USER MOD reduce.3.24.130724 H: found=0, std=0, add=1484, rem=0, adj=53 USER MOD reduce.3.24.130724 removed 1486 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 17 HIS : no HD1:sc= -1.69 K(o=-3.5,f=-2.3) USER MOD Set 1.2: B 87 ASN : amide:sc= -1.83 K(o=-3.5,f=-2.3) USER MOD Set 2.1: A 80 SER OG : rot -78:sc= 0.802 USER MOD Set 2.2: B 80 SER OG : rot -78:sc= 0.781 USER MOD Set 3.1: B 56 GLN : amide:sc= -1.31 K(o=-6.3,f=-2) USER MOD Set 3.2: B 59 MET CE :methyl 169:sc= -2.88 (180deg=-1.45) USER MOD Set 3.3: B 68 ASN : amide:sc= -2.14! K(o=-6.3!,f=-2) USER MOD Set 4.1: B 30 ASN : amide:sc= -2.91! C(o=-2.5!,f=-0.2!) USER MOD Set 4.2: B 32 SER OG : rot 101:sc= 0.363 USER MOD Set 5.1: A 87 ASN : amide:sc= -1.63 K(o=-3.4,f=-2.3) USER MOD Set 5.2: B 17 HIS : no HD1:sc= -1.75 K(o=-3.4,f=-2.3) USER MOD Set 6.1: A 56 GLN : amide:sc= -1.23 K(o=-6.2,f=-2.1) USER MOD Set 6.2: A 59 MET CE :methyl 173:sc= -2.88 (180deg=-1.51) USER MOD Set 6.3: A 68 ASN : amide:sc= -2.05! K(o=-6.2!,f=-2.1) USER MOD Set 7.1: A 30 ASN : amide:sc= -2.94! C(o=-2.6!,f=-0.44!) USER MOD Set 7.2: A 32 SER OG : rot 100:sc= 0.344 USER MOD Single : A 3 SER OG : rot 16:sc= 0.733 USER MOD Single : A 7 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.238) USER MOD Single : A 12 MET CE :methyl 145:sc= -1.18 (180deg=-2.17!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -176:sc= -1.07 USER MOD Single : A 18 LYS NZ :NH3+ -150:sc= 1.27 (180deg=1.12) USER MOD Single : A 19 TYR OH : rot 25:sc= 2.21 USER MOD Single : A 20 SER OG : rot 145:sc= 1.43 USER MOD Single : A 22 LYS NZ :NH3+ -129:sc= 1.93 (180deg=-1.27) USER MOD Single : A 26 LYS NZ :NH3+ -130:sc= -0.352 (180deg=-1.53!) USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00217) USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -19:sc= 0.526 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 18:sc= 0.886 USER MOD Single : A 57 LYS NZ :NH3+ 160:sc= -0.0338 (180deg=-0.5) USER MOD Single : A 60 SER OG : rot 11:sc= 1.14 USER MOD Single : A 61 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 64 SER OG : rot 180:sc=-0.000818 USER MOD Single : A 65 ASN : amide:sc= -1.21 X(o=-1.2,f=-1.2) USER MOD Single : A 73 GLN : amide:sc= -4.25! K(o=-4.3!,f=-0.12) USER MOD Single : A 75 TYR OH : rot -97:sc=-0.00902! USER MOD Single : A 76 SER OG : rot 50:sc= -0.386 USER MOD Single : A 81 SER OG : rot 180:sc= 0 USER MOD Single : A 84 MET CE :methyl -122:sc= -1.89! (180deg=-1.97) USER MOD Single : A 85 MET CE :methyl -136:sc= -0.143 (180deg=-0.658) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 96 LYS NZ :NH3+ 139:sc= 2.1 (180deg=0.53) USER MOD Single : B 3 SER OG : rot 28:sc= 0.824 USER MOD Single : B 7 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.252) USER MOD Single : B 12 MET CE :methyl 145:sc= -1.19 (180deg=-2.12!