USER MOD reduce.3.24.130724 H: found=0, std=0, add=1078, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1078 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 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 105 TYR OH : rot 135:sc= 1.19 USER MOD Set 2.1: A 31 ASN :FLIP amide:sc= 0.134 F(o=-1.3,f=0.3) USER MOD Set 2.2: A 33 LYS NZ :NH3+ 148:sc= 0.163 (180deg=0) USER MOD Set 3.1: A 3 GLN : amide:sc= 0 K(o=-1.6,f=-2.5) USER MOD Set 3.2: A 8 MET CE :methyl 164:sc= -1.59 (180deg=-2.52!) USER MOD Single : A 1 ALA N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.316 X(o=-0.32,f=-0.39) USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 11 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 12 GLN :FLIP amide:sc= -0.572 F(o=-1.6,f=-0.57) USER MOD Single : A 25 GLN : amide:sc= -0.219 X(o=-0.22,f=-0.028) USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 LYS NZ :NH3+ 155:sc= -0.0552 (180deg=-0.405) USER MOD Single : A 30 GLN : amide:sc=-0.00493 K(o=-0.0049,f=-0.71) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 LYS NZ :NH3+ -107:sc= -3.86! (180deg=-7.11!) USER MOD Single : A 38 TYR OH : rot 165:sc= -0.211 USER MOD Single : A 40 HIS : no HE2:sc= -10.9! C(o=-11!,f=-11!) USER MOD Single : A 49 GLN :FLIP amide:sc= -1.32 F(o=-3.7,f=-1.3) USER MOD Single : A 50 MET CE :methyl 140:sc= -3.63! (180deg=-6.13!) USER MOD Single : A 53 HIS : no HD1:sc= -3.02 K(o=-3,f=-5!) USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 MET CE :methyl 152:sc= -0.101 (180deg=-0.509) USER MOD Single : A 70 MET CE :methyl 177:sc= -6.43 (180deg=-6.45!) USER MOD Single : A 71 CYS SG : rot 116:sc= -0.155 USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 74 ASN : amide:sc= 0.255 K(o=0.25,f=-1.2) USER MOD Single : A 78 THR OG1 : rot 74:sc= 0.0727 USER MOD Single : A 81 THR OG1 : rot 180:sc= -0.339 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 GLN : amide:sc=0.000224 X(o=0.00022,f=0) USER MOD Single : A 100 CYS SG : rot 140:sc= -1.39 USER MOD Single : A 104 GLN : amide:sc= -0.0431 X(o=-0.043,f=0) USER MOD Single : A 107 GLN : amide:sc= -0.454 X(o=-0.45,f=-0.35) USER MOD Single : A 108 SER OG : rot 76:sc= 1.21 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 114 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.71) USER MOD Single : A 118 THR OG1 : rot -71:sc= 0.338 USER MOD Single : A 119 TYR OH : rot 180:sc= 0 USER MOD Single : A 121 THR OG1 : rot -129:sc= -2.48! USER MOD Single : A 123 MET CE :methyl 172:sc= -13.3! (180deg=-14!) USER MOD Single : A 125 GLN : amide:sc= -0.841 K(o=-0.84,f=-2.8!) USER MOD Single : A 126 ASN : amide:sc= -0.651 K(o=-0.65,f=-3.7!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= -0.0248 (180deg=-0.0248) USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 -5.884 27.135 3.273 1.00 0.00 N ATOM 2 CA ALA A 1 -4.554 26.548 2.967 1.00 0.00 C ATOM 3 C ALA A 1 -4.533 25.052 3.267 1.00 0.00 C ATOM 4 O ALA A 1 -4.472 24.640 4.426 1.00 0.00 O ATOM 5 CB ALA A 1 -3.469 27.263 3.757 1.00 0.00 C ATOM 0 H1 ALA A 1 -5.871 28.153 3.060 1.00 0.00 H new ATOM 0 H2 ALA A 1 -6.611 26.669 2.693 1.00 0.00 H new ATOM 0 H3 ALA A 1 -6.102 26.995 4.280 1.00 0.00 H new ATOM 0 HA ALA A 1 -4.360 26.681 1.903 1.00 0.00 H new ATOM 0 HB1 ALA A 1 -2.499 26.823 3.524 1.00 0.00 H new ATOM 0 HB2 ALA A 1 -3.462 28.320 3.491 1.00 0.00 H new ATOM 0 HB3 ALA A 1 -3.667 27.159 4.824 1.00 0.00 H new ATOM 13 N ARG A 2 -4.588 24.245 2.213 1.00 0.00 N ATOM 14 CA ARG A 2 -4.578 22.793 2.358 1.00 0.00 C ATOM 15 C ARG A 2 -3.222 22.300 2.845 1.00 0.00 C ATOM 16 O ARG A 2 -3.108 21.726 3.927 1.00 0.00 O ATOM 17 CB ARG A 2 -4.927 22.127 1.024 1.00 0.00 C ATOM 18 CG ARG A 2 -6.250 22.591 0.437 1.00 0.00 C ATOM 19 CD ARG A 2 -6.066 23.783 -0.489 1.00 0.00 C ATOM 20 NE ARG A 2 -6.569 23.514 -1.835 1.00 0.00 N ATOM 21 CZ ARG A 2 -6.319 24.289 -2.889 1.00 0.00 C ATOM 22 NH1 ARG A 2 -5.572 25.379 -2.758 1.00 0.00 N ATOM 23 NH2 ARG A 2 -6.815 23.972 -4.077 1.00 0.00 N ATOM 0 H ARG A 2 -4.640 24.572 1.248 1.00 0.00 H new ATOM 0 HA ARG A 2 -5.328 22.523 3.102 1.00 0.00 H new ATOM 0 HB2 ARG A 2 -4.131 22.330 0.308 1.00 0.00 H new ATOM 0 HB3 ARG A 2 -4.961 21.047 1.165 1.00 0.00 H new ATOM 0 HG2 ARG A 2 -6.712 21.771 -0.113 1.00 0.00 H new ATOM 0 HG3 ARG A 2 -6.932 22.859 1.244 1.00 0.00 H new ATOM 0 HD2 ARG A 2 -6.584 24.648 -0.074 1.00 0.00 H new ATOM 0 HD3 ARG A 2 -5.008 24.041 -0.542 1.00 0.00 H new ATOM 0 HE ARG A 2 -7.145 22.684 -1.975 1.00 0.00 H new ATOM 0 HH11 ARG A 2 -5.186 25.626 -1.847 1.00 0.00 H new ATOM 0 HH12 ARG A 2 -5.384 25.969 -3.569 1.00 0.00 H new ATOM 0 HH21 ARG A 2 -7.388 23.135 -4.184 1.00 0.00 H new ATOM 0 HH22 ARG A 2 -6.624 24.565 -4.884 1.00 0.00 H new ATOM 37 N GLN A 3 -2.193 22.531 2.041 1.00 0.00 N ATOM 38 CA GLN A 3 -0.841 22.114 2.393 1.00 0.00 C ATOM 39 C GLN A 3 -0.455 22.651 3.770 1.00 0.00 C ATOM 40 O GLN A 3 0.323 22.030 4.493 1.00 0.00 O ATOM 41 CB GLN A 3 0.152 22.601 1.332 1.00 0.00 C ATOM 42 CG GLN A 3 1.611 22.496 1.753 1.00 0.00 C ATOM 43 CD GLN A 3 2.437 21.656 0.799 1.00 0.00 C ATOM 44 OE1 GLN A 3 3.289 22.173 0.076 1.00 0.00 O ATOM 45 NE2 GLN A 3 2.188 20.352 0.791 1.00 0.00 N ATOM 0 H GLN A 3 -2.268 23.005 1.141 1.00 0.00 H new ATOM 0 HA GLN A 3 -0.811 21.025 2.430 1.00 0.00 H new ATOM 0 HB2 GLN A 3 0.006 22.023 0.420 1.00 0.00 H new ATOM 0 HB3 GLN A 3 -0.072 23.640 1.090 1.00 0.00 H new ATOM 0 HG2 GLN A 3 2.040 23.496 1.814 1.00 0.00 H new ATOM 0 HG3 GLN A 3 1.666 22.064 2.752 1.00 0.00 H new ATOM 0 HE21 GLN A 3 1.473 19.966 1.407 1.00 0.00 H new ATOM 0 HE22 GLN A 3 2.712 19.737 0.169 1.00 0.00 H new ATOM 54 N GLN A 4 -1.007 23.802 4.126 1.00 0.00 N ATOM 55 CA GLN A 4 -0.726 24.418 5.415 1.00 0.00 C ATOM 56 C GLN A 4 -1.341 23.605 6.553 1.00 0.00 C ATOM 57 O GLN A 4 -0.706 23.389 7.584 1.00 0.00 O ATOM 58 CB GLN A 4 -1.261 25.849 5.450 1.00 0.00 C ATOM 59 CG GLN A 4 -0.864 26.618 6.700 1.00 0.00 C ATOM 60 CD GLN A 4 0.632 26.604 6.947 1.00 0.00 C ATOM 61 OE1 GLN A 4 1.334 27.566 6.633 1.00 0.00 O ATOM 62 NE2 GLN A 4 1.130 25.510 7.509 1.00 0.00 N ATOM 0 H GLN A 4 -1.653 24.329 3.539 1.00 0.00 H new ATOM 0 HA GLN A 4 0.355 24.439 5.549 1.00 0.00 H new ATOM 0 HB2 GLN A 4 -0.898 26.385 4.573 1.00 0.00 H new ATOM 0 HB3 GLN A 4 -2.348 25.823 5.380 1.00 0.00 H new ATOM 0 HG2 GLN A 4 -1.203 27.650 6.609 1.00 0.00 H new ATOM 0 HG3 GLN A 4 -1.374 26.189 7.562 1.00 0.00 H new ATOM 0 HE21 GLN A 4 0.512 24.736 7.753 1.00 0.00 H new ATOM 0 HE22 GLN A 4 2.130 25.443 7.697 1.00 0.00 H new ATOM 71 N GLU A 5 -2.581 23.159 6.361 1.00 0.00 N ATOM 72 CA GLU A 5 -3.270 22.375 7.381 1.00 0.00 C ATOM 73 C GLU A 5 -2.651 20.990 7.513 1.00 0.00 C ATOM 74 O GLU A 5 -2.488 20.473 8.620 1.00 0.00 O ATOM 75 CB GLU A 5 -4.765 22.266 7.065 1.00 0.00 C ATOM 76 CG GLU A 5 -5.081 21.520 5.779 1.00 0.00 C ATOM 77 CD GLU A 5 -6.486 20.947 5.770 1.00 0.00 C ATOM 78 OE1 GLU A 5 -7.450 21.739 5.804 1.00 0.00 O ATOM 79 OE2 GLU A 5 -6.620 19.707 5.730 1.00 0.00 O ATOM 0 H GLU A 5 -3.125 23.326 5.515 1.00 0.00 H new ATOM 0 HA GLU A 5 -3.157 22.891 8.334 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -5.264 21.764 7.894 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -5.185 23.270 7.001 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -4.962 22.196 4.932 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -4.362 20.712 5.645 1.00 0.00 H new ATOM 86 N ILE A 6 -2.289 20.404 6.383 1.00 0.00 N ATOM 87 CA ILE A 6 -1.666 19.091 6.368 1.00 0.00 C ATOM 88 C ILE A 6 -0.216 19.210 6.788 1.00 0.00 C ATOM 89 O ILE A 6 0.229 18.601 7.760 1.00 0.00 O ATOM 90 CB ILE A 6 -1.711 18.471 4.958 1.00 0.00 C ATOM 91 CG1 ILE A 6 -3.154 18.235 4.521 1.00 0.00 C ATOM 92 CG2 ILE A 6 -0.907 17.180 4.898 1.00 0.00 C ATOM 93 CD1 ILE A 6 -3.521 18.997 3.276 1.00 0.00 C ATOM 0 H ILE A 6 -2.417 20.820 5.460 1.00 0.00 H new ATOM 0 HA ILE A 6 -2.216 18.453 7.059 1.00 0.00 H new ATOM 0 HB ILE A 6 -1.254 19.177 4.265 1.00 0.00 H new ATOM 0 HG12 ILE A 6 -3.306 17.170 4.347 1.00 0.00 H new ATOM 0 HG13 ILE A 6 -3.825 18.525 5.329 1.00 0.00 H new ATOM 0 HG21 ILE A 6 -0.958 16.766 3.891 1.00 0.00 H new ATOM 0 HG22 ILE A 6 0.132 17.386 5.154 1.00 0.00 H new ATOM 0 HG23 ILE A 6 -1.319 16.461 5.607 1.00 0.00 H new ATOM 0 HD11 ILE A 6 -4.559 18.789 3.015 1.00 0.00 H new ATOM 0 HD12 ILE A 6 -3.399 20.065 3.454 1.00 0.00 H new ATOM 0 HD13 ILE A 6 -2.872 18.689 2.456 1.00 0.00 H new ATOM 105 N ASP A 7 0.509 20.007 6.022 1.00 0.00 N ATOM 106 CA ASP A 7 1.926 20.246 6.256 1.00 0.00 C ATOM 107 C ASP A 7 2.660 18.956 6.624 1.00 0.00 C ATOM 108 O ASP A 7 3.073 18.768 7.768 1.00 0.00 O ATOM 109 CB ASP A 7 2.115 21.289 7.359 1.00 0.00 C ATOM 110 CG ASP A 7 3.421 22.046 7.222 1.00 0.00 C ATOM 111 OD1 ASP A 7 3.659 22.632 6.146 1.00 0.00 O ATOM 112 OD2 ASP A 7 4.209 22.052 8.193 1.00 0.00 O ATOM 0 H ASP A 7 0.132 20.509 5.218 1.00 0.00 H new ATOM 0 HA ASP A 7 2.354 20.624 5.328 1.00 0.00 H new ATOM 0 HB2 ASP A 7 1.285 21.995 7.334 1.00 0.00 H new ATOM 0 HB3 ASP A 7 2.084 20.796 8.331 1.00 0.00 H new ATOM 117 N MET A 8 2.813 18.070 5.645 1.00 0.00 N ATOM 118 CA MET A 8 3.492 16.797 5.864 1.00 0.00 C ATOM 119 C MET A 8 4.915 17.011 6.371 1.00 0.00 C ATOM 120 O MET A 8 5.305 16.467 7.404 1.00 0.00 O ATOM 121 CB MET A 8 3.513 15.975 4.573 1.00 0.00 C ATOM 122 CG MET A 8 4.005 16.750 3.361 1.00 0.00 C ATOM 123 SD MET A 8 3.125 16.309 1.852 1.00 0.00 S ATOM 124 CE MET A 8 1.506 16.997 2.191 1.00 0.00 C ATOM 0 H MET A 8 2.476 18.210 4.692 1.00 0.00 H new ATOM 0 HA MET A 8 2.938 16.249 6.626 1.00 0.00 H new ATOM 0 HB2 MET A 8 4.151 15.103 4.719 1.00 0.00 H new ATOM 0 HB3 MET A 8 2.508 15.605 4.372 1.00 0.00 H new ATOM 0 HG2 MET A 8 3.889 17.818 3.546 1.00 0.00 H new ATOM 0 HG3 MET A 8 5.070 16.564 3.223 1.00 0.00 H new ATOM 0 HE1 MET A 8 0.937 17.063 1.264 1.00 0.00 H new ATOM 0 HE2 MET A 8 0.978 16.355 2.896 1.00 0.00 H new ATOM 0 HE3 MET A 8 1.616 17.993 2.620 1.00 0.00 H new ATOM 134 N LYS A 9 5.684 17.808 5.639 1.00 0.00 N ATOM 135 CA LYS A 9 7.067 18.097 6.011 1.00 0.00 C ATOM 136 C LYS A 9 7.848 16.812 6.279 1.00 0.00 C ATOM 137 O LYS A 9 8.522 16.682 7.301 1.00 0.00 O ATOM 138 CB LYS A 9 7.100 19.004 7.244 1.00 0.00 C ATOM 139 CG LYS A 9 7.278 20.476 6.912 1.00 0.00 C ATOM 140 CD LYS A 9 8.007 21.214 8.024 1.00 0.00 C ATOM 141 CE LYS A 9 8.796 22.396 7.485 1.00 0.00 C ATOM 142 NZ LYS A 9 10.245 22.084 7.351 1.00 0.00 N ATOM 0 H LYS A 9 5.374 18.267 4.783 1.00 0.00 H new ATOM 0 HA LYS A 9 7.543 18.611 5.176 1.00 0.00 H new ATOM 0 HB2 LYS A 9 6.174 18.876 7.804 1.00 0.00 H new ATOM 0 HB3 LYS A 9 7.913 18.686 7.897 1.00 0.00 H new ATOM 0 HG2 LYS A 9 7.836 20.575 5.981 1.00 0.00 H new ATOM 0 HG3 LYS A 9 6.302 20.934 6.749 1.00 0.00 H new ATOM 0 HD2 LYS A 9 7.286 21.563 8.763 1.00 0.00 H new ATOM 0 HD3 LYS A 9 8.682 20.528 8.536 1.00 0.00 H new ATOM 0 HE2 LYS A 9 8.396 22.686 6.513 1.00 0.00 H new ATOM 0 HE3 LYS A 9 8.669 23.250 8.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 10.747 22.916 6.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 10.633 21.832 8.282 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 10.369 21.285 6.696 1.00 0.00 H new ATOM 156 N ARG A 10 7.752 15.862 5.351 1.00 0.00 N ATOM 157 CA ARG A 10 8.452 14.588 5.490 1.00 0.00 C ATOM 158 C ARG A 10 8.838 14.023 4.126 1.00 0.00 C ATOM 159 O ARG A 10 8.742 14.710 3.109 1.00 0.00 O ATOM 160 CB ARG A 10 7.581 13.585 6.250 1.00 0.00 C ATOM 161 CG ARG A 10 8.115 13.241 7.632 1.00 0.00 C ATOM 162 CD ARG A 10 7.072 12.517 8.468 1.00 0.00 C ATOM 163 NE ARG A 10 7.167 12.867 9.883 1.00 0.00 N ATOM 164 CZ ARG A 10 6.772 14.035 10.386 1.00 0.00 C ATOM 165 NH1 ARG A 10 6.255 14.966 9.593 1.00 0.00 N ATOM 166 NH2 ARG A 10 6.895 14.273 11.684 1.00 0.00 N ATOM 0 H ARG A 10 7.199 15.950 4.499 1.00 0.00 H new ATOM 0 HA ARG A 10 9.367 14.764 6.056 1.00 0.00 H new ATOM 0 HB2 ARG A 10 6.575 13.992 6.349 1.00 0.00 H new ATOM 0 HB3 ARG A 10 7.498 12.670 5.663 1.00 0.00 H new ATOM 0 HG2 ARG A 10 9.003 12.616 7.535 1.00 0.00 H new ATOM 0 HG3 ARG A 10 8.422 14.154 8.142 1.00 0.00 H new ATOM 0 HD2 ARG A 10 6.076 12.764 8.099 1.00 0.00 H new ATOM 0 HD3 ARG A 10 7.197 11.441 8.351 1.00 0.00 H new ATOM 0 HE ARG A 10 7.559 12.176 10.523 1.00 0.00 H new ATOM 0 HH11 ARG A 10 6.159 14.788 8.593 1.00 0.00 H new ATOM 0 HH12 ARG A 10 5.954 15.859 9.984 1.00 0.00 H new ATOM 0 HH21 ARG A 10 7.292 13.562 12.298 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.592 15.168 12.069 1.00 0.00 H new ATOM 180 N GLN A 11 9.280 12.769 4.114 1.00 0.00 N ATOM 181 CA GLN A 11 9.685 12.113 2.877 1.00 0.00 C ATOM 182 C GLN A 11 8.539 11.293 2.289 1.00 0.00 C ATOM 183 O GLN A 11 7.506 11.101 2.929 1.00 0.00 O ATOM 184 CB GLN A 11 10.899 11.213 3.127 1.00 0.00 C ATOM 185 CG GLN A 11 12.177 11.722 2.481 1.00 0.00 C ATOM 186 CD GLN A 11 12.853 12.805 3.298 1.00 0.00 C ATOM 187 OE1 GLN A 11 12.488 13.978 3.218 1.00 0.00 O ATOM 188 NE2 GLN A 11 13.844 12.416 4.090 1.00 0.00 N ATOM 0 H GLN A 11 9.367 12.187 4.948 1.00 0.00 H new ATOM 0 HA GLN A 11 9.955 12.887 2.158 1.00 0.00 H new ATOM 0 HB2 GLN A 11 11.057 11.120 4.202 1.00 0.00 H new ATOM 0 HB3 GLN A 11 10.684 10.214 2.749 1.00 0.00 H new ATOM 0 HG2 GLN A 11 12.868 10.890 2.346 1.00 0.00 H new ATOM 0 HG3 GLN A 11 11.948 12.110 1.489 1.00 0.00 H new ATOM 0 HE21 GLN A 11 14.113 11.433 4.125 1.00 0.00 H new ATOM 0 HE22 GLN A 11 14.337 13.100 4.664 1.00 0.00 H new ATOM 197 N GLN A 12 8.734 10.814 1.065 1.00 0.00 N ATOM 198 CA GLN A 12 7.724 10.014 0.381 1.00 0.00 C ATOM 199 C GLN A 12 8.337 8.746 -0.203 1.00 0.00 C ATOM 200 O GLN A 12 8.998 8.789 -1.241 1.00 0.00 O ATOM 201 CB GLN A 12 7.070 10.832 -0.733 1.00 0.00 C ATOM 202 CG GLN A 12 5.863 11.633 -0.272 1.00 0.00 C ATOM 203 CD GLN A 12 6.253 12.928 0.417 1.00 0.00 C ATOM 204 OE1 GLN A 12 6.135 12.953 1.738 1.00 0.00 O flip ATOM 205 NE2 GLN A 12 6.655 13.892 -0.233 1.00 0.00 N flip ATOM 0 H GLN A 12 9.585 10.967 0.524 1.00 0.00 H new ATOM 0 HA GLN A 12 6.967 9.728 1.111 1.00 0.00 H new ATOM 0 HB2 GLN A 12 7.809 11.514 -1.153 1.00 0.00 H new ATOM 0 HB3 GLN A 12 6.765 10.160 -1.535 1.00 0.00 H new ATOM 0 HG2 GLN A 12 5.231 11.858 -1.131 1.00 0.00 H new ATOM 0 HG3 GLN A 12 5.268 11.027 0.411 1.00 0.00 H new ATOM 0 HE21 GLN A 12 6.730 13.827 -1.248 1.00 0.00 H new ATOM 0 HE22 GLN A 12 6.914 14.756 0.243 1.00 0.00 H new ATOM 214 N ARG A 13 8.115 7.620 0.466 1.00 0.00 N ATOM 215 CA ARG A 13 8.649 6.343 0.003 1.00 0.00 C ATOM 216 C ARG A 13 7.530 5.332 -0.223 1.00 0.00 C ATOM 217 O ARG A 13 6.719 5.074 0.667 1.00 0.00 O ATOM 218 CB ARG A 13 9.653 5.781 1.011 1.00 0.00 C ATOM 219 CG ARG A 13 10.761 6.752 1.386 1.00 0.00 C ATOM 220 CD ARG A 13 12.132 6.101 1.282 1.00 0.00 C ATOM 221 NE ARG A 13 13.060 6.608 2.291 1.00 0.00 N ATOM 222 CZ ARG A 13 13.811 7.696 2.131 1.00 0.00 C ATOM 223 NH1 ARG A 13 13.738 8.406 1.011 1.00 0.00 N ATOM 224 NH2 ARG A 13 14.635 8.079 3.098 1.00 0.00 N ATOM 0 H ARG A 13 7.571 7.565 1.327 1.00 0.00 H new ATOM 0 HA ARG A 13 9.157 6.521 -0.945 1.00 0.00 H new ATOM 0 HB2 ARG A 13 9.119 5.488 1.915 1.00 0.00 H new ATOM 0 HB3 ARG A 13 10.100 4.877 0.598 1.00 0.00 H new ATOM 0 HG2 ARG A 13 10.720 7.623 0.732 1.00 0.00 H new ATOM 0 HG3 ARG A 13 10.603 7.110 2.403 1.00 0.00 H new ATOM 0 HD2 ARG A 13 12.030 5.022 1.394 1.00 0.00 H new ATOM 0 HD3 ARG A 13 12.544 6.281 0.289 1.00 0.00 H new ATOM 0 HE ARG A 13 13.137 6.098 3.171 1.00 0.00 H new ATOM 0 HH11 ARG A 13 13.103 8.119 0.266 1.00 0.00 H new ATOM 0 HH12 ARG A 13 14.317 9.238 0.896 1.00 0.00 H new ATOM 0 HH21 ARG A 13 14.692 7.540 3.962 1.00 0.00 H new ATOM 0 HH22 ARG A 13 15.211 8.912 2.977 1.00 0.00 H new ATOM 238 N PHE A 14 7.501 4.756 -1.419 1.00 0.00 N ATOM 239 CA PHE A 14 6.493 3.763 -1.771 1.00 0.00 C ATOM 240 C PHE A 14 7.135 2.385 -1.860 1.00 