869 1.00 0.00 N ATOM 0 H GLN A 58 -11.360 -17.739 3.573 1.00 0.00 H new ATOM 0 HA GLN A 58 -10.834 -19.622 1.260 1.00 0.00 H new ATOM 0 HB2 GLN A 58 -12.448 -20.307 3.269 1.00 0.00 H new ATOM 0 HB3 GLN A 58 -13.507 -19.062 2.638 1.00 0.00 H new ATOM 0 HG2 GLN A 58 -13.670 -20.169 0.471 1.00 0.00 H new ATOM 0 HG3 GLN A 58 -12.368 -21.274 0.864 1.00 0.00 H new ATOM 0 HE21 GLN A 58 -15.801 -20.530 1.442 1.00 0.00 H new ATOM 0 HE22 GLN A 58 -16.171 -22.046 2.272 1.00 0.00 H new ATOM 873 N ARG A 59 -11.256 -16.733 0.979 1.00 0.00 N ATOM 874 CA ARG A 59 -11.631 -15.586 0.101 1.00 0.00 C ATOM 875 C ARG A 59 -10.428 -15.164 -0.747 1.00 0.00 C ATOM 876 O ARG A 59 -10.270 -14.010 -1.093 1.00 0.00 O ATOM 877 CB ARG A 59 -12.036 -14.464 1.060 1.00 0.00 C ATOM 878 CG ARG A 59 -13.511 -14.624 1.439 1.00 0.00 C ATOM 879 CD ARG A 59 -14.182 -13.248 1.475 1.00 0.00 C ATOM 880 NE ARG A 59 -14.353 -12.942 2.923 1.00 0.00 N ATOM 881 CZ ARG A 59 -14.734 -11.751 3.299 1.00 0.00 C ATOM 882 NH1 ARG A 59 -14.445 -10.711 2.566 1.00 0.00 N ATOM 883 NH2 ARG A 59 -15.403 -11.601 4.409 1.00 0.00 N ATOM 0 H ARG A 59 -10.457 -16.568 1.591 1.00 0.00 H new ATOM 0 HA ARG A 59 -12.437 -15.837 -0.589 1.00 0.00 H new ATOM 0 HB2 ARG A 59 -11.414 -14.494 1.955 1.00 0.00 H new ATOM 0 HB3 ARG A 59 -11.873 -13.494 0.591 1.00 0.00 H new ATOM 0 HG2 ARG A 59 -14.015 -15.267 0.718 1.00 0.00 H new ATOM 0 HG3 ARG A 59 -13.597 -15.108 2.412 1.00 0.00 H new ATOM 0 HD2 ARG A 59 -13.566 -12.495 0.982 1.00 0.00 H new ATOM 0 HD3 ARG A 59 -15.142 -13.263 0.958 1.00 0.00 H new ATOM 0 HE ARG A 59 -14.172 -13.663 3.621 1.00 0.00 H new ATOM 0 HH11 ARG A 59 -13.921 -10.828 1.699 1.00 0.00 H new ATOM 0 HH12 ARG A 59 -14.743 -9.781 2.860 1.00 0.00 H new ATOM 0 HH21 ARG A 59 -15.628 -12.414 4.983 1.00 0.00 H new ATOM 0 HH22 ARG A 59 -15.701 -10.671 4.703 1.00 0.00 H new ATOM 897 N THR A 60 -9.579 -16.097 -1.084 1.00 0.00 N ATOM 898 CA THR A 60 -8.382 -15.762 -1.911 1.00 0.00 C ATOM 899 C THR A 60 -8.782 -14.961 -3.136 1.00 0.00 C ATOM 900 O THR A 60 -9.941 -14.676 -3.365 1.00 0.00 O ATOM 901 CB THR A 60 -7.825 -17.105 -2.375 1.00 0.00 C ATOM 902 OG1 THR A 60 -6.772 -16.883 -3.303 1.00 0.00 O ATOM 903 CG2 THR A 60 -8.938 -17.907 -3.052 1.00 0.00 C ATOM 0 H THR A 60 -9.662 -17.079 -0.822 1.00 0.00 H new ATOM 0 HA THR A 60 -7.665 -15.172 -1.340 1.00 0.00 H new ATOM 0 HB THR A 60 -7.444 -17.660 -1.517 1.00 0.00 H new ATOM 0 HG1 THR A 60 -6.412 -17.744 -3.601 1.00 0.00 H new ATOM 0 HG21 THR A 60 -8.544 -18.867 -3.385 1.00 0.00 H new ATOM 0 HG22 THR A 60 -9.749 -18.074 -2.343 1.00 0.00 H new ATOM 0 HG23 THR A 60 -9.315 -17.352 -3.911 1.00 0.00 H new ATOM 911 N THR A 61 -7.825 -14.636 -3.949 1.00 0.00 N ATOM 912 CA THR A 61 -8.133 -13.900 -5.192 1.00 0.00 C ATOM 913 C THR A 61 -8.727 -14.883 -6.193 1.00 0.00 C ATOM 914 O THR A 61 -9.277 -14.499 -7.207 1.00 0.00 O ATOM 915 CB THR A 61 -6.795 -13.355 -5.684 1.00 0.00 C ATOM 916 OG1 THR A 61 -5.739 -14.149 -5.162 1.00 0.00 O ATOM 917 CG2 THR A 61 -6.642 -11.915 -5.208 1.00 0.00 C ATOM 0 H THR A 61 -6.838 -14.850 -3.803 1.00 0.00 H new ATOM 0 HA THR A 61 -8.849 -13.090 -5.050 1.00 0.00 H new ATOM 0 HB THR A 61 -6.759 -13.386 -6.773 1.00 0.00 H new ATOM 0 HG1 THR A 61 -4.880 -13.800 -5.479 1.00 0.00 H new ATOM 0 HG21 THR A 61 -5.689 -11.517 -5.555 1.00 0.00 H new ATOM 0 HG22 THR A 61 -7.455 -11.311 -5.610 1.00 0.00 H new ATOM 0 HG23 THR A 61 -6.673 -11.887 -4.119 1.00 0.00 H new ATOM 925 N GLU A 62 -8.633 -16.159 -5.908 1.00 0.00 N ATOM 926 CA GLU A 62 -9.206 -17.153 -6.836 1.00 0.00 C ATOM 927 C GLU A 62 -10.705 -16.934 -6.885 1.00 0.00 C ATOM 928 O GLU A 62 -11.366 -17.231 -7.860 1.00 0.00 O ATOM 929 CB GLU A 62 -8.865 -18.519 -6.238 1.00 0.00 C ATOM 930 CG GLU A 62 -8.832 -19.569 -7.350 1.00 0.00 C ATOM 931 CD GLU A 62 -8.100 -20.816 -6.854 1.00 0.00 C ATOM 932 OE1 GLU A 62 -6.889 -20.752 -6.717 1.00 0.00 O ATOM 933 OE2 GLU A 62 -8.761 -21.814 -6.620 1.00 0.00 O ATOM 0 H GLU A 62 -8.185 -16.543 -5.076 1.00 0.00 H new ATOM 0 HA GLU A 62 -8.818 -17.076 -7.852 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -7.899 -18.477 -5.735 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -9.605 -18.793 -5.486 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -9.847 -19.826 -7.652 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -8.331 -19.166 -8.230 1.00 0.00 H new ATOM 940 N TYR A 63 -11.238 -16.382 -5.834 1.00 0.00 N ATOM 941 CA TYR A 63 -12.687 -16.101 -5.809 1.00 0.00 C ATOM 942 C TYR A 63 -12.939 -14.745 -6.469 1.00 0.00 C ATOM 943 O TYR A 63 -14.065 -14.357 -6.709 1.00 0.00 O ATOM 944 CB TYR A 63 -13.069 -16.067 -4.329 1.00 0.00 C ATOM 945 CG TYR A 63 -13.695 -17.385 -3.941 1.00 0.00 C ATOM 946 CD1 TYR A 63 -14.904 -17.784 -4.524 1.00 0.00 C ATOM 947 CD2 TYR A 63 -13.065 -18.210 -3.000 1.00 0.00 C ATOM 948 CE1 TYR A 63 -15.483 -19.008 -4.166 1.00 0.00 C ATOM 949 CE2 TYR A 63 -13.645 -19.433 -2.643 1.00 0.00 C ATOM 950 CZ TYR A 63 -14.854 -19.832 -3.226 1.00 0.00 C ATOM 951 OH TYR A 63 -15.424 -21.039 -2.873 1.00 0.00 O ATOM 0 H TYR A 63 -10.727 -16.115 -4.992 1.00 0.00 H new ATOM 0 HA TYR A 63 -13.274 -16.845 -6.347 1.00 0.00 H new ATOM 0 HB2 TYR A 63 -12.186 -15.878 -3.719 1.00 0.00 H new ATOM 0 HB3 TYR A 63 -13.767 -15.251 -4.141 1.00 0.00 H new ATOM 0 HD1 TYR A 63 -15.390 -17.148 -5.249 1.00 0.00 H new ATOM 0 HD2 TYR A 63 -12.132 -17.903 -2.550 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -16.415 -19.316 -4.616 1.00 0.00 H new ATOM 0 HE2 TYR A 63 -13.160 -20.069 -1.918 1.00 0.00 H new ATOM 0 HH TYR A 63 -14.858 -21.487 -2.210 1.00 0.00 H new ATOM 961 N TYR A 64 -11.889 -14.019 -6.767 1.00 0.00 N ATOM 962 CA TYR A 64 -12.064 -12.688 -7.414 1.00 0.00 C ATOM 963 C TYR A 64 -11.112 -12.555 -8.606 1.00 0.00 C ATOM 964 O TYR A 64 -9.926 -12.354 -8.435 1.00 0.00 O ATOM 965 CB TYR A 64 -11.708 -11.673 -6.328 1.00 0.00 C ATOM 966 CG TYR A 64 -12.798 -11.643 -5.284 1.00 0.00 C ATOM 967 CD1 TYR A 64 -13.924 -10.832 -5.470 1.00 0.00 C ATOM 968 CD2 TYR A 64 -12.681 -12.422 -4.127 1.00 0.00 C ATOM 969 CE1 TYR A 64 -14.933 -10.801 -4.500 1.00 0.00 C ATOM 970 CE2 TYR A 64 -13.690 -12.391 -3.156 1.00 0.00 C ATOM 971 CZ TYR A 64 -14.816 -11.580 -3.343 1.00 0.00 C ATOM 972 OH TYR A 64 -15.809 -11.547 -2.385 1.00 0.00 O ATOM 0 H TYR A 64 -10.922 -14.292 -6.590 1.00 0.00 H new ATOM 0 HA TYR A 64 -13.075 -12.540 -7.795 1.00 0.00 H new ATOM 0 HB2 TYR A 64 -10.756 -11.938 -5.867 1.00 0.00 H new ATOM 0 HB3 TYR A 64 -11.585 -10.683 -6.768 1.00 0.00 H new ATOM 0 HD1 TYR A 64 -14.014 -10.230 -6.362 1.00 0.00 H new ATOM 0 HD2 TYR A 64 -11.812 -13.047 -3.983 1.00 0.00 H new ATOM 0 HE1 TYR A 64 -15.802 -10.176 -4.644 1.00 0.00 H new ATOM 0 HE2 TYR A 64 -13.600 -12.992 -2.263 1.00 0.00 H new ATOM 0 HH TYR A 64 -15.572 -12.147 -1.647 1.00 