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot -170:sc= -1.08 USER MOD Single : B 18 LYS NZ :NH3+ 178:sc= 1.19 (180deg=1.09) USER MOD Single : B 19 TYR OH : rot 23:sc= 2.3 USER MOD Single : B 20 SER OG : rot 151:sc= 1.42 USER MOD Single : B 22 LYS NZ :NH3+ -131:sc= 2.09 (180deg=-1.05) USER MOD Single : B 26 LYS NZ :NH3+ -128:sc= -0.348 (180deg=-1.58!) USER MOD Single : B 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 39 THR OG1 : rot -20:sc= 0.52 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 18:sc= 0.748 USER MOD Single : B 57 LYS NZ :NH3+ 159:sc= -0.06 (180deg=-0.534) USER MOD Single : B 60 SER OG : rot -2:sc= 1.06 USER MOD Single : B 61 ASN : amide:sc= -1.22 X(o=-1.2,f=-1.2) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN : amide:sc= -1.38 X(o=-1.4,f=-1.2) USER MOD Single : B 73 GLN : amide:sc= -4.36! K(o=-4.4!,f=-0.095) USER MOD Single : B 75 TYR OH : rot -114:sc= -0.0566! USER MOD Single : B 76 SER OG : rot 50:sc= -0.397 USER MOD Single : B 81 SER OG : rot 180:sc= 0 USER MOD Single : B 84 MET CE :methyl -118:sc= -1.96! (180deg=-2.21) USER MOD Single : B 85 MET CE :methyl -160:sc= -0.143 (180deg=-0.649) USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD Single : B 96 LYS NZ :NH3+ 148:sc= 2.06 (180deg=0.474) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.023 3.134 13.461 1.00 0.79 N ATOM 31 CA SER A 3 -7.412 4.282 14.126 1.00 0.78 C ATOM 32 C SER A 3 -5.985 4.552 13.569 1.00 0.65 C ATOM 33 O SER A 3 -5.715 4.208 12.428 1.00 0.83 O ATOM 34 CB SER A 3 -7.412 3.957 15.622 1.00 0.97 C ATOM 35 OG SER A 3 -8.532 3.154 15.960 1.00 1.18 O ATOM 0 HA SER A 3 -7.968 5.201 13.943 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.492 3.436 15.886 1.00 0.97 H new ATOM 0 HB3 SER A 3 -7.433 4.881 16.200 1.00 0.97 H new ATOM 0 HG SER A 3 -8.916 2.769 15.145 1.00 1.18 H new ATOM 41 N PRO A 4 -5.085 5.278 14.277 1.00 0.67 N ATOM 42 CA PRO A 4 -3.676 5.443 13.876 1.00 0.62 C ATOM 43 C PRO A 4 -3.017 4.291 13.069 1.00 0.46 C ATOM 44 O PRO A 4 -1.935 4.491 12.561 1.00 0.50 O ATOM 45 CB PRO A 4 -2.996 5.609 15.223 1.00 0.79 C ATOM 46 CG PRO A 4 -3.952 6.452 15.990 1.00 0.96 C ATOM 47 CD PRO A 4 -5.334 6.070 15.511 1.00 0.87 C ATOM 0 HA PRO A 4 -3.584 6.267 13.168 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -2.828 4.648 15.709 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -2.023 6.091 15.125 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -3.850 6.279 17.061 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -3.760 7.511 15.819 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -5.867 5.484 16.260 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -5.941 6.951 15.303 1.00 0.87 H new ATOM 55 N LEU A 5 -3.621 3.095 12.978 1.00 0.36 N ATOM 56 CA LEU A 5 -3.063 2.016 12.151 1.00 0.32 C ATOM 57 C LEU A 5 -2.961 2.420 10.688 1.00 0.30 C ATOM 58 O LEU A 5 -1.914 2.243 10.074 1.00 0.32 O ATOM 59 CB LEU A 5 -3.886 0.733 12.253 1.00 0.31 C ATOM 60 CG LEU A 5 -3.543 -0.357 11.221 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.493 -1.712 11.899 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.565 -0.387 10.089 1.00 0.27 C ATOM 0 H LEU A 5 -4.486 2.854 13.462 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.063 1.828 12.541 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.756 0.317 13.252 