USER MOD reduce.3.24.130724 H: found=0, std=0, add=732, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 763 hydrogens (33 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 88 GLN : amide:sc= -0.173 K(o=-0.39,f=-2) USER MOD Set 1.2: A 101 MET CE :methyl -126:sc= -0.057 (180deg=-2.06!) USER MOD Set 1.3: A 105 ASN : amide:sc= -0.156 K(o=-0.39,f=-2) USER MOD Set 2.1: A 73 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 2.2: A 91 SER OG : rot 180:sc= 0 USER MOD Set 3.1: A 61 MET CE :methyl -156:sc= -0.0362 (180deg=-0.396) USER MOD Set 3.2: A 66 TYR OH : rot 180:sc= 0 USER MOD Set 4.1: A 35 LYS NZ :NH3+ 148:sc= 0.995 (180deg=-0.0527) USER MOD Set 4.2: A 38 HIS : no HD1:sc= 0.9 K(o=1.9,f=-1.9) USER MOD Single : A 23 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 25 ASN : amide:sc= -0.0225 K(o=-0.023,f=-0.91) USER MOD Single : A 26 GLN : amide:sc= 1.38 K(o=1.4,f=-3.5!) USER MOD Single : A 30 LYS NZ :NH3+ 175:sc= 0.869 (180deg=0.853) USER MOD Single : A 43 GLN : amide:sc= -0.518 X(o=-0.52,f=-0.95) USER MOD Single : A 46 MET CE :methyl -122:sc= 0 (180deg=-0.15) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0.627 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 MET CE :methyl -178:sc= -0.914 (180deg=-0.944) USER MOD Single : A 54 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 55 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 GLN : amide:sc= 0.621 K(o=0.62,f=-0.26) USER MOD Single : A 59 TYR OH : rot 172:sc= 1.26 USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 GLN : amide:sc= 0.771 K(o=0.77,f=-0.17) USER MOD Single : A 68 GLN : amide:sc= 0.905 K(o=0.91,f=-0.0059) USER MOD Single : A 69 GLN : amide:sc= 0.226 X(o=0.23,f=0) USER MOD Single : A 71 GLN : amide:sc= 0.603 K(o=0.6,f=0) USER MOD Single : A 72 HIS : no HD1:sc= 0.66 K(o=0.66,f=-3.1!) USER MOD Single : A 75 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 CYS SG : rot 110:sc= 0.374 USER MOD Single : A 89 SER OG : rot -138:sc= 0.295 USER MOD Single : A 93 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 99 TYR OH : rot 180:sc= 0 USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0.0355 USER MOD Single : A 111 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLN A 23 3.928 12.603 11.929 1.00 0.00 N ATOM 2 CA GLN A 23 5.258 12.118 12.307 1.00 0.00 C ATOM 3 C GLN A 23 5.989 11.398 11.154 1.00 0.00 C ATOM 4 O GLN A 23 5.357 10.876 10.230 1.00 0.00 O ATOM 5 CB GLN A 23 5.159 11.241 13.571 1.00 0.00 C ATOM 6 CG GLN A 23 4.354 9.942 13.379 1.00 0.00 C ATOM 7 CD GLN A 23 4.248 9.145 14.679 1.00 0.00 C ATOM 8 OE1 GLN A 23 4.996 8.206 14.930 1.00 0.00 O ATOM 9 NE2 GLN A 23 3.330 9.484 15.562 1.00 0.00 N ATOM 0 HA GLN A 23 5.873 12.988 12.536 1.00 0.00 H new ATOM 0 HB2 GLN A 23 6.166 10.985 13.902 1.00 0.00 H new ATOM 0 HB3 GLN A 23 4.700 11.825 14.369 1.00 0.00 H new ATOM 0 HG2 GLN A 23 3.354 10.183 13.018 1.00 0.00 H new ATOM 0 HG3 GLN A 23 4.830 9.329 12.614 1.00 0.00 H new ATOM 0 HE21 GLN A 23 2.700 10.262 15.369 1.00 0.00 H new ATOM 0 HE22 GLN A 23 3.250 8.968 16.438 1.00 0.00 H new ATOM 18 N ILE A 24 7.326 11.358 11.217 1.00 0.00 N ATOM 19 CA ILE A 24 8.204 10.741 10.209 1.00 0.00 C ATOM 20 C ILE A 24 8.861 9.463 10.759 1.00 0.00 C ATOM 21 O ILE A 24 9.530 9.485 11.795 1.00 0.00 O ATOM 22 CB ILE A 24 9.254 11.769 9.725 1.00 0.00 C ATOM 23 CG1 ILE A 24 8.626 13.058 9.140 1.00 0.00 C ATOM 24 CG2 ILE A 24 10.230 11.156 8.706 1.00 0.00 C ATOM 25 CD1 ILE A 24 7.819 12.894 7.842 1.00 0.00 C ATOM 0 H ILE A 24 7.845 11.766 11.994 1.00 0.00 H new ATOM 0 HA ILE A 24 7.604 10.443 9.349 1.00 0.00 H new ATOM 0 HB ILE A 24 9.808 12.053 10.620 1.00 0.00 H new ATOM 0 HG12 ILE A 24 7.973 13.494 9.896 1.00 0.00 H new ATOM 0 HG13 ILE A 24 9.426 13.776 8.957 1.00 0.00 H new ATOM 0 HG21 ILE A 24 10.950 11.911 8.392 1.00 0.00 H new ATOM 0 HG22 ILE A 24 10.758 10.320 9.165 1.00 0.00 H new ATOM 0 HG23 ILE A 24 9.674 10.802 7.838 1.00 0.00 H new ATOM 0 HD11 ILE A 24 7.430 13.863 7.531 1.00 0.00 H new ATOM 0 HD12 ILE A 24 8.465 12.494 7.060 1.00 0.00 H new ATOM 0 HD13 ILE A 24 6.989 12.208 8.014 1.00 0.00 H new ATOM 37 N ASN A 25 8.706 8.359 10.023 1.00 0.00 N ATOM 38 CA ASN A 25 9.386 7.070 10.212 1.00 0.00 C ATOM 39 C ASN A 25 9.762 6.440 8.842 1.00 0.00 C ATOM 40 O ASN A 25 9.674 5.226 8.639 1.00 0.00 O ATOM 41 CB ASN A 25 8.492 6.170 11.092 1.00 0.00 C ATOM 42 CG ASN A 25 9.204 4.934 11.631 1.00 0.00 C ATOM 43 OD1 ASN A 25 10.425 4.841 11.689 1.00 0.00 O ATOM 44 ND2 ASN A 25 8.459 3.949 12.085 1.00 0.00 N ATOM 0 H ASN A 25 8.064 8.338 9.231 1.00 0.00 H new ATOM 0 HA ASN A 25 10.334 7.202 10.734 1.00 0.00 H new ATOM 0 HB2 ASN A 25 8.116 6.756 11.931 1.00 0.00 H new ATOM 0 HB3 ASN A 25 7.626 5.854 10.510 1.00 0.00 H new ATOM 0 HD21 ASN A 25 8.898 3.118 12.481 1.00 0.00 H new ATOM 0 HD22 ASN A 25 7.442 4.017 12.041 1.00 0.00 H new ATOM 51 N GLN A 26 10.116 7.294 7.872 1.00 0.00 N ATOM 52 CA GLN A 26 10.411 6.944 6.474 1.00 0.00 C ATOM 53 C GLN A 26 11.920 6.722 6.229 1.00 0.00 C ATOM 54 O GLN A 26 12.747 6.855 7.134 1.00 0.00 O ATOM 55 CB GLN A 26 9.819 8.020 5.531 1.00 0.00 C ATOM 56 CG GLN A 26 8.288 8.000 5.438 1.00 0.00 C ATOM 57 CD GLN A 26 7.559 8.815 6.503 1.00 0.00 C ATOM 58 OE1 GLN A 26 7.259 8.345 7.589 1.00 0.00 O ATOM 59 NE2 GLN A 26 7.240 10.063 6.252 1.00 0.00 N ATOM 0 H GLN A 26 10.209 8.294 8.048 1.00 0.00 H new ATOM 0 HA GLN A 26 9.934 5.989 6.253 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.138 9.004 5.875 1.00 0.00 H new ATOM 0 HB3 GLN A 26 10.234 7.881 4.533 1.00 0.00 H new ATOM 0 HG2 GLN A 26 7.995 8.372 4.456 1.00 0.00 H new ATOM 0 HG3 GLN A 26 7.950 6.966 5.501 1.00 0.00 H new ATOM 0 HE21 GLN A 26 7.479 10.480 5.352 1.00 0.00 H new ATOM 0 HE22 GLN A 26 6.753 10.616 6.957 1.00 0.00 H new ATOM 68 N VAL A 27 12.276 6.409 4.979 1.00 0.00 N ATOM 69 CA VAL A 27 13.659 6.284 4.475 1.00 0.00 C ATOM 70 C VAL A 27 14.050 7.511 3.636 1.00 0.00 C ATOM 71 O VAL A 27 13.192 8.305 3.243 1.00 0.00 O ATOM 72 CB VAL A 27 13.846 4.966 3.689 1.00 0.00 C ATOM 73 CG1 VAL A 27 13.726 3.756 4.622 1.00 0.00 C ATOM 74 CG2 VAL A 27 12.843 4.800 2.540 1.00 0.00 C ATOM 0 H VAL A 27 11.582 6.227 4.254 1.00 0.00 H new ATOM 0 HA VAL A 27 14.332 6.248 5.331 1.00 0.00 H new ATOM 0 HB VAL A 27 14.846 5.019 3.257 1.00 0.00 H new ATOM 0 HG11 VAL A 27 13.861 2.839 4.048 1.00 0.00 H new ATOM 0 HG12 VAL A 27 14.492 3.816 5.396 1.00 0.00 H new ATOM 0 HG13 VAL A 27 12.740 3.751 5.087 1.00 0.00 H new ATOM 0 HG21 VAL A 27 13.028 3.855 2.029 1.00 0.00 H new ATOM 0 HG22 VAL A 27 11.829 4.804 2.939 1.00 0.00 H new ATOM 0 HG23 VAL A 27 12.958 5.623 1.835 1.00 0.00 H new ATOM 84 N ARG A 28 15.353 7.712 3.399 1.00 0.00 N ATOM 85 CA ARG A 28 15.893 8.882 2.672 1.00 0.00 C ATOM 86 C ARG A 28 16.037 8.593 1.162 1.00 0.00 C ATOM 87 O ARG A 28 16.469 7.492 0.810 1.00 0.00 O ATOM 88 CB ARG A 28 17.260 9.297 3.251 1.00 0.00 C ATOM 89 CG ARG A 28 17.221 9.453 4.778 1.00 0.00 C ATOM 90 CD ARG A 28 18.266 10.447 5.284 1.00 0.00 C ATOM 91 NE ARG A 28 18.334 10.453 6.759 1.00 0.00 N ATOM 92 CZ ARG A 28 18.856 11.408 7.507 1.00 0.00 C ATOM 93 NH1 ARG A 28 19.511 12.405 6.991 1.00 0.00 N ATOM 94 NH2 ARG A 28 18.707 11.405 8.799 1.00 0.00 N ATOM 0 H ARG A 28 16.076 7.062 3.708 1.00 0.00 H new ATOM 0 HA ARG A 28 15.183 9.700 2.800 1.00 0.00 H new ATOM 0 HB2 ARG A 28 18.008 8.551 2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 28 17.573 10.238 2.799 1.00 0.00 H new ATOM 0 HG2 ARG A 28 16.229 9.786 5.082 1.00 0.00 H new ATOM 0 HG3 ARG A 28 17.389 8.483 5.245 1.00 0.00 H new ATOM 0 HD2 ARG A 28 19.243 10.190 4.874 1.00 0.00 H new ATOM 0 HD3 ARG A 28 18.023 11.447 4.925 1.00 0.00 H new ATOM 0 HE ARG A 28 17.942 9.646 7.244 1.00 0.00 H new ATOM 0 HH11 ARG A 28 19.634 12.466 5.980 1.00 0.00 H new ATOM 0 HH12 ARG A 28 19.902 13.127 7.597 1.00 0.00 H new ATOM 0 HH21 ARG A 28 18.180 10.657 9.250 1.00 0.00 H new ATOM 0 HH22 ARG A 28 19.117 12.151 9.361 1.00 0.00 H new ATOM 108 N PRO A 29 15.734 9.547 0.260 1.00 0.00 N ATOM 109 CA PRO A 29 16.045 9.443 -1.167 1.00 0.00 C ATOM 110 C PRO A 29 17.538 9.704 -1.435 1.00 0.00 C ATOM 111 O PRO A 29 18.306 10.024 -0.522 1.00 0.00 O ATOM 112 CB PRO A 29 15.129 10.476 -1.830 1.00 0.00 C ATOM 113 CG PRO A 29 15.061 11.590 -0.790 1.00 0.00 C ATOM 114 CD PRO A 29 15.077 10.816 0.529 1.00 0.00 C ATOM 0 HA PRO A 29 15.871 8.445 -1.568 1.00 0.00 H new ATOM 0 HB2 PRO A 29 15.539 10.831 -2.776 1.00 0.00 H new ATOM 0 HB3 PRO A 29 14.143 10.063 -2.044 1.00 0.00 H new ATOM 0 HG2 PRO A 29 15.908 12.272 -0.870 1.00 0.00 H new ATOM 0 HG3 PRO A 29 14.157 12.190 -0.897 1.00 0.00 H new ATOM 0 HD2 PRO A 29 15.611 11.373 1.298 1.00 0.00 H new ATOM 0 HD3 PRO A 29 14.063 10.657 0.897 1.00 0.00 H new ATOM 122 N LYS A 30 17.962 9.571 -2.699 1.00 0.00 N ATOM 123 CA LYS A 30 19.352 9.797 -3.117 1.00 0.00 C ATOM 124 C LYS A 30 19.718 11.286 -2.995 1.00 0.00 C ATOM 125 O LYS A 30 18.845 12.145 -3.093 1.00 0.00 O ATOM 126 CB LYS A 30 19.502 9.184 -4.521 1.00 0.00 C ATOM 127 CG LYS A 30 20.953 9.022 -4.988 1.00 0.00 C ATOM 128 CD LYS A 30 21.240 7.672 -5.663 1.00 0.00 C ATOM 129 CE LYS A 30 21.224 6.509 -4.657 1.00 0.00 C ATOM 130 NZ LYS A 30 21.349 5.197 -5.349 1.00 0.00 N ATOM 0 H LYS A 30 17.345 9.302 -3.466 1.00 0.00 H new ATOM 0 HA LYS A 30 20.076 9.304 -2.468 1.00 0.00 H new ATOM 0 HB2 LYS A 30 19.018 8.207 -4.532 1.00 0.00 H new ATOM 0 HB3 LYS A 30 18.970 9.811 -5.237 1.00 0.00 H new ATOM 0 HG2 LYS A 30 21.192 9.825 -5.686 1.00 0.00 H new ATOM 0 HG3 LYS A 30 21.616 9.137 -4.130 1.00 0.00 H new ATOM 0 HD2 LYS A 30 20.497 7.490 -6.439 1.00 0.00 H new ATOM 0 HD3 LYS A 30 22.212 7.712 -6.155 1.00 0.00 H new ATOM 0 HE2 LYS A 30 22.042 6.628 -3.947 1.00 0.00 H new ATOM 0 HE3 LYS A 30 20.298 6.534 -4.083 1.00 0.00 H new ATOM 0 HZ1 LYS A 30 21.421 4.437 -4.642 1.00 0.00 H new ATOM 0 HZ2 LYS A 30 20.512 5.038 -5.945 1.00 0.00 H new ATOM 0 HZ3 LYS A 30 22.202 5.198 -5.944 1.00 0.00 H new ATOM 144 N LEU A 31 20.993 11.625 -2.801 1.00 0.00 N ATOM 145 CA LEU A 31 21.399 13.001 -2.446 1.00 0.00 C ATOM 146 C LEU A 31 21.023 14.073 -3.496 1.00 0.00 C ATOM 147 O LEU A 31 20.435 15.083 -3.102 1.00 0.00 O ATOM 148 CB LEU A 31 22.888 13.043 -2.035 1.00 0.00 C ATOM 149 CG LEU A 31 23.243 12.234 -0.769 1.00 0.00 C ATOM 150 CD1 LEU A 31 24.745 12.339 -0.503 1.00 0.00 C ATOM 151 CD2 LEU A 31 22.506 12.724 0.481 1.00 0.00 C ATOM 0 H LEU A 31 21.770 10.969 -2.882 1.00 0.00 H new ATOM 0 HA LEU A 31 20.805 13.282 -1.576 1.00 0.00 H new ATOM 0 HB2 LEU A 31 23.488 12.670 -2.865 1.00 0.00 H new ATOM 0 HB3 LEU A 31 23.175 14.082 -1.875 1.00 0.00 H new ATOM 0 HG LEU A 31 22.937 11.205 -0.961 1.00 0.00 H new ATOM 0 HD11 LEU A 31 24.997 11.768 0.391 1.00 0.00 