USER MOD reduce.3.24.130724 H: found=0, std=0, add=864, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 864 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 54 ASN : amide:sc= -1.02 K(o=-0.83,f=-9.4!) USER MOD Set 1.2: A 55 SER OG : rot -39:sc= 0.185 USER MOD Set 2.1: A 32 GLN : amide:sc= -1.45 K(o=-0.34,f=-6.7!) USER MOD Set 2.2: A 36 LYS NZ :NH3+ -145:sc= 1.11 (180deg=-0.0291) USER MOD Set 3.1: A 11 GLN :FLIP amide:sc= 0.64 F(o=0.88,f=1.5) USER MOD Set 3.2: A 19 TYR OH : rot -65:sc= 0.858 USER MOD Set 4.1: A 4 MET CE :methyl 168:sc= 0 (180deg=0) USER MOD Set 4.2: A 21 SER OG : rot 90:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -164:sc= 1.16 (180deg=0.818) USER MOD Single : A 2 SER OG : rot 180:sc= -0.0284 USER MOD Single : A 5 GLN : amide:sc= -4.82! C(o=-4.8!,f=-8.2!) USER MOD Single : A 6 ASN : amide:sc= -0.435 K(o=-0.44,f=-1.8!) USER MOD Single : A 8 LYS NZ :NH3+ -136:sc= 1.31 (180deg=0.665) USER MOD Single : A 9 ASN : amide:sc= -0.512 K(o=-0.51,f=-1.6!) USER MOD Single : A 10 TYR OH : rot 180:sc=-0.00533 USER MOD Single : A 12 HIS : no HD1:sc= -0.304 K(o=-0.3,f=-1.5) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= 0.262 K(o=0.26,f=-3!) USER MOD Single : A 24 TYR OH : rot -112:sc= -0.857 USER MOD Single : A 30 TYR OH : rot 180:sc= -0.13 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 THR OG1 : rot 86:sc= 1.13 USER MOD Single : A 39 THR OG1 : rot -120:sc= -1.31 USER MOD Single : A 43 TYR OH : rot 53:sc= 0.00707 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 TYR OH : rot 180:sc= -0.017 USER MOD Single : A 52 CYS SG : rot 97:sc= -2.95! USER MOD Single : A 56 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 SER OG : rot 180:sc= -0.355 USER MOD Single : A 61 GLN : amide:sc= -0.825 K(o=-0.82,f=-1.5) USER MOD Single : A 62 CYS SG : rot 42:sc= -1.17 USER MOD Single : A 66 THR OG1 : rot 150:sc= -0.0648 USER MOD Single : A 72 LYS NZ :NH3+ -170:sc= -0.012 (180deg=-0.123) USER MOD Single : A 76 TYR OH : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS : no HD1:sc= -3.98! K(o=-4!,f=-4.6) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 CYS SG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ 179:sc= -0.0811 (180deg=-0.0989) USER MOD Single : A 91 THR OG1 : rot -19:sc= 0.769 USER MOD Single : A 92 SER OG : rot 73:sc= 0.828 USER MOD Single : A 94 HIS : no HD1:sc= -0.101 X(o=-0.1,f=-0.00017) USER MOD Single : A 98 MET CE :methyl 154:sc= -0.081 (180deg=-0.614) USER MOD Single : A 106 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 107 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 108 HIS : no HE2:sc= 0.209 K(o=0.21,f=-4!) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 110 HIS : no HD1:sc= -0.0585 X(o=-0.058,f=-0.058) USER MOD Single : A 111 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -3.460 -8.856 1.533 1.00 13.35 N ATOM 2 CA MET A 1 -4.768 -9.205 0.915 1.00 11.13 C ATOM 3 C MET A 1 -5.491 -7.939 0.429 1.00 35.10 C ATOM 4 O MET A 1 -6.125 -7.240 1.216 1.00 54.51 O ATOM 5 CB MET A 1 -5.646 -9.961 1.926 1.00 13.32 C ATOM 6 CG MET A 1 -5.023 -11.252 2.446 1.00 32.31 C ATOM 7 SD MET A 1 -6.020 -12.038 3.728 1.00 5.40 S ATOM 8 CE MET A 1 -5.005 -13.463 4.118 1.00 55.04 C ATOM 0 H1 MET A 1 -2.872 -9.711 1.608 1.00 13.35 H new ATOM 0 H2 MET A 1 -2.974 -8.152 0.942 1.00 13.35 H new ATOM 0 H3 MET A 1 -3.619 -8.461 2.482 1.00 13.35 H new ATOM 0 HA MET A 1 -4.583 -9.849 0.055 1.00 11.13 H new ATOM 0 HB2 MET A 1 -5.856 -9.305 2.771 1.00 13.32 H new ATOM 0 HB3 MET A 1 -6.602 -10.194 1.458 1.00 13.32 H new ATOM 0 HG2 MET A 1 -4.891 -11.947 1.617 1.00 32.31 H new ATOM 0 HG3 MET A 1 -4.031 -11.038 2.843 1.00 32.31 H new ATOM 0 HE1 MET A 1 -5.488 -14.052 4.898 1.00 55.04 H new ATOM 0 HE2 MET A 1 -4.880 -14.076 3.225 1.00 55.04 H new ATOM 0 HE3 MET A 1 -4.028 -13.129 4.468 1.00 55.04 H new ATOM 20 N SER A 2 -5.381 -7.640 -0.870 1.00 41.44 N ATOM 21 CA SER A 2 -5.929 -6.388 -1.421 1.00 11.05 C ATOM 22 C SER A 2 -6.219 -6.479 -2.931 1.00 53.30 C ATOM 23 O SER A 2 -6.029 -7.521 -3.577 1.00 52.33 O ATOM 24 CB SER A 2 -4.953 -5.222 -1.164 1.00 0.53 C ATOM 25 OG SER A 2 -4.755 -4.991 0.224 1.00 21.24 O ATOM 0 H SER A 2 -4.923 -8.239 -1.557 1.00 41.44 H new ATOM 0 HA SER A 2 -6.876 -6.211 -0.911 1.00 11.05 H new ATOM 0 HB2 SER A 2 -3.995 -5.440 -1.636 1.00 0.53 H new ATOM 0 HB3 SER A 2 -5.339 -4.316 -1.631 1.00 0.53 H new ATOM 0 HG SER A 2 -4.130 -4.246 0.346 1.00 21.24 H new ATOM 31 N TRP A 3 -6.674 -5.360 -3.493 1.00 11.43 N ATOM 32 CA TRP A 3 -6.979 -5.268 -4.925 1.00 41.43 C ATOM 33 C TRP A 3 -5.754 -5.584 -5.797 1.00 3.41 C ATOM 34 O TRP A 3 -5.897 -5.955 -6.954 1.00 24.54 O ATOM 35 CB TRP A 3 -7.530 -3.875 -5.260 1.00 14.13 C ATOM 36 CG TRP A 3 -8.831 -3.577 -4.575 1.00 64.24 C ATOM 37 CD1 TRP A 3 -10.086 -3.750 -5.085 1.00 11.54 C ATOM 38 CD2 TRP A 3 -9.003 -3.065 -3.247 1.00 70.12 C ATOM 39 NE1 TRP A 3 -11.026 -3.375 -4.159 1.00 33.22 N ATOM 40 CE2 TRP A 3 -10.387 -2.955 -3.021 1.00 43.43 C ATOM 41 CE3 TRP A 3 -8.121 -2.695 -2.225 1.00 70.54 C ATOM 42 CZ2 TRP A 3 -10.909 -2.483 -1.820 1.00 61.52 C ATOM 43 CZ3 TRP A 3 -8.641 -2.229 -1.033 1.00 12.30 C ATOM 44 CH2 TRP A 3 -10.023 -2.129 -0.838 1.00 14.45 C ATOM 0 H TRP A 3 -6.841 -4.497 -2.976 1.00 11.43 H new ATOM 0 HA TRP A 3 -7.738 -6.018 -5.148 1.00 41.43 H new ATOM 0 HB2 TRP A 3 -6.795 -3.122 -4.975 1.00 14.13 H new ATOM 0 HB3 TRP A 3 -7.667 -3.795 -6.338 1.00 14.13 H new ATOM 0 HD1 TRP A 3 -10.306 -4.127 -6.073 1.00 11.54 H new ATOM 0 HE1 TRP A 3 -12.036 -3.404 -4.295 1.00 33.22 H new ATOM 0 HE3 TRP A 3 -7.053 -2.772 -2.366 1.00 70.54 H new ATOM 0 HZ2 TRP A 3 -11.975 -2.399 -1.668 1.00 61.52 H new ATOM 0 HZ3 TRP A 3 -7.970 -1.937 -0.239 1.00 12.30 H new ATOM 0 HH2 TRP A 3 -10.399 -1.765 0.107 1.00 14.45 H new ATOM 55 N MET A 4 -4.554 -5.445 -5.233 1.00 61.12 N ATOM 56 CA MET A 4 -3.316 -5.781 -5.951 1.00 73.02 C ATOM 57 C MET A 4 -3.345 -7.231 -6.467 1.00 72.24 C ATOM 58 O MET A 4 -3.112 -7.486 -7.652 1.00 14.54 O ATOM 59 CB MET A 4 -2.100 -5.566 -5.041 1.00 23.42 C ATOM 60 CG MET A 4 -1.947 -4.131 -4.558 1.00 3.15 C ATOM 61 SD MET A 4 -1.825 -2.957 -5.919 1.00 74.02 S ATOM 62 CE MET A 4 -1.739 -1.407 -5.025 1.00 1.54 C ATOM 0 H MET A 4 -4.409 -5.103 -4.283 1.00 61.12 H new ATOM 0 HA MET A 4 -3.237 -5.119 -6.813 1.00 73.02 H new ATOM 0 HB2 MET A 4 -2.183 -6.225 -4.176 1.00 23.42 H new ATOM 0 HB3 MET A 4 -1.198 -5.858 -5.579 1.00 23.42 H new ATOM 0 HG2 MET A 4 -2.799 -3.869 -3.931 1.00 3.15 H new ATOM 0 HG3 MET A 4 -1.057 -4.054 -3.934 1.00 3.15 H new ATOM 0 HE1 MET A 4 -1.449 -0.609 -5.708 1.00 1.54 H new ATOM 0 HE2 MET A 4 -2.715 -1.180 -4.596 1.00 1.54 H new ATOM 0 HE3 MET A 4 -1.001 -1.488 -4.227 1.00 1.54 H new ATOM 72 N GLN A 5 -3.647 -8.181 -5.578 1.00 42.21 N ATOM 73 CA GLN A 5 -3.765 -9.591 -5.976 1.00 62.45 C ATOM 74 C GLN A 5 -4.995 -9.810 -6.871 1.00 72.15 C ATOM 75 O GLN A 5 -4.918 -10.502 -7.888 1.00 63.11 O ATOM 76 CB GLN A 5 -3.849 -10.518 -4.748 1.00 3.33 C ATOM 77 CG GLN A 5 -5.117 -10.351 -3.911 1.00 21.15 C ATOM 78 CD GLN A 5 -5.205 -11.337 -2.757 1.00 3.32 C ATOM 79 OE1 GLN A 5 -4.739 -11.062 -1.658 1.00 1.35 O ATOM 80 NE2 GLN A 5 -5.806 -12.487 -2.991 1.00 31.15 N ATOM 0 H GLN A 5 -3.813 -8.005 -4.587 1.00 42.21 H new ATOM 0 HA GLN A 5 -2.866 -9.841 -6.539 1.00 62.45 H new ATOM 0 HB2 GLN A 5 -3.785 -11.553 -5.085 1.00 3.33 H new ATOM 0 HB3 GLN A 5 -2.983 -10.336 -4.112 1.00 3.33 H new ATOM 0 HG2 GLN A 5 -5.154 -9.335 -3.517 1.00 21.15 H new ATOM 0 HG3 GLN A 5 -5.988 -10.475 -4.554 1.00 21.15 H new ATOM 0 HE21 GLN A 5 -6.184 -12.686 -3.917 1.00 31.15 H new ATOM 0 HE22 GLN A 5 -5.893 -13.178 -2.246 1.00 31.15 H new ATOM 89 N ASN A 6 -6.128 -9.209 -6.487 1.00 41.44 N ATOM 90 CA ASN A 6 -7.385 -9.375 -7.238 1.00 65.10 C ATOM 91 C ASN A 6 -7.238 -8.892 -8.695 1.00 5.24 C ATOM 92 O ASN A 6 -7.709 -9.541 -9.628 1.00 52.41 O ATOM 93 CB ASN A 6 -8.527 -8.621 -6.528 1.00 53.21 C ATOM 94 CG ASN A 6 -9.908 -8.943 -7.089 1.00 11.44 C ATOM 95 OD1 ASN A 6 -10.075 -9.209 -8.272 1.00 41.44 O ATOM 96 ND2 ASN A 6 -10.914 -8.937 -6.237 1.00 65.00 N ATOM 0 H ASN A 6 -6.204 -8.607 -5.667 1.00 41.44 H new ATOM 0 HA ASN A 6 -7.626 -10.438 -7.267 1.00 65.10 H new ATOM 0 HB2 ASN A 6 -8.509 -8.866 -5.466 1.00 53.21 H new ATOM 0 HB3 ASN A 6 -8.351 -7.549 -6.611 1.00 53.21 H new ATOM 0 HD21 ASN A 6 -11.856 -9.157 -6.559 1.00 65.00 H new ATOM 0 HD22 ASN A 6 -10.750 -8.712 -5.256 1.00 65.00 H new ATOM 103 N LEU A 7 -6.562 -7.763 -8.881 1.00 62.13 N ATOM 104 CA LEU A 7 -6.384 -7.174 -10.214 1.00 52.22 C ATOM 105 C LEU A 7 -5.241 -7.842 -11.000 1.00 2.32 C ATOM 106 O LEU A 7 -5.267 -7.864 -12.228 1.00 1.04 O ATOM 107 CB LEU A 7 -6.159 -5.655 -10.103 1.00 2.22 C ATOM 108 CG LEU A 7 -7.436 -4.801 -9.943 1.00 25.01 C ATOM 109 CD1 LEU A 7 -8.301 -5.286 -8.783 1.00 15.00 C ATOM 110 CD2 LEU A 7 -7.078 -3.327 -9.761 1.00 33.33 C ATOM 0 H LEU A 7 -6.126 -7.233 -8.127 1.00 62.13 H new ATOM 0 HA LEU A 7 -7.301 -7.355 -10.775 1.00 52.22 H new ATOM 0 HB2 LEU A 7 -5.507 -5.464 -9.251 1.00 2.22 H new ATOM 0 HB3 LEU A 7 -5.628 -5.319 -10.993 1.00 2.22 H new ATOM 0 HG LEU A 7 -8.019 -4.912 -10.857 1.00 25.01 H new ATOM 0 HD11 LEU A 7 -9.189 -4.659 -8.704 1.00 15.00 H new ATOM 0 HD12 LEU A 7 -8.601 -6.319 -8.960 1.00 15.00 H new ATOM 0 HD13 LEU A 7 -7.732 -5.227 -7.855 1.00 15.00 H new ATOM 0 HD21 LEU A 7 -7.991 -2.742 -9.650 1.00 33.33 H new ATOM 0 HD22 LEU A 7 -6.461 -3.210 -8.870 1.00 33.33 H new ATOM 0 HD23 LEU A 7 -6.526 -2.976 -10.633 1.00 33.33 H new ATOM 122 N LYS A 8 -4.237 -8.372 -10.296 1.00 42.34 N ATOM 123 CA LYS A 8 -3.172 -9.165 -10.940 1.00 24.32 C ATOM 124 C LYS A 8 -3.707 -10.528 -11.420 1.00 63.41 C ATOM 125 O LYS A 8 -3.170 -11.124 -12.356 1.00 63.03 O ATOM 126 CB LYS A 8 -1.987 -9.369 -9.969 1.00 44.30 C ATOM 127 CG LYS A 8 -0.954 -10.402 -10.443 1.00 35.00 C ATOM 128 CD LYS A 8 0.199 -10.581 -9.446 1.00 71.30 C ATOM 129 CE LYS A 8 1.427 -9.750 -9.815 1.00 62.44 C ATOM 130 NZ LYS A 8 2.138 -10.297 -11.003 1.00 55.11 N ATOM 0 H LYS A 8 -4.134 -8.271 -9.286 1.00 42.34 H new ATOM 0 HA LYS A 8 -2.823 -8.611 -11.811 1.00 24.32 H new ATOM 0 HB2 LYS A 8 -1.486 -8.413 -9.820 1.00 44.30 H new ATOM 0 HB3 LYS A 8 -2.376 -9.680 -8.999 1.00 44.30 H new ATOM 0 HG2 LYS A 8 -1.449 -11.361 -10.597 1.00 35.00 H new ATOM 0 HG3 LYS A 8 -0.551 -10.092 -11.407 1.00 35.00 H new ATOM 0 HD2 LYS A 8 -0.140 -10.299 -8.449 1.00 71.30 H new ATOM 0 HD3 LYS A 8 0.477 -11.634 -9.402 1.00 71.30 H new ATOM 0 HE2 LYS A 8 1.122 -8.723 -10.017 1.00 62.44 H new ATOM 0 HE3 LYS A 8 2.111 -9.718 -8.967 1.00 62.44 H new ATOM 0 HZ1 LYS A 8 3.163 -10.292 -10.827 1.00 55.11 H new ATOM 0 HZ2 LYS A 8 1.822 -11.272 -11.178 1.00 55.11 H new ATOM 0 HZ3 LYS A 8 1.927 -9.710 -11.835 1.00 55.11 H new ATOM 144 N ASN A 9 -4.766 -11.009 -10.767 1.00 21.14 N ATOM 145 CA ASN A 9 -5.392 -12.294 -11.112 1.00 42.33 C ATOM 146 C ASN A 9 -5.885 -12.307 -12.574 1.00 60.21 C ATOM 147 O ASN A 9 -5.672 -13.277 -13.305 1.00 2.02 O ATOM 148 CB ASN A 9 -6.557 -12.570 -10.145 1.00 31.15 C ATOM 149 CG ASN A 9 -7.096 -13.993 -10.234 1.00 5.20 C ATOM 150 OD1 ASN A 9 -7.089 -14.620 -11.286 1.00 62.32 O ATOM 151 ND2 ASN A 9 -7.579 -14.514 -9.125 1.00 45.44 N ATOM 0 H ASN A 9 -5.214 -10.525 -9.989 1.00 21.14 H new ATOM 0 HA ASN A 9 -4.645 -13.082 -11.015 1.00 42.33 H new ATOM 0 HB2 ASN A 9 -6.225 -12.379 -9.125 1.00 31.15 H new ATOM 0 HB3 ASN A 9 -7.366 -11.870 -10.354 1.00 31.15 H new ATOM 0 HD21 ASN A 9 -7.959 -15.461 -9.129 1.00 45.44 H new ATOM 0 HD22 ASN A 9 -7.573 -13.971 -8.262 1.00 45.44 H new ATOM 158 N TYR A 10 -6.536 -11.224 -12.997 1.00 74.25 N ATOM 159 CA TYR A 10 -7.037 -11.115 -14.374 1.00 62.52 C ATOM 160 C TYR A 10 -6.208 -10.105 -15.183 1.00 10.51 C ATOM 161 O TYR A 10 -5.426 -9.339 -14.623 1.00 4.43 O ATOM 162 CB TYR A 10 -8.521 -10.705 -14.384 1.00 2.44 C ATOM 163 CG TYR A 10 -8.789 -9.263 -13.965 1.00 42.04 C ATOM 164 CD1 TYR A 10 -8.947 -8.916 -12.626 1.00 24.42 C ATOM 165 CD2 TYR A 10 -8.896 -8.251 -14.917 1.00 11.23 C ATOM 166 CE1 TYR A 10 -9.200 -7.607 -12.252 1.00 74.51 C ATOM 167 CE2 TYR A 10 -9.146 -6.943 -14.549 1.00 3.14 C ATOM 168 CZ TYR A 10 -9.298 -6.625 -13.217 1.00 2.34 C ATOM 169 OH TYR A 10 -9.552 -5.319 -12.851 1.00 61.55 O ATOM 0 H TYR A 10 -6.730 -10.411 -12.412 1.00 74.25 H new ATOM 0 HA TYR A 10 -6.941 -12.095 -14.841 1.00 62.52 H new ATOM 0 HB2 TYR A 10 -8.919 -10.857 -15.387 1.00 2.44 H new ATOM 0 HB3 TYR A 10 -9.072 -11.370 -13.719 1.00 2.44 H new ATOM 0 HD1 TYR A 10 -8.871 -9.680 -11.867 1.00 24.42 H new ATOM 0 HD2 TYR A 10 -8.781 -8.494 -15.963 1.00 11.23 H new ATOM 0 HE1 TYR A 10 -9.320 -7.355 -11.209 1.00 74.51 H new ATOM 0 HE2 TYR A 10 -9.222 -6.173 -15.302 1.00 3.14 H new ATOM 0 HH TYR A 10 -9.588 -4.756 -13.652 1.00 61.55 H new ATOM 179 N GLN A 11 -6.381 -10.103 -16.503 1.00 53.22 N ATOM 180 CA GLN A 11 -5.683 -9.142 -17.367 1.00 21.51 C ATOM 181 C GLN A 11 -6.633 -8.059 -17.906 1.00 44.20 C ATOM 182 O GLN A 11 -6.693 -6.961 -17.354 1.00 72.40 O ATOM 183 CB GLN A 11 -4.967 -9.870 -18.516 1.00 70.11 C ATOM 184 CG GLN A 11 -3.799 -10.740 -18.052 1.00 2.31 C ATOM 185 CD GLN A 11 -2.694 -9.938 -17.375 1.00 42.25 C ATOM 186 OE1 GLN A 11 -2.782 -9.775 -16.067 1.00 30.14 O flip ATOM 187 NE2 GLN A 11 -1.768 -9.461 -18.022 1.00 75.01 N flip ATOM 0 H GLN A 11 -6.994 -10.750 -16.999 1.00 53.22 H new ATOM 0 HA GLN A 11 -4.934 -8.636 -16.758 1.00 21.51 H new ATOM 0 HB2 GLN A 11 -5.687 -10.494 -19.045 1.00 70.11 H new ATOM 0 HB3 GLN A 11 -4.600 -9.133 -19.230 1.00 70.11 H new ATOM 0 HG2 GLN A 11 -4.169 -11.496 -17.359 1.00 2.31 H new ATOM 0 HG3 GLN A 11 -3.384 -11.269 -18.910 1.00 2.31 H new ATOM 0 HE21 GLN A 11 -1.725 -9.602 -19.031 1.00 75.01 H new ATOM 0 HE22 GLN A 11 -1.041 -8.923 -17.551 1.00 75.01 H new ATOM 196 N HIS A 12 -7.386 -8.374 -18.968 1.00 41.31 N ATOM 197 CA HIS A 12 -8.278 -7.391 -19.613 1.00 74.04 C ATOM 198 C HIS A 12 -7.499 -6.130 -20.024 1.00 70.05 C ATOM 199 O HIS A 12 -7.985 -5.009 -19.855 1.00 12.20 O ATOM 200 CB HIS A 12 -9.433 -7.012 -18.670 1.00 41.22 C ATOM 201 CG HIS A 12 -10.393 -8.130 -18.401 1.00 12.13 C ATOM 202 ND1 HIS A 12 -10.019 -9.319 -17.819 1.00 42.25 N ATOM 203 CD2 HIS A 12 -11.722 -8.234 -18.635 1.00 34.12 C ATOM 204 CE1 HIS A 12 -11.070 -10.102 -17.704 1.00 71.02 C ATOM 205 NE2 HIS A 12 -12.117 -9.472 -18.191 1.00 25.24 N ATOM 0 H HIS A 12 -7.398 -9.298 -19.400 1.00 41.31 H new ATOM 0 HA HIS A 12 -8.691 -7.850 -20.511 1.00 74.04 H new ATOM 0 HB2 HIS A 12 -9.017 -6.668 -17.723 1.00 41.22 H new ATOM 0 HB3 HIS A 12 -9.980 -6.173 -19.101 1.00 41.22 H new ATOM 0 HD2 HIS A 12 -12.354 -7.484 -19.087 1.00 34.12 H new ATOM 0 HE1 HIS A 12 -11.073 -11.096 -17.281 1.00 71.02 H new ATOM 0 HE2 HIS A 12 -13.067 -9.842 -18.232 1.00 25.24 H new ATOM 214 N LEU A 13 -6.306 -6.335 -20.591 1.00 10.44 N ATOM 215 CA LEU A 13 -5.359 -5.245 -20.861 1.00 23.11 C ATOM 216 C LEU A 13 -4.841 -4.672 -19.529 1.00 35.05 C ATOM 217 O LEU A 13 -5.146 -3.541 -19.148 1.00 23.41 O ATOM 218 CB LEU A 13 -5.999 -4.149 -21.736 1.00 2.30 C ATOM 219 CG LEU A 13 -6.544 -4.630 -23.095 1.00 71.14 C ATOM 220 CD1 LEU A 13 -7.271 -3.501 -23.820 1.00 4.20 C ATOM 221 CD2 LEU A 13 -5.418 -5.190 -23.963 1.00 62.30 C ATOM 0 H LEU A 13 -5.970 -7.255 -20.875 1.00 10.44 H new ATOM 0 HA LEU A 13 -4.514 -5.643 -21.423 1.00 23.11 H new ATOM 0 HB2 LEU A 13 -6.815 -3.690 -21.177 1.00 2.30 H new ATOM 0 HB3 LEU A 13 -5.258 -3.370 -21.915 1.00 2.30 H new ATOM 0 HG LEU A 13 -7.260 -5.430 -22.907 1.00 71.14 H new ATOM 0 HD11 LEU A 13 -7.646 -3.865 -24.776 1.00 4.20 H new ATOM 0 HD12 LEU A 13 -8.106 -3.155 -23.210 1.00 4.20 H new ATOM 0 HD13 LEU A 13 -6.581 -2.675 -23.992 1.00 4.20 H new ATOM 0 HD21 LEU A 13 -5.826 -5.523 -24.917 1.00 62.30 H new ATOM 0 HD22 LEU A 13 -4.673 -4.414 -24.138 1.00 62.30 H new ATOM 0 HD23 LEU A 13 -4.951 -6.033 -23.454 1.00 62.30 H new ATOM 233 N ARG A 14 -4.063 -5.490 -18.825 1.00 43.23 N ATOM 234 CA ARG A 14 -3.627 -5.191 -17.456 1.00 40.22 C ATOM 235 C ARG A 14 -2.463 -4.192 -17.422 1.00 1.14 C ATOM 236 O ARG A 14 -1.433 -4.394 -18.063 1.00 50.11 O ATOM 237 CB ARG A 14 -3.215 -6.499 -16.764 1.00 4.03 C ATOM 238 CG ARG A 14 -2.777 -6.365 -15.302 1.00 64.22 C ATOM 239 CD ARG A 14 -3.933 -6.033 -14.363 1.00 51.31 C ATOM 240 NE ARG A 14 -4.353 -4.638 -14.461 1.00 73.42 N ATOM 241 CZ ARG A 14 -5.516 -4.198 -14.071 1.00 74.33 C ATOM 242 NH1 ARG A 14 -6.385 -5.008 -13.544 1.00 42.43 N ATOM 243 NH2 ARG A 14 -5.801 -2.945 -14.194 1.00 75.11 N ATOM 0 H ARG A 14 -3.715 -6.379 -19.184 1.00 43.23 H new ATOM 0 HA ARG A 14 -4.462 -4.729 -16.930 1.00 40.22 H new ATOM 0 HB2 ARG A 14 -4.054 -7.194 -16.811 1.00 4.03 H new ATOM 0 HB3 ARG A 14 -2.398 -6.947 -17.330 1.00 4.03 H new ATOM 0 HG2 ARG A 14 -2.311 -7.297 -14.981 1.00 64.22 H new ATOM 0 HG3 ARG A 14 -2.018 -5.586 -15.225 1.00 64.22 H new ATOM 0 HD2 ARG A 14 -4.780 -6.680 -14.592 1.00 51.31 H new ATOM 0 HD3 ARG A 14 -3.636 -6.248 -13.337 1.00 51.31 H new ATOM 0 HE ARG A 14 -3.696 -3.967 -14.859 1.00 73.42 H new ATOM 0 HH11 ARG A 14 -6.159 -5.996 -13.433 1.00 42.43 H new ATOM 0 HH12 ARG A 14 -7.293 -4.655 -13.241 1.00 42.43 H new ATOM 0 HH21 ARG A 14 -5.117 -2.303 -14.595 1.00 75.11 H new ATOM 0 HH22 ARG A 14 -6.710 -2.597 -13.890 1.00 75.11 H new ATOM 257 N ASP A 15 -2.643 -3.112 -16.672 1.00 31.20 N ATOM 258 CA ASP A 15 -1.575 -2.136 -16.447 1.00 3.31 C ATOM 259 C ASP A 15 -0.444 -2.747 -15.588 1.00 13.34 C ATOM 260 O ASP A 15 -0.703 -3.573 -14.710 1.00 35.44 O ATOM 261 CB ASP A 15 -2.150 -0.902 -15.747 1.00 21.22 C ATOM 262 CG ASP A 15 -3.465 -0.454 -16.361 1.00 33.44 C ATOM 263 OD1 ASP A 15 -4.510 -1.070 -16.049 1.00 55.14 O ATOM 264 OD2 ASP A 15 -3.466 0.517 -17.152 1.00 24.33 O ATOM 0 H ASP A 15 -3.522 -2.886 -16.206 1.00 31.20 H new ATOM 0 HA ASP A 15 -1.156 -1.849 -17.411 1.00 3.31 H new ATOM 0 HB2 ASP A 15 -2.301 -1.123 -14.690 1.00 21.22 H new ATOM 0 HB3 ASP A 15 -1.429 -0.086 -15.802 1.00 21.22 H new ATOM 269 N PRO A 16 0.826 -2.349 -15.819 1.00 45.24 N ATOM 270 CA PRO A 16 1.979 -2.837 -15.029 1.00 42.30 C ATOM 271 C PRO A 16 2.007 -2.295 -13.583 1.00 5.25 C ATOM 272 O PRO A 16 2.968 -2.521 -12.842 1.00 51.00 O ATOM 273 CB PRO A 16 3.206 -2.329 -15.817 1.00 13.34 C ATOM 274 CG PRO A 16 2.670 -1.866 -17.137 1.00 24.32 C ATOM 275 CD PRO A 16 1.257 -1.422 -16.876 1.00 54.54 C ATOM 0 HA PRO A 16 1.943 -3.920 -14.913 1.00 42.30 H new ATOM 0 HB2 PRO A 16 3.703 -1.516 -15.288 1.00 13.34 H new ATOM 0 HB3 PRO A 16 3.943 -3.121 -15.949 1.00 13.34 H new ATOM 0 HG2 PRO A 16 3.269 -1.048 -17.536 1.00 24.32 H new ATOM 0 HG3 PRO A 16 2.697 -2.670 -17.873 1.00 24.32 H new ATOM 0 HD2 PRO A 16 1.211 -0.383 -16.549 1.00 54.54 H new ATOM 0 HD3 PRO A 16 0.634 -1.504 -17.767 1.00 54.54 H new ATOM 283 N SER A 17 0.940 -1.605 -13.183 1.00 73.03 N ATOM 284 CA SER A 17 0.867 -0.965 -11.863 1.00 31.12 C ATOM 285 C SER A 17 0.807 -1.997 -10.729 1.00 63.21 C ATOM 286 O SER A 17 1.651 -1.991 -9.826 1.00 73.52 O ATOM 287 CB SER A 17 -0.350 -0.029 -11.796 1.00 3.12 C ATOM 288 OG SER A 17 -1.534 -0.686 -12.222 1.00 31.11 O ATOM 0 H SER A 17 0.107 -1.472 -13.756 1.00 73.03 H new ATOM 0 HA SER A 17 1.778 -0.383 -11.728 1.00 31.12 H new ATOM 0 HB2 SER A 17 -0.479 0.330 -10.775 1.00 3.12 H new ATOM 0 HB3 SER A 17 -0.173 0.846 -12.421 1.00 3.12 H new ATOM 0 HG SER A 17 -2.291 -0.066 -12.166 1.00 31.11 H new ATOM 294 N GLU A 18 -0.184 -2.887 -10.781 1.00 31.42 N ATOM 295 CA GLU A 18 -0.324 -3.953 -9.776 1.00 35.52 C ATOM 296 C GLU A 18 0.940 -4.822 -9.708 1.00 52.34 C ATOM 297 O GLU A 18 1.364 -5.244 -8.630 1.00 42.44 O ATOM 298 CB GLU A 18 -1.551 -4.834 -10.074 1.00 14.13 C ATOM 299 CG GLU A 18 -2.898 -4.150 -9.835 1.00 22.24 C ATOM 300 CD GLU A 18 -3.136 -2.952 -10.742 1.00 52.31 C ATOM 301 OE1 GLU A 18 -3.052 -3.112 -11.975 1.00 55.32 O ATOM 302 OE2 GLU A 18 -3.410 -1.843 -10.230 1.00 45.10 O ATOM 0 H GLU A 18 -0.903 -2.895 -11.505 1.00 31.42 H new ATOM 0 HA GLU A 18 -0.465 -3.472 -8.808 1.00 35.52 H new ATOM 0 HB2 GLU A 18 -1.504 -5.161 -11.113 1.00 14.13 H new ATOM 0 HB3 GLU A 18 -1.498 -5.730 -9.455 1.00 14.13 H new ATOM 0 HG2 GLU A 18 -3.697 -4.875 -9.986 1.00 22.24 H new ATOM 0 HG3 GLU A 18 -2.954 -3.826 -8.796 1.00 22.24 H new ATOM 309 N TYR A 19 1.543 -5.080 -10.869 1.00 73.51 N ATOM 310 CA TYR A 19 2.797 -5.838 -10.939 1.00 30.02 C ATOM 311 C TYR A 19 3.884 -5.176 -10.080 1.00 14.25 C ATOM 312 O TYR A 19 4.487 -5.818 -9.223 1.00 1.54 O ATOM 313 CB TYR A 19 3.281 -5.949 -12.393 1.00 71.23 C ATOM 314 CG TYR A 19 2.364 -6.760 -13.289 1.00 13.42 C ATOM 315 CD1 TYR A 19 1.316 -6.159 -13.972 1.00 24.12 C ATOM 316 CD2 TYR A 19 2.545 -8.129 -13.445 1.00 64.31 C ATOM 317 CE1 TYR A 19 0.475 -6.897 -14.780 1.00 65.35 C ATOM 318 CE2 TYR A 19 1.709 -8.874 -14.254 1.00 3.21 C ATOM 319 CZ TYR A 19 0.675 -8.254 -14.917 1.00 42.24 C ATOM 320 OH TYR A 19 -0.166 -8.998 -15.712 1.00 13.55 O ATOM 0 H TYR A 19 1.185 -4.776 -11.775 1.00 73.51 H new ATOM 0 HA TYR A 19 2.605 -6.838 -10.551 1.00 30.02 H new ATOM 0 HB2 TYR A 19 3.384 -4.946 -12.808 1.00 71.23 H new ATOM 0 HB3 TYR A 19 4.273 -6.401 -12.401 1.00 71.23 H new ATOM 0 HD1 TYR A 19 1.156 -5.096 -13.870 1.00 24.12 H new ATOM 0 HD2 TYR A 19 3.354 -8.619 -12.924 1.00 64.31 H new ATOM 0 HE1 TYR A 19 -0.337 -6.413 -15.303 1.00 65.35 H new ATOM 0 HE2 TYR A 19 1.866 -9.937 -14.365 1.00 3.21 H new ATOM 0 HH TYR A 19 -1.067 -8.998 -15.326 1.00 13.55 H new ATOM 330 N MET A 20 4.102 -3.879 -10.304 1.00 23.00 N ATOM 331 CA MET A 20 5.118 -3.113 -9.567 1.00 33.32 C ATOM 332 C MET A 20 4.821 -3.085 -8.054 1.00 30.21 C ATOM 333 O MET A 20 5.736 -3.103 -7.230 1.00 73.34 O ATOM 334 CB MET A 20 5.197 -1.681 -10.132 1.00 23.51 C ATOM 335 CG MET A 20 6.374 -0.858 -9.612 1.00 43.42 C ATOM 336 SD MET A 20 6.206 -0.384 -7.880 1.00 64.41 S ATOM 337 CE MET A 20 7.808 0.362 -7.583 1.00 34.40 C ATOM 0 H MET A 20 3.587 -3.331 -10.993 1.00 23.00 H new ATOM 0 HA MET A 20 6.081 -3.606 -9.698 1.00 33.32 H new ATOM 0 HB2 MET A 20 5.261 -1.736 -11.219 1.00 23.51 H new ATOM 0 HB3 MET A 20 4.271 -1.158 -9.893 1.00 23.51 H new ATOM 0 HG2 MET A 20 7.292 -1.432 -9.737 1.00 43.42 H new ATOM 0 HG3 MET A 20 6.475 0.042 -10.219 1.00 43.42 H new ATOM 0 HE1 MET A 20 7.863 0.708 -6.551 1.00 34.40 H new ATOM 0 HE2 MET A 20 8.591 -0.375 -7.761 1.00 34.40 H new ATOM 0 HE3 MET A 20 7.946 1.208 -8.257 1.00 34.40 H new ATOM 347 N SER A 21 3.538 -3.054 -7.693 1.00 20.33 N ATOM 348 CA SER A 21 3.133 -3.040 -6.277 1.00 30.14 C ATOM 349 C SER A 21 3.360 -4.404 -5.605 1.00 22.24 C ATOM 350 O SER A 21 3.489 -4.491 -4.380 1.00 61.35 O ATOM 351 CB SER A 21 1.659 -2.641 -6.139 1.00 5.23 C ATOM 352 OG SER A 21 1.272 -2.558 -4.773 1.00 1.24 O ATOM 0 H SER A 21 2.761 -3.038 -8.354 1.00 20.33 H new ATOM 0 HA SER A 21 3.758 -2.302 -5.773 1.00 30.14 H new ATOM 0 HB2 SER A 21 1.493 -1.680 -6.625 1.00 5.23 H new ATOM 0 HB3 SER A 21 1.033 -3.370 -6.653 1.00 5.23 H new ATOM 0 HG SER A 21 1.427 -1.648 -4.444 1.00 1.24 H new ATOM 358 N GLN A 22 3.380 -5.469 -6.404 1.00 53.30 N ATOM 359 CA GLN A 22 3.644 -6.819 -5.888 1.00 72.24 C ATOM 360 C GLN A 22 5.150 -7.137 -5.862 1.00 31.51 C ATOM 361 O GLN A 22 5.739 -7.298 -4.792 1.00 0.34 O ATOM 362 CB GLN A 22 2.904 -7.869 -6.731 1.00 72.21 C ATOM 363 CG GLN A 22 1.383 -7.793 -6.629 1.00 74.53 C ATOM 364 CD GLN A 22 0.860 -8.128 -5.240 1.00 62.25 C ATOM 365 OE1 GLN A 22 0.592 -9.283 -4.925 1.00 2.40 O ATOM 366 NE2 GLN A 22 0.710 -7.124 -4.401 1.00 63.33 N ATOM 0 H GLN A 22 3.217 -5.428 -7.410 1.00 53.30 H new ATOM 0 HA GLN A 22 3.276 -6.853 -4.863 1.00 72.24 H new ATOM 0 HB2 GLN A 22 3.193 -7.750 -7.775 1.00 72.21 H new ATOM 0 HB3 GLN A 22 3.229 -8.862 -6.421 1.00 72.21 H new ATOM 0 HG2 GLN A 22 1.056 -6.789 -6.901 1.00 74.53 H new ATOM 0 HG3 GLN A 22 0.942 -8.479 -7.352 1.00 74.53 H new ATOM 0 HE21 GLN A 22 0.942 -6.175 -4.694 1.00 63.33 H new ATOM 0 HE22 GLN A 22 0.362 -7.295 -3.458 1.00 63.33 H new ATOM 375 N VAL A 23 5.770 -7.214 -7.042 1.00 52.03 N ATOM 376 CA VAL A 23 7.182 -7.609 -7.155 1.00 21.22 C ATOM 377 C VAL A 23 8.139 -6.417 -6.957 1.00 72.54 C ATOM 378 O VAL A 23 7.984 -5.364 -7.574 1.00 73.24 O ATOM 379 CB VAL A 23 7.475 -8.297 -8.519 1.00 34.12 C ATOM 380 CG1 VAL A 23 7.127 -7.382 -9.694 1.00 1.43 C ATOM 381 CG2 VAL A 23 8.933 -8.748 -8.595 1.00 71.34 C ATOM 0 H VAL A 23 5.320 -7.009 -7.934 1.00 52.03 H new ATOM 0 HA VAL A 23 7.362 -8.325 -6.353 1.00 21.22 H new ATOM 0 HB VAL A 23 6.838 -9.179 -8.589 1.00 34.12 H new ATOM 0 HG11 VAL A 23 7.344 -7.895 -10.631 1.00 1.43 H new ATOM 0 HG12 VAL A 23 6.068 -7.128 -9.656 1.00 1.43 H new ATOM 0 HG13 VAL A 23 7.721 -6.470 -9.633 1.00 1.43 H new ATOM 0 HG21 VAL A 23 9.116 -9.227 -9.557 1.00 71.34 H new ATOM 0 HG22 VAL A 23 9.587 -7.883 -8.490 1.00 71.34 H new ATOM 0 HG23 VAL A 23 9.137 -9.457 -7.793 1.00 71.34 H new ATOM 391 N TYR A 24 9.145 -6.605 -6.103 1.00 33.20 N ATOM 392 CA TYR A 24 10.118 -5.546 -5.781 1.00 35.10 C ATOM 393 C TYR A 24 11.407 -5.668 -6.617 1.00 21.22 C ATOM 394 O TYR A 24 12.484 -5.235 -6.195 1.00 4.44 O ATOM 395 CB TYR A 24 10.447 -5.585 -4.281 1.00 74.22 C ATOM 396 CG TYR A 24 10.861 -6.955 -3.765 1.00 74.42 C ATOM 397 CD1 TYR A 24 9.906 -7.866 -3.318 1.00 35.32 C ATOM 398 CD2 TYR A 24 12.198 -7.336 -3.722 1.00 25.53 C ATOM 399 CE1 TYR A 24 10.271 -9.110 -2.844 1.00 43.23 C ATOM 400 CE2 TYR A 24 12.569 -8.580 -3.249 1.00 13.23 C ATOM 401 CZ TYR A 24 11.603 -9.462 -2.811 1.00 54.42 C ATOM 402 OH TYR A 24 11.970 -10.702 -2.341 1.00 5.41 O ATOM 0 H TYR A 24 9.313 -7.485 -5.616 1.00 33.20 H new ATOM 0 HA TYR A 24 9.664 -4.588 -6.032 1.00 35.10 H new ATOM 0 HB2 TYR A 24 11.250 -4.876 -4.079 1.00 74.22 H new ATOM 0 HB3 TYR A 24 9.575 -5.247 -3.721 1.00 74.22 H new ATOM 0 HD1 TYR A 24 8.861 -7.594 -3.343 1.00 35.32 H new ATOM 0 HD2 TYR A 24 12.958 -6.649 -4.064 1.00 25.53 H new ATOM 0 HE1 TYR A 24 9.517 -9.803 -2.501 1.00 43.23 H new ATOM 0 HE2 TYR A 24 13.611 -8.861 -3.222 1.00 13.23 H new ATOM 0 HH TYR A 24 12.449 -10.601 -1.492 1.00 5.41 H new ATOM 412 N GLY A 25 11.287 -6.233 -7.814 1.00 22.21 N ATOM 413 CA GLY A 25 12.443 -6.388 -8.694 1.00 3.31 C ATOM 414 C GLY A 25 12.747 -5.130 -9.509 1.00 43.21 C ATOM 415 O GLY A 25 12.073 -4.109 -9.369 1.00 64.03 O ATOM 0 H GLY A 25 10.410 -6.589 -8.196 1.00 22.21 H new ATOM 0 HA2 GLY A 25 13.316 -6.646 -8.095 1.00 3.31 H new ATOM 0 HA3 GLY A 25 12.266 -7.221 -9.374 1.00 3.31 H new ATOM 419 N ASP A 26 13.773 -5.202 -10.355 1.00 33.02 N ATOM 420 CA ASP A 26 14.148 -4.086 -11.236 1.00 52.24 C ATOM 421 C ASP A 26 13.024 -3.751 -12.239 1.00 12.33 C ATOM 