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -4.940 0.989 12.149 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.567 -0.124 10.795 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -3.250 -2.478 11.163 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.730 -1.701 12.677 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.463 -1.932 12.345 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.296 -1.167 9.376 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.554 -0.594 10.497 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.576 0.579 9.583 1.00 0.27 H new ATOM 74 N GLU A 6 -4.035 2.950 10.114 1.00 0.34 N ATOM 75 CA GLU A 6 -3.980 3.349 8.718 1.00 0.42 C ATOM 76 C GLU A 6 -3.000 4.512 8.555 1.00 0.33 C ATOM 77 O GLU A 6 -2.269 4.639 7.567 1.00 0.31 O ATOM 78 CB GLU A 6 -5.347 3.726 8.176 1.00 0.62 C ATOM 79 CG GLU A 6 -6.271 2.539 7.967 1.00 1.80 C ATOM 80 CD GLU A 6 -5.780 1.576 6.903 1.00 2.84 C ATOM 81 OE1 GLU A 6 -4.998 0.665 7.240 1.00 3.61 O ATOM 82 OE2 GLU A 6 -6.180 1.729 5.731 1.00 3.32 O ATOM 0 H GLU A 6 -4.929 3.109 10.579 1.00 0.34 H new ATOM 0 HA GLU A 6 -3.633 2.493 8.139 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -5.820 4.426 8.864 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.220 4.248 7.227 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -6.381 2.003 8.910 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -7.261 2.902 7.690 1.00 1.80 H new ATOM 89 N LYS A 7 -2.977 5.357 9.564 1.00 0.35 N ATOM 90 CA LYS A 7 -2.017 6.441 9.632 1.00 0.36 C ATOM 91 C LYS A 7 -0.628 5.885 9.952 1.00 0.32 C ATOM 92 O LYS A 7 0.375 6.571 9.807 1.00 0.35 O ATOM 93 CB LYS A 7 -2.465 7.501 10.639 1.00 0.44 C ATOM 94 CG LYS A 7 -3.861 8.078 10.365 1.00 0.63 C ATOM 95 CD LYS A 7 -3.953 8.853 9.043 1.00 0.79 C ATOM 96 CE LYS A 7 -4.158 7.940 7.838 1.00 1.78 C ATOM 97 NZ LYS A 7 -3.694 8.574 6.574 1.00 2.82 N ATOM 0 H LYS A 7 -3.618 5.314 10.356 1.00 0.35 H new ATOM 0 HA LYS A 7 -1.961 6.935 8.662 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -2.454 7.065 11.638 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -1.741 8.316 10.639 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.586 7.264 10.351 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -4.140 8.739 11.185 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -4.778 9.563 9.100 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -3.041 9.434 8.903 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -3.618 7.006 7.995 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -5.215 7.687 7.750 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -3.465 7.835 5.879 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -4.446 9.185 6.195 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -2.846 9.146 6.763 1.00 2.82 H new ATOM 111 N ALA A 8 -0.588 4.653 10.437 1.00 0.29 N ATOM 112 CA ALA A 8 0.664 3.952 10.674 1.00 0.29 C ATOM 113 C ALA A 8 1.232 3.421 9.369 1.00 0.27 C ATOM 114 O ALA A 8 2.437 3.229 9.255 1.00 0.28 O ATOM 115 CB ALA A 8 0.495 2.827 11.678 1.00 0.32 C ATOM 0 H ALA A 8 -1.420 4.113 10.676 1.00 0.29 