0.00 C ATOM 241 O PHE A 14 8.218 2.237 -2.425 1.00 0.00 O ATOM 242 CB PHE A 14 5.828 4.140 -3.097 1.00 0.00 C ATOM 243 CG PHE A 14 5.514 5.606 -3.197 1.00 0.00 C ATOM 244 CD1 PHE A 14 6.525 6.528 -3.415 1.00 0.00 C ATOM 245 CD2 PHE A 14 4.214 6.063 -3.057 1.00 0.00 C ATOM 246 CE1 PHE A 14 6.246 7.879 -3.494 1.00 0.00 C ATOM 247 CE2 PHE A 14 3.929 7.413 -3.132 1.00 0.00 C ATOM 248 CZ PHE A 14 4.946 8.322 -3.351 1.00 0.00 C ATOM 0 H PHE A 14 8.167 4.961 -2.164 1.00 0.00 H new ATOM 0 HA PHE A 14 5.725 3.738 -0.998 1.00 0.00 H new ATOM 0 HB2 PHE A 14 6.484 3.857 -3.920 1.00 0.00 H new ATOM 0 HB3 PHE A 14 4.907 3.568 -3.212 1.00 0.00 H new ATOM 0 HD1 PHE A 14 7.544 6.187 -3.525 1.00 0.00 H new ATOM 0 HD2 PHE A 14 3.415 5.357 -2.887 1.00 0.00 H new ATOM 0 HE1 PHE A 14 7.043 8.587 -3.667 1.00 0.00 H new ATOM 0 HE2 PHE A 14 2.912 7.757 -3.019 1.00 0.00 H new ATOM 0 HZ PHE A 14 4.725 9.377 -3.410 1.00 0.00 H new ATOM 258 N PHE A 15 6.486 1.383 -1.276 1.00 0.00 N ATOM 259 CA PHE A 15 7.038 0.033 -1.275 1.00 0.00 C ATOM 260 C PHE A 15 6.018 -1.016 -1.705 1.00 0.00 C ATOM 261 O PHE A 15 4.811 -0.843 -1.537 1.00 0.00 O ATOM 262 CB PHE A 15 7.579 -0.307 0.115 1.00 0.00 C ATOM 263 CG PHE A 15 8.386 0.802 0.728 1.00 0.00 C ATOM 264 CD1 PHE A 15 7.765 1.960 1.171 1.00 0.00 C ATOM 265 CD2 PHE A 15 9.761 0.693 0.855 1.00 0.00 C ATOM 266 CE1 PHE A 15 8.501 2.987 1.728 1.00 0.00 C ATOM 267 CE2 PHE A 15 10.503 1.717 1.414 1.00 0.00 C ATOM 268 CZ PHE A 15 9.872 2.867 1.850 1.00 0.00 C ATOM 0 H PHE A 15 5.588 1.478 -0.802 1.00 0.00 H new ATOM 0 HA PHE A 15 7.847 0.015 -2.005 1.00 0.00 H new ATOM 0 HB2 PHE A 15 6.744 -0.546 0.774 1.00 0.00 H new ATOM 0 HB3 PHE A 15 8.197 -1.202 0.047 1.00 0.00 H new ATOM 0 HD1 PHE A 15 6.694 2.060 1.079 1.00 0.00 H new ATOM 0 HD2 PHE A 15 10.259 -0.202 0.513 1.00 0.00 H new ATOM 0 HE1 PHE A 15 8.005 3.884 2.068 1.00 0.00 H new ATOM 0 HE2 PHE A 15 11.574 1.619 1.510 1.00 0.00 H new ATOM 0 HZ PHE A 15 10.449 3.670 2.285 1.00 0.00 H new ATOM 278 N ARG A 16 6.536 -2.112 -2.248 1.00 0.00 N ATOM 279 CA ARG A 16 5.716 -3.227 -2.702 1.00 0.00 C ATOM 280 C ARG A 16 6.461 -4.536 -2.474 1.00 0.00 C ATOM 281 O ARG A 16 7.681 -4.595 -2.632 1.00 0.00 O ATOM 282 CB ARG A 16 5.376 -3.076 -4.185 1.00 0.00 C ATOM 283 CG ARG A 16 4.378 -4.107 -4.691 1.00 0.00 C ATOM 284 CD ARG A 16 4.538 -4.350 -6.184 1.00 0.00 C ATOM 285 NE ARG A 16 4.684 -5.770 -6.494 1.00 0.00 N ATOM 286 CZ ARG A 16 4.889 -6.242 -7.722 1.00 0.00 C ATOM 287 NH1 ARG A 16 4.970 -5.411 -8.755 1.00 0.00 N ATOM 288 NH2 ARG A 16 5.015 -7.547 -7.918 1.00 0.00 N ATOM 0 H ARG A 16 7.537 -2.252 -2.386 1.00 0.00 H new ATOM 0 HA ARG A 16 4.787 -3.233 -2.132 1.00 0.00 H new ATOM 0 HB2 ARG A 16 4.973 -2.078 -4.357 1.00 0.00 H new ATOM 0 HB3 ARG A 16 6.293 -3.154 -4.769 1.00 0.00 H new ATOM 0 HG2 ARG A 16 4.516 -5.044 -4.152 1.00 0.00 H new ATOM 0 HG3 ARG A 16 3.364 -3.766 -4.483 1.00 0.00 H new ATOM 0 HD2 ARG A 16 3.672 -3.951 -6.711 1.00 0.00 H new ATOM 0 HD3 ARG A 16 5.411 -3.808 -6.548 1.00 0.00 H new ATOM 0 HE ARG A 16 4.626 -6.438 -5.726 1.00 0.00 H new ATOM 0 HH11 ARG A 16 4.875 -4.406 -8.610 1.00 0.00 H new ATOM 0 HH12 ARG A 16 5.127 -5.778 -9.694 1.00 0.00 H new ATOM 0 HH21 ARG A 16 4.955 -8.190 -7.128 1.00 0.00 H new ATOM 0 HH22 ARG A 16 5.172 -7.909 -8.859 1.00 0.00 H new ATOM 302 N ILE A 17 5.737 -5.582 -2.094 1.00 0.00 N ATOM 303 CA ILE A 17 6.367 -6.873 -1.841 1.00 0.00 C ATOM 304 C ILE A 17 5.406 -8.031 -2.109 1.00 0.00 C ATOM 305 O ILE A 17 4.400 -8.186 -1.415 1.00 0.00 O ATOM 306 CB ILE A 17 6.903 -6.982 -0.390 1.00 0.00 C ATOM 307 CG1 ILE A 17 6.404 -5.814 0.471 1.00 0.00 C ATOM 308 CG2 ILE A 17 8.424 -7.031 -0.394 1.00 0.00 C ATOM 309 CD1 ILE A 17 7.063 -5.733 1.832 1.00 0.00 C ATOM 0 H ILE A 17 4.727 -5.564 -1.956 1.00 0.00 H new ATOM 0 HA ILE A 17 7.208 -6.940 -2.531 1.00 0.00 H new ATOM 0 HB ILE A 17 6.523 -7.906 0.046 1.00 0.00 H new ATOM 0 HG12 ILE A 17 6.579 -4.880 -0.063 1.00 0.00 H new ATOM 0 HG13 ILE A 17 5.326 -5.908 0.604 1.00 0.00 H new ATOM 0 HG21 ILE A 17 8.788 -7.107 0.630 1.00 0.00 H new ATOM 0 HG22 ILE A 17 8.759 -7.898 -0.964 1.00 0.00 H new ATOM 0 HG23 ILE A 17 8.816 -6.123 -0.852 1.00 0.00 H new ATOM 0 HD11 ILE A 17 6.659 -4.883 2.382 1.00 0.00 H new ATOM 0 HD12 ILE A 17 6.866 -6.651 2.387 1.00 0.00 H new ATOM 0 HD13 ILE A 17 8.139 -5.607 1.709 1.00 0.00 H new ATOM 321 N PRO A 18 5.709 -8.864 -3.123 1.00 0.00 N ATOM 322 CA PRO A 18 4.881 -10.010 -3.481 1.00 0.00 C ATOM 323 C PRO A 18 5.258 -11.256 -2.687 1.00 0.00 C ATOM 324 O PRO A 18 6.210 -11.956 -3.033 1.00 0.00 O ATOM 325 CB PRO A 18 5.212 -10.203 -4.956 1.00 0.00 C ATOM 326 CG PRO A 18 6.645 -9.802 -5.070 1.00 0.00 C ATOM 327 CD PRO A 18 6.888 -8.756 -4.004 1.00 0.00 C ATOM 0 HA PRO A 18 3.823 -9.848 -3.274 1.00 0.00 H new ATOM 0 HB2 PRO A 18 5.063 -11.238 -5.265 1.00 0.00 H new ATOM 0 HB3 PRO A 18 4.575 -9.586 -5.590 1.00 0.00 H new ATOM 0 HG2 PRO A 18 7.300 -10.661 -4.926 1.00 0.00 H new ATOM 0 HG3 PRO A 18 6.857 -9.401 -6.061 1.00 0.00 H new ATOM 0 HD2 PRO A 18 7.812 -8.948 -3.459 1.00 0.00 H new ATOM 0 HD3 PRO A 18 6.974 -7.759 -4.435 1.00 0.00 H new ATOM 335 N PHE A 19 4.513 -11.532 -1.622 1.00 0.00 N ATOM 336 CA PHE A 19 4.788 -12.699 -0.791 1.00 0.00 C ATOM 337 C PHE A 19 3.624 -13.681 -0.824 1.00 0.00 C ATOM 338 O PHE A 19 2.459 -13.284 -0.770 1.00 0.00 O ATOM 339 CB PHE A 19 5.085 -12.276 0.651 1.00 0.00 C ATOM 340 CG PHE A 19 3.944 -11.569 1.325 1.00 0.00 C ATOM 341 CD1 PHE A 19 2.916 -12.287 1.914 1.00 0.00 C ATOM 342 CD2 PHE A 19 3.906 -10.184 1.377 1.00 0.00 C ATOM 343 CE1 PHE A 19 1.869 -11.637 2.539 1.00 0.00 C ATOM 344 CE2 PHE A 19 2.861 -9.529 2.002 1.00 0.00 C ATOM 345 CZ PHE A 19 1.843 -10.256 2.584 1.00 0.00 C ATOM 0 H PHE A 19 3.720 -10.969 -1.315 1.00 0.00 H new ATOM 0 HA PHE A 19 5.667 -13.199 -1.197 1.00 0.00 H new ATOM 0 HB2 PHE A 19 5.346 -13.160 1.232 1.00 0.00 H new ATOM 0 HB3 PHE A 19 5.958 -11.623 0.655 1.00 0.00 H new ATOM 0 HD1 PHE A 19 2.933 -13.366 1.884 1.00 0.00 H new ATOM 0 HD2 PHE A 19 4.701 -9.611 0.924 1.00 0.00 H new ATOM 0 HE1 PHE A 19 1.072 -12.208 2.992 1.00 0.00 H new ATOM 0 HE2 PHE A 19 2.842 -8.450 2.035 1.00 0.00 H new ATOM 0 HZ PHE A 19 1.027 -9.746 3.074 1.00 0.00 H new ATOM 355 N ILE A 20 3.951 -14.964 -0.917 1.00 0.00 N ATOM 356 CA ILE A 20 2.938 -16.009 -0.963 1.00 0.00 C ATOM 357 C ILE A 20 2.389 -16.310 0.426 1.00 0.00 C ATOM 358 O ILE A 20 3.114 -16.246 1.419 1.00 0.00 O ATOM 359 CB ILE A 20 3.499 -17.313 -1.565 1.00 0.00 C ATOM 360 CG1 ILE A 20 4.273 -17.021 -2.850 1.00 0.00 C ATOM 361 CG2 ILE A 20 2.377 -18.296 -1.838 1.00 0.00 C ATOM 362 CD1 ILE A 20 4.992 -18.229 -3.406 1.00 0.00 C ATOM 0 H ILE A 20 4.911 -15.305 -0.962 1.00 0.00 H new ATOM 0 HA ILE A 20 2.135 -15.635 -1.598 1.00 0.00 H new ATOM 0 HB ILE A 20 4.183 -17.758 -0.843 1.00 0.00 H new ATOM 0 HG12 ILE A 20 3.583 -16.640 -3.603 1.00 0.00 H new ATOM 0 HG13 ILE A 20 5.000 -16.232 -2.656 1.00 0.00 H new ATOM 0 HG21 ILE A 20 2.790 -19.211 -2.263 1.00 0.00 H new ATOM 0 HG22 ILE A 20 1.862 -18.529 -0.906 1.00 0.00 H new ATOM 0 HG23 ILE A 20 1.671 -17.856 -2.542 1.00 0.00 H new ATOM 0 HD11 ILE A 20 5.520 -17.950 -4.318 1.00 0.00 H new ATOM 0 HD12 ILE A 20 5.707 -18.597 -2.670 1.00 0.00 H new ATOM 0 HD13 ILE A 20 4.268 -19.012 -3.631 1.00 0.00 H new ATOM 374 N ARG A 21 1.105 -16.643 0.486 1.00 0.00 N ATOM 375 CA ARG A 21 0.458 -16.961 1.753 1.00 0.00 C ATOM 376 C ARG A 21 1.005 -18.271 2.317 1.00 0.00 C ATOM 377 O ARG A 21 1.281 -19.208 1.568 1.00 0.00 O ATOM 378 CB ARG A 21 -1.057 -17.061 1.562 1.00 0.00 C ATOM 379 CG ARG A 21 -1.835 -16.005 2.329 1.00 0.00 C ATOM 380 CD ARG A 21 -3.220 -16.500 2.708 1.00 0.00 C ATOM 381 NE ARG A 21 -3.519 -16.267 4.120 1.00 0.00 N ATOM 382 CZ ARG A 21 -4.732 -16.400 4.652 1.00 0.00 C ATOM 383 NH1 ARG A 21 -5.761 -16.758 3.894 1.00 0.00 N ATOM 384 NH2 ARG A 21 -4.916 -16.171 5.945 1.00 0.00 N ATOM 0 H ARG A 21 0.492 -16.700 -0.327 1.00 0.00 H new ATOM 0 HA ARG A 21 0.671 -16.161 2.462 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -1.288 -16.972 0.501 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -1.391 -18.049 1.879 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -1.286 -15.730 3.230 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -1.923 -15.104 1.722 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -3.966 -15.997 2.092 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -3.295 -17.566 2.493 1.00 0.00 H new ATOM 0 HE ARG A 21 -2.754 -15.986 4.733 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -5.625 -16.933 2.898 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -6.688 -16.858 4.307 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -4.129 -15.893 6.531 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -5.845 -16.273 6.354 1.00 0.00 H new ATOM 398 N PRO A 22 1.173 -18.356 3.648 1.00 0.00 N ATOM 399 CA PRO A 22 1.692 -19.563 4.302 1.00 0.00 C ATOM 400 C PRO A 22 0.829 -20.787 4.021 1.00 0.00 C ATOM 401 O PRO A 22 1.330 -21.836 3.612 1.00 0.00 O ATOM 402 CB PRO A 22 1.664 -19.216 5.796 1.00 0.00 C ATOM 403 CG PRO A 22 0.742 -18.049 5.910 1.00 0.00 C ATOM 404 CD PRO A 22 0.871 -17.294 4.620 1.00 0.00 C ATOM 0 HA PRO A 22 2.686 -19.823 3.938 1.00 0.00 H new ATOM 0 HB2 PRO A 22 1.308 -20.058 6.389 1.00 0.00 H new ATOM 0 HB3 PRO A 22 2.661 -18.968 6.161 1.00 0.00 H new ATOM 0 HG2 PRO A 22 -0.285 -18.377 6.069 1.00 0.00 H new ATOM 0 HG3 PRO A 22 1.011 -17.420 6.759 1.00 0.00 H new ATOM 0 HD2 PRO A 22 -0.048 -16.765 4.368 1.00 0.00 H new ATOM 0 HD3 PRO A 22 1.666 -16.549 4.665 1.00 0.00 H new ATOM 412 N ALA A 23 -0.471 -20.646 4.242 1.00 0.00 N ATOM 413 CA ALA A 23 -1.406 -21.739 4.015 1.00 0.00 C ATOM 414 C ALA A 23 -1.294 -22.268 2.593 1.00 0.00 C ATOM 415 O ALA A 23 -1.019 -23.449 2.376 1.00 0.00 O ATOM 416 CB ALA A 23 -2.830 -21.281 4.298 1.00 0.00 C ATOM 0 H ALA A 23 -0.902 -19.785 4.578 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.153 -22.550 4.698 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -3.519 -22.107 4.125 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.908 -20.955 5.335 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -3.084 -20.452 3.637 1.00 0.00 H new ATOM 422 N ASP A 24 -1.505 -21.383 1.628 1.00 0.00 N ATOM 423 CA ASP A 24 -1.428 -21.748 0.219 1.00 0.00 C ATOM 424 C ASP A 24 -0.006 -22.151 -0.165 1.00 0.00 C ATOM 425 O ASP A 24 0.200 -22.975 -1.059 1.00 0.00 O ATOM 426 CB ASP A 24 -1.892 -20.580 -0.653 1.00 0.00 C ATOM 427 CG ASP A 24 -3.332 -20.195 -0.385 1.00 0.00 C ATOM 428 OD1 ASP A 24 -3.665 -19.919 0.788 1.00 0.00 O ATOM 429 OD2 ASP A 24 -4.129 -20.167 -1.346 1.00 0.00 O ATOM 0 H ASP A 24 -1.732 -20.403 1.796 1.00 0.00 H new ATOM 0 HA ASP A 24 -2.083 -22.603 0.054 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.249 -19.718 -0.473 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -1.780 -20.848 -1.704 1.00 0.00 H new ATOM 434 N GLN A 25 0.970 -21.558 0.519 1.00 0.00 N ATOM 435 CA GLN A 25 2.379 -21.836 0.260 1.00 0.00 C ATOM 436 C GLN A 25 2.672 -23.333 0.323 1.00 0.00 C ATOM 437 O GLN A 25 3.199 -23.912 -0.627 1.00 0.00 O ATOM 438 CB GLN A 25 3.253 -21.069 1.266 1.00 0.00 C ATOM 439 CG GLN A 25 4.566 -21.754 1.619 1.00 0.00 C ATOM 440 CD GLN A 25 5.678 -20.765 1.915 1.00 0.00 C ATOM 441 OE1 GLN A 25 6.298 -20.810 2.976 1.00 0.00 O ATOM 442 NE2 GLN A 25 5.934 -19.866 0.973 1.00 0.00 N ATOM 0 H GLN A 25 0.808 -20.878 1.261 1.00 0.00 H new ATOM 0 HA GLN A 25 2.616 -21.499 -0.749 1.00 0.00 H new ATOM 0 HB2 GLN A 25 3.472 -20.082 0.858 1.00 0.00 H new ATOM 0 HB3 GLN A 25 2.681 -20.916 2.181 1.00 0.00 H new ATOM 0 HG2 GLN A 25 4.415 -22.396 2.487 1.00 0.00 H new ATOM 0 HG3 GLN A 25 4.868 -22.399 0.794 1.00 0.00 H new ATOM 0 HE21 GLN A 25 5.394 -19.866 0.108 1.00 0.00 H new ATOM 0 HE22 GLN A 25 6.671 -19.175 1.114 1.00 0.00 H new ATOM 451 N TYR A 26 2.339 -23.948 1.447 1.00 0.00 N ATOM 452 CA TYR A 26 2.583 -25.377 1.629 1.00 0.00 C ATOM 453 C TYR A 26 1.358 -26.217 1.268 1.00 0.00 C ATOM 454 O TYR A 26 1.424 -27.446 1.270 1.00 0.00 O ATOM 455 CB TYR A 26 3.014 -25.676 3.068 1.00 0.00 C ATOM 456 CG TYR A 26 2.276 -24.872 4.112 1.00 0.00 C ATOM 457 CD1 TYR A 26 0.937 -25.116 4.384 1.00 0.00 C ATOM 458 CD2 TYR A 26 2.920 -23.872 4.828 1.00 0.00 C ATOM 459 CE1 TYR A 26 0.260 -24.386 5.339 1.00 0.00 C ATOM 460 CE2 TYR A 26 2.251 -23.136 5.785 1.00 0.00 C ATOM 461 CZ TYR A 26 0.920 -23.396 6.037 1.00 0.00 C ATOM 462 OH TYR A 26 0.248 -22.664 6.989 1.00 0.00 O ATOM 0 H TYR A 26 1.902 -23.487 2.245 1.00 0.00 H new ATOM 0 HA TYR A 26 3.390 -25.651 0.949 1.00 0.00 H new ATOM 0 HB2 TYR A 26 2.863 -26.737 3.268 1.00 0.00 H new ATOM 0 HB3 TYR A 26 4.082 -25.482 3.164 1.00 0.00 H new ATOM 0 HD1 TYR A 26 0.417 -25.890 3.839 1.00 0.00 H new ATOM 0 HD2 TYR A 26 3.962 -23.666 4.633 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -0.782 -24.589 5.539 1.00 0.00 H new ATOM 0 HE2 TYR A 26 2.767 -22.361 6.333 1.00 0.00 H new ATOM 0 HH TYR A 26 0.857 -22.008 7.388 1.00 0.00 H new ATOM 472 N LYS A 27 0.247 -25.561 0.952 1.00 0.00 N ATOM 473 CA LYS A 27 -0.971 -26.274 0.585 1.00 0.00 C ATOM 474 C LYS A 27 -0.844 -26.882 -0.804 1.00 0.00 C ATOM 475 O LYS A 27 -1.180 -28.047 -1.017 1.00 0.00 O ATOM 476 CB LYS A 27 -2.180 -25.340 0.638 1.00 0.00 C ATOM 477 CG LYS A 27 -2.992 -25.466 1.916 1.00 0.00 C ATOM 478 CD LYS A 27 -3.798 -24.208 2.188 1.00 0.00 C ATOM 479 CE LYS A 27 -5.191 -24.298 1.588 1.00 0.00 C ATOM 480 NZ LYS A 27 -6.025 -25.324 2.271 1.00 0.00 N ATOM 0 H LYS A 27 0.164 -24.544 0.942 1.00 0.00 H new ATOM 0 HA LYS A 27 -1.118 -27.079 1.305 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -1.838 -24.310 0.535 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -2.826 -25.548 -0.215 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -3.664 -26.321 1.839 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -2.324 -25.660 2.755 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -3.874 -24.049 3.264 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -3.277 -23.345 1.774 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -5.680 -23.327 1.659 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -5.115 -24.539 0.528 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -7.031 -25.087 2.155 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -5.839 -26.258 1.852 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -5.789 -25.346 3.284 1.00 0.00 H new ATOM 494 N ASP A 28 -0.357 -26.086 -1.750 1.00 0.00 N ATOM 495 CA ASP A 28 -0.187 -26.553 -3.121 1.00 0.00 C ATOM 496 C ASP A 28 0.758 -25.644 -3.903 1.00 0.00 C ATOM 497 O ASP A 28 0.728 -24.423 -3.748 1.00 0.00 O ATOM 498 CB ASP A 28 -1.544 -26.625 -3.828 1.00 0.00 C ATOM 499 CG ASP A 28 -2.193 -27.989 -3.694 1.00 0.00 C ATOM 500 OD1 ASP A 28 -1.645 -28.965 -4.249 1.00 0.00 O ATOM 501 OD2 ASP A 28 -3.251 -28.080 -3.037 1.00 0.00 O ATOM 0 H ASP A 28 -0.074 -25.119 -1.594 1.00 0.00 H new ATOM 0 HA ASP A 28 0.253 -27.550 -3.082 1.00 0.00 H new ATOM 0 HB2 ASP A 28 -2.208 -25.867 -3.412 1.00 0.00 H new ATOM 0 HB3 ASP A 28 -1.413 -26.390 -4.884 1.00 0.00 H new ATOM 506 N PRO A 29 1.612 -26.229 -4.764 1.00 0.00 N ATOM 507 CA PRO A 29 2.566 -25.466 -5.574 1.00 0.00 C ATOM 508 C PRO A 29 1.891 -24.709 -6.715 1.00 0.00 C ATOM 509 O PRO A 29 2.519 -23.889 -7.384 1.00 0.00 O ATOM 510 CB PRO A 29 3.497 -26.541 -6.126 1.00 0.00 C ATOM 511 CG PRO A 29 2.658 -27.764 -6.185 1.00 0.00 C ATOM 512 CD PRO A 29 1.713 -27.680 -5.017 1.00 0.00 C ATOM 0 HA PRO A 29 3.074 -24.699 -4.989 1.00 0.00 H new ATOM 0 HB2 PRO A 29 3.875 -26.271 -7.112 1.00 0.00 H new ATOM 0 HB3 PRO A 29 4.364 -26.685 -5.481 1.00 0.00 H new ATOM 0 HG2 PRO A 29 2.110 -27.816 -7.126 1.00 0.00 H new ATOM 0 HG3 PRO A 29 3.273 -28.662 -6.124 