H new ATOM 0 HD12 LEU A 31 25.294 11.940 -1.356 1.00 0.00 H new ATOM 0 HD13 LEU A 31 25.016 13.384 -0.354 1.00 0.00 H new ATOM 0 HD21 LEU A 31 22.798 12.116 1.337 1.00 0.00 H new ATOM 0 HD22 LEU A 31 22.765 13.766 0.671 1.00 0.00 H new ATOM 0 HD23 LEU A 31 21.430 12.640 0.326 1.00 0.00 H new ATOM 163 N PRO A 32 21.209 13.865 -4.820 1.00 0.00 N ATOM 164 CA PRO A 32 20.700 14.806 -5.824 1.00 0.00 C ATOM 165 C PRO A 32 19.165 14.872 -5.872 1.00 0.00 C ATOM 166 O PRO A 32 18.608 15.911 -6.205 1.00 0.00 O ATOM 167 CB PRO A 32 21.300 14.373 -7.166 1.00 0.00 C ATOM 168 CG PRO A 32 22.525 13.557 -6.760 1.00 0.00 C ATOM 169 CD PRO A 32 22.070 12.885 -5.467 1.00 0.00 C ATOM 0 HA PRO A 32 21.000 15.822 -5.567 1.00 0.00 H new ATOM 0 HB2 PRO A 32 20.596 13.778 -7.748 1.00 0.00 H new ATOM 0 HB3 PRO A 32 21.574 15.231 -7.779 1.00 0.00 H new ATOM 0 HG2 PRO A 32 22.795 12.826 -7.522 1.00 0.00 H new ATOM 0 HG3 PRO A 32 23.398 14.190 -6.601 1.00 0.00 H new ATOM 0 HD2 PRO A 32 21.532 11.959 -5.671 1.00 0.00 H new ATOM 0 HD3 PRO A 32 22.920 12.627 -4.835 1.00 0.00 H new ATOM 177 N LEU A 33 18.463 13.803 -5.474 1.00 0.00 N ATOM 178 CA LEU A 33 16.997 13.765 -5.363 1.00 0.00 C ATOM 179 C LEU A 33 16.510 14.650 -4.202 1.00 0.00 C ATOM 180 O LEU A 33 15.609 15.462 -4.381 1.00 0.00 O ATOM 181 CB LEU A 33 16.560 12.284 -5.271 1.00 0.00 C ATOM 182 CG LEU A 33 15.164 11.896 -5.793 1.00 0.00 C ATOM 183 CD1 LEU A 33 14.014 12.604 -5.087 1.00 0.00 C ATOM 184 CD2 LEU A 33 15.030 12.142 -7.294 1.00 0.00 C ATOM 0 H LEU A 33 18.906 12.922 -5.215 1.00 0.00 H new ATOM 0 HA LEU A 33 16.521 14.191 -6.246 1.00 0.00 H new ATOM 0 HB2 LEU A 33 17.294 11.688 -5.813 1.00 0.00 H new ATOM 0 HB3 LEU A 33 16.617 11.986 -4.224 1.00 0.00 H new ATOM 0 HG LEU A 33 15.086 10.831 -5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 33 13.067 12.275 -5.514 1.00 0.00 H new ATOM 0 HD12 LEU A 33 14.036 12.363 -4.024 1.00 0.00 H new ATOM 0 HD13 LEU A 33 14.115 13.681 -5.217 1.00 0.00 H new ATOM 0 HD21 LEU A 33 14.031 11.855 -7.622 1.00 0.00 H new ATOM 0 HD22 LEU A 33 15.192 13.199 -7.505 1.00 0.00 H new ATOM 0 HD23 LEU A 33 15.771 11.548 -7.828 1.00 0.00 H new ATOM 196 N LEU A 34 17.184 14.614 -3.049 1.00 0.00 N ATOM 197 CA LEU A 34 16.947 15.563 -1.947 1.00 0.00 C ATOM 198 C LEU A 34 17.232 17.016 -2.387 1.00 0.00 C ATOM 199 O LEU A 34 16.467 17.921 -2.055 1.00 0.00 O ATOM 200 CB LEU A 34 17.756 15.061 -0.731 1.00 0.00 C ATOM 201 CG LEU A 34 17.511 15.752 0.631 1.00 0.00 C ATOM 202 CD1 LEU A 34 17.938 14.796 1.746 1.00 0.00 C ATOM 203 CD2 LEU A 34 18.363 17.009 0.788 1.00 0.00 C ATOM 0 H LEU A 34 17.911 13.927 -2.849 1.00 0.00 H new ATOM 0 HA LEU A 34 15.899 15.597 -1.651 1.00 0.00 H new ATOM 0 HB2 LEU A 34 17.552 13.997 -0.609 1.00 0.00 H new ATOM 0 HB3 LEU A 34 18.815 15.157 -0.970 1.00 0.00 H new ATOM 0 HG LEU A 34 16.455 16.016 0.683 1.00 0.00 H new ATOM 0 HD11 LEU A 34 17.772 15.269 2.714 1.00 0.00 H new ATOM 0 HD12 LEU A 34 17.351 13.879 1.684 1.00 0.00 H new ATOM 0 HD13 LEU A 34 18.996 14.558 1.636 1.00 0.00 H new ATOM 0 HD21 LEU A 34 18.162 17.466 1.757 1.00 0.00 H new ATOM 0 HD22 LEU A 34 19.418 16.744 0.723 1.00 0.00 H new ATOM 0 HD23 LEU A 34 18.117 17.716 -0.004 1.00 0.00 H new ATOM 215 N LYS A 35 18.253 17.245 -3.230 1.00 0.00 N ATOM 216 CA LYS A 35 18.491 18.550 -3.891 1.00 0.00 C ATOM 217 C LYS A 35 17.364 18.962 -4.852 1.00 0.00 C ATOM 218 O LYS A 35 16.994 20.131 -4.847 1.00 0.00 O ATOM 219 CB LYS A 35 19.860 18.567 -4.603 1.00 0.00 C ATOM 220 CG LYS A 35 21.021 19.209 -3.824 1.00 0.00 C ATOM 221 CD LYS A 35 21.432 18.511 -2.512 1.00 0.00 C ATOM 222 CE LYS A 35 20.565 18.861 -1.291 1.00 0.00 C ATOM 223 NZ LYS A 35 20.748 20.279 -0.858 1.00 0.00 N ATOM 0 H LYS A 35 18.940 16.533 -3.476 1.00 0.00 H new ATOM 0 HA LYS A 35 18.499 19.296 -3.096 1.00 0.00 H new ATOM 0 HB2 LYS A 35 20.135 17.540 -4.843 1.00 0.00 H new ATOM 0 HB3 LYS A 35 19.748 19.096 -5.549 1.00 0.00 H new ATOM 0 HG2 LYS A 35 21.892 19.248 -4.478 1.00 0.00 H new ATOM 0 HG3 LYS A 35 20.750 20.239 -3.593 1.00 0.00 H new ATOM 0 HD2 LYS A 35 21.398 17.432 -2.666 1.00 0.00 H new ATOM 0 HD3 LYS A 35 22.467 18.769 -2.290 1.00 0.00 H new ATOM 0 HE2 LYS A 35 19.516 18.688 -1.531 1.00 0.00 H new ATOM 0 HE3 LYS A 35 20.817 18.195 -0.466 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 19.857 20.638 -0.459 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 21.495 20.328 -0.137 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 21.019 20.860 -1.677 1.00 0.00 H new ATOM 237 N ILE A 36 16.756 18.044 -5.609 1.00 0.00 N ATOM 238 CA ILE A 36 15.548 18.315 -6.411 1.00 0.00 C ATOM 239 C ILE A 36 14.375 18.768 -5.525 1.00 0.00 C ATOM 240 O ILE A 36 13.702 19.739 -5.867 1.00 0.00 O ATOM 241 CB ILE A 36 15.190 17.087 -7.281 1.00 0.00 C ATOM 242 CG1 ILE A 36 16.285 16.864 -8.346 1.00 0.00 C ATOM 243 CG2 ILE A 36 13.826 17.267 -7.972 1.00 0.00 C ATOM 244 CD1 ILE A 36 16.280 15.457 -8.956 1.00 0.00 C ATOM 0 H ILE A 36 17.087 17.082 -5.687 1.00 0.00 H new ATOM 0 HA ILE A 36 15.760 19.143 -7.087 1.00 0.00 H new ATOM 0 HB ILE A 36 15.128 16.217 -6.627 1.00 0.00 H new ATOM 0 HG12 ILE A 36 16.157 17.596 -9.144 1.00 0.00 H new ATOM 0 HG13 ILE A 36 17.260 17.051 -7.896 1.00 0.00 H new ATOM 0 HG21 ILE A 36 13.605 16.387 -8.575 1.00 0.00 H new ATOM 0 HG22 ILE A 36 13.050 17.394 -7.217 1.00 0.00 H new ATOM 0 HG23 ILE A 36 13.856 18.148 -8.613 1.00 0.00 H new ATOM 0 HD11 ILE A 36 17.077 15.378 -9.695 1.00 0.00 H new ATOM 0 HD12 ILE A 36 16.440 14.719 -8.170 1.00 0.00 H new ATOM 0 HD13 ILE A 36 15.320 15.273 -9.437 1.00 0.00 H new ATOM 256 N LEU A 37 14.158 18.153 -4.356 1.00 0.00 N ATOM 257 CA LEU A 37 13.132 18.625 -3.412 1.00 0.00 C ATOM 258 C LEU A 37 13.476 20.006 -2.824 1.00 0.00 C ATOM 259 O LEU A 37 12.588 20.846 -2.682 1.00 0.00 O ATOM 260 CB LEU A 37 12.873 17.586 -2.305 1.00 0.00 C ATOM 261 CG LEU A 37 11.938 16.437 -2.730 1.00 0.00 C ATOM 262 CD1 LEU A 37 12.642 15.362 -3.545 1.00 0.00 C ATOM 263 CD2 LEU A 37 11.393 15.746 -1.488 1.00 0.00 C ATOM 0 H LEU A 37 14.675 17.332 -4.040 1.00 0.00 H new ATOM 0 HA LEU A 37 12.207 18.746 -3.976 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.826 17.165 -1.985 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.442 18.091 -1.441 1.00 0.00 H new ATOM 0 HG LEU A 37 11.158 16.892 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 37 11.929 14.582 -3.812 1.00 0.00 H new ATOM 0 HD12 LEU A 37 13.053 15.804 -4.452 1.00 0.00 H new ATOM 0 HD13 LEU A 37 13.449 14.928 -2.955 1.00 0.00 H new ATOM 0 HD21 LEU A 37 10.731 14.933 -1.785 1.00 0.00 H new ATOM 0 HD22 LEU A 37 12.220 15.345 -0.902 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.837 16.465 -0.886 1.00 0.00 H new ATOM 275 N HIS A 38 14.752 20.299 -2.553 1.00 0.00 N ATOM 276 CA HIS A 38 15.174 21.654 -2.154 1.00 0.00 C ATOM 277 C HIS A 38 14.921 22.681 -3.273 1.00 0.00 C ATOM 278 O HIS A 38 14.352 23.742 -3.012 1.00 0.00 O ATOM 279 CB HIS A 38 16.641 21.658 -1.691 1.00 0.00 C ATOM 280 CG HIS A 38 16.921 20.988 -0.360 1.00 0.00 C ATOM 281 ND1 HIS A 38 18.119 21.117 0.354 1.00 0.00 N ATOM 282 CD2 HIS A 38 16.078 20.182 0.354 1.00 0.00 C ATOM 283 CE1 HIS A 38 17.959 20.406 1.483 1.00 0.00 C ATOM 284 NE2 HIS A 38 16.750 19.823 1.502 1.00 0.00 N ATOM 0 H HIS A 38 15.512 19.621 -2.601 1.00 0.00 H new ATOM 0 HA HIS A 38 14.561 21.958 -1.305 1.00 0.00 H new ATOM 0 HB2 HIS A 38 17.244 21.168 -2.456 1.00 0.00 H new ATOM 0 HB3 HIS A 38 16.980 22.692 -1.633 1.00 0.00 H new ATOM 0 HD2 HIS A 38 15.079 19.884 0.072 1.00 0.00 H new ATOM 0 HE1 HIS A 38 18.699 20.316 2.265 1.00 0.00 H new ATOM 0 HE2 HIS A 38 16.390 19.218 2.240 1.00 0.00 H new ATOM 292 N ALA A 39 15.231 22.343 -4.530 1.00 0.00 N ATOM 293 CA ALA A 39 14.920 23.164 -5.708 1.00 0.00 C ATOM 294 C ALA A 39 13.406 23.362 -5.923 1.00 0.00 C ATOM 295 O ALA A 39 12.985 24.397 -6.446 1.00 0.00 O ATOM 296 CB ALA A 39 15.548 22.506 -6.942 1.00 0.00 C ATOM 0 H ALA A 39 15.714 21.475 -4.762 1.00 0.00 H new ATOM 0 HA ALA A 39 15.337 24.158 -5.543 1.00 0.00 H new ATOM 0 HB1 ALA A 39 15.326 23.104 -7.826 1.00 0.00 H new ATOM 0 HB2 ALA A 39 16.628 22.441 -6.810 1.00 0.00 H new ATOM 0 HB3 ALA A 39 15.137 21.504 -7.069 1.00 0.00 H new ATOM 302 N ALA A 40 12.582 22.404 -5.482 1.00 0.00 N ATOM 303 CA ALA A 40 11.124 22.517 -5.469 1.00 0.00 C ATOM 304 C ALA A 40 10.599 23.541 -4.436 1.00 0.00 C ATOM 305 O ALA A 40 9.432 23.934 -4.511 1.00 0.00 O ATOM 306 CB ALA A 40 10.528 21.128 -5.199 1.00 0.00 C ATOM 0 H ALA A 40 12.919 21.513 -5.118 1.00 0.00 H new ATOM 0 HA ALA A 40 10.810 22.890 -6.444 1.00 0.00 H new ATOM 0 HB1 ALA A 40 9.440 21.195 -5.186 1.00 0.00 H new ATOM 0 HB2 ALA A 40 10.840 20.439 -5.984 1.00 0.00 H new ATOM 0 HB3 ALA A 40 10.880 20.762 -4.235 1.00 0.00 H new ATOM 312 N GLY A 41 11.445 23.966 -3.484 1.00 0.00 N ATOM 313 CA GLY A 41 11.113 24.871 -2.375 1.00 0.00 C ATOM 314 C GLY A 41 10.912 24.181 -1.014 1.00 0.00 C ATOM 315 O GLY A 41 10.471 24.835 -0.065 1.00 0.00 O ATOM 0 H GLY A 41 12.422 23.674 -3.467 1.00 0.00 H new ATOM 0 HA2 GLY A 41 11.908 25.610 -2.278 1.00 0.00 H new ATOM 0 HA3 GLY A 41 10.203 25.414 -2.629 1.00 0.00 H new ATOM 319 N ALA A 42 11.209 22.880 -0.900 1.00 0.00 N ATOM 320 CA ALA A 42 11.002 22.076 0.310 1.00 0.00 C ATOM 321 C ALA A 42 12.259 21.949 1.200 1.00 0.00 C ATOM 322 O ALA A 42 13.364 22.345 0.821 1.00 0.00 O ATOM 323 CB ALA A 42 10.483 20.699 -0.125 1.00 0.00 C ATOM 0 H ALA A 42 11.611 22.343 -1.669 1.00 0.00 H new ATOM 0 HA ALA A 42 10.273 22.587 0.939 1.00 0.00 H new ATOM 0 HB1 ALA A 42 10.319 20.077 0.755 1.00 0.00 H new ATOM 0 HB2 ALA A 42 9.544 20.818 -0.665 1.00 0.00 H new ATOM 0 HB3 ALA A 42 11.217 20.222 -0.775 1.00 0.00 H new ATOM 329 N GLN A 43 12.085 21.343 2.379 1.00 0.00 N ATOM 330 CA GLN A 43 13.152 20.915 3.294 1.00 0.00 C ATOM 331 C GLN A 43 12.824 19.509 3.835 1.00 0.00 C ATOM 332 O GLN A 43 11.656 19.187 4.073 1.00 0.00 O ATOM 333 CB GLN A 43 13.330 21.968 4.409 1.00 0.00 C ATOM 334 CG GLN A 43 14.542 21.736 5.337 1.00 0.00 C ATOM 335 CD GLN A 43 14.347 20.660 6.414 1.00 0.00 C ATOM 336 OE1 GLN A 43 13.259 20.422 6.923 1.00 0.00 O ATOM 337 NE2 GLN A 43 15.393 19.957 6.802 1.00 0.00 N ATOM 0 H GLN A 43 11.155 21.127 2.739 1.00 0.00 H new ATOM 0 HA GLN A 43 14.106 20.844 2.772 1.00 0.00 H new ATOM 0 HB2 GLN A 43 13.427 22.951 3.948 1.00 0.00 H new ATOM 0 HB3 GLN A 43 12.425 21.989 5.016 1.00 0.00 H new ATOM 0 HG2 GLN A 43 15.401 21.462 4.724 1.00 0.00 H new ATOM 0 HG3 GLN A 43 14.788 22.678 5.828 1.00 0.00 H new ATOM 0 HE21 GLN A 43 16.309 20.138 6.392 1.00 0.00 H new ATOM 0 HE22 GLN A 43 15.286 19.233 7.512 1.00 0.00 H new ATOM 346 N GLY A 44 13.845 18.665 4.018 1.00 0.00 N ATOM 347 CA GLY