422 O ASP A 26 12.122 -4.561 -12.452 1.00 40.12 O ATOM 423 CB ASP A 26 15.434 -4.449 -11.984 1.00 32.00 C ATOM 424 CG ASP A 26 16.592 -4.694 -11.035 1.00 1.24 C ATOM 425 OD1 ASP A 26 16.523 -5.662 -10.253 1.00 25.34 O ATOM 426 OD2 ASP A 26 17.563 -3.906 -11.049 1.00 51.35 O ATOM 0 H ASP A 26 14.366 -6.026 -10.453 1.00 33.02 H new ATOM 0 HA ASP A 26 14.311 -3.200 -10.623 1.00 52.24 H new ATOM 0 HB2 ASP A 26 15.264 -5.341 -12.586 1.00 32.00 H new ATOM 0 HB3 ASP A 26 15.693 -3.644 -12.672 1.00 32.00 H new ATOM 431 N PRO A 27 13.063 -2.554 -12.873 1.00 25.14 N ATOM 432 CA PRO A 27 12.063 -2.146 -13.882 1.00 24.21 C ATOM 433 C PRO A 27 11.667 -3.275 -14.852 1.00 21.41 C ATOM 434 O PRO A 27 10.482 -3.528 -15.082 1.00 1.20 O ATOM 435 CB PRO A 27 12.790 -1.021 -14.624 1.00 52.50 C ATOM 436 CG PRO A 27 13.637 -0.379 -13.576 1.00 73.42 C ATOM 437 CD PRO A 27 14.077 -1.494 -12.654 1.00 50.21 C ATOM 0 HA PRO A 27 11.117 -1.856 -13.425 1.00 24.21 H new ATOM 0 HB2 PRO A 27 13.396 -1.410 -15.442 1.00 52.50 H new ATOM 0 HB3 PRO A 27 12.086 -0.310 -15.058 1.00 52.50 H new ATOM 0 HG2 PRO A 27 14.497 0.121 -14.022 1.00 73.42 H new ATOM 0 HG3 PRO A 27 13.075 0.379 -13.031 1.00 73.42 H new ATOM 0 HD2 PRO A 27 15.080 -1.843 -12.899 1.00 50.21 H new ATOM 0 HD3 PRO A 27 14.098 -1.169 -11.614 1.00 50.21 H new ATOM 445 N LEU A 28 12.671 -3.971 -15.388 1.00 14.20 N ATOM 446 CA LEU A 28 12.449 -5.059 -16.354 1.00 24.45 C ATOM 447 C LEU A 28 11.553 -6.172 -15.779 1.00 23.24 C ATOM 448 O LEU A 28 10.814 -6.817 -16.516 1.00 53.43 O ATOM 449 CB LEU A 28 13.790 -5.664 -16.808 1.00 12.55 C ATOM 450 CG LEU A 28 14.683 -4.754 -17.680 1.00 52.13 C ATOM 451 CD1 LEU A 28 15.211 -3.558 -16.889 1.00 61.52 C ATOM 452 CD2 LEU A 28 15.839 -5.551 -18.285 1.00 73.02 C ATOM 0 H LEU A 28 13.653 -3.802 -15.170 1.00 14.20 H new ATOM 0 HA LEU A 28 11.936 -4.621 -17.210 1.00 24.45 H new ATOM 0 HB2 LEU A 28 14.355 -5.952 -15.921 1.00 12.55 H new ATOM 0 HB3 LEU A 28 13.584 -6.578 -17.365 1.00 12.55 H new ATOM 0 HG LEU A 28 14.065 -4.367 -18.490 1.00 52.13 H new ATOM 0 HD11 LEU A 28 15.835 -2.941 -17.536 1.00 61.52 H new ATOM 0 HD12 LEU A 28 14.373 -2.966 -16.521 1.00 61.52 H new ATOM 0 HD13 LEU A 28 15.803 -3.913 -16.045 1.00 61.52 H new ATOM 0 HD21 LEU A 28 16.456 -4.891 -18.895 1.00 73.02 H new ATOM 0 HD22 LEU A 28 16.445 -5.977 -17.485 1.00 73.02 H new ATOM 0 HD23 LEU A 28 15.442 -6.354 -18.906 1.00 73.02 H new ATOM 464 N ALA A 29 11.615 -6.379 -14.465 1.00 63.32 N ATOM 465 CA ALA A 29 10.842 -7.443 -13.806 1.00 34.43 C ATOM 466 C ALA A 29 9.335 -7.331 -14.104 1.00 32.45 C ATOM 467 O ALA A 29 8.787 -8.105 -14.888 1.00 25.44 O ATOM 468 CB ALA A 29 11.088 -7.420 -12.298 1.00 43.32 C ATOM 0 H ALA A 29 12.192 -5.826 -13.831 1.00 63.32 H new ATOM 0 HA ALA A 29 11.185 -8.395 -14.211 1.00 34.43 H new ATOM 0 HB1 ALA A 29 10.510 -8.213 -11.823 1.00 43.32 H new ATOM 0 HB2 ALA A 29 12.148 -7.576 -12.100 1.00 43.32 H new ATOM 0 HB3 ALA A 29 10.781 -6.455 -11.894 1.00 43.32 H new ATOM 474 N TYR A 30 8.674 -6.355 -13.489 1.00 52.24 N ATOM 475 CA TYR A 30 7.231 -6.158 -13.682 1.00 62.52 C ATOM 476 C TYR A 30 6.889 -5.717 -15.118 1.00 63.24 C ATOM 477 O TYR A 30 5.839 -6.085 -15.655 1.00 33.34 O ATOM 478 CB TYR A 30 6.682 -5.152 -12.657 1.00 55.21 C ATOM 479 CG TYR A 30 7.555 -3.930 -12.439 1.00 41.30 C ATOM 480 CD1 TYR A 30 7.463 -2.818 -13.271 1.00 54.01 C ATOM 481 CD2 TYR A 30 8.471 -3.888 -11.389 1.00 74.31 C ATOM 482 CE1 TYR A 30 8.256 -1.706 -13.064 1.00 20.34 C ATOM 483 CE2 TYR A 30 9.264 -2.781 -11.177 1.00 52.33 C ATOM 484 CZ TYR A 30 9.154 -1.693 -12.016 1.00 0.40 C ATOM 485 OH TYR A 30 9.949 -0.588 -11.807 1.00 4.14 O ATOM 0 H TYR A 30 9.109 -5.687 -12.853 1.00 52.24 H new ATOM 0 HA TYR A 30 6.749 -7.122 -13.522 1.00 62.52 H new ATOM 0 HB2 TYR A 30 5.695 -4.823 -12.983 1.00 55.21 H new ATOM 0 HB3 TYR A 30 6.549 -5.662 -11.703 1.00 55.21 H new ATOM 0 HD1 TYR A 30 6.761 -2.825 -14.091 1.00 54.01 H new ATOM 0 HD2 TYR A 30 8.561 -4.739 -10.730 1.00 74.31 H new ATOM 0 HE1 TYR A 30 8.174 -0.851 -13.719 1.00 20.34 H new ATOM 0 HE2 TYR A 30 9.968 -2.766 -10.358 1.00 52.33 H new ATOM 0 HH TYR A 30 10.524 -0.741 -11.028 1.00 4.14 H new ATOM 495 N LEU A 31 7.779 -4.943 -15.744 1.00 22.01 N ATOM 496 CA LEU A 31 7.563 -4.487 -17.123 1.00 52.21 C ATOM 497 C LEU A 31 7.485 -5.675 -18.096 1.00 11.11 C ATOM 498 O LEU A 31 6.596 -5.738 -18.946 1.00 43.51 O ATOM 499 CB LEU A 31 8.679 -3.523 -17.552 1.00 42.15 C ATOM 500 CG LEU A 31 8.523 -2.912 -18.956 1.00 11.05 C ATOM 501 CD1 LEU A 31 7.232 -2.100 -19.061 1.00 11.41 C ATOM 502 CD2 LEU A 31 9.734 -2.049 -19.304 1.00 53.21 C ATOM 0 H LEU A 31 8.650 -4.620 -15.323 1.00 22.01 H new ATOM 0 HA LEU A 31 6.610 -3.959 -17.154 1.00 52.21 H new ATOM 0 HB2 LEU A 31 8.734 -2.712 -16.826 1.00 42.15 H new ATOM 0 HB3 LEU A 31 9.630 -4.054 -17.509 1.00 42.15 H new ATOM 0 HG LEU A 31 8.465 -3.729 -19.675 1.00 11.05 H new ATOM 0 HD11 LEU A 31 7.147 -1.680 -20.063 1.00 11.41 H new ATOM 0 HD12 LEU A 31 6.378 -2.748 -18.866 1.00 11.41 H new ATOM 0 HD13 LEU A 31 7.250 -1.292 -18.329 1.00 11.41 H new ATOM 0 HD21 LEU A 31 9.605 -1.626 -20.300 1.00 53.21 H new ATOM 0 HD22 LEU A 31 9.827 -1.243 -18.577 1.00 53.21 H new ATOM 0 HD23 LEU A 31 10.635 -2.662 -19.284 1.00 53.21 H new ATOM 514 N GLN A 32 8.408 -6.624 -17.959 1.00 23.43 N ATOM 515 CA GLN A 32 8.423 -7.813 -18.820 1.00 51.15 C ATOM 516 C GLN A 32 7.467 -8.901 -18.303 1.00 42.53 C ATOM 517 O GLN A 32 7.049 -9.777 -19.058 1.00 55.13 O ATOM 518 CB GLN A 32 9.852 -8.366 -18.960 1.00 33.13 C ATOM 519 CG GLN A 32 10.825 -7.399 -19.635 1.00 73.10 C ATOM 520 CD GLN A 32 10.520 -7.164 -21.109 1.00 41.21 C ATOM 521 OE1 GLN A 32 9.385 -7.285 -21.559 1.00 55.03 O ATOM 522 NE2 GLN A 32 11.536 -6.820 -21.872 1.00 62.01 N ATOM 0 H GLN A 32 9.154 -6.597 -17.264 1.00 23.43 H new ATOM 0 HA GLN A 32 8.071 -7.508 -19.806 1.00 51.15 H new ATOM 0 HB2 GLN A 32 10.233 -8.618 -17.970 1.00 33.13 H new ATOM 0 HB3 GLN A 32 9.818 -9.292 -19.534 1.00 33.13 H new ATOM 0 HG2 GLN A 32 10.800 -6.444 -19.110 1.00 73.10 H new ATOM 0 HG3 GLN A 32 11.838 -7.789 -19.539 1.00 73.10 H new ATOM 0 HE21 GLN A 32 12.468 -6.727 -21.469 1.00 62.01 H new ATOM 0 HE22 GLN A 32 11.391 -6.646 -22.867 1.00 62.01 H new ATOM 531 N GLU A 33 7.115 -8.847 -17.020 1.00 21.14 N ATOM 532 CA GLU A 33 6.118 -9.770 -16.468 1.00 2.41 C ATOM 533 C GLU A 33 4.749 -9.558 -17.134 1.00 14.43 C ATOM 534 O GLU A 33 4.030 -10.517 -17.410 1.00 4.01 O ATOM 535 CB GLU A 33 6.012 -9.620 -14.940 1.00 11.13 C ATOM 536 CG GLU A 33 4.990 -10.562 -14.305 1.00 20.22 C ATOM 537 CD GLU A 33 5.219 -10.785 -12.816 1.00 34.01 C ATOM 538 OE1 GLU A 33 6.073 -11.633 -12.470 1.00 52.34 O ATOM 539 OE2 GLU A 33 4.531 -10.135 -11.995 1.00 11.23 O ATOM 0 H GLU A 33 7.499 -8.183 -16.347 1.00 21.14 H new ATOM 0 HA GLU A 33 6.447 -10.787 -16.683 1.00 2.41 H new ATOM 0 HB2 GLU A 33 6.990 -9.805 -14.496 1.00 11.13 H new ATOM 0 HB3 GLU A 33 5.743 -8.591 -14.702 1.00 11.13 H new ATOM 0 HG2 GLU A 33 3.990 -10.156 -14.455 1.00 20.22 H new ATOM 0 HG3 GLU A 33 5.024 -11.523 -14.819 1.00 20.22 H new ATOM 546 N THR A 34 4.399 -8.297 -17.401 1.00 22.21 N ATOM 547 CA THR A 34 3.171 -7.981 -18.151 1.00 42.40 C ATOM 548 C THR A 34 3.398 -8.039 -19.674 1.00 45.33 C ATOM 549 O THR A 34 2.508 -8.446 -20.424 1.00 12.21 O ATOM 550 CB THR A 34 2.604 -6.585 -17.782 1.00 53.33 C ATOM 551 OG1 THR A 34 1.429 -6.292 -18.560 1.00 74.45 O ATOM 552 CG2 THR A 34 3.641 -5.489 -17.998 1.00 25.54 C ATOM 0 H THR A 34 4.940 -7.482 -17.114 1.00 22.21 H new ATOM 0 HA THR A 34 2.446 -8.744 -17.867 1.00 42.40 H new ATOM 0 HB THR A 34 2.340 -6.611 -16.725 1.00 53.33 H new ATOM 0 HG1 THR A 34 1.085 -5.408 -18.312 1.00 74.45 H new ATOM 0 HG21 THR A 34 3.211 -4.524 -17.730 1.00 25.54 H new ATOM 0 HG22 THR A 34 4.512 -5.684 -17.373 1.00 25.54 H new ATOM 0 HG23 THR A 34 3.942 -5.474 -19.046 1.00 25.54 H new ATOM 560 N THR A 35 4.587 -7.625 -20.126 1.00 55.00 N ATOM 561 CA THR A 35 4.926 -7.643 -21.562 1.00 34.41 C ATOM 562 C THR A 35 5.191 -9.067 -22.071 1.00 41.25 C ATOM 563 O THR A 35 4.456 -9.576 -22.917 1.00 63.20 O ATOM 564 CB THR A 35 6.156 -6.753 -21.876 1.00 72.01 C ATOM 565 OG1 THR A 35 5.867 -5.385 -21.545 1.00 34.53 O ATOM 566 CG2 THR A 35 6.552 -6.843 -23.347 1.00 50.23 C ATOM 0 H THR A 35 5.332 -7.274 -19.524 1.00 55.00 H new ATOM 0 HA THR A 35 4.056 -7.240 -22.081 1.00 34.41 H new ATOM 0 HB THR A 35 6.989 -7.115 -21.274 1.00 72.01 H new ATOM 0 HG1 THR A 35 6.055 -5.231 -20.596 1.00 34.53 H new ATOM 0 HG21 THR A 35 7.418 -6.206 -23.530 1.00 50.23 H new ATOM 0 HG22 THR A 35 6.802 -7.875 -23.594 1.00 50.23 H new ATOM 0 HG23 THR A 35 5.720 -6.512 -23.969 1.00 50.23 H new ATOM 574 N LYS A 36 6.244 -9.709 -21.564 1.00 44.23 N ATOM 575 CA LYS A 36 6.548 -11.093 -21.941 1.00 63.12 C ATOM 576 C LYS A 36 5.459 -12.055 -21.447 1.00 10.30 C ATOM 577 O LYS A 36 4.950 -12.864 -22.224 1.00 54.25 O ATOM 578 CB LYS A 36 7.921 -11.524 -21.401 1.00 0.21 C ATOM 579 CG LYS A 36 9.104 -10.809 -22.057 1.00 72.31 C ATOM 580 CD LYS A 36 9.105 -10.989 -23.576 1.00 15.42 C ATOM 581 CE LYS A 36 10.374 -10.450 -24.224 1.00 40.14 C ATOM 582 NZ LYS A 36 10.627 -9.033 -23.862 1.00 25.43 N ATOM 0 H LYS A 36 6.897 -9.298 -20.897 1.00 44.23 H new ATOM 0 HA LYS A 36 6.576 -11.136 -23.030 1.00 63.12 H new ATOM 0 HB2 LYS A 36 7.950 -11.341 -20.327 1.00 0.21 H new ATOM 0 HB3 LYS A 36 8.035 -12.598 -21.545 1.00 0.21 H new ATOM 0 HG2 LYS A 36 9.065 -9.746 -21.817 1.00 72.31 H new ATOM 0 HG3 LYS A 36 10.036 -11.195 -21.645 1.00 72.31 H new ATOM 0 HD2 LYS A 36 9.000 -12.048 -23.814 1.00 15.42 H new ATOM 0 HD3 LYS A 36 8.239 -10.480 -24.000 1.00 15.42 H new ATOM 0 HE2 LYS A 36 11.224 -11.059 -23.917 1.00 40.14 H new ATOM 0 HE3 LYS A 36 10.293 -10.538 -25.307 1.00 40.14 H new ATOM 0 HZ1 LYS A 36 11.054 -8.539 -24.671 1.00 25.43 H new ATOM 0 HZ2 LYS A 36 9.729 -8.573 -23.610 1.00 25.43 H new ATOM 0 HZ3 LYS A 36 11.276 -8.993 -23.050 1.00 25.43 H new ATOM 596 N PHE A 37 5.100 -11.968 -20.155 1.00 53.12 N ATOM 597 CA PHE A 37 4.017 -12.793 -19.602 1.00 44.11 C ATOM 598 C PHE A 37 4.304 -14.295 -19.829 1.00 63.13 C ATOM 599 O PHE A 37 3.418 -15.062 -20.206 1.00 23.32 O ATOM 600 CB PHE A 37 2.681 -12.366 -20.244 1.00 72.00 C ATOM 601 CG PHE A 37 1.443 -12.796 -19.490 1.00 33.23 C ATOM 602 CD1 PHE A 37 1.356 -12.621 -18.116 1.00 34.33 C ATOM 603 CD2 PHE A 37 0.358 -13.348 -20.159 1.00 71.31 C ATOM 604 CE1 PHE A 37 0.217 -12.989 -17.426 1.00 22.21 C ATOM 605 CE2 PHE A 37 -0.783 -13.720 -19.471 1.00 13.22 C ATOM 606 CZ PHE A 37 -0.853 -13.539 -18.104 1.00 12.33 C ATOM 0 H PHE A 37 5.540 -11.341 -19.481 1.00 53.12 H new ATOM 0 HA PHE A 37 3.952 -12.640 -18.525 1.00 44.11 H new ATOM 0 HB2 PHE A 37 2.671 -11.280 -20.339 1.00 72.00 H new ATOM 0 HB3 PHE A 37 2.633 -12.774 -21.253 1.00 72.00 H new ATOM 0 HD1 PHE A 37 2.189 -12.192 -17.579 1.00 34.33 H new ATOM 0 HD2 PHE A 37 0.406 -13.488 -21.229 1.00 71.31 H new ATOM 0 HE1 PHE A 37 0.163 -12.847 -16.357 1.00 22.21 H new ATOM 0 HE2 PHE A 37 -1.618 -14.152 -20.003 1.00 13.22 H new ATOM 0 HZ PHE A 37 -1.744 -13.827 -17.565 1.00 12.33 H new ATOM 616 N VAL A 38 5.566 -14.688 -19.572 1.00 22.33 N ATOM 617 CA VAL A 38 6.048 -16.075 -19.754 1.00 52.11 C ATOM 618 C VAL A 38 6.289 -16.418 -21.240 1.00 44.22 C ATOM 619 O VAL A 38 5.400 -16.930 -21.923 1.00 1.11 O ATOM 620 CB VAL A 38 5.089 -17.127 -19.121 1.00 35.22 C ATOM 621 CG1 VAL A 38 5.616 -18.549 -19.315 1.00 3.41 C ATOM 622 CG2 VAL A 38 4.865 -16.832 -17.639 1.00 74.34 C ATOM 0 H VAL A 38 6.285 -14.051 -19.230 1.00 22.33 H new ATOM 0 HA VAL A 38 7.001 -16.124 -19.228 1.00 52.11 H new ATOM 0 HB VAL A 38 4.131 -17.054 -19.636 1.00 35.22 H new ATOM 0 HG11 VAL A 38 4.924 -19.259 -18.862 1.00 3.41 H new ATOM 0 HG12 VAL A 38 5.707 -18.761 -20.380 1.00 3.41 H new ATOM 0 HG13 VAL A 38 6.593 -18.643 -18.841 1.00 3.41 H new ATOM 0 HG21 VAL A 38 4.192 -17.579 -17.217 1.00 74.34 H new ATOM 0 HG22 VAL A 38 5.819 -16.865 -17.113 1.00 74.34 H new ATOM 0 HG23 VAL A 38 4.423 -15.842 -17.528 1.00 74.34 H new ATOM 632 N THR A 39 7.501 -16.128 -21.739 1.00 54.43 N ATOM 633 CA THR A 39 7.854 -16.416 -23.146 1.00 24.34 C ATOM 634 C THR A 39 9.352 -16.735 -23.343 1.00 52.34 C ATOM 635 O THR A 39 9.740 -17.896 -23.447 1.00 22.41 O ATOM 636 CB THR A 39 7.491 -15.243 -24.104 1.00 70.32 C ATOM 637 OG1 THR A 39 8.072 -14.016 -23.636 1.00 4.03 O ATOM 638 CG2 THR A 39 5.982 -15.068 -24.250 1.00 53.42 C ATOM 0 H THR A 39 8.251 -15.698 -21.197 1.00 54.43 H new ATOM 0 HA THR A 39 7.262 -17.297 -23.394 1.00 24.34 H new ATOM 0 HB THR A 39 7.898 -15.493 -25.084 1.00 70.32 H new ATOM 0 HG1 THR A 39 7.362 -13.364 -23.460 1.00 4.03 H new ATOM 0 HG21 THR A 39 5.776 -14.239 -24.927 1.00 53.42 H new ATOM 0 HG22 THR A 39 5.547 -15.983 -24.653 1.00 53.42 H new ATOM 0 HG23 THR A 39 5.544 -14.857 -23.274 1.00 53.42 H new ATOM 646 N GLU A 40 10.186 -15.693 -23.389 1.00 31.32 N ATOM 647 CA GLU A 40 11.576 -15.824 -23.872 1.00 5.54 C ATOM 648 C GLU A 40 12.658 -15.956 -22.775 1.00 0.42 C ATOM 649 O GLU A 40 12.390 -16.078 -21.571 1.00 71.15 O ATOM 650 CB GLU A 40 11.919 -14.621 -24.772 1.00 45.43 C ATOM 651 CG GLU A 40 11.408 -14.739 -26.206 1.00 3.31 C ATOM 652 CD GLU A 40 12.049 -15.893 -26.969 1.00 73.22 C