0.00 H new ATOM 982 N PRO A 65 -11.669 -12.676 -9.780 1.00 0.00 N ATOM 983 CA PRO A 65 -10.863 -12.572 -11.022 1.00 0.00 C ATOM 984 C PRO A 65 -10.441 -11.121 -11.269 1.00 0.00 C ATOM 985 O PRO A 65 -9.564 -10.848 -12.064 1.00 0.00 O ATOM 986 CB PRO A 65 -11.820 -13.054 -12.110 1.00 0.00 C ATOM 987 CG PRO A 65 -13.188 -12.806 -11.560 1.00 0.00 C ATOM 988 CD PRO A 65 -13.088 -12.918 -10.060 1.00 0.00 C ATOM 0 HA PRO A 65 -9.941 -13.152 -10.984 1.00 0.00 H new ATOM 0 HB2 PRO A 65 -11.665 -12.510 -13.042 1.00 0.00 H new ATOM 0 HB3 PRO A 65 -11.668 -14.111 -12.329 1.00 0.00 H new ATOM 0 HG2 PRO A 65 -13.547 -11.818 -11.850 1.00 0.00 H new ATOM 0 HG3 PRO A 65 -13.899 -13.532 -11.954 1.00 0.00 H new ATOM 0 HD2 PRO A 65 -13.724 -12.186 -9.562 1.00 0.00 H new ATOM 0 HD3 PRO A 65 -13.401 -13.902 -9.711 1.00 0.00 H new ATOM 996 N ASN A 66 -11.056 -10.189 -10.593 1.00 0.00 N ATOM 997 CA ASN A 66 -10.686 -8.758 -10.791 1.00 0.00 C ATOM 998 C ASN A 66 -10.400 -8.093 -9.441 1.00 0.00 C ATOM 999 O ASN A 66 -10.776 -6.962 -9.203 1.00 0.00 O ATOM 1000 CB ASN A 66 -11.907 -8.122 -11.458 1.00 0.00 C ATOM 1001 CG ASN A 66 -11.715 -8.125 -12.976 1.00 0.00 C ATOM 1002 OD1 ASN A 66 -10.914 -7.376 -13.501 1.00 0.00 O ATOM 1003 ND2 ASN A 66 -12.421 -8.942 -13.710 1.00 0.00 N ATOM 0 H ASN A 66 -11.798 -10.356 -9.913 1.00 0.00 H new ATOM 0 HA ASN A 66 -9.787 -8.643 -11.396 1.00 0.00 H new ATOM 0 HB2 ASN A 66 -12.809 -8.674 -11.193 1.00 0.00 H new ATOM 0 HB3 ASN A 66 -12.041 -7.102 -11.099 1.00 0.00 H new ATOM 0 HD21 ASN A 66 -12.300 -8.951 -14.723 1.00 0.00 H new ATOM 0 HD22 ASN A 66 -13.093 -9.571 -13.271 1.00 0.00 H new ATOM 1010 N GLY A 67 -9.733 -8.786 -8.558 1.00 0.00 N ATOM 1011 CA GLY A 67 -9.419 -8.194 -7.227 1.00 0.00 C ATOM 1012 C GLY A 67 -8.309 -7.156 -7.379 1.00 0.00 C ATOM 1013 O GLY A 67 -8.398 -6.056 -6.872 1.00 0.00 O ATOM 0 H GLY A 67 -9.392 -9.737 -8.701 1.00 0.00 H new ATOM 0 HA2 GLY A 67 -10.310 -7.730 -6.805 1.00 0.00 H new ATOM 0 HA3 GLY A 67 -9.108 -8.976 -6.534 1.00 0.00 H new ATOM 1017 N GLY A 68 -7.256 -7.502 -8.067 1.00 0.00 N ATOM 1018 CA GLY A 68 -6.132 -6.542 -8.243 1.00 0.00 C ATOM 1019 C GLY A 68 -5.131 -6.737 -7.105 1.00 0.00 C ATOM 1020 O GLY A 68 -4.091 -6.110 -7.064 1.00 0.00 O ATOM 0 H GLY A 68 -7.126 -8.409 -8.515 1.00 0.00 H new ATOM 0 HA2 GLY A 68 -5.645 -6.704 -9.205 1.00 0.00 H new ATOM 0 HA3 GLY A 68 -6.507 -5.519 -8.244 1.00 0.00 H new ATOM 1024 N LEU A 69 -5.439 -7.605 -6.179 1.00 0.00 N ATOM 1025 CA LEU A 69 -4.511 -7.845 -5.043 1.00 0.00 C ATOM 1026 C LEU A 69 -3.871 -9.224 -5.180 1.00 0.00 C ATOM 1027 O LEU A 69 -4.209 -10.157 -4.478 1.00 0.00 O ATOM 1028 CB LEU A 69 -5.387 -7.775 -3.797 1.00 0.00 C ATOM 1029 CG LEU A 69 -6.601 -8.681 -3.968 1.00 0.00 C ATOM 1030 CD1 LEU A 69 -6.833 -9.461 -2.673 1.00 0.00 C ATOM 1031 CD2 LEU A 69 -7.827 -7.819 -4.273 1.00 0.00 C ATOM 0 H LEU A 69 -6.296 -8.158 -6.163 1.00 0.00 H new ATOM 0 HA LEU A 69 -3.698 -7.120 -5.005 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -4.814 -8.080 -2.921 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -5.709 -6.748 -3.625 1.00 0.00 H new ATOM 0 HG LEU A 69 -6.432 -9.380 -4.787 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -7.700 -10.111 -2.790 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -5.954 -10.066 -2.450 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -7.010 -8.763 -1.855 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -8.700 -8.459 -4.397 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -7.999 -7.126 -3.449 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -7.657 -7.256 -5.191 1.00 0.00 H new ATOM 1043 N THR A 70 -2.953 -9.353 -6.090 1.00 0.00 N ATOM 1044 CA THR A 70 -2.279 -10.668 -6.301 1.00 0.00 C ATOM 1045 C THR A 70 -1.225 -10.908 -5.216 1.00 0.00 C ATOM 1046 O THR A 70 -0.710 -9.981 -4.623 1.00 0.00 O ATOM 1047 CB THR A 70 -1.618 -10.557 -7.676 1.00 0.00 C ATOM 1048 OG1 THR A 70 -2.609 -10.648 -8.692 1.00 0.00 O ATOM 1049 CG2 THR A 70 -0.604 -11.688 -7.846 1.00 0.00 C ATOM 0 H THR A 70 -2.635 -8.602 -6.703 1.00 0.00 H new ATOM 0 HA THR A 70 -2.979 -11.502 -6.250 1.00 0.00 H new ATOM 0 HB THR A 70 -1.108 -9.597 -7.756 1.00 0.00 H new ATOM 0 HG1 THR A 70 -2.183 -10.575 -9.572 1.00 0.00 H new ATOM 0 HG21 THR A 70 -0.132 -11.610 -8.826 1.00 0.00 H new ATOM 0 HG22 THR A 70 0.158 -11.614 -7.070 1.00 0.00 H new ATOM 0 HG23 THR A 70 -1.113 -12.648 -7.764 1.00 0.00 H new ATOM 1057 N ARG A 71 -0.898 -12.144 -4.954 1.00 0.00 N ATOM 1058 CA ARG A 71 0.124 -12.434 -3.908 1.00 0.00 C ATOM 1059 C ARG A 71 -0.280 -11.773 -2.586 1.00 0.00 C ATOM 1060 O ARG A 71 -1.434 -11.765 -2.214 1.00 0.00 O ATOM 1061 CB ARG A 71 1.418 -11.823 -4.448 1.00 0.00 C ATOM 1062 CG ARG A 71 2.600 -12.725 -4.090 1.00 0.00 C ATOM 1063 CD ARG A 71 3.910 -12.005 -4.418 1.00 0.00 C ATOM 1064 NE ARG A 71 4.908 -12.567 -3.466 1.00 0.00 N ATOM 1065 CZ ARG A 71 6.103 -12.882 -3.885 1.00 0.00 C ATOM 1066 NH1 ARG A 71 6.258 -13.845 -4.752 1.00 0.00 N ATOM 1067 NH2 ARG A 71 7.143 -12.234 -3.438 1.00 0.00 N ATOM 0 H ARG A 71 -1.292 -12.963 -5.417 1.00 0.00 H new ATOM 0 HA ARG A 71 0.231 -13.500 -3.708 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.352 -11.705 -5.530 1.00 0.00 H new ATOM 0 HB3 ARG A 71 1.566 -10.829 -4.027 1.00 0.00 H new ATOM 0 HG2 ARG A 71 2.568 -12.980 -3.031 1.00 0.00 H new ATOM 0 HG3 ARG A 71 2.538 -13.661 -4.645 1.00 0.00 H new ATOM 0 HD2 ARG A 71 4.208 -12.180 -5.452 1.00 0.00 H new ATOM 0 HD3 ARG A 71 3.810 -10.927 -4.294 1.00 0.00 H new ATOM 0 HE ARG A 71 4.658 -12.706 -2.487 1.00 0.00 H new ATOM 0 HH11 ARG A 71 5.445 -14.352 -5.102 1.00 0.00 H new ATOM 0 HH12 ARG A 71 7.192 -14.091 -5.079 1.00 0.00 H new ATOM 0 HH21 ARG A 71 7.022 -11.481 -2.761 1.00 0.00 H new ATOM 0 HH22 ARG A 71 8.077 -12.480 -3.766 1.00 0.00 H new ATOM 1081 N ASN A 72 0.659 -11.216 -1.875 1.00 0.00 N ATOM 1082 CA ASN A 72 0.320 -10.554 -0.581 1.00 0.00 C ATOM 1083 C ASN A 72 -0.132 -9.116 -0.831 1.00 0.00 C ATOM 1084 O ASN A 72 -0.214 -8.315 0.079 1.00 0.00 O ATOM 1085 CB ASN A 72 1.622 -10.559 0.212 1.00 0.00 C ATOM 1086 CG ASN A 72 2.695 -9.830 -0.594 1.00 0.00 C ATOM 1087 OD1 ASN A 72 2.605 -8.538 -0.755 1.00 0.00 O flip ATOM 1088 ND2 ASN A 72 3.624 -10.441 -1.083 1.00 0.00 N flip ATOM 0 H ASN A 72 1.646 -11.189 -2.132 1.00 0.00 H new ATOM 0 HA ASN A 72 -0.488 -11.063 -0.056 1.00 0.00 H new ATOM 0 HB2 ASN A 72 1.478 -10.071 1.176 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.935 -11.583 0.417 1.00 0.00 H new ATOM 0 HD21 ASN A 72 3.693 -11.451 -0.956 1.00 0.00 H new ATOM 0 HD22 ASN A 72 4.335 -9.944 -1.620 1.00 0.00 H new ATOM 1095 N TYR A 73 -0.415 -8.777 -2.057 1.00 0.00 N ATOM 1096 CA TYR A 73 -0.849 -7.384 -2.357 1.00 0.00 C ATOM 1097 C TYR A 73 -1.943 -6.957 -1.379 1.00 0.00 C ATOM 1098 