H new ATOM 0 HA ALA A 8 1.368 4.668 11.098 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.452 2.327 11.829 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.145 3.235 12.626 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.234 2.109 11.301 1.00 0.32 H new ATOM 121 N LEU A 9 0.371 3.170 8.382 1.00 0.26 N ATOM 122 CA LEU A 9 0.876 2.947 7.023 1.00 0.26 C ATOM 123 C LEU A 9 1.537 4.242 6.563 1.00 0.26 C ATOM 124 O LEU A 9 2.523 4.252 5.833 1.00 0.26 O ATOM 125 CB LEU A 9 -0.217 2.562 6.013 1.00 0.26 C ATOM 126 CG LEU A 9 -1.519 2.015 6.588 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.520 1.763 5.476 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.302 0.746 7.392 1.00 0.27 C ATOM 0 H LEU A 9 -0.642 3.117 8.487 1.00 0.26 H new ATOM 0 HA LEU A 9 1.571 2.108 7.059 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.453 3.442 5.415 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.195 1.816 5.334 1.00 0.26 H new ATOM 0 HG LEU A 9 -1.914 2.769 7.268 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.445 1.373 5.901 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.726 2.697 4.954 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.109 1.038 4.774 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.257 0.394 7.781 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -0.867 -0.021 6.751 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.626 0.952 8.222 1.00 0.27 H new ATOM 140 N ASP A 10 0.973 5.349 7.013 1.00 0.27 N ATOM 141 CA ASP A 10 1.601 6.656 6.797 1.00 0.29 C ATOM 142 C ASP A 10 2.923 6.729 7.575 1.00 0.27 C ATOM 143 O ASP A 10 3.920 7.301 7.114 1.00 0.28 O ATOM 144 CB ASP A 10 0.662 7.785 7.228 1.00 0.33 C ATOM 145 CG ASP A 10 1.181 9.157 6.861 1.00 0.38 C ATOM 146 OD1 ASP A 10 1.938 9.750 7.660 1.00 1.18 O ATOM 147 OD2 ASP A 10 0.813 9.659 5.780 1.00 1.16 O ATOM 0 H ASP A 10 0.092 5.378 7.525 1.00 0.27 H new ATOM 0 HA ASP A 10 1.807 6.777 5.733 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.313 7.636 6.765 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.514 7.735 8.307 1.00 0.33 H new ATOM 152 N VAL A 11 2.936 6.115 8.752 1.00 0.27 N ATOM 153 CA VAL A 11 4.154 5.985 9.533 1.00 0.27 C ATOM 154 C VAL A 11 5.157 5.103 8.789 1.00 0.27 C ATOM 155 O VAL A 11 6.355 5.211 9.000 1.00 0.29 O ATOM 156 CB VAL A 11 3.869 5.410 10.939 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.157 5.164 11.706 1.00 0.31 C ATOM 158 CG2 VAL A 11 2.965 6.345 11.724 1.00 0.31 C ATOM 0 H VAL A 11 2.112 5.699 9.185 1.00 0.27 H new ATOM 0 HA VAL A 11 4.579 6.980 9.666 1.00 0.27 H new ATOM 0 HB VAL A 11 3.363 4.454 10.809 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.923 4.760 12.691 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.776 4.452 11.159 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.698 6.103 11.819 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.775 5.924 12.711 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.450 7.315 11.831 1.00 0.31 H new ATOM 0 HG23 VAL A 11 2.020 6.468 11.194 1.00 0.31 H new ATOM 168 N MET A 12 4.658 4.240 