ATOM 653 OE1 GLU A 40 13.256 -16.164 -26.756 1.00 3.45 O ATOM 654 OE2 GLU A 40 11.357 -16.523 -27.796 1.00 52.02 O ATOM 0 H GLU A 40 9.930 -14.749 -23.100 1.00 31.32 H new ATOM 0 HA GLU A 40 11.598 -16.768 -24.417 1.00 5.54 H new ATOM 0 HB2 GLU A 40 11.504 -13.718 -24.324 1.00 45.43 H new ATOM 0 HB3 GLU A 40 13.002 -14.497 -24.794 1.00 45.43 H new ATOM 0 HG2 GLU A 40 10.327 -14.875 -26.191 1.00 3.31 H new ATOM 0 HG3 GLU A 40 11.605 -13.806 -26.735 1.00 3.31 H new ATOM 661 N ARG A 41 13.908 -15.927 -23.249 1.00 44.34 N ATOM 662 CA ARG A 41 15.109 -16.019 -22.408 1.00 22.33 C ATOM 663 C ARG A 41 15.012 -15.137 -21.154 1.00 35.34 C ATOM 664 O ARG A 41 15.398 -15.560 -20.072 1.00 43.31 O ATOM 665 CB ARG A 41 16.339 -15.626 -23.245 1.00 35.51 C ATOM 666 CG ARG A 41 16.358 -14.156 -23.669 1.00 25.15 C ATOM 667 CD ARG A 41 16.923 -13.966 -25.072 1.00 42.31 C ATOM 668 NE ARG A 41 16.054 -14.554 -26.091 1.00 24.31 N ATOM 669 CZ ARG A 41 16.037 -14.190 -27.342 1.00 14.54 C ATOM 670 NH1 ARG A 41 16.855 -13.290 -27.784 1.00 15.30 N ATOM 671 NH2 ARG A 41 15.200 -14.739 -28.153 1.00 12.20 N ATOM 0 H ARG A 41 14.118 -15.838 -24.243 1.00 44.34 H new ATOM 0 HA ARG A 41 15.203 -17.048 -22.062 1.00 22.33 H new ATOM 0 HB2 ARG A 41 17.240 -15.840 -22.670 1.00 35.51 H new ATOM 0 HB3 ARG A 41 16.374 -16.251 -24.137 1.00 35.51 H new ATOM 0 HG2 ARG A 41 15.345 -13.756 -23.630 1.00 25.15 H new ATOM 0 HG3 ARG A 41 16.954 -13.583 -22.959 1.00 25.15 H new ATOM 0 HD2 ARG A 41 17.050 -12.902 -25.272 1.00 42.31 H new ATOM 0 HD3 ARG A 41 17.912 -14.421 -25.131 1.00 42.31 H new ATOM 0 HE ARG A 41 15.419 -15.299 -25.803 1.00 24.31 H new ATOM 0 HH11 ARG A 41 17.525 -12.855 -27.150 1.00 15.30 H new ATOM 0 HH12 ARG A 41 16.829 -13.016 -28.766 1.00 15.30 H new ATOM 0 HH21 ARG A 41 14.556 -15.454 -27.815 1.00 12.20 H new ATOM 0 HH22 ARG A 41 15.181 -14.459 -29.134 1.00 12.20 H new ATOM 685 N GLU A 42 14.482 -13.918 -21.305 1.00 75.51 N ATOM 686 CA GLU A 42 14.282 -13.009 -20.166 1.00 40.24 C ATOM 687 C GLU A 42 13.472 -13.703 -19.063 1.00 61.21 C ATOM 688 O GLU A 42 13.832 -13.664 -17.888 1.00 43.00 O ATOM 689 CB GLU A 42 13.551 -11.739 -20.622 1.00 1.31 C ATOM 690 CG GLU A 42 14.229 -11.009 -21.779 1.00 30.15 C ATOM 691 CD GLU A 42 13.466 -9.771 -22.224 1.00 11.41 C ATOM 692 OE1 GLU A 42 12.260 -9.672 -21.928 1.00 40.05 O ATOM 693 OE2 GLU A 42 14.068 -8.895 -22.881 1.00 0.31 O ATOM 0 H GLU A 42 14.184 -13.537 -22.203 1.00 75.51 H new ATOM 0 HA GLU A 42 15.260 -12.736 -19.769 1.00 40.24 H new ATOM 0 HB2 GLU A 42 12.536 -12.004 -20.919 1.00 1.31 H new ATOM 0 HB3 GLU A 42 13.468 -11.057 -19.776 1.00 1.31 H new ATOM 0 HG2 GLU A 42 15.237 -10.721 -21.480 1.00 30.15 H new ATOM 0 HG3 GLU A 42 14.330 -11.691 -22.623 1.00 30.15 H new ATOM 700 N TYR A 43 12.391 -14.368 -19.470 1.00 30.14 N ATOM 701 CA TYR A 43 11.568 -15.161 -18.555 1.00 43.40 C ATOM 702 C TYR A 43 12.406 -16.242 -17.846 1.00 1.41 C ATOM 703 O TYR A 43 12.083 -16.656 -16.735 1.00 72.43 O ATOM 704 CB TYR A 43 10.390 -15.790 -19.329 1.00 33.41 C ATOM 705 CG TYR A 43 9.741 -16.982 -18.646 1.00 32.25 C ATOM 706 CD1 TYR A 43 9.050 -16.838 -17.450 1.00 14.40 C ATOM 707 CD2 TYR A 43 9.832 -18.255 -19.201 1.00 50.54 C ATOM 708 CE1 TYR A 43 8.471 -17.926 -16.828 1.00 40.14 C ATOM 709 CE2 TYR A 43 9.255 -19.347 -18.584 1.00 52.22 C ATOM 710 CZ TYR A 43 8.576 -19.176 -17.396 1.00 64.45 C ATOM 711 OH TYR A 43 7.999 -20.259 -16.775 1.00 10.22 O ATOM 0 H TYR A 43 12.062 -14.373 -20.436 1.00 30.14 H new ATOM 0 HA TYR A 43 11.170 -14.503 -17.782 1.00 43.40 H new ATOM 0 HB2 TYR A 43 9.631 -15.025 -19.491 1.00 33.41 H new ATOM 0 HB3 TYR A 43 10.744 -16.101 -20.312 1.00 33.41 H new ATOM 0 HD1 TYR A 43 8.964 -15.860 -17.000 1.00 14.40 H new ATOM 0 HD2 TYR A 43 10.364 -18.391 -20.131 1.00 50.54 H new ATOM 0 HE1 TYR A 43 7.937 -17.797 -15.898 1.00 40.14 H new ATOM 0 HE2 TYR A 43 9.335 -20.328 -19.029 1.00 52.22 H new ATOM 0 HH TYR A 43 7.057 -20.065 -16.587 1.00 10.22 H new ATOM 721 N TYR A 44 13.479 -16.698 -18.494 1.00 13.13 N ATOM 722 CA TYR A 44 14.371 -17.707 -17.885 1.00 53.30 C ATOM 723 C TYR A 44 15.549 -17.100 -17.084 1.00 55.54 C ATOM 724 O TYR A 44 15.938 -17.649 -16.052 1.00 43.43 O ATOM 725 CB TYR A 44 14.933 -18.652 -18.956 1.00 51.31 C ATOM 726 CG TYR A 44 13.871 -19.452 -19.693 1.00 64.20 C ATOM 727 CD1 TYR A 44 13.431 -20.680 -19.204 1.00 64.43 C ATOM 728 CD2 TYR A 44 13.311 -18.983 -20.878 1.00 74.34 C ATOM 729 CE1 TYR A 44 12.467 -21.412 -19.872 1.00 64.41 C ATOM 730 CE2 TYR A 44 12.348 -19.711 -21.550 1.00 54.10 C ATOM 731 CZ TYR A 44 11.929 -20.922 -21.045 1.00 24.32 C ATOM 732 OH TYR A 44 10.972 -21.650 -21.720 1.00 74.41 O ATOM 0 H TYR A 44 13.756 -16.395 -19.428 1.00 13.13 H new ATOM 0 HA TYR A 44 13.747 -18.254 -17.179 1.00 53.30 H new ATOM 0 HB2 TYR A 44 15.501 -18.067 -19.680 1.00 51.31 H new ATOM 0 HB3 TYR A 44 15.633 -19.343 -18.485 1.00 51.31 H new ATOM 0 HD1 TYR A 44 13.850 -21.067 -18.287 1.00 64.43 H new ATOM 0 HD2 TYR A 44 13.635 -18.034 -21.279 1.00 74.34 H new ATOM 0 HE1 TYR A 44 12.137 -22.362 -19.478 1.00 64.41 H new ATOM 0 HE2 TYR A 44 11.925 -19.332 -22.468 1.00 54.10 H new ATOM 0 HH TYR A 44 10.698 -21.163 -22.525 1.00 74.41 H new ATOM 742 N GLU A 45 16.115 -15.977 -17.543 1.00 62.54 N ATOM 743 CA GLU A 45 17.399 -15.482 -16.998 1.00 33.31 C ATOM 744 C GLU A 45 17.265 -14.159 -16.222 1.00 22.42 C ATOM 745 O GLU A 45 18.217 -13.711 -15.584 1.00 51.25 O ATOM 746 CB GLU A 45 18.438 -15.332 -18.125 1.00 2.32 C ATOM 747 CG GLU A 45 18.082 -14.289 -19.184 1.00 34.22 C ATOM 748 CD GLU A 45 19.096 -14.233 -20.320 1.00 70.05 C ATOM 749 OE1 GLU A 45 19.149 -15.189 -21.126 1.00 41.33 O ATOM 750 OE2 GLU A 45 19.853 -13.238 -20.414 1.00 62.05 O ATOM 0 H GLU A 45 15.716 -15.396 -18.280 1.00 62.54 H new ATOM 0 HA GLU A 45 17.736 -16.231 -16.281 1.00 33.31 H new ATOM 0 HB2 GLU A 45 19.399 -15.068 -17.683 1.00 2.32 H new ATOM 0 HB3 GLU A 45 18.566 -16.298 -18.614 1.00 2.32 H new ATOM 0 HG2 GLU A 45 17.097 -14.514 -19.593 1.00 34.22 H new ATOM 0 HG3 GLU A 45 18.015 -13.308 -18.714 1.00 34.22 H new ATOM 757 N ASP A 46 16.102 -13.524 -16.296 1.00 3.02 N ATOM 758 CA ASP A 46 15.799 -12.357 -15.451 1.00 71.30 C ATOM 759 C ASP A 46 14.737 -12.713 -14.402 1.00 22.45 C ATOM 760 O ASP A 46 14.650 -12.088 -13.343 1.00 24.40 O ATOM 761 CB ASP A 46 15.336 -11.171 -16.306 1.00 34.13 C ATOM 762 CG ASP A 46 16.487 -10.520 -17.052 1.00 4.35 C ATOM 763 OD1 ASP A 46 16.807 -10.964 -18.173 1.00 32.11 O ATOM 764 OD2 ASP A 46 17.091 -9.568 -16.505 1.00 74.32 O ATOM 0 H ASP A 46 15.348 -13.791 -16.929 1.00 3.02 H new ATOM 0 HA ASP A 46 16.712 -12.066 -14.932 1.00 71.30 H new ATOM 0 HB2 ASP A 46 14.587 -11.511 -17.021 1.00 34.13 H new ATOM 0 HB3 ASP A 46 14.854 -10.431 -15.667 1.00 34.13 H new ATOM 769 N PHE A 47 13.930 -13.720 -14.711 1.00 73.13 N ATOM 770 CA PHE A 47 12.932 -14.231 -13.772 1.00 2.51 C ATOM 771 C PHE A 47 13.411 -15.547 -13.136 1.00 2.55 C ATOM 772 O PHE A 47 13.420 -16.594 -13.785 1.00 40.54 O ATOM 773 CB PHE A 47 11.588 -14.436 -14.488 1.00 44.51 C ATOM 774 CG PHE A 47 10.985 -13.158 -15.031 1.00 71.53 C ATOM 775 CD1 PHE A 47 11.505 -12.554 -16.167 1.00 62.42 C ATOM 776 CD2 PHE A 47 9.901 -12.563 -14.405 1.00 22.13 C ATOM 777 CE1 PHE A 47 10.958 -11.387 -16.665 1.00 24.13 C ATOM 778 CE2 PHE A 47 9.350 -11.395 -14.898 1.00 64.44 C ATOM 779 CZ PHE A 47 9.879 -10.808 -16.030 1.00 54.03 C ATOM 0 H PHE A 47 13.945 -14.203 -15.609 1.00 73.13 H new ATOM 0 HA PHE A 47 12.796 -13.498 -12.977 1.00 2.51 H new ATOM 0 HB2 PHE A 47 11.728 -15.139 -15.309 1.00 44.51 H new ATOM 0 HB3 PHE A 47 10.883 -14.893 -13.794 1.00 44.51 H new ATOM 0 HD1 PHE A 47 12.349 -13.003 -16.669 1.00 62.42 H new ATOM 0 HD2 PHE A 47 9.481 -13.018 -13.520 1.00 22.13 H new ATOM 0 HE1 PHE A 47 11.375 -10.929 -17.550 1.00 24.13 H new ATOM 0 HE2 PHE A 47 8.507 -10.942 -14.398 1.00 64.44 H new ATOM 0 HZ PHE A 47 9.449 -9.897 -16.418 1.00 54.03 H new ATOM 789 N GLY A 48 13.815 -15.491 -11.865 1.00 45.02 N ATOM 790 CA GLY A 48 14.370 -16.673 -11.210 1.00 45.11 C ATOM 791 C GLY A 48 14.048 -16.776 -9.720 1.00 50.52 C ATOM 792 O GLY A 48 13.019 -16.287 -9.256 1.00 72.23 O ATOM 0 H GLY A 48 13.769 -14.657 -11.280 1.00 45.02 H new ATOM 0 HA2 GLY A 48 13.993 -17.563 -11.713 1.00 45.11 H new ATOM 0 HA3 GLY A 48 15.453 -16.669 -11.336 1.00 45.11 H new ATOM 796 N TYR A 49 14.957 -17.405 -8.974 1.00 22.04 N ATOM 797 CA TYR A 49 14.727 -17.747 -7.561 1.00 3.30 C ATOM 798 C TYR A 49 15.185 -16.636 -6.596 1.00 43.33 C ATOM 799 O TYR A 49 15.748 -15.617 -7.006 1.00 21.05 O ATOM 800 CB TYR A 49 15.483 -19.046 -7.220 1.00 35.15 C ATOM 801 CG TYR A 49 16.991 -18.856 -7.073 1.00 45.53 C ATOM 802 CD1 TYR A 49 17.781 -18.502 -8.164 1.00 51.31 C ATOM 803 CD2 TYR A 49 17.621 -19.021 -5.839 1.00 54.15 C ATOM 804 CE1 TYR A 49 19.145 -18.317 -8.031 1.00 43.23 C ATOM 805 CE2 TYR A 49 18.987 -18.839 -5.701 1.00 65.03 C ATOM 806 CZ TYR A 49 19.744 -18.487 -6.799 1.00 24.35 C ATOM 807 OH TYR A 49 21.105 -18.300 -6.665 1.00 65.24 O ATOM 0 H TYR A 49 15.870 -17.693 -9.325 1.00 22.04 H new ATOM 0 HA TYR A 49 13.652 -17.873 -7.433 1.00 3.30 H new ATOM 0 HB2 TYR A 49 15.085 -19.455 -6.291 1.00 35.15 H new ATOM 0 HB3 TYR A 49 15.293 -19.783 -8.000 1.00 35.15 H new ATOM 0 HD1 TYR A 49 17.320 -18.370 -9.132 1.00 51.31 H new ATOM 0 HD2 TYR A 49 17.033 -19.296 -4.976 1.00 54.15 H new ATOM 0 HE1 TYR A 49 19.740 -18.040 -8.889 1.00 43.23 H new ATOM 0 HE2 TYR A 49 19.457 -18.972 -4.738 1.00 65.03 H new ATOM 0 HH TYR A 49 21.367 -18.458 -5.734 1.00 65.24 H new ATOM 817 N GLY A 50 14.958 -16.864 -5.302 1.00 2.40 N ATOM 818 CA GLY A 50 15.449 -15.956 -4.269 1.00 53.53 C ATOM 819 C GLY A 50 14.508 -14.792 -3.985 1.00 71.12 C ATOM 820 O GLY A 50 13.324 -14.993 -3.721 1.00 61.35 O ATOM 0 H GLY A 50 14.439 -17.667 -4.947 1.00 2.40 H new ATOM 0 HA2 GLY A 50 15.607 -16.518 -3.348 1.00 53.53 H new ATOM 0 HA3 GLY A 50 16.419 -15.563 -4.573 1.00 53.53 H new ATOM 824 N GLU A 51 15.035 -13.573 -4.017 1.00 63.24 N ATOM 825 CA GLU A 51 14.226 -12.378 -3.776 1.00 1.54 C ATOM 826 C GLU A 51 13.864 -11.703 -5.102 1.00 72.34 C ATOM 827 O GLU A 51 14.452 -10.685 -5.479 1.00 31.41 O ATOM 828 CB GLU A 51 14.975 -11.397 -2.861 1.00 51.24 C ATOM 829 CG GLU A 51 15.481 -12.023 -1.562 1.00 10.13 C ATOM 830 CD GLU A 51 14.392 -12.752 -0.783 1.00 11.31 C ATOM 831 OE1 GLU A 51 13.526 -12.079 -0.190 1.00 70.22 O ATOM 832 OE2 GLU A 51 14.411 -14.005 -0.747 1.00 24.43 O ATOM 0 H GLU A 51 16.019 -13.384 -4.207 1.00 63.24 H new ATOM 0 HA GLU A 51 13.305 -12.679 -3.277 1.00 1.54 H new ATOM 0 HB2 GLU A 51 15.822 -10.982 -3.407 1.00 51.24 H new ATOM 0 HB3 GLU A 51 14.314 -10.565 -2.618 1.00 51.24 H new ATOM 0 HG2 GLU A 51 16.284 -12.723 -1.792 1.00 10.13 H new ATOM 0 HG3 GLU A 51 15.909 -11.243 -0.933 1.00 10.13 H new ATOM 839 N CYS A 52 12.915 -12.302 -5.826 1.00 42.45 N ATOM 840 CA CYS A 52 12.538 -11.833 -7.169 1.00 3.22 C ATOM 841 C CYS A 52 13.744 -11.836 -8.125 1.00 14.44 C ATOM 842 O CYS A 52 13.734 -11.159 -9.154 1.00 41.03 O ATOM 843 CB CYS A 52 11.925 -10.424 -7.098 1.00 5.42 C ATOM 844 SG CYS A 52 10.402 -10.328 -6.125 1.00 5.22 S ATOM 0 H CYS A 52 12.390 -13.116 -5.506 1.00 42.45 H new ATOM 0 HA CYS A 52 11.793 -12.525 -7.561 1.00 3.22 H new ATOM 0 HB2 CYS A 52 12.660 -9.741 -6.671 1.00 5.42 H new ATOM 0 HB3 CYS A 52 11.719 -10.078 -8.111 1.00 5.42 H new ATOM 0 HG CYS A 52 10.680 -9.918 -4.923 1.00 5.22 H new ATOM 850 N PHE A 53 14.768 -12.621 -7.774 1.00 73.11 N ATOM 851 CA PHE A 53 16.020 -12.703 -8.543 1.00 2.03 C ATOM 852 C PHE A 53 16.650 -11.308 -8.747 1.00 71.54 C ATOM 853 O PHE A 53 17.313 -11.040 -9.750 1.00 20.30 O ATOM 854 CB PHE A 53 15.774 -13.415 -9.885 1.00 12.14 C ATOM 855 CG PHE A 53 17.036 -13.873 -10.573 1.00 62.33 C ATOM 856 CD1 PHE A 53 18.060 -14.470 -9.847 1.00 64.40 C ATOM 857 CD2 PHE A 53 17.201 -13.712 -11.940 1.00 23.00 C ATOM 858 CE1 PHE A 53 19.216 -14.893 -10.469 1.00 23.14 C ATOM 859 CE2 PHE A 53 18.356 -14.136 -12.567 1.00 33.03 C ATOM 860 CZ PHE A 53 19.365 -14.726 -11.831 1.00 25.41 C ATOM 0 H PHE A 53 14.755 -13.219 -6.948 1.00 73.11 H new ATOM 0 HA PHE A 53 16.736 -13.293 -7.971 1.00 2.03 H new ATOM 0 HB2 PHE A 53 15.131 -14.278 -9.715 1.00 12.14 H new ATOM 0 HB3 PHE A 53 15.234 -12.741 -10.549 1.00 12.14 H new ATOM 0 HD1 PHE A 53 17.949 -14.604 -8.781 1.00 64.40 H new ATOM 0 HD2 PHE A 53 16.417 -13.250 -12.521 1.00 23.00 H new ATOM 0 HE1 PHE A 53 20.003 -15.354 -9.891 1.00 23.14 H new ATOM 0 HE2 PHE A 53 18.470 -14.006 -13.633 1.00 33.03 H new ATOM 0 HZ PHE A 53 20.269 -15.056 -12.321 1.00 25.41 H new ATOM 870 N ASN A 54 16.449 -10.438 -7.761 1.00 24.01 N ATOM 871 CA ASN A 54 17.000 -9.079 -7.776 1.00 32.11 C ATOM 872 C ASN A 54 18.524 -9.107 -7.543 1.00 64.31 C ATOM 873 O ASN A 54 19.040 -10.004 -6.873 1.00 62.05 O ATOM 874 CB ASN A 54 16.295 -8.248 -6.688 1.00 43.31 C ATOM 875 CG ASN A 54 16.573 -6.753 -6.770 1.00 44.12 C ATOM 876 OD1 ASN A 54 17.637 -6.318 -7.184 1.00 33.51 O ATOM 877 ND2 ASN A 54 15.609 -5.951 -6.365 1.00 11.12 N ATOM 0 H ASN A 54 15.900 -10.652 -6.928 1.00 24.01 H new ATOM 0 HA ASN A 54 16.826 -8.624 -8.751 1.00 32.11 H new ATOM 0 HB2 ASN A 54 15.220 -8.411 -6.761 1.00 43.31 H new ATOM 0 HB3 ASN A 54 16.607 -8.612 -5.709 