1.00 0.00 H new ATOM 0 HD2 PRO A 29 0.742 -28.115 -5.253 1.00 0.00 H new ATOM 0 HD3 PRO A 29 2.099 -28.214 -4.148 1.00 0.00 H new ATOM 520 N GLN A 30 0.608 -24.989 -6.933 1.00 0.00 N ATOM 521 CA GLN A 30 -0.149 -24.335 -7.991 1.00 0.00 C ATOM 522 C GLN A 30 -1.196 -23.395 -7.406 1.00 0.00 C ATOM 523 O GLN A 30 -1.499 -22.348 -7.980 1.00 0.00 O ATOM 524 CB GLN A 30 -0.824 -25.377 -8.887 1.00 0.00 C ATOM 525 CG GLN A 30 0.142 -26.398 -9.465 1.00 0.00 C ATOM 526 CD GLN A 30 1.070 -25.799 -10.503 1.00 0.00 C ATOM 527 OE1 GLN A 30 0.683 -24.907 -11.258 1.00 0.00 O ATOM 528 NE2 GLN A 30 2.304 -26.289 -10.548 1.00 0.00 N ATOM 0 H GLN A 30 0.073 -25.666 -6.389 1.00 0.00 H new ATOM 0 HA GLN A 30 0.546 -23.749 -8.592 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -1.589 -25.898 -8.312 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -1.333 -24.866 -9.705 1.00 0.00 H new ATOM 0 HG2 GLN A 30 0.735 -26.829 -8.658 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -0.424 -27.213 -9.916 1.00 0.00 H new ATOM 0 HE21 GLN A 30 2.583 -27.028 -9.903 1.00 0.00 H new ATOM 0 HE22 GLN A 30 2.973 -25.926 -11.227 1.00 0.00 H new ATOM 537 N ASN A 31 -1.746 -23.775 -6.257 1.00 0.00 N ATOM 538 CA ASN A 31 -2.758 -22.966 -5.587 1.00 0.00 C ATOM 539 C ASN A 31 -2.129 -22.111 -4.493 1.00 0.00 C ATOM 540 O ASN A 31 -2.719 -21.908 -3.433 1.00 0.00 O ATOM 541 CB ASN A 31 -3.844 -23.863 -4.989 1.00 0.00 C ATOM 542 CG ASN A 31 -4.797 -24.397 -6.041 1.00 0.00 C ATOM 543 OD1 ASN A 31 -5.371 -23.498 -6.832 1.00 0.00 O flip ATOM 544 ND2 ASN A 31 -5.015 -25.605 -6.141 1.00 0.00 N flip ATOM 0 H ASN A 31 -1.508 -24.639 -5.770 1.00 0.00 H new ATOM 0 HA ASN A 31 -3.210 -22.305 -6.327 1.00 0.00 H new ATOM 0 HB2 ASN A 31 -3.376 -24.699 -4.469 1.00 0.00 H new ATOM 0 HB3 ASN A 31 -4.407 -23.300 -4.245 1.00 0.00 H new ATOM 0 HD21 ASN A 31 -4.552 -26.261 -5.512 1.00 0.00 H new ATOM 0 HD22 ASN A 31 -5.659 -25.950 -6.853 1.00 0.00 H new ATOM 551 N LYS A 32 -0.924 -21.617 -4.759 1.00 0.00 N ATOM 552 CA LYS A 32 -0.208 -20.788 -3.798 1.00 0.00 C ATOM 553 C LYS A 32 -0.848 -19.409 -3.666 1.00 0.00 C ATOM 554 O LYS A 32 -0.870 -18.828 -2.582 1.00 0.00 O ATOM 555 CB LYS A 32 1.257 -20.644 -4.211 1.00 0.00 C ATOM 556 CG LYS A 32 1.442 -20.265 -5.671 1.00 0.00 C ATOM 557 CD LYS A 32 2.279 -21.293 -6.412 1.00 0.00 C ATOM 558 CE LYS A 32 3.754 -20.921 -6.403 1.00 0.00 C ATOM 559 NZ LYS A 32 4.405 -21.198 -7.713 1.00 0.00 N ATOM 0 H LYS A 32 -0.423 -21.777 -5.633 1.00 0.00 H new ATOM 0 HA LYS A 32 -0.263 -21.282 -2.828 1.00 0.00 H new ATOM 0 HB2 LYS A 32 1.730 -19.887 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 32 1.774 -21.584 -4.020 1.00 0.00 H new ATOM 0 HG2 LYS A 32 0.467 -20.174 -6.151 1.00 0.00 H new ATOM 0 HG3 LYS A 32 1.922 -19.288 -5.736 1.00 0.00 H new ATOM 0 HD2 LYS A 32 2.147 -22.272 -5.951 1.00 0.00 H new ATOM 0 HD3 LYS A 32 1.929 -21.375 -7.441 1.00 0.00 H new ATOM 0 HE2 LYS A 32 3.860 -19.863 -6.161 1.00 0.00 H new ATOM 0 HE3 LYS A 32 4.264 -21.480 -5.619 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 5.409 -20.931 -7.665 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 4.327 -22.212 -7.932 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 3.935 -20.645 -8.458 1.00 0.00 H new ATOM 573 N LYS A 33 -1.370 -18.891 -4.775 1.00 0.00 N ATOM 574 CA LYS A 33 -2.010 -17.578 -4.784 1.00 0.00 C ATOM 575 C LYS A 33 -1.153 -16.541 -4.061 1.00 0.00 C ATOM 576 O LYS A 33 -1.239 -16.390 -2.842 1.00 0.00 O ATOM 577 CB LYS A 33 -3.391 -17.665 -4.137 1.00 0.00 C ATOM 578 CG LYS A 33 -4.477 -18.117 -5.097 1.00 0.00 C ATOM 579 CD LYS A 33 -4.396 -19.611 -5.374 1.00 0.00 C ATOM 580 CE LYS A 33 -4.605 -19.917 -6.848 1.00 0.00 C ATOM 581 NZ LYS A 33 -5.989 -20.392 -7.124 1.00 0.00 N ATOM 0 H LYS A 33 -1.362 -19.361 -5.680 1.00 0.00 H new ATOM 0 HA LYS A 33 -2.119 -17.260 -5.821 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -3.348 -18.358 -3.296 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -3.657 -16.689 -3.732 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -5.455 -17.877 -4.680 1.00 0.00 H new ATOM 0 HG3 LYS A 33 -4.386 -17.568 -6.034 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -3.424 -19.988 -5.057 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -5.148 -20.133 -4.783 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -4.404 -19.022 -7.437 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.890 -20.676 -7.167 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -6.278 -20.087 -8.075 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -6.017 -21.430 -7.070 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -6.641 -19.991 -6.419 1.00 0.00 H new ATOM 595 N LYS A 34 -0.325 -15.836 -4.823 1.00 0.00 N ATOM 596 CA LYS A 34 0.553 -14.817 -4.259 1.00 0.00 C ATOM 597 C LYS A 34 -0.206 -13.529 -3.961 1.00 0.00 C ATOM 598 O LYS A 34 -1.180 -13.199 -4.636 1.00 0.00 O ATOM 599 CB LYS A 34 1.709 -14.528 -5.213 1.00 0.00 C ATOM 600 CG LYS A 34 3.050 -14.403 -4.505 1.00 0.00 C ATOM 601 CD LYS A 34 4.205 -14.937 -5.345 1.00 0.00 C ATOM 602 CE LYS A 34 3.865 -16.247 -6.047 1.00 0.00 C ATOM 603 NZ LYS A 34 5.055 -17.131 -6.183 1.00 0.00 N ATOM 0 H LYS A 34 -0.243 -15.951 -5.833 1.00 0.00 H new ATOM 0 HA LYS A 34 0.947 -15.203 -3.319 1.00 0.00 H new ATOM 0 HB2 LYS A 34 1.769 -15.325 -5.954 1.00 0.00 H new ATOM 0 HB3 LYS A 34 1.503 -13.605 -5.754 1.00 0.00 H new ATOM 0 HG2 LYS A 34 3.234 -13.356 -4.264 1.00 0.00 H new ATOM 0 HG3 LYS A 34 3.011 -14.945 -3.560 1.00 0.00 H new ATOM 0 HD2 LYS A 34 4.482 -14.191 -6.090 1.00 0.00 H new ATOM 0 HD3 LYS A 34 5.075 -15.087 -4.706 1.00 0.00 H new ATOM 0 HE2 LYS A 34 3.088 -16.768 -5.487 1.00 0.00 H new ATOM 0 HE3 LYS A 34 3.457 -16.034 -7.035 1.00 0.00 H new ATOM 0 HZ1 LYS A 34 5.368 -17.141 -7.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 34 5.824 -16.773 -5.581 1.00 0.00 H new ATOM 0 HZ3 LYS A 34 4.805 -18.097 -5.889 1.00 0.00 H new ATOM 617 N GLY A 35 0.253 -12.805 -2.946 1.00 0.00 N ATOM 618 CA GLY A 35 -0.383 -11.557 -2.573 1.00 0.00 C ATOM 619 C GLY A 35 0.577 -10.385 -2.627 1.00 0.00 C ATOM 620 O GLY A 35 1.700 -10.468 -2.125 1.00 0.00 O ATOM 0 H GLY A 35 1.057 -13.062 -2.374 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -1.224 -11.366 -3.240 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -0.789 -11.645 -1.565 1.00 0.00 H new ATOM 624 N TRP A 36 0.139 -9.292 -3.244 1.00 0.00 N ATOM 625 CA TRP A 36 0.968 -8.099 -3.366 1.00 0.00 C ATOM 626 C TRP A 36 0.613 -7.077 -2.294 1.00 0.00 C ATOM 627 O TRP A 36 -0.544 -6.672 -2.164 1.00 0.00 O ATOM 628 CB TRP A 36 0.807 -7.488 -4.757 1.00 0.00 C ATOM 629 CG TRP A 36 1.189 -8.434 -5.851 1.00 0.00 C ATOM 630 CD1 TRP A 36 2.440 -8.643 -6.350 1.00 0.00 C ATOM 631 CD2 TRP A 36 0.315 -9.303 -6.576 1.00 0.00 C ATOM 632 NE1 TRP A 36 2.400 -9.595 -7.339 1.00 0.00 N ATOM 633 CE2 TRP A 36 1.106 -10.016 -7.496 1.00 0.00 C ATOM 634 CE3 TRP A 36 -1.061 -9.551 -6.534 1.00 0.00 C ATOM 635 CZ2 TRP A 36 0.566 -10.960 -8.368 1.00 0.00 C ATOM 636 CZ3 TRP A 36 -1.595 -10.487 -7.400 1.00 0.00 C ATOM 637 CH2 TRP A 36 -0.782 -11.183 -8.305 1.00 0.00 C ATOM 0 H TRP A 36 -0.785 -9.208 -3.667 1.00 0.00 H new ATOM 0 HA TRP A 36 2.009 -8.389 -3.225 1.00 0.00 H new ATOM 0 HB2 TRP A 36 -0.229 -7.178 -4.896 1.00 0.00 H new ATOM 0 HB3 TRP A 36 1.421 -6.590 -4.828 1.00 0.00 H new ATOM 0 HD1 TRP A 36 3.332 -8.134 -6.016 1.00 0.00 H new ATOM 0 HE1 TRP A 36 3.203 -9.933 -7.870 1.00 0.00 H new ATOM 0 HE3 TRP A 36 -1.694 -9.021 -5.838 1.00 0.00 H new ATOM 0 HZ2 TRP A 36 1.190 -11.496 -9.068 1.00 0.00 H new ATOM 0 HZ3 TRP A 36 -2.656 -10.685 -7.379 1.00 0.00 H new ATOM 0 HH2 TRP A 36 -1.229 -11.910 -8.966 1.00 0.00 H new ATOM 648 N TRP A 37 1.614 -6.674 -1.522 1.00 0.00 N ATOM 649 CA TRP A 37 1.415 -5.708 -0.450 1.00 0.00 C ATOM 650 C TRP A 37 2.020 -4.354 -0.815 1.00 0.00 C ATOM 651 O TRP A 37 3.231 -4.235 -0.994 1.00 0.00 O ATOM 652 CB TRP A 37 2.050 -6.239 0.836 1.00 0.00 C ATOM 653 CG TRP A 37 1.736 -5.429 2.056 1.00 0.00 C ATOM 654 CD1 TRP A 37 0.586 -5.462 2.790 1.00 0.00 C ATOM 655 CD2 TRP A 37 2.593 -4.474 2.692 1.00 0.00 C ATOM 656 NE1 TRP A 37 0.676 -4.585 3.845 1.00 0.00 N ATOM 657 CE2 TRP A 37 1.898 -3.966 3.807 1.00 0.00 C ATOM 658 CE3 TRP A 37 3.879 -4.000 2.427 1.00 0.00 C ATOM 659 CZ2 TRP A 37 2.449 -3.007 4.655 1.00 0.00 C ATOM 660 CZ3 TRP A 37 4.426 -3.049 3.267 1.00 0.00 C ATOM 661 CH2 TRP A 37 3.712 -2.562 4.369 1.00 0.00 C ATOM 0 H TRP A 37 2.575 -7.003 -1.619 1.00 0.00 H new ATOM 0 HA TRP A 37 0.345 -5.568 -0.299 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.714 -7.263 0.997 1.00 0.00 H new ATOM 0 HB3 TRP A 37 3.132 -6.275 0.706 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -0.269 -6.085 2.574 1.00 0.00 H new ATOM 0 HE1 TRP A 37 -0.049 -4.422 4.543 1.00 0.00 H new ATOM 0 HE3 TRP A 37 4.437 -4.370 1.580 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 1.901 -2.629 5.505 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 5.420 -2.675 3.071 1.00 0.00 H new ATOM 0 HH2 TRP A 37 4.167 -1.819 5.007 1.00 0.00 H new ATOM 672 N TYR A 38 1.169 -3.334 -0.914 1.00 0.00 N ATOM 673 CA TYR A 38 1.623 -1.987 -1.247 1.00 0.00 C ATOM 674 C TYR A 38 1.460 -1.060 -0.050 1.00 0.00 C ATOM 675 O TYR A 38 0.583 -1.263 0.787 1.00 0.00 O ATOM 676 CB TYR A 38 0.839 -1.426 -2.437 1.00 0.00 C ATOM 677 CG TYR A 38 0.998 -2.221 -3.711 1.00 0.00 C ATOM 678 CD1 TYR A 38 0.421 -3.474 -3.844 1.00 0.00 C ATOM 679 CD2 TYR A 38 1.720 -1.712 -4.786 1.00 0.00 C ATOM 680 CE1 TYR A 38 0.556 -4.203 -5.011 1.00 0.00 C ATOM 681 CE2 TYR A 38 1.857 -2.433 -5.956 1.00 0.00 C ATOM 682 CZ TYR A 38 1.276 -3.678 -6.063 1.00 0.00 C ATOM 683 OH TYR A 38 1.412 -4.399 -7.227 1.00 0.00 O ATOM 0 H TYR A 38 0.163 -3.416 -0.768 1.00 0.00 H new ATOM 0 HA TYR A 38 2.678 -2.046 -1.516 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -0.218 -1.387 -2.176 1.00 0.00 H new ATOM 0 HB3 TYR A 38 1.160 -0.400 -2.619 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -0.144 -3.888 -3.022 1.00 0.00 H new ATOM 0 HD2 TYR A 38 2.180 -0.738 -4.704 1.00 0.00 H new ATOM 0 HE1 TYR A 38 0.100 -5.178 -5.098 1.00 0.00 H new ATOM 0 HE2 TYR A 38 2.417 -2.023 -6.783 1.00 0.00 H new ATOM 0 HH TYR A 38 1.731 -3.809 -7.942 1.00 0.00 H new ATOM 693 N ALA A 39 2.310 -0.043 0.028 1.00 0.00 N ATOM 694 CA ALA A 39 2.252 0.908 1.128 1.00 0.00 C ATOM 695 C ALA A 39 3.153 2.106 0.872 1.00 0.00 C ATOM 696 O ALA A 39 4.356 1.961 0.650 1.00 0.00 O ATOM 697 CB ALA A 39 2.642 0.220 2.426 1.00 0.00 C ATOM 0 H ALA A 39 3.044 0.143 -0.655 1.00 0.00 H new ATOM 0 HA ALA A 39 1.229 1.274 1.209 1.00 0.00 H new ATOM 0 HB1 ALA A 39 2.597 0.937 3.246 1.00 0.00 H new ATOM 0 HB2 ALA A 39 1.953 -0.601 2.624 1.00 0.00 H new ATOM 0 HB3 ALA A 39 3.656 -0.170 2.341 1.00 0.00 H new ATOM 703 N HIS A 40 2.559 3.290 0.918 1.00 0.00 N ATOM 704 CA HIS A 40 3.296 4.525 0.708 1.00 0.00 C ATOM 705 C HIS A 40 3.614 5.168 2.050 1.00 0.00 C ATOM 706 O HIS A 40 2.780 5.871 2.627 1.00 0.00 O ATOM 707 CB HIS A 40 2.483 5.484 -0.164 1.00 0.00 C ATOM 708 CG HIS A 40 3.101 6.839 -0.312 1.00 0.00 C ATOM 709 ND1 HIS A 40 2.383 7.955 -0.679 1.00 0.00 N ATOM 710 CD2 HIS A 40 4.379 7.255 -0.137 1.00 0.00 C ATOM 711 CE1 HIS A 40 3.191 9.000 -0.726 1.00 0.00 C ATOM 712 NE2 HIS A 40 4.407 8.601 -0.400 1.00 0.00 N ATOM 0 H HIS A 40 1.564 3.420 1.100 1.00 0.00 H new ATOM 0 HA HIS A 40 4.230 4.300 0.194 1.00 0.00 H new ATOM 0 HB2 HIS A 40 2.357 5.043 -1.153 1.00 0.00 H new ATOM 0 HB3 HIS A 40 1.487 5.594 0.265 1.00 0.00 H new ATOM 0 HD1 HIS A 40 1.384 7.973 -0.883 1.00 0.00 H new ATOM 0 HD2 HIS A 40 5.218 6.641 0.155 1.00 0.00 H new ATOM 0 HE1 HIS A 40 2.905 10.008 -0.987 1.00 0.00 H new ATOM 721 N PHE A 41 4.818 4.909 2.551 1.00 0.00 N ATOM 722 CA PHE A 41 5.234 5.453 3.835 1.00 0.00 C ATOM 723 C PHE A 41 5.664 6.910 3.704 1.00 0.00 C ATOM 724 O PHE A 41 6.285 7.302 2.715 1.00 0.00 O ATOM 725 CB PHE A 41 6.384 4.636 4.431 1.00 0.00 C ATOM 726 CG PHE A 41 6.003 3.251 4.873 1.00 0.00 C ATOM 727 CD1 PHE A 41 5.482 2.333 3.973 1.00 0.00 C ATOM 728 CD2 PHE A 41 6.175 2.863 6.193 1.00 0.00 C ATOM 729 CE1 PHE A 41 5.141 1.058 4.383 1.00 0.00 C ATOM 730 CE2 PHE A 41 5.834 1.591 6.607 1.00 0.00 C ATOM 731 CZ PHE A 41 5.317 0.687 5.702 1.00 0.00 C ATOM 0 H PHE A 41 5.518 4.329 2.089 1.00 0.00 H new ATOM 0 HA PHE A 41 4.374 5.397 4.502 1.00 0.00 H new ATOM 0 HB2 PHE A 41 7.181 4.561 3.691 1.00 0.00 H new ATOM 0 HB3 PHE A 41 6.792 5.177 5.285 1.00 0.00 H new ATOM 0 HD1 PHE A 41 5.341 2.618 2.941 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.581 3.565 6.906 1.00 0.00 H new ATOM 0 HE1 PHE A 41 4.737 0.352 3.673 1.00 0.00 H new ATOM 0 HE2 PHE A 41 5.972 1.304 7.639 1.00 0.00 H new ATOM 0 HZ PHE A 41 5.050 -0.309 6.024 1.00 0.00 H new ATOM 741 N ASP A 42 5.349 7.703 4.720 1.00 0.00 N ATOM 742 CA ASP A 42 5.715 9.111 4.749 1.00 0.00 C ATOM 743 C ASP A 42 6.727 9.343 5.860 1.00 0.00 C ATOM 744 O ASP A 42 6.407 9.209 7.043 1.00 0.00 O ATOM 745 CB ASP A 42 4.476 9.984 4.967 1.00 0.00 C ATOM 746 CG ASP A 42 4.401 11.135 3.985 1.00 0.00 C ATOM 747 OD1 ASP A 42 4.227 10.874 2.776 1.00 0.00 O ATOM 748 OD2 ASP A 42 4.515 12.299 4.425 1.00 0.00 O ATOM 0 H ASP A 42 4.835 7.389 5.543 1.00 0.00 H new ATOM 0 HA ASP A 42 6.158 9.386 3.792 1.00 0.00 H new ATOM 0 HB2 ASP A 42 3.581 9.370 4.872 1.00 0.00 H new ATOM 0 HB3 ASP A 42 4.486 10.377 5.984 1.00 0.00 H new ATOM 753 N GLY A 43 7.959 9.661 5.481 1.00 0.00 N ATOM 754 CA GLY A 43 8.990 9.869 6.477 1.00 0.00 C ATOM 755 C GLY A 43 9.219 8.615 7.301 1.00 0.00 C ATOM 756 O GLY A 43 9.328 7.523 6.746 1.00 0.00 O ATOM 0 H GLY A 43 8.259 9.777 4.513 1.00 0.00 H new ATOM 0 HA2 GLY A 43 9.919 10.160 5.987 1.00 0.00 H new ATOM 0 HA3 GLY A 43 8.705 10.691 7.133 1.00 0.00 H new ATOM 760 N PRO A 44 9.289 8.732 8.637 1.00 0.00 N ATOM 761 CA PRO A 44 9.499 7.581 9.518 1.00 0.00 C ATOM 762 C PRO A 44 8.255 6.697 9.634 1.00 0.00 C ATOM 763 O PRO A 44 8.335 5.559 10.097 1.00 0.00 O ATOM 764 CB PRO A 44 9.825 8.216 10.882 1.00 0.00 C ATOM 765 CG PRO A 44 9.975 9.682 10.630 1.00 0.00 C ATOM 766 CD PRO A 44 9.172 9.979 9.398 1.00 0.00 C ATOM 0 HA PRO A 44 10.284 6.927 9.138 1.00 0.00 H new ATOM 0 HB2 PRO A 44 9.030 8.023 11.602 1.00 0.00 H new ATOM 0 HB3 PRO A 44 10.741 7.796 11.299 1.00 0.00 H new ATOM 0 HG2 PRO A 44 9.614 10.262 11.479 1.00 0.00 H new ATOM 0 HG3 PRO A 44 11.022 9.947 10.485 1.00 0.00 H new ATOM 0 HD2 PRO A 44 8.135 10.214 9.636 1.00 0.00 H new ATOM 0 HD3 PRO A 44 9.573 10.830 8.847 1.00 0.00 H new ATOM 774 N TRP A 45 7.105 7.237 9.241 1.00 0.00 N ATOM 775 CA TRP A 45 5.841 6.512 9.330 1.00 0.00 C ATOM 776 C TRP A 45 5.199 6.323 7.957 1.00 0.00 C ATOM 777 O TRP A 45 5.859 6.470 6.930 1.00 0.00 O ATOM 778 CB TRP A 45 4.901 7.277 10.258 1.00 0.00 C ATOM 779 CG TRP A 45 5.644 8.117 11.252 1.00 0.00 C ATOM 780 CD1 TRP A 45 6.252 9.315 11.023 1.00 0.00 C ATOM 781 CD2 TRP A 45 5.885 7.798 12.620 1.00 0.00 C ATOM 782 NE1 TRP A 45 6.846 9.769 12.175 1.00 0.00 N ATOM 783 CE2 TRP A 45 6.631 8.853 13.174 1.00 0.00 C ATOM 784 CE3 TRP A 45 5.533 6.724 13.428 1.00 0.00 C ATOM 785 CZ2 TRP A 45 7.033 8.861 14.508 1.00 0.00 C ATOM 786 CZ3 TRP A 45 5.929 6.726 14.752 1.00 0.00 C ATOM 787 CH2 TRP A 45 6.672 7.789 15.281 1.00 0.00 C ATOM 0 H TRP A 45 7.022 8.178 8.856 1.00 0.00 H new ATOM 0 HA TRP A 45 6.035 5.517 9.731 1.00 0.00 H new ATOM 0 HB2 TRP A 45 4.247 7.915 9.664 1.00 0.00 H new ATOM 0 HB3 TRP A 45 4.262 6.570 10.788 1.00 0.00 H new ATOM 0 HD1 TRP A 45 6.265 9.832 10.075 1.00 0.00 H new ATOM 0 HE1 TRP A 45 7.362 10.643 12.272 1.00 0.00 H new ATOM 0 HE3 TRP A 45 4.959 5.901 13.028 1.00 0.00 H new ATOM 0 HZ2 TRP A 45 7.607 9.680 14.917 1.00 0.00 H new ATOM 0 HZ3 TRP A 45 5.662 5.895 15.388 1.00 0.00 H new ATOM 0 HH2 TRP A 45 6.966 