7.911 1.00 0.26 N ATOM 169 CA MET A 12 5.517 3.467 7.017 1.00 0.29 C ATOM 170 C MET A 12 6.257 4.398 6.054 1.00 0.29 C ATOM 171 O MET A 12 7.411 4.151 5.697 1.00 0.34 O ATOM 172 CB MET A 12 4.707 2.408 6.250 1.00 0.32 C ATOM 173 CG MET A 12 5.166 2.201 4.816 1.00 0.98 C ATOM 174 SD MET A 12 4.430 3.381 3.658 1.00 2.23 S ATOM 175 CE MET A 12 5.422 3.108 2.196 1.00 2.75 C ATOM 0 H MET A 12 3.661 4.057 7.798 1.00 0.26 H new ATOM 0 HA MET A 12 6.256 2.941 7.621 1.00 0.29 H new ATOM 0 HB2 MET A 12 4.772 1.459 6.782 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.657 2.700 6.246 1.00 0.32 H new ATOM 0 HG2 MET A 12 6.252 2.287 4.772 1.00 0.98 H new ATOM 0 HG3 MET A 12 4.914 1.188 4.503 1.00 0.98 H new ATOM 0 HE1 MET A 12 4.801 3.225 1.308 1.00 2.75 H new ATOM 0 HE2 MET A 12 6.236 3.833 2.168 1.00 2.75 H new ATOM 0 HE3 MET A 12 5.835 2.100 2.220 1.00 2.75 H new ATOM 185 N VAL A 13 5.590 5.469 5.625 1.00 0.29 N ATOM 186 CA VAL A 13 6.264 6.517 4.860 1.00 0.31 C ATOM 187 C VAL A 13 7.459 7.041 5.662 1.00 0.27 C ATOM 188 O VAL A 13 8.532 7.325 5.115 1.00 0.27 O ATOM 189 CB VAL A 13 5.311 7.689 4.505 1.00 0.37 C ATOM 190 CG1 VAL A 13 6.063 8.815 3.811 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.161 7.213 3.625 1.00 0.42 C ATOM 0 H VAL A 13 4.597 5.633 5.791 1.00 0.29 H new ATOM 0 HA VAL A 13 6.603 6.080 3.921 1.00 0.31 H new ATOM 0 HB VAL A 13 4.900 8.070 5.440 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.371 9.623 3.574 1.00 0.41 H new ATOM 0 HG12 VAL A 13 6.846 9.190 4.470 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.512 8.440 2.891 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.509 8.055 3.392 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.559 6.795 2.700 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.591 6.448 4.153 1.00 0.42 H new ATOM 201 N SER A 14 7.275 7.137 6.973 1.00 0.26 N ATOM 202 CA SER A 14 8.367 7.514 7.869 1.00 0.26 C ATOM 203 C SER A 14 9.376 6.370 8.020 1.00 0.25 C ATOM 204 O SER A 14 10.582 6.607 8.082 1.00 0.26 O ATOM 205 CB SER A 14 7.808 7.920 9.233 1.00 0.31 C ATOM 206 OG SER A 14 6.722 8.822 9.084 1.00 1.18 O ATOM 0 H SER A 14 6.386 6.961 7.440 1.00 0.26 H new ATOM 0 HA SER A 14 8.890 8.365 7.434 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.479 7.033 9.775 1.00 0.31 H new ATOM 0 HB3 SER A 14 8.593 8.384 9.829 1.00 0.31 H new ATOM 0 HG SER A 14 6.378 9.068 9.968 1.00 1.18 H new ATOM 212 N THR A 15 8.872 5.137 8.070 1.00 0.28 N ATOM 213 CA THR A 15 9.702 3.938 8.059 1.00 0.32 C ATOM 214 C THR A 15 10.744 4.035 6.945 1.00 0.28 C ATOM 215 O THR A 15 11.931 3.740 7.138 1.00 0.29 O ATOM 216 CB THR A 15 8.827 2.686 7.839 1.00 0.45 C ATOM 217 OG1 THR A 15 7.944 2.504 8.955 1.00 0.59 O ATOM 218 CG2 THR A 15 9.672 1.440 7.641 1.00 0.93 C ATOM 0 H THR A 15 7.872 4.944 8.119 1.00 0.28 H new ATOM 0 HA THR A 15 10.208 3.855 9.021 1.00 0.32 H new ATOM 0 HB THR A 15 8.244 2.842 6.932 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.436 1.674 8.838 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.021 0.579 7.489 