O TYR A 73 -2.840 -7.710 -1.057 1.00 0.00 O ATOM 1099 CB TYR A 73 -1.400 -7.433 -3.785 1.00 0.00 C ATOM 1100 CG TYR A 73 -0.278 -7.264 -4.787 1.00 0.00 C ATOM 1101 CD1 TYR A 73 1.058 -7.370 -4.378 1.00 0.00 C ATOM 1102 CD2 TYR A 73 -0.580 -7.001 -6.129 1.00 0.00 C ATOM 1103 CE1 TYR A 73 2.090 -7.212 -5.312 1.00 0.00 C ATOM 1104 CE2 TYR A 73 0.452 -6.843 -7.061 1.00 0.00 C ATOM 1105 CZ TYR A 73 1.786 -6.949 -6.653 1.00 0.00 C ATOM 1106 OH TYR A 73 2.804 -6.794 -7.572 1.00 0.00 O ATOM 0 H TYR A 73 -0.365 -9.401 -2.862 1.00 0.00 H new ATOM 0 HA TYR A 73 -0.033 -6.668 -2.262 1.00 0.00 H new ATOM 0 HB2 TYR A 73 -1.908 -8.383 -3.954 1.00 0.00 H new ATOM 0 HB3 TYR A 73 -2.142 -6.646 -3.923 1.00 0.00 H new ATOM 0 HD1 TYR A 73 1.292 -7.573 -3.343 1.00 0.00 H new ATOM 0 HD2 TYR A 73 -1.610 -6.920 -6.445 1.00 0.00 H new ATOM 0 HE1 TYR A 73 3.120 -7.293 -4.998 1.00 0.00 H new ATOM 0 HE2 TYR A 73 0.219 -6.639 -8.096 1.00 0.00 H new ATOM 0 HH TYR A 73 2.422 -6.618 -8.457 1.00 0.00 H new ATOM 1116 N CYS A 74 -1.871 -5.750 -0.913 1.00 0.00 N ATOM 1117 CA CYS A 74 -2.895 -5.243 0.041 1.00 0.00 C ATOM 1118 C CYS A 74 -4.009 -4.535 -0.728 1.00 0.00 C ATOM 1119 O CYS A 74 -3.760 -3.805 -1.667 1.00 0.00 O ATOM 1120 CB CYS A 74 -2.135 -4.260 0.928 1.00 0.00 C ATOM 1121 SG CYS A 74 -3.235 -3.593 2.197 1.00 0.00 S ATOM 0 H CYS A 74 -1.139 -5.081 -1.153 1.00 0.00 H new ATOM 0 HA CYS A 74 -3.367 -6.035 0.623 1.00 0.00 H new ATOM 0 HB2 CYS A 74 -1.288 -4.761 1.396 1.00 0.00 H new ATOM 0 HB3 CYS A 74 -1.731 -3.449 0.322 1.00 0.00 H new ATOM 1126 N ARG A 75 -5.234 -4.751 -0.347 1.00 0.00 N ATOM 1127 CA ARG A 75 -6.359 -4.096 -1.069 1.00 0.00 C ATOM 1128 C ARG A 75 -7.560 -3.929 -0.137 1.00 0.00 C ATOM 1129 O ARG A 75 -7.478 -4.178 1.049 1.00 0.00 O ATOM 1130 CB ARG A 75 -6.692 -5.056 -2.212 1.00 0.00 C ATOM 1131 CG ARG A 75 -6.262 -4.437 -3.547 1.00 0.00 C ATOM 1132 CD ARG A 75 -7.433 -4.486 -4.532 1.00 0.00 C ATOM 1133 NE ARG A 75 -6.809 -4.316 -5.874 1.00 0.00 N ATOM 1134 CZ ARG A 75 -7.344 -3.504 -6.745 1.00 0.00 C ATOM 1135 NH1 ARG A 75 -8.602 -3.170 -6.639 1.00 0.00 N ATOM 1136 NH2 ARG A 75 -6.623 -3.025 -7.721 1.00 0.00 N ATOM 0 H ARG A 75 -5.506 -5.351 0.431 1.00 0.00 H new ATOM 0 HA ARG A 75 -6.102 -3.100 -1.430 1.00 0.00 H new ATOM 0 HB2 ARG A 75 -6.183 -6.008 -2.061 1.00 0.00 H new ATOM 0 HB3 ARG A 75 -7.762 -5.265 -2.225 1.00 0.00 H new ATOM 0 HG2 ARG A 75 -5.943 -3.406 -3.396 1.00 0.00 H new ATOM 0 HG3 ARG A 75 -5.408 -4.979 -3.953 1.00 0.00 H new ATOM 0 HD2 ARG A 75 -7.969 -5.432 -4.462 1.00 0.00 H new ATOM 0 HD3 ARG A 75 -8.155 -3.695 -4.328 1.00 0.00 H new ATOM 0 HE ARG A 75 -5.963 -4.834 -6.112 1.00 0.00 H new ATOM 0 HH11 ARG A 75 -9.166 -3.544 -5.876 1.00 0.00 H new ATOM 0 HH12 ARG A 75 -9.020 -2.536 -7.319 1.00 0.00 H new ATOM 0 HH21 ARG A 75 -5.640 -3.285 -7.804 1.00 0.00 H new ATOM 0 HH22 ARG A 75 -7.042 -2.391 -8.401 1.00 0.00 H new ATOM 1150 N ASN A 76 -8.675 -3.509 -0.665 1.00 0.00 N ATOM 1151 CA ASN A 76 -9.882 -3.325 0.188 1.00 0.00 C ATOM 1152 C ASN A 76 -11.079 -4.040 -0.444 1.00 0.00 C ATOM 1153 O ASN A 76 -11.788 -3.475 -1.252 1.00 0.00 O ATOM 1154 CB ASN A 76 -10.107 -1.815 0.225 1.00 0.00 C ATOM 1155 CG ASN A 76 -10.691 -1.417 1.580 1.00 0.00 C ATOM 1156 OD1 ASN A 76 -10.832 -2.242 2.460 1.00 0.00 O ATOM 1157 ND2 ASN A 76 -11.038 -0.177 1.786 1.00 0.00 N ATOM 0 H ASN A 76 -8.803 -3.285 -1.652 1.00 0.00 H new ATOM 0 HA ASN A 76 -9.758 -3.739 1.189 1.00 0.00 H new ATOM 0 HB2 ASN A 76 -9.165 -1.293 0.056 1.00 0.00 H new ATOM 0 HB3 ASN A 76 -10.784 -1.518 -0.576 1.00 0.00 H new ATOM 0 HD21 ASN A 76 -11.428 0.101 2.687 1.00 0.00 H new ATOM 0 HD22 ASN A 76 -10.919 0.515 1.046 1.00 0.00 H new ATOM 1164 N PRO A 77 -11.252 -5.272 -0.053 1.00 0.00 N ATOM 1165 CA PRO A 77 -12.365 -6.096 -0.585 1.00 0.00 C ATOM 1166 C PRO A 77 -13.705 -5.670 0.026 1.00 0.00 C ATOM 1167 O PRO A 77 -14.729 -6.274 -0.227 1.00 0.00 O ATOM 1168 CB PRO A 77 -12.000 -7.510 -0.145 1.00 0.00 C ATOM 1169 CG PRO A 77 -11.131 -7.333 1.059 1.00 0.00 C ATOM 1170 CD PRO A 77 -10.430 -6.007 0.913 1.00 0.00 C ATOM 0 HA PRO A 77 -12.484 -5.999 -1.664 1.00 0.00 H new ATOM 0 HB2 PRO A 77 -12.891 -8.090 0.094 1.00 0.00 H new ATOM 0 HB3 PRO A 77 -11.474 -8.045 -0.935 1.00 0.00 H new ATOM 0 HG2 PRO A 77 -11.728 -7.354 1.971 1.00 0.00 H new ATOM 0 HG3 PRO A 77 -10.407 -8.145 1.133 1.00 0.00 H new ATOM 0 HD2 PRO A 77 -10.369 -5.481 1.866 1.00 0.00 H new ATOM 0 HD3 PRO A 77 -9.409 -6.133 0.553 1.00 0.00 H new ATOM 1178 N ASP A 78 -13.713 -4.642 0.831 1.00 0.00 N ATOM 1179 CA ASP A 78 -14.997 -4.199 1.452 1.00 0.00 C ATOM 1180 C ASP A 78 -15.137 -2.675 1.379 1.00 0.00 C ATOM 1181 O ASP A 78 -16.009 -2.094 1.993 1.00 0.00 O ATOM 1182 CB ASP A 78 -14.911 -4.661 2.906 1.00 0.00 C ATOM 1183 CG ASP A 78 -16.165 -4.214 3.659 1.00 0.00 C ATOM 1184 OD1 ASP A 78 -16.152 -3.116 4.192 1.00 0.00 O ATOM 1185 OD2 ASP A 78 -17.117 -4.977 3.691 1.00 0.00 O ATOM 0 H ASP A 78 -12.892 -4.092 1.085 1.00 0.00 H new ATOM 0 HA ASP A 78 -15.864 -4.615 0.939 1.00 0.00 H new ATOM 0 HB2 ASP A 78 -14.816 -5.746 2.949 1.00 0.00 H new ATOM 0 HB3 ASP A 78 -14.022 -4.244 3.379 1.00 0.00 H new ATOM 1190 N ALA A 79 -14.290 -2.024 0.630 1.00 0.00 N ATOM 1191 CA ALA A 79 -14.384 -0.539 0.516 1.00 0.00 C ATOM 1192 C ALA A 79 -14.308 0.112 1.900 1.00 0.00 C ATOM 1193 O ALA A 79 -14.936 1.119 2.157 1.00 0.00 O ATOM 1194 CB ALA A 79 -15.747 -0.277 -0.124 1.00 0.00 C ATOM 0 H ALA A 79 -13.538 -2.454 0.092 1.00 0.00 H new ATOM 0 HA ALA A 79 -13.567 -0.121 -0.073 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -15.893 0.797 -0.242 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -15.789 -0.759 -1.101 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -16.532 -0.682 0.514 1.00 0.00 H new ATOM 1200 N GLU A 80 -13.538 -0.450 2.791 1.00 0.00 N ATOM 1201 CA GLU A 80 -13.418 0.144 4.154 1.00 0.00 C ATOM 1202 C GLU A 80 -12.645 1.462 4.081 1.00 0.00 C ATOM 1203 O GLU A 80 -12.198 1.870 3.027 1.00 0.00 O ATOM 1204 CB GLU A 80 -12.636 -0.891 4.965 1.00 0.00 C ATOM 1205 CG GLU A 80 -13.417 -1.252 6.230 1.00 0.00 C ATOM 1206 CD GLU A 80 -13.264 -2.747 6.513 1.00 0.00 C ATOM 1207 OE1 GLU A 80 -13.131 -3.499 5.561 1.00 0.00 O ATOM 1208 OE2 GLU A 80 -13.282 -3.115 7.676 1.00 0.00 O ATOM 0 H GLU A 80 -12.987 -1.294 2.635 1.00 0.00 H new ATOM 0 HA GLU A 80 -14.387 0.365 4.601 1.00 0.00 H new ATOM 0 HB2 GLU A 80 -12.465 -1.784 4.364 1.00 0.00 H new ATOM 0 HB3 GLU A 80 -11.657 -0.494 5.232 1.00 0.00 H new ATOM 0 HG2 GLU A 80 -13.049 -0.671 7.076 1.00 0.00 H new ATOM 0 HG3 GLU A 80 -14.470 -1.000 6.105 1.00 0.00 H new ATOM 1215 N ILE A 81 -12.476 2.126 5.193 1.00 0.00 N ATOM 1216 CA ILE A 81 -11.718 3.412 5.188 1.00 0.00 C ATOM 1217 C ILE A 81 -10.484 3.271 4.301 1.00 0.00 C ATOM 1218 O ILE A 81 -10.150 