7.763 16.320 1.00 0.00 H new ATOM 798 N ILE A 46 3.909 5.988 7.949 1.00 0.00 N ATOM 799 CA ILE A 46 3.185 5.772 6.701 1.00 0.00 C ATOM 800 C ILE A 46 1.822 6.457 6.714 1.00 0.00 C ATOM 801 O ILE A 46 1.253 6.712 7.775 1.00 0.00 O ATOM 802 CB ILE A 46 3.011 4.265 6.405 1.00 0.00 C ATOM 803 CG1 ILE A 46 2.049 4.038 5.236 1.00 0.00 C ATOM 804 CG2 ILE A 46 2.525 3.534 7.644 1.00 0.00 C ATOM 805 CD1 ILE A 46 1.872 2.579 4.878 1.00 0.00 C ATOM 0 H ILE A 46 3.347 5.861 8.791 1.00 0.00 H new ATOM 0 HA ILE A 46 3.786 6.218 5.908 1.00 0.00 H new ATOM 0 HB ILE A 46 3.984 3.863 6.121 1.00 0.00 H new ATOM 0 HG12 ILE A 46 1.077 4.463 5.487 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.417 4.577 4.363 1.00 0.00 H new ATOM 0 HG21 ILE A 46 2.408 2.474 7.419 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.252 3.656 8.447 1.00 0.00 H new ATOM 0 HG23 ILE A 46 1.566 3.947 7.957 1.00 0.00 H new ATOM 0 HD11 ILE A 46 1.178 2.491 4.042 1.00 0.00 H new ATOM 0 HD12 ILE A 46 2.835 2.154 4.596 1.00 0.00 H new ATOM 0 HD13 ILE A 46 1.475 2.039 5.738 1.00 0.00 H new ATOM 817 N ALA A 47 1.314 6.759 5.521 1.00 0.00 N ATOM 818 CA ALA A 47 0.027 7.427 5.386 1.00 0.00 C ATOM 819 C ALA A 47 -0.883 6.740 4.366 1.00 0.00 C ATOM 820 O ALA A 47 -2.099 6.923 4.397 1.00 0.00 O ATOM 821 CB ALA A 47 0.235 8.884 5.004 1.00 0.00 C ATOM 0 H ALA A 47 1.776 6.551 4.636 1.00 0.00 H new ATOM 0 HA ALA A 47 -0.472 7.368 6.353 1.00 0.00 H new ATOM 0 HB1 ALA A 47 -0.733 9.376 4.905 1.00 0.00 H new ATOM 0 HB2 ALA A 47 0.819 9.383 5.778 1.00 0.00 H new ATOM 0 HB3 ALA A 47 0.768 8.939 4.055 1.00 0.00 H new ATOM 827 N ARG A 48 -0.303 5.953 3.456 1.00 0.00 N ATOM 828 CA ARG A 48 -1.098 5.267 2.444 1.00 0.00 C ATOM 829 C ARG A 48 -0.762 3.780 2.409 1.00 0.00 C ATOM 830 O ARG A 48 0.408 3.401 2.439 1.00 0.00 O ATOM 831 CB ARG A 48 -0.865 5.897 1.068 1.00 0.00 C ATOM 832 CG ARG A 48 -2.044 6.715 0.570 1.00 0.00 C ATOM 833 CD ARG A 48 -1.889 7.088 -0.895 1.00 0.00 C ATOM 834 NE ARG A 48 -3.054 7.809 -1.401 1.00 0.00 N ATOM 835 CZ ARG A 48 -3.157 8.273 -2.644 1.00 0.00 C ATOM 836 NH1 ARG A 48 -2.167 8.101 -3.512 1.00 0.00 N ATOM 837 NH2 ARG A 48 -4.254 8.913 -3.021 1.00 0.00 N ATOM 0 H ARG A 48 0.701 5.779 3.402 1.00 0.00 H new ATOM 0 HA ARG A 48 -2.151 5.374 2.705 1.00 0.00 H new ATOM 0 HB2 ARG A 48 0.017 6.536 1.114 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -0.650 5.108 0.347 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -2.964 6.147 0.706 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -2.137 7.621 1.169 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -0.999 7.704 -1.020 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -1.737 6.184 -1.485 1.00 0.00 H new ATOM 0 HE ARG A 48 -3.835 7.966 -0.764 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -1.319 7.610 -3.228 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -2.254 8.460 -4.463 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -5.018 9.049 -2.359 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -4.335 9.269 -3.973 1.00 0.00 H new ATOM 851 N GLN A 49 -1.791 2.942 2.354 1.00 0.00 N ATOM 852 CA GLN A 49 -1.587 1.499 2.326 1.00 0.00 C ATOM 853 C GLN A 49 -2.618 0.806 1.438 1.00 0.00 C ATOM 854 O GLN A 49 -3.823 0.919 1.660 1.00 0.00 O ATOM 855 CB GLN A 49 -1.654 0.929 3.745 1.00 0.00 C ATOM 856 CG GLN A 49 -0.347 0.312 4.217 1.00 0.00 C ATOM 857 CD GLN A 49 -0.358 -1.204 4.134 1.00 0.00 C ATOM 858 OE1 GLN A 49 -0.768 -1.852 5.217 1.00 0.00 O flip ATOM 859 NE2 GLN A 49 0.002 -1.784 3.111 1.00 0.00 N flip ATOM 0 H GLN A 49 -2.768 3.234 2.328 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.599 1.311 1.906 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -1.940 1.724 4.434 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.439 0.173 3.787 1.00 0.00 H new ATOM 0 HG2 GLN A 49 0.473 0.700 3.613 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -0.156 0.615 5.246 1.00 0.00 H new ATOM 0 HE21 GLN A 49 0.310 -1.246 2.301 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -0.007 -2.803 3.072 1.00 0.00 H new ATOM 868 N MET A 50 -2.128 0.074 0.442 1.00 0.00 N ATOM 869 CA MET A 50 -2.998 -0.658 -0.471 1.00 0.00 C ATOM 870 C MET A 50 -2.644 -2.140 -0.454 1.00 0.00 C ATOM 871 O MET A 50 -1.541 -2.528 -0.835 1.00 0.00 O ATOM 872 CB MET A 50 -2.879 -0.108 -1.891 1.00 0.00 C ATOM 873 CG MET A 50 -3.769 -0.827 -2.894 1.00 0.00 C ATOM 874 SD MET A 50 -3.775 -0.040 -4.515 1.00 0.00 S ATOM 875 CE MET A 50 -2.033 0.311 -4.728 1.00 0.00 C ATOM 0 H MET A 50 -1.132 -0.028 0.247 1.00 0.00 H new ATOM 0 HA MET A 50 -4.029 -0.532 -0.139 1.00 0.00 H new ATOM 0 HB2 MET A 50 -3.134 0.952 -1.885 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.842 -0.185 -2.217 1.00 0.00 H new ATOM 0 HG2 MET A 50 -3.432 -1.858 -2.998 1.00 0.00 H new ATOM 0 HG3 MET A 50 -4.788 -0.862 -2.509 1.00 0.00 H new ATOM 0 HE1 MET A 50 -1.746 0.113 -5.761 1.00 0.00 H new ATOM 0 HE2 MET A 50 -1.841 1.358 -4.492 1.00 0.00 H new ATOM 0 HE3 MET A 50 -1.450 -0.324 -4.061 1.00 0.00 H new ATOM 885 N GLU A 51 -3.580 -2.962 0.004 1.00 0.00 N ATOM 886 CA GLU A 51 -3.349 -4.400 0.084 1.00 0.00 C ATOM 887 C GLU A 51 -4.092 -5.153 -1.017 1.00 0.00 C ATOM 888 O GLU A 51 -5.293 -4.966 -1.214 1.00 0.00 O ATOM 889 CB GLU A 51 -3.774 -4.926 1.456 1.00 0.00 C ATOM 890 CG GLU A 51 -2.633 -4.996 2.458 1.00 0.00 C ATOM 891 CD GLU A 51 -2.642 -6.280 3.265 1.00 0.00 C ATOM 892 OE1 GLU A 51 -2.335 -7.345 2.688 1.00 0.00 O ATOM 893 OE2 GLU A 51 -2.953 -6.221 4.474 1.00 0.00 O ATOM 0 H GLU A 51 -4.501 -2.661 0.324 1.00 0.00 H new ATOM 0 HA GLU A 51 -2.282 -4.572 -0.056 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -4.559 -4.284 1.855 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -4.205 -5.920 1.338 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -1.684 -4.911 1.929 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -2.697 -4.145 3.136 1.00 0.00 H new ATOM 900 N LEU A 52 -3.362 -6.013 -1.725 1.00 0.00 N ATOM 901 CA LEU A 52 -3.937 -6.813 -2.802 1.00 0.00 C ATOM 902 C LEU A 52 -3.590 -8.285 -2.611 1.00 0.00 C ATOM 903 O LEU A 52 -2.447 -8.692 -2.825 1.00 0.00 O ATOM 904 CB LEU A 52 -3.423 -6.335 -4.163 1.00 0.00 C ATOM 905 CG LEU A 52 -3.531 -4.830 -4.408 1.00 0.00 C ATOM 906 CD1 LEU A 52 -2.432 -4.360 -5.353 1.00 0.00 C ATOM 907 CD2 LEU A 52 -4.901 -4.477 -4.967 1.00 0.00 C ATOM 0 H LEU A 52 -2.367 -6.173 -1.570 1.00 0.00 H new ATOM 0 HA LEU A 52 -5.020 -6.694 -2.773 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -2.378 -6.629 -4.262 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -3.976 -6.855 -4.945 1.00 0.00 H new ATOM 0 HG LEU A 52 -3.406 -4.318 -3.454 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -2.526 -3.286 -5.515 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.458 -4.577 -4.915 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -2.525 -4.880 -6.306 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -4.959 -3.402 -5.135 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -5.055 -5.001 -5.911 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -5.672 -4.776 -4.257 1.00 0.00 H new ATOM 919 N HIS A 53 -4.573 -9.078 -2.203 1.00 0.00 N ATOM 920 CA HIS A 53 -4.355 -10.503 -1.979 1.00 0.00 C ATOM 921 C HIS A 53 -5.442 -11.340 -2.655 1.00 0.00 C ATOM 922 O HIS A 53 -6.620 -10.988 -2.614 1.00 0.00 O ATOM 923 CB HIS A 53 -4.319 -10.801 -0.479 1.00 0.00 C ATOM 924 CG HIS A 53 -2.988 -11.291 0.003 1.00 0.00 C ATOM 925 ND1 HIS A 53 -2.673 -12.630 0.113 1.00 0.00 N ATOM 926 CD2 HIS A 53 -1.888 -10.614 0.405 1.00 0.00 C ATOM 927 CE1 HIS A 53 -1.438 -12.753 0.563 1.00 0.00 C ATOM 928 NE2 HIS A 53 -0.937 -11.544 0.748 1.00 0.00 N ATOM 0 H HIS A 53 -5.525 -8.761 -2.021 1.00 0.00 H new ATOM 0 HA HIS A 53 -3.395 -10.772 -2.421 1.00 0.00 H new ATOM 0 HB2 HIS A 53 -4.584 -9.897 0.069 1.00 0.00 H new ATOM 0 HB3 HIS A 53 -5.078 -11.548 -0.247 1.00 0.00 H new ATOM 0 HD2 HIS A 53 -1.778 -9.541 0.448 1.00 0.00 H new ATOM 0 HE1 HIS A 53 -0.924 -13.684 0.749 1.00 0.00 H new ATOM 0 HE2 HIS A 53 0.001 -11.336 1.089 1.00 0.00 H new ATOM 937 N PRO A 54 -5.062 -12.466 -3.285 1.00 0.00 N ATOM 938 CA PRO A 54 -6.018 -13.347 -3.964 1.00 0.00 C ATOM 939 C PRO A 54 -7.165 -13.765 -3.051 1.00 0.00 C ATOM 940 O PRO A 54 -8.248 -14.117 -3.520 1.00 0.00 O ATOM 941 CB PRO A 54 -5.171 -14.564 -4.349 1.00 0.00 C ATOM 942 CG PRO A 54 -3.777 -14.048 -4.426 1.00 0.00 C ATOM 943 CD PRO A 54 -3.679 -12.969 -3.384 1.00 0.00 C ATOM 0 HA PRO A 54 -6.492 -12.856 -4.814 1.00 0.00 H new ATOM 0 HB2 PRO A 54 -5.259 -15.358 -3.607 1.00 0.00 H new ATOM 0 HB3 PRO A 54 -5.491 -14.983 -5.303 1.00 0.00 H new ATOM 0 HG2 PRO A 54 -3.055 -14.842 -4.235 1.00 0.00 H new ATOM 0 HG3 PRO A 54 -3.561 -13.653 -5.419 1.00 0.00 H new ATOM 0 HD2 PRO A 54 -3.325 -13.361 -2.431 1.00 0.00 H new ATOM 0 HD3 PRO A 54 -2.986 -12.183 -3.683 1.00 0.00 H new ATOM 951 N ASP A 55 -6.922 -13.727 -1.744 1.00 0.00 N ATOM 952 CA ASP A 55 -7.935 -14.101 -0.766 1.00 0.00 C ATOM 953 C ASP A 55 -8.796 -12.902 -0.380 1.00 0.00 C ATOM 954 O ASP A 55 -9.985 -13.047 -0.093 1.00 0.00 O ATOM 955 CB ASP A 55 -7.275 -14.692 0.480 1.00 0.00 C ATOM 956 CG ASP A 55 -7.059 -16.189 0.366 1.00 0.00 C ATOM 957 OD1 ASP A 55 -7.039 -16.699 -0.773 1.00 0.00 O ATOM 958 OD2 ASP A 55 -6.909 -16.849 1.416 1.00 0.00 O ATOM 0 H ASP A 55 -6.031 -13.440 -1.339 1.00 0.00 H new ATOM 0 HA ASP A 55 -8.580 -14.853 -1.221 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -6.316 -14.201 0.647 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -7.896 -14.483 1.351 1.00 0.00 H new ATOM 963 N LYS A 56 -8.191 -11.718 -0.374 1.00 0.00 N ATOM 964 CA LYS A 56 -8.908 -10.499 -0.022 1.00 0.00 C ATOM 965 C LYS A 56 -8.742 -9.431 -1.104 1.00 0.00 C ATOM 966 O LYS A 56 -7.619 -9.083 -1.479 1.00 0.00 O ATOM 967 CB LYS A 56 -8.419 -9.957 1.325 1.00 0.00 C ATOM 968 CG LYS A 56 -6.923 -10.116 1.541 1.00 0.00 C ATOM 969 CD LYS A 56 -6.584 -11.481 2.121 1.00 0.00 C ATOM 970 CE LYS A 56 -5.609 -11.369 3.282 1.00 0.00 C ATOM 971 NZ LYS A 56 -6.299 -11.456 4.598 1.00 0.00 N ATOM 0 H LYS A 56 -7.208 -11.578 -0.608 1.00 0.00 H new ATOM 0 HA LYS A 56 -9.966 -10.747 0.058 1.00 0.00 H new ATOM 0 HB2 LYS A 56 -8.677 -8.900 1.397 1.00 0.00 H new ATOM 0 HB3 LYS A 56 -8.949 -10.470 2.127 1.00 0.00 H new ATOM 0 HG2 LYS A 56 -6.402 -9.983 0.593 1.00 0.00 H new ATOM 0 HG3 LYS A 56 -6.567 -9.335 2.213 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -7.498 -11.971 2.458 1.00 0.00 H new ATOM 0 HD3 LYS A 56 -6.153 -12.111 1.343 1.00 0.00 H new ATOM 0 HE2 LYS A 56 -4.865 -12.163 3.209 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -5.073 -10.422 3.215 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 -5.599 -11.375 5.363 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 -6.991 -10.684 4.679 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 -6.790 -12.370 4.673 1.00 0.00 H new ATOM 985 N PRO A 57 -9.865 -8.895 -1.623 1.00 0.00 N ATOM 986 CA PRO A 57 -9.842 -7.864 -2.668 1.00 0.00 C ATOM 987 C PRO A 57 -8.925 -6.695 -2.315 1.00 0.00 C ATOM 988 O PRO A 57 -8.243 -6.717 -1.293 1.00 0.00 O ATOM 989 CB PRO A 57 -11.298 -7.401 -2.740 1.00 0.00 C ATOM 990 CG PRO A 57 -12.089 -8.570 -2.273 1.00 0.00 C ATOM 991 CD PRO A 57 -11.243 -9.252 -1.234 1.00 0.00 C ATOM 0 HA PRO A 57 -9.455 -8.249 -3.611 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -11.468 -6.530 -2.108 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -11.573 -7.117 -3.756 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -13.043 -8.253 -1.853 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -12.313 -9.245 -3.099 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -11.480 -8.901 -0.230 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -11.394 -10.331 -1.238 1.00 0.00 H new ATOM 999 N PRO A 58 -8.900 -5.652 -3.165 1.00 0.00 N ATOM 1000 CA PRO A 58 -8.061 -4.471 -2.941 1.00 0.00 C ATOM 1001 C PRO A 58 -8.372 -3.776 -1.618 1.00 0.00 C ATOM 1002 O PRO A 58 -9.093 -2.779 -1.585 1.00 0.00 O ATOM 1003 CB PRO A 58 -8.402 -3.549 -4.118 1.00 0.00 C ATOM 1004 CG PRO A 58 -8.994 -4.440 -5.154 1.00 0.00 C ATOM 1005 CD PRO A 58 -9.681 -5.547 -4.408 1.00 0.00 C ATOM 0 HA PRO A 58 -7.005 -4.736 -2.884 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -9.105 -2.772 -3.818 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -7.512 -3.045 -4.494 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -9.701 -3.895 -5.780 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -8.223 -4.836 -5.815 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -10.726 -5.309 -4.208 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.668 -6.480 -4.971 1.00 0.00 H new ATOM 1013 N ILE A 59 -7.818 -4.302 -0.530 1.00 0.00 N ATOM 1014 CA ILE A 59 -8.037 -3.721 0.787 1.00 0.00 C ATOM 1015 C ILE A 59 -7.418 -2.331 0.865 1.00 0.00 C ATOM 1016 O ILE A 59 -6.227 -2.180 1.135 1.00 0.00 O ATOM 1017 CB ILE A 59 -7.451 -4.609 1.903 1.00 0.00 C ATOM 1018 CG1 ILE A 59 -8.136 -5.975 1.902 1.00 0.00 C ATOM 1019 CG2 ILE A 59 -7.603 -3.941 3.264 1.00 0.00 C ATOM 1020 CD1 ILE A 59 -7.487 -6.973 2.832 1.00 0.00 C ATOM 0 H ILE A 59 -7.217 -5.126 -0.535 1.00 0.00 H new ATOM 0 HA ILE A 59 -9.114 -3.649 0.936 1.00 0.00 H new ATOM 0 HB ILE A 59 -6.387 -4.747 1.710 1.00 0.00 H new ATOM 0 HG12 ILE A 59 -9.180 -5.850 2.188 1.00 0.00 H new ATOM 0 HG13 ILE A 59 -8.129 -6.376 0.888 1.00 0.00 H new ATOM 0 HG21 ILE A 59 -7.182 -4.586 4.035 1.00 0.00 H new ATOM 0 HG22 ILE A 59 -7.076 -2.987 3.262 1.00 0.00 H new ATOM 0 HG23 ILE A 59 -8.660 -3.771 3.470 1.00 0.00 H new ATOM 0 HD11 ILE A 59 -8.024 -7.920 2.781 1.00 0.00 H new ATOM 0 HD12 ILE A 59 -6.450 -7.127 2.534 1.00 0.00 H new ATOM 0 HD13 ILE A 59 -7.518 -6.593 3.853 1.00 0.00 H new ATOM 1032 N LEU A 60 -8.239 -1.320 0.619 1.00 0.00 N ATOM 1033 CA LEU A 60 -7.786 0.065 0.649 1.00 0.00 C ATOM 1034 C LEU A 60 -7.657 0.570 2.083 1.00 0.00 C ATOM 1035 O LEU A 60 -8.640 0.637 2.820 1.00 0.00 O ATOM 1036 CB LEU A 60 -8.759 0.952 -0.138 1.00 0.00 C ATOM 1037 CG LEU A 60 -8.268 1.408 -1.521 1.00 0.00 C ATOM 1038 CD1 LEU A 60 -7.455 0.316 -2.203 1.00 0.00 C ATOM 1039 CD2 LEU A 60 -9.449 1.812 -2.391 1.00 0.00 C ATOM 0 H LEU A 60 -9.228 -1.433 0.395 1.00 0.00 H new ATOM 0 HA LEU A 60 -6.801 0.112 0.184 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -9.696 0.410 -0.265 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -8.981 1.836 0.459 1.00 0.00 H new ATOM 0 HG LEU A 60 -7.619 2.273 -1.383 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -7.121 0.667 -3.179 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -6.588 0.071 -1.589 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -8.073 -0.573 -2.329 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -9.088 2.133 -3.368 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -10.119 0.961 -2.513 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -9.987 2.632 -1.916 1.00 0.00 H new ATOM 1051 N LEU A 61 -6.434 0.926 2.469 1.00 0.00 N ATOM 1052 CA LEU A 61 -6.171 1.429 3.813 1.00 0.00 C ATOM 1053 C LEU A 61 -5.561 2.825 3.757 1.00 0.00 C ATOM 1054 O LEU A 61 -4.882 3.180 2.793 1.00 0.00 O ATOM 1055 CB LEU A 61 -5.235 0.480 4.562 1.00 0.00 C ATOM 1056 CG LEU A 61 -5.808 -0.910 4.850 1.00 0.00 C ATOM 1057 CD1 LEU A 61 -4.845 -1.713 5.713 1.00 0.00 C ATOM 1058 CD2 LEU A 61 -7.165 -0.799 5.526 1.00 0.00 C ATOM 0 H LEU A 61 -5.610 0.875 1.870 1.00 0.00 H new ATOM 0 HA LEU A 61 -7.120 1.486 4.347 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -4.320 0.365 3.981 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -4.956 0.943 5.508 1.00 0.00 H new ATOM 0 HG LEU A 61 -5.940 -1.432 3.902 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -5.267 -2.699 5.909 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -3.894 -1.823 5.192 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -4.683 -1.194 6.658 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -7.556 -1.797 5.723 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -7.060 -0.259 6.467 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -7.853 -0.261 4.874 1.00 0.00 H new ATOM 1070 N VAL A 62 -5.806 3.614 4.797 1.00 0.00 N ATOM 1071 CA VAL A 62 -5.282 4.973 4.866 1.00 0.00 C ATOM 1072 C VAL A 62 -5.076 5.409 6.313 1.00 0.00 C ATOM 1073 O VAL A 62 -5.837 5.028 7.201 1.00 0.00 O ATOM 1074 CB VAL A 62 -6.222 5.973 4.165 1.00 0.00 C ATOM 1075 CG1 VAL A 62 -7.582 6.004 4.847 1.00 0.00 C ATOM 1076 CG2 VAL A 62 -5.601 7.361 4.134 1.00 0.00 C ATOM 0 H VAL A 62 -6.364 3.336 5.604 1.00 0.00 H new ATOM 0 HA VAL A 62 -4.321 4.970 4.352 1.00 0.00 H new ATOM 0 HB VAL A 62 -6.367 5.642 3.137 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -8.229 6.717 4.336 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -8.032 5.012 4.807 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.461 6.306 5.887 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.280 8.052 3.635 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -5.421 7.702 5.154 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -4.656 7.325 3.591 1.00 0.00 H new ATOM 1086 N ALA A 63 -4.042 6.212 6.543 1.00 0.00 N ATOM 1087 CA ALA A 63 -3.738 6.699 7.882 1.00 0.00 C ATOM 1088 C ALA A 63 -4.889 7.533 8.432 1.00 0.00 C ATOM 1089 O ALA A 63 -5.503 8.317 7.709 1.00 0.00 O ATOM 1090 CB ALA A 63 -2.451 7.512 7.871 1.00 0.00 C ATOM 0 H ALA A 63 -3.401 6.539 5.819 1.00 0.00 H new ATOM 0 HA ALA A 63 -3.601 5.837 8.535 1.00 0.00 H new ATOM 0 HB1 ALA A 63 -2.237 7.869 8.879 1.00 0.00 H new ATOM 0 HB2 ALA A 63 -1.628 6.886 7.526 1.00 0.00 H new ATOM 0 HB3 ALA A 63 -2.565 8.364 7.201 1.00 0.00 H new ATOM 1096 N GLY A 64 -5.180 7.357 9.718 1.00 0.00 N ATOM 1097 CA GLY A 64 -6.260 8.098 10.340 1.00 0.00 C ATOM 1098 C GLY A 64 -7.536 7.287 10.436 1.00 0.00 C ATOM 1099 O GLY A 64 -8.171 7.237 11.488 1.00 0.00 O ATOM 0 H GLY A 64 -4.687 6.715 10.339 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -5.955 8.410 11.339 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -6.452 9.005 9.767 1.00 0.00 H new ATOM 1103 N LYS A 65 -7.908 6.648 9.332 1.00 0.00 N ATOM 1104 CA LYS A 65 -9.114 5.830 9.291 1.00 0.00 C ATOM 1105 C LYS A 65 -8.790 4.377 9.615 1.00 0.00 C ATOM 1106 O LYS A 65 -9.520 3.716 10.354 1.00 0.00 O ATOM 1107 CB LYS A 65 -9.771 5.929 7.914 1.00 0.00 C ATOM 1108 CG LYS A 65 -11.175 6.511 7.954 1.00 0.00 C ATOM 1109 CD LYS A 65 -12.174 5.621 7.232 1.00 0.00 C ATOM 1110 CE LYS A 65 -12.875 4.677 8.194 1.00 0.00 C ATOM 1111 NZ LYS A 65 -13.247 3.392 7.540 1.00 0.00 N ATOM 0 H LYS A 65 -7.391 6.681 8.453 1.00 0.00 H new ATOM 0 HA LYS A 65 -9.809 6.204 10.043 1.00 0.00 H new ATOM 0 HB2 LYS A 65 -9.148 6.546 7.266 1.00 0.00 H new ATOM 0 HB3 LYS A 65 -9.810 4.936 7.466 1.00 0.00 H new ATOM 0 HG2 LYS A 65 -11.486 6.640 8.991 1.00 0.00 H new ATOM 0 HG3 LYS A 65 -11.172 7.500 7.496 1.00 0.00 H new ATOM 0 HD2 LYS A 65 -12.914 6.240 6.724 1.00 0.00 H new ATOM 0 HD3 LYS A 65 -11.660 5.044 6.464 1.00 0.00 H new ATOM 0 HE2 LYS A 65 -12.224 4.476 9.045 1.00 0.00 H new ATOM 0 HE3 LYS A 65 -13.771 5.158 8.586 1.00 0.00 H new ATOM 0 HZ1 LYS A 65 -13.723 2.776 8.230 1.00 0.00 H new ATOM 0 HZ2 LYS A 65 -13.889 3.581 6.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 65 -12.389 2.920 7.189 1.00 0.00 H new ATOM 1125 N ASP A 66 -7.691 3.886 9.054 1.00 0.00 N ATOM 1126 CA ASP A 66 -7.264 2.511 9.278 1.00 0.00 C ATOM 1127 C ASP A 66 -5.866 2.473 9.886 1.00 0.00 C ATOM 1128 O ASP A 66 -4.999 1.732 9.429 1.00 0.00 O ATOM 1129 CB ASP A 66 -7.285 1.730 7.964 1.00 0.00 C ATOM 1130 CG ASP A 66 -8.694 1.483 7.460 1.00 0.00 C ATOM 1131 OD1 ASP A 66 -9.588 1.228 8.294 1.00 0.00 O ATOM 1132 OD2 ASP A 66 -8.904 1.546 6.230 1.00 0.00 O ATOM 0 H ASP A 66 -7.078 4.422 8.439 1.00 0.00 H new ATOM 0 HA ASP A 66 -7.959 2.047 9.978 1.00 0.00 H new ATOM 0 HB2 ASP A 66 -6.723 2.280 7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 66 -6.780 0.774 8.104 1.00 0.00 H new ATOM 1137 N ASP A 67 -5.654 3.280 10.920 1.00 0.00 N ATOM 1138 CA ASP A 67 -4.360 3.338 11.589 1.00 0.00 C ATOM 1139 C ASP A 67 -3.995 1.986 12.194 1.00 0.00 C ATOM 1140 O ASP A 67 -2.817 1.644 12.307 1.00 0.00 O ATOM 1141 CB ASP A 67 -4.375 4.415 12.678 1.00 0.00 C ATOM 1142 CG ASP A 67 -3.632 5.671 12.260 1.00 0.00 C ATOM 1143 OD1 ASP A 67 -2.447 5.561 11.884 1.00 0.00 O ATOM 1144 OD2 ASP A 67 -4.236 6.764 12.311 1.00 0.00 O ATOM 0 H ASP A 67 -6.361 3.902 11.312 1.00 0.00 H new ATOM 0 HA ASP A 67 -3.605 3.594 10.845 1.00 0.00 H new ATOM 0 HB2 ASP A 67 -5.407 4.670 12.919 1.00 0.00 H new ATOM 0 HB3 ASP A 67 -3.925 4.015 13.587 1.00 0.00 H new ATOM 1149 N MET A 68 -5.010 1.221 12.583 1.00 0.00 N ATOM 1150 CA MET A 68 -4.794 -0.093 13.178 1.00 0.00 C ATOM 1151 C MET A 68 -4.647 -1.168 12.104 1.00 0.00 C ATOM 1152 O MET A 68 -3.952 -2.165 12.302 1.00 0.00 O ATOM 1153 CB MET A 68 -5.950 -0.447 14.115 1.00 0.00 C ATOM 1154 CG MET A 68 -5.863 0.231 15.473 1.00 0.00 C ATOM 1155 SD MET A 68 -5.974 2.027 15.360 1.00 0.00 S ATOM 1156 CE MET A 68 -7.650 2.226 14.759 1.00 0.00 C ATOM 0 H MET A 68 -5.990 1.489 12.497 1.00 0.00 H new ATOM 0 HA MET A 68 -3.867 -0.053 13.750 1.00 0.00 H new ATOM 0 HB2 MET A 68 -6.890 -0.169 13.639 1.00 0.00 H new ATOM 0 HB3 MET A 68 -5.972 -1.527 14.258 1.00 0.00 H new ATOM 0 HG2 MET A 68 -6.665 -0.139 16.112 1.00 0.00 H new ATOM 0 HG3 MET A 68 -4.922 -0.042 15.952 1.00 0.00 H new ATOM 0 HE1 MET A 68 -8.044 3.186 15.092 1.00 0.00 H new ATOM 0 HE2 MET A 68 -7.652 2.191 13.670 1.00 0.00 H new ATOM 0 HE3 MET A 68 -8.274 1.422 15.149 1.00 0.00 H new ATOM 1166 N GLU A 69 -5.310 -0.962 10.970 1.00 0.00 N ATOM 1167 CA GLU A 69 -5.258 -1.917 9.869 1.00 0.00 C ATOM 1168 C GLU A 69 -3.969 -1.763 9.065 1.00 0.00 C ATOM 1169 O GLU A 69 -3.272 -2.742 8.804 1.00 0.00 O ATOM 1170 CB GLU A 69 -6.474 -1.741 8.958 1.00 0.00 C ATOM 1171 CG GLU A 69 -7.470 -2.886 9.048 1.00 0.00 C ATOM 1172 CD GLU A 69 -8.731 -2.627 8.248 1.00 0.00 C ATOM 1173 OE1 GLU A 69 -9.550 -1.791 8.686 1.00 0.00 O ATOM 1174 OE2 GLU A 69 -8.901 -3.259 7.185 1.00 0.00 O ATOM 0 H GLU A 69 -5.889 -0.142 10.790 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.274 -2.921 10.292 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -6.979 -0.810 9.215 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -6.135 -1.645 7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -6.999 -3.801 8.690 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -7.734 -3.051 10.092 1.00 0.00 H new ATOM 1181 N MET A 70 -3.662 -0.530 8.671 1.00 0.00 N ATOM 1182 CA MET A 70 -2.458 -0.253 7.892 1.00 0.00 C ATOM 1183 C MET A 70 -1.216 -0.821 8.576 1.00 0.00 C ATOM 1184 O MET A 70 -1.310 -1.461 9.623 1.00 0.00 O ATOM 1185 CB MET A 70 -2.297 1.252 7.675 1.00 0.00 C ATOM 1186 CG MET A 70 -1.936 2.026 8.935 1.00 0.00 C ATOM 1187 SD MET A 70 -1.381 3.706 8.583 1.00 0.00 S ATOM 1188 CE MET A 70 -2.239 4.040 7.046 1.00 0.00 C ATOM 0 H MET A 70 -4.229 0.292 8.878 1.00 0.00 H new ATOM 0 HA MET A 70 -2.567 -0.741 6.923 1.00 0.00 H new ATOM 0 HB2 MET A 70 -1.524 1.420 6.925 1.00 0.00 H new ATOM 0 HB3 MET A 70 -3.227 1.651 7.270 1.00 0.00 H new ATOM 0 HG2 MET A 70 -2.803 2.065 9.594 1.00 0.00 H new ATOM 0 HG3 MET A 70 -1.151 1.493 9.472 1.00 0.00 H new ATOM 0 HE1 MET A 70 -2.036 5.064 6.731 1.00 0.00 H new ATOM 0 HE2 MET A 70 -1.892 3.349 6.278 1.00 0.00 H new ATOM 0 HE3 MET A 70 -3.311 3.911 7.193 1.00 0.00 H new ATOM 1198 N CYS A 71 -0.053 -0.581 7.978 1.00 0.00 N ATOM 1199 CA CYS A 71 1.202 -1.069 8.533 1.00 0.00 C ATOM 1200 C CYS A 71 1.510 -0.382 9.860 1.00 0.00 C ATOM 1201 O CYS A 71 1.793 -1.041 10.861 1.00 0.00 O ATOM 1202 CB CYS A 71 2.348 -0.839 7.548 1.00 0.00 C ATOM 1203 SG CYS A 71 3.619 -2.124 7.589 1.00 0.00 S ATOM 0 H CYS A 71 0.045 -0.053 7.111 1.00 0.00 H new ATOM 0 HA CYS A 71 1.099 -2.139 8.711 1.00 0.00 H new ATOM 0 HB2 CYS A 71 1.940 -0.778 6.539 1.00 0.00 H new ATOM 0 HB3 CYS A 71 2.812 0.124 7.764 1.00 0.00 H new ATOM 0 HG CYS A 71 3.653 -2.737 6.443 1.00 0.00 H new ATOM 1209 N GLU A 72 1.451 0.948 9.859 1.00 0.00 N ATOM 1210 CA GLU A 72 1.721 1.737 11.060 1.00 0.00 C ATOM 1211 C GLU A 72 3.215 1.789 11.365 1.00 0.00 C ATOM 1212 O GLU A 72 3.805 2.866 11.443 1.00 0.00 O ATOM 1213 CB GLU A 72 0.958 1.169 12.262 1.00 0.00 C ATOM 1214 CG GLU A 72 0.150 2.212 13.015 1.00 0.00 C ATOM 1215 CD GLU A 72 0.885 2.762 14.220 1.00 0.00 C ATOM 1216 OE1 GLU A 72 1.432 1.954 15.001 1.00 0.00 O ATOM 1217 OE2 GLU A 72 0.915 3.999 14.385 1.00 0.00 O ATOM 0 H GLU A 72 1.218 1.504 9.036 1.00 0.00 H new ATOM 0 HA GLU A 72 1.377 2.754 10.871 1.00 0.00 H new ATOM 0 HB2 GLU A 72 0.288 0.381 11.918 1.00 0.00 H new ATOM 0 HB3 GLU A 72 1.668 0.707 12.948 1.00 0.00 H new ATOM 0 HG2 GLU A 72 -0.097 3.031 12.340 1.00 0.00 H new ATOM 0 HG3 GLU A 72 -0.793 1.771 13.339 1.00 0.00 H new ATOM 1224 N LYS A 73 3.819 0.619 11.537 1.00 0.00 N ATOM 1225 CA LYS A 73 5.246 0.520 11.836 1.00 0.00 C ATOM 1226 C LYS A 73 6.069 1.422 10.920 1.00 0.00 C ATOM 1227 O LYS A 73 5.646 1.749 9.810 1.00 0.00 O ATOM 1228 CB LYS A 73 5.715 -0.930 11.695 1.00 0.00 C ATOM 1229 CG LYS A 73 5.467 -1.774 12.935 1.00 0.00 C ATOM 1230 CD LYS A 73 4.008 -2.187 13.049 1.00 0.00 C ATOM 1231 CE LYS A 73 3.763 -3.028 14.291 1.00 0.00 C ATOM 1232 NZ LYS A 73 3.560 -2.184 15.502 1.00 0.00 N ATOM 0 H LYS A 73 3.341 -0.280 11.474 1.00 0.00 H new ATOM 0 HA LYS A 73 5.396 0.851 12.864 1.00 0.00 H new ATOM 0 HB2 LYS A 73 5.205 -1.387 10.847 1.00 0.00 H new ATOM 0 HB3 LYS A 73 6.781 -0.938 11.468 1.00 0.00 H new ATOM 0 HG2 LYS A 73 6.096 -2.664 12.902 1.00 0.00 H new ATOM 0 HG3 LYS A 73 5.757 -1.212 13.823 1.00 0.00 H new ATOM 0 HD2 LYS A 73 3.378 -1.298 13.080 1.00 0.00 H new ATOM 0 HD3 LYS A 73 3.718 -2.752 12.163 1.00 0.00 H new ATOM 0 HE2 LYS A 73 2.887 -3.658 14.136 1.00 0.00 H new ATOM 0 HE3 LYS A 73 4.610 -3.695 14.451 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 3.396 -2.795 16.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 4.406 -1.601 15.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 2.736 -1.566 15.360 1.00 0.00 H new ATOM 1246 N ASN A 74 7.246 1.822 11.392 1.00 0.00 N ATOM 1247 CA ASN A 74 8.128 2.686 10.618 1.00 0.00 C ATOM 1248 C ASN A 74 8.808 1.906 9.496 1.00 0.00 C ATOM 1249 O ASN A 74 8.664 0.688 9.399 1.00 0.00 O ATOM 1250 CB ASN A 74 9.180 3.327 11.528 1.00 0.00 C ATOM 1251 CG ASN A 74 8.564 4.007 12.735 1.00 0.00 C ATOM 1252 OD1 ASN A 74 8.184 3.349 13.704 1.00 0.00 O ATOM 1253 ND2 ASN A 74 8.462 5.333 12.687 1.00 0.00 N ATOM 0 H ASN A 74 7.610 1.561 12.308 1.00 0.00 H new ATOM 0 HA ASN A 74 7.522 3.474 10.170 1.00 0.00 H new ATOM 0 HB2 ASN A 74 9.881 2.562 11.864 1.00 0.00 H new ATOM 0 HB3 ASN A 74 9.754 4.057 10.957 1.00 0.00 H new ATOM 0 HD21 ASN A 74 8.057 5.842 13.472 1.00 0.00 H new ATOM 0 HD22 ASN A 74 8.789 5.840 11.865 1.00 0.00 H new ATOM 1260 N LEU A 75 9.543 2.619 8.649 1.00 0.00 N ATOM 1261 CA LEU A 75 10.242 2.002 7.527 1.00 0.00 C ATOM 1262 C LEU A 75 11.215 0.925 7.999 1.00 0.00 C ATOM 1263 O LEU A 75 11.264 -0.171 7.437 1.00 0.00 O ATOM 1264 CB LEU A 75 10.996 3.064 6.727 1.00 0.00 C ATOM 1265 CG LEU A 75 10.126 3.910 5.795 1.00 0.00 C ATOM 1266 CD1 LEU A 75 9.350 3.021 4.839 1.00 0.00 C ATOM 1267 CD2 LEU A 75 9.179 4.784 6.602 1.00 0.00 C ATOM 0 H LEU A 75 9.670 3.629 8.719 1.00 0.00 H new ATOM 0 HA LEU A 75 9.494 1.529 6.890 1.00 0.00 H new ATOM 0 HB2 LEU A 75 11.507 3.728 7.424 1.00 0.00 H new ATOM 0 HB3 LEU A 75 11.766 2.571 6.133 1.00 0.00 H new ATOM 0 HG LEU A 75 10.776 4.558 5.208 1.00 0.00 H new ATOM 0 HD11 LEU A 75 8.737 3.639 4.184 1.00 0.00 H new ATOM 0 HD12 LEU A 75 10.047 2.437 4.239 1.00 0.00 H new ATOM 0 HD13 LEU A 75 8.708 2.348 5.408 1.00 0.00 H new ATOM 0 HD21 LEU A 75 8.567 5.380 5.924 1.00 0.00 H new ATOM 0 HD22 LEU A 75 8.534 4.153 7.214 1.00 0.00 H new ATOM 0 HD23 LEU A 75 9.756 5.447 7.247 1.00 0.00 H new ATOM 1279 N GLU A 76 11.991 1.242 9.027 1.00 0.00 N ATOM 1280 CA GLU A 76 12.969 0.300 9.567 1.00 0.00 C ATOM 1281 C GLU A 76 12.276 -0.859 10.273 1.00 0.00 C ATOM 1282 O GLU A 76 12.691 -2.012 10.152 1.00 0.00 O ATOM 1283 CB GLU A 76 13.917 1.006 10.541 1.00 0.00 C ATOM 1284 CG GLU A 76 14.217 2.450 10.171 1.00 0.00 C ATOM 1285 CD GLU A 76 15.646 2.849 10.487 1.00 0.00 C ATOM 1286 OE1 GLU A 76 16.561 2.391 9.772 1.00 0.00 O ATOM 1287 OE2 GLU A 76 15.849 3.619 11.449 1.00 0.00 O ATOM 0 H GLU A 76 11.964 2.143 9.505 1.00 0.00 H new ATOM 0 HA GLU A 76 13.547 -0.095 8.732 1.00 0.00 H new ATOM 0 HB2 GLU A 76 13.481 0.980 11.540 1.00 0.00 H new ATOM 0 HB3 GLU A 76 14.854 0.451 10.587 1.00 0.00 H new ATOM 0 HG2 GLU A 76 14.030 2.595 9.107 1.00 0.00 H new ATOM 0 HG3 GLU A 76 13.533 3.108 10.707 1.00 0.00 H new ATOM 1294 N GLU A 77 11.222 -0.544 11.016 1.00 0.00 N ATOM 1295 CA GLU A 77 10.472 -1.555 11.752 1.00 0.00 C ATOM 1296 C GLU A 77 9.767 -2.529 10.808 1.00 0.00 C ATOM 1297 O GLU A 77 9.443 -3.651 11.194 1.00 0.00 O ATOM 1298 CB GLU A 77 9.447 -0.890 12.672 1.00 0.00 C ATOM 1299 CG GLU A 77 8.894 -1.820 13.739 1.00 0.00 C ATOM 1300 CD GLU A 77 8.895 -1.193 15.119 1.00 0.00 C ATOM 1301 OE1 GLU A 77 9.919 -0.586 15.496 1.00 0.00 O ATOM 1302 OE2 GLU A 77 7.871 -1.309 15.825 1.00 0.00 O ATOM 0 H GLU A 77 10.866 0.406 11.125 1.00 0.00 H new ATOM 0 HA GLU A 77 11.184 -2.121 12.353 1.00 0.00 H new ATOM 0 HB2 GLU A 77 9.910 -0.030 13.156 1.00 0.00 H new ATOM 0 HB3 GLU A 77 8.622 -0.511 12.069 1.00 0.00 H new ATOM 0 HG2 GLU A 77 7.876 -2.105 13.475 1.00 0.00 H new ATOM 0 HG3 GLU A 77 9.486 -2.735 13.760 1.00 0.00 H new ATOM 1309 N THR A 78 9.530 -2.096 9.572 1.00 0.00 N ATOM 1310 CA THR A 78 8.861 -2.941 8.588 1.00 0.00 C ATOM 1311 C THR A 78 9.823 -3.982 8.019 1.00 0.00 C ATOM 1312 O THR A 78 9.694 -5.175 8.295 1.00 0.00 O ATOM 1313 CB THR A 78 8.281 -2.091 7.456 1.00 0.00 C ATOM 1314 OG1 THR A 78 8.872 -0.805 7.437 1.00 0.00 O ATOM 1315 CG2 THR A 78 6.781 -1.904 7.557 1.00 0.00 C ATOM 0 H THR A 78 9.790 -1.171 9.230 1.00 0.00 H new ATOM 0 HA THR A 78 8.046 -3.462 9.091 1.00 0.00 H new ATOM 0 HB THR A 78 8.504 -2.640 6.541 1.00 0.00 H new ATOM 0 HG1 THR A 78 9.783 -0.869 7.082 1.00 0.00 H new ATOM 0 HG21 THR A 78 6.434 -1.292 6.724 1.00 0.00 H new ATOM 0 HG22 THR A 78 6.290 -2.877 7.522 1.00 0.00 H new ATOM 0 HG23 THR A 78 6.539 -1.409 8.497 1.00 0.00 H new ATOM 1323 N GLY A 79 10.784 -3.523 7.226 1.00 0.00 N ATOM 1324 CA GLY A 79 11.751 -4.429 6.633 1.00 0.00 C ATOM 1325 C GLY A 79 11.833 -4.291 5.123 1.00 0.00 C ATOM 1326 O GLY A 79 12.820 -4.702 4.510 1.00 0.00 O ATOM 0 H GLY A 79 10.911 -2.541 6.983 1.00 0.00 H new ATOM 0 HA2 GLY A 79 12.733 -4.239 7.065 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.484 -5.455 6.886 1.00 0.00 H new ATOM 1330 N LEU A 80 10.794 -3.717 4.520 1.00 0.00 N ATOM 1331 CA LEU A 80 10.759 -3.531 3.066 1.00 0.00 C ATOM 1332 C LEU A 80 12.035 -2.851 2.578 1.00 0.00 C ATOM 1333 O LEU A 80 12.710 -3.348 1.677 1.00 0.00 O ATOM 1334 CB LEU A 80 9.537 -2.704 2.625 1.00 0.00 C ATOM 1335 CG LEU A 80 8.501 -2.390 3.709 1.00 0.00 C ATOM 1336 CD1 LEU A 80 7.507 -1.356 3.206 1.00 0.00 C ATOM 1337 CD2 LEU A 80 7.781 -3.659 4.142 1.00 0.00 C ATOM 0 H LEU A 80 9.968 -3.373 5.010 1.00 0.00 H new ATOM 0 HA LEU A 80 10.682 -4.522 2.619 1.00 0.00 H new ATOM 0 HB2 LEU A 80 9.894 -1.761 2.210 1.00 0.00 H new ATOM 0 HB3 LEU A 80 9.036 -3.238 1.818 1.00 0.00 H new ATOM 0 HG LEU A 80 9.019 -1.978 4.575 1.00 0.00 H new ATOM 0 HD11 LEU A 80 6.777 -1.143 3.987 1.00 0.00 H new ATOM 0 HD12 LEU A 80 8.036 -0.440 2.944 1.00 0.00 H new ATOM 0 HD13 LEU A 80 6.994 -1.743 2.326 1.00 0.00 H new