A 44 13.680 17.301 4.531 1.00 0.00 C ATOM 348 C GLY A 44 14.919 16.417 4.438 1.00 0.00 C ATOM 349 O GLY A 44 15.976 16.831 3.961 1.00 0.00 O ATOM 0 H GLY A 44 14.814 18.910 3.813 1.00 0.00 H new ATOM 0 HA2 GLY A 44 13.371 17.358 5.575 1.00 0.00 H new ATOM 0 HA3 GLY A 44 12.869 16.820 3.984 1.00 0.00 H new ATOM 353 N GLU A 45 14.748 15.179 4.904 1.00 0.00 N ATOM 354 CA GLU A 45 15.776 14.130 4.976 1.00 0.00 C ATOM 355 C GLU A 45 15.190 12.760 4.579 1.00 0.00 C ATOM 356 O GLU A 45 15.652 12.135 3.631 1.00 0.00 O ATOM 357 CB GLU A 45 16.364 14.103 6.403 1.00 0.00 C ATOM 358 CG GLU A 45 17.305 15.281 6.700 1.00 0.00 C ATOM 359 CD GLU A 45 17.872 15.210 8.133 1.00 0.00 C ATOM 360 OE1 GLU A 45 17.163 15.599 9.093 1.00 0.00 O ATOM 361 OE2 GLU A 45 19.036 14.769 8.312 1.00 0.00 O ATOM 0 H GLU A 45 13.846 14.861 5.260 1.00 0.00 H new ATOM 0 HA GLU A 45 16.575 14.350 4.268 1.00 0.00 H new ATOM 0 HB2 GLU A 45 15.547 14.110 7.124 1.00 0.00 H new ATOM 0 HB3 GLU A 45 16.907 13.169 6.546 1.00 0.00 H new ATOM 0 HG2 GLU A 45 18.126 15.281 5.983 1.00 0.00 H new ATOM 0 HG3 GLU A 45 16.767 16.219 6.568 1.00 0.00 H new ATOM 368 N MET A 46 14.141 12.320 5.280 1.00 0.00 N ATOM 369 CA MET A 46 13.316 11.129 5.024 1.00 0.00 C ATOM 370 C MET A 46 11.957 11.513 4.401 1.00 0.00 C ATOM 371 O MET A 46 11.362 12.513 4.812 1.00 0.00 O ATOM 372 CB MET A 46 13.077 10.369 6.337 1.00 0.00 C ATOM 373 CG MET A 46 14.358 9.878 7.025 1.00 0.00 C ATOM 374 SD MET A 46 14.259 9.819 8.831 1.00 0.00 S ATOM 375 CE MET A 46 14.374 11.603 9.137 1.00 0.00 C ATOM 0 H MET A 46 13.819 12.824 6.106 1.00 0.00 H new ATOM 0 HA MET A 46 13.852 10.494 4.319 1.00 0.00 H new ATOM 0 HB2 MET A 46 12.535 11.018 7.025 1.00 0.00 H new ATOM 0 HB3 MET A 46 12.435 9.511 6.135 1.00 0.00 H new ATOM 0 HG2 MET A 46 14.597 8.882 6.653 1.00 0.00 H new ATOM 0 HG3 MET A 46 15.183 10.531 6.739 1.00 0.00 H new ATOM 0 HE1 MET A 46 15.230 11.807 9.780 1.00 0.00 H new ATOM 0 HE2 MET A 46 14.498 12.127 8.190 1.00 0.00 H new ATOM 0 HE3 MET A 46 13.463 11.948 9.626 1.00 0.00 H new ATOM 385 N PHE A 47 11.442 10.718 3.452 1.00 0.00 N ATOM 386 CA PHE A 47 10.195 11.004 2.713 1.00 0.00 C ATOM 387 C PHE A 47 9.516 9.724 2.172 1.00 0.00 C ATOM 388 O PHE A 47 10.208 8.797 1.746 1.00 0.00 O ATOM 389 CB PHE A 47 10.501 11.892 1.490 1.00 0.00 C ATOM 390 CG PHE A 47 11.193 13.232 1.699 1.00 0.00 C ATOM 391 CD1 PHE A 47 12.599 13.307 1.679 1.00 0.00 C ATOM 392 CD2 PHE A 47 10.443 14.420 1.794 1.00 0.00 C ATOM 393 CE1 PHE A 47 13.253 14.550 1.701 1.00 0.00 C ATOM 394 CE2 PHE A 47 11.094 15.667 1.829 1.00 0.00 C ATOM 395 CZ PHE A 47 12.497 15.733 1.747 1.00 0.00 C ATOM 0 H PHE A 47 11.884 9.843 3.169 1.00 0.00 H new ATOM 0 HA PHE A 47 9.529 11.495 3.422 1.00 0.00 H new ATOM 0 HB2 PHE A 47 11.117 11.308 0.806 1.00 0.00 H new ATOM 0 HB3 PHE A 47 9.557 12.086 0.981 1.00 0.00 H new ATOM 0 HD1 PHE A 47 13.181 12.398 1.646 1.00 0.00 H new ATOM 0 HD2 PHE A 47 9.365 14.374 1.840 1.00 0.00 H new ATOM 0 HE1 PHE A 47 14.332 14.596 1.683 1.00 0.00 H new ATOM 0 HE2 PHE A 47 10.516 16.575 1.919 1.00 0.00 H new ATOM 0 HZ PHE A 47 12.992 16.692 1.719 1.00 0.00 H new ATOM 405 N THR A 48 8.176 9.663 2.135 1.00 0.00 N ATOM 406 CA THR A 48 7.439 8.598 1.410 1.00 0.00 C ATOM 407 C THR A 48 7.459 8.847 -0.114 1.00 0.00 C ATOM 408 O THR A 48 7.828 9.933 -0.570 1.00 0.00 O ATOM 409 CB THR A 48 5.953 8.494 1.821 1.00 0.00 C ATOM 410 OG1 THR A 48 5.255 9.644 1.413 1.00 0.00 O ATOM 411 CG2 THR A 48 5.649 8.285 3.296 1.00 0.00 C ATOM 0 H THR A 48 7.571 10.340 2.600 1.00 0.00 H new ATOM 0 HA THR A 48 7.954 7.674 1.675 1.00 0.00 H new ATOM 0 HB THR A 48 5.630 7.583 1.317 1.00 0.00 H new ATOM 0 HG1 THR A 48 4.314 9.567 1.677 1.00 0.00 H new ATOM 0 HG21 THR A 48 4.570 8.230 3.441 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.108 7.356 3.634 1.00 0.00 H new ATOM 0 HG23 THR A 48 6.051 9.119 3.872 1.00 0.00 H new ATOM 419 N VAL A 49 6.976 7.889 -0.926 1.00 0.00 N ATOM 420 CA VAL A 49 6.722 8.113 -2.371 1.00 0.00 C ATOM 421 C VAL A 49 5.758 9.290 -2.576 1.00 0.00 C ATOM 422 O VAL A 49 6.000 10.122 -3.446 1.00 0.00 O ATOM 423 CB VAL A 49 6.223 6.813 -3.066 1.00 0.00 C ATOM 424 CG1 VAL A 49 5.087 6.976 -4.086 1.00 0.00 C ATOM 425 CG2 VAL A 49 7.368 6.154 -3.840 1.00 0.00 C ATOM 0 H VAL A 49 6.751 6.946 -0.609 1.00 0.00 H new ATOM 0 HA VAL A 49 7.665 8.379 -2.848 1.00 0.00 H new ATOM 0 HB VAL A 49 5.844 6.223 -2.231 1.00 0.00 H new ATOM 0 HG11 VAL A 49 4.828 6.002 -4.501 1.00 0.00 H new ATOM 0 HG12 VAL A 49 4.214 7.404 -3.593 1.00 0.00 H new ATOM 0 HG13 VAL A 49 5.411 7.638 -4.889 1.00 0.00 H new ATOM 0 HG21 VAL A 49 7.006 5.246 -4.322 1.00 0.00 H new ATOM 0 HG22 VAL A 49 7.739 6.844 -4.598 1.00 0.00 H new ATOM 0 HG23 VAL A 49 8.175 5.903 -3.152 1.00 0.00 H new ATOM 435 N LYS A 50 4.707 9.410 -1.750 1.00 0.00 N ATOM 436 CA LYS A 50 3.706 10.484 -1.829 1.00 0.00 C ATOM 437 C LYS A 50 4.282 11.855 -1.457 1.00 0.00 C ATOM 438 O LYS A 50 4.016 12.836 -2.146 1.00 0.00 O ATOM 439 CB LYS A 50 2.531 10.076 -0.934 1.00 0.00 C ATOM 440 CG LYS A 50 1.313 10.992 -1.095 1.00 0.00 C ATOM 441 CD LYS A 50 0.160 10.402 -0.280 1.00 0.00 C ATOM 442 CE LYS A 50 -1.093 11.279 -0.398 1.00 0.00 C ATOM 443 NZ LYS A 50 -2.232 10.718 0.378 1.00 0.00 N ATOM 0 H LYS A 50 4.526 8.750 -0.994 1.00 0.00 H new ATOM 0 HA LYS A 50 3.367 10.604 -2.858 1.00 0.00 H new ATOM 0 HB2 LYS A 50 2.242 9.051 -1.167 1.00 0.00 H new ATOM 0 HB3 LYS A 50 2.853 10.087 0.107 1.00 0.00 H new ATOM 0 HG2 LYS A 50 1.546 11.999 -0.749 1.00 0.00 H new ATOM 0 HG3 LYS A 50 1.034 11.072 -2.146 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -0.061 9.394 -0.631 1.00 0.00 H new ATOM 0 HD3 LYS A 50 0.454 10.318 0.766 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -0.869 12.284 -0.040 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.376 11.370 -1.447 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -3.061 11.337 0.275 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -2.462 9.769 0.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.970 10.655 1.383 1.00 0.00 H new ATOM 457 N GLU A 51 5.126 11.918 -0.428 1.00 0.00 N ATOM 458 CA GLU A 51 5.820 13.147 -0.020 1.00 0.00 C ATOM 459 C GLU A 51 6.830 13.604 -1.083 1.00 0.00 C ATOM 460 O GLU A 51 6.875 14.789 -1.411 1.00 0.00 O ATOM 461 CB GLU A 51 6.523 12.938 1.329 1.00 0.00 C ATOM 462 CG GLU A 51 5.535 12.810 2.496 1.00 0.00 C ATOM 463 CD GLU A 51 6.258 12.535 3.830 1.00 0.00 C ATOM 464 OE1 GLU A 51 7.075 11.583 3.904 1.00 0.00 O ATOM 465 OE2 GLU A 51 5.992 13.264 4.817 1.00 0.00 O ATOM 0 H GLU A 51 5.352 11.111 0.154 1.00 0.00 H new ATOM 0 HA GLU A 51 5.072 13.932 0.086 1.00 0.00 H new ATOM 0 HB2 GLU A 51 7.138 12.040 1.279 1.00 0.00 H new ATOM 0 HB3 GLU A 51 7.196 13.775 1.517 1.00 0.00 H new ATOM 0 HG2 GLU A 51 4.952 13.727 2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 51 4.832 12.003 2.290 1.00 0.00 H new ATOM 472 N VAL A 52 7.579 12.673 -1.693 1.00 0.00 N ATOM 473 CA VAL A 52 8.442 12.982 -2.849 1.00 0.00 C ATOM 474 C VAL A 52 7.613 13.495 -4.024 1.00 0.00 C ATOM 475 O VAL A 52 7.932 14.539 -4.577 1.00 0.00 O ATOM 476 CB VAL A 52 9.321 11.777 -3.249 1.00 0.00 C ATOM 477 CG1 VAL A 52 10.030 11.965 -4.598 1.00 0.00 C ATOM 478 CG2 VAL A 52 10.407 11.561 -2.190 1.00 0.00 C ATOM 0 H VAL A 52 7.606 11.695 -1.405 1.00 0.00 H new ATOM 0 HA VAL A 52 9.123 13.779 -2.550 1.00 0.00 H new ATOM 0 HB VAL A 52 8.647 10.924 -3.329 1.00 0.00 H new ATOM 0 HG11 VAL A 52 10.631 11.083 -4.819 1.00 0.00 H new ATOM 0 HG12 VAL A 52 9.287 12.104 -5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 52 10.676 12.841 -4.550 1.00 0.00 H new ATOM 0 HG21 VAL A 52 11.027 10.710 -2.473 1.00 0.00 H new ATOM 0 HG22 VAL A 52 11.028 12.454 -2.118 1.00 0.00 H new ATOM 0 HG23 VAL A 52 9.940 11.365 -1.225 1.00 0.00 H new ATOM 488 N MET A 53 6.526 12.817 -4.388 1.00 0.00 N ATOM 489 CA MET A 53 5.670 13.123 -5.524 1.00 0.00 C ATOM 490 C MET A 53 4.948 14.465 -5.413 1.00 0.00 C ATOM 491 O MET A 53 4.860 15.184 -6.406 1.00 0.00 O ATOM 492 CB MET A 53 4.718 11.939 -5.584 1.00 0.00 C ATOM 493 CG MET A 53 3.483 12.115 -6.452 1.00 0.00 C ATOM 494 SD MET A 53 2.516 10.610 -6.802 1.00 0.00 S ATOM 495 CE MET A 53 3.620 9.302 -6.193 1.00 0.00 C ATOM 0 H MET A 53 6.206 11.999 -3.870 1.00 0.00 H new ATOM 0 HA MET A 53 6.245 13.248 -6.441 1.00 0.00 H new ATOM 0 HB2 MET A 53 5.271 11.073 -5.947 1.00 0.00 H new ATOM 0 HB3 MET A 53 4.394 11.708 -4.569 1.00 0.00 H new ATOM 0 HG2 MET A 53 2.826 12.838 -5.969 1.00 0.00 H new ATOM 0 HG3 MET A 53 3.793 12.551 -7.402 1.00 0.00 H new ATOM 0 HE1 MET A 53 3.167 8.328 -6.378 1.00 0.00 H new ATOM 0 HE2 MET A 53 4.576 9.362 -6.712 1.00 0.00 H new ATOM 0 HE3 MET A 53 3.780 9.430 -5.122 1.00 0.00 H new ATOM 505 N HIS A 54 4.497 14.834 -4.213 1.00 0.00 N ATOM 506 CA HIS A 54 3.959 16.171 -3.930 1.00 0.00 C ATOM 507 C HIS A 54 4.942 17.279 -4.351 1.00 0.00 C ATOM 508 O HIS A 54 4.578 18.173 -5.120 1.00 0.00 O ATOM 509 CB HIS A 54 3.613 16.265 -2.437 1.00 0.00 C ATOM 510 CG HIS A 54 3.131 17.633 -2.021 1.00 0.00 C ATOM 511 ND1 HIS A 54 1.883 18.186 -2.326 1.00 0.00 N ATOM 512 CD2 HIS A 54 3.858 18.544 -1.312 1.00 0.00 C ATOM 513 CE1 HIS A 54 1.888 19.420 -1.789 1.00 0.00 C ATOM 514 NE2 HIS A 54 3.061 19.660 -1.175 1.00 0.00 N ATOM 0 H HIS A 54 4.494 14.213 -3.404 1.00 0.00 H new ATOM 0 HA HIS A 54 3.054 16.322 -4.518 1.00 0.00 H new ATOM 0 HB2 HIS A 54 2.844 15.529 -2.202 1.00 0.00 H new ATOM 0 HB3 HIS A 54 4.493 16.004 -1.850 1.00 0.00 H new ATOM 0 HD2 HIS A 54 4.861 18.416 -0.933 1.00 0.00 H new ATOM 0 HE1 HIS A 54 1.066 20.119 -1.843 1.00 0.00 H new ATOM 0 HE2 HIS A 54 3.317 20.521 -0.691 1.00 0.00 H new ATOM 522 N TYR A 55 6.203 17.194 -3.910 1.00 0.00 N ATOM 523 CA TYR A 55 7.257 18.141 -4.289 1.00 0.00 C ATOM 524 C TYR A 55 7.788 17.962 -5.723 1.00 0.00 C ATOM 525 O TYR A 55 8.127 18.951 -6.368 1.00 0.00 O ATOM 526 CB TYR A 55 8.375 18.107 -3.239 1.00 0.00 C ATOM 527 CG TYR A 55 7.931 18.553 -1.854 1.00 0.00 C ATOM 528 CD1 TYR A 55 7.358 19.830 -1.669 1.00 0.00 C ATOM 529 CD2 TYR A 55 8.089 17.696 -0.748 1.00 0.00 C ATOM 530 CE1 TYR A 55 6.946 20.245 -0.387 1.00 0.00 C ATOM 531 CE2 TYR A 55 7.679 18.106 0.535 1.00 0.00 C ATOM 532 CZ TYR A 55 7.107 19.383 0.721 1.00 0.00 C ATOM 533 OH TYR A 55 6.716 19.774 1.966 1.00 0.00 O ATOM 0 H TYR A 55 6.522 16.461 -3.276 1.00 0.00 H new ATOM 0 HA TYR A 55 6.807 19.134 -4.303 1.00 0.00 H new ATOM 0 HB2 TYR A 55 8.769 17.093 -3.175 1.00 0.00 H new ATOM 0 HB3 TYR A 55 9.193 18.747 -3.572 1.00 0.00 H new ATOM 0 HD1 TYR A 55 7.235 20.492 -2.514 1.00 0.00 H new ATOM 0 HD2 TYR A 55 8.527 16.718 -0.885 1.00 0.00 H new ATOM 0 HE1 TYR A 55 6.507 21.222 -0.251 1.00 0.00 H new ATOM 0 