4.146 3.526 1.00 0.00 O ATOM 1219 CB ILE A 81 -11.315 3.624 6.648 1.00 0.00 C ATOM 1220 CG1 ILE A 81 -10.610 4.979 6.809 1.00 0.00 C ATOM 1221 CG2 ILE A 81 -10.380 2.500 7.094 1.00 0.00 C ATOM 1222 CD1 ILE A 81 -9.215 4.930 6.172 1.00 0.00 C ATOM 0 H ILE A 81 -12.830 1.834 6.104 1.00 0.00 H new ATOM 0 HA ILE A 81 -12.298 4.250 4.801 1.00 0.00 H new ATOM 0 HB ILE A 81 -12.212 3.615 7.268 1.00 0.00 H new ATOM 0 HG12 ILE A 81 -11.204 5.764 6.341 1.00 0.00 H new ATOM 0 HG13 ILE A 81 -10.526 5.230 7.866 1.00 0.00 H new ATOM 0 HG21 ILE A 81 -10.095 2.655 8.135 1.00 0.00 H new ATOM 0 HG22 ILE A 81 -10.890 1.542 6.996 1.00 0.00 H new ATOM 0 HG23 ILE A 81 -9.487 2.501 6.470 1.00 0.00 H new ATOM 0 HD11 ILE A 81 -8.726 5.896 6.293 1.00 0.00 H new ATOM 0 HD12 ILE A 81 -8.619 4.158 6.659 1.00 0.00 H new ATOM 0 HD13 ILE A 81 -9.308 4.700 5.110 1.00 0.00 H new ATOM 1234 N SER A 82 -9.814 2.162 4.410 1.00 0.00 N ATOM 1235 CA SER A 82 -8.601 1.926 3.578 1.00 0.00 C ATOM 1236 C SER A 82 -8.426 0.423 3.343 1.00 0.00 C ATOM 1237 O SER A 82 -9.070 -0.382 3.986 1.00 0.00 O ATOM 1238 CB SER A 82 -7.443 2.491 4.398 1.00 0.00 C ATOM 1239 OG SER A 82 -7.558 2.046 5.743 1.00 0.00 O ATOM 0 H SER A 82 -10.055 1.401 5.045 1.00 0.00 H new ATOM 0 HA SER A 82 -8.662 2.398 2.597 1.00 0.00 H new ATOM 0 HB2 SER A 82 -6.492 2.167 3.976 1.00 0.00 H new ATOM 0 HB3 SER A 82 -7.454 3.580 4.361 1.00 0.00 H new ATOM 0 HG SER A 82 -7.509 1.068 5.769 1.00 0.00 H new ATOM 1245 N PRO A 83 -7.567 0.094 2.419 1.00 0.00 N ATOM 1246 CA PRO A 83 -7.318 -1.329 2.089 1.00 0.00 C ATOM 1247 C PRO A 83 -6.517 -2.011 3.200 1.00 0.00 C ATOM 1248 O PRO A 83 -5.759 -1.384 3.914 1.00 0.00 O ATOM 1249 CB PRO A 83 -6.508 -1.262 0.798 1.00 0.00 C ATOM 1250 CG PRO A 83 -5.852 0.081 0.821 1.00 0.00 C ATOM 1251 CD PRO A 83 -6.754 1.001 1.603 1.00 0.00 C ATOM 0 HA PRO A 83 -8.236 -1.907 1.983 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -5.768 -2.062 0.754 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -7.149 -1.373 -0.076 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -4.867 0.021 1.285 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -5.705 0.455 -0.192 1.00 0.00 H new ATOM 0 HD2 PRO A 83 -6.180 1.690 2.223 1.00 0.00 H new ATOM 0 HD3 PRO A 83 -7.374 1.608 0.943 1.00 0.00 H new ATOM 1259 N TRP A 84 -6.674 -3.297 3.338 1.00 0.00 N ATOM 1260 CA TRP A 84 -5.920 -4.041 4.387 1.00 0.00 C ATOM 1261 C TRP A 84 -5.474 -5.391 3.824 1.00 0.00 C ATOM 1262 O TRP A 84 -5.525 -5.615 2.631 1.00 0.00 O ATOM 1263 CB TRP A 84 -6.902 -4.227 5.547 1.00 0.00 C ATOM 1264 CG TRP A 84 -8.168 -4.849 5.051 1.00 0.00 C ATOM 1265 CD1 TRP A 84 -9.272 -4.166 4.670 1.00 0.00 C ATOM 1266 CD2 TRP A 84 -8.484 -6.262 4.884 1.00 0.00 C ATOM 1267 NE1 TRP A 84 -10.243 -5.069 4.277 1.00 0.00 N ATOM 1268 CE2 TRP A 84 -9.805 -6.373 4.391 1.00 0.00 C ATOM 1269 CE3 TRP A 84 -7.759 -7.446 5.109 1.00 0.00 C ATOM 1270 CZ2 TRP A 84 -10.387 -7.614 4.131 1.00 0.00 C ATOM 1271 CZ3 TRP A 84 -8.341 -8.697 4.849 1.00 0.00 C ATOM 1272 CH2 TRP A 84 -9.653 -8.781 4.360 1.00 0.00 C ATOM 0 H TRP A 84 -7.296 -3.869 2.766 1.00 0.00 H new ATOM 0 HA TRP A 84 -5.025 -3.512 4.716 1.00 0.00 H new ATOM 0 HB2 TRP A 84 -6.454 -4.857 6.316 1.00 0.00 H new ATOM 0 HB3 TRP A 84 -7.117 -3.264 6.010 1.00 0.00 H new ATOM 0 HD1 TRP A 84 -9.378 -3.091 4.672 1.00 0.00 H new ATOM 0 HE1 TRP A 84 -11.170 -4.804 3.944 1.00 0.00 H new ATOM 0 HE3 TRP A 84 -6.748 -7.393 5.484 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 -11.398 -7.672 3.755 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 -7.775 -9.600 5.027 1.00 0.00 H new ATOM 0 HH2 TRP A 84 -10.095 -9.746 4.161 1.00 0.00 H new ATOM 1283 N CYS A 85 -5.032 -6.296 4.655 1.00 0.00 N ATOM 1284 CA CYS A 85 -4.589 -7.615 4.121 1.00 0.00 C ATOM 1285 C CYS A 85 -4.046 -8.496 5.255 1.00 0.00 C ATOM 1286 O CYS A 85 -3.884 -8.059 6.377 1.00 0.00 O ATOM 1287 CB CYS A 85 -3.512 -7.248 3.077 1.00 0.00 C ATOM 1288 SG CYS A 85 -2.036 -8.294 3.223 1.00 0.00 S ATOM 0 H CYS A 85 -4.959 -6.182 5.666 1.00 0.00 H new ATOM 0 HA CYS A 85 -5.392 -8.200 3.673 1.00 0.00 H new ATOM 0 HB2 CYS A 85 -3.930 -7.349 2.075 1.00 0.00 H new ATOM 0 HB3 CYS A 85 -3.229 -6.203 3.201 1.00 0.00 H new ATOM 1293 N TYR A 86 -3.773 -9.738 4.959 1.00 0.00 N ATOM 1294 CA TYR A 86 -3.249 -10.667 6.001 1.00 0.00 C ATOM 1295 C TYR A 86 -1.800 -10.319 6.352 1.00 0.00 C ATOM 1296 O TYR A 86 -1.169 -9.510 5.700 1.00 0.00 O ATOM 1297 CB TYR A 86 -3.325 -12.052 5.356 1.00 0.00 C ATOM 1298 CG TYR A 86 -4.768 -12.401 5.081 1.00 0.00 C ATOM 1299 CD1 TYR A 86 -5.735 -12.190 6.070 1.00 0.00 C ATOM 1300 CD2 TYR A 86 -5.140 -12.935 3.841 1.00 0.00 C ATOM 1301 CE1 TYR A 86 -7.073 -12.512 5.823 1.00 0.00 C ATOM 1302 CE2 TYR A 86 -6.480 -13.258 3.593 1.00 0.00 C ATOM 1303 CZ TYR A 86 -7.447 -13.046 4.585 1.00 0.00 C ATOM 1304 OH TYR A 86 -8.767 -13.363 4.342 1.00 0.00 O ATOM 0 H TYR A 86 -3.891 -10.151 4.034 1.00 0.00 H new ATOM 0 HA TYR A 86 -3.817 -10.610 6.929 1.00 0.00 H new ATOM 0 HB2 TYR A 86 -2.754 -12.064 4.428 1.00 0.00 H new ATOM 0 HB3 TYR A 86 -2.879 -12.797 6.015 1.00 0.00 H new ATOM 0 HD1 TYR A 86 -5.447 -11.778 7.026 1.00 0.00 H new ATOM 0 HD2 TYR A 86 -4.394 -13.098 3.077 1.00 0.00 H new ATOM 0 HE1 TYR A 86 -7.818 -12.349 6.588 1.00 0.00 H new ATOM 0 HE2 TYR A 86 -6.768 -13.670 2.637 1.00 0.00 H new ATOM 0 HH TYR A 86 -8.813 -14.111 3.710 1.00 0.00 H new ATOM 1314 N THR A 87 -1.266 -10.930 7.376 1.00 0.00 N ATOM 1315 CA THR A 87 0.143 -10.643 7.768 1.00 0.00 C ATOM 1316 C THR A 87 1.023 -11.861 7.502 1.00 0.00 C ATOM 1317 O THR A 87 0.690 -12.970 7.873 1.00 0.00 O ATOM 1318 CB THR A 87 0.098 -10.378 9.271 1.00 0.00 C ATOM 1319 OG1 THR A 87 -1.067 -10.969 9.811 1.00 0.00 O ATOM 1320 CG2 THR A 87 0.089 -8.877 9.546 1.00 0.00 C ATOM 0 H THR A 87 -1.746 -11.616 7.958 1.00 0.00 H new ATOM 0 HA THR A 87 0.552 -9.803 7.206 1.00 0.00 H new ATOM 0 HB THR A 87 0.983 -10.811 9.738 1.00 0.00 H new ATOM 0 HG1 THR A 87 -0.839 -11.832 10.215 1.00 0.00 H new ATOM 0 HG21 THR A 87 0.057 -8.704 10.622 1.00 0.00 H new ATOM 0 HG22 THR A 87 0.991 -8.426 9.133 1.00 0.00 H new ATOM 0 HG23 THR A 87 -0.788 -8.427 9.080 1.00 0.00 H new ATOM 1328 N MET A 88 2.151 -11.670 6.880 1.00 0.00 N ATOM 1329 CA MET A 88 3.060 -12.821 6.613 1.00 0.00 C ATOM 1330 C MET A 88 3.501 -13.478 7.931 1.00 0.00 C ATOM 1331 O MET A 88 4.158 -14.500 7.928 1.00 0.00 O ATOM 1332 CB MET A 88 4.261 -12.208 5.896 1.00 0.00 C ATOM 1333 CG MET A 88 4.700 -13.125 4.753 1.00 0.00 C ATOM 1334 SD MET A 88 6.492 -12.992 4.532 1.00 0.00 S ATOM 1335 CE MET A 88 6.654 -14.222 3.215 1.00 0.00 C ATOM 0 H MET A 88 2.485 -10.767 6.544 1.00 0.00 H new ATOM 0 HA MET A 88 2.577 -13.599 6.022 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.001 -11.224 5.506 1.00 0.00 H new ATOM 