1.00 43.31 H new ATOM 0 HD21 ASN A 54 15.741 -4.940 -6.393 1.00 11.12 H new ATOM 0 HD22 ASN A 54 14.730 -6.341 -6.024 1.00 11.12 H new ATOM 884 N SER A 55 19.235 -8.122 -8.098 1.00 14.42 N ATOM 885 CA SER A 55 20.696 -8.013 -7.931 1.00 13.03 C ATOM 886 C SER A 55 21.105 -8.172 -6.459 1.00 63.33 C ATOM 887 O SER A 55 22.094 -8.842 -6.140 1.00 21.54 O ATOM 888 CB SER A 55 21.192 -6.662 -8.467 1.00 25.44 C ATOM 889 OG SER A 55 20.543 -5.575 -7.820 1.00 34.55 O ATOM 0 H SER A 55 18.825 -7.383 -8.670 1.00 14.42 H new ATOM 0 HA SER A 55 21.157 -8.820 -8.501 1.00 13.03 H new ATOM 0 HB2 SER A 55 22.269 -6.584 -8.319 1.00 25.44 H new ATOM 0 HB3 SER A 55 21.013 -6.607 -9.541 1.00 25.44 H new ATOM 0 HG SER A 55 19.599 -5.795 -7.679 1.00 34.55 H new ATOM 895 N THR A 56 20.342 -7.537 -5.572 1.00 42.53 N ATOM 896 CA THR A 56 20.476 -7.730 -4.118 1.00 50.21 C ATOM 897 C THR A 56 19.097 -7.741 -3.456 1.00 32.35 C ATOM 898 O THR A 56 18.153 -7.129 -3.960 1.00 1.42 O ATOM 899 CB THR A 56 21.331 -6.631 -3.433 1.00 61.14 C ATOM 900 OG1 THR A 56 20.750 -5.333 -3.647 1.00 51.21 O ATOM 901 CG2 THR A 56 22.768 -6.642 -3.945 1.00 43.13 C ATOM 0 H THR A 56 19.613 -6.874 -5.834 1.00 42.53 H new ATOM 0 HA THR A 56 20.983 -8.686 -3.988 1.00 50.21 H new ATOM 0 HB THR A 56 21.346 -6.847 -2.365 1.00 61.14 H new ATOM 0 HG1 THR A 56 21.300 -4.652 -3.207 1.00 51.21 H new ATOM 0 HG21 THR A 56 23.339 -5.860 -3.444 1.00 43.13 H new ATOM 0 HG22 THR A 56 23.221 -7.611 -3.737 1.00 43.13 H new ATOM 0 HG23 THR A 56 22.773 -6.463 -5.020 1.00 43.13 H new ATOM 909 N GLU A 57 18.974 -8.446 -2.334 1.00 13.05 N ATOM 910 CA GLU A 57 17.718 -8.473 -1.582 1.00 71.34 C ATOM 911 C GLU A 57 17.316 -7.060 -1.123 1.00 41.23 C ATOM 912 O GLU A 57 18.134 -6.311 -0.587 1.00 2.43 O ATOM 913 CB GLU A 57 17.835 -9.412 -0.373 1.00 15.52 C ATOM 914 CG GLU A 57 18.998 -9.085 0.559 1.00 13.30 C ATOM 915 CD GLU A 57 19.006 -9.940 1.815 1.00 64.12 C ATOM 916 OE1 GLU A 57 19.571 -11.054 1.785 1.00 4.02 O ATOM 917 OE2 GLU A 57 18.446 -9.498 2.841 1.00 12.43 O ATOM 0 H GLU A 57 19.724 -9.004 -1.925 1.00 13.05 H new ATOM 0 HA GLU A 57 16.939 -8.849 -2.245 1.00 71.34 H new ATOM 0 HB2 GLU A 57 16.906 -9.373 0.195 1.00 15.52 H new ATOM 0 HB3 GLU A 57 17.947 -10.436 -0.731 1.00 15.52 H new ATOM 0 HG2 GLU A 57 19.937 -9.226 0.024 1.00 13.30 H new ATOM 0 HG3 GLU A 57 18.946 -8.033 0.841 1.00 13.30 H new ATOM 924 N SER A 58 16.055 -6.703 -1.339 1.00 41.13 N ATOM 925 CA SER A 58 15.548 -5.369 -0.980 1.00 71.54 C ATOM 926 C SER A 58 15.133 -5.304 0.497 1.00 13.23 C ATOM 927 O SER A 58 15.221 -6.298 1.215 1.00 3.52 O ATOM 928 CB SER A 58 14.352 -5.005 -1.872 1.00 74.02 C ATOM 929 OG SER A 58 13.801 -3.743 -1.527 1.00 65.53 O ATOM 0 H SER A 58 15.358 -7.316 -1.762 1.00 41.13 H new ATOM 0 HA SER A 58 16.354 -4.652 -1.137 1.00 71.54 H new ATOM 0 HB2 SER A 58 14.668 -4.991 -2.915 1.00 74.02 H new ATOM 0 HB3 SER A 58 13.584 -5.774 -1.782 1.00 74.02 H new ATOM 0 HG SER A 58 13.044 -3.544 -2.117 1.00 65.53 H new ATOM 935 N GLU A 59 14.686 -4.129 0.944 1.00 21.24 N ATOM 936 CA GLU A 59 14.164 -3.958 2.310 1.00 43.12 C ATOM 937 C GLU A 59 12.855 -4.745 2.503 1.00 63.23 C ATOM 938 O GLU A 59 12.370 -4.921 3.623 1.00 11.23 O ATOM 939 CB GLU A 59 13.938 -2.466 2.605 1.00 74.55 C ATOM 940 CG GLU A 59 12.969 -1.787 1.641 1.00 73.42 C ATOM 941 CD GLU A 59 12.806 -0.301 1.917 1.00 21.32 C ATOM 942 OE1 GLU A 59 13.655 0.491 1.467 1.00 53.14 O ATOM 943 OE2 GLU A 59 11.823 0.086 2.581 1.00 4.32 O ATOM 0 H GLU A 59 14.673 -3.278 0.382 1.00 21.24 H new ATOM 0 HA GLU A 59 14.901 -4.351 3.010 1.00 43.12 H new ATOM 0 HB2 GLU A 59 13.559 -2.360 3.621 1.00 74.55 H new ATOM 0 HB3 GLU A 59 14.896 -1.948 2.567 1.00 74.55 H new ATOM 0 HG2 GLU A 59 13.324 -1.925 0.620 1.00 73.42 H new ATOM 0 HG3 GLU A 59 11.996 -2.273 1.709 1.00 73.42 H new ATOM 950 N VAL A 60 12.285 -5.192 1.389 1.00 10.40 N ATOM 951 CA VAL A 60 11.099 -6.051 1.391 1.00 41.23 C ATOM 952 C VAL A 60 11.448 -7.463 0.883 1.00 51.14 C ATOM 953 O VAL A 60 11.941 -7.629 -0.233 1.00 51.32 O ATOM 954 CB VAL A 60 9.967 -5.435 0.524 1.00 62.03 C ATOM 955 CG1 VAL A 60 10.515 -4.920 -0.805 1.00 2.41 C ATOM 956 CG2 VAL A 60 8.839 -6.443 0.287 1.00 71.21 C ATOM 0 H VAL A 60 12.631 -4.970 0.455 1.00 10.40 H new ATOM 0 HA VAL A 60 10.744 -6.128 2.419 1.00 41.23 H new ATOM 0 HB VAL A 60 9.554 -4.590 1.074 1.00 62.03 H new ATOM 0 HG11 VAL A 60 9.702 -4.494 -1.393 1.00 2.41 H new ATOM 0 HG12 VAL A 60 11.267 -4.154 -0.616 1.00 2.41 H new ATOM 0 HG13 VAL A 60 10.968 -5.744 -1.356 1.00 2.41 H new ATOM 0 HG21 VAL A 60 8.062 -5.982 -0.323 1.00 71.21 H new ATOM 0 HG22 VAL A 60 9.235 -7.317 -0.229 1.00 71.21 H new ATOM 0 HG23 VAL A 60 8.416 -6.748 1.244 1.00 71.21 H new ATOM 966 N GLN A 61 11.204 -8.475 1.716 1.00 41.11 N ATOM 967 CA GLN A 61 11.527 -9.867 1.363 1.00 12.30 C ATOM 968 C GLN A 61 10.334 -10.588 0.705 1.00 40.15 C ATOM 969 O GLN A 61 9.178 -10.205 0.893 1.00 50.03 O ATOM 970 CB GLN A 61 11.998 -10.651 2.600 1.00 4.11 C ATOM 971 CG GLN A 61 13.371 -10.238 3.134 1.00 63.11 C ATOM 972 CD GLN A 61 13.391 -8.841 3.729 1.00 70.15 C ATOM 973 OE1 GLN A 61 13.667 -7.862 3.047 1.00 63.14 O ATOM 974 NE2 GLN A 61 13.099 -8.737 5.006 1.00 63.30 N ATOM 0 H GLN A 61 10.785 -8.362 2.639 1.00 41.11 H new ATOM 0 HA GLN A 61 12.338 -9.830 0.635 1.00 12.30 H new ATOM 0 HB2 GLN A 61 11.262 -10.526 3.394 1.00 4.11 H new ATOM 0 HB3 GLN A 61 12.024 -11.712 2.353 1.00 4.11 H new ATOM 0 HG2 GLN A 61 13.687 -10.953 3.893 1.00 63.11 H new ATOM 0 HG3 GLN A 61 14.099 -10.290 2.324 1.00 63.11 H new ATOM 0 HE21 GLN A 61 12.873 -9.572 5.547 1.00 63.30 H new ATOM 0 HE22 GLN A 61 13.098 -7.822 5.456 1.00 63.30 H new ATOM 983 N CYS A 62 10.638 -11.653 -0.038 1.00 71.35 N ATOM 984 CA CYS A 62 9.642 -12.384 -0.843 1.00 70.34 C ATOM 985 C CYS A 62 8.571 -13.092 0.011 1.00 41.42 C ATOM 986 O CYS A 62 7.487 -12.549 0.245 1.00 70.40 O ATOM 987 CB CYS A 62 10.358 -13.404 -1.739 1.00 33.54 C ATOM 988 SG CYS A 62 9.253 -14.429 -2.730 1.00 14.43 S ATOM 0 H CYS A 62 11.580 -12.038 -0.103 1.00 71.35 H new ATOM 0 HA CYS A 62 9.116 -11.646 -1.449 1.00 70.34 H new ATOM 0 HB2 CYS A 62 11.036 -12.871 -2.406 1.00 33.54 H new ATOM 0 HB3 CYS A 62 10.971 -14.052 -1.113 1.00 33.54 H new ATOM 0 HG CYS A 62 8.298 -13.693 -3.216 1.00 14.43 H new ATOM 994 N GLU A 63 8.881 -14.299 0.495 1.00 54.11 N ATOM 995 CA GLU A 63 7.910 -15.094 1.273 1.00 41.32 C ATOM 996 C GLU A 63 7.618 -14.465 2.645 1.00 34.25 C ATOM 997 O GLU A 63 6.813 -14.989 3.414 1.00 64.11 O ATOM 998 CB GLU A 63 8.359 -16.568 1.446 1.00 4.23 C ATOM 999 CG GLU A 63 9.748 -16.902 0.910 1.00 42.01 C ATOM 1000 CD GLU A 63 10.875 -16.241 1.689 1.00 51.34 C ATOM 1001 OE1 GLU A 63 11.177 -16.701 2.811 1.00 54.51 O ATOM 1002 OE2 GLU A 63 11.470 -15.268 1.177 1.00 71.13 O ATOM 0 H GLU A 63 9.787 -14.749 0.366 1.00 54.11 H new ATOM 0 HA GLU A 63 6.988 -15.090 0.692 1.00 41.32 H new ATOM 0 HB2 GLU A 63 8.330 -16.816 2.507 1.00 4.23 H new ATOM 0 HB3 GLU A 63 7.633 -17.211 0.948 1.00 4.23 H new ATOM 0 HG2 GLU A 63 9.887 -17.983 0.932 1.00 42.01 H new ATOM 0 HG3 GLU A 63 9.809 -16.594 -0.134 1.00 42.01 H new ATOM 1009 N LEU A 64 8.274 -13.347 2.949 1.00 50.54 N ATOM 1010 CA LEU A 64 7.949 -12.560 4.143 1.00 70.43 C ATOM 1011 C LEU A 64 6.486 -12.081 4.085 1.00 24.30 C ATOM 1012 O LEU A 64 5.847 -11.844 5.114 1.00 21.31 O ATOM 1013 CB LEU A 64 8.898 -11.357 4.240 1.00 24.02 C ATOM 1014 CG LEU A 64 8.728 -10.472 5.487 1.00 33.42 C ATOM 1015 CD1 LEU A 64 9.075 -11.248 6.756 1.00 45.03 C ATOM 1016 CD2 LEU A 64 9.580 -9.207 5.374 1.00 12.00 C ATOM 0 H LEU A 64 9.034 -12.963 2.387 1.00 50.54 H new ATOM 0 HA LEU A 64 8.072 -13.185 5.027 1.00 70.43 H new ATOM 0 HB2 LEU A 64 9.924 -11.724 4.215 1.00 24.02 H new ATOM 0 HB3 LEU A 64 8.760 -10.736 3.355 1.00 24.02 H new ATOM 0 HG LEU A 64 7.682 -10.173 5.550 1.00 33.42 H new ATOM 0 HD11 LEU A 64 8.947 -10.601 7.624 1.00 45.03 H new ATOM 0 HD12 LEU A 64 8.416 -12.111 6.846 1.00 45.03 H new ATOM 0 HD13 LEU A 64 10.110 -11.586 6.704 1.00 45.03 H new ATOM 0 HD21 LEU A 64 9.444 -8.596 6.266 1.00 12.00 H new ATOM 0 HD22 LEU A 64 10.630 -9.483 5.279 1.00 12.00 H new ATOM 0 HD23 LEU A 64 9.273 -8.639 4.496 1.00 12.00 H new ATOM 1028 N ILE A 65 5.975 -11.952 2.857 1.00 74.53 N ATOM 1029 CA ILE A 65 4.592 -11.538 2.603 1.00 42.53 C ATOM 1030 C ILE A 65 4.296 -10.151 3.193 1.00 55.23 C ATOM 1031 O ILE A 65 3.739 -10.013 4.285 1.00 34.24 O ATOM 1032 CB ILE A 65 3.564 -12.584 3.124 1.00 74.14 C ATOM 1033 CG1 ILE A 65 3.822 -13.953 2.465 1.00 1.40 C ATOM 1034 CG2 ILE A 65 2.128 -12.120 2.859 1.00 73.12 C ATOM 1035 CD1 ILE A 65 2.901 -15.055 2.947 1.00 11.13 C ATOM 0 H ILE A 65 6.511 -12.132 2.008 1.00 74.53 H new ATOM 0 HA ILE A 65 4.482 -11.475 1.520 1.00 42.53 H new ATOM 0 HB ILE A 65 3.690 -12.684 4.202 1.00 74.14 H new ATOM 0 HG12 ILE A 65 3.714 -13.850 1.385 1.00 1.40 H new ATOM 0 HG13 ILE A 65 4.854 -14.247 2.656 1.00 1.40 H new ATOM 0 HG21 ILE A 65 1.429 -12.868 3.232 1.00 73.12 H new ATOM 0 HG22 ILE A 65 1.952 -11.173 3.369 1.00 73.12 H new ATOM 0 HG23 ILE A 65 1.980 -11.988 1.787 1.00 73.12 H new ATOM 0 HD11 ILE A 65 3.148 -15.985 2.435 1.00 11.13 H new ATOM 0 HD12 ILE A 65 3.025 -15.188 4.022 1.00 11.13 H new ATOM 0 HD13 ILE A 65 1.867 -14.785 2.731 1.00 11.13 H new ATOM 1047 N THR A 66 4.722 -9.120 2.477 1.00 44.04 N ATOM 1048 CA THR A 66 4.403 -7.738 2.841 1.00 43.10 C ATOM 1049 C THR A 66 3.106 -7.300 2.163 1.00 70.21 C ATOM 1050 O THR A 66 2.221 -6.724 2.796 1.00 3.01 O ATOM 1051 CB THR A 66 5.533 -6.769 2.438 1.00 31.54 C ATOM 1052 OG1 THR A 66 5.744 -6.827 1.017 1.00 32.44 O ATOM 1053 CG2 THR A 66 6.828 -7.111 3.170 1.00 13.31 C ATOM 0 H THR A 66 5.292 -9.211 1.636 1.00 44.04 H new ATOM 0 HA THR A 66 4.288 -7.705 3.924 1.00 43.10 H new ATOM 0 HB THR A 66 5.236 -5.758 2.718 1.00 31.54 H new ATOM 0 HG1 THR A 66 6.061 -5.956 0.698 1.00 32.44 H new ATOM 0 HG21 THR A 66 7.611 -6.414 2.870 1.00 13.31 H new ATOM 0 HG22 THR A 66 6.669 -7.036 4.246 1.00 13.31 H new ATOM 0 HG23 THR A 66 7.131 -8.127 2.918 1.00 13.31 H new ATOM 1061 N GLY A 67 3.004 -7.584 0.868 1.00 74.20 N ATOM 1062 CA GLY A 67 1.771 -7.343 0.135 1.00 11.05 C ATOM 1063 C GLY A 67 0.776 -8.496 0.267 1.00 24.01 C ATOM 1064 O GLY A 67 0.259 -8.761 1.354 1.00 4.43 O ATOM 0 H GLY A 67 3.759 -7.980 0.308 1.00 74.20 H new ATOM 0 HA2 GLY A 67 1.309 -6.425 0.499 1.00 11.05 H new ATOM 0 HA3 GLY A 67 2.003 -7.187 -0.918 1.00 11.05 H new ATOM 1068 N GLU A 68 0.518 -9.191 -0.839 1.00 43.20 N ATOM 1069 CA GLU A 68 -0.474 -10.276 -0.866 1.00 25.45 C ATOM 1070 C GLU A 68 0.184 -11.669 -0.896 1.00 12.13 C ATOM 1071 O GLU A 68 0.382 -12.284 0.149 1.00 3.14 O ATOM 1072 CB GLU A 68 -1.405 -10.096 -2.077 1.00 61.31 C ATOM 1073 CG GLU A 68 -2.464 -9.003 -1.913 1.00 31.52 C ATOM 1074 CD GLU A 68 -1.905 -7.659 -1.479 1.00 64.44 C ATOM 1075 OE1 GLU A 68 -1.159 -7.038 -2.258 1.00 10.34 O ATOM 1076 OE2 GLU A 68 -2.228 -7.217 -0.356 1.00 72.21 O ATOM 0 H GLU A 68 0.981 -9.025 -1.733 1.00 43.20 H new ATOM 0 HA GLU A 68 -1.054 -10.219 0.055 1.00 25.45 H new ATOM 0 HB2 GLU A 68 -0.799 -9.867 -2.953 1.00 61.31 H new ATOM 0 HB3 GLU A 68 -1.907 -11.043 -2.276 1.00 61.31 H new ATOM 0 HG2 GLU A 68 -2.991 -8.877 -2.859 1.00 31.52 H new ATOM 0 HG3 GLU A 68 -3.200 -9.332 -1.180 1.00 31.52 H new ATOM 1083 N PHE A 69 0.519 -12.152 -2.100 1.00 61.32 N ATOM 1084 CA PHE A 69 1.133 -13.482 -2.286 1.00 41.21 C ATOM 1085 C PHE A 69 0.303 -14.607 -1.633 1.00 54.02 C ATOM 1086 O PHE A 69 0.572 -15.029 -0.506 1.00 5.50 O ATOM 1087 CB PHE A 69 2.574 -13.490 -1.751 1.00 65.32 C ATOM 1088 CG PHE A 69 3.443 -12.437 -2.388 1.00 15.33 C ATOM 1089 CD1 PHE A 69 3.642 -12.429 -3.759 1.00 71.22 C ATOM 1090 CD2 PHE A 69 4.050 -11.453 -1.620 1.00 12.03 C ATOM 1091 CE1 PHE A 69 4.428 -11.463 -4.354 1.00 64.13 C ATOM 1092 CE2 PHE A 69 4.841 -10.485 -2.209 1.00 2.01 C ATOM 1093 CZ PHE A 69 5.030 -10.489 -3.579 1.00 33.53 C ATOM 0 H PHE A 69 0.375 -11.639 -2.970 1.00 61.32 H new ATOM 0 HA PHE A 69 1.152 -13.681 -3.358 1.00 41.21 H new ATOM 0 HB2 PHE A 69 2.556 -13.335 -0.672 1.00 65.32 H new ATOM 0 HB3 PHE A 69 3.015 -14.471 -1.925 1.00 65.32 H new ATOM 0 HD1 PHE A 69 3.176 -13.188 -4.370 1.00 71.22 H new ATOM 0 HD2 PHE A 69 3.902 -11.444 -0.550 1.00 12.03 H new ATOM 0 HE1 PHE A 69 4.573 -11.468 -5.424 1.00 64.13 H new ATOM 0 HE2 PHE A 69 5.311 -9.727 -1.600 1.00 2.01 H new ATOM 0 HZ PHE A 69 5.646 -9.733 -4.042 1.00 33.53 H new ATOM 1103 N ASP A 70 -0.706 -15.094 -2.357 1.00 51.32 N ATOM 1104 CA ASP A 70 -1.643 -16.082 -1.815 1.00 23.22 C ATOM 1105 C ASP A 70 -1.891 -17.252 -2.796 1.00 32.14 C ATOM 1106 O ASP A 70 -2.120 -17.035 -3.987 1.00 55.45 O ATOM 1107 CB ASP A 70 -2.959 -15.382 -1.473 1.00 5.14 C ATOM 1108 CG ASP A 70 -3.997 -16.347 -0.945 1.00 74.12 C ATOM 1109 OD1 ASP A 70 -3.886 -16.765 0.224 1.00 34.23 O ATOM 1110 OD2 ASP A 70 -4.917 -16.704 -1.700 1.00 13.51 O ATOM 0 H ASP A 70 -0.896 -14.821 -3.321 1.00 51.32 H new ATOM 0 HA ASP A 70 -1.204 -16.514 -0.916 1.00 23.22 H new ATOM 0 HB2 ASP A 70 -2.774 -14.607 -0.729 1.00 5.14 H new ATOM 0 HB3 ASP A 70 -3.346 -14.885 -2.362 1.00 5.14 H new ATOM 1115 N PRO A 71 -1.848 -18.511 -2.300 1.00 34.21 N ATOM 1116 CA PRO A 71 -2.073 -19.717 -3.130 1.00 52.14 C ATOM 