HE2 TYR A 55 7.802 17.442 1.378 1.00 0.00 H new ATOM 0 HH TYR A 55 6.900 19.056 2.607 1.00 0.00 H new ATOM 543 N LEU A 56 7.829 16.741 -6.266 1.00 0.00 N ATOM 544 CA LEU A 56 8.296 16.472 -7.635 1.00 0.00 C ATOM 545 C LEU A 56 7.308 16.956 -8.698 1.00 0.00 C ATOM 546 O LEU A 56 7.747 17.549 -9.677 1.00 0.00 O ATOM 547 CB LEU A 56 8.649 14.980 -7.815 1.00 0.00 C ATOM 548 CG LEU A 56 10.147 14.645 -7.655 1.00 0.00 C ATOM 549 CD1 LEU A 56 10.938 15.055 -8.899 1.00 0.00 C ATOM 550 CD2 LEU A 56 10.819 15.288 -6.442 1.00 0.00 C ATOM 0 H LEU A 56 7.537 15.902 -5.765 1.00 0.00 H new ATOM 0 HA LEU A 56 9.207 17.052 -7.783 1.00 0.00 H new ATOM 0 HB2 LEU A 56 8.081 14.397 -7.090 1.00 0.00 H new ATOM 0 HB3 LEU A 56 8.324 14.661 -8.805 1.00 0.00 H new ATOM 0 HG LEU A 56 10.164 13.565 -7.508 1.00 0.00 H new ATOM 0 HD11 LEU A 56 11.990 14.808 -8.759 1.00 0.00 H new ATOM 0 HD12 LEU A 56 10.552 14.521 -9.768 1.00 0.00 H new ATOM 0 HD13 LEU A 56 10.836 16.129 -9.058 1.00 0.00 H new ATOM 0 HD21 LEU A 56 11.869 14.997 -6.411 1.00 0.00 H new ATOM 0 HD22 LEU A 56 10.745 16.373 -6.518 1.00 0.00 H new ATOM 0 HD23 LEU A 56 10.323 14.953 -5.531 1.00 0.00 H new ATOM 562 N GLY A 57 5.998 16.805 -8.491 1.00 0.00 N ATOM 563 CA GLY A 57 4.981 17.395 -9.369 1.00 0.00 C ATOM 564 C GLY A 57 5.087 18.927 -9.413 1.00 0.00 C ATOM 565 O GLY A 57 5.060 19.522 -10.488 1.00 0.00 O ATOM 0 H GLY A 57 5.611 16.272 -7.712 1.00 0.00 H new ATOM 0 HA2 GLY A 57 5.093 16.994 -10.376 1.00 0.00 H new ATOM 0 HA3 GLY A 57 3.989 17.109 -9.020 1.00 0.00 H new ATOM 569 N GLN A 58 5.330 19.556 -8.257 1.00 0.00 N ATOM 570 CA GLN A 58 5.660 20.983 -8.114 1.00 0.00 C ATOM 571 C GLN A 58 6.954 21.354 -8.871 1.00 0.00 C ATOM 572 O GLN A 58 6.950 22.269 -9.697 1.00 0.00 O ATOM 573 CB GLN A 58 5.691 21.306 -6.601 1.00 0.00 C ATOM 574 CG GLN A 58 6.650 22.407 -6.120 1.00 0.00 C ATOM 575 CD GLN A 58 6.368 23.816 -6.634 1.00 0.00 C ATOM 576 OE1 GLN A 58 5.354 24.119 -7.250 1.00 0.00 O ATOM 577 NE2 GLN A 58 7.275 24.734 -6.376 1.00 0.00 N ATOM 0 H GLN A 58 5.302 19.069 -7.361 1.00 0.00 H new ATOM 0 HA GLN A 58 4.900 21.608 -8.583 1.00 0.00 H new ATOM 0 HB2 GLN A 58 4.682 21.586 -6.298 1.00 0.00 H new ATOM 0 HB3 GLN A 58 5.941 20.389 -6.068 1.00 0.00 H new ATOM 0 HG2 GLN A 58 6.628 22.429 -5.030 1.00 0.00 H new ATOM 0 HG3 GLN A 58 7.663 22.131 -6.413 1.00 0.00 H new ATOM 0 HE21 GLN A 58 8.121 24.485 -5.863 1.00 0.00 H new ATOM 0 HE22 GLN A 58 7.132 25.694 -6.689 1.00 0.00 H new ATOM 586 N TYR A 59 8.054 20.624 -8.657 1.00 0.00 N ATOM 587 CA TYR A 59 9.330 20.886 -9.325 1.00 0.00 C ATOM 588 C TYR A 59 9.165 20.795 -10.848 1.00 0.00 C ATOM 589 O TYR A 59 9.490 21.731 -11.570 1.00 0.00 O ATOM 590 CB TYR A 59 10.369 19.874 -8.822 1.00 0.00 C ATOM 591 CG TYR A 59 11.682 19.870 -9.578 1.00 0.00 C ATOM 592 CD1 TYR A 59 12.726 20.737 -9.209 1.00 0.00 C ATOM 593 CD2 TYR A 59 11.858 18.972 -10.645 1.00 0.00 C ATOM 594 CE1 TYR A 59 13.954 20.684 -9.900 1.00 0.00 C ATOM 595 CE2 TYR A 59 13.071 18.926 -11.353 1.00 0.00 C ATOM 596 CZ TYR A 59 14.137 19.771 -10.965 1.00 0.00 C ATOM 597 OH TYR A 59 15.346 19.715 -11.585 1.00 0.00 O ATOM 0 H TYR A 59 8.083 19.833 -8.014 1.00 0.00 H new ATOM 0 HA TYR A 59 9.670 21.895 -9.091 1.00 0.00 H new ATOM 0 HB2 TYR A 59 10.573 20.079 -7.771 1.00 0.00 H new ATOM 0 HB3 TYR A 59 9.935 18.875 -8.874 1.00 0.00 H new ATOM 0 HD1 TYR A 59 12.588 21.440 -8.401 1.00 0.00 H new ATOM 0 HD2 TYR A 59 11.052 18.310 -10.924 1.00 0.00 H new ATOM 0 HE1 TYR A 59 14.760 21.344 -9.615 1.00 0.00 H new ATOM 0 HE2 TYR A 59 13.189 18.250 -12.187 1.00 0.00 H new ATOM 0 HH TYR A 59 15.361 18.956 -12.205 1.00 0.00 H new ATOM 607 N ILE A 60 8.558 19.710 -11.332 1.00 0.00 N ATOM 608 CA ILE A 60 8.299 19.457 -12.754 1.00 0.00 C ATOM 609 C ILE A 60 7.366 20.523 -13.352 1.00 0.00 C ATOM 610 O ILE A 60 7.609 20.959 -14.474 1.00 0.00 O ATOM 611 CB ILE A 60 7.791 18.001 -12.907 1.00 0.00 C ATOM 612 CG1 ILE A 60 8.978 17.029 -12.671 1.00 0.00 C ATOM 613 CG2 ILE A 60 7.106 17.760 -14.262 1.00 0.00 C ATOM 614 CD1 ILE A 60 8.623 15.537 -12.718 1.00 0.00 C ATOM 0 H ILE A 60 8.222 18.959 -10.729 1.00 0.00 H new ATOM 0 HA ILE A 60 9.216 19.546 -13.336 1.00 0.00 H new ATOM 0 HB ILE A 60 7.022 17.815 -12.157 1.00 0.00 H new ATOM 0 HG12 ILE A 60 9.743 17.227 -13.421 1.00 0.00 H new ATOM 0 HG13 ILE A 60 9.420 17.250 -11.699 1.00 0.00 H new ATOM 0 HG21 ILE A 60 6.768 16.725 -14.320 1.00 0.00 H new ATOM 0 HG22 ILE A 60 6.250 18.427 -14.361 1.00 0.00 H new ATOM 0 HG23 ILE A 60 7.814 17.956 -15.067 1.00 0.00 H new ATOM 0 HD11 ILE A 60 9.520 14.944 -12.542 1.00 0.00 H new ATOM 0 HD12 ILE A 60 7.884 15.314 -11.949 1.00 0.00 H new ATOM 0 HD13 ILE A 60 8.213 15.291 -13.697 1.00 0.00 H new ATOM 626 N MET A 61 6.373 21.021 -12.611 1.00 0.00 N ATOM 627 CA MET A 61 5.522 22.149 -13.024 1.00 0.00 C ATOM 628 C MET A 61 6.318 23.460 -13.163 1.00 0.00 C ATOM 629 O MET A 61 6.096 24.206 -14.115 1.00 0.00 O ATOM 630 CB MET A 61 4.364 22.284 -12.017 1.00 0.00 C ATOM 631 CG MET A 61 3.374 23.436 -12.241 1.00 0.00 C ATOM 632 SD MET A 61 2.153 23.208 -13.566 1.00 0.00 S ATOM 633 CE MET A 61 3.046 23.907 -14.977 1.00 0.00 C ATOM 0 H MET A 61 6.131 20.649 -11.693 1.00 0.00 H new ATOM 0 HA MET A 61 5.119 21.946 -14.016 1.00 0.00 H new ATOM 0 HB2 MET A 61 3.802 21.350 -12.020 1.00 0.00 H new ATOM 0 HB3 MET A 61 4.793 22.395 -11.021 1.00 0.00 H new ATOM 0 HG2 MET A 61 2.837 23.611 -11.309 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.945 24.340 -12.455 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.332 24.234 -15.733 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.640 24.759 -14.646 1.00 0.00 H new ATOM 0 HE3 MET A 61 3.704 23.149 -15.403 1.00 0.00 H new ATOM 643 N VAL A 62 7.265 23.746 -12.261 1.00 0.00 N ATOM 644 CA VAL A 62 8.083 24.980 -12.273 1.00 0.00 C ATOM 645 C VAL A 62 9.216 24.935 -13.299 1.00 0.00 C ATOM 646 O VAL A 62 9.561 25.954 -13.900 1.00 0.00 O ATOM 647 CB VAL A 62 8.611 25.283 -10.866 1.00 0.00 C ATOM 648 CG1 VAL A 62 9.538 26.500 -10.784 1.00 0.00 C ATOM 649 CG2 VAL A 62 7.441 25.560 -9.925 1.00 0.00 C ATOM 0 H VAL A 62 7.493 23.121 -11.488 1.00 0.00 H new ATOM 0 HA VAL A 62 7.430 25.795 -12.585 1.00 0.00 H new ATOM 0 HB VAL A 62 9.185 24.400 -10.585 1.00 0.00 H new ATOM 0 HG11 VAL A 62 9.864 26.640 -9.753 1.00 0.00 H new ATOM 0 HG12 VAL A 62 10.408 26.338 -11.421 1.00 0.00 H new ATOM 0 HG13 VAL A 62 9.003 27.388 -11.120 1.00 0.00 H new ATOM 0 HG21 VAL A 62 7.821 25.775 -8.926 1.00 0.00 H new ATOM 0 HG22 VAL A 62 6.875 26.417 -10.290 1.00 0.00 H new ATOM 0 HG23 VAL A 62 6.791 24.686 -9.886 1.00 0.00 H new ATOM 659 N LYS A 63 9.781 23.743 -13.510 1.00 0.00 N ATOM 660 CA LYS A 63 10.864 23.481 -14.480 1.00 0.00 C ATOM 661 C LYS A 63 10.343 23.116 -15.881 1.00 0.00 C ATOM 662 O LYS A 63 11.103 23.167 -16.848 1.00 0.00 O ATOM 663 CB LYS A 63 11.838 22.412 -13.927 1.00 0.00 C ATOM 664 CG LYS A 63 12.514 22.717 -12.571 1.00 0.00 C ATOM 665 CD LYS A 63 12.899 24.187 -12.359 1.00 0.00 C ATOM 666 CE LYS A 63 13.763 24.338 -11.098 1.00 0.00 C ATOM 667 NZ LYS A 63 14.214 25.745 -10.903 1.00 0.00 N ATOM 0 H LYS A 63 9.495 22.907 -13.001 1.00 0.00 H new ATOM 0 HA LYS A 63 11.414 24.413 -14.608 1.00 0.00 H new ATOM 0 HB2 LYS A 63 11.292 21.473 -13.831 1.00 0.00 H new ATOM 0 HB3 LYS A 63 12.621 22.251 -14.668 1.00 0.00 H new ATOM 0 HG2 LYS A 63 11.841 22.413 -11.769 1.00 0.00 H new ATOM 0 HG3 LYS A 63 13.412 22.105 -12.483 1.00 0.00 H new ATOM 0 HD2 LYS A 63 13.445 24.555 -13.228 1.00 0.00 H new ATOM 0 HD3 LYS A 63 11.999 24.795 -12.266 1.00 0.00 H new ATOM 0 HE2 LYS A 63 13.194 24.014 -10.226 1.00 0.00 H new ATOM 0 HE3 LYS A 63 14.632 23.684 -11.172 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 14.794 25.807 -10.042 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 14.778 26.046 -11.723 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 13.385 26.365 -10.807 1.00 0.00 H new ATOM 681 N GLN A 64 9.057 22.765 -15.984 1.00 0.00 N ATOM 682 CA GLN A 64 8.376 22.209 -17.159 1.00 0.00 C ATOM 683 C GLN A 64 9.146 21.026 -17.787 1.00 0.00 C ATOM 684 O GLN A 64 9.697 21.127 -18.887 1.00 0.00 O ATOM 685 CB GLN A 64 7.974 23.280 -18.194 1.00 0.00 C ATOM 686 CG GLN A 64 7.026 24.370 -17.666 1.00 0.00 C ATOM 687 CD GLN A 64 7.752 25.565 -17.048 1.00 0.00 C ATOM 688 OE1 GLN A 64 8.674 26.143 -17.612 1.00 0.00 O ATOM 689 NE2 GLN A 64 7.354 26.008 -15.878 1.00 0.00 N ATOM 0 H GLN A 64 8.420 22.869 -15.194 1.00 0.00 H new ATOM 0 HA GLN A 64 7.437 21.798 -16.789 1.00 0.00 H new ATOM 0 HB2 GLN A 64 8.879 23.758 -18.571 1.00 0.00 H new ATOM 0 HB3 GLN A 64 7.499 22.785 -19.041 1.00 0.00 H new ATOM 0 HG2 GLN A 64 6.397 24.721 -18.485 1.00 0.00 H new ATOM 0 HG3 GLN A 64 6.363 23.933 -16.920 1.00 0.00 H new ATOM 0 HE21 GLN A 64 6.589 25.543 -15.390 1.00 0.00 H new ATOM 0 HE22 GLN A 64 7.810 26.817 -15.457 1.00 0.00 H new ATOM 698 N LEU A 65 9.194 19.890 -17.075 1.00 0.00 N ATOM 699 CA LEU A 65 9.947 18.689 -17.483 1.00 0.00 C ATOM 700 C LEU A 65 9.101 17.711 -18.326 1.00 0.00 C ATOM 701 O LEU A 65 9.578 16.669 -18.775 1.00 0.00 O ATOM 702 CB LEU A 65 10.577 18.050 -16.234 1.00 0.00 C ATOM 703 CG LEU A 65 11.906 17.317 -16.498 1.00 0.00 C ATOM 704 CD1 LEU A 65 13.007 18.233 -17.043 1.00 0.00 C ATOM 705 CD2 LEU A 65 12.402 16.774 -15.164 1.00 0.00 C ATOM 0 H LEU A 65 8.705 19.776 -16.187 1.00 0.00 H new ATOM 0 HA LEU A 65 10.753 18.981 -18.157 1.00 0.00 H new ATOM 0 HB2 LEU A 65 10.746 18.827 -15.489 1.00 0.00 H new ATOM 0 HB3 LEU A 65 9.866 17.345 -15.803 1.00 0.00 H new ATOM 0 HG LEU A 65 11.711 16.545 -17.242 1.00 0.00 H new ATOM 0 HD11 LEU A 65 13.915 17.653 -17.206 1.00 0.00 H new ATOM 0 HD12 LEU A 65 12.682 18.671 -17.986 1.00 0.00 H new ATOM 0 HD13 LEU A 65 13.208 19.027 -16.324 1.00 0.00 H new ATOM 0 HD21 LEU A 65 13.344 16.247 -15.313 1.00 0.00 H new ATOM 0 HD22 LEU A 65 12.554 17.600 -14.469 1.00 0.00 H new ATOM 0 HD23 LEU A 65 11.663 16.086 -14.754 1.00 0.00 H new ATOM 717 N TYR A 66 7.832 18.063 -18.536 1.00 0.00 N ATOM 718 CA TYR A 66 6.858 17.368 -19.369 1.00 0.00 C ATOM 719 C TYR A 66 6.676 18.077 -20.719 1.00 0.00 C ATOM 720 O TYR A 66 6.955 19.274 -20.843 1.00 0.00 O ATOM 721 CB TYR A 66 5.523 17.268 -18.607 1.00 0.00 C ATOM 722 CG TYR A 66 4.876 18.623 -18.358 1.00 0.00 C ATOM 723 CD1 TYR A 66 5.255 19.401 -17.246 1.00 0.00 C ATOM 724 CD2 TYR A 66 3.959 19.145 -19.291 1.00 0.00 C ATOM 725 CE1 TYR A 66 4.752 20.706 -17.088 1.00 0.00 C ATOM 726 CE2 TYR A 66 3.448 20.447 -19.135 1.00 0.00 C ATOM 727 CZ TYR A 66 3.856 21.238 -18.039 1.00 0.00 C ATOM 728 OH TYR A 66 3.400 22.513 -17.902 1.00 0.00 O ATOM 0 H TYR A 66 7.435 18.895 -18.099 1.00 0.00 H new ATOM 0 HA TYR A 66 7.223 