0 HB3 MET A 88 5.083 -12.066 6.598 1.00 0.00 H new ATOM 0 HG2 MET A 88 4.425 -14.156 4.973 1.00 0.00 H new ATOM 0 HG3 MET A 88 4.187 -12.848 3.832 1.00 0.00 H new ATOM 0 HE1 MET A 88 7.700 -14.303 2.920 1.00 0.00 H new ATOM 0 HE2 MET A 88 6.302 -15.189 3.575 1.00 0.00 H new ATOM 0 HE3 MET A 88 6.057 -13.916 2.356 1.00 0.00 H new ATOM 1345 N ASP A 89 3.146 -12.909 9.056 1.00 0.00 N ATOM 1346 CA ASP A 89 3.546 -13.510 10.351 1.00 0.00 C ATOM 1347 C ASP A 89 2.340 -14.203 10.985 1.00 0.00 C ATOM 1348 O ASP A 89 1.243 -13.680 10.972 1.00 0.00 O ATOM 1349 CB ASP A 89 4.004 -12.331 11.209 1.00 0.00 C ATOM 1350 CG ASP A 89 5.488 -12.060 10.956 1.00 0.00 C ATOM 1351 OD1 ASP A 89 6.304 -12.644 11.650 1.00 0.00 O ATOM 1352 OD2 ASP A 89 5.784 -11.271 10.073 1.00 0.00 O ATOM 0 H ASP A 89 2.596 -12.053 9.127 1.00 0.00 H new ATOM 0 HA ASP A 89 4.331 -14.258 10.245 1.00 0.00 H new ATOM 0 HB2 ASP A 89 3.416 -11.445 10.971 1.00 0.00 H new ATOM 0 HB3 ASP A 89 3.838 -12.550 12.264 1.00 0.00 H new ATOM 1357 N PRO A 90 2.590 -15.360 11.517 1.00 0.00 N ATOM 1358 CA PRO A 90 1.519 -16.150 12.169 1.00 0.00 C ATOM 1359 C PRO A 90 1.086 -15.482 13.474 1.00 0.00 C ATOM 1360 O PRO A 90 0.161 -15.919 14.129 1.00 0.00 O ATOM 1361 CB PRO A 90 2.181 -17.502 12.427 1.00 0.00 C ATOM 1362 CG PRO A 90 3.646 -17.206 12.482 1.00 0.00 C ATOM 1363 CD PRO A 90 3.886 -16.035 11.564 1.00 0.00 C ATOM 0 HA PRO A 90 0.615 -16.238 11.566 1.00 0.00 H new ATOM 0 HB2 PRO A 90 1.831 -17.942 13.361 1.00 0.00 H new ATOM 0 HB3 PRO A 90 1.951 -18.213 11.634 1.00 0.00 H new ATOM 0 HG2 PRO A 90 3.955 -16.969 13.500 1.00 0.00 H new ATOM 0 HG3 PRO A 90 4.228 -18.072 12.165 1.00 0.00 H new ATOM 0 HD2 PRO A 90 4.666 -15.378 11.949 1.00 0.00 H new ATOM 0 HD3 PRO A 90 4.204 -16.361 10.574 1.00 0.00 H new ATOM 1371 N ASN A 91 1.739 -14.418 13.850 1.00 0.00 N ATOM 1372 CA ASN A 91 1.353 -13.716 15.104 1.00 0.00 C ATOM 1373 C ASN A 91 0.281 -12.670 14.793 1.00 0.00 C ATOM 1374 O ASN A 91 -0.334 -12.112 15.681 1.00 0.00 O ATOM 1375 CB ASN A 91 2.634 -13.042 15.598 1.00 0.00 C ATOM 1376 CG ASN A 91 3.569 -14.094 16.196 1.00 0.00 C ATOM 1377 OD1 ASN A 91 3.381 -14.525 17.317 1.00 0.00 O ATOM 1378 ND2 ASN A 91 4.576 -14.530 15.491 1.00 0.00 N ATOM 0 H ASN A 91 2.522 -14.005 13.343 1.00 0.00 H new ATOM 0 HA ASN A 91 0.942 -14.393 15.853 1.00 0.00 H new ATOM 0 HB2 ASN A 91 3.128 -12.528 14.773 1.00 0.00 H new ATOM 0 HB3 ASN A 91 2.394 -12.286 16.346 1.00 0.00 H new ATOM 0 HD21 ASN A 91 5.205 -15.232 15.880 1.00 0.00 H new ATOM 0 HD22 ASN A 91 4.734 -14.169 14.550 1.00 0.00 H new ATOM 1385 N VAL A 92 0.052 -12.401 13.535 1.00 0.00 N ATOM 1386 CA VAL A 92 -0.978 -11.394 13.164 1.00 0.00 C ATOM 1387 C VAL A 92 -2.013 -12.023 12.228 1.00 0.00 C ATOM 1388 O VAL A 92 -1.673 -12.633 11.236 1.00 0.00 O ATOM 1389 CB VAL A 92 -0.201 -10.290 12.442 1.00 0.00 C ATOM 1390 CG1 VAL A 92 -1.164 -9.173 12.028 1.00 0.00 C ATOM 1391 CG2 VAL A 92 0.861 -9.716 13.382 1.00 0.00 C ATOM 0 H VAL A 92 0.535 -12.837 12.750 1.00 0.00 H new ATOM 0 HA VAL A 92 -1.521 -11.013 14.029 1.00 0.00 H new ATOM 0 HB VAL A 92 0.279 -10.706 11.556 1.00 0.00 H new ATOM 0 HG11 VAL A 92 -0.610 -8.387 11.514 1.00 0.00 H new ATOM 0 HG12 VAL A 92 -1.925 -9.577 11.360 1.00 0.00 H new ATOM 0 HG13 VAL A 92 -1.643 -8.758 12.915 1.00 0.00 H new ATOM 0 HG21 VAL A 92 1.415 -8.930 12.869 1.00 0.00 H new ATOM 0 HG22 VAL A 92 0.378 -9.301 14.267 1.00 0.00 H new ATOM 0 HG23 VAL A 92 1.548 -10.507 13.681 1.00 0.00 H new ATOM 1401 N ARG A 93 -3.272 -11.881 12.529 1.00 0.00 N ATOM 1402 CA ARG A 93 -4.312 -12.464 11.648 1.00 0.00 C ATOM 1403 C ARG A 93 -4.455 -11.599 10.393 1.00 0.00 C ATOM 1404 O ARG A 93 -4.408 -12.079 9.278 1.00 0.00 O ATOM 1405 CB ARG A 93 -5.597 -12.437 12.474 1.00 0.00 C ATOM 1406 CG ARG A 93 -6.747 -13.016 11.650 1.00 0.00 C ATOM 1407 CD ARG A 93 -8.071 -12.760 12.371 1.00 0.00 C ATOM 1408 NE ARG A 93 -7.943 -13.473 13.671 1.00 0.00 N ATOM 1409 CZ ARG A 93 -8.558 -14.609 13.856 1.00 0.00 C ATOM 1410 NH1 ARG A 93 -8.217 -15.657 13.157 1.00 0.00 N ATOM 1411 NH2 ARG A 93 -9.514 -14.697 14.740 1.00 0.00 N ATOM 0 H ARG A 93 -3.623 -11.385 13.348 1.00 0.00 H new ATOM 0 HA ARG A 93 -4.071 -13.475 11.321 1.00 0.00 H new ATOM 0 HB2 ARG A 93 -5.465 -13.014 13.389 1.00 0.00 H new ATOM 0 HB3 ARG A 93 -5.828 -11.414 12.772 1.00 0.00 H new ATOM 0 HG2 ARG A 93 -6.765 -12.559 10.661 1.00 0.00 H new ATOM 0 HG3 ARG A 93 -6.601 -14.086 11.504 1.00 0.00 H new ATOM 0 HD2 ARG A 93 -8.240 -11.694 12.520 1.00 0.00 H new ATOM 0 HD3 ARG A 93 -8.915 -13.139 11.794 1.00 0.00 H new ATOM 0 HE ARG A 93 -7.374 -13.074 14.418 1.00 0.00 H new ATOM 0 HH11 ARG A 93 -7.470 -15.588 12.466 1.00 0.00 H new ATOM 0 HH12 ARG A 93 -8.698 -16.545 13.302 1.00 0.00 H new ATOM 0 HH21 ARG A 93 -9.780 -13.878 15.286 1.00 0.00 H new ATOM 0 HH22 ARG A 93 -9.995 -15.585 14.885 1.00 0.00 H new ATOM 1425 N TRP A 94 -4.615 -10.319 10.582 1.00 0.00 N ATOM 1426 CA TRP A 94 -4.748 -9.385 9.427 1.00 0.00 C ATOM 1427 C TRP A 94 -4.428 -7.965 9.899 1.00 0.00 C ATOM 1428 O TRP A 94 -4.338 -7.710 11.083 1.00 0.00 O ATOM 1429 CB TRP A 94 -6.207 -9.496 8.979 1.00 0.00 C ATOM 1430 CG TRP A 94 -7.092 -8.841 9.990 1.00 0.00 C ATOM 1431 CD1 TRP A 94 -7.787 -9.491 10.952 1.00 0.00 C ATOM 1432 CD2 TRP A 94 -7.389 -7.424 10.156 1.00 0.00 C ATOM 1433 NE1 TRP A 94 -8.492 -8.563 11.698 1.00 0.00 N ATOM 1434 CE2 TRP A 94 -8.279 -7.275 11.246 1.00 0.00 C ATOM 1435 CE3 TRP A 94 -6.977 -6.266 9.474 1.00 0.00 C ATOM 1436 CZ2 TRP A 94 -8.743 -6.021 11.645 1.00 0.00 C ATOM 1437 CZ3 TRP A 94 -7.442 -5.002 9.872 1.00 0.00 C ATOM 1438 CH2 TRP A 94 -8.322 -4.880 10.956 1.00 0.00 C ATOM 0 H TRP A 94 -4.660 -9.874 11.499 1.00 0.00 H new ATOM 0 HA TRP A 94 -4.069 -9.622 8.608 1.00 0.00 H new ATOM 0 HB2 TRP A 94 -6.336 -9.022 8.006 1.00 0.00 H new ATOM 0 HB3 TRP A 94 -6.484 -10.544 8.863 1.00 0.00 H new ATOM 0 HD1 TRP A 94 -7.791 -10.559 11.111 1.00 0.00 H new ATOM 0 HE1 TRP A 94 -9.095 -8.801 12.485 1.00 0.00 H new ATOM 0 HE3 TRP A 94 -6.298 -6.349 8.638 1.00 0.00 H new ATOM 0 HZ2 TRP A 94 -9.422 -5.933 12.480 1.00 0.00 H new ATOM 0 HZ3 TRP A 94 -7.120 -4.119 9.340 1.00 0.00 H new ATOM 0 HH2 TRP A 94 -8.675 -3.905 11.259 1.00 0.00 H new ATOM 1449 N GLU A 95 -4.247 -7.037 9.001 1.00 0.00 N ATOM 1450 CA GLU A 95 -3.927 -5.651 9.450 1.00 0.00 C ATOM 1451 C GLU A 95 -4.086 -4.654 8.303 1.00 0.00 C ATOM 1452 O GLU A 95 -3.739 -4.931 7.172 1.00 0.00 O ATOM 1453 CB GLU A 95 -2.466 -5.715 9.898 1.00 0.00 C ATOM 1454 CG GLU A 95 -2.388 -5.578 11.420 1.00 0.00 C ATOM 1455 CD GLU A 95 -3.137 -4.319 11.860 1.00 0.00 C ATOM 1456 OE1 GLU A 95 -3.226 -3.398 11.065 1.00 0.00 O ATOM 1457 OE2 GLU A 95 -3.610 -4.298 12.984 1.00 0.00 O ATOM 0 H GLU A 95 -4.305 -7.173 7.992 1.00 0.00 H new ATOM 0 HA GLU A 95 -4.594 -5.317 