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.312 1.569 6.768 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.291 1.276 8.523 1.00 0.93 H new ATOM 226 N PHE A 16 10.283 4.485 5.785 1.00 0.27 N ATOM 227 CA PHE A 16 11.139 4.635 4.627 1.00 0.27 C ATOM 228 C PHE A 16 12.215 5.704 4.840 1.00 0.29 C ATOM 229 O PHE A 16 13.396 5.440 4.606 1.00 0.37 O ATOM 230 CB PHE A 16 10.308 4.957 3.389 1.00 0.34 C ATOM 231 CG PHE A 16 11.115 4.940 2.129 1.00 0.83 C ATOM 232 CD1 PHE A 16 11.818 6.058 1.728 1.00 1.73 C ATOM 233 CD2 PHE A 16 11.179 3.801 1.355 1.00 1.65 C ATOM 234 CE1 PHE A 16 12.568 6.043 0.578 1.00 2.34 C ATOM 235 CE2 PHE A 16 11.931 3.778 0.204 1.00 2.27 C ATOM 236 CZ PHE A 16 12.626 4.903 -0.183 1.00 2.36 C ATOM 0 H PHE A 16 9.312 4.753 5.626 1.00 0.27 H new ATOM 0 HA PHE A 16 11.651 3.684 4.477 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.495 4.235 3.305 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.851 5.939 3.509 1.00 0.34 H new ATOM 0 HD1 PHE A 16 11.778 6.956 2.326 1.00 1.73 H new ATOM 0 HD2 PHE A 16 10.633 2.919 1.655 1.00 1.65 H new ATOM 0 HE1 PHE A 16 13.111 6.926 0.274 1.00 2.34 H new ATOM 0 HE2 PHE A 16 11.977 2.881 -0.395 1.00 2.27 H new ATOM 0 HZ PHE A 16 13.217 4.887 -1.087 1.00 2.36 H new ATOM 246 N HIS A 17 11.811 6.909 5.271 1.00 0.30 N ATOM 247 CA HIS A 17 12.773 7.993 5.559 1.00 0.40 C ATOM 248 C HIS A 17 13.866 7.503 6.492 1.00 0.36 C ATOM 249 O HIS A 17 15.023 7.909 6.390 1.00 0.42 O ATOM 250 CB HIS A 17 12.098 9.197 6.237 1.00 0.59 C ATOM 251 CG HIS A 17 11.395 10.164 5.331 1.00 0.81 C ATOM 252 ND1 HIS A 17 10.021 10.286 5.273 1.00 1.53 N ATOM 253 CD2 HIS A 17 11.888 11.108 4.494 1.00 1.78 C ATOM 254 CE1 HIS A 17 9.702 11.262 4.443 1.00 2.03 C ATOM 255 NE2 HIS A 17 10.816 11.777 3.959 1.00 2.20 N ATOM 0 H HIS A 17 10.835 7.160 5.428 1.00 0.30 H new ATOM 0 HA HIS A 17 13.186 8.298 4.598 1.00 0.40 H new ATOM 0 HB2 HIS A 17 11.376 8.821 6.962 1.00 0.59 H new ATOM 0 HB3 HIS A 17 12.857 9.743 6.797 1.00 0.59 H new ATOM 0 HD2 HIS A 17 12.931 11.299 4.286 1.00 1.78 H new ATOM 0 HE1 HIS A 17 8.700 11.584 4.201 1.00 2.03 H new ATOM 0 HE2 HIS A 17 10.872 12.548 3.294 1.00 2.20 H new ATOM 264 N LYS A 18 13.476 6.624 7.389 1.00 0.34 N ATOM 265 CA LYS A 18 14.348 6.129 8.428 1.00 0.39 C ATOM 266 C LYS A 18 15.509 5.326 7.844 1.00 0.37 C ATOM 267 O LYS A 18 16.667 5.664 8.067 1.00 0.47 O ATOM 268 CB LYS A 18 13.518 5.285 9.385 1.00 0.43 C ATOM 269 CG LYS A 18 14.288 4.701 10.551 1.00 0.55 C ATOM 270 CD LYS A 18 13.367 3.876 11.434 1.00 0.73 C ATOM 271 CE LYS A 18 12.530 2.926 10.595 1.00 0.80 C ATOM 272 NZ LYS A 18 11.771 1.953 11.416 1.00 1.28 N ATOM 0 H LYS A 18 12.536 6.230 7.417 1.00 0.34 H new ATOM 0 HA LYS A 18 14.791 6.967 8.966 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.705 5.898 9.775 1.00 0.43 H new ATOM 0 HB3 LYS A 18 13.061 4.469 8.825 1.00 0.43 H new ATOM 0 HG2 LYS A 18 15.102 4.078 10.182 1.00 0.55 H new ATOM 0 HG3 LYS A 18 14.740 5.503 11.135 1.00 0.55 H new ATOM 0 HD2 LYS A 18 13.957 3.310 12.155 1.00 0.73 H new ATOM 0 HD3 LYS A 18 12.714 4.536 12.005 1.00 0.73 H