16.364 -19.584 1.00 0.00 H new ATOM 0 HB2 TYR A 66 4.834 16.641 -19.173 1.00 0.00 H new ATOM 0 HB3 TYR A 66 5.693 16.772 -17.651 1.00 0.00 H new ATOM 0 HD1 TYR A 66 5.934 18.994 -16.512 1.00 0.00 H new ATOM 0 HD2 TYR A 66 3.646 18.543 -20.131 1.00 0.00 H new ATOM 0 HE1 TYR A 66 5.052 21.301 -16.238 1.00 0.00 H new ATOM 0 HE2 TYR A 66 2.744 20.841 -19.853 1.00 0.00 H new ATOM 0 HH TYR A 66 2.792 22.724 -18.641 1.00 0.00 H new ATOM 738 N ASP A 67 6.179 17.358 -21.729 1.00 0.00 N ATOM 739 CA ASP A 67 5.747 17.986 -22.982 1.00 0.00 C ATOM 740 C ASP A 67 4.272 18.398 -22.854 1.00 0.00 C ATOM 741 O ASP A 67 3.435 17.562 -22.512 1.00 0.00 O ATOM 742 CB ASP A 67 5.977 17.051 -24.179 1.00 0.00 C ATOM 743 CG ASP A 67 5.779 17.771 -25.527 1.00 0.00 C ATOM 744 OD1 ASP A 67 4.760 18.481 -25.711 1.00 0.00 O ATOM 745 OD2 ASP A 67 6.646 17.639 -26.420 1.00 0.00 O ATOM 0 H ASP A 67 6.066 16.345 -21.705 1.00 0.00 H new ATOM 0 HA ASP A 67 6.345 18.878 -23.166 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.987 16.644 -24.131 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.290 16.207 -24.116 1.00 0.00 H new ATOM 750 N GLN A 68 3.922 19.658 -23.142 1.00 0.00 N ATOM 751 CA GLN A 68 2.533 20.135 -23.056 1.00 0.00 C ATOM 752 C GLN A 68 1.529 19.278 -23.850 1.00 0.00 C ATOM 753 O GLN A 68 0.383 19.125 -23.420 1.00 0.00 O ATOM 754 CB GLN A 68 2.437 21.613 -23.487 1.00 0.00 C ATOM 755 CG GLN A 68 2.678 21.922 -24.983 1.00 0.00 C ATOM 756 CD GLN A 68 4.141 22.237 -25.312 1.00 0.00 C ATOM 757 OE1 GLN A 68 4.574 23.381 -25.259 1.00 0.00 O ATOM 758 NE2 GLN A 68 4.975 21.274 -25.651 1.00 0.00 N ATOM 0 H GLN A 68 4.587 20.372 -23.439 1.00 0.00 H new ATOM 0 HA GLN A 68 2.250 20.040 -22.008 1.00 0.00 H new ATOM 0 HB2 GLN A 68 1.446 21.981 -23.220 1.00 0.00 H new ATOM 0 HB3 GLN A 68 3.158 22.185 -22.902 1.00 0.00 H new ATOM 0 HG2 GLN A 68 2.355 21.069 -25.579 1.00 0.00 H new ATOM 0 HG3 GLN A 68 2.057 22.769 -25.276 1.00 0.00 H new ATOM 0 HE21 GLN A 68 4.646 20.310 -25.705 1.00 0.00 H new ATOM 0 HE22 GLN A 68 5.949 21.493 -25.860 1.00 0.00 H new ATOM 767 N GLN A 69 1.958 18.708 -24.985 1.00 0.00 N ATOM 768 CA GLN A 69 1.106 17.985 -25.921 1.00 0.00 C ATOM 769 C GLN A 69 1.023 16.474 -25.599 1.00 0.00 C ATOM 770 O GLN A 69 0.134 15.771 -26.081 1.00 0.00 O ATOM 771 CB GLN A 69 1.590 18.308 -27.344 1.00 0.00 C ATOM 772 CG GLN A 69 2.632 17.335 -27.907 1.00 0.00 C ATOM 773 CD GLN A 69 3.507 17.991 -28.971 1.00 0.00 C ATOM 774 OE1 GLN A 69 3.192 18.018 -30.155 1.00 0.00 O ATOM 775 NE2 GLN A 69 4.628 18.560 -28.586 1.00 0.00 N ATOM 0 H GLN A 69 2.934 18.742 -25.279 1.00 0.00 H new ATOM 0 HA GLN A 69 0.072 18.316 -25.829 1.00 0.00 H new ATOM 0 HB2 GLN A 69 0.728 18.321 -28.011 1.00 0.00 H new ATOM 0 HB3 GLN A 69 2.012 19.313 -27.349 1.00 0.00 H new ATOM 0 HG2 GLN A 69 3.261 16.967 -27.096 1.00 0.00 H new ATOM 0 HG3 GLN A 69 2.126 16.470 -28.336 1.00 0.00 H new ATOM 0 HE21 GLN A 69 4.897 18.542 -27.602 1.00 0.00 H new ATOM 0 HE22 GLN A 69 5.228 19.019 -29.271 1.00 0.00 H new ATOM 784 N GLU A 70 1.959 15.987 -24.774 1.00 0.00 N ATOM 785 CA GLU A 70 2.155 14.597 -24.349 1.00 0.00 C ATOM 786 C GLU A 70 2.603 14.570 -22.876 1.00 0.00 C ATOM 787 O GLU A 70 3.714 14.156 -22.548 1.00 0.00 O ATOM 788 CB GLU A 70 3.168 13.885 -25.272 1.00 0.00 C ATOM 789 CG GLU A 70 2.599 13.591 -26.664 1.00 0.00 C ATOM 790 CD GLU A 70 3.430 12.513 -27.384 1.00 0.00 C ATOM 791 OE1 GLU A 70 3.158 11.304 -27.174 1.00 0.00 O ATOM 792 OE2 GLU A 70 4.348 12.861 -28.167 1.00 0.00 O ATOM 0 H GLU A 70 2.653 16.605 -24.354 1.00 0.00 H new ATOM 0 HA GLU A 70 1.213 14.054 -24.429 1.00 0.00 H new ATOM 0 HB2 GLU A 70 4.059 14.505 -25.372 1.00 0.00 H new ATOM 0 HB3 GLU A 70 3.481 12.950 -24.808 1.00 0.00 H new ATOM 0 HG2 GLU A 70 1.565 13.259 -26.575 1.00 0.00 H new ATOM 0 HG3 GLU A 70 2.590 14.505 -27.258 1.00 0.00 H new ATOM 799 N GLN A 71 1.732 15.021 -21.963 1.00 0.00 N ATOM 800 CA GLN A 71 2.010 15.060 -20.515 1.00 0.00 C ATOM 801 C GLN A 71 2.304 13.671 -19.920 1.00 0.00 C ATOM 802 O GLN A 71 2.993 13.560 -18.904 1.00 0.00 O ATOM 803 CB GLN A 71 0.825 15.730 -19.804 1.00 0.00 C ATOM 804 CG GLN A 71 0.887 17.249 -20.010 1.00 0.00 C ATOM 805 CD GLN A 71 -0.450 17.955 -19.795 1.00 0.00 C ATOM 806 OE1 GLN A 71 -1.086 17.854 -18.753 1.00 0.00 O ATOM 807 NE2 GLN A 71 -0.928 18.705 -20.770 1.00 0.00 N ATOM 0 H GLN A 71 0.806 15.373 -22.207 1.00 0.00 H new ATOM 0 HA GLN A 71 2.918 15.642 -20.359 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -0.114 15.339 -20.195 1.00 0.00 H new ATOM 0 HB3 GLN A 71 0.849 15.497 -18.739 1.00 0.00 H new ATOM 0 HG2 GLN A 71 1.624 17.669 -19.325 1.00 0.00 H new ATOM 0 HG3 GLN A 71 1.238 17.455 -21.021 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -0.409 18.798 -21.643 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -1.816 19.192 -20.650 1.00 0.00 H new ATOM 816 N HIS A 72 1.852 12.609 -20.599 1.00 0.00 N ATOM 817 CA HIS A 72 2.207 11.214 -20.324 1.00 0.00 C ATOM 818 C HIS A 72 3.688 10.878 -20.579 1.00 0.00 C ATOM 819 O HIS A 72 4.095 9.773 -20.238 1.00 0.00 O ATOM 820 CB HIS A 72 1.279 10.292 -21.137 1.00 0.00 C ATOM 821 CG HIS A 72 1.222 10.589 -22.620 1.00 0.00 C ATOM 822 ND1 HIS A 72 0.110 11.109 -23.292 1.00 0.00 N ATOM 823 CD2 HIS A 72 2.231 10.409 -23.522 1.00 0.00 C ATOM 824 CE1 HIS A 72 0.468 11.206 -24.584 1.00 0.00 C ATOM 825 NE2 HIS A 72 1.735 10.793 -24.749 1.00 0.00 N ATOM 0 H HIS A 72 1.206 12.703 -21.383 1.00 0.00 H new ATOM 0 HA HIS A 72 2.065 11.050 -19.256 1.00 0.00 H new ATOM 0 HB2 HIS A 72 1.605 9.261 -21.000 1.00 0.00 H new ATOM 0 HB3 HIS A 72 0.271 10.364 -20.728 1.00 0.00 H new ATOM 0 HD2 HIS A 72 3.224 10.038 -23.314 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -0.172 11.565 -25.376 1.00 0.00 H new ATOM 0 HE2 HIS A 72 2.244 10.768 -25.633 1.00 0.00 H new ATOM 833 N MET A 73 4.491 11.790 -21.137 1.00 0.00 N ATOM 834 CA MET A 73 5.942 11.689 -21.353 1.00 0.00 C ATOM 835 C MET A 73 6.681 12.783 -20.556 1.00 0.00 C ATOM 836 O MET A 73 6.325 13.965 -20.602 1.00 0.00 O ATOM 837 CB MET A 73 6.232 11.722 -22.872 1.00 0.00 C ATOM 838 CG MET A 73 7.567 12.335 -23.331 1.00 0.00 C ATOM 839 SD MET A 73 9.125 11.629 -22.717 1.00 0.00 S ATOM 840 CE MET A 73 9.095 9.956 -23.410 1.00 0.00 C ATOM 0 H MET A 73 4.121 12.679 -21.473 1.00 0.00 H new ATOM 0 HA MET A 73 6.322 10.740 -20.975 1.00 0.00 H new ATOM 0 HB2 MET A 73 6.187 10.699 -23.245 1.00 0.00 H new ATOM 0 HB3 MET A 73 5.426 12.273 -23.356 1.00 0.00 H new ATOM 0 HG2 MET A 73 7.592 12.288 -24.420 1.00 0.00 H new ATOM 0 HG3 MET A 73 7.555 13.390 -23.057 1.00 0.00 H new ATOM 0 HE1 MET A 73 9.995 9.420 -23.107 1.00 0.00 H new ATOM 0 HE2 MET A 73 8.216 9.426 -23.043 1.00 0.00 H new ATOM 0 HE3 MET A 73 9.056 10.013 -24.498 1.00 0.00 H new ATOM 850 N VAL A 74 7.732 12.382 -19.836 1.00 0.00 N ATOM 851 CA VAL A 74 8.645 13.253 -19.078 1.00 0.00 C ATOM 852 C VAL A 74 10.034 13.153 -19.705 1.00 0.00 C ATOM 853 O VAL A 74 10.586 12.058 -19.806 1.00 0.00 O ATOM 854 CB VAL A 74 8.716 12.867 -17.585 1.00 0.00 C ATOM 855 CG1 VAL A 74 9.432 13.949 -16.766 1.00 0.00 C ATOM 856 CG2 VAL A 74 7.327 12.662 -16.972 1.00 0.00 C ATOM 0 H VAL A 74 7.984 11.397 -19.760 1.00 0.00 H new ATOM 0 HA VAL A 74 8.268 14.274 -19.125 1.00 0.00 H new ATOM 0 HB VAL A 74 9.271 11.929 -17.547 1.00 0.00 H new ATOM 0 HG11 VAL A 74 9.467 13.649 -15.719 1.00 0.00 H new ATOM 0 HG12 VAL A 74 10.448 14.077 -17.141 1.00 0.00 H new ATOM 0 HG13 VAL A 74 8.891 14.891 -16.856 1.00 0.00 H new ATOM 0 HG21 VAL A 74 7.429 12.392 -15.921 1.00 0.00 H new ATOM 0 HG22 VAL A 74 6.753 13.585 -17.055 1.00 0.00 H new ATOM 0 HG23 VAL A 74 6.809 11.863 -17.503 1.00 0.00 H new ATOM 866 N TYR A 75 10.604 14.285 -20.120 1.00 0.00 N ATOM 867 CA TYR A 75 11.910 14.356 -20.777 1.00 0.00 C ATOM 868 C TYR A 75 12.936 14.992 -19.832 1.00 0.00 C ATOM 869 O TYR A 75 12.945 16.208 -19.635 1.00 0.00 O ATOM 870 CB TYR A 75 11.777 15.115 -22.105 1.00 0.00 C ATOM 871 CG TYR A 75 13.083 15.216 -22.872 1.00 0.00 C ATOM 872 CD1 TYR A 75 13.497 14.154 -23.699 1.00 0.00 C ATOM 873 CD2 TYR A 75 13.897 16.359 -22.739 1.00 0.00 C ATOM 874 CE1 TYR A 75 14.723 14.229 -24.390 1.00 0.00 C ATOM 875 CE2 TYR A 75 15.124 16.438 -23.425 1.00 0.00 C ATOM 876 CZ TYR A 75 15.542 15.373 -24.253 1.00 0.00 C ATOM 877 OH TYR A 75 16.733 15.458 -24.909 1.00 0.00 O ATOM 0 H TYR A 75 10.162 15.197 -20.006 1.00 0.00 H new ATOM 0 HA TYR A 75 12.270 13.354 -21.010 1.00 0.00 H new ATOM 0 HB2 TYR A 75 11.035 14.616 -22.728 1.00 0.00 H new ATOM 0 HB3 TYR A 75 11.402 16.119 -21.906 1.00 0.00 H new ATOM 0 HD1 TYR A 75 12.873 13.279 -23.804 1.00 0.00 H new ATOM 0 HD2 TYR A 75 13.579 17.176 -22.109 1.00 0.00 H new ATOM 0 HE1 TYR A 75 15.037 13.413 -25.024 1.00 0.00 H new ATOM 0 HE2 TYR A 75 15.746 17.314 -23.318 1.00 0.00 H new ATOM 0 HH TYR A 75 17.162 16.314 -24.699 1.00 0.00 H new ATOM 887 N CYS A 76 13.806 14.167 -19.241 1.00 0.00 N ATOM 888 CA CYS A 76 14.778 14.609 -18.232 1.00 0.00 C ATOM 889 C CYS A 76 16.175 14.926 -18.808 1.00 0.00 C ATOM 890 O CYS A 76 17.143 15.011 -18.050 1.00 0.00 O ATOM 891 CB CYS A 76 14.839 13.599 -17.079 1.00 0.00 C ATOM 892 SG CYS A 76 13.235 13.465 -16.238 1.00 0.00 S ATOM 0 H CYS A 76 13.857 13.170 -19.449 1.00 0.00 H new ATOM 0 HA CYS A 76 14.420 15.562 -17.842 1.00 0.00 H new ATOM 0 HB2 CYS A 76 15.134 12.622 -17.463 1.00 0.00 H new ATOM 0 HB3 CYS A 76 15.603 13.905 -16.364 1.00 0.00 H new ATOM 0 HG CYS A 76 12.702 12.309 -16.501 1.00 0.00 H new ATOM 898 N GLY A 77 16.308 15.079 -20.131 1.00 0.00 N ATOM 899 CA GLY A 77 17.582 15.390 -20.789 1.00 0.00 C ATOM 900 C GLY A 77 18.193 16.701 -20.274 1.00 0.00 C ATOM 901 O GLY A 77 17.581 17.766 -20.383 1.00 0.00 O ATOM 0 H GLY A 77 15.527 14.989 -20.781 1.00 0.00 H new ATOM 0 HA2 GLY A 77 18.284 14.573 -20.623 1.00 0.00 H new ATOM 0 HA3 GLY A 77 17.426 15.462 -21.865 1.00 0.00 H new ATOM 905 N GLY A 78 19.392 16.614 -19.687 1.00 0.00 N ATOM 906 CA GLY A 78 20.091 17.740 -19.051 1.00 0.00 C ATOM 907 C GLY A 78 19.569 18.144 -17.658 1.00 0.00 C ATOM 908 O GLY A 78 20.031 19.149 -17.112 1.00 0.00 O ATOM 0 H GLY A 78 19.916 15.740 -19.639 1.00 0.00 H new ATOM 0 HA2 GLY A 78 21.148 17.487 -18.964 1.00 0.00 H new ATOM 0 HA3 GLY A 78 20.024 18.606 -19.710 1.00 0.00 H new ATOM 912 N ASP A 79 18.620 17.400 -17.075 1.00 0.00 N ATOM 913 CA ASP A 79 18.125 17.614 -15.705 1.00 0.00 C ATOM 914 C ASP A 79 18.868 16.745 -14.682 1.00 0.00 C ATOM 915 O ASP A 79 19.388 15.684 -15.031 1.00 0.00 O ATOM 916 CB ASP A 79 16.617 17.340 -15.618 1.00 0.00 C ATOM 917 CG ASP A 79 15.964 18.273 -14.587 1.00 0.00 C ATOM 918 OD1 ASP A 79 15.671 19.441 -14.932 1.00 0.00 O ATOM 919 OD2 ASP A 79 15.806 17.855 -13.418 