10.245 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -2.020 -6.659 9.585 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.894 -4.919 9.422 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.822 -6.457 11.897 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -1.347 -5.524 11.738 1.00 0.00 H new ATOM 1464 N TYR A 96 -4.591 -3.484 8.590 1.00 0.00 N ATOM 1465 CA TYR A 96 -4.748 -2.463 7.520 1.00 0.00 C ATOM 1466 C TYR A 96 -3.369 -2.117 6.963 1.00 0.00 C ATOM 1467 O TYR A 96 -2.362 -2.559 7.479 1.00 0.00 O ATOM 1468 CB TYR A 96 -5.369 -1.249 8.213 1.00 0.00 C ATOM 1469 CG TYR A 96 -6.875 -1.350 8.166 1.00 0.00 C ATOM 1470 CD1 TYR A 96 -7.563 -1.038 6.988 1.00 0.00 C ATOM 1471 CD2 TYR A 96 -7.585 -1.753 9.304 1.00 0.00 C ATOM 1472 CE1 TYR A 96 -8.959 -1.129 6.947 1.00 0.00 C ATOM 1473 CE2 TYR A 96 -8.981 -1.844 9.263 1.00 0.00 C ATOM 1474 CZ TYR A 96 -9.668 -1.532 8.085 1.00 0.00 C ATOM 1475 OH TYR A 96 -11.045 -1.622 8.045 1.00 0.00 O ATOM 0 H TYR A 96 -4.900 -3.194 9.518 1.00 0.00 H new ATOM 0 HA TYR A 96 -5.367 -2.806 6.691 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -5.031 -1.197 9.248 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -5.041 -0.332 7.724 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.016 -0.727 6.110 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -7.055 -1.994 10.214 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.489 -0.888 6.037 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -9.528 -2.155 10.141 1.00 0.00 H new ATOM 0 HH TYR A 96 -11.336 -2.410 8.550 1.00 0.00 H new ATOM 1485 N CYS A 97 -3.301 -1.339 5.921 1.00 0.00 N ATOM 1486 CA CYS A 97 -1.966 -0.989 5.359 1.00 0.00 C ATOM 1487 C CYS A 97 -1.671 0.505 5.545 1.00 0.00 C ATOM 1488 O CYS A 97 -2.480 1.251 6.060 1.00 0.00 O ATOM 1489 CB CYS A 97 -2.052 -1.367 3.880 1.00 0.00 C ATOM 1490 SG CYS A 97 -1.991 -3.170 3.730 1.00 0.00 S ATOM 0 H CYS A 97 -4.102 -0.933 5.437 1.00 0.00 H new ATOM 0 HA CYS A 97 -1.153 -1.515 5.860 1.00 0.00 H new ATOM 0 HB2 CYS A 97 -2.976 -0.984 3.446 1.00 0.00 H new ATOM 0 HB3 CYS A 97 -1.229 -0.915 3.327 1.00 0.00 H new ATOM 1495 N ASN A 98 -0.509 0.940 5.144 1.00 0.00 N ATOM 1496 CA ASN A 98 -0.146 2.380 5.316 1.00 0.00 C ATOM 1497 C ASN A 98 -0.611 3.234 4.135 1.00 0.00 C ATOM 1498 O ASN A 98 0.198 3.770 3.405 1.00 0.00 O ATOM 1499 CB ASN A 98 1.378 2.391 5.370 1.00 0.00 C ATOM 1500 CG ASN A 98 1.842 2.219 6.818 1.00 0.00 C ATOM 1501 OD1 ASN A 98 1.218 2.721 7.732 1.00 0.00 O ATOM 1502 ND2 ASN A 98 2.919 1.525 7.067 1.00 0.00 N ATOM 0 H ASN A 98 0.207 0.362 4.704 1.00 0.00 H new ATOM 0 HA ASN A 98 -0.619 2.796 6.206 1.00 0.00 H new ATOM 0 HB2 ASN A 98 1.780 1.589 4.751 1.00 0.00 H new ATOM 0 HB3 ASN A 98 1.760 3.328 4.964 1.00 0.00 H new ATOM 0 HD21 ASN A 98 3.237 1.404 8.029 1.00 0.00 H new ATOM 0 HD22 ASN A 98 3.443 1.104 6.300 1.00 0.00 H new ATOM 1509 N LEU A 99 -1.890 3.391 3.935 1.00 0.00 N ATOM 1510 CA LEU A 99 -2.332 4.240 2.796 1.00 0.00 C ATOM 1511 C LEU A 99 -2.798 5.602 3.305 1.00 0.00 C ATOM 1512 O LEU A 99 -3.511 5.703 4.283 1.00 0.00 O ATOM 1513 CB LEU A 99 -3.511 3.515 2.134 1.00 0.00 C ATOM 1514 CG LEU A 99 -3.312 1.995 2.133 1.00 0.00 C ATOM 1515 CD1 LEU A 99 -1.826 1.631 2.016 1.00 0.00 C ATOM 1516 CD2 LEU A 99 -3.897 1.412 3.418 1.00 0.00 C ATOM 0 H LEU A 99 -2.634 2.978 4.498 1.00 0.00 H new ATOM 0 HA LEU A 99 -1.514 4.399 2.093 1.00 0.00 H new ATOM 0 HB2 LEU A 99 -4.432 3.761 2.662 1.00 0.00 H new ATOM 0 HB3 LEU A 99 -3.626 3.868 1.109 1.00 0.00 H new ATOM 0 HG LEU A 99 -3.826 1.574 1.269 1.00 0.00 H new ATOM 0 HD11 LEU A 99 -1.716 0.547 2.018 1.00 0.00 H new ATOM 0 HD12 LEU A 99 -1.425 2.035 1.087 1.00 0.00 H new ATOM 0 HD13 LEU A 99 -1.281 2.053 2.860 1.00 0.00 H new ATOM 0 HD21 LEU A 99 -3.758 0.331 3.423 1.00 0.00 H new ATOM 0 HD22 LEU A 99 -3.389 1.847 4.279 1.00 0.00 H new ATOM 0 HD23 LEU A 99 -4.961 1.642 3.470 1.00 0.00 H new ATOM 1528 N THR A 100 -2.424 6.648 2.628 1.00 0.00 N ATOM 1529 CA THR A 100 -2.866 8.003 3.042 1.00 0.00 C ATOM 1530 C THR A 100 -3.917 8.498 2.056 1.00 0.00 C ATOM 1531 O THR A 100 -3.989 8.031 0.942 1.00 0.00 O ATOM 1532 CB THR A 100 -1.624 8.879 2.966 1.00 0.00 C ATOM 1533 OG1 THR A 100 -1.258 9.063 1.605 1.00 0.00 O ATOM 1534 CG2 THR A 100 -0.480 8.208 3.720 1.00 0.00 C ATOM 0 H THR A 100 -1.828 6.621 1.801 1.00 0.00 H new ATOM 0 HA THR A 100 -3.300 8.016 4.042 1.00 0.00 H new ATOM 0 HB THR A 100 -1.833 9.848 3.418 1.00 0.00 H new ATOM 0 HG1 THR A 100 -0.341 8.747 1.467 1.00 0.00 H new ATOM 0 HG21 THR A 100 0.409 8.836 3.665 1.00 0.00 H new ATOM 0 HG22 THR A 100 -0.763 8.070 4.763 1.00 0.00 H new ATOM 0 HG23 THR A 100 -0.268 7.238 3.271 1.00 0.00 H new ATOM 1542 N GLN A 101 -4.726 9.436 2.435 1.00 0.00 N ATOM 1543 CA GLN A 101 -5.750 9.925 1.472 1.00 0.00 C ATOM 1544 C GLN A 101 -5.054 10.594 0.287 1.00 0.00 C ATOM 1545 O GLN A 101 -4.642 11.735 0.362 1.00 0.00 O ATOM 1546 CB GLN A 101 -6.600 10.934 2.243 1.00 0.00 C ATOM 1547 CG GLN A 101 -8.054 10.827 1.776 1.00 0.00 C ATOM 1548 CD GLN A 101 -8.756 12.172 1.972 1.00 0.00 C ATOM 1549 OE1 GLN A 101 -8.475 13.125 1.272 1.00 0.00 O ATOM 1550 NE2 GLN A 101 -9.666 12.290 2.900 1.00 0.00 N ATOM 0 H GLN A 101 -4.728 9.882 3.352 1.00 0.00 H new ATOM 0 HA GLN A 101 -6.366 9.117 1.077 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -6.534 10.740 3.314 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -6.226 11.944 2.078 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -8.089 10.537 0.726 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -8.571 10.050 2.339 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -9.902 11.490 3.488 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -10.141 13.182 3.038 1.00 0.00 H new ATOM 1559 N CYS A 102 -4.914 9.896 -0.810 1.00 0.00 N ATOM 1560 CA CYS A 102 -4.242 10.504 -1.985 1.00 0.00 C ATOM 1561 C CYS A 102 -5.256 10.809 -3.093 1.00 0.00 C ATOM 1562 O CYS A 102 -5.256 10.166 -4.124 1.00 0.00 O ATOM 1563 CB CYS A 102 -3.218 9.476 -2.465 1.00 0.00 C ATOM 1564 SG CYS A 102 -1.566 10.214 -2.405 1.00 0.00 S ATOM 0 H CYS A 102 -5.236 8.937 -0.938 1.00 0.00 H new ATOM 0 HA CYS A 102 -3.766 11.449 -1.723 1.00 0.00 H new ATOM 0 HB2 CYS A 102 -3.255 8.586 -1.837 1.00 0.00 H new ATOM 0 HB3 CYS A 102 -3.452 9.159 -3.481 1.00 0.00 H new ATOM 1569 N PRO A 103 -6.088 11.786 -2.845 1.00 0.00 N ATOM 1570 CA PRO A 103 -7.117 12.182 -3.840 1.00 0.00 C ATOM 1571 C PRO A 103 -6.462 12.886 -5.032 1.00 0.00 C ATOM 1572 O PRO A 103 -6.484 14.096 -5.139 1.00 0.00 O ATOM 1573 CB PRO A 103 -8.011 13.147 -3.066 1.00 0.00 C ATOM 1574 CG PRO A 103 -7.139 13.690 -1.980 1.00 0.00 C ATOM 1575 CD PRO A 103 -6.153 12.606 -1.630 1.00 0.00 C ATOM 0 HA PRO A 103 -7.666 11.334 -4.250 1.00 0.00 H new ATOM 0 HB2 PRO A 103 -8.383 13.944 -3.710 