1117 C PRO A 71 -3.535 -19.898 -3.592 1.00 14.14 C ATOM 1118 O PRO A 71 -3.794 -20.544 -4.608 1.00 74.53 O ATOM 1119 CB PRO A 71 -1.661 -20.879 -2.199 1.00 13.41 C ATOM 1120 CG PRO A 71 -0.937 -20.240 -1.057 1.00 31.44 C ATOM 1121 CD PRO A 71 -1.538 -18.874 -0.907 1.00 34.22 C ATOM 0 HA PRO A 71 -1.505 -19.658 -4.058 1.00 52.14 H new ATOM 0 HB2 PRO A 71 -2.534 -21.431 -1.850 1.00 13.41 H new ATOM 0 HB3 PRO A 71 -1.021 -21.591 -2.720 1.00 13.41 H new ATOM 0 HG2 PRO A 71 -1.056 -20.822 -0.143 1.00 31.44 H new ATOM 0 HG3 PRO A 71 0.132 -20.177 -1.258 1.00 31.44 H new ATOM 0 HD2 PRO A 71 -2.431 -18.889 -0.283 1.00 34.22 H new ATOM 0 HD3 PRO A 71 -0.841 -18.172 -0.449 1.00 34.22 H new ATOM 1129 N LYS A 72 -4.484 -19.338 -2.841 1.00 0.45 N ATOM 1130 CA LYS A 72 -5.917 -19.467 -3.160 1.00 4.32 C ATOM 1131 C LYS A 72 -6.330 -18.462 -4.255 1.00 60.23 C ATOM 1132 O LYS A 72 -7.374 -18.606 -4.900 1.00 23.23 O ATOM 1133 CB LYS A 72 -6.748 -19.251 -1.881 1.00 4.54 C ATOM 1134 CG LYS A 72 -8.257 -19.371 -2.071 1.00 44.21 C ATOM 1135 CD LYS A 72 -9.016 -19.025 -0.789 1.00 43.20 C ATOM 1136 CE LYS A 72 -10.526 -19.164 -0.956 1.00 14.02 C ATOM 1137 NZ LYS A 72 -11.061 -18.267 -2.013 1.00 21.34 N ATOM 0 H LYS A 72 -4.291 -18.788 -2.004 1.00 0.45 H new ATOM 0 HA LYS A 72 -6.105 -20.470 -3.544 1.00 4.32 H new ATOM 0 HB2 LYS A 72 -6.431 -19.977 -1.132 1.00 4.54 H new ATOM 0 HB3 LYS A 72 -6.524 -18.262 -1.481 1.00 4.54 H new ATOM 0 HG2 LYS A 72 -8.577 -18.707 -2.874 1.00 44.21 H new ATOM 0 HG3 LYS A 72 -8.506 -20.387 -2.379 1.00 44.21 H new ATOM 0 HD2 LYS A 72 -8.680 -19.677 0.017 1.00 43.20 H new ATOM 0 HD3 LYS A 72 -8.778 -18.003 -0.493 1.00 43.20 H new ATOM 0 HE2 LYS A 72 -10.768 -20.198 -1.203 1.00 14.02 H new ATOM 0 HE3 LYS A 72 -11.016 -18.939 -0.009 1.00 14.02 H new ATOM 0 HZ1 LYS A 72 -12.100 -18.269 -1.977 1.00 21.34 H new ATOM 0 HZ2 LYS A 72 -10.711 -17.300 -1.858 1.00 21.34 H new ATOM 0 HZ3 LYS A 72 -10.747 -18.603 -2.946 1.00 21.34 H new ATOM 1151 N LEU A 73 -5.485 -17.454 -4.457 1.00 45.25 N ATOM 1152 CA LEU A 73 -5.717 -16.400 -5.452 1.00 75.32 C ATOM 1153 C LEU A 73 -5.892 -16.946 -6.882 1.00 0.41 C ATOM 1154 O LEU A 73 -6.933 -16.742 -7.511 1.00 22.40 O ATOM 1155 CB LEU A 73 -4.538 -15.413 -5.426 1.00 3.23 C ATOM 1156 CG LEU A 73 -4.544 -14.334 -6.524 1.00 5.31 C ATOM 1157 CD1 LEU A 73 -5.727 -13.386 -6.351 1.00 33.24 C ATOM 1158 CD2 LEU A 73 -3.222 -13.569 -6.532 1.00 33.21 C ATOM 0 H LEU A 73 -4.616 -17.341 -3.935 1.00 45.25 H new ATOM 0 HA LEU A 73 -6.650 -15.905 -5.183 1.00 75.32 H new ATOM 0 HB2 LEU A 73 -4.525 -14.917 -4.455 1.00 3.23 H new ATOM 0 HB3 LEU A 73 -3.611 -15.981 -5.506 1.00 3.23 H new ATOM 0 HG LEU A 73 -4.655 -14.829 -7.489 1.00 5.31 H new ATOM 0 HD11 LEU A 73 -5.708 -12.633 -7.139 1.00 33.24 H new ATOM 0 HD12 LEU A 73 -6.657 -13.951 -6.411 1.00 33.24 H new ATOM 0 HD13 LEU A 73 -5.662 -12.896 -5.380 1.00 33.24 H new ATOM 0 HD21 LEU A 73 -3.245 -12.811 -7.315 1.00 33.21 H new ATOM 0 HD22 LEU A 73 -3.074 -13.088 -5.565 1.00 33.21 H new ATOM 0 HD23 LEU A 73 -2.402 -14.262 -6.722 1.00 33.21 H new ATOM 1170 N LEU A 74 -4.877 -17.643 -7.386 1.00 64.00 N ATOM 1171 CA LEU A 74 -4.836 -18.032 -8.804 1.00 23.42 C ATOM 1172 C LEU A 74 -5.044 -19.544 -9.011 1.00 3.31 C ATOM 1173 O LEU A 74 -4.704 -20.357 -8.150 1.00 55.40 O ATOM 1174 CB LEU A 74 -3.501 -17.597 -9.447 1.00 30.41 C ATOM 1175 CG LEU A 74 -2.228 -18.309 -8.938 1.00 12.42 C ATOM 1176 CD1 LEU A 74 -1.043 -18.006 -9.853 1.00 1.42 C ATOM 1177 CD2 LEU A 74 -1.898 -17.907 -7.500 1.00 1.15 C ATOM 0 H LEU A 74 -4.072 -17.952 -6.841 1.00 64.00 H new ATOM 0 HA LEU A 74 -5.664 -17.518 -9.292 1.00 23.42 H new ATOM 0 HB2 LEU A 74 -3.573 -17.754 -10.523 1.00 30.41 H new ATOM 0 HB3 LEU A 74 -3.379 -16.525 -9.289 1.00 30.41 H new ATOM 0 HG LEU A 74 -2.423 -19.381 -8.952 1.00 12.42 H new ATOM 0 HD11 LEU A 74 -0.155 -18.516 -9.479 1.00 1.42 H new ATOM 0 HD12 LEU A 74 -1.264 -18.355 -10.862 1.00 1.42 H new ATOM 0 HD13 LEU A 74 -0.863 -16.931 -9.872 1.00 1.42 H new ATOM 0 HD21 LEU A 74 -0.997 -18.427 -7.175 1.00 1.15 H new ATOM 0 HD22 LEU A 74 -1.734 -16.831 -7.452 1.00 1.15 H new ATOM 0 HD23 LEU A 74 -2.728 -18.177 -6.847 1.00 1.15 H new ATOM 1189 N PRO A 75 -5.629 -19.935 -10.164 1.00 54.44 N ATOM 1190 CA PRO A 75 -5.750 -21.349 -10.557 1.00 74.45 C ATOM 1191 C PRO A 75 -4.439 -21.908 -11.141 1.00 73.11 C ATOM 1192 O PRO A 75 -3.453 -21.185 -11.290 1.00 64.44 O ATOM 1193 CB PRO A 75 -6.850 -21.311 -11.620 1.00 53.23 C ATOM 1194 CG PRO A 75 -6.701 -19.968 -12.257 1.00 54.10 C ATOM 1195 CD PRO A 75 -6.238 -19.033 -11.166 1.00 52.05 C ATOM 0 HA PRO A 75 -5.975 -22.000 -9.712 1.00 74.45 H new ATOM 0 HB2 PRO A 75 -6.727 -22.113 -12.348 1.00 53.23 H new ATOM 0 HB3 PRO A 75 -7.838 -21.433 -11.175 1.00 53.23 H new ATOM 0 HG2 PRO A 75 -5.979 -20.002 -13.073 1.00 54.10 H new ATOM 0 HG3 PRO A 75 -7.647 -19.632 -12.682 1.00 54.10 H new ATOM 0 HD2 PRO A 75 -5.517 -18.306 -11.541 1.00 52.05 H new ATOM 0 HD3 PRO A 75 -7.069 -18.468 -10.743 1.00 52.05 H new ATOM 1203 N TYR A 76 -4.429 -23.195 -11.490 1.00 14.40 N ATOM 1204 CA TYR A 76 -3.195 -23.842 -11.949 1.00 52.14 C ATOM 1205 C TYR A 76 -3.016 -23.805 -13.476 1.00 74.00 C ATOM 1206 O TYR A 76 -3.572 -24.631 -14.205 1.00 11.44 O ATOM 1207 CB TYR A 76 -3.127 -25.296 -11.456 1.00 40.53 C ATOM 1208 CG TYR A 76 -2.936 -25.426 -9.956 1.00 52.34 C ATOM 1209 CD1 TYR A 76 -1.953 -24.690 -9.298 1.00 14.43 C ATOM 1210 CD2 TYR A 76 -3.729 -26.280 -9.198 1.00 20.10 C ATOM 1211 CE1 TYR A 76 -1.770 -24.801 -7.934 1.00 41.11 C ATOM 1212 CE2 TYR A 76 -3.550 -26.396 -7.831 1.00 22.33 C ATOM 1213 CZ TYR A 76 -2.569 -25.656 -7.206 1.00 33.11 C ATOM 1214 OH TYR A 76 -2.386 -25.767 -5.844 1.00 62.34 O ATOM 0 H TYR A 76 -5.247 -23.804 -11.465 1.00 14.40 H new ATOM 0 HA TYR A 76 -2.378 -23.264 -11.518 1.00 52.14 H new ATOM 0 HB2 TYR A 76 -4.045 -25.810 -11.742 1.00 40.53 H new ATOM 0 HB3 TYR A 76 -2.306 -25.804 -11.963 1.00 40.53 H new ATOM 0 HD1 TYR A 76 -1.323 -24.021 -9.865 1.00 14.43 H new ATOM 0 HD2 TYR A 76 -4.497 -26.863 -9.684 1.00 20.10 H new ATOM 0 HE1 TYR A 76 -1.005 -24.221 -7.440 1.00 41.11 H new ATOM 0 HE2 TYR A 76 -4.176 -27.063 -7.256 1.00 22.33 H new ATOM 0 HH TYR A 76 -3.029 -26.410 -5.479 1.00 62.34 H new ATOM 1224 N ASP A 77 -2.235 -22.836 -13.945 1.00 65.14 N ATOM 1225 CA ASP A 77 -1.687 -22.846 -15.306 1.00 3.41 C ATOM 1226 C ASP A 77 -0.189 -23.183 -15.229 1.00 64.12 C ATOM 1227 O ASP A 77 0.579 -22.429 -14.646 1.00 32.24 O ATOM 1228 CB ASP A 77 -1.891 -21.483 -15.988 1.00 32.20 C ATOM 1229 CG ASP A 77 -3.358 -21.132 -16.167 1.00 70.32 C ATOM 1230 OD1 ASP A 77 -3.949 -20.527 -15.250 1.00 51.20 O ATOM 1231 OD2 ASP A 77 -3.932 -21.455 -17.228 1.00 64.22 O ATOM 0 H ASP A 77 -1.962 -22.021 -13.396 1.00 65.14 H new ATOM 0 HA ASP A 77 -2.208 -23.596 -15.901 1.00 3.41 H new ATOM 0 HB2 ASP A 77 -1.406 -20.708 -15.395 1.00 32.20 H new ATOM 0 HB3 ASP A 77 -1.402 -21.492 -16.962 1.00 32.20 H new ATOM 1236 N LYS A 78 0.218 -24.306 -15.821 1.00 33.24 N ATOM 1237 CA LYS A 78 1.561 -24.875 -15.598 1.00 11.43 C ATOM 1238 C LYS A 78 2.704 -23.827 -15.612 1.00 22.41 C ATOM 1239 O LYS A 78 3.237 -23.479 -14.555 1.00 64.23 O ATOM 1240 CB LYS A 78 1.842 -25.990 -16.613 1.00 54.21 C ATOM 1241 CG LYS A 78 0.826 -27.130 -16.560 1.00 42.13 C ATOM 1242 CD LYS A 78 1.253 -28.315 -17.422 1.00 64.21 C ATOM 1243 CE LYS A 78 2.553 -28.934 -16.923 1.00 61.44 C ATOM 1244 NZ LYS A 78 2.955 -30.107 -17.738 1.00 22.24 N ATOM 0 H LYS A 78 -0.361 -24.847 -16.463 1.00 33.24 H new ATOM 0 HA LYS A 78 1.549 -25.286 -14.588 1.00 11.43 H new ATOM 0 HB2 LYS A 78 1.847 -25.565 -17.617 1.00 54.21 H new ATOM 0 HB3 LYS A 78 2.839 -26.393 -16.432 1.00 54.21 H new ATOM 0 HG2 LYS A 78 0.702 -27.458 -15.528 1.00 42.13 H new ATOM 0 HG3 LYS A 78 -0.145 -26.767 -16.898 1.00 42.13 H new ATOM 0 HD2 LYS A 78 0.466 -29.069 -17.420 1.00 64.21 H new ATOM 0 HD3 LYS A 78 1.378 -27.988 -18.454 1.00 64.21 H new ATOM 0 HE2 LYS A 78 3.345 -28.185 -16.949 1.00 61.44 H new ATOM 0 HE3 LYS A 78 2.435 -29.238 -15.883 1.00 61.44 H new ATOM 0 HZ1 LYS A 78 3.844 -30.500 -17.367 1.00 22.24 H new ATOM 0 HZ2 LYS A 78 2.211 -30.832 -17.693 1.00 22.24 H new ATOM 0 HZ3 LYS A 78 3.093 -29.813 -18.726 1.00 22.24 H new ATOM 1258 N ARG A 79 3.077 -23.313 -16.789 1.00 31.41 N ATOM 1259 CA ARG A 79 4.249 -22.420 -16.878 1.00 42.05 C ATOM 1260 C ARG A 79 3.946 -20.992 -16.375 1.00 15.45 C ATOM 1261 O ARG A 79 4.831 -20.308 -15.852 1.00 21.34 O ATOM 1262 CB ARG A 79 4.844 -22.376 -18.305 1.00 22.22 C ATOM 1263 CG ARG A 79 3.909 -21.852 -19.399 1.00 21.12 C ATOM 1264 CD ARG A 79 3.022 -22.947 -19.986 1.00 71.20 C ATOM 1265 NE ARG A 79 2.203 -22.452 -21.094 1.00 4.34 N ATOM 1266 CZ ARG A 79 1.210 -23.113 -21.627 1.00 33.23 C ATOM 1267 NH1 ARG A 79 0.899 -24.294 -21.203 1.00 24.14 N ATOM 1268 NH2 ARG A 79 0.537 -22.604 -22.602 1.00 75.03 N ATOM 0 H ARG A 79 2.602 -23.490 -17.674 1.00 31.41 H new ATOM 0 HA ARG A 79 4.998 -22.851 -16.214 1.00 42.05 H new ATOM 0 HB2 ARG A 79 5.738 -21.752 -18.287 1.00 22.22 H new ATOM 0 HB3 ARG A 79 5.163 -23.382 -18.577 1.00 22.22 H new ATOM 0 HG2 ARG A 79 3.281 -21.062 -18.987 1.00 21.12 H new ATOM 0 HG3 ARG A 79 4.503 -21.404 -20.196 1.00 21.12 H new ATOM 0 HD2 ARG A 79 3.645 -23.770 -20.335 1.00 71.20 H new ATOM 0 HD3 ARG A 79 2.374 -23.346 -19.206 1.00 71.20 H new ATOM 0 HE ARG A 79 2.422 -21.531 -21.475 1.00 4.34 H new ATOM 0 HH11 ARG A 79 1.431 -24.720 -20.444 1.00 24.14 H new ATOM 0 HH12 ARG A 79 0.122 -24.800 -21.627 1.00 24.14 H new ATOM 0 HH21 ARG A 79 0.779 -21.681 -22.961 1.00 75.03 H new ATOM 0 HH22 ARG A 79 -0.237 -23.125 -23.014 1.00 75.03 H new ATOM 1282 N LEU A 80 2.699 -20.541 -16.519 1.00 11.45 N ATOM 1283 CA LEU A 80 2.308 -19.207 -16.035 1.00 42.53 C ATOM 1284 C LEU A 80 2.359 -19.135 -14.499 1.00 51.53 C ATOM 1285 O LEU A 80 2.960 -18.219 -13.927 1.00 44.55 O ATOM 1286 CB LEU A 80 0.901 -18.817 -16.535 1.00 63.53 C ATOM 1287 CG LEU A 80 0.789 -18.481 -18.040 1.00 11.34 C ATOM 1288 CD1 LEU A 80 0.966 -19.728 -18.905 1.00 35.00 C ATOM 1289 CD2 LEU A 80 -0.544 -17.800 -18.344 1.00 40.00 C ATOM 0 H LEU A 80 1.947 -21.069 -16.961 1.00 11.45 H new ATOM 0 HA LEU A 80 3.027 -18.495 -16.440 1.00 42.53 H new ATOM 0 HB2 LEU A 80 0.218 -19.637 -16.314 1.00 63.53 H new ATOM 0 HB3 LEU A 80 0.560 -17.954 -15.963 1.00 63.53 H new ATOM 0 HG LEU A 80 1.595 -17.789 -18.285 1.00 11.34 H new ATOM 0 HD11 LEU A 80 0.881 -19.456 -19.957 1.00 35.00 H new ATOM 0 HD12 LEU A 80 1.948 -20.162 -18.720 1.00 35.00 H new ATOM 0 HD13 LEU A 80 0.194 -20.456 -18.655 1.00 35.00 H new ATOM 0 HD21 LEU A 80 -0.602 -17.572 -19.408 1.00 40.00 H new ATOM 0 HD22 LEU A 80 -1.363 -18.465 -18.070 1.00 40.00 H new ATOM 0 HD23 LEU A 80 -0.620 -16.876 -17.771 1.00 40.00 H new ATOM 1301 N ALA A 81 1.732 -20.108 -13.843 1.00 2.44 N ATOM 1302 CA ALA A 81 1.709 -20.176 -12.379 1.00 54.51 C ATOM 1303 C ALA A 81 3.107 -20.434 -11.801 1.00 41.25 C ATOM 1304 O ALA A 81 3.455 -19.890 -10.757 1.00 52.21 O ATOM 1305 CB ALA A 81 0.729 -21.246 -11.908 1.00 11.11 C ATOM 0 H ALA A 81 1.229 -20.867 -14.303 1.00 2.44 H new ATOM 0 HA ALA A 81 1.374 -19.207 -12.010 1.00 54.51 H new ATOM 0 HB1 ALA A 81 0.725 -21.282 -10.819 1.00 11.11 H new ATOM 0 HB2 ALA A 81 -0.272 -21.006 -12.266 1.00 11.11 H new ATOM 0 HB3 ALA A 81 1.032 -22.216 -12.302 1.00 11.11 H new ATOM 1311 N TRP A 82 3.905 -21.269 -12.473 1.00 33.24 N ATOM 1312 CA TRP A 82 5.304 -21.489 -12.071 1.00 24.24 C ATOM 1313 C TRP A 82 6.063 -20.157 -11.985 1.00 55.42 C ATOM 1314 O TRP A 82 6.736 -19.869 -10.991 1.00 72.12 O ATOM 1315 CB TRP A 82 6.004 -22.435 -13.058 1.00 64.11 C ATOM 1316 CG TRP A 82 7.493 -22.528 -12.856 1.00 54.15 C ATOM 1317 CD1 TRP A 82 8.467 -22.133 -13.731 1.00 44.21 C ATOM 1318 CD2 TRP A 82 8.176 -23.032 -11.700 1.00 23.34 C ATOM 1319 NE1 TRP A 82 9.708 -22.366 -13.193 1.00 61.22 N ATOM 1320 CE2 TRP A 82 9.557 -22.916 -11.948 1.00 10.11 C ATOM 1321 CE3 TRP A 82 7.755 -23.570 -10.482 1.00 32.31 C ATOM 1322 CZ2 TRP A 82 10.516 -23.318 -11.023 1.00 70.44 C ATOM 1323 CZ3 TRP A 82 8.708 -23.970 -9.564 1.00 73.42 C ATOM 1324 CH2 TRP A 82 10.075 -23.841 -9.839 1.00 41.30 C ATOM 0 H TRP A 82 3.612 -21.802 -13.292 1.00 33.24 H new ATOM 0 HA TRP A 82 5.304 -21.950 -11.083 1.00 24.24 H new ATOM 0 HB2 TRP A 82 5.571 -23.431 -12.963 1.00 64.11 H new ATOM 0 HB3 TRP A 82 5.805 -22.097 -14.075 1.00 64.11 H new ATOM 0 HD1 TRP A 82 8.286 -21.701 -14.704 1.00 44.21 H new ATOM 0 HE1 TRP A 82 10.598 -22.162 -13.647 1.00 61.22 H new ATOM 0 HE3 TRP A 82 6.703 -23.672 -10.261 1.00 32.31 H new ATOM 0 HZ2 TRP A 82 11.571 -23.220 -11.233 1.00 70.44 H new ATOM 0 HZ3 TRP A 82 8.393 -24.389 -8.620 1.00 73.42 H new ATOM 0 HH2 TRP A 82 10.796 -24.161 -9.101 1.00 41.30 H new ATOM 1335 N HIS A 83 5.937 -19.350 -13.034 1.00 14.01 N ATOM 1336 CA HIS A 83 6.528 -18.011 -13.062 1.00 2.11 C ATOM 1337 C HIS A 83 6.121 -17.189 -11.830 1.00 61.12 C ATOM 1338 O HIS A 83 6.978 -16.686 -11.102 1.00 73.44 O ATOM 1339 CB HIS A 83 6.102 -17.290 -14.350 1.00 13.23 C ATOM 1340 CG HIS A 83 6.347 -15.805 -14.357 1.00 1.15 C ATOM 1341 ND1 HIS A 83 5.537 -14.930 -15.041 1.00 73.32 N ATOM 1342 CD2 HIS A 83 7.297 -15.040 -13.763 1.00 10.32 C ATOM 1343 CE1 HIS A 83 5.972 -13.704 -14.871 