ATOM 0 HD21 LEU A 80 7.049 -3.417 4.912 1.00 0.00 H new ATOM 0 HD22 LEU A 80 7.273 -4.100 3.284 1.00 0.00 H new ATOM 0 HD23 LEU A 80 8.505 -4.370 4.540 1.00 0.00 H new ATOM 1349 N THR A 81 12.357 -1.714 3.184 1.00 0.00 N ATOM 1350 CA THR A 81 13.553 -0.963 2.815 1.00 0.00 C ATOM 1351 C THR A 81 14.800 -1.824 2.977 1.00 0.00 C ATOM 1352 O THR A 81 15.621 -1.923 2.065 1.00 0.00 O ATOM 1353 CB THR A 81 13.674 0.299 3.668 1.00 0.00 C ATOM 1354 OG1 THR A 81 14.142 -0.016 4.968 1.00 0.00 O ATOM 1355 CG2 THR A 81 12.364 1.043 3.821 1.00 0.00 C ATOM 0 H THR A 81 11.808 -1.292 3.932 1.00 0.00 H new ATOM 0 HA THR A 81 13.464 -0.674 1.768 1.00 0.00 H new ATOM 0 HB THR A 81 14.380 0.939 3.139 1.00 0.00 H new ATOM 0 HG1 THR A 81 14.214 0.805 5.498 1.00 0.00 H new ATOM 0 HG21 THR A 81 12.518 1.929 4.437 1.00 0.00 H new ATOM 0 HG22 THR A 81 11.999 1.343 2.839 1.00 0.00 H new ATOM 0 HG23 THR A 81 11.630 0.393 4.297 1.00 0.00 H new ATOM 1363 N ARG A 82 14.929 -2.455 4.140 1.00 0.00 N ATOM 1364 CA ARG A 82 16.070 -3.317 4.415 1.00 0.00 C ATOM 1365 C ARG A 82 16.154 -4.437 3.381 1.00 0.00 C ATOM 1366 O ARG A 82 17.234 -4.956 3.096 1.00 0.00 O ATOM 1367 CB ARG A 82 15.965 -3.909 5.824 1.00 0.00 C ATOM 1368 CG ARG A 82 15.689 -2.875 6.903 1.00 0.00 C ATOM 1369 CD ARG A 82 16.722 -1.757 6.889 1.00 0.00 C ATOM 1370 NE ARG A 82 17.414 -1.633 8.169 1.00 0.00 N ATOM 1371 CZ ARG A 82 18.445 -2.394 8.533 1.00 0.00 C ATOM 1372 NH1 ARG A 82 18.906 -3.335 7.720 1.00 0.00 N ATOM 1373 NH2 ARG A 82 19.016 -2.211 9.715 1.00 0.00 N ATOM 0 H ARG A 82 14.258 -2.385 4.905 1.00 0.00 H new ATOM 0 HA ARG A 82 16.977 -2.716 4.354 1.00 0.00 H new ATOM 0 HB2 ARG A 82 15.170 -4.655 5.837 1.00 0.00 H new ATOM 0 HB3 ARG A 82 16.894 -4.428 6.060 1.00 0.00 H new ATOM 0 HG2 ARG A 82 14.694 -2.453 6.757 1.00 0.00 H new ATOM 0 HG3 ARG A 82 15.690 -3.359 7.880 1.00 0.00 H new ATOM 0 HD2 ARG A 82 17.450 -1.947 6.100 1.00 0.00 H new ATOM 0 HD3 ARG A 82 16.231 -0.814 6.650 1.00 0.00 H new ATOM 0 HE ARG A 82 17.089 -0.921 8.823 1.00 0.00 H new ATOM 0 HH11 ARG A 82 18.471 -3.480 6.809 1.00 0.00 H new ATOM 0 HH12 ARG A 82 19.696 -3.914 8.006 1.00 0.00 H new ATOM 0 HH21 ARG A 82 18.666 -1.489 10.344 1.00 0.00 H new ATOM 0 HH22 ARG A 82 19.806 -2.793 9.996 1.00 0.00 H new ATOM 1387 N LYS A 83 15.003 -4.797 2.820 1.00 0.00 N ATOM 1388 CA LYS A 83 14.936 -5.847 1.811 1.00 0.00 C ATOM 1389 C LYS A 83 15.782 -5.478 0.596 1.00 0.00 C ATOM 1390 O LYS A 83 16.633 -4.592 0.668 1.00 0.00 O ATOM 1391 CB LYS A 83 13.480 -6.077 1.391 1.00 0.00 C ATOM 1392 CG LYS A 83 13.066 -7.541 1.401 1.00 0.00 C ATOM 1393 CD LYS A 83 12.042 -7.825 2.489 1.00 0.00 C ATOM 1394 CE LYS A 83 11.624 -9.287 2.491 1.00 0.00 C ATOM 1395 NZ LYS A 83 12.618 -10.150 3.187 1.00 0.00 N ATOM 0 H LYS A 83 14.103 -4.375 3.048 1.00 0.00 H new ATOM 0 HA LYS A 83 15.332 -6.768 2.240 1.00 0.00 H new ATOM 0 HB2 LYS A 83 12.825 -5.519 2.060 1.00 0.00 H new ATOM 0 HB3 LYS A 83 13.332 -5.673 0.390 1.00 0.00 H new ATOM 0 HG2 LYS A 83 12.650 -7.809 0.430 1.00 0.00 H new ATOM 0 HG3 LYS A 83 13.945 -8.167 1.555 1.00 0.00 H new ATOM 0 HD2 LYS A 83 12.460 -7.563 3.461 1.00 0.00 H new ATOM 0 HD3 LYS A 83 11.165 -7.195 2.339 1.00 0.00 H new ATOM 0 HE2 LYS A 83 10.654 -9.386 2.978 1.00 0.00 H new ATOM 0 HE3 LYS A 83 11.502 -9.631 1.464 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 12.295 -11.138 3.166 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 13.538 -10.076 2.708 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 12.716 -9.839 4.175 1.00 0.00 H new ATOM 1409 N ARG A 84 15.544 -6.159 -0.521 1.00 0.00 N ATOM 1410 CA ARG A 84 16.287 -5.895 -1.748 1.00 0.00 C ATOM 1411 C ARG A 84 15.476 -5.014 -2.694 1.00 0.00 C ATOM 1412 O ARG A 84 14.830 -5.509 -3.618 1.00 0.00 O ATOM 1413 CB ARG A 84 16.657 -7.208 -2.439 1.00 0.00 C ATOM 1414 CG ARG A 84 18.078 -7.666 -2.151 1.00 0.00 C ATOM 1415 CD ARG A 84 18.936 -7.658 -3.405 1.00 0.00 C ATOM 1416 NE ARG A 84 18.443 -8.596 -4.411 1.00 0.00 N ATOM 1417 CZ ARG A 84 18.618 -9.914 -4.345 1.00 0.00 C ATOM 1418 NH1 ARG A 84 19.276 -10.452 -3.324 1.00 0.00 N ATOM 1419 NH2 ARG A 84 18.137 -10.697 -5.301 1.00 0.00 N ATOM 0 H ARG A 84 14.844 -6.896 -0.601 1.00 0.00 H new ATOM 0 HA ARG A 84 17.202 -5.365 -1.484 1.00 0.00 H new ATOM 0 HB2 ARG A 84 15.962 -7.985 -2.121 1.00 0.00 H new ATOM 0 HB3 ARG A 84 16.533 -7.090 -3.515 1.00 0.00 H new ATOM 0 HG2 ARG A 84 18.525 -7.015 -1.400 1.00 0.00 H new ATOM 0 HG3 ARG A 84 18.058 -8.671 -1.730 1.00 0.00 H new ATOM 0 HD2 ARG A 84 18.955 -6.652 -3.825 1.00 0.00 H new ATOM 0 HD3 ARG A 84 19.963 -7.913 -3.143 1.00 0.00 H new ATOM 0 HE ARG A 84 17.935 -8.219 -5.211 1.00 0.00 H new ATOM 0 HH11 ARG A 84 19.650 -9.855 -2.586 1.00 0.00 H new ATOM 0 HH12 ARG A 84 19.408 -11.462 -3.278 1.00 0.00 H new ATOM 0 HH21 ARG A 84 17.632 -10.290 -6.088 1.00 0.00 H new ATOM 0 HH22 ARG A 84 18.272 -11.707 -5.249 1.00 0.00 H new ATOM 1433 N GLY A 85 15.516 -3.708 -2.457 1.00 0.00 N ATOM 1434 CA GLY A 85 14.781 -2.778 -3.294 1.00 0.00 C ATOM 1435 C GLY A 85 13.295 -3.077 -3.330 1.00 0.00 C ATOM 1436 O GLY A 85 12.769 -3.524 -4.349 1.00 0.00 O ATOM 0 H GLY A 85 16.045 -3.276 -1.699 1.00 0.00 H new ATOM 0 HA2 GLY A 85 14.935 -1.764 -2.926 1.00 0.00 H new ATOM 0 HA3 GLY A 85 15.180 -2.814 -4.308 1.00 0.00 H new ATOM 1440 N ALA A 86 12.617 -2.833 -2.211 1.00 0.00 N ATOM 1441 CA ALA A 86 11.183 -3.081 -2.118 1.00 0.00 C ATOM 1442 C ALA A 86 10.385 -1.808 -2.387 1.00 0.00 C ATOM 1443 O ALA A 86 9.314 -1.609 -1.818 1.00 0.00 O ATOM 1444 CB ALA A 86 10.836 -3.643 -0.749 1.00 0.00 C ATOM 0 H ALA A 86 13.038 -2.464 -1.358 1.00 0.00 H new ATOM 0 HA ALA A 86 10.915 -3.813 -2.880 1.00 0.00 H new ATOM 0 HB1 ALA A 86 9.763 -3.824 -0.691 1.00 0.00 H new ATOM 0 HB2 ALA A 86 11.371 -4.580 -0.594 1.00 0.00 H new ATOM 0 HB3 ALA A 86 11.125 -2.928 0.022 1.00 0.00 H new ATOM 1450 N GLU A 87 10.914 -0.950 -3.254 1.00 0.00 N ATOM 1451 CA GLU A 87 10.248 0.304 -3.593 1.00 0.00 C ATOM 1452 C GLU A 87 9.781 0.310 -5.046 1.00 0.00 C ATOM 1453 O GLU A 87 10.478 -0.184 -5.932 1.00 0.00 O ATOM 1454 CB GLU A 87 11.190 1.485 -3.345 1.00 0.00 C ATOM 1455 CG GLU A 87 11.785 1.505 -1.947 1.00 0.00 C ATOM 1456 CD GLU A 87 13.268 1.190 -1.938 1.00 0.00 C ATOM 1457 OE1 GLU A 87 14.035 1.927 -2.593 1.00 0.00 O ATOM 1458 OE2 GLU A 87 13.663 0.205 -1.279 1.00 0.00 O ATOM 0 H GLU A 87 11.801 -1.100 -3.734 1.00 0.00 H new ATOM 0 HA GLU A 87 9.370 0.400 -2.954 1.00 0.00 H new ATOM 0 HB2 GLU A 87 11.999 1.453 -4.075 1.00 0.00 H new ATOM 0 HB3 GLU A 87 10.646 2.414 -3.513 1.00 0.00 H new ATOM 0 HG2 GLU A 87 11.624 2.487 -1.502 1.00 0.00 H new ATOM 0 HG3 GLU A 87 11.260 0.782 -1.323 1.00 0.00 H new ATOM 1465 N ILE A 88 8.603 0.880 -5.283 1.00 0.00 N ATOM 1466 CA ILE A 88 8.049 0.959 -6.632 1.00 0.00 C ATOM 1467 C ILE A 88 7.721 2.404 -6.999 1.00 0.00 C ATOM 1468 O ILE A 88 7.521 3.245 -6.123 1.00 0.00 O ATOM 1469 CB ILE A 88 6.781 0.075 -6.796 1.00 0.00 C ATOM 1470 CG1 ILE A 88 5.501 0.847 -6.445 1.00 0.00 C ATOM 1471 CG2 ILE A 88 6.888 -1.177 -5.941 1.00 0.00 C ATOM 1472 CD1 ILE A 88 5.479 1.379 -5.029 1.00 0.00 C ATOM 0 H ILE A 88 8.014 1.294 -4.560 1.00 0.00 H new ATOM 0 HA ILE A 88 8.813 0.579 -7.310 1.00 0.00 H new ATOM 0 HB ILE A 88 6.720 -0.215 -7.845 1.00 0.00 H new ATOM 0 HG12 ILE A 88 5.389 1.681 -7.138 1.00 0.00 H new ATOM 0 HG13 ILE A 88 4.641 0.193 -6.591 1.00 0.00 H new ATOM 0 HG21 ILE A 88 5.991 -1.783 -6.069 1.00 0.00 H new ATOM 0 HG22 ILE A 88 7.762 -1.753 -6.247 1.00 0.00 H new ATOM 0 HG23 ILE A 88 6.988 -0.894 -4.893 1.00 0.00 H new ATOM 0 HD11 ILE A 88 4.544 1.912 -4.855 1.00 0.00 H new ATOM 0 HD12 ILE A 88 5.559 0.549 -4.327 1.00 0.00 H new ATOM 0 HD13 ILE A 88 6.318 2.060 -4.883 1.00 0.00 H new ATOM 1484 N LEU A 89 7.662 2.684 -8.295 1.00 0.00 N ATOM 1485 CA LEU A 89 7.352 4.027 -8.766 1.00 0.00 C ATOM 1486 C LEU A 89 5.960 4.450 -8.299 1.00 0.00 C ATOM 1487 O LEU A 89 5.053 3.625 -8.198 1.00 0.00 O ATOM 1488 CB LEU A 89 7.436 4.092 -10.294 1.00 0.00 C ATOM 1489 CG LEU A 89 6.854 2.882 -11.030 1.00 0.00 C ATOM 1490 CD1 LEU A 89 5.734 3.315 -11.964 1.00 0.00 C ATOM 1491 CD2 LEU A 89 7.941 2.152 -11.803 1.00 0.00 C ATOM 0 H LEU A 89 7.824 2.002 -9.036 1.00 0.00 H new ATOM 0 HA LEU A 89 8.086 4.715 -8.346 1.00 0.00 H new ATOM 0 HB2 LEU A 89 6.916 4.988 -10.633 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.482 4.203 -10.580 1.00 0.00 H new ATOM 0 HG LEU A 89 6.440 2.196 -10.290 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.332 2.442 -12.479 1.00 0.00 H new ATOM 0 HD12 LEU A 89 4.942 3.792 -11.386 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.124 4.021 -12.697 1.00 0.00 H new ATOM 0 HD21 LEU A 89 7.508 1.295 -12.319 1.00 0.00 H new ATOM 0 HD22 LEU A 89 8.385 2.829 -12.533 1.00 0.00 H new ATOM 0 HD23 LEU A 89 8.710 1.808 -11.112 1.00 0.00 H new ATOM 1503 N PRO A 90 5.773 5.748 -8.000 1.00 0.00 N ATOM 1504 CA PRO A 90 4.484 6.275 -7.538 1.00 0.00 C ATOM 1505 C PRO A 90 3.370 6.072 -8.560 1.00 0.00 C ATOM 1506 O PRO A 90 2.191 6.050 -8.209 1.00 0.00 O ATOM 1507 CB PRO A 90 4.753 7.771 -7.328 1.00 0.00 C ATOM 1508 CG PRO A 90 5.980 8.062 -8.123 1.00 0.00 C ATOM 1509 CD PRO A 90 6.796 6.802 -8.089 1.00 0.00 C ATOM 0 HA PRO A 90 4.141 5.763 -6.639 1.00 0.00 H new ATOM 0 HB2 PRO A 90 3.911 8.374 -7.668 1.00 0.00 H new ATOM 0 HB3 PRO A 90 4.904 8.000 -6.273 1.00 0.00 H new ATOM 0 HG2 PRO A 90 5.727 8.337 -9.147 1.00 0.00 H new ATOM 0 HG3 PRO A 90 6.534 8.898 -7.696 1.00 0.00 H new ATOM 0 HD2 PRO A 90 7.410 6.694 -8.983 1.00 0.00 H new ATOM 0 HD3 PRO A 90 7.472 6.782 -7.234 1.00 0.00 H new ATOM 1517 N ARG A 91 3.751 5.927 -9.826 1.00 0.00 N ATOM 1518 CA ARG A 91 2.782 5.728 -10.897 1.00 0.00 C ATOM 1519 C ARG A 91 1.995 4.435 -10.697 1.00 0.00 C ATOM 1520 O ARG A 91 0.766 4.441 -10.704 1.00 0.00 O ATOM 1521 CB ARG A 91 3.490 5.705 -12.254 1.00 0.00 C ATOM 1522 CG ARG A 91 2.884 6.659 -13.272 1.00 0.00 C ATOM 1523 CD ARG A 91 2.114 5.913 -14.349 1.00 0.00 C ATOM 1524 NE ARG A 91 1.578 6.817 -15.362 1.00 0.00 N ATOM 1525 CZ ARG A 91 1.186 6.426 -16.574 1.00 0.00 C ATOM 1526 NH1 ARG A 91 1.271 5.149 -16.926 1.00 0.00 N ATOM 1527 NH2 ARG A 91 0.710 7.315 -17.435 1.00 0.00 N ATOM 0 H ARG A 91 4.723 5.944 -10.134 1.00 0.00 H new ATOM 0 HA ARG A 91 2.079 6.561 -10.873 1.00 0.00 H new ATOM 0 HB2 ARG A 91 4.540 5.959 -12.111 1.00 0.00 H new ATOM 0 HB3 ARG A 91 3.458 4.692 -12.654 1.00 0.00 H new ATOM 0 HG2 ARG A 91 2.218 7.357 -12.765 1.00 0.00 H new ATOM 0 HG3 ARG A 91 3.675 7.250 -13.733 1.00 0.00 H new ATOM 0 HD2 ARG A 91 2.770 5.183 -14.824 1.00 0.00 H new ATOM 0 HD3 ARG A 91 1.297 5.356 -13.891 1.00 0.00 H new ATOM 0 HE ARG A 91 1.499 7.807 -15.128 1.00 0.00 H new ATOM 0 HH11 ARG A 91 1.638 4.462 -16.267 1.00 0.00 H new ATOM 0 HH12 ARG A 91 0.970 4.855 -17.855 1.00 0.00 H new ATOM 0 HH21 ARG A 91 0.644 8.298 -17.169 1.00 0.00 H new ATOM 0 HH22 ARG A 91 0.410 7.016 -18.363 1.00 0.00 H new ATOM 1541 N GLN A 92 2.713 3.328 -10.527 1.00 0.00 N ATOM 1542 CA GLN A 92 2.082 2.024 -10.333 1.00 0.00 C ATOM 1543 C GLN A 92 1.153 2.033 -9.123 1.00 0.00 C ATOM 1544 O GLN A 92 -0.033 1.722 -9.237 1.00 0.00 O ATOM 1545 CB GLN A 92 3.149 0.941 -10.162 1.00 0.00 C ATOM 1546 CG GLN A 92 3.552 0.273 -11.467 1.00 0.00 C ATOM 1547 CD GLN A 92 2.729 -0.964 -11.767 1.00 0.00 C ATOM 1548 OE1 GLN A 92 2.848 -1.983 -11.086 1.00 0.00 O ATOM 1549 NE2 GLN A 92 1.889 -0.881 -12.792 1.00 0.00 N ATOM 0 H GLN A 92 3.733 3.307 -10.520 1.00 0.00 H new ATOM 0 HA GLN A 92 1.485 1.806 -11.219 1.00 0.00 H new ATOM 0 HB2 GLN A 92 4.033 1.383 -9.701 1.00 0.00 H new ATOM 0 HB3 GLN A 92 2.777 0.181 -9.474 1.00 0.00 H new ATOM 0 HG2 GLN A 92 3.442 0.985 -12.285 1.00 0.00 H new ATOM 0 HG3 GLN A 92 4.607 0.001 -11.421 1.00 0.00 H new ATOM 0 HE21 GLN A 92 1.823 -0.016 -13.329 1.00 0.00 H new ATOM 0 HE22 GLN A 92 1.309 -1.682 -13.043 1.00 0.00 H new ATOM 1558 N PHE A 93 1.698 2.392 -7.965 1.00 0.00 N ATOM 1559 CA PHE A 93 0.922 2.443 -6.730 1.00 0.00 C ATOM 1560 C PHE A 93 -0.364 3.236 -6.931 1.00 0.00 C ATOM 1561 O PHE A 93 -1.459 2.747 -6.647 1.00 0.00 O ATOM 1562 CB PHE A 93 1.754 3.070 -5.610 1.00 0.00 C ATOM 1563 CG PHE A 93 1.048 3.116 -4.285 1.00 0.00 C ATOM 1564 CD1 PHE A 93 0.645 1.947 -3.659 1.00 0.00 C ATOM 1565 CD2 PHE A 93 0.791 4.327 -3.664 1.00 0.00 C ATOM 1566 CE1 PHE A 93 -0.004 1.986 -2.438 1.00 0.00 C ATOM 1567 CE2 PHE A 93 0.143 4.374 -2.445 1.00 0.00 C ATOM 1568 CZ PHE A 93 -0.254 3.201 -1.831 1.00 0.00 C ATOM 0 H PHE A 93 2.678 2.653 -7.856 1.00 0.00 H new ATOM 0 HA PHE A 93 0.658 1.423 -6.450 1.00 0.00 H new ATOM 0 HB2 PHE A 93 2.680 2.506 -5.499 1.00 0.00 H new ATOM 0 HB3 PHE A 93 2.031 4.084 -5.899 1.00 0.00 H new ATOM 0 HD1 PHE A 93 0.840 0.995 -4.130 1.00 0.00 H new ATOM 0 HD2 PHE A 93 1.101 5.246 -4.139 1.00 0.00 H new ATOM 0 HE1 PHE A 93 -0.314 1.068 -1.961 1.00 0.00 H new ATOM 0 HE2 PHE A 93 -0.053 5.325 -1.973 1.00 0.00 H new ATOM 0 HZ PHE A 93 -0.759 3.235 -0.877 1.00 0.00 H new ATOM 1578 N GLU A 94 -0.228 4.457 -7.435 1.00 0.00 N ATOM 1579 CA GLU A 94 -1.385 5.306 -7.684 1.00 0.00 C ATOM 1580 C GLU A 94 -2.200 4.769 -8.856 1.00 0.00 C ATOM 1581 O GLU A 94 -3.385 5.079 -8.993 1.00 0.00 O ATOM 1582 CB GLU A 94 -0.951 6.749 -7.952 1.00 0.00 C ATOM 1583 CG GLU A 94 -1.538 7.748 -6.966 1.00 0.00 C ATOM 1584 CD GLU A 94 -0.473 8.486 -6.178 1.00 0.00 C ATOM 1585 OE1 GLU A 94 0.022 9.520 -6.674 1.00 0.00 O ATOM 1586 OE2 GLU A 94 -0.134 8.030 -5.065 1.00 0.00 O ATOM 0 H GLU A 94 0.668 4.879 -7.678 1.00 0.00 H new ATOM 0 HA GLU A 94 -2.012 5.297 -6.793 1.00 0.00 H new ATOM 0 HB2 GLU A 94 0.137 6.807 -7.913 1.00 0.00 H new ATOM 0 HB3 GLU A 94 -1.249 7.029 -8.962 1.00 0.00 H new ATOM 0 HG2 GLU A 94 -2.150 8.470 -7.507 1.00 0.00 H new ATOM 0 HG3 GLU A 94 -2.199 7.225 -6.275 1.00 0.00 H new ATOM 1593 N GLU A 95 -1.566 3.947 -9.694 1.00 0.00 N ATOM 1594 CA GLU A 95 -2.246 3.356 -10.838 1.00 0.00 C ATOM 1595 C GLU A 95 -3.410 2.509 -10.355 1.00 0.00 C ATOM 1596 O GLU A 95 -4.540 2.648 -10.826 1.00 0.00 O ATOM 1597 CB GLU A 95 -1.278 2.496 -11.654 1.00 0.00 C ATOM 1598 CG GLU A 95 -1.267 2.832 -13.136 1.00 0.00 C ATOM 1599 CD GLU A 95 -0.985 1.623 -14.006 1.00 0.00 C ATOM 1600 OE1 GLU A 95 -1.942 0.891 -14.334 1.00 0.00 O ATOM 1601 OE2 GLU A 95 0.194 1.406 -14.358 1.00 0.00 O ATOM 0 H GLU A 95 -0.586 3.679 -9.599 1.00 0.00 H new ATOM 0 HA GLU A 95 -2.619 4.156 -11.477 1.00 0.00 H new ATOM 0 HB2 GLU A 95 -0.271 2.619 -11.255 1.00 0.00 H new ATOM 0 HB3 GLU A 95 -1.545 1.446 -11.530 1.00 0.00 H new ATOM 0 HG2 GLU A 95 -2.230 3.259 -13.415 1.00 0.00 H new ATOM 0 HG3 GLU A 95 -0.513 3.596 -13.326 1.00 0.00 H new ATOM 1608 N ILE A 96 -3.123 1.638 -9.395 1.00 0.00 N ATOM 1609 CA ILE A 96 -4.139 0.774 -8.824 1.00 0.00 C ATOM 1610 C ILE A 96 -5.083 1.572 -7.938 1.00 0.00 C ATOM 1611 O ILE A 96 -6.283 1.301 -7.884 1.00 0.00 O ATOM 1612 CB ILE A 96 -3.507 -0.349 -7.994 1.00 0.00 C ATOM 1613 CG1 ILE A 96 -2.354 -0.996 -8.764 1.00 0.00 C ATOM 1614 CG2 ILE A 96 -4.555 -1.387 -7.619 1.00 0.00 C ATOM 1615 CD1 ILE A 96 -2.712 -1.385 -10.184 1.00 0.00 C ATOM 0 H ILE A 96 -2.192 1.514 -8.998 1.00 0.00 H new ATOM 0 HA ILE A 96 -4.696 0.335 -9.652 1.00 0.00 H new ATOM 0 HB ILE A 96 -3.107 0.080 -7.075 1.00 0.00 H new ATOM 0 HG12 ILE A 96 -1.512 -0.305 -8.788 1.00 0.00 H new ATOM 0 HG13 ILE A 96 -2.023 -1.884 -8.226 1.00 0.00 H new ATOM 0 HG21 ILE A 96 -4.090 -2.177 -7.030 1.00 0.00 H new ATOM 0 HG22 ILE A 96 -5.343 -0.913 -7.033 1.00 0.00 H new ATOM 0 HG23 ILE A 96 -4.984 -1.815 -8.525 1.00 0.00 H new ATOM 0 HD11 ILE A 96 -1.846 -1.837 -10.667 1.00 0.00 H new ATOM 0 HD12 ILE A 96 -3.534 -2.101 -10.169 1.00 0.00 H new ATOM 0 HD13 ILE A 96 -3.015 -0.497 -10.739 1.00 0.00 H new ATOM 1627 N TRP A 97 -4.530 2.569 -7.250 1.00 