new ATOM 0 HE2 LYS A 18 11.833 3.503 9.987 1.00 0.80 H new ATOM 0 HE3 LYS A 18 13.181 2.385 9.908 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 11.645 1.070 10.880 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 12.295 1.755 12.292 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 10.839 2.350 11.652 1.00 1.28 H new ATOM 286 N TYR A 19 15.201 4.284 7.077 1.00 0.29 N ATOM 287 CA TYR A 19 16.245 3.422 6.522 1.00 0.29 C ATOM 288 C TYR A 19 16.967 4.074 5.357 1.00 0.33 C ATOM 289 O TYR A 19 18.185 3.973 5.245 1.00 0.44 O ATOM 290 CB TYR A 19 15.685 2.072 6.100 1.00 0.31 C ATOM 291 CG TYR A 19 15.435 1.164 7.271 1.00 0.36 C ATOM 292 CD1 TYR A 19 14.281 1.285 8.016 1.00 1.28 C ATOM 293 CD2 TYR A 19 16.361 0.199 7.643 1.00 1.23 C ATOM 294 CE1 TYR A 19 14.051 0.471 9.097 1.00 1.35 C ATOM 295 CE2 TYR A 19 16.134 -0.622 8.730 1.00 1.26 C ATOM 296 CZ TYR A 19 14.972 -0.478 9.452 1.00 0.62 C ATOM 297 OH TYR A 19 14.721 -1.283 10.535 1.00 0.79 O ATOM 0 H TYR A 19 14.249 4.016 6.827 1.00 0.29 H new ATOM 0 HA TYR A 19 16.971 3.265 7.320 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.753 2.223 5.555 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.382 1.591 5.413 1.00 0.31 H new ATOM 0 HD1 TYR A 19 13.548 2.031 7.745 1.00 1.28 H new ATOM 0 HD2 TYR A 19 17.272 0.089 7.074 1.00 1.23 H new ATOM 0 HE1 TYR A 19 13.141 0.579 9.669 1.00 1.35 H new ATOM 0 HE2 TYR A 19 16.861 -1.369 9.010 1.00 1.26 H new ATOM 0 HH TYR A 19 13.754 -1.342 10.681 1.00 0.79 H new ATOM 307 N SER A 20 16.226 4.742 4.495 1.00 0.29 N ATOM 308 CA SER A 20 16.828 5.417 3.358 1.00 0.32 C ATOM 309 C SER A 20 17.746 6.525 3.845 1.00 0.40 C ATOM 310 O SER A 20 18.822 6.757 3.295 1.00 0.60 O ATOM 311 CB SER A 20 15.739 5.990 2.468 1.00 0.35 C ATOM 312 OG SER A 20 14.756 5.011 2.205 1.00 0.86 O ATOM 0 H SER A 20 15.212 4.833 4.558 1.00 0.29 H new ATOM 0 HA SER A 20 17.415 4.702 2.782 1.00 0.32 H new ATOM 0 HB2 SER A 20 15.282 6.854 2.951 1.00 0.35 H new ATOM 0 HB3 SER A 20 16.172 6.341 1.531 1.00 0.35 H new ATOM 0 HG SER A 20 13.875 5.437 2.154 1.00 0.86 H new ATOM 318 N GLY A 21 17.332 7.173 4.921 1.00 0.37 N ATOM 319 CA GLY A 21 18.102 8.255 5.481 1.00 0.43 C ATOM 320 C GLY A 21 19.278 7.778 6.300 1.00 0.41 C ATOM 321 O GLY A 21 19.860 8.552 7.057 1.00 0.46 O ATOM 0 H GLY A 21 16.467 6.964 5.419 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.463 8.893 4.674 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.455 8.869 6.107 1.00 0.43 H new ATOM 325 N LYS A 22 19.641 6.512 6.154 1.00 0.40 N ATOM 326 CA LYS A 22 20.764 5.981 6.915 1.00 0.46 C ATOM 327 C LYS A 22 22.052 6.180 6.141 1.00 0.52 C ATOM 328 O LYS A 22 23.018 6.759 6.644 1.00 0.65 O ATOM 329 CB LYS A 22 20.588 4.503 7.241 1.00 0.47 C ATOM 330 CG LYS A 22 19.364 4.196 8.082 1.00 0.60 C ATOM 331 CD LYS A 22 19.314 2.733 8.521 1.00 0.56 C ATOM 332 CE LYS A 22 19.526 1.767 7.360 1.00 0.49 C ATOM 333 NZ LYS A 22 20.962 1.447 7.151 1.00 1.08 N ATOM 0 H LYS A 22 19.186 5.845 5.530 1.00 0.40 H new ATOM 0 HA LYS A 22 20.806 6.527 7.858 1.00 0.46 H new ATOM 0 HB2 LYS A 22 