1.00 2.53 C ATOM 1344 NE2 HIS A 83 7.036 -13.731 -14.095 1.00 21.53 N ATOM 0 H HIS A 83 5.428 -19.600 -13.882 1.00 14.01 H new ATOM 0 HA HIS A 83 7.613 -18.114 -13.042 1.00 2.11 H new ATOM 0 HB2 HIS A 83 6.634 -17.735 -15.191 1.00 13.23 H new ATOM 0 HB3 HIS A 83 5.039 -17.469 -14.514 1.00 13.23 H new ATOM 0 HD2 HIS A 83 8.108 -15.394 -13.144 1.00 10.32 H new ATOM 0 HE1 HIS A 83 5.529 -12.816 -15.298 1.00 2.53 H new ATOM 0 HE2 HIS A 83 7.575 -12.920 -13.792 1.00 21.53 H new ATOM 1353 N PHE A 84 4.817 -17.041 -11.609 1.00 45.11 N ATOM 1354 CA PHE A 84 4.317 -16.232 -10.493 1.00 13.20 C ATOM 1355 C PHE A 84 4.735 -16.831 -9.136 1.00 61.05 C ATOM 1356 O PHE A 84 5.075 -16.105 -8.203 1.00 11.20 O ATOM 1357 CB PHE A 84 2.790 -16.087 -10.577 1.00 63.23 C ATOM 1358 CG PHE A 84 2.291 -15.565 -11.912 1.00 0.40 C ATOM 1359 CD1 PHE A 84 2.999 -14.594 -12.625 1.00 14.51 C ATOM 1360 CD2 PHE A 84 1.106 -16.045 -12.455 1.00 34.24 C ATOM 1361 CE1 PHE A 84 2.529 -14.127 -13.839 1.00 30.44 C ATOM 1362 CE2 PHE A 84 0.639 -15.578 -13.669 1.00 2.51 C ATOM 1363 CZ PHE A 84 1.351 -14.620 -14.361 1.00 23.34 C ATOM 0 H PHE A 84 4.089 -17.467 -12.182 1.00 45.11 H new ATOM 0 HA PHE A 84 4.764 -15.241 -10.569 1.00 13.20 H new ATOM 0 HB2 PHE A 84 2.332 -17.057 -10.384 1.00 63.23 H new ATOM 0 HB3 PHE A 84 2.455 -15.414 -9.788 1.00 63.23 H new ATOM 0 HD1 PHE A 84 3.923 -14.204 -12.224 1.00 14.51 H new ATOM 0 HD2 PHE A 84 0.541 -16.794 -11.920 1.00 34.24 H new ATOM 0 HE1 PHE A 84 3.085 -13.375 -14.379 1.00 30.44 H new ATOM 0 HE2 PHE A 84 -0.284 -15.963 -14.076 1.00 2.51 H new ATOM 0 HZ PHE A 84 0.987 -14.256 -15.310 1.00 23.34 H new ATOM 1373 N LYS A 85 4.730 -18.161 -9.042 1.00 12.11 N ATOM 1374 CA LYS A 85 5.184 -18.856 -7.830 1.00 72.22 C ATOM 1375 C LYS A 85 6.633 -18.494 -7.481 1.00 1.54 C ATOM 1376 O LYS A 85 6.900 -17.939 -6.423 1.00 5.34 O ATOM 1377 CB LYS A 85 5.077 -20.387 -7.977 1.00 21.24 C ATOM 1378 CG LYS A 85 3.707 -20.970 -7.632 1.00 75.31 C ATOM 1379 CD LYS A 85 3.780 -22.490 -7.465 1.00 45.42 C ATOM 1380 CE LYS A 85 2.487 -23.071 -6.902 1.00 14.13 C ATOM 1381 NZ LYS A 85 2.620 -24.519 -6.584 1.00 3.35 N ATOM 0 H LYS A 85 4.417 -18.781 -9.789 1.00 12.11 H new ATOM 0 HA LYS A 85 4.526 -18.526 -7.026 1.00 72.22 H new ATOM 0 HB2 LYS A 85 5.323 -20.657 -9.004 1.00 21.24 H new ATOM 0 HB3 LYS A 85 5.826 -20.853 -7.337 1.00 21.24 H new ATOM 0 HG2 LYS A 85 3.337 -20.517 -6.712 1.00 75.31 H new ATOM 0 HG3 LYS A 85 2.994 -20.721 -8.418 1.00 75.31 H new ATOM 0 HD2 LYS A 85 3.993 -22.950 -8.430 1.00 45.42 H new ATOM 0 HD3 LYS A 85 4.608 -22.742 -6.802 1.00 45.42 H new ATOM 0 HE2 LYS A 85 2.207 -22.526 -6.001 1.00 14.13 H new ATOM 0 HE3 LYS A 85 1.682 -22.930 -7.623 1.00 14.13 H new ATOM 0 HZ1 LYS A 85 1.720 -24.875 -6.204 1.00 3.35 H new ATOM 0 HZ2 LYS A 85 2.863 -25.043 -7.449 1.00 3.35 H new ATOM 0 HZ3 LYS A 85 3.371 -24.652 -5.877 1.00 3.35 H new ATOM 1395 N GLU A 86 7.562 -18.807 -8.377 1.00 42.10 N ATOM 1396 CA GLU A 86 8.989 -18.633 -8.094 1.00 2.22 C ATOM 1397 C GLU A 86 9.389 -17.151 -8.010 1.00 34.33 C ATOM 1398 O GLU A 86 10.057 -16.730 -7.068 1.00 23.22 O ATOM 1399 CB GLU A 86 9.834 -19.343 -9.159 1.00 3.43 C ATOM 1400 CG GLU A 86 11.307 -19.469 -8.782 1.00 11.44 C ATOM 1401 CD GLU A 86 11.504 -20.210 -7.469 1.00 20.50 C ATOM 1402 OE1 GLU A 86 11.059 -21.371 -7.371 1.00 24.45 O ATOM 1403 OE2 GLU A 86 12.091 -19.645 -6.524 1.00 34.14 O ATOM 0 H GLU A 86 7.358 -19.182 -9.304 1.00 42.10 H new ATOM 0 HA GLU A 86 9.180 -19.081 -7.119 1.00 2.22 H new ATOM 0 HB2 GLU A 86 9.425 -20.338 -9.332 1.00 3.43 H new ATOM 0 HB3 GLU A 86 9.753 -18.797 -10.099 1.00 3.43 H new ATOM 0 HG2 GLU A 86 11.840 -19.993 -9.576 1.00 11.44 H new ATOM 0 HG3 GLU A 86 11.747 -18.475 -8.705 1.00 11.44 H new ATOM 1410 N PHE A 87 8.961 -16.360 -8.986 1.00 72.04 N ATOM 1411 CA PHE A 87 9.385 -14.959 -9.082 1.00 31.31 C ATOM 1412 C PHE A 87 8.741 -14.079 -7.995 1.00 45.13 C ATOM 1413 O PHE A 87 9.341 -13.098 -7.544 1.00 4.44 O ATOM 1414 CB PHE A 87 9.051 -14.411 -10.476 1.00 12.41 C ATOM 1415 CG PHE A 87 9.778 -13.138 -10.821 1.00 13.30 C ATOM 1416 CD1 PHE A 87 11.142 -13.161 -11.065 1.00 4.31 C ATOM 1417 CD2 PHE A 87 9.105 -11.930 -10.917 1.00 61.30 C ATOM 1418 CE1 PHE A 87 11.822 -12.007 -11.395 1.00 2.13 C ATOM 1419 CE2 PHE A 87 9.782 -10.771 -11.245 1.00 10.20 C ATOM 1420 CZ PHE A 87 11.141 -10.809 -11.484 1.00 11.25 C ATOM 0 H PHE A 87 8.322 -16.659 -9.723 1.00 72.04 H new ATOM 0 HA PHE A 87 10.463 -14.928 -8.922 1.00 31.31 H new ATOM 0 HB2 PHE A 87 9.292 -15.169 -11.221 1.00 12.41 H new ATOM 0 HB3 PHE A 87 7.977 -14.233 -10.538 1.00 12.41 H new ATOM 0 HD1 PHE A 87 11.680 -14.095 -10.996 1.00 4.31 H new ATOM 0 HD2 PHE A 87 8.041 -11.894 -10.734 1.00 61.30 H new ATOM 0 HE1 PHE A 87 12.885 -12.040 -11.583 1.00 2.13 H new ATOM 0 HE2 PHE A 87 9.248 -9.835 -11.314 1.00 10.20 H new ATOM 0 HZ PHE A 87 11.671 -9.903 -11.740 1.00 11.25 H new ATOM 1430 N CYS A 88 7.521 -14.422 -7.575 1.00 2.44 N ATOM 1431 CA CYS A 88 6.787 -13.606 -6.593 1.00 71.54 C ATOM 1432 C CYS A 88 6.762 -14.237 -5.186 1.00 62.44 C ATOM 1433 O CYS A 88 6.756 -13.521 -4.186 1.00 61.31 O ATOM 1434 CB CYS A 88 5.351 -13.364 -7.075 1.00 71.33 C ATOM 1435 SG CYS A 88 5.226 -12.508 -8.666 1.00 30.33 S ATOM 0 H CYS A 88 7.020 -15.251 -7.894 1.00 2.44 H new ATOM 0 HA CYS A 88 7.321 -12.659 -6.512 1.00 71.54 H new ATOM 0 HB2 CYS A 88 4.841 -14.324 -7.152 1.00 71.33 H new ATOM 0 HB3 CYS A 88 4.822 -12.782 -6.321 1.00 71.33 H new ATOM 0 HG CYS A 88 3.974 -12.357 -8.980 1.00 30.33 H new ATOM 1441 N TYR A 89 6.738 -15.569 -5.104 1.00 44.31 N ATOM 1442 CA TYR A 89 6.631 -16.266 -3.804 1.00 54.32 C ATOM 1443 C TYR A 89 7.885 -17.116 -3.491 1.00 34.23 C ATOM 1444 O TYR A 89 8.136 -17.454 -2.333 1.00 52.52 O ATOM 1445 CB TYR A 89 5.367 -17.140 -3.787 1.00 21.22 C ATOM 1446 CG TYR A 89 4.961 -17.636 -2.405 1.00 4.13 C ATOM 1447 CD1 TYR A 89 4.598 -16.739 -1.401 1.00 14.51 C ATOM 1448 CD2 TYR A 89 4.930 -18.996 -2.104 1.00 5.41 C ATOM 1449 CE1 TYR A 89 4.222 -17.180 -0.146 1.00 40.33 C ATOM 1450 CE2 TYR A 89 4.550 -19.441 -0.850 1.00 34.44 C ATOM 1451 CZ TYR A 89 4.198 -18.528 0.124 1.00 61.22 C ATOM 1452 OH TYR A 89 3.818 -18.967 1.375 1.00 11.32 O ATOM 0 H TYR A 89 6.790 -16.190 -5.912 1.00 44.31 H new ATOM 0 HA TYR A 89 6.560 -15.508 -3.024 1.00 54.32 H new ATOM 0 HB2 TYR A 89 4.541 -16.570 -4.212 1.00 21.22 H new ATOM 0 HB3 TYR A 89 5.527 -18.001 -4.436 1.00 21.22 H new ATOM 0 HD1 TYR A 89 4.611 -15.679 -1.608 1.00 14.51 H new ATOM 0 HD2 TYR A 89 5.207 -19.714 -2.861 1.00 5.41 H new ATOM 0 HE1 TYR A 89 3.948 -16.469 0.619 1.00 40.33 H new ATOM 0 HE2 TYR A 89 4.529 -20.499 -0.634 1.00 34.44 H new ATOM 0 HH TYR A 89 3.853 -19.946 1.403 1.00 11.32 H new ATOM 1462 N LYS A 90 8.648 -17.465 -4.533 1.00 61.52 N ATOM 1463 CA LYS A 90 9.932 -18.183 -4.397 1.00 20.44 C ATOM 1464 C LYS A 90 9.785 -19.569 -3.737 1.00 32.13 C ATOM 1465 O LYS A 90 9.565 -19.680 -2.527 1.00 64.22 O ATOM 1466 CB LYS A 90 10.940 -17.316 -3.626 1.00 62.22 C ATOM 1467 CG LYS A 90 12.366 -17.883 -3.575 1.00 64.04 C ATOM 1468 CD LYS A 90 12.718 -18.491 -2.217 1.00 73.22 C ATOM 1469 CE LYS A 90 12.481 -17.507 -1.073 1.00 23.44 C ATOM 1470 NZ LYS A 90 13.175 -16.205 -1.273 1.00 3.44 N ATOM 0 H LYS A 90 8.396 -17.259 -5.500 1.00 61.52 H new ATOM 0 HA LYS A 90 10.304 -18.365 -5.405 1.00 20.44 H new ATOM 0 HB2 LYS A 90 10.973 -16.327 -4.083 1.00 62.22 H new ATOM 0 HB3 LYS A 90 10.579 -17.184 -2.606 1.00 62.22 H new ATOM 0 HG2 LYS A 90 12.476 -18.644 -4.347 1.00 64.04 H new ATOM 0 HG3 LYS A 90 13.076 -17.089 -3.806 1.00 64.04 H new ATOM 0 HD2 LYS A 90 12.119 -19.387 -2.055 1.00 73.22 H new ATOM 0 HD3 LYS A 90 13.763 -18.801 -2.218 1.00 73.22 H new ATOM 0 HE2 LYS A 90 11.411 -17.330 -0.969 1.00 23.44 H new ATOM 0 HE3 LYS A 90 12.822 -17.955 -0.139 1.00 23.44 H new ATOM 0 HZ1 LYS A 90 12.964 -15.573 -0.474 1.00 3.44 H new ATOM 0 HZ2 LYS A 90 14.201 -16.363 -1.327 1.00 3.44 H new ATOM 0 HZ3 LYS A 90 12.845 -15.768 -2.157 1.00 3.44 H new ATOM 1484 N THR A 91 9.939 -20.626 -4.538 1.00 54.10 N ATOM 1485 CA THR A 91 9.813 -22.010 -4.042 1.00 32.02 C ATOM 1486 C THR A 91 11.136 -22.787 -4.166 1.00 1.44 C ATOM 1487 O THR A 91 11.291 -23.867 -3.588 1.00 14.05 O ATOM 1488 CB THR A 91 8.694 -22.794 -4.782 1.00 70.21 C ATOM 1489 OG1 THR A 91 9.042 -23.019 -6.158 1.00 45.23 O ATOM 1490 CG2 THR A 91 7.368 -22.042 -4.713 1.00 55.21 C ATOM 0 H THR A 91 10.151 -20.556 -5.533 1.00 54.10 H new ATOM 0 HA THR A 91 9.548 -21.926 -2.988 1.00 32.02 H new ATOM 0 HB THR A 91 8.587 -23.757 -4.283 1.00 70.21 H new ATOM 0 HG1 THR A 91 9.749 -22.394 -6.423 1.00 45.23 H new ATOM 0 HG21 THR A 91 6.600 -22.610 -5.238 1.00 55.21 H new ATOM 0 HG22 THR A 91 7.076 -21.914 -3.671 1.00 55.21 H new ATOM 0 HG23 THR A 91 7.480 -21.064 -5.181 1.00 55.21 H new ATOM 1498 N SER A 92 12.092 -22.240 -4.919 1.00 54.22 N ATOM 1499 CA SER A 92 13.414 -22.866 -5.076 1.00 3.53 C ATOM 1500 C SER A 92 14.371 -22.469 -3.944 1.00 63.40 C ATOM 1501 O SER A 92 14.172 -21.460 -3.264 1.00 1.34 O ATOM 1502 CB SER A 92 14.039 -22.496 -6.431 1.00 4.04 C ATOM 1503 OG SER A 92 13.326 -23.084 -7.509 1.00 23.11 O ATOM 0 H SER A 92 11.979 -21.365 -5.431 1.00 54.22 H new ATOM 0 HA SER A 92 13.261 -23.944 -5.033 1.00 3.53 H new ATOM 0 HB2 SER A 92 14.046 -21.412 -6.546 1.00 4.04 H new ATOM 0 HB3 SER A 92 15.077 -22.826 -6.457 1.00 4.04 H new ATOM 0 HG SER A 92 12.473 -22.617 -7.631 1.00 23.11 H new ATOM 1509 N ALA A 93 15.410 -23.277 -3.742 1.00 63.30 N ATOM 1510 CA ALA A 93 16.414 -23.015 -2.706 1.00 5.34 C ATOM 1511 C ALA A 93 17.827 -23.417 -3.165 1.00 65.43 C ATOM 1512 O ALA A 93 18.743 -23.534 -2.351 1.00 33.24 O ATOM 1513 CB ALA A 93 16.042 -23.754 -1.424 1.00 65.41 C ATOM 0 H ALA A 93 15.581 -24.124 -4.284 1.00 63.30 H new ATOM 0 HA ALA A 93 16.426 -21.942 -2.515 1.00 5.34 H new ATOM 0 HB1 ALA A 93 16.792 -23.555 -0.659 1.00 65.41 H new ATOM 0 HB2 ALA A 93 15.068 -23.410 -1.076 1.00 65.41 H new ATOM 0 HB3 ALA A 93 16.000 -24.825 -1.621 1.00 65.41 H new ATOM 1519 N HIS A 94 18.003 -23.621 -4.474 1.00 52.14 N ATOM 1520 CA HIS A 94 19.310 -24.010 -5.035 1.00 0.34 C ATOM 1521 C HIS A 94 19.953 -22.851 -5.818 1.00 64.21 C ATOM 1522 O HIS A 94 19.255 -22.048 -6.441 1.00 20.12 O ATOM 1523 CB HIS A 94 19.159 -25.249 -5.935 1.00 10.54 C ATOM 1524 CG HIS A 94 18.837 -26.507 -5.180 1.00 43.22 C ATOM 1525 ND1 HIS A 94 19.485 -27.705 -5.394 1.00 34.20 N ATOM 1526 CD2 HIS A 94 17.927 -26.751 -4.206 1.00 1.15 C ATOM 1527 CE1 HIS A 94 18.991 -28.623 -4.591 1.00 11.41 C ATOM 1528 NE2 HIS A 94 18.048 -28.070 -3.861 1.00 12.12 N ATOM 0 H HIS A 94 17.261 -23.525 -5.168 1.00 52.14 H new ATOM 0 HA HIS A 94 19.971 -24.257 -4.204 1.00 0.34 H new ATOM 0 HB2 HIS A 94 18.372 -25.063 -6.666 1.00 10.54 H new ATOM 0 HB3 HIS A 94 20.084 -25.397 -6.493 1.00 10.54 H new ATOM 0 HD2 HIS A 94 17.236 -26.038 -3.781 1.00 1.15 H new ATOM 0 HE1 HIS A 94 19.306 -29.655 -4.540 1.00 11.41 H new ATOM 0 HE2 HIS A 94 17.494 -28.548 -3.150 1.00 12.12 H new ATOM 1537 N GLY A 95 21.285 -22.781 -5.789 1.00 33.23 N ATOM 1538 CA GLY A 95 22.013 -21.680 -6.421 1.00 10.42 C ATOM 1539 C GLY A 95 22.106 -21.786 -7.942 1.00 32.14 C ATOM 1540 O GLY A 95 23.197 -21.924 -8.499 1.00 14.14 O ATOM 0 H GLY A 95 21.881 -23.473 -5.335 1.00 33.23 H new ATOM 0 HA2 GLY A 95 21.525 -20.740 -6.162 1.00 10.42 H new ATOM 0 HA3 GLY A 95 23.021 -21.641 -6.008 1.00 10.42 H new ATOM 1544 N ILE A 96 20.959 -21.716 -8.612 1.00 63.24 N ATOM 1545 CA ILE A 96 20.906 -21.717 -10.076 1.00 4.41 C ATOM 1546 C ILE A 96 20.311 -20.394 -10.606 1.00 73.34 C ATOM 1547 O ILE A 96 19.110 -20.151 -10.489 1.00 11.54 O ATOM 1548 CB ILE A 96 20.091 -22.926 -10.619 1.00 52.14 C ATOM 1549 CG1 ILE A 96 18.706 -23.011 -9.944 1.00 74.31 C ATOM 1550 CG2 ILE A 96 20.871 -24.228 -10.423 1.00 62.33 C ATOM 1551 CD1 ILE A 96 17.840 -24.151 -10.452 1.00 1.32 C ATOM 0 H ILE A 96 20.045 -21.657 -8.162 1.00 63.24 H new ATOM 0 HA ILE A 96 21.930 -21.811 -10.436 1.00 4.41 H new ATOM 0 HB ILE A 96 19.932 -22.776 -11.687 1.00 52.14 H new ATOM 0 HG12 ILE A 96 18.844 -23.124 -8.869 1.00 74.31 H new ATOM 0 HG13 ILE A 96 18.179 -22.070 -10.101 1.00 74.31 H new ATOM 0 HG21 ILE A 96 20.287 -25.064 -10.808 1.00 62.33 H new ATOM 0 HG22 ILE A 96 21.818 -24.169 -10.960 1.00 62.33 H new ATOM 0 HG23 ILE A 96 21.065 -24.380 -9.361 1.00 62.33 H new ATOM 0 HD11 ILE A 96 16.884 -24.143 -9.929 1.00 1.32 H new ATOM 0 HD12 ILE A 96 17.669 -24.029 -11.522 1.00 1.32 H new ATOM 0 HD13 ILE A 96 18.345 -25.100 -10.271 1.00 1.32 H new ATOM 1563 N PRO A 97 21.158 -19.502 -11.164 1.00 13.22 N ATOM 1564 CA PRO A 97 20.730 -18.174 -11.690 1.00 61.44 C ATOM 1565 C PRO A 97 19.701 -18.204 -12.859 1.00 71.43 C ATOM 1566 O PRO A 97 19.657 -17.275 -13.668 1.00 61.23 O ATOM 1567 CB PRO A 97 22.055 -17.548 -12.167 1.00 42.02 C ATOM 1568 CG PRO A 97 23.120 -18.271 -11.415 1.00 64.02 C ATOM 1569 CD PRO A 97 22.621 -19.679 -11.267 1.00 13.52 C ATOM 0 HA PRO A 97 20.197 -17.622 -10.915 1.00 61.44 H new ATOM 0 HB2 PRO A 97 22.182 -17.667 -13.243 1.00 42.02 H new ATOM 0 HB3 PRO A 97 22.083 -16.478 -11.959 1.00 42.02 H new ATOM 0 HG2 PRO A 97 24.067 -18.245 -11.954 1.00 64.02 H new ATOM 0 HG3 PRO A 97 23.294 -17.812 -10.442 1.00 64.02 H new ATOM 0 