0.00 N ATOM 1628 CA TRP A 97 -5.321 3.422 -6.372 1.00 0.00 C ATOM 1629 C TRP A 97 -6.517 3.985 -7.127 1.00 0.00 C ATOM 1630 O TRP A 97 -7.631 4.033 -6.608 1.00 0.00 O ATOM 1631 CB TRP A 97 -4.462 4.566 -5.830 1.00 0.00 C ATOM 1632 CG TRP A 97 -4.957 5.121 -4.530 1.00 0.00 C ATOM 1633 CD1 TRP A 97 -5.334 6.409 -4.279 1.00 0.00 C ATOM 1634 CD2 TRP A 97 -5.126 4.405 -3.302 1.00 0.00 C ATOM 1635 NE1 TRP A 97 -5.731 6.536 -2.969 1.00 0.00 N ATOM 1636 CE2 TRP A 97 -5.611 5.318 -2.348 1.00 0.00 C ATOM 1637 CE3 TRP A 97 -4.915 3.077 -2.920 1.00 0.00 C ATOM 1638 CZ2 TRP A 97 -5.890 4.946 -1.034 1.00 0.00 C ATOM 1639 CZ3 TRP A 97 -5.189 2.709 -1.617 1.00 0.00 C ATOM 1640 CH2 TRP A 97 -5.673 3.637 -0.687 1.00 0.00 C ATOM 0 H TRP A 97 -3.538 2.804 -7.285 1.00 0.00 H new ATOM 0 HA TRP A 97 -5.679 2.823 -5.535 1.00 0.00 H new ATOM 0 HB2 TRP A 97 -3.440 4.211 -5.699 1.00 0.00 H new ATOM 0 HB3 TRP A 97 -4.429 5.367 -6.569 1.00 0.00 H new ATOM 0 HD1 TRP A 97 -5.322 7.210 -5.003 1.00 0.00 H new ATOM 0 HE1 TRP A 97 -6.061 7.396 -2.530 1.00 0.00 H new ATOM 0 HE3 TRP A 97 -4.545 2.352 -3.630 1.00 0.00 H new ATOM 0 HZ2 TRP A 97 -6.263 5.662 -0.316 1.00 0.00 H new ATOM 0 HZ3 TRP A 97 -5.027 1.686 -1.310 1.00 0.00 H new ATOM 0 HH2 TRP A 97 -5.879 3.316 0.323 1.00 0.00 H new ATOM 1651 N GLU A 98 -6.276 4.396 -8.365 1.00 0.00 N ATOM 1652 CA GLU A 98 -7.328 4.942 -9.213 1.00 0.00 C ATOM 1653 C GLU A 98 -8.067 3.823 -9.942 1.00 0.00 C ATOM 1654 O GLU A 98 -9.234 3.968 -10.307 1.00 0.00 O ATOM 1655 CB GLU A 98 -6.740 5.927 -10.225 1.00 0.00 C ATOM 1656 CG GLU A 98 -7.677 7.069 -10.576 1.00 0.00 C ATOM 1657 CD GLU A 98 -7.031 8.094 -11.487 1.00 0.00 C ATOM 1658 OE1 GLU A 98 -6.258 8.935 -10.981 1.00 0.00 O ATOM 1659 OE2 GLU A 98 -7.297 8.056 -12.707 1.00 0.00 O ATOM 0 H GLU A 98 -5.357 4.361 -8.806 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.038 5.471 -8.577 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.814 6.338 -9.823 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -6.481 5.388 -11.136 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -8.567 6.668 -11.060 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -8.006 7.559 -9.660 1.00 0.00 H new ATOM 1666 N ARG A 99 -7.375 2.706 -10.153 1.00 0.00 N ATOM 1667 CA ARG A 99 -7.955 1.558 -10.842 1.00 0.00 C ATOM 1668 C ARG A 99 -9.207 1.054 -10.130 1.00 0.00 C ATOM 1669 O ARG A 99 -10.262 0.906 -10.743 1.00 0.00 O ATOM 1670 CB ARG A 99 -6.927 0.430 -10.949 1.00 0.00 C ATOM 1671 CG ARG A 99 -7.203 -0.535 -12.092 1.00 0.00 C ATOM 1672 CD ARG A 99 -5.919 -1.155 -12.619 1.00 0.00 C ATOM 1673 NE ARG A 99 -6.116 -2.540 -13.041 1.00 0.00 N ATOM 1674 CZ ARG A 99 -6.437 -3.530 -12.212 1.00 0.00 C ATOM 1675 NH1 ARG A 99 -6.596 -3.294 -10.916 1.00 0.00 N ATOM 1676 NH2 ARG A 99 -6.600 -4.760 -12.680 1.00 0.00 N ATOM 0 H ARG A 99 -6.409 2.572 -9.855 1.00 0.00 H new ATOM 0 HA ARG A 99 -8.242 1.881 -11.843 1.00 0.00 H new ATOM 0 HB2 ARG A 99 -5.936 0.864 -11.081 1.00 0.00 H new ATOM 0 HB3 ARG A 99 -6.909 -0.125 -10.011 1.00 0.00 H new ATOM 0 HG2 ARG A 99 -7.875 -1.322 -11.751 1.00 0.00 H new ATOM 0 HG3 ARG A 99 -7.712 -0.009 -12.899 1.00 0.00 H new ATOM 0 HD2 ARG A 99 -5.551 -0.568 -13.460 1.00 0.00 H new ATOM 0 HD3 ARG A 99 -5.153 -1.117 -11.845 1.00 0.00 H new ATOM 0 HE ARG A 99 -6.001 -2.761 -14.030 1.00 0.00 H new ATOM 0 HH11 ARG A 99 -6.472 -2.350 -10.551 1.00 0.00 H new ATOM 0 HH12 ARG A 99 -6.842 -4.057 -10.285 1.00 0.00 H new ATOM 0 HH21 ARG A 99 -6.479 -4.947 -13.675 1.00 0.00 H new ATOM 0 HH22 ARG A 99 -6.846 -5.519 -12.045 1.00 0.00 H new ATOM 1690 N CYS A 100 -9.079 0.782 -8.835 1.00 0.00 N ATOM 1691 CA CYS A 100 -10.202 0.282 -8.049 1.00 0.00 C ATOM 1692 C CYS A 100 -11.049 1.430 -7.495 1.00 0.00 C ATOM 1693 O CYS A 100 -12.029 1.840 -8.117 1.00 0.00 O ATOM 1694 CB CYS A 100 -9.694 -0.611 -6.913 1.00 0.00 C ATOM 1695 SG CYS A 100 -8.825 -2.092 -7.474 1.00 0.00 S ATOM 0 H CYS A 100 -8.213 0.899 -8.309 1.00 0.00 H new ATOM 0 HA CYS A 100 -10.839 -0.311 -8.706 1.00 0.00 H new ATOM 0 HB2 CYS A 100 -9.026 -0.029 -6.278 1.00 0.00 H new ATOM 0 HB3 CYS A 100 -10.540 -0.911 -6.295 1.00 0.00 H new ATOM 0 HG CYS A 100 -7.795 -2.306 -6.711 1.00 0.00 H new ATOM 1701 N GLY A 101 -10.672 1.944 -6.326 1.00 0.00 N ATOM 1702 CA GLY A 101 -11.420 3.033 -5.723 1.00 0.00 C ATOM 1703 C GLY A 101 -10.679 3.684 -4.571 1.00 0.00 C ATOM 1704 O GLY A 101 -11.242 3.887 -3.495 1.00 0.00 O ATOM 0 H GLY A 101 -9.865 1.627 -5.788 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -11.635 3.785 -6.482 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -12.379 2.656 -5.367 1.00 0.00 H new ATOM 1708 N GLY A 102 -9.411 4.014 -4.798 1.00 0.00 N ATOM 1709 CA GLY A 102 -8.608 4.643 -3.767 1.00 0.00 C ATOM 1710 C GLY A 102 -9.053 6.060 -3.467 1.00 0.00 C ATOM 1711 O GLY A 102 -9.067 6.480 -2.311 1.00 0.00 O ATOM 0 H GLY A 102 -8.925 3.856 -5.681 1.00 0.00 H new ATOM 0 HA2 GLY A 102 -8.663 4.048 -2.855 1.00 0.00 H new ATOM 0 HA3 GLY A 102 -7.564 4.652 -4.080 1.00 0.00 H new ATOM 1715 N ILE A 103 -9.413 6.798 -4.512 1.00 0.00 N ATOM 1716 CA ILE A 103 -9.857 8.177 -4.354 1.00 0.00 C ATOM 1717 C ILE A 103 -11.222 8.245 -3.679 1.00 0.00 C ATOM 1718 O ILE A 103 -11.439 9.053 -2.775 1.00 0.00 O ATOM 1719 CB ILE A 103 -9.936 8.902 -5.711 1.00 0.00 C ATOM 1720 CG1 ILE A 103 -8.689 8.611 -6.551 1.00 0.00 C ATOM 1721 CG2 ILE A 103 -10.104 10.400 -5.500 1.00 0.00 C ATOM 1722 CD1 ILE A 103 -7.391 8.915 -5.835 1.00 0.00 C ATOM 0 H ILE A 103 -9.406 6.464 -5.476 1.00 0.00 H new ATOM 0 HA ILE A 103 -9.118 8.673 -3.725 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.805 8.530 -6.253 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -8.695 7.561 -6.844 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.734 9.198 -7.468 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.158 10.900 -6.467 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.021 10.588 -4.942 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -9.253 10.786 -4.939 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -6.551 8.685 -6.491 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -7.362 9.971 -5.566 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -7.323 8.309 -4.932 1.00 0.00 H new ATOM 1734 N GLN A 104 -12.143 7.396 -4.123 1.00 0.00 N ATOM 1735 CA GLN A 104 -13.488 7.367 -3.562 1.00 0.00 C ATOM 1736 C GLN A 104 -13.445 7.072 -2.065 1.00 0.00 C ATOM 1737 O GLN A 104 -14.064 7.775 -1.267 1.00 0.00 O ATOM 1738 CB GLN A 104 -14.343 6.320 -4.281 1.00 0.00 C ATOM 1739 CG GLN A 104 -15.392 6.923 -5.203 1.00 0.00 C ATOM 1740 CD GLN A 104 -15.011 6.818 -6.668 1.00 0.00 C ATOM 1741 OE1 GLN A 104 -15.759 6.273 -7.478 1.00 0.00 O ATOM 1742 NE2 GLN A 104 -13.840 7.341 -7.012 1.00 0.00 N ATOM 0 H GLN A 104 -11.982 6.719 -4.869 1.00 0.00 H new ATOM 0 HA GLN A 104 -13.938 8.349 -3.707 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.692 5.667 -4.862 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.839 5.695 -3.538 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -16.345 6.419 -5.042 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -15.539 7.972 -4.944 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -13.252 7.784 -6.306 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -13.529 7.300 -7.982 1.00 0.00 H new ATOM 1751 N TYR A 105 -12.704 6.033 -1.691 1.00 0.00 N ATOM 1752 CA TYR A 105 -12.576 5.654 -0.287 1.00 0.00 C ATOM 1753 C TYR A 105 -11.985 6.803 0.522 1.00 0.00 C ATOM 1754 O TYR A 105 -12.527 7.197 1.556 1.00 0.00 O ATOM 1755 CB TYR A 105 -11.697 4.408 -0.153 1.00 0.00 C ATOM 1756 CG TYR A 105 -11.463 3.979 1.279 1.00 0.00 C ATOM 1757 CD1 TYR A 105 -12.437 3.286 1.985 1.00 0.00 C ATOM 1758 CD2 TYR A 105 -10.264 4.267 1.921 1.00 0.00 C ATOM 1759 CE1 TYR A 105 -12.225 2.894 3.294 1.00 0.00 C ATOM 1760 CE2 TYR A 105 -10.046 3.876 3.228 1.00 0.00 C ATOM 1761 CZ TYR A 105 -11.028 3.189 3.910 1.00 0.00 C ATOM 1762 OH TYR A 105 -10.813 2.798 5.211 1.00 0.00 O ATOM 0 H TYR A 105 -12.184 5.440 -2.338 1.00 0.00 H new ATOM 0 HA TYR A 105 -13.568 5.428 0.103 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -12.162 3.586 -0.698 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -10.735 4.601 -0.627 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -13.375 3.049 1.504 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -9.492 4.804 1.390 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -12.994 2.359 3.831 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -9.110 4.108 3.714 1.00 0.00 H new ATOM 0 HH TYR A 105 -9.919 2.406 5.291 1.00 0.00 H new ATOM 1772 N LEU A 106 -10.873 7.342 0.033 1.00 0.00 N ATOM 1773 CA LEU A 106 -10.204 8.455 0.696 1.00 0.00 C ATOM 1774 C LEU A 106 -11.159 9.634 0.849 1.00 0.00 C ATOM 1775 O LEU A 106 -11.265 10.230 1.920 1.00 0.00 O ATOM 1776 CB LEU A 106 -8.967 8.868 -0.102 1.00 0.00 C ATOM 1777 CG LEU A 106 -7.662 8.921 0.693 1.00 0.00 C ATOM 1778 CD1 LEU A 106 -7.587 10.198 1.510 1.00 0.00 C ATOM 1779 CD2 LEU A 106 -7.523 7.700 1.592 1.00 0.00 C ATOM 0 H LEU A 106 -10.416 7.025 -0.822 1.00 0.00 H new ATOM 0 HA LEU A 106 -9.891 8.137 1.691 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -8.840 8.171 -0.930 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -9.148 9.851 -0.537 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.833 8.915 -0.015 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -6.651 10.218 2.069 1.00 0.00 H new ATOM 0 HD12 LEU A 106 -7.630 11.059 0.843 1.00 0.00 H new ATOM 0 HD13 LEU A 106 -8.426 10.235 2.205 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -6.587 7.761 2.147 1.00 0.00 H new ATOM 0 HD22 LEU A 106 -8.358 7.666 2.292 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -7.525 6.797 0.982 1.00 0.00 H new ATOM 1791 N GLN A 107 -11.862 9.955 -0.233 1.00 0.00 N ATOM 1792 CA GLN A 107 -12.823 11.051 -0.232 1.00 0.00 C ATOM 1793 C GLN A 107 -13.915 10.809 0.807 1.00 0.00 C ATOM 1794 O GLN A 107 -14.481 11.751 1.363 1.00 0.00 O ATOM 1795 CB GLN A 107 -13.452 11.201 -1.621 1.00 0.00 C ATOM 1796 CG GLN A 107 -12.997 12.442 -2.369 1.00 0.00 C ATOM 1797 CD GLN A 107 -13.171 13.710 -1.556 1.00 0.00 C ATOM 1798 OE1 GLN A 107 -14.260 13.998 -1.059 1.00 0.00 O ATOM 1799 NE2 GLN A 107 -12.097 14.478 -1.421 1.00 0.00 N ATOM 0 H GLN A 107 -11.783 9.468 -1.126 1.00 0.00 H new ATOM 0 HA GLN A 107 -12.295 11.970 0.024 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -13.210 10.320 -2.216 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -14.537 11.228 -1.517 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -11.948 12.332 -2.643 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -13.562 12.530 -3.297 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -11.214 14.200 -1.850 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -12.154 15.346 -0.888 1.00 0.00 H new ATOM 1808 N SER A 108 -14.204 9.536 1.059 1.00 0.00 N ATOM 1809 CA SER A 108 -15.227 9.153 2.027 1.00 0.00 C ATOM 1810 C SER A 108 -14.801 9.528 3.440 1.00 0.00 C ATOM 1811 O SER A 108 -15.548 10.175 4.174 1.00 0.00 O ATOM 1812 CB SER A 108 -15.501 7.650 1.945 1.00 0.00 C ATOM 1813 OG SER A 108 -15.761 7.251 0.611 1.00 0.00 O ATOM 0 H SER A 108 -13.742 8.749 0.604 1.00 0.00 H new ATOM 0 HA SER A 108 -16.142 9.694 1.786 1.00 0.00 H new ATOM 0 HB2 SER A 108 -14.644 7.099 2.332 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.353 7.398 2.576 1.00 0.00 H new ATOM 0 HG SER A 108 -14.920 7.217 0.110 1.00 0.00 H new ATOM 1819 N ALA A 109 -13.586 9.136 3.808 1.00 0.00 N ATOM 1820 CA ALA A 109 -13.055 9.454 5.127 1.00 0.00 C ATOM 1821 C ALA A 109 -12.763 10.943 5.209 1.00 0.00 C ATOM 1822 O ALA A 109 -12.918 11.574 6.256 1.00 0.00 O ATOM 1823 CB ALA A 109 -11.796 8.645 5.402 1.00 0.00 C ATOM 0 H ALA A 109 -12.953 8.600 3.214 1.00 0.00 H new ATOM 0 HA ALA A 109 -13.795 9.194 5.884 1.00 0.00 H new ATOM 0 HB1 ALA A 109 -11.412 8.894 6.391 1.00 0.00 H new ATOM 0 HB2 ALA A 109 -12.031 7.581 5.361 1.00 0.00 H new ATOM 0 HB3 ALA A 109 -11.042 8.879 4.651 1.00 0.00 H new ATOM 1829 N ILE A 110 -12.353 11.497 4.074 1.00 0.00 N ATOM 1830 CA ILE A 110 -12.047 12.911 3.967 1.00 0.00 C ATOM 1831 C ILE A 110 -13.251 13.746 4.394 1.00 0.00 C ATOM 1832 O ILE A 110 -13.128 14.667 5.202 1.00 0.00 O ATOM 1833 CB ILE A 110 -11.641 13.256 2.516 1.00 0.00 C ATOM 1834 CG1 ILE A 110 -10.152 12.991 2.306 1.00 0.00 C ATOM 1835 CG2 ILE A 110 -11.976 14.697 2.174 1.00 0.00 C ATOM 1836 CD1 ILE A 110 -9.748 12.928 0.848 1.00 0.00 C ATOM 0 H ILE A 110 -12.225 10.977 3.206 1.00 0.00 H new ATOM 0 HA ILE A 110 -11.213 13.142 4.629 1.00 0.00 H new ATOM 0 HB ILE A 110 -12.213 12.614 1.846 1.00 0.00 H new ATOM 0 HG12 ILE A 110 -9.579 13.775 2.800 1.00 0.00 H new ATOM 0 HG13 ILE A 110 -9.887 12.050 2.789 1.00 0.00 H new ATOM 0 HG21 ILE A 110 -11.677 14.906 1.147 1.00 0.00 H new ATOM 0 HG22 ILE A 110 -13.049 14.856 2.279 1.00 0.00 H new ATOM 0 HG23 ILE A 110 -11.442 15.365 2.850 1.00 0.00 H new ATOM 0 HD11 ILE A 110 -8.677 12.737 0.775 1.00 0.00 H new ATOM 0 HD12 ILE A 110 -10.294 12.125 0.353 1.00 0.00 H new ATOM 0 HD13 ILE A 110 -9.981 13.877 0.365 1.00 0.00 H new ATOM 1848 N GLU A 111 -14.416 13.407 3.855 1.00 0.00 N ATOM 1849 CA GLU A 111 -15.647 14.112 4.188 1.00 0.00 C ATOM 1850 C GLU A 111 -16.088 13.763 5.605 1.00 0.00 C ATOM 1851 O GLU A 111 -16.667 14.589 6.309 1.00 0.00 O ATOM 1852 CB GLU A 111 -16.752 13.755 3.191 1.00 0.00 C ATOM 1853 CG GLU A 111 -16.503 14.288 1.791 1.00 0.00 C ATOM 1854 CD GLU A 111 -17.062 15.684 1.590 1.00 0.00 C ATOM 1855 OE1 GLU A 111 -16.938 16.511 2.516 1.00 0.00 O ATOM 1856 OE2 GLU A 111 -17.624 15.948 0.506 1.00 0.00 O ATOM 0 H GLU A 111 -14.534 12.647 3.185 1.00 0.00 H new ATOM 0 HA GLU A 111 -15.458 15.184 4.132 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -16.852 12.671 3.145 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -17.701 14.148 3.557 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -15.431 14.298 1.596 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -16.953 13.612 1.064 1.00 0.00 H new ATOM 1863 N SER A 112 -15.800 12.531 6.016 1.00 0.00 N ATOM 1864 CA SER A 112 -16.154 12.067 7.353 1.00 0.00 C ATOM 1865 C SER A 112 -15.227 12.669 8.406 1.00 0.00 C ATOM 1866 O SER A 112 -15.466 12.530 9.606 1.00 0.00 O ATOM 1867 CB SER A 112 -16.092 10.540 7.416 1.00 0.00 C ATOM 1868 OG SER A 112 -17.117 10.021 8.245 1.00 0.00 O ATOM 0 H SER A 112 -15.322 11.836 5.442 1.00 0.00 H new ATOM 0 HA SER A 112 -17.172 12.394 7.565 1.00 0.00 H new ATOM 0 HB2 SER A 112 -16.189 10.127 6.412 1.00 0.00 H new ATOM 0 HB3 SER A 112 -15.119 10.228 7.797 1.00 0.00 H new ATOM 0 HG SER A 112 -17.056 9.043 8.267 1.00 0.00 H new ATOM 1874 N ARG A 113 -14.165 13.334 7.948 1.00 0.00 N ATOM 1875 CA ARG A 113 -13.195 13.960 8.844 1.00 0.00 C ATOM 1876 C ARG A 113 -12.379 12.909 9.585 1.00 0.00 C ATOM 1877 O ARG A 113 -11.949 13.124 10.719 1.00 0.00 O ATOM 1878 CB ARG A 113 -13.893 14.889 9.843 1.00 0.00 C ATOM 1879 CG ARG A 113 -14.083 16.304 9.326 1.00 0.00 C ATOM 1880 CD ARG A 113 -12.759 17.047 9.236 1.00 0.00 C ATOM 1881 NE ARG A 113 -12.196 17.322 10.556 1.00 0.00 N ATOM 1882 CZ ARG A 113 -10.928 17.674 10.763 1.00 0.00 C ATOM 1883 NH1 ARG A 113 -10.089 17.792 9.741 1.00 0.00 N ATOM 1884 NH2 ARG A 113 -10.498 17.906 11.995 1.00 0.00 N ATOM 0 H ARG A 113 -13.956 13.452 6.957 1.00 0.00 H new ATOM 0 HA ARG A 113 -12.517 14.556 8.233 1.00 0.00 H new ATOM 0 HB2 ARG A 113 -14.867 14.470 10.097 1.00 0.00 H new ATOM 0 HB3 ARG A 113 -13.310 14.923 10.764 1.00 0.00 H new ATOM 0 HG2 ARG A 113 -14.552 16.273 8.342 1.00 0.00 H new ATOM 0 HG3 ARG A 113 -14.761 16.845 9.986 1.00 0.00 H new ATOM 0 HD2 ARG A 113 -12.050 16.456 8.655 1.00 0.00 H new ATOM 0 HD3 ARG A 113 -12.905 17.986 8.701 1.00 0.00 