1.00 0.00 H new ATOM 0 HB3 PRO A 103 -8.882 12.636 -2.655 1.00 0.00 H new ATOM 0 HG2 PRO A 103 -6.622 14.590 -2.313 1.00 0.00 H new ATOM 0 HG3 PRO A 103 -7.733 13.968 -1.110 1.00 0.00 H new ATOM 0 HD2 PRO A 103 -5.178 13.020 -1.374 1.00 0.00 H new ATOM 0 HD3 PRO A 103 -6.487 12.023 -0.772 1.00 0.00 H new ATOM 1583 N VAL A 104 -5.879 12.139 -5.929 1.00 0.00 N ATOM 1584 CA VAL A 104 -5.223 12.770 -7.110 1.00 0.00 C ATOM 1585 C VAL A 104 -5.758 12.155 -8.405 1.00 0.00 C ATOM 1586 O VAL A 104 -5.330 12.498 -9.489 1.00 0.00 O ATOM 1587 CB VAL A 104 -3.735 12.467 -6.944 1.00 0.00 C ATOM 1588 CG1 VAL A 104 -2.935 13.247 -7.988 1.00 0.00 C ATOM 1589 CG2 VAL A 104 -3.285 12.885 -5.543 1.00 0.00 C ATOM 0 H VAL A 104 -5.828 11.121 -5.896 1.00 0.00 H new ATOM 0 HA VAL A 104 -5.416 13.841 -7.167 1.00 0.00 H new ATOM 0 HB VAL A 104 -3.564 11.399 -7.079 1.00 0.00 H new ATOM 0 HG11 VAL A 104 -1.873 13.031 -7.869 1.00 0.00 H new ATOM 0 HG12 VAL A 104 -3.256 12.952 -8.987 1.00 0.00 H new ATOM 0 HG13 VAL A 104 -3.105 14.315 -7.853 1.00 0.00 H new ATOM 0 HG21 VAL A 104 -2.223 12.670 -5.422 1.00 0.00 H new ATOM 0 HG22 VAL A 104 -3.456 13.953 -5.410 1.00 0.00 H new ATOM 0 HG23 VAL A 104 -3.855 12.330 -4.797 1.00 0.00 H new ATOM 1599 N THR A 105 -6.693 11.250 -8.301 1.00 0.00 N ATOM 1600 CA THR A 105 -7.256 10.617 -9.527 1.00 0.00 C ATOM 1601 C THR A 105 -8.529 11.348 -9.960 1.00 0.00 C ATOM 1602 O THR A 105 -9.368 10.799 -10.646 1.00 0.00 O ATOM 1603 CB THR A 105 -7.576 9.178 -9.118 1.00 0.00 C ATOM 1604 OG1 THR A 105 -6.513 8.665 -8.328 1.00 0.00 O ATOM 1605 CG2 THR A 105 -7.747 8.316 -10.370 1.00 0.00 C ATOM 0 H THR A 105 -7.091 10.922 -7.421 1.00 0.00 H new ATOM 0 HA THR A 105 -6.565 10.657 -10.369 1.00 0.00 H new ATOM 0 HB THR A 105 -8.500 9.161 -8.540 1.00 0.00 H new ATOM 0 HG1 THR A 105 -6.717 7.744 -8.064 1.00 0.00 H new ATOM 0 HG21 THR A 105 -7.975 7.291 -10.078 1.00 0.00 H new ATOM 0 HG22 THR A 105 -8.563 8.711 -10.975 1.00 0.00 H new ATOM 0 HG23 THR A 105 -6.825 8.331 -10.951 1.00 0.00 H new ATOM 1613 N GLU A 106 -8.679 12.583 -9.563 1.00 0.00 N ATOM 1614 CA GLU A 106 -9.897 13.350 -9.950 1.00 0.00 C ATOM 1615 C GLU A 106 -10.244 13.087 -11.419 1.00 0.00 C ATOM 1616 O GLU A 106 -9.386 13.081 -12.279 1.00 0.00 O ATOM 1617 CB GLU A 106 -9.522 14.817 -9.739 1.00 0.00 C ATOM 1618 CG GLU A 106 -10.730 15.582 -9.192 1.00 0.00 C ATOM 1619 CD GLU A 106 -10.484 15.944 -7.726 1.00 0.00 C ATOM 1620 OE1 GLU A 106 -9.849 16.957 -7.484 1.00 0.00 O ATOM 1621 OE2 GLU A 106 -10.937 15.202 -6.870 1.00 0.00 O ATOM 0 H GLU A 106 -8.010 13.094 -8.987 1.00 0.00 H new ATOM 0 HA GLU A 106 -10.770 13.064 -9.364 1.00 0.00 H new ATOM 0 HB2 GLU A 106 -8.686 14.893 -9.044 1.00 0.00 H new ATOM 0 HB3 GLU A 106 -9.195 15.258 -10.681 1.00 0.00 H new ATOM 0 HG2 GLU A 106 -10.897 16.486 -9.778 1.00 0.00 H new ATOM 0 HG3 GLU A 106 -11.630 14.974 -9.281 1.00 0.00 H new ATOM 1628 N SER A 107 -11.497 12.867 -11.711 1.00 0.00 N ATOM 1629 CA SER A 107 -11.900 12.603 -13.123 1.00 0.00 C ATOM 1630 C SER A 107 -11.660 13.845 -13.983 1.00 0.00 C ATOM 1631 O SER A 107 -10.619 14.001 -14.590 1.00 0.00 O ATOM 1632 CB SER A 107 -13.392 12.279 -13.056 1.00 0.00 C ATOM 1633 OG SER A 107 -13.565 10.869 -13.028 1.00 0.00 O ATOM 0 H SER A 107 -12.259 12.859 -11.033 1.00 0.00 H new ATOM 0 HA SER A 107 -11.326 11.791 -13.570 1.00 0.00 H new ATOM 0 HB2 SER A 107 -13.834 12.729 -12.167 1.00 0.00 H new ATOM 0 HB3 SER A 107 -13.907 12.703 -13.918 1.00 0.00 H new ATOM 0 HG SER A 107 -14.521 10.658 -12.983 1.00 0.00 H new ATOM 1639 N SER A 108 -12.617 14.730 -14.041 1.00 0.00 N ATOM 1640 CA SER A 108 -12.444 15.961 -14.863 1.00 0.00 C ATOM 1641 C SER A 108 -12.031 17.136 -13.972 1.00 0.00 C ATOM 1642 O SER A 108 -12.350 17.180 -12.799 1.00 0.00 O ATOM 1643 CB SER A 108 -13.816 16.215 -15.486 1.00 0.00 C ATOM 1644 OG SER A 108 -13.686 16.267 -16.901 1.00 0.00 O ATOM 0 H SER A 108 -13.511 14.654 -13.555 1.00 0.00 H new ATOM 0 HA SER A 108 -11.668 15.849 -15.620 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.510 15.424 -15.202 1.00 0.00 H new ATOM 0 HB3 SER A 108 -14.230 17.151 -15.112 1.00 0.00 H new ATOM 0 HG SER A 108 -14.564 16.428 -17.305 1.00 0.00 H new ATOM 1650 N VAL A 109 -11.323 18.086 -14.517 1.00 0.00 N ATOM 1651 CA VAL A 109 -10.889 19.255 -13.700 1.00 0.00 C ATOM 1652 C VAL A 109 -10.764 20.503 -14.578 1.00 0.00 C ATOM 1653 O VAL A 109 -10.437 20.423 -15.746 1.00 0.00 O ATOM 1654 CB VAL A 109 -9.523 18.861 -13.138 1.00 0.00 C ATOM 1655 CG1 VAL A 109 -8.514 18.755 -14.283 1.00 0.00 C ATOM 1656 CG2 VAL A 109 -9.056 19.927 -12.144 1.00 0.00 C ATOM 0 H VAL A 109 -11.026 18.104 -15.493 1.00 0.00 H new ATOM 0 HA VAL A 109 -11.604 19.492 -12.912 1.00 0.00 H new ATOM 0 HB VAL A 109 -9.600 17.899 -12.631 1.00 0.00 H new ATOM 0 HG11 VAL A 109 -7.539 18.474 -13.884 1.00 0.00 H new ATOM 0 HG12 VAL A 109 -8.847 17.998 -14.993 1.00 0.00 H new ATOM 0 HG13 VAL A 109 -8.435 19.717 -14.789 1.00 0.00 H new ATOM 0 HG21 VAL A 109 -8.082 19.648 -11.742 1.00 0.00 H new ATOM 0 HG22 VAL A 109 -8.977 20.888 -12.652 1.00 0.00 H new ATOM 0 HG23 VAL A 109 -9.776 20.005 -11.329 1.00 0.00 H new ATOM 1666 N LEU A 110 -11.016 21.657 -14.021 1.00 0.00 N ATOM 1667 CA LEU A 110 -10.907 22.913 -14.816 1.00 0.00 C ATOM 1668 C LEU A 110 -10.425 24.061 -13.924 1.00 0.00 C ATOM 1669 O LEU A 110 -9.265 24.423 -13.937 1.00 0.00 O ATOM 1670 CB LEU A 110 -12.323 23.187 -15.325 1.00 0.00 C ATOM 1671 CG LEU A 110 -12.659 22.203 -16.445 1.00 0.00 C ATOM 1672 CD1 LEU A 110 -14.149 22.298 -16.777 1.00 0.00 C ATOM 1673 CD2 LEU A 110 -11.838 22.550 -17.688 1.00 0.00 C ATOM 0 H LEU A 110 -11.293 21.784 -13.048 1.00 0.00 H new ATOM 0 HA LEU A 110 -10.192 22.823 -15.634 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -13.040 23.086 -14.510 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -12.398 24.211 -15.691 1.00 0.00 H new ATOM 0 HG LEU A 110 -12.423 21.189 -16.122 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -14.389 21.596 -17.576 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -14.735 22.054 -15.891 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -14.386 23.311 -17.101 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -12.076 21.849 -18.488 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -12.076 23.564 -18.010 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -10.776 22.485 -17.452 1.00 0.00 H new ATOM 1685 N ALA A 111 -11.304 24.634 -13.148 1.00 0.00 N ATOM 1686 CA ALA A 111 -10.894 25.756 -12.255 1.00 0.00 C ATOM 1687 C ALA A 111 -9.856 25.272 -11.238 1.00 0.00 C ATOM 1688 O ALA A 111 -9.344 24.175 -11.334 1.00 0.00 O ATOM 1689 CB ALA A 111 -12.177 26.190 -11.548 1.00 0.00 C ATOM 0 H ALA A 111 -12.289 24.374 -13.093 1.00 0.00 H new ATOM 0 HA ALA A 111 -10.437 26.577 -12.808 1.00 0.00 H new ATOM 0 HB1 ALA A 111 -11.958 27.015 -10.870 1.00 0.00 H new ATOM 0 HB2 ALA A 111 -12.909 26.513 -12.288 1.00 0.00 H new ATOM 0 HB3 ALA A 111 -12.581 25.352 -10.980 1.00 0.00 H new ATOM 1695 N THR A 112 -9.542 26.083 -10.265 1.00 0.00 N ATOM 1696 CA THR A 112 -8.535 25.669 -9.245 1.00 0.00 C ATOM 1697 C THR A 112 -9.160 24.698 -8.238 1.00 0.00 C ATOM 1698 O THR A 112 -10.365 24.579 -8.143 1.00 0.00 O ATOM 1699 CB THR A 112 -8.120 26.965 -8.547 1.00 0.00 C ATOM 1700 OG1 THR A 112 -7.090 26.684 -7.608 1.00 0.00 O ATOM 1701 CG2 THR A 112 -9.328 27.567 -7.826 1.00 0.00 C ATOM 0 H THR A 112 -9.938 27.013 -10.132 1.00 0.00 H new ATOM 0 HA THR A 112 -7.686 25.155 -9.695 1.00 0.00 H new ATOM 0 HB THR A 112 -7.752 27.678 -9.285 1.00 0.00 H new ATOM 0 HG1 THR A 112 -6.821 27.513 -7.160 1.00 0.00 H new ATOM 0 HG21 THR A 112 -9.032 28.491 -7.329 1.00 0.00 H new ATOM 0 HG22 THR A 112 -10.114 27.781 -8.550 1.00 0.00 H new ATOM 0 HG23 THR A 112 -9.700 26.859 -7.085 1.00 0.00 H new ATOM 1709 N SER A 113 -8.349 24.008 -7.483 1.00 0.00 N ATOM 1710 CA SER A 113 -8.897 23.050 -6.481 1.00 0.00 C ATOM 1711 C SER A 113 -9.929 23.754 -5.595 1.00 0.00 C ATOM 1712 O SER A 113 -9.955 24.965 -5.502 1.00 0.00 O ATOM 1713 CB SER A 113 -7.691 22.610 -5.652 1.00 0.00 C ATOM 1714 OG SER A 113 -6.505 22.799 -6.414 1.00 0.00 O ATOM 0 H SER A 113 -7.331 24.066 -7.517 1.00 0.00 H new ATOM 0 HA SER A 113 -9.399 22.203 -6.948 1.00 0.00 H new ATOM 0 HB2 SER A 113 -7.640 23.187 -4.728 1.00 0.00 H new ATOM 0 HB3 SER A 113 -7.792 21.562 -5.369 1.00 0.00 H new ATOM 0 HG SER A 113 -5.729 22.520 -5.885 1.00 0.00 H new ATOM 1720 N THR A 114 -10.779 23.008 -4.946 1.00 0.00 N ATOM 1721 CA THR A 114 -11.806 23.644 -4.070 1.00 0.00 C ATOM 1722 C THR A 114 -12.254 22.668 -2.980 1.00 0.00 C ATOM 1723 O THR A 114 -12.712 21.577 -3.258 1.00 0.00 O ATOM 1724 CB THR A 114 -12.971 23.977 -5.004 1.00 0.00 C ATOM 1725 OG1 THR A 114 -12.516 24.840 -6.036 1.00 0.00 O ATOM 1726 CG2 THR A 114 -14.081 24.667 -4.210 1.00 0.00 C ATOM 0 H THR A 114 -10.808 21.989 -4.983 1.00 0.00 H new ATOM 0 HA THR A 114 -11.423 24.529 -3.562 1.00 0.00 H new ATOM 0 HB THR A 114 -13.360 23.059 -5.444 1.00 0.00 H new ATOM 0 HG1 THR A 114 -11.677 25.264 -5.761 1.00 0.00 H new ATOM 0 HG21 THR A 114 -14.911 24.904 -4.876 1.00 0.00 H new ATOM 0 HG22 THR A 114 -14.429 24.003 -3.419 1.00 0.00 H new ATOM 0 HG23 THR A 114 -13.695 25.586 -3.769 1.00 0.00 H new ATOM 1734 N ALA A 115 -12.128 23.056 -1.740 1.00 0.00 N ATOM 1735 CA ALA A 115 -12.549 22.154 -0.629 1.00 0.00 C ATOM 1736 C ALA A 115 -13.937 22.556 -0.123 1.00 0.00 C ATOM 1737 O ALA A 115 -14.945 22.070 -0.595 1.00 0.00 O ATOM 1738 CB ALA A 115 -11.499 22.358 0.464 1.00 0.00 C ATOM 0 H ALA A 115 -11.752 23.958 -1.448 1.00 0.00 H new ATOM 0 HA ALA A 115 -12.614 21.112 -0.942 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -11.738 21.727 1.320 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -10.515 22.090 0.078 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -11.495 23.403 0.774 1.00 0.00 H new ATOM 1744 N VAL A 116 -13.996 23.443 0.834 1.00 0.00 N ATOM 1745 CA VAL A 116 -15.318 23.878 1.368 1.00 0.00 C ATOM 1746 C VAL A 116 -15.450 25.401 1.270 1.00 0.00 C ATOM 1747 O VAL A 116 -14.769 26.137 1.956 1.00 0.00 O ATOM 1748 CB VAL A 116 -15.321 23.431 2.830 1.00 0.00 C ATOM 1749 CG1 VAL A 116 -15.298 21.903 2.895 1.00 0.00 C ATOM 1750 CG2 VAL A 116 -14.082 23.989 3.535 1.00 0.00 C ATOM 0 H VAL A 116 -13.186 23.885 1.269 1.00 0.00 H new ATOM 0 HA VAL A 116 -16.151 23.450 0.811 1.00 0.00 H new ATOM 0 HB VAL A 116 -16.219 23.803 3.323 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -15.300 21.583 3.937 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -16.178 21.504 2.391 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -14.399 21.531 2.403 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -14.083 23.671 4.578 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -13.184 23.616 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -14.096 25.078 3.488 1.00 0.00 H new ATOM 1760 N SER A 117 -16.316 25.877 0.419 1.00 0.00 N ATOM 1761 CA SER A 117 -16.486 27.352 0.274 1.00 0.00 C ATOM 1762 C SER A 117 -17.561 27.863 1.237 1.00 0.00 C ATOM 1763 O SER A 117 -18.705 27.455 1.182 1.00 0.00 O ATOM 1764 CB SER A 117 -16.924 27.559 -1.175 1.00 0.00 C ATOM 1765 OG SER A 117 -16.229 26.643 -2.011 1.00 0.00 O ATOM 0 H SER A 117 -16.913 25.310 -0.182 1.00 0.00 H new ATOM 0 HA SER A 117 -15.570 27.896 0.507 1.00 0.00 H new ATOM 0 HB2 SER A 117 -18.000 27.409 -1.267 1.00 0.00 H new ATOM 0 HB3 SER A 117 -16.717 28.583 -1.487 1.00 0.00 H new ATOM 0 HG SER A 117 -16.509 26.772 -2.941 1.00 0.00 H new ATOM 1771 N GLU A 118 -17.204 28.759 2.116 1.00 0.00 N ATOM 1772 CA GLU A 118 -18.205 29.300 3.078 1.00 0.00 C ATOM 1773 C GLU A 118 -19.442 29.793 2.323 1.00 0.00 C ATOM 1774 O GLU A 118 -20.552 29.719 2.813 1.00 0.00 O ATOM 1775 CB GLU A 118 -17.499 30.465 3.771 1.00 0.00 C ATOM 1776 CG GLU A 118 -16.825 29.967 5.051 1.00 0.00 C ATOM 1777 CD GLU A 118 -17.064 30.971 6.180 1.00 0.00 C ATOM 1778 OE1 GLU A 118 -18.211 31.145 6.559 1.00 0.00 O ATOM 1779 OE2 GLU A 118 -16.097 31.549 6.647 1.00 0.00 O ATOM 0 H GLU A 118 -16.262 29.140 2.209 1.00 0.00 H new ATOM 0 HA GLU A 118 -18.544 28.549 3.792 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -16.757 30.903 3.104 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -18.217 31.250 4.008 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -17.224 28.991 5.328 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -15.755 29.839 4.885 1.00 0.00 H new ATOM 1786 N GLN A 119 -19.259 30.295 1.132 1.00 0.00 N ATOM 1787 CA GLN A 119 -20.422 30.793 0.343 1.00 0.00 C ATOM 1788 C GLN A 119 -20.095 30.771 -1.153 1.00 0.00 C ATOM 1789 O GLN A 119 -20.997 30.515 -1.933 1.00 0.00 O ATOM 1790 CB GLN A 119 -20.644 32.227 0.824 1.00 0.00 C ATOM 1791 CG GLN A 119 -21.975 32.749 0.278 1.00 0.00 C ATOM 1792 CD GLN A 119 -22.625 33.669 1.313 1.00 0.00 C ATOM 1793 OE1 GLN A 119 -22.619 34.875 1.160 1.00 0.00 O ATOM 1794 NE2 GLN A 119 -23.189 33.148 2.367 1.00 0.00 N ATOM 1795 OXT GLN A 119 -18.947 31.011 -1.491 1.00 0.00 O ATOM 0 H GLN A 119 -18.353 30.382 0.671 1.00 0.00 H new ATOM 0 HA GLN A 119 -21.310 30.176 0.482 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -20.648 32.260 1.914 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -19.826 32.865 0.489 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -21.811 33.291 -0.654 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -22.639 31.915 0.049 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -23.194 32.136 2.495 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -23.625 33.752 3.063 1.00 0.00 H new TER 1804 GLN A 119