HD2 PRO A 97 22.894 -20.296 -12.123 1.00 13.52 H new ATOM 0 HD3 PRO A 97 23.033 -20.162 -10.381 1.00 13.52 H new ATOM 1577 N MET A 98 18.871 -19.243 -12.937 1.00 22.40 N ATOM 1578 CA MET A 98 17.787 -19.316 -13.924 1.00 52.13 C ATOM 1579 C MET A 98 16.799 -20.427 -13.544 1.00 0.00 C ATOM 1580 O MET A 98 17.142 -21.337 -12.789 1.00 73.32 O ATOM 1581 CB MET A 98 18.338 -19.582 -15.334 1.00 42.14 C ATOM 1582 CG MET A 98 19.043 -20.924 -15.477 1.00 33.14 C ATOM 1583 SD MET A 98 19.540 -21.275 -17.176 1.00 12.13 S ATOM 1584 CE MET A 98 20.618 -19.884 -17.518 1.00 64.33 C ATOM 0 H MET A 98 18.928 -20.055 -12.323 1.00 22.40 H new ATOM 0 HA MET A 98 17.273 -18.355 -13.927 1.00 52.13 H new ATOM 0 HB2 MET A 98 17.517 -19.536 -16.049 1.00 42.14 H new ATOM 0 HB3 MET A 98 19.035 -18.786 -15.597 1.00 42.14 H new ATOM 0 HG2 MET A 98 19.924 -20.937 -14.836 1.00 33.14 H new ATOM 0 HG3 MET A 98 18.382 -21.716 -15.126 1.00 33.14 H new ATOM 0 HE1 MET A 98 21.339 -20.163 -18.287 1.00 64.33 H new ATOM 0 HE2 MET A 98 20.023 -19.040 -17.867 1.00 64.33 H new ATOM 0 HE3 MET A 98 21.149 -19.603 -16.608 1.00 64.33 H new ATOM 1594 N ILE A 99 15.583 -20.372 -14.077 1.00 44.32 N ATOM 1595 CA ILE A 99 14.584 -21.427 -13.831 1.00 21.04 C ATOM 1596 C ILE A 99 14.864 -22.686 -14.685 1.00 53.51 C ATOM 1597 O ILE A 99 13.955 -23.272 -15.285 1.00 62.34 O ATOM 1598 CB ILE A 99 13.145 -20.910 -14.098 1.00 43.45 C ATOM 1599 CG1 ILE A 99 13.029 -20.330 -15.518 1.00 35.41 C ATOM 1600 CG2 ILE A 99 12.753 -19.864 -13.053 1.00 23.51 C ATOM 1601 CD1 ILE A 99 11.641 -19.836 -15.870 1.00 1.12 C ATOM 0 H ILE A 99 15.259 -19.616 -14.680 1.00 44.32 H new ATOM 0 HA ILE A 99 14.664 -21.704 -12.780 1.00 21.04 H new ATOM 0 HB ILE A 99 12.457 -21.751 -14.019 1.00 43.45 H new ATOM 0 HG12 ILE A 99 13.734 -19.505 -15.621 1.00 35.41 H new ATOM 0 HG13 ILE A 99 13.325 -21.094 -16.237 1.00 35.41 H new ATOM 0 HG21 ILE A 99 11.741 -19.511 -13.253 1.00 23.51 H new ATOM 0 HG22 ILE A 99 12.791 -20.310 -12.059 1.00 23.51 H new ATOM 0 HG23 ILE A 99 13.447 -19.024 -13.101 1.00 23.51 H new ATOM 0 HD11 ILE A 99 11.642 -19.442 -16.886 1.00 1.12 H new ATOM 0 HD12 ILE A 99 10.933 -20.662 -15.801 1.00 1.12 H new ATOM 0 HD13 ILE A 99 11.348 -19.048 -15.176 1.00 1.12 H new ATOM 1613 N GLY A 100 16.128 -23.106 -14.701 1.00 41.14 N ATOM 1614 CA GLY A 100 16.552 -24.262 -15.483 1.00 0.10 C ATOM 1615 C GLY A 100 17.905 -24.801 -15.023 1.00 72.42 C ATOM 1616 O GLY A 100 18.100 -25.064 -13.834 1.00 20.34 O ATOM 0 H GLY A 100 16.880 -22.658 -14.177 1.00 41.14 H new ATOM 0 HA2 GLY A 100 15.802 -25.049 -15.402 1.00 0.10 H new ATOM 0 HA3 GLY A 100 16.611 -23.985 -16.536 1.00 0.10 H new ATOM 1620 N GLU A 101 18.850 -24.957 -15.952 1.00 60.43 N ATOM 1621 CA GLU A 101 20.195 -25.444 -15.606 1.00 73.12 C ATOM 1622 C GLU A 101 21.246 -24.323 -15.658 1.00 4.14 C ATOM 1623 O GLU A 101 21.670 -23.904 -16.735 1.00 52.25 O ATOM 1624 CB GLU A 101 20.635 -26.578 -16.545 1.00 62.13 C ATOM 1625 CG GLU A 101 22.037 -27.106 -16.228 1.00 32.33 C ATOM 1626 CD GLU A 101 22.600 -28.007 -17.312 1.00 14.01 C ATOM 1627 OE1 GLU A 101 22.363 -29.232 -17.257 1.00 13.32 O ATOM 1628 OE2 GLU A 101 23.299 -27.496 -18.214 1.00 4.34 O ATOM 0 H GLU A 101 18.715 -24.756 -16.943 1.00 60.43 H new ATOM 0 HA GLU A 101 20.130 -25.818 -14.584 1.00 73.12 H new ATOM 0 HB2 GLU A 101 19.920 -27.398 -16.476 1.00 62.13 H new ATOM 0 HB3 GLU A 101 20.612 -26.220 -17.574 1.00 62.13 H new ATOM 0 HG2 GLU A 101 22.711 -26.262 -16.081 1.00 32.33 H new ATOM 0 HG3 GLU A 101 22.006 -27.657 -15.288 1.00 32.33 H new ATOM 1635 N ALA A 102 21.649 -23.826 -14.493 1.00 73.45 N ATOM 1636 CA ALA A 102 22.793 -22.911 -14.402 1.00 62.41 C ATOM 1637 C ALA A 102 23.774 -23.368 -13.305 1.00 74.11 C ATOM 1638 O ALA A 102 23.631 -22.993 -12.141 1.00 25.04 O ATOM 1639 CB ALA A 102 22.319 -21.484 -14.156 1.00 11.05 C ATOM 0 H ALA A 102 21.206 -24.037 -13.599 1.00 73.45 H new ATOM 0 HA ALA A 102 23.325 -22.930 -15.353 1.00 62.41 H new ATOM 0 HB1 ALA A 102 23.181 -20.820 -14.091 1.00 11.05 H new ATOM 0 HB2 ALA A 102 21.678 -21.167 -14.978 1.00 11.05 H new ATOM 0 HB3 ALA A 102 21.759 -21.443 -13.222 1.00 11.05 H new ATOM 1645 N PRO A 103 24.763 -24.215 -13.658 1.00 42.11 N ATOM 1646 CA PRO A 103 25.748 -24.734 -12.698 1.00 35.25 C ATOM 1647 C PRO A 103 26.997 -23.840 -12.535 1.00 53.31 C ATOM 1648 O PRO A 103 26.999 -22.665 -12.918 1.00 14.30 O ATOM 1649 CB PRO A 103 26.117 -26.081 -13.326 1.00 54.05 C ATOM 1650 CG PRO A 103 26.039 -25.838 -14.799 1.00 40.45 C ATOM 1651 CD PRO A 103 24.981 -24.772 -15.009 1.00 4.23 C ATOM 0 HA PRO A 103 25.347 -24.789 -11.686 1.00 35.25 H new ATOM 0 HB2 PRO A 103 27.116 -26.398 -13.028 1.00 54.05 H new ATOM 0 HB3 PRO A 103 25.428 -26.866 -13.016 1.00 54.05 H new ATOM 0 HG2 PRO A 103 27.002 -25.509 -15.189 1.00 40.45 H new ATOM 0 HG3 PRO A 103 25.777 -26.754 -15.329 1.00 40.45 H new ATOM 0 HD2 PRO A 103 25.319 -24.006 -15.707 1.00 4.23 H new ATOM 0 HD3 PRO A 103 24.064 -25.195 -15.419 1.00 4.23 H new ATOM 1659 N LEU A 104 28.052 -24.413 -11.951 1.00 12.23 N ATOM 1660 CA LEU A 104 29.316 -23.700 -11.701 1.00 42.42 C ATOM 1661 C LEU A 104 29.957 -23.151 -12.995 1.00 52.54 C ATOM 1662 O LEU A 104 30.460 -23.913 -13.823 1.00 2.34 O ATOM 1663 CB LEU A 104 30.303 -24.649 -11.001 1.00 72.15 C ATOM 1664 CG LEU A 104 31.697 -24.069 -10.707 1.00 71.24 C ATOM 1665 CD1 LEU A 104 31.607 -22.904 -9.727 1.00 13.32 C ATOM 1666 CD2 LEU A 104 32.631 -25.155 -10.177 1.00 15.40 C ATOM 0 H LEU A 104 28.059 -25.383 -11.637 1.00 12.23 H new ATOM 0 HA LEU A 104 29.088 -22.843 -11.067 1.00 42.42 H new ATOM 0 HB2 LEU A 104 29.860 -24.974 -10.060 1.00 72.15 H new ATOM 0 HB3 LEU A 104 30.424 -25.538 -11.620 1.00 72.15 H new ATOM 0 HG LEU A 104 32.111 -23.690 -11.641 1.00 71.24 H new ATOM 0 HD11 LEU A 104 32.606 -22.512 -9.536 1.00 13.32 H new ATOM 0 HD12 LEU A 104 30.984 -22.118 -10.153 1.00 13.32 H new ATOM 0 HD13 LEU A 104 31.167 -23.249 -8.791 1.00 13.32 H new ATOM 0 HD21 LEU A 104 33.612 -24.725 -9.975 1.00 15.40 H new ATOM 0 HD22 LEU A 104 32.221 -25.570 -9.257 1.00 15.40 H new ATOM 0 HD23 LEU A 104 32.728 -25.946 -10.920 1.00 15.40 H new ATOM 1678 N GLU A 105 29.940 -21.823 -13.154 1.00 74.31 N ATOM 1679 CA GLU A 105 30.576 -21.158 -14.308 1.00 11.20 C ATOM 1680 C GLU A 105 31.567 -20.065 -13.867 1.00 3.51 C ATOM 1681 O GLU A 105 32.049 -19.283 -14.684 1.00 24.54 O ATOM 1682 CB GLU A 105 29.494 -20.557 -15.231 1.00 41.35 C ATOM 1683 CG GLU A 105 28.483 -19.633 -14.536 1.00 52.50 C ATOM 1684 CD GLU A 105 29.094 -18.331 -14.029 1.00 2.44 C ATOM 1685 OE1 GLU A 105 29.385 -17.443 -14.863 1.00 73.33 O ATOM 1686 OE2 GLU A 105 29.303 -18.200 -12.805 1.00 42.10 O ATOM 0 H GLU A 105 29.493 -21.182 -12.499 1.00 74.31 H new ATOM 0 HA GLU A 105 31.143 -21.911 -14.855 1.00 11.20 H new ATOM 0 HB2 GLU A 105 29.987 -19.997 -16.026 1.00 41.35 H new ATOM 0 HB3 GLU A 105 28.950 -21.373 -15.706 1.00 41.35 H new ATOM 0 HG2 GLU A 105 27.678 -19.400 -15.233 1.00 52.50 H new ATOM 0 HG3 GLU A 105 28.034 -20.165 -13.697 1.00 52.50 H new ATOM 1693 N HIS A 106 31.893 -20.033 -12.576 1.00 12.34 N ATOM 1694 CA HIS A 106 32.683 -18.931 -12.002 1.00 12.43 C ATOM 1695 C HIS A 106 34.149 -18.920 -12.483 1.00 73.34 C ATOM 1696 O HIS A 106 34.910 -18.013 -12.150 1.00 51.23 O ATOM 1697 CB HIS A 106 32.611 -18.971 -10.470 1.00 74.34 C ATOM 1698 CG HIS A 106 31.246 -18.640 -9.938 1.00 53.44 C ATOM 1699 ND1 HIS A 106 30.940 -17.436 -9.339 1.00 34.50 N ATOM 1700 CD2 HIS A 106 30.100 -19.360 -9.925 1.00 71.13 C ATOM 1701 CE1 HIS A 106 29.672 -17.432 -8.981 1.00 24.43 C ATOM 1702 NE2 HIS A 106 29.139 -18.586 -9.324 1.00 11.43 N ATOM 0 H HIS A 106 31.626 -20.753 -11.904 1.00 12.34 H new ATOM 0 HA HIS A 106 32.239 -18.002 -12.361 1.00 12.43 H new ATOM 0 HB2 HIS A 106 32.899 -19.964 -10.124 1.00 74.34 H new ATOM 0 HB3 HIS A 106 33.335 -18.268 -10.059 1.00 74.34 H new ATOM 0 HD2 HIS A 106 29.967 -20.358 -10.315 1.00 71.13 H new ATOM 0 HE1 HIS A 106 29.157 -16.620 -8.489 1.00 24.43 H new ATOM 0 HE2 HIS A 106 28.169 -18.860 -9.168 1.00 11.43 H new ATOM 1711 N HIS A 107 34.541 -19.926 -13.259 1.00 55.35 N ATOM 1712 CA HIS A 107 35.843 -19.923 -13.942 1.00 63.51 C ATOM 1713 C HIS A 107 35.656 -19.832 -15.465 1.00 32.23 C ATOM 1714 O HIS A 107 36.492 -20.295 -16.240 1.00 1.14 O ATOM 1715 CB HIS A 107 36.650 -21.172 -13.565 1.00 34.12 C ATOM 1716 CG HIS A 107 37.123 -21.152 -12.146 1.00 55.42 C ATOM 1717 ND1 HIS A 107 38.252 -20.473 -11.747 1.00 43.14 N ATOM 1718 CD2 HIS A 107 36.611 -21.712 -11.026 1.00 53.11 C ATOM 1719 CE1 HIS A 107 38.415 -20.615 -10.450 1.00 45.23 C ATOM 1720 NE2 HIS A 107 37.434 -21.360 -9.986 1.00 64.24 N ATOM 0 H HIS A 107 33.978 -20.758 -13.435 1.00 55.35 H new ATOM 0 HA HIS A 107 36.401 -19.045 -13.617 1.00 63.51 H new ATOM 0 HB2 HIS A 107 36.035 -22.058 -13.726 1.00 34.12 H new ATOM 0 HB3 HIS A 107 37.511 -21.257 -14.229 1.00 34.12 H new ATOM 0 HD2 HIS A 107 35.722 -22.322 -10.962 1.00 53.11 H new ATOM 0 HE1 HIS A 107 39.218 -20.192 -9.864 1.00 45.23 H new ATOM 0 HE2 HIS A 107 37.306 -21.632 -9.011 1.00 64.24 H new ATOM 1729 N HIS A 108 34.552 -19.205 -15.869 1.00 31.13 N ATOM 1730 CA HIS A 108 34.224 -18.981 -17.283 1.00 62.14 C ATOM 1731 C HIS A 108 35.393 -18.376 -18.086 1.00 51.22 C ATOM 1732 O HIS A 108 36.147 -17.540 -17.582 1.00 2.14 O ATOM 1733 CB HIS A 108 32.988 -18.067 -17.382 1.00 33.21 C ATOM 1734 CG HIS A 108 33.019 -16.892 -16.439 1.00 2.10 C ATOM 1735 ND1 HIS A 108 32.056 -16.673 -15.481 1.00 72.02 N ATOM 1736 CD2 HIS A 108 33.907 -15.877 -16.305 1.00 41.55 C ATOM 1737 CE1 HIS A 108 32.344 -15.584 -14.804 1.00 41.45 C ATOM 1738 NE2 HIS A 108 33.465 -15.078 -15.279 1.00 70.22 N ATOM 0 H HIS A 108 33.854 -18.835 -15.224 1.00 31.13 H new ATOM 0 HA HIS A 108 34.015 -19.955 -17.725 1.00 62.14 H new ATOM 0 HB2 HIS A 108 32.903 -17.698 -18.404 1.00 33.21 H new ATOM 0 HB3 HIS A 108 32.094 -18.658 -17.181 1.00 33.21 H new ATOM 0 HD1 HIS A 108 31.242 -17.266 -15.321 1.00 72.02 H new ATOM 0 HD2 HIS A 108 34.798 -15.725 -16.896 1.00 41.55 H new ATOM 0 HE1 HIS A 108 31.760 -15.172 -13.994 1.00 41.45 H new ATOM 1747 N HIS A 109 35.526 -18.816 -19.341 1.00 30.51 N ATOM 1748 CA HIS A 109 36.534 -18.283 -20.274 1.00 75.22 C ATOM 1749 C HIS A 109 37.978 -18.473 -19.772 1.00 2.31 C ATOM 1750 O HIS A 109 38.878 -17.721 -20.147 1.00 2.23 O ATOM 1751 CB HIS A 109 36.254 -16.799 -20.560 1.00 51.03 C ATOM 1752 CG HIS A 109 34.929 -16.566 -21.218 1.00 1.51 C ATOM 1753 ND1 HIS A 109 33.975 -15.706 -20.719 1.00 44.20 N ATOM 1754 CD2 HIS A 109 34.399 -17.091 -22.348 1.00 1.43 C ATOM 1755 CE1 HIS A 109 32.919 -15.715 -21.507 1.00 72.31 C ATOM 1756 NE2 HIS A 109 33.151 -16.544 -22.501 1.00 2.34 N ATOM 0 H HIS A 109 34.942 -19.550 -19.742 1.00 30.51 H new ATOM 0 HA HIS A 109 36.449 -18.857 -21.197 1.00 75.22 H new ATOM 0 HB2 HIS A 109 36.291 -16.242 -19.624 1.00 51.03 H new ATOM 0 HB3 HIS A 109 37.044 -16.403 -21.198 1.00 51.03 H new ATOM 0 HD2 HIS A 109 34.871 -17.806 -23.005 1.00 1.43 H new ATOM 0 HE1 HIS A 109 32.017 -15.140 -21.361 1.00 72.31 H new ATOM 0 HE2 HIS A 109 32.506 -16.748 -23.264 1.00 2.34 H new ATOM 1765 N HIS A 110 38.199 -19.493 -18.947 1.00 23.04 N ATOM 1766 CA HIS A 110 39.539 -19.800 -18.429 1.00 14.45 C ATOM 1767 C HIS A 110 40.277 -20.810 -19.326 1.00 65.03 C ATOM 1768 O HIS A 110 41.502 -20.927 -19.265 1.00 52.11 O ATOM 1769 CB HIS A 110 39.437 -20.339 -16.995 1.00 34.25 C ATOM 1770 CG HIS A 110 40.746 -20.772 -16.406 1.00 4.14 C ATOM 1771 ND1 HIS A 110 41.804 -19.914 -16.198 1.00 75.31 N ATOM 1772 CD2 HIS A 110 41.167 -21.989 -15.987 1.00 24.44 C ATOM 1773 CE1 HIS A 110 42.814 -20.582 -15.679 1.00 30.23 C ATOM 1774 NE2 HIS A 110 42.455 -21.842 -15.539 1.00 14.13 N ATOM 0 H HIS A 110 37.469 -20.125 -18.619 1.00 23.04 H new ATOM 0 HA HIS A 110 40.117 -18.876 -18.427 1.00 14.45 H new ATOM 0 HB2 HIS A 110 39.003 -19.568 -16.359 1.00 34.25 H new ATOM 0 HB3 HIS A 110 38.749 -21.185 -16.985 1.00 34.25 H new ATOM 0 HD2 HIS A 110 40.595 -22.905 -16.003 1.00 24.44 H new ATOM 0 HE1 HIS A 110 43.775 -20.167 -15.413 1.00 30.23 H new ATOM 0 HE2 HIS A 110 43.040 -22.587 -15.159 1.00 14.13 H new ATOM 1783 N HIS A 111 39.530 -21.550 -20.145 1.00 15.12 N ATOM 1784 CA HIS A 111 40.127 -22.546 -21.045 1.00 61.04 C ATOM 1785 C HIS A 111 40.486 -21.936 -22.419 1.00 13.41 C ATOM 1786 O HIS A 111 41.626 -21.445 -22.577 1.00 36.98 O ATOM 1787 CB HIS A 111 39.168 -23.733 -21.210 1.00 62.34 C ATOM 1788 CG HIS A 111 39.741 -24.875 -21.997 1.00 44.30 C ATOM 1789 ND1 HIS A 111 40.744 -25.690 -21.520 1.00 14.11 N ATOM 1790 CD2 HIS A 111 39.446 -25.340 -23.234 1.00 72.43 C ATOM 1791 CE1 HIS A 111 41.042 -26.599 -22.425 1.00 1.11 C ATOM 1792 NE2 HIS A 111 40.270 -26.412 -23.474 1.00 52.32 N ATOM 1793 OXT HIS A 111 39.635 -21.958 -23.336 1.00 36.98 O ATOM 0 H HIS A 111 38.514 -21.482 -20.207 1.00 15.12 H new ATOM 0 HA HIS A 111 41.058 -22.895 -20.598 1.00 61.04 H new ATOM 0 HB2 HIS A 111 38.880 -24.094 -20.223 1.00 62.34 H new ATOM 0 HB3 HIS A 111 38.259 -23.387 -21.701 1.00 62.34 H new ATOM 0 HD2 HIS A 111 38.701 -24.942 -23.907 1.00 72.43 H new ATOM 0 HE1 HIS A 111 41.793 -27.368 -22.323 1.00 1.11 H new ATOM 0 HE2 HIS A 111 40.282 -26.972 -24.326 1.00 52.32 H new TER 1802 HIS A 111