H new ATOM 0 HE ARG A 113 -12.810 17.240 11.366 1.00 0.00 H new ATOM 0 HH11 ARG A 113 -10.414 17.613 8.791 1.00 0.00 H new ATOM 0 HH12 ARG A 113 -9.119 18.062 9.906 1.00 0.00 H new ATOM 0 HH21 ARG A 113 -11.138 17.815 12.784 1.00 0.00 H new ATOM 0 HH22 ARG A 113 -9.527 18.176 12.154 1.00 0.00 H new ATOM 1898 N GLN A 114 -12.162 11.773 8.931 1.00 0.00 N ATOM 1899 CA GLN A 114 -11.387 10.687 9.519 1.00 0.00 C ATOM 1900 C GLN A 114 -10.036 10.556 8.824 1.00 0.00 C ATOM 1901 O GLN A 114 -9.050 10.144 9.433 1.00 0.00 O ATOM 1902 CB GLN A 114 -12.158 9.368 9.418 1.00 0.00 C ATOM 1903 CG GLN A 114 -13.046 9.089 10.619 1.00 0.00 C ATOM 1904 CD GLN A 114 -13.295 7.609 10.827 1.00 0.00 C ATOM 1905 OE1 GLN A 114 -12.408 6.872 11.261 1.00 0.00 O ATOM 1906 NE2 GLN A 114 -14.506 7.162 10.513 1.00 0.00 N ATOM 0 H GLN A 114 -12.512 11.580 7.993 1.00 0.00 H new ATOM 0 HA GLN A 114 -11.217 10.917 10.571 1.00 0.00 H new ATOM 0 HB2 GLN A 114 -12.773 9.384 8.518 1.00 0.00 H new ATOM 0 HB3 GLN A 114 -11.447 8.549 9.304 1.00 0.00 H new ATOM 0 HG2 GLN A 114 -12.583 9.505 11.514 1.00 0.00 H new ATOM 0 HG3 GLN A 114 -14.000 9.599 10.487 1.00 0.00 H new ATOM 0 HE21 GLN A 114 -15.211 7.807 10.157 1.00 0.00 H new ATOM 0 HE22 GLN A 114 -14.731 6.174 10.628 1.00 0.00 H new ATOM 1915 N ALA A 115 -10.000 10.914 7.542 1.00 0.00 N ATOM 1916 CA ALA A 115 -8.771 10.843 6.761 1.00 0.00 C ATOM 1917 C ALA A 115 -7.788 11.924 7.196 1.00 0.00 C ATOM 1918 O ALA A 115 -7.936 13.092 6.835 1.00 0.00 O ATOM 1919 CB ALA A 115 -9.084 10.976 5.278 1.00 0.00 C ATOM 0 H ALA A 115 -10.809 11.256 7.024 1.00 0.00 H new ATOM 0 HA ALA A 115 -8.307 9.872 6.937 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -8.159 10.922 4.705 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -9.748 10.168 4.972 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -9.570 11.934 5.093 1.00 0.00 H new ATOM 1925 N ARG A 116 -6.788 11.530 7.977 1.00 0.00 N ATOM 1926 CA ARG A 116 -5.783 12.467 8.468 1.00 0.00 C ATOM 1927 C ARG A 116 -5.069 13.170 7.310 1.00 0.00 C ATOM 1928 O ARG A 116 -4.286 12.550 6.590 1.00 0.00 O ATOM 1929 CB ARG A 116 -4.762 11.735 9.341 1.00 0.00 C ATOM 1930 CG ARG A 116 -5.252 11.461 10.754 1.00 0.00 C ATOM 1931 CD ARG A 116 -4.098 11.373 11.739 1.00 0.00 C ATOM 1932 NE ARG A 116 -4.559 11.395 13.127 1.00 0.00 N ATOM 1933 CZ ARG A 116 -4.843 10.305 13.839 1.00 0.00 C ATOM 1934 NH1 ARG A 116 -4.710 9.096 13.308 1.00 0.00 N ATOM 1935 NH2 ARG A 116 -5.260 10.425 15.092 1.00 0.00 N ATOM 0 H ARG A 116 -6.651 10.567 8.284 1.00 0.00 H new ATOM 0 HA ARG A 116 -6.292 13.224 9.065 1.00 0.00 H new ATOM 0 HB2 ARG A 116 -4.503 10.789 8.866 1.00 0.00 H new ATOM 0 HB3 ARG A 116 -3.849 12.328 9.391 1.00 0.00 H new ATOM 0 HG2 ARG A 116 -5.935 12.252 11.063 1.00 0.00 H new ATOM 0 HG3 ARG A 116 -5.816 10.529 10.770 1.00 0.00 H new ATOM 0 HD2 ARG A 116 -3.536 10.457 11.558 1.00 0.00 H new ATOM 0 HD3 ARG A 116 -3.414 12.205 11.571 1.00 0.00 H new ATOM 0 HE ARG A 116 -4.670 12.303 13.579 1.00 0.00 H new ATOM 0 HH11 ARG A 116 -4.388 8.994 12.346 1.00 0.00 H new ATOM 0 HH12 ARG A 116 -4.930 8.269 13.862 1.00 0.00 H new ATOM 0 HH21 ARG A 116 -5.363 11.350 15.509 1.00 0.00 H new ATOM 0 HH22 ARG A 116 -5.478 9.592 15.639 1.00 0.00 H new ATOM 1949 N PRO A 117 -5.323 14.481 7.121 1.00 0.00 N ATOM 1950 CA PRO A 117 -4.690 15.266 6.051 1.00 0.00 C ATOM 1951 C PRO A 117 -3.172 15.099 6.034 1.00 0.00 C ATOM 1952 O PRO A 117 -2.452 15.848 6.694 1.00 0.00 O ATOM 1953 CB PRO A 117 -5.071 16.705 6.400 1.00 0.00 C ATOM 1954 CG PRO A 117 -6.348 16.580 7.155 1.00 0.00 C ATOM 1955 CD PRO A 117 -6.236 15.303 7.938 1.00 0.00 C ATOM 0 HA PRO A 117 -5.020 14.954 5.060 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.299 17.185 7.002 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.198 17.311 5.503 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -6.496 17.433 7.817 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -7.202 16.550 6.478 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -5.835 15.478 8.936 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -7.206 14.822 8.064 1.00 0.00 H new ATOM 1963 N THR A 118 -2.691 14.106 5.286 1.00 0.00 N ATOM 1964 CA THR A 118 -1.257 13.844 5.200 1.00 0.00 C ATOM 1965 C THR A 118 -0.836 13.440 3.784 1.00 0.00 C ATOM 1966 O THR A 118 -0.670 12.258 3.489 1.00 0.00 O ATOM 1967 CB THR A 118 -0.860 12.748 6.190 1.00 0.00 C ATOM 1968 OG1 THR A 118 0.452 12.283 5.926 1.00 0.00 O ATOM 1969 CG2 THR A 118 -1.786 11.552 6.163 1.00 0.00 C ATOM 0 H THR A 118 -3.271 13.474 4.734 1.00 0.00 H new ATOM 0 HA THR A 118 -0.740 14.770 5.452 1.00 0.00 H new ATOM 0 HB THR A 118 -0.923 13.213 7.174 1.00 0.00 H new ATOM 0 HG1 THR A 118 0.454 11.765 5.094 1.00 0.00 H new ATOM 0 HG21 THR A 118 -1.447 10.813 6.889 1.00 0.00 H new ATOM 0 HG22 THR A 118 -2.798 11.870 6.414 1.00 0.00 H new ATOM 0 HG23 THR A 118 -1.781 11.111 5.166 1.00 0.00 H new ATOM 1977 N TYR A 119 -0.646 14.438 2.924 1.00 0.00 N ATOM 1978 CA TYR A 119 -0.222 14.213 1.543 1.00 0.00 C ATOM 1979 C TYR A 119 -1.267 13.459 0.726 1.00 0.00 C ATOM 1980 O TYR A 119 -1.803 13.991 -0.242 1.00 0.00 O ATOM 1981 CB TYR A 119 1.104 13.455 1.503 1.00 0.00 C ATOM 1982 CG TYR A 119 1.774 13.503 0.149 1.00 0.00 C ATOM 1983 CD1 TYR A 119 1.868 14.696 -0.556 1.00 0.00 C ATOM 1984 CD2 TYR A 119 2.305 12.358 -0.427 1.00 0.00 C ATOM 1985 CE1 TYR A 119 2.473 14.748 -1.797 1.00 0.00 C ATOM 1986 CE2 TYR A 119 2.914 12.402 -1.669 1.00 0.00 C ATOM 1987 CZ TYR A 119 2.996 13.598 -2.349 1.00 0.00 C ATOM 1988 OH TYR A 119 3.600 13.644 -3.583 1.00 0.00 O ATOM 0 H TYR A 119 -0.781 15.421 3.162 1.00 0.00 H new ATOM 0 HA TYR A 119 -0.096 15.197 1.092 1.00 0.00 H new ATOM 0 HB2 TYR A 119 1.778 13.874 2.250 1.00 0.00 H new ATOM 0 HB3 TYR A 119 0.930 12.415 1.779 1.00 0.00 H new ATOM 0 HD1 TYR A 119 1.461 15.599 -0.126 1.00 0.00 H new ATOM 0 HD2 TYR A 119 2.242 11.418 0.102 1.00 0.00 H new ATOM 0 HE1 TYR A 119 2.536 15.684 -2.332 1.00 0.00 H new ATOM 0 HE2 TYR A 119 3.324 11.502 -2.104 1.00 0.00 H new ATOM 0 HH TYR A 119 3.916 12.749 -3.826 1.00 0.00 H new ATOM 1998 N ALA A 120 -1.543 12.213 1.101 1.00 0.00 N ATOM 1999 CA ALA A 120 -2.515 11.403 0.373 1.00 0.00 C ATOM 2000 C ALA A 120 -3.852 12.123 0.242 1.00 0.00 C ATOM 2001 O ALA A 120 -4.388 12.267 -0.857 1.00 0.00 O ATOM 2002 CB ALA A 120 -2.703 10.060 1.062 1.00 0.00 C ATOM 0 H ALA A 120 -1.111 11.745 1.898 1.00 0.00 H new ATOM 0 HA ALA A 120 -2.126 11.236 -0.632 1.00 0.00 H new ATOM 0 HB1 ALA A 120 -3.430 9.466 0.509 1.00 0.00 H new ATOM 0 HB2 ALA A 120 -1.751 9.531 1.093 1.00 0.00 H new ATOM 0 HB3 ALA A 120 -3.063 10.220 2.078 1.00 0.00 H new ATOM 2008 N THR A 121 -4.379 12.584 1.369 1.00 0.00 N ATOM 2009 CA THR A 121 -5.649 13.297 1.383 1.00 0.00 C ATOM 2010 C THR A 121 -5.533 14.618 0.631 1.00 0.00 C ATOM 2011 O THR A 121 -6.383 14.951 -0.195 1.00 0.00 O ATOM 2012 CB THR A 121 -6.091 13.546 2.822 1.00 0.00 C ATOM 2013 OG1 THR A 121 -4.967 13.576 3.679 1.00 0.00 O ATOM 2014 CG2 THR A 121 -7.040 12.492 3.350 1.00 0.00 C ATOM 0 H THR A 121 -3.946 12.477 2.286 1.00 0.00 H new ATOM 0 HA THR A 121 -6.398 12.683 0.882 1.00 0.00 H new ATOM 0 HB THR A 121 -6.613 14.503 2.808 1.00 0.00 H new ATOM 0 HG1 THR A 121 -5.117 12.973 4.437 1.00 0.00 H new ATOM 0 HG21 THR A 121 -7.314 12.731 4.378 1.00 0.00 H new ATOM 0 HG22 THR A 121 -7.937 12.468 2.732 1.00 0.00 H new ATOM 0 HG23 THR A 121 -6.553 11.517 3.321 1.00 0.00 H new ATOM 2022 N ALA A 122 -4.467 15.367 0.914 1.00 0.00 N ATOM 2023 CA ALA A 122 -4.235 16.646 0.252 1.00 0.00 C ATOM 2024 C ALA A 122 -4.238 16.465 -1.262 1.00 0.00 C ATOM 2025 O ALA A 122 -5.014 17.097 -1.983 1.00 0.00 O ATOM 2026 CB ALA A 122 -2.910 17.243 0.708 1.00 0.00 C ATOM 0 H ALA A 122 -3.754 15.109 1.596 1.00 0.00 H new ATOM 0 HA ALA A 122 -5.039 17.330 0.524 1.00 0.00 H new ATOM 0 HB1 ALA A 122 -2.749 18.197 0.206 1.00 0.00 H new ATOM 0 HB2 ALA A 122 -2.933 17.399 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 122 -2.098 16.560 0.458 1.00 0.00 H new ATOM 2032 N MET A 123 -3.369 15.577 -1.727 1.00 0.00 N ATOM 2033 CA MET A 123 -3.254 15.270 -3.145 1.00 0.00 C ATOM 2034 C MET A 123 -4.613 14.884 -3.715 1.00 0.00 C ATOM 2035 O MET A 123 -4.920 15.184 -4.867 1.00 0.00 O ATOM 2036 CB MET A 123 -2.233 14.150 -3.359 1.00 0.00 C ATOM 2037 CG MET A 123 -1.984 13.817 -4.823 1.00 0.00 C ATOM 2038 SD MET A 123 -2.518 12.150 -5.252 1.00 0.00 S ATOM 2039 CE MET A 123 -4.146 12.134 -4.514 1.00 0.00 C ATOM 0 H MET A 123 -2.727 15.052 -1.134 1.00 0.00 H new ATOM 0 HA MET A 123 -2.905 16.158 -3.673 1.00 0.00 H new ATOM 0 HB2 MET A 123 -1.289 14.438 -2.896 1.00 0.00 H new ATOM 0 HB3 MET A 123 -2.579 13.253 -2.846 1.00 0.00 H new ATOM 0 HG2 MET A 123 -2.510 14.536 -5.450 1.00 0.00 H new ATOM 0 HG3 MET A 123 -0.921 13.922 -5.040 1.00 0.00 H new ATOM 0 HE1 MET A 123 -4.670 11.225 -4.809 1.00 0.00 H new ATOM 0 HE2 MET A 123 -4.054 12.164 -3.428 1.00 0.00 H new ATOM 0 HE3 MET A 123 -4.708 13.004 -4.854 1.00 0.00 H new ATOM 2049 N LEU A 124 -5.432 14.231 -2.894 1.00 0.00 N ATOM 2050 CA LEU A 124 -6.765 13.829 -3.319 1.00 0.00 C ATOM 2051 C LEU A 124 -7.605 15.063 -3.620 1.00 0.00 C ATOM 2052 O LEU A 124 -8.230 15.167 -4.679 1.00 0.00 O ATOM 2053 CB LEU A 124 -7.440 12.977 -2.240 1.00 0.00 C ATOM 2054 CG LEU A 124 -8.084 11.684 -2.751 1.00 0.00 C ATOM 2055 CD1 LEU A 124 -7.383 10.469 -2.164 1.00 0.00 C ATOM 2056 CD2 LEU A 124 -9.568 11.657 -2.422 1.00 0.00 C ATOM 0 H LEU A 124 -5.195 13.971 -1.936 1.00 0.00 H new ATOM 0 HA LEU A 124 -6.678 13.228 -4.224 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -6.699 12.722 -1.482 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -8.205 13.578 -1.749 1.00 0.00 H new ATOM 0 HG LEU A 124 -7.974 11.653 -3.835 1.00 0.00 H new ATOM 0 HD11 LEU A 124 -7.855 9.561 -2.539 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -6.333 10.479 -2.455 1.00 0.00 H new ATOM 0 HD13 LEU A 124 -7.459 10.495 -1.077 1.00 0.00 H new ATOM 0 HD21 LEU A 124 -10.006 10.731 -2.793 1.00 0.00 H new ATOM 0 HD22 LEU A 124 -9.702 11.714 -1.342 1.00 0.00 H new ATOM 0 HD23 LEU A 124 -10.061 12.507 -2.895 1.00 0.00 H new ATOM 2068 N GLN A 125 -7.595 16.010 -2.686 1.00 0.00 N ATOM 2069 CA GLN A 125 -8.336 17.254 -2.852 1.00 0.00 C ATOM 2070 C GLN A 125 -8.005 17.878 -4.198 1.00 0.00 C ATOM 2071 O GLN A 125 -8.881 18.390 -4.895 1.00 0.00 O ATOM 2072 CB GLN A 125 -8.000 18.231 -1.722 1.00 0.00 C ATOM 2073 CG GLN A 125 -8.293 17.683 -0.336 1.00 0.00 C ATOM 2074 CD GLN A 125 -9.777 17.513 -0.079 1.00 0.00 C ATOM 2075 OE1 GLN A 125 -10.605 17.797 -0.945 1.00 0.00 O ATOM 2076 NE2 GLN A 125 -10.121 17.047 1.115 1.00 0.00 N ATOM 0 H GLN A 125 -7.082 15.939 -1.807 1.00 0.00 H new ATOM 0 HA GLN A 125 -9.403 17.034 -2.814 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.944 18.495 -1.783 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -8.567 19.150 -1.867 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -7.795 16.721 -0.217 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.873 18.355 0.413 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -9.401 16.825 1.802 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -11.105 16.911 1.345 1.00 0.00 H new ATOM 2085 N ASN A 126 -6.730 17.810 -4.565 1.00 0.00 N ATOM 2086 CA ASN A 126 -6.278 18.346 -5.841 1.00 0.00 C ATOM 2087 C ASN A 126 -6.605 17.371 -6.962 1.00 0.00 C ATOM 2088 O ASN A 126 -6.890 17.775 -8.089 1.00 0.00 O ATOM 2089 CB ASN A 126 -4.774 18.626 -5.804 1.00 0.00 C ATOM 2090 CG ASN A 126 -4.370 19.465 -4.609 1.00 0.00 C ATOM 2091 OD1 ASN A 126 -5.199 19.801 -3.762 1.00 0.00 O ATOM 2092 ND2 ASN A 126 -3.089 19.810 -4.533 1.00 0.00 N ATOM 0 H ASN A 126 -5.994 17.390 -3.998 1.00 0.00 H new ATOM 0 HA ASN A 126 -6.798 19.286 -6.027 1.00 0.00 H new ATOM 0 HB2 ASN A 126 -4.232 17.681 -5.780 1.00 0.00 H new ATOM 0 HB3 ASN A 126 -4.480 19.139 -6.720 1.00 0.00 H new ATOM 0 HD21 ASN A 126 -2.759 20.375 -3.751 1.00 0.00 H new ATOM 0 HD22 ASN A 126 -2.436 19.510 -5.257 1.00 0.00 H new ATOM 2099 N LEU A 127 -6.583 16.082 -6.637 1.00 0.00 N ATOM 2100 CA LEU A 127 -6.899 15.044 -7.607 1.00 0.00 C ATOM 2101 C LEU A 127 -8.314 15.242 -8.146 1.00 0.00 C ATOM 2102 O LEU A 127 -8.654 14.751 -9.222 1.00 0.00 O ATOM 2103 CB LEU A 127 -6.774 13.661 -6.961 1.00 0.00 C ATOM 2104 CG LEU A 127 -6.171 12.575 -7.856 1.00 0.00 C ATOM 2105 CD1 LEU A 127 -4.690 12.394 -7.550 1.00 0.00 C ATOM 2106 CD2 LEU A 127 -6.918 11.258 -7.681 1.00 0.00 C ATOM 0 H LEU A 127 -6.349 15.733 -5.708 1.00 0.00 H new ATOM 0 HA LEU A 127 -6.193 15.112 -8.434 1.00 0.00 H new ATOM 0 HB2 LEU A 127 -6.162 13.751 -6.064 1.00 0.00 H new ATOM 0 HB3 LEU A 127 -7.764 13.337 -6.640 1.00 0.00 H new ATOM 0 HG LEU A 127 -6.273 12.891 -8.894 1.00 0.00 H new ATOM 0 HD11 LEU A 127 -4.277 11.618 -8.195 1.00 0.00 H new ATOM 0 HD12 LEU A 127 -4.164 13.332 -7.728 1.00 0.00 H new ATOM 0 HD13 LEU A 127 -4.567 12.102 -6.507 1.00 0.00 H new ATOM 0 HD21 LEU A 127 -6.474 10.499 -8.326 1.00 0.00 H new ATOM 0 HD22 LEU A 127 -6.850 10.936 -6.642 1.00 0.00 H new ATOM 0 HD23 LEU A 127 -7.965 11.395 -7.950 1.00 0.00 H new ATOM 2118 N LEU A 128 -9.134 15.965 -7.385 1.00 0.00 N ATOM 2119 CA LEU A 128 -10.510 16.232 -7.781 1.00 0.00 C ATOM 2120 C LEU A 128 -10.930 17.641 -7.377 1.00 0.00 C ATOM 2121 O LEU A 128 -11.636 17.829 -6.386 1.00 0.00 O ATOM 2122 CB LEU A 128 -11.448 15.208 -7.150 1.00 0.00 C ATOM 2123 CG LEU A 128 -11.321 15.086 -5.633 1.00 0.00 C ATOM 2124 CD1 LEU A 128 -12.607 15.524 -4.950 1.00 0.00 C ATOM 2125 CD2 LEU A 128 -10.961 13.660 -5.239 1.00 0.00 C ATOM 0 H LEU A 128 -8.866 16.375 -6.490 1.00 0.00 H new ATOM 0 HA LEU A 128 -10.572 16.153 -8.866 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -12.476 15.475 -7.396 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -11.256 14.233 -7.598 1.00 0.00 H new ATOM 0 HG LEU A 128 -10.518 15.745 -5.302 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -12.496 15.429 -3.870 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -12.818 16.563 -5.204 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -13.430 14.894 -5.286 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -10.875 13.593 -4.154 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -11.740 12.980 -5.584 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -10.010 13.385 -5.696 1.00 0.00 H new ATOM 2137 N LYS A 129 -10.491 18.628 -8.151 1.00 0.00 N ATOM 2138 CA LYS A 129 -10.822 20.022 -7.873 1.00 0.00 C ATOM 2139 C LYS A 129 -12.332 20.237 -7.887 1.00 0.00 C ATOM 2140 O LYS A 129 -12.869 20.721 -6.869 1.00 0.00 O ATOM 2141 CB LYS A 129 -10.155 20.941 -8.899 1.00 0.00 C ATOM 2142 CG LYS A 129 -8.646 20.765 -8.984 1.00 0.00 C ATOM 2143 CD LYS A 129 -7.936 21.480 -7.846 1.00 0.00 C ATOM 2144 CE LYS A 129 -7.261 22.757 -8.319 1.00 0.00 C ATOM 2145 NZ LYS A 129 -7.023 23.711 -7.201 1.00 0.00 N ATOM 2146 OXT LYS A 129 -12.964 19.922 -8.917 1.00 0.00 O ATOM 0 H LYS A 129 -9.906 18.489 -8.975 1.00 0.00 H new ATOM 0 HA LYS A 129 -10.448 20.266 -6.879 1.00 0.00 H new ATOM 0 HB2 LYS A 129 -10.590 20.752 -9.880 1.00 0.00 H new ATOM 0 HB3 LYS A 129 -10.378 21.977 -8.645 1.00 0.00 H new ATOM 0 HG2 LYS A 129 -8.401 19.703 -8.957 1.00 0.00 H new ATOM 0 HG3 LYS A 129 -8.287 21.151 -9.938 1.00 0.00 H new ATOM 0 HD2 LYS A 129 -8.654 21.717 -7.061 1.00 0.00 H new ATOM 0 HD3 LYS A 129 -7.191 20.816 -7.407 1.00 0.00 H new ATOM 0 HE2 LYS A 129 -6.311 22.510 -8.793 1.00 0.00 H new ATOM 0 HE3 LYS A 129 -7.881 23.235 -9.077 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 -6.561 24.568 -7.568 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 -7.931 23.967 -6.764 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 -6.410 23.265 -6.489 1.00 0.00 H new TER 2160 LYS A 129