1.00 0.00 O ATOM 0 H ASP A 79 18.166 16.619 -17.548 1.00 0.00 H new ATOM 0 HA ASP A 79 18.315 18.659 -15.462 1.00 0.00 H new ATOM 0 HB2 ASP A 79 16.157 17.488 -16.595 1.00 0.00 H new ATOM 0 HB3 ASP A 79 16.445 16.301 -15.338 1.00 0.00 H new ATOM 924 N LEU A 80 18.840 17.137 -13.401 1.00 0.00 N ATOM 925 CA LEU A 80 19.454 16.401 -12.283 1.00 0.00 C ATOM 926 C LEU A 80 19.091 14.904 -12.267 1.00 0.00 C ATOM 927 O LEU A 80 19.949 14.069 -11.967 1.00 0.00 O ATOM 928 CB LEU A 80 19.025 17.067 -10.960 1.00 0.00 C ATOM 929 CG LEU A 80 19.703 18.417 -10.654 1.00 0.00 C ATOM 930 CD1 LEU A 80 19.095 19.027 -9.390 1.00 0.00 C ATOM 931 CD2 LEU A 80 21.211 18.277 -10.423 1.00 0.00 C ATOM 0 H LEU A 80 18.378 17.997 -13.104 1.00 0.00 H new ATOM 0 HA LEU A 80 20.536 16.448 -12.410 1.00 0.00 H new ATOM 0 HB2 LEU A 80 17.946 17.217 -10.981 1.00 0.00 H new ATOM 0 HB3 LEU A 80 19.235 16.379 -10.141 1.00 0.00 H new ATOM 0 HG LEU A 80 19.539 19.052 -11.524 1.00 0.00 H new ATOM 0 HD11 LEU A 80 19.578 19.981 -9.178 1.00 0.00 H new ATOM 0 HD12 LEU A 80 18.027 19.186 -9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 80 19.246 18.349 -8.550 1.00 0.00 H new ATOM 0 HD21 LEU A 80 21.639 19.257 -10.212 1.00 0.00 H new ATOM 0 HD22 LEU A 80 21.389 17.613 -9.577 1.00 0.00 H new ATOM 0 HD23 LEU A 80 21.679 17.862 -11.316 1.00 0.00 H new ATOM 943 N LEU A 81 17.858 14.558 -12.665 1.00 0.00 N ATOM 944 CA LEU A 81 17.408 13.164 -12.802 1.00 0.00 C ATOM 945 C LEU A 81 18.278 12.379 -13.803 1.00 0.00 C ATOM 946 O LEU A 81 18.698 11.255 -13.524 1.00 0.00 O ATOM 947 CB LEU A 81 15.932 13.123 -13.257 1.00 0.00 C ATOM 948 CG LEU A 81 14.815 13.471 -12.255 1.00 0.00 C ATOM 949 CD1 LEU A 81 14.995 12.794 -10.895 1.00 0.00 C ATOM 950 CD2 LEU A 81 14.627 14.976 -12.079 1.00 0.00 C ATOM 0 H LEU A 81 17.140 15.242 -12.903 1.00 0.00 H new ATOM 0 HA LEU A 81 17.506 12.691 -11.825 1.00 0.00 H new ATOM 0 HB2 LEU A 81 15.833 13.802 -14.104 1.00 0.00 H new ATOM 0 HB3 LEU A 81 15.734 12.118 -13.630 1.00 0.00 H new ATOM 0 HG LEU A 81 13.905 13.070 -12.702 1.00 0.00 H new ATOM 0 HD11 LEU A 81 14.176 13.080 -10.235 1.00 0.00 H new ATOM 0 HD12 LEU A 81 14.996 11.712 -11.025 1.00 0.00 H new ATOM 0 HD13 LEU A 81 15.942 13.107 -10.455 1.00 0.00 H new ATOM 0 HD21 LEU A 81 13.827 15.161 -11.362 1.00 0.00 H new ATOM 0 HD22 LEU A 81 15.553 15.418 -11.712 1.00 0.00 H new ATOM 0 HD23 LEU A 81 14.366 15.425 -13.038 1.00 0.00 H new ATOM 962 N GLY A 82 18.562 12.987 -14.956 1.00 0.00 N ATOM 963 CA GLY A 82 19.418 12.447 -16.009 1.00 0.00 C ATOM 964 C GLY A 82 20.913 12.499 -15.681 1.00 0.00 C ATOM 965 O GLY A 82 21.614 11.552 -16.016 1.00 0.00 O ATOM 0 H GLY A 82 18.186 13.906 -15.189 1.00 0.00 H new ATOM 0 HA2 GLY A 82 19.134 11.412 -16.200 1.00 0.00 H new ATOM 0 HA3 GLY A 82 19.239 13.002 -16.930 1.00 0.00 H new ATOM 969 N GLU A 83 21.421 13.506 -14.958 1.00 0.00 N ATOM 970 CA GLU A 83 22.819 13.490 -14.473 1.00 0.00 C ATOM 971 C GLU A 83 23.051 12.272 -13.580 1.00 0.00 C ATOM 972 O GLU A 83 24.036 11.541 -13.719 1.00 0.00 O ATOM 973 CB GLU A 83 23.147 14.708 -13.595 1.00 0.00 C ATOM 974 CG GLU A 83 22.696 16.035 -14.158 1.00 0.00 C ATOM 975 CD GLU A 83 23.377 16.384 -15.498 1.00 0.00 C ATOM 976 OE1 GLU A 83 24.595 16.690 -15.493 1.00 0.00 O ATOM 977 OE2 GLU A 83 22.714 16.367 -16.563 1.00 0.00 O ATOM 0 H GLU A 83 20.894 14.339 -14.694 1.00 0.00 H new ATOM 0 HA GLU A 83 23.444 13.483 -15.366 1.00 0.00 H new ATOM 0 HB2 GLU A 83 22.685 14.568 -12.617 1.00 0.00 H new ATOM 0 HB3 GLU A 83 24.225 14.744 -13.436 1.00 0.00 H new ATOM 0 HG2 GLU A 83 21.616 16.015 -14.300 1.00 0.00 H new ATOM 0 HG3 GLU A 83 22.907 16.822 -13.434 1.00 0.00 H new ATOM 984 N LEU A 84 22.099 12.072 -12.665 1.00 0.00 N ATOM 985 CA LEU A 84 22.157 11.009 -11.668 1.00 0.00 C ATOM 986 C LEU A 84 22.001 9.590 -12.278 1.00 0.00 C ATOM 987 O LEU A 84 22.845 8.727 -12.030 1.00 0.00 O ATOM 988 CB LEU A 84 21.138 11.373 -10.573 1.00 0.00 C ATOM 989 CG LEU A 84 20.882 10.264 -9.557 1.00 0.00 C ATOM 990 CD1 LEU A 84 22.136 9.772 -8.832 1.00 0.00 C ATOM 991 CD2 LEU A 84 19.905 10.750 -8.483 1.00 0.00 C ATOM 0 H LEU A 84 21.261 12.650 -12.598 1.00 0.00 H new ATOM 0 HA LEU A 84 23.147 10.946 -11.217 1.00 0.00 H new ATOM 0 HB2 LEU A 84 21.491 12.259 -10.045 1.00 0.00 H new ATOM 0 HB3 LEU A 84 20.193 11.640 -11.047 1.00 0.00 H new ATOM 0 HG LEU A 84 20.481 9.435 -10.141 1.00 0.00 H new ATOM 0 HD11 LEU A 84 21.864 8.985 -8.129 1.00 0.00 H new ATOM 0 HD12 LEU A 84 22.846 9.379 -9.560 1.00 0.00 H new ATOM 0 HD13 LEU A 84 22.592 10.601 -8.290 1.00 0.00 H new ATOM 0 HD21 LEU A 84 19.729 9.951 -7.763 1.00 0.00 H new ATOM 0 HD22 LEU A 84 20.328 11.614 -7.970 1.00 0.00 H new ATOM 0 HD23 LEU A 84 18.961 11.032 -8.950 1.00 0.00 H new ATOM 1003 N LEU A 85 20.964 9.332 -13.089 1.00 0.00 N ATOM 1004 CA LEU A 85 20.678 8.007 -13.681 1.00 0.00 C ATOM 1005 C LEU A 85 21.378 7.802 -15.052 1.00 0.00 C ATOM 1006 O LEU A 85 21.317 6.725 -15.641 1.00 0.00 O ATOM 1007 CB LEU A 85 19.134 7.878 -13.756 1.00 0.00 C ATOM 1008 CG LEU A 85 18.440 6.502 -13.602 1.00 0.00 C ATOM 1009 CD1 LEU A 85 18.815 5.433 -14.616 1.00 0.00 C ATOM 1010 CD2 LEU A 85 18.646 5.897 -12.217 1.00 0.00 C ATOM 0 H LEU A 85 20.287 10.046 -13.359 1.00 0.00 H new ATOM 0 HA LEU A 85 21.089 7.211 -13.060 1.00 0.00 H new ATOM 0 HB2 LEU A 85 18.721 8.531 -12.987 1.00 0.00 H new ATOM 0 HB3 LEU A 85 18.826 8.285 -14.719 1.00 0.00 H new ATOM 0 HG LEU A 85 17.398 6.767 -13.780 1.00 0.00 H new ATOM 0 HD11 LEU A 85 18.263 4.518 -14.401 1.00 0.00 H new ATOM 0 HD12 LEU A 85 18.566 5.780 -15.619 1.00 0.00 H new ATOM 0 HD13 LEU A 85 19.885 5.234 -14.556 1.00 0.00 H new ATOM 0 HD21 LEU A 85 18.140 4.933 -12.162 1.00 0.00 H new ATOM 0 HD22 LEU A 85 19.712 5.758 -12.036 1.00 0.00 H new ATOM 0 HD23 LEU A 85 18.234 6.567 -11.462 1.00 0.00 H new ATOM 1022 N GLY A 86 21.994 8.841 -15.626 1.00 0.00 N ATOM 1023 CA GLY A 86 22.510 8.870 -17.007 1.00 0.00 C ATOM 1024 C GLY A 86 21.425 9.229 -18.040 1.00 0.00 C ATOM 1025 O GLY A 86 21.727 9.790 -19.096 1.00 0.00 O ATOM 0 H GLY A 86 22.155 9.717 -15.128 1.00 0.00 H new ATOM 0 HA2 GLY A 86 23.322 9.595 -17.072 1.00 0.00 H new ATOM 0 HA3 GLY A 86 22.932 7.896 -17.253 1.00 0.00 H new ATOM 1029 N ARG A 87 20.159 8.921 -17.713 1.00 0.00 N ATOM 1030 CA ARG A 87 18.923 9.174 -18.480 1.00 0.00 C ATOM 1031 C ARG A 87 17.685 8.973 -17.594 1.00 0.00 C ATOM 1032 O ARG A 87 17.646 8.031 -16.812 1.00 0.00 O ATOM 1033 CB ARG A 87 18.859 8.248 -19.725 1.00 0.00 C ATOM 1034 CG ARG A 87 18.625 6.738 -19.493 1.00 0.00 C ATOM 1035 CD ARG A 87 19.606 6.091 -18.505 1.00 0.00 C ATOM 1036 NE ARG A 87 19.441 4.628 -18.435 1.00 0.00 N ATOM 1037 CZ ARG A 87 20.196 3.779 -17.758 1.00 0.00 C ATOM 1038 NH1 ARG A 87 21.131 4.171 -16.938 1.00 0.00 N ATOM 1039 NH2 ARG A 87 20.021 2.495 -17.894 1.00 0.00 N ATOM 0 H ARG A 87 19.954 8.449 -16.832 1.00 0.00 H new ATOM 0 HA ARG A 87 18.935 10.210 -18.820 1.00 0.00 H new ATOM 0 HB2 ARG A 87 18.063 8.614 -20.373 1.00 0.00 H new ATOM 0 HB3 ARG A 87 19.794 8.361 -20.274 1.00 0.00 H new ATOM 0 HG2 ARG A 87 17.609 6.592 -19.126 1.00 0.00 H new ATOM 0 HG3 ARG A 87 18.696 6.220 -20.449 1.00 0.00 H new ATOM 0 HD2 ARG A 87 20.628 6.326 -18.803 1.00 0.00 H new ATOM 0 HD3 ARG A 87 19.457 6.520 -17.514 1.00 0.00 H new ATOM 0 HE ARG A 87 18.665 4.229 -18.963 1.00 0.00 H new ATOM 0 HH11 ARG A 87 21.303 5.167 -16.799 1.00 0.00 H new ATOM 0 HH12 ARG A 87 21.690 3.482 -16.436 1.00 0.00 H new ATOM 0 HH21 ARG A 87 19.300 2.142 -18.524 1.00 0.00 H new ATOM 0 HH22 ARG A 87 20.605 1.842 -17.371 1.00 0.00 H new ATOM 1053 N GLN A 88 16.667 9.818 -17.725 1.00 0.00 N ATOM 1054 CA GLN A 88 15.341 9.610 -17.106 1.00 0.00 C ATOM 1055 C GLN A 88 14.215 10.088 -18.043 1.00 0.00 C ATOM 1056 O GLN A 88 13.215 10.644 -17.596 1.00 0.00 O ATOM 1057 CB GLN A 88 15.254 10.228 -15.687 1.00 0.00 C ATOM 1058 CG GLN A 88 15.799 9.338 -14.547 1.00 0.00 C ATOM 1059 CD GLN A 88 14.984 9.398 -13.242 1.00 0.00 C ATOM 1060 OE1 GLN A 88 14.037 10.148 -13.068 1.00 0.00 O ATOM 1061 NE2 GLN A 88 15.298 8.595 -12.245 1.00 0.00 N ATOM 0 H GLN A 88 16.730 10.679 -18.268 1.00 0.00 H new ATOM 0 HA GLN A 88 15.202 8.538 -16.965 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.802 11.170 -15.684 1.00 0.00 H new ATOM 0 HB3 GLN A 88 14.211 10.465 -15.475 1.00 0.00 H new ATOM 0 HG2 GLN A 88 15.830 8.305 -14.893 1.00 0.00 H new ATOM 0 HG3 GLN A 88 16.826 9.633 -14.333 1.00 0.00 H new ATOM 0 HE21 GLN A 88 16.081 7.948 -12.338 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.758 8.620 -11.380 1.00 0.00 H new ATOM 1070 N SER A 89 14.367 9.911 -19.360 1.00 0.00 N ATOM 1071 CA SER A 89 13.235 10.145 -20.276 1.00 0.00 C ATOM 1072 C SER A 89 12.399 8.873 -20.395 1.00 0.00 C ATOM 1073 O SER A 89 12.917 7.792 -20.689 1.00 0.00 O ATOM 1074 CB SER A 89 13.626 10.689 -21.641 1.00 0.00 C ATOM 1075 OG SER A 89 14.570 11.743 -21.491 1.00 0.00 O ATOM 0 H SER A 89 15.233 9.616 -19.810 1.00 0.00 H new ATOM 0 HA SER A 89 12.637 10.940 -19.831 1.00 0.00 H new ATOM 0 HB2 SER A 89 14.052 9.892 -22.251 1.00 0.00 H new ATOM 0 HB3 SER A 89 12.742 11.053 -22.164 1.00 0.00 H new ATOM 0 HG SER A 89 14.345 12.473 -22.105 1.00 0.00 H new ATOM 1081 N PHE A 90 11.109 9.009 -20.117 1.00 0.00 N ATOM 1082 CA PHE A 90 10.159 7.902 -19.946 1.00 0.00 C ATOM 1083 C PHE A 90 8.711 8.377 -20.034 1.00 0.00 C ATOM 1084 O PHE A 90 8.418 9.575 -19.987 1.00 0.00 O ATOM 1085 CB PHE A 90 10.397 7.209 -18.581 1.00 0.00 C ATOM 1086 CG PHE A 90 9.722 7.871 -17.386 1.00 0.00 C ATOM 1087 CD1 PHE A 90 10.211 9.084 -16.869 1.00 0.00 C ATOM 1088 CD2 PHE A 90 8.578 7.288 -16.809 1.00 0.00 C ATOM 1089 CE1 PHE A 90 9.568 9.712 -15.788 1.00 0.00 C ATOM 1090 CE2 PHE A 90 7.921 7.926 -15.742 1.00 0.00 C ATOM 1091 CZ PHE A 90 8.414 9.138 -15.229 1.00 0.00 C ATOM 0 H PHE A 90 10.673 9.924 -19.999 1.00 0.00 H new ATOM 0 HA PHE A 90 10.329 7.194 -20.757 1.00 0.00 H new ATOM 0 HB2 PHE A 90 10.047 6.179 -18.650 1.00 0.00 H new ATOM 0 HB3 PHE A 90 11.470 7.170 -18.395 1.00 0.00 H new ATOM 0 HD1 PHE A 90 11.088 9.537 -17.306 1.00 0.00 H new ATOM 0 HD2 PHE A 90 8.204 6.348 -17.187 1.00 0.00 H new ATOM 0 HE1 PHE A 90 9.961 10.635 -15.388 1.00 0.00 H new ATOM 0 HE2 PHE A 90 7.034 7.483 -15.315 1.00 0.00 H new ATOM 0 HZ PHE A 90 7.908 9.626 -14.409 1.00 0.00 H new ATOM 1101 N SER A 91 7.803 7.406 -20.114 1.00 0.00 N ATOM 1102 CA SER A 91 6.368 7.655 -20.124 1.00 0.00 C ATOM 1103 C SER A 91 5.689 7.064 -18.894 1.00 0.00 C ATOM 1104 O SER A 91 5.920 5.919 -18.506 1.00 0.00 O ATOM 1105 CB SER A 91 5.801 7.101 -21.430 1.00 0.00 C ATOM 1106 OG SER A 91 6.083 7.987 -22.502 1.00 0.00 O ATOM 0 H SER A 91 8.047 6.418 -20.174 1.00 0.00 H new ATOM 0 HA SER A 91 6.172 8.726 -20.076 1.00 0.00 H new ATOM 0 HB2 SER A 91 6.232 6.121 -21.635 1.00 0.00 H new ATOM 0 HB3 SER A 91 4.724 6.962 -21.337 1.00 0.00 H new ATOM 0 HG SER A 91 5.717 7.621 -23.334 1.00 0.00 H new ATOM 1112 N VAL A 92 4.790 7.852 -18.307 1.00 0.00 N ATOM 1113 CA VAL A 92 4.184 7.589 -16.994 1.00 0.00 C ATOM 1114 C VAL A 92 3.075 6.523 -17.032 1.00 0.00 C ATOM 1115 O VAL A 92 2.718 5.952 -16.001 1.00 0.00 O ATOM 1116 CB VAL A 92 3.752 8.904 -16.294 1.00 0.00 C ATOM 1117 CG1 VAL A 92 4.012 8.752 -14.805 1.00 0.00 C ATOM 1118 CG2 VAL A 92 4.533 10.158 -16.723 1.00 0.00 C ATOM 0 H VAL A 92 4.452 8.713 -18.738 1.00 0.00 H new ATOM 0 HA VAL A 92 4.963 7.146 -16.374 1.00 0.00 H new ATOM 0 HB VAL A 92 2.707 9.049 -16.567 1.00 0.00 H new ATOM 0 HG11 VAL A 92 3.716 9.665 -14.289 1.00 0.00 H new ATOM 0 HG12 VAL A 92 3.434 7.913 -14.418 1.00 0.00 H new ATOM 0 HG13 VAL A 92 5.073 8.569 -14.638 1.00 0.00 H new ATOM 0 HG21 VAL A 92 4.158 11.024 -16.178 1.00 0.00 H new ATOM 0 HG22 VAL A 92 5.591 10.021 -16.502 1.00 0.00 H new ATOM 0 HG23 VAL A 92 4.404 10.318 -17.793 1.00 0.00 H new ATOM 1128 N LYS A 93 2.589 6.186 -18.237 1.00 0.00 N ATOM 1129 CA LYS A 93 1.686 5.049 -18.510 1.00 0.00 C ATOM 1130 C LYS A 93 2.368 3.668 -18.491 1.00 0.00 C ATOM 1131 O LYS A 93 1.688 2.646 -18.573 1.00 0.00 O ATOM 1132 CB LYS A 93 0.951 5.292 -19.842 1.00 0.00 C ATOM 1133 CG LYS A 93 1.870 5.255 -21.077 1.00 0.00 C ATOM 1134 CD LYS A 93 1.069 5.423 -22.375 1.00 0.00 C ATOM 1135 CE LYS A 93 2.006 5.322 -23.586 1.00 0.00 C ATOM 1136 NZ LYS A 93 1.258 5.417 -24.870 1.00 0.00 N ATOM 0 H LYS A 93 2.820 6.714 -19.079 1.00 0.00 H new ATOM 0 HA LYS A 93 0.974 5.011 -17.686 1.00 0.00 H new ATOM 0 HB2 LYS A 93 0.172 4.539 -19.958 1.00 0.00 H new ATOM 0 HB3 LYS A 93 0.454 6.261 -19.800 1.00 0.00 H new ATOM 0 HG2 LYS A 93 2.615 6.047 -21.002 1.00 0.00 H new ATOM 0 HG3 LYS A 93 2.412 4.309 -21.101 1.00 0.00 H new ATOM 0 HD2 LYS A 93 0.297 4.656 -22.437 1.00 0.00 H new ATOM 0 HD3 LYS A 93 0.562 6.388 -22.377 1.00 0.00 H new ATOM 0 HE2 LYS A 93 2.750 6.118 -23.538 1.00 0.00 H new ATOM 0 HE3 LYS A 93 2.548 4.377 -23.549 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 1.924 5.345 -25.666 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 0.566 4.643 -24.927 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 0.761 6.330 -24.916 1.00 0.00 H new ATOM 1150 N ASP A 94 3.699 3.636 -18.407 1.00 0.00 N ATOM 1151 CA ASP A 94 4.547 2.440 -18.471 1.00 0.00 C ATOM 1152 C ASP A 94 5.331 2.259 -17.148 1.00 0.00 C ATOM 1153 O ASP A 94 6.466 2.730 -17.024 1.00 0.00 O ATOM 1154 CB ASP A 94 5.432 2.527 -19.728 1.00 0.00 C ATOM 1155 CG ASP A 94 6.097 1.188 -20.102 1.00 0.00 C ATOM 1156 OD1 ASP A 94 5.810 0.143 -19.469 1.00 0.00 O ATOM 1157 OD2 ASP A 94 6.884 1.171 -21.079 1.00 0.00 O ATOM 0 H ASP A 94 4.246 4.489 -18.286 1.00 0.00 H new ATOM 0 HA ASP A 94 3.945 1.537 -18.569 1.00 0.00 H new ATOM 0 HB2 ASP A 94 4.826 2.870 -20.567 1.00 0.00 H new ATOM 0 HB3 ASP A 94 6.207 3.276 -19.567 1.00 0.00 H new ATOM 1162 N PRO A 95 4.723 1.639 -16.114 1.00 0.00 N ATOM 1163 CA PRO A 95 5.289 1.563 -14.764 1.00 0.00 C ATOM 1164 C PRO A 95 6.565 0.713 -14.645 1.00 0.00 C ATOM 1165 O PRO A 95 7.419 1.033 -13.821 1.00 0.00 O ATOM 1166 CB PRO A 95 4.164 1.014 -13.876 1.00 0.00 C ATOM 1167 CG PRO A 95 3.258 0.266 -14.852 1.00 0.00 C ATOM 1168 CD PRO A 95 3.361 1.131 -16.103 1.00 0.00 C ATOM 0 HA PRO A 95 5.623 2.554 -14.458 1.00 0.00 H new ATOM 0 HB2 PRO A 95 4.553 0.351 -13.103 1.00 0.00 H new ATOM 0 HB3 PRO A 95 3.628 1.816 -13.368 1.00 0.00 H new ATOM 0 HG2 PRO A 95 3.603 -0.753 -15.030 1.00 0.00 H new ATOM 0 HG3 PRO A 95 2.233 0.197 -14.487 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.152 0.549 -17.001 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.638 1.947 -16.077 1.00 0.00 H new ATOM 1176 N SER A 96 6.739 -0.341 -15.449 1.00 0.00 N ATOM 1177 CA SER A 96 7.893 -1.255 -15.342 1.00 0.00 C ATOM 1178 C SER A 96 9.264 -0.568 -15.496 1.00 0.00 C ATOM 1179 O SER A 96 10.098 -0.730 -14.599 1.00 0.00 O ATOM 1180 CB SER A 96 7.780 -2.419 -16.333 1.00 0.00 C ATOM 1181 OG SER A 96 6.602 -3.173 -16.078 1.00 0.00 O ATOM 0 H SER A 96 6.087 -0.589 -16.193 1.00 0.00 H new ATOM 0 HA SER A 96 7.851 -1.636 -14.322 1.00 0.00 H new ATOM 0 HB2 SER A 96 7.761 -2.036 -17.353 1.00 0.00 H new ATOM 0 HB3 SER A 96 8.656 -3.062 -16.250 1.00 0.00 H new ATOM 0 HG SER A 96 6.541 -3.912 -16.719 1.00 0.00 H new ATOM 1187 N PRO A 97 9.531 0.230 -16.556 1.00 0.00 N ATOM 1188 CA PRO A 97 10.784 0.978 -16.664 1.00 0.00 C ATOM 1189 C PRO A 97 10.904 2.086 -15.603 1.00 0.00 C ATOM 1190 O PRO A 97 11.999 2.325 -15.095 1.00 0.00 O ATOM 1191 CB PRO A 97 10.807 1.549 -18.088 1.00 0.00 C ATOM 1192 CG PRO A 97 9.330 1.637 -18.467 1.00 0.00 C ATOM 1193 CD PRO A 97 8.747 0.411 -17.771 1.00 0.00 C ATOM 0 HA PRO A 97 11.639 0.327 -16.480 1.00 0.00 H new ATOM 0 HB2 PRO A 97 11.287 2.527 -18.120 1.00 0.00 H new ATOM 0 HB3 PRO A 97 11.358 0.901 -18.770 1.00 0.00 H new ATOM 0 HG2 PRO A 97 8.873 2.562 -18.114 1.00 0.00 H new ATOM 0 HG3 PRO A 97 9.183 1.601 -19.547 1.00 0.00 H new ATOM 0 HD2 PRO A 97 7.693 0.559 -17.537 1.00 0.00 H new ATOM 0 HD3 PRO A 97 8.811 -0.469 -18.411 1.00 0.00 H new ATOM 1201 N LEU A 98 9.787 2.721 -15.218 1.00 0.00 N ATOM 1202 CA LEU A 98 9.725 3.751 -14.176 1.00 0.00 C ATOM 1203 C LEU A 98 10.196 3.192 -12.825 1.00 0.00 C ATOM 1204 O LEU A 98 11.038 3.810 -12.182 1.00 0.00 O ATOM 1205 CB LEU A 98 8.280 4.314 -14.148 1.00 0.00 C ATOM 1206 CG LEU A 98 7.802 4.952 -12.828 1.00 0.00 C ATOM 1207 CD1 LEU A 98 8.644 6.167 -12.473 1.00 0.00 C ATOM 1208 CD2 LEU A 98 6.333 5.364 -12.909 1.00 0.00 C ATOM 0 H LEU A 98 8.878 2.525 -15.636 1.00 0.00 H new ATOM 0 HA LEU A 98 10.406 4.573 -14.395 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.192 5.061 -14.937 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.596 3.504 -14.400 1.00 0.00 H new ATOM 0 HG LEU A 98 7.915 4.197 -12.050 1.00 0.00 H new ATOM 0 HD11 LEU A 98 8.285 6.598 -11.538 1.00 0.00 H new ATOM 0 HD12 LEU A 98 9.686 5.867 -12.358 1.00 0.00 H new ATOM 0 HD13 LEU A 98 8.565 6.909 -13.268 1.00 0.00 H new ATOM 0 HD21 LEU A 98 6.028 5.810 -11.963 1.00 0.00 H new ATOM 0 HD22 LEU A 98 6.202 6.090 -13.711 1.00 0.00 H new ATOM 0 HD23 LEU A 98 5.719 4.486 -13.111 1.00 0.00 H new ATOM 1220 N TYR A 99 9.735 2.011 -12.411 1.00 0.00 N ATOM 1221 CA TYR A 99 10.180 1.382 -11.163 1.00 0.00 C ATOM 1222 C TYR A 99 11.704 1.182 -11.115 1.00 0.00 C ATOM 1223 O TYR A 99 12.303 1.430 -10.072 1.00 0.00 O ATOM 1224 CB TYR A 99 9.441 0.053 -10.937 1.00 0.00 C ATOM 1225 CG TYR A 99 8.111 0.189 -10.214 1.00 0.00 C ATOM 1226 CD1 TYR A 99 8.084 0.644 -8.879 1.00 0.00 C ATOM 1227 CD2 TYR A 99 6.907 -0.168 -10.852 1.00 0.00 C ATOM 1228 CE1 TYR A 99 6.862 0.750 -8.188 1.00 0.00 C ATOM 1229 CE2 TYR A 99 5.681 -0.050 -10.169 1.00 0.00 C ATOM 1230 CZ TYR A 99 5.654 0.405 -8.834 1.00 0.00 C ATOM 1231 OH TYR A 99 4.464 0.487 -8.175 1.00 0.00 O ATOM 0 H TYR A 99 9.046 1.464 -12.927 1.00 0.00 H new ATOM 0 HA TYR A 99 9.930 2.065 -10.351 1.00 0.00 H new ATOM 0 HB2 TYR A 99 9.269 -0.422 -11.903 1.00 0.00 H new ATOM 0 HB3 TYR A 99 10.085 -0.614 -10.364 1.00 0.00 H new ATOM 0 HD1 TYR A 99 9.006 0.912 -8.384 1.00 0.00 H new ATOM 0 HD2 TYR A 99 6.924 -0.533 -11.868 1.00 0.00 H new ATOM 0 HE1 TYR A 99 6.848 1.095 -7.165 1.00 0.00 H new ATOM 0 HE2 TYR A 99 4.759 -0.309 -10.669 1.00 0.00 H new ATOM 0 HH TYR A 99 3.739 0.212 -8.774 1.00 0.00 H new ATOM 1241 N ASP A 100 12.357 0.821 -12.223 1.00 0.00 N ATOM 1242 CA ASP A 100 13.817 0.654 -12.261 1.00 0.00 C ATOM 1243 C ASP A 100 14.565 1.977 -12.014 1.00 0.00 C ATOM 1244 O ASP A 100 15.402 2.064 -11.116 1.00 0.00 O ATOM 1245 CB ASP A 100 14.225 0.042 -13.605 1.00 0.00 C ATOM 1246 CG ASP A 100 15.710 -0.357 -13.604 1.00 0.00 C ATOM 1247 OD1 ASP A 100 16.054 -1.405 -13.007 1.00 0.00 O ATOM 1248 OD2 ASP A 100 16.536 0.370 -14.205 1.00 0.00 O ATOM 0 H ASP A 100 11.895 0.637 -13.114 1.00 0.00 H new ATOM 0 HA ASP A 100 14.100 -0.018 -11.451 1.00 0.00 H new ATOM 0 HB2 ASP A 100 13.610 -0.834 -13.811 1.00 0.00 H new ATOM 0 HB3 ASP A 100 14.038 0.758 -14.406 1.00 0.00 H new ATOM 1253 N MET A 101 14.216 3.032 -12.756 1.00 0.00 N ATOM 1254 CA MET A 101 14.812 4.372 -12.589 1.00 0.00 C ATOM 1255 C MET A 101 14.433 5.069 -11.264 1.00 0.00 C ATOM 1256 O MET A 101 15.223 5.852 -10.735 1.00 0.00 O ATOM 1257 CB MET A 101 14.553 5.278 -13.814 1.00 0.00 C ATOM 1258 CG MET A 101 13.236 5.081 -14.560 1.00 0.00 C ATOM 1259 SD MET A 101 12.463 6.597 -15.181 1.00 0.00 S ATOM 1260 CE MET A 101 11.892 7.269 -13.597 1.00 0.00 C ATOM 0 H MET A 101 13.511 2.987 -13.492 1.00 0.00 H new ATOM 0 HA MET A 101 15.887 4.201 -12.526 1.00 0.00 H new ATOM 0 HB2 MET A 101 14.602 6.316 -13.484 1.00 0.00 H new ATOM 0 HB3 MET A 101 15.368 5.130 -14.522 1.00 0.00 H new ATOM 0 HG2 MET A 101 13.411 4.411 -15.402 1.00 0.00 H new ATOM 0 HG3 MET A 101 12.532 4.580 -13.895 1.00 0.00 H new ATOM 0 HE1 MET A 101 10.824 7.478 -13.654 1.00 0.00 H new ATOM 0 HE2 MET A 101 12.078 6.543 -12.806 1.00 0.00 H new ATOM 0 HE3 MET A 101 12.431 8.191 -13.378 1.00 0.00 H new ATOM 1270 N LEU A 102 13.252 4.786 -10.706 1.00 0.00 N ATOM 1271 CA LEU A 102 12.733 5.323 -9.450 1.00 0.00 C ATOM 1272 C LEU A 102 13.412 4.664 -8.252 1.00 0.00 C ATOM 1273 O LEU A 102 14.000 5.379 -7.451 1.00 0.00 O ATOM 1274 CB LEU A 102 11.206 5.132 -9.432 1.00 0.00 C ATOM 1275 CG LEU A 102 10.474 5.747 -8.229 1.00 0.00 C ATOM 1276 CD1 LEU A 102 10.528 7.274 -8.258 1.00 0.00 C ATOM 1277 CD2 LEU A 102 9.024 5.280 -8.264 1.00 0.00 C ATOM 0 H LEU A 102 12.597 4.139 -11.146 1.00 0.00 H new ATOM 0 HA LEU A 102 12.955 6.388 -9.377 1.00 0.00 H new ATOM 0 HB2 LEU A 102 10.793 5.562 -10.344 1.00 0.00 H new ATOM 0 HB3 LEU A 102 10.991 4.064 -9.458 1.00 0.00 H new ATOM 0 HG LEU A 102 10.964 5.422 -7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 102 10.000 7.673 -7.392 1.00 0.00 H new ATOM 0 HD12 LEU A 102 11.567 7.602 -8.232 1.00 0.00 H new ATOM 0 HD13 LEU A 102 10.055 7.638 -9.170 1.00 0.00 H new ATOM 0 HD21 LEU A 102 8.484 5.705 -7.418 1.00 0.00 H new ATOM 0 HD22 LEU A 102 8.558 5.608 -9.193 1.00 0.00 H new ATOM 0 HD23 LEU A 102 8.991 4.192 -8.206 1.00 0.00 H new ATOM 1289 N ARG A 103 13.424 3.325 -8.155 1.00 0.00 N ATOM 1290 CA ARG A 103 13.991 2.588 -7.002 1.00 0.00 C ATOM 1291 C ARG A 103 15.478 2.873 -6.767 1.00 0.00 C ATOM 1292 O ARG A 103 15.952 2.822 -5.633 1.00 0.00 O ATOM 1293 CB ARG A 103 13.743 1.084 -7.162 1.00 0.00 C ATOM 1294 CG ARG A 103 12.257 0.771 -6.943 1.00 0.00 C ATOM 1295 CD ARG A 103 12.033 -0.732 -7.053 1.00 0.00 C ATOM 1296 NE ARG A 103 12.469 -1.413 -5.816 1.00 0.00 N ATOM 1297 CZ ARG A 103 13.148 -2.537 -5.681 1.00 0.00 C ATOM 1298 NH1 ARG A 103 13.530 -3.255 -6.699 1.00 0.00 N ATOM 1299 NH2 ARG A 103 13.452 -2.962 -4.490 1.00 0.00 N ATOM 0 H ARG A 103 13.039 2.715 -8.876 1.00 0.00 H new ATOM 0 HA ARG A 103 13.473 2.950 -6.114 1.00 0.00 H new ATOM 0 HB2 ARG A 103 14.048 0.761 -8.157 1.00 0.00 H new ATOM 0 HB3 ARG A 103 14.349 0.529 -6.446 1.00 0.00 H new ATOM 0 HG2 ARG A 103 11.940 1.126 -5.962 1.00 0.00 H new ATOM 0 HG3 ARG A 103 11.651 1.295 -7.682 1.00 0.00 H new ATOM 0 HD2 ARG A 103 10.978 -0.936 -7.235 1.00 0.00 H new ATOM 0 HD3 ARG A 103 12.585 -1.126 -7.906 1.00 0.00 H new ATOM 0 HE ARG A 103 12.209 -0.950 -4.945 1.00 0.00 H new ATOM 0 HH11 ARG A 103 13.306 -2.955 -7.648 1.00 0.00 H new ATOM 0 HH12 ARG A 103 14.053 -4.117 -6.547 1.00 0.00 H new ATOM 0 HH21 ARG A 103 13.166 -2.428 -3.669 1.00 0.00 H new ATOM 0 HH22 ARG A 103 13.976 -3.829 -4.376 1.00 0.00 H new ATOM 1313 N LYS A 104 16.194 3.228 -7.839 1.00 0.00 N ATOM 1314 CA LYS A 104 17.600 3.669 -7.816 1.00 0.00 C ATOM 1315 C LYS A 104 17.787 5.105 -7.313 1.00 0.00 C ATOM 1316 O LYS A 104 18.842 5.388 -6.747 1.00 0.00 O ATOM 1317 CB LYS A 104 18.200 3.471 -9.222 1.00 0.00 C ATOM 1318 CG LYS A 104 18.266 1.989 -9.644 1.00 0.00 C ATOM 1319 CD LYS A 104 19.350 1.185 -8.910 1.00 0.00 C ATOM 1320 CE LYS A 104 19.310 -0.274 -9.384 1.00 0.00 C ATOM 1321 NZ LYS A 104 20.362 -1.099 -8.727 1.00 0.00 N ATOM 0 H LYS A 104 15.801 3.217 -8.780 1.00 0.00 H new ATOM 0 HA LYS A 104 18.135 3.054 -7.092 1.00 0.00 H new ATOM 0 HB2 LYS A 104 17.603 4.024 -9.947 1.00 0.00 H new ATOM 0 HB3 LYS A 104 19.204 3.895 -9.246 1.00 0.00 H new ATOM 0 HG2 LYS A 104 17.297 1.525 -9.462 1.00 0.00 H new ATOM 0 HG3 LYS A 104 18.449 1.934 -10.717 1.00 0.00 H new ATOM 0 HD2 LYS A 104 20.332 1.616 -9.105 1.00 0.00 H new ATOM 0 HD3 LYS A 104 19.188 1.234 -7.833 1.00 0.00 H new ATOM 0 HE2 LYS A 104 18.329 -0.699 -9.170 1.00 0.00 H new ATOM 0 HE3 LYS A 104 19.444 -0.309 -10.465 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 20.302 -2.078 -9.073 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 21.300 -0.709 -8.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 20.220 -1.087 -7.697 1.00 0.00 H new ATOM 1335 N ASN A 105 16.784 5.983 -7.452 1.00 0.00 N ATOM 1336 CA ASN A 105 16.866 7.389 -6.990 1.00 0.00 C ATOM 1337 C ASN A 105 16.073 7.678 -5.693 1.00 0.00 C ATOM 1338 O ASN A 105 16.390 8.618 -4.967 1.00 0.00 O ATOM 1339 CB ASN A 105 16.453 8.299 -8.168 1.00 0.00 C ATOM 1340 CG ASN A 105 17.531 8.432 -9.234 1.00 0.00 C ATOM 1341 OD1 ASN A 105 18.549 7.762 -9.235 1.00 0.00 O ATOM 1342 ND2 ASN A 105 17.357 9.346 -10.161 1.00 0.00 N ATOM 0 H ASN A 105 15.892 5.746 -7.886 1.00 0.00 H new ATOM 0 HA ASN A 105 17.895 7.602 -6.699 1.00 0.00 H new ATOM 0 HB2 ASN A 105 15.547 7.901 -8.625 1.00 0.00 H new ATOM 0 HB3 ASN A 105 16.208 9.289 -7.784 1.00 0.00 H new ATOM 0 HD21 ASN A 105 18.071 9.491 -10.875 1.00 0.00 H new ATOM 0 HD22 ASN A 105 16.508 9.911 -10.167 1.00 0.00 H new ATOM 1349 N LEU A 106 15.086 6.846 -5.367 1.00 0.00 N ATOM 1350 CA LEU A 106 14.317 6.807 -4.123 1.00 0.00 C ATOM 1351 C LEU A 106 14.172 5.333 -3.721 1.00 0.00 C ATOM 1352 O LEU A 106 13.454 4.587 -4.383 1.00 0.00 O ATOM 1353 CB LEU A 106 12.949 7.480 -4.374 1.00 0.00 C ATOM 1354 CG LEU A 106 11.864 7.210 -3.309 1.00 0.00 C ATOM 1355 CD1 LEU A 106 12.236 7.723 -1.918 1.00 0.00 C ATOM 1356 CD2 LEU A 106 10.561 7.882 -3.732 1.00 0.00 C ATOM 0 H LEU A 106 14.778 6.123 -6.018 1.00 0.00 H new ATOM 0 HA LEU A 106 14.808 7.345 -3.312 1.00 0.00 H new ATOM 0 HB2 LEU A 106 13.102 8.557 -4.445 1.00 0.00 H new ATOM 0 HB3 LEU A 106 12.573 7.147 -5.341 1.00 0.00 H new ATOM 0 HG LEU A 106 11.759 6.127 -3.244 1.00 0.00 H new ATOM 0 HD11 LEU A 106 11.429 7.500 -1.220 1.00 0.00 H new ATOM 0 HD12 LEU A 106 13.151 7.235 -1.583 1.00 0.00 H new ATOM 0 HD13 LEU A 106 12.393 8.801 -1.958 1.00 0.00 H new ATOM 0 HD21 LEU A 106 9.794 7.693 -2.981 1.00 0.00 H new ATOM 0 HD22 LEU A 106 10.719 8.956 -3.826 1.00 0.00 H new ATOM 0 HD23 LEU A 106 10.238 7.478 -4.691 1.00 0.00 H new ATOM 1368 N VAL A 107 14.838 4.903 -2.646 1.00 0.00 N ATOM 1369 CA VAL A 107 14.750 3.501 -2.188 1.00 0.00 C ATOM 1370 C VAL A 107 13.327 3.183 -1.697 1.00 0.00 C ATOM 1371 O VAL A 107 12.825 3.792 -0.753 1.00 0.00 O ATOM 1372 CB VAL A 107 15.870 3.141 -1.189 1.00 0.00 C ATOM 1373 CG1 VAL A 107 15.841 3.917 0.133 1.00 0.00 C ATOM 1374 CG2 VAL A 107 15.868 1.640 -0.881 1.00 0.00 C ATOM 0 H VAL A 107 15.442 5.495 -2.076 1.00 0.00 H new ATOM 0 HA VAL A 107 14.931 2.842 -3.038 1.00 0.00 H new ATOM 0 HB VAL A 107 16.786 3.436 -1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 107 16.668 3.591 0.764 1.00 0.00 H new ATOM 0 HG12 VAL A 107 15.937 4.984 -0.069 1.00 0.00 H new ATOM 0 HG13 VAL A 107 14.897 3.729 0.645 1.00 0.00 H new ATOM 0 HG21 VAL A 107 16.666 1.412 -0.175 1.00 0.00 H new ATOM 0 HG22 VAL A 107 14.909 1.359 -0.447 1.00 0.00 H new ATOM 0 HG23 VAL A 107 16.028 1.079 -1.802 1.00 0.00 H new ATOM 1384 N THR A 108 12.645 2.269 -2.395 1.00 0.00 N ATOM 1385 CA THR A 108 11.231 1.906 -2.173 1.00 0.00 C ATOM 1386 C THR A 108 10.897 0.548 -2.817 1.00 0.00 C ATOM 1387 O THR A 108 11.768 -0.106 -3.399 1.00 0.00 O ATOM 1388 CB THR A 108 10.303 3.040 -2.670 1.00 0.00 C ATOM 1389 OG1 THR A 108 8.995 2.826 -2.177 1.00 0.00 O ATOM 1390 CG2 THR A 108 10.219 3.188 -4.190 1.00 0.00 C ATOM 0 H THR A 108 13.071 1.741 -3.156 1.00 0.00 H new ATOM 0 HA THR A 108 11.062 1.790 -1.103 1.00 0.00 H new ATOM 0 HB THR A 108 10.747 3.960 -2.291 1.00 0.00 H new ATOM 0 HG1 THR A 108 8.406 3.544 -2.489 1.00 0.00 H new ATOM 0 HG21 THR A 108 9.545 4.008 -4.439 1.00 0.00 H new ATOM 0 HG22 THR A 108 11.211 3.399 -4.590 1.00 0.00 H new ATOM 0 HG23 THR A 108 9.841 2.263 -4.625 1.00 0.00 H new ATOM 1398 N LEU A 109 9.643 0.108 -2.705 1.00 0.00 N ATOM 1399 CA LEU A 109 9.110 -1.122 -3.303 1.00 0.00 C ATOM 1400 C LEU A 109 8.928 -1.058 -4.834 1.00 0.00 C ATOM 1401 O LEU A 109 9.144 -0.030 -5.476 1.00 0.00 O ATOM 1402 CB LEU A 109 7.812 -1.521 -2.590 1.00 0.00 C ATOM 1403 CG LEU A 109 6.690 -0.468 -2.728 1.00 0.00 C ATOM 1404 CD1 LEU A 109 5.501 -1.040 -3.492 1.00 0.00 C ATOM 1405 CD2 LEU A 109 6.231 -0.004 -1.349 1.00 0.00 C ATOM 0 H LEU A 109 8.939 0.619 -2.173 1.00 0.00 H new ATOM 0 HA LEU A 109 9.862 -1.897 -3.153 1.00 0.00 H new ATOM 0 HB2 LEU A 109 7.461 -2.471 -2.994 1.00 0.00 H new ATOM 0 HB3 LEU A 109 8.021 -1.682 -1.533 1.00 0.00 H new ATOM 0 HG LEU A 109 7.090 0.381 -3.283 1.00 0.00 H new ATOM 0 HD11 LEU A 109 4.724 -0.281 -3.577 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.821 -1.344 -4.488 1.00 0.00 H new ATOM 0 HD13 LEU A 109 5.107 -1.905 -2.958 1.00 0.00 H new ATOM 0 HD21 LEU A 109 5.440 0.738 -1.459 1.00 0.00 H new ATOM 0 HD22 LEU A 109 5.852 -0.857 -0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 109 7.072 0.439 -0.816 1.00 0.00 H new ATOM 1417 N ALA A 110 8.526 -2.192 -5.405 1.00 0.00 N ATOM 1418 CA ALA A 110 8.447 -2.457 -6.838 1.00 0.00 C ATOM 1419 C ALA A 110 7.048 -2.938 -7.285 1.00 0.00 C ATOM 1420 O ALA A 110 6.230 -3.357 -6.461 1.00 0.00 O ATOM 1421 CB ALA A 110 9.532 -3.498 -7.120 1.00 0.00 C ATOM 0 H ALA A 110 8.231 -2.994 -4.848 1.00 0.00 H new ATOM 0 HA ALA A 110 8.607 -1.544 -7.411 1.00 0.00 H new ATOM 0 HB1 ALA A 110 9.531 -3.746 -8.181 1.00 0.00 H new ATOM 0 HB2 ALA A 110 10.505 -3.093 -6.843 1.00 0.00 H new ATOM 0 HB3 ALA A 110 9.334 -4.397 -6.537 1.00 0.00 H new ATOM 1427 N THR A 111 6.791 -2.887 -8.600 1.00 0.00 N ATOM 1428 CA THR A 111 5.581 -3.399 -9.287 1.00 0.00 C ATOM 1429 C THR A 111 4.274 -3.113 -8.541 1.00 0.00 C ATOM 1430 O THR A 111 3.189 -3.129 -9.138 1.00 0.00 O ATOM 1431 CB THR A 111 5.695 -4.896 -9.648 1.00 0.00 C ATOM 1432 OG1 THR A 111 5.944 -5.719 -8.521 1.00 0.00 O ATOM 1433 CG2 THR A 111 6.836 -5.144 -10.639 1.00 0.00 C ATOM 0 H THR A 111 7.452 -2.467 -9.253 1.00 0.00 H new ATOM 0 HA THR A 111 5.533 -2.832 -10.216 1.00 0.00 H new ATOM 0 HB THR A 111 4.730 -5.155 -10.083 1.00 0.00 H new ATOM 0 HG1 THR A 111 6.005 -6.655 -8.806 1.00 0.00 H new ATOM 0 HG21 THR A 111 6.890 -6.207 -10.873 1.00 0.00 H new ATOM 0 HG22 THR A 111 6.653 -4.580 -11.554 1.00 0.00 H new ATOM 0 HG23 THR A 111 7.779 -4.822 -10.197 1.00 0.00 H new TER 1441 THR A 111 HETATM 1442 N 44Z A 200 2.407 9.966 -12.014 1.00 0.00 N HETATM 1443 C1 44Z A 200 -0.134 15.930 -12.792 1.00 0.00 C HETATM 1444 O1 44Z A 200 -0.329 17.107 -13.031 1.00 0.00 O HETATM 1445 N1 44Z A 200 -0.994 15.032 -13.298 1.00 0.00 N HETATM 1446 C2 44Z A 200 -0.923 13.583 -13.061 1.00 0.00 C HETATM 1447 C3 44Z A 200 -0.035 13.213 -11.855 1.00 0.00 C HETATM 1448 N2 44Z A 200 1.244 13.958 -11.849 1.00 0.00 N HETATM 1449 C4 44Z A 200 1.044 15.431 -11.956 1.00 0.00 C HETATM 1450 C5 44Z A 200 2.410 13.471 -11.343 1.00 0.00 C HETATM 1451 O5 44Z A 200 3.139 14.208 -10.702 1.00 0.00 O HETATM 1452 N3 44Z A 200 2.718 12.166 -11.514 1.00 0.00 N HETATM 1453 C6 44Z A 200 2.318 11.170 -12.443 1.00 0.00 C HETATM 1454 C7 44Z A 200 3.060 9.936 -10.677 1.00 0.00 C HETATM 1455 C8 44Z A 200 3.397 11.446 -10.430 1.00 0.00 C HETATM 1456 CG1 44Z A 200 4.899 11.717 -10.293 1.00 0.00 C HETATM 1457 CD1 44Z A 200 5.714 12.106 -11.364 1.00 0.00 C HETATM 1458 CE1 44Z A 200 7.102 12.146 -11.200 1.00 0.00 C HETATM 1459 CZ1 44Z A 200 7.680 11.770 -9.985 1.00 0.00 C HETATM 1460 CL 44Z A 200 9.401 11.718 -9.825 1.00 0.00 CL HETATM 1461 CE2 44Z A 200 6.872 11.365 -8.925 1.00 0.00 C HETATM 1462 CD2 44Z A 200 5.498 11.366 -9.086 1.00 0.00 C HETATM 1463 CG2 44Z A 200 4.282 9.009 -10.558 1.00 0.00 C HETATM 1464 CD3 44Z A 200 5.297 9.051 -11.520 1.00 0.00 C HETATM 1465 CE3 44Z A 200 6.566 8.560 -11.228 1.00 0.00 C HETATM 1466 CZ2 44Z A 200 6.812 7.960 -9.996 1.00 0.00 C HETATM 1467 CE4 44Z A 200 5.776 7.780 -9.095 1.00 0.00 C HETATM 1468 O4 44Z A 200 6.030 7.160 -7.894 1.00 0.00 O HETATM 1469 CD4 44Z A 200 4.521 8.309 -9.368 1.00 0.00 C HETATM 1470 CG3 44Z A 200 1.810 11.475 -13.817 1.00 0.00 C HETATM 1471 CD5 44Z A 200 0.905 10.575 -14.393 1.00 0.00 C HETATM 1472 CE5 44Z A 200 0.354 10.814 -15.647 1.00 0.00 C HETATM 1473 CZ3 44Z A 200 0.710 11.957 -16.360 1.00 0.00 C HETATM 1474 CE6 44Z A 200 1.644 12.834 -15.826 1.00 0.00 C HETATM 1475 CD6 44Z A 200 2.217 12.590 -14.572 1.00 0.00 C HETATM 1476 O6 44Z A 200 3.259 13.378 -14.118 1.00 0.00 O HETATM 1477 C9 44Z A 200 4.088 14.197 -14.977 1.00 0.00 C HETATM 1478 CM2 44Z A 200 3.541 15.637 -15.003 1.00 0.00 C HETATM 1479 CM3 44Z A 200 5.511 14.162 -14.404 1.00 0.00 C HETATM 1480 O3 44Z A 200 0.183 12.252 -17.602 1.00 0.00 O HETATM 1481 CM1 44Z A 200 -0.832 11.436 -18.230 1.00 0.00 C HETATM 1482 CM4 44Z A 200 5.387 5.897 -7.609 1.00 0.00 C