20.525 3.941 6.309 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.475 4.150 7.767 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.361 4.838 8.963 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.466 4.433 7.512 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.078 2.558 9.279 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.350 2.530 8.987 1.00 0.56 H new ATOM 0 HE2 LYS A 22 18.974 0.846 7.550 1.00 0.49 H new ATOM 0 HE3 LYS A 22 19.116 2.202 6.448 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.208 1.594 6.151 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 21.546 2.068 7.746 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 21.138 0.455 7.409 1.00 1.08 H new ATOM 347 N GLU A 23 22.051 5.705 4.911 1.00 0.47 N ATOM 348 CA GLU A 23 23.196 5.839 4.038 1.00 0.55 C ATOM 349 C GLU A 23 22.721 5.920 2.596 1.00 0.58 C ATOM 350 O GLU A 23 21.830 5.177 2.189 1.00 0.64 O ATOM 351 CB GLU A 23 24.146 4.657 4.231 1.00 0.67 C ATOM 352 CG GLU A 23 25.441 4.782 3.452 1.00 1.15 C ATOM 353 CD GLU A 23 26.419 3.678 3.774 1.00 1.59 C ATOM 354 OE1 GLU A 23 26.337 2.605 3.144 1.00 2.38 O ATOM 355 OE2 GLU A 23 27.283 3.879 4.653 1.00 1.96 O ATOM 0 H GLU A 23 21.259 5.218 4.492 1.00 0.47 H new ATOM 0 HA GLU A 23 23.738 6.752 4.283 1.00 0.55 H new ATOM 0 HB2 GLU A 23 24.378 4.558 5.291 1.00 0.67 H new ATOM 0 HB3 GLU A 23 23.638 3.741 3.929 1.00 0.67 H new ATOM 0 HG2 GLU A 23 25.222 4.768 2.384 1.00 1.15 H new ATOM 0 HG3 GLU A 23 25.901 5.746 3.671 1.00 1.15 H new ATOM 362 N GLY A 24 23.296 6.840 1.840 1.00 0.72 N ATOM 363 CA GLY A 24 22.872 7.041 0.474 1.00 0.85 C ATOM 364 C GLY A 24 21.823 8.126 0.374 1.00 0.79 C ATOM 365 O GLY A 24 21.962 9.190 0.982 1.00 0.92 O ATOM 0 H GLY A 24 24.051 7.452 2.150 1.00 0.72 H new ATOM 0 HA2 GLY A 24 23.732 7.307 -0.140 1.00 0.85 H new ATOM 0 HA3 GLY A 24 22.472 6.109 0.075 1.00 0.85 H new ATOM 369 N ASP A 25 20.760 7.854 -0.359 1.00 0.71 N ATOM 370 CA ASP A 25 19.697 8.826 -0.547 1.00 0.70 C ATOM 371 C ASP A 25 18.615 8.640 0.502 1.00 0.73 C ATOM 372 O ASP A 25 18.169 7.531 0.757 1.00 1.34 O ATOM 373 CB ASP A 25 19.086 8.701 -1.946 1.00 0.73 C ATOM 374 CG ASP A 25 20.057 9.071 -3.047 1.00 1.04 C ATOM 375 OD1 ASP A 25 20.171 10.274 -3.365 1.00 1.65 O ATOM 376 OD2 ASP A 25 20.703 8.164 -3.608 1.00 1.75 O ATOM 0 H ASP A 25 20.608 6.965 -0.836 1.00 0.71 H new ATOM 0 HA ASP A 25 20.130 9.821 -0.441 1.00 0.70 H new ATOM 0 HB2 ASP A 25 18.745 7.677 -2.098 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.207 9.343 -2.012 1.00 0.73 H new ATOM 381 N LYS A 26 18.171 9.749 1.076 1.00 0.61 N ATOM 382 CA LYS A 26 17.162 9.743 2.129 1.00 0.56 C ATOM 383 C LYS A 26 15.810 9.389 1.531 1.00 0.49 C ATOM 384 O LYS A 26 14.838 9.112 2.236 1.00 0.55 O ATOM 385 CB LYS A 26 17.119 11.132 2.799 1.00 0.71 C ATOM 386 CG LYS A 26 15.872 11.413 3.635 1.00 1.03 C ATOM 387 CD LYS A 26 15.919 10.763 5.014 1.00 0.70 C ATOM 388 CE LYS A 26 16.916 11.460 5.928 1.00 0.94 C ATOM 389 NZ LYS A 26 16.831 10.974 7.333 1.00 1.56 N ATOM 0 H LYS A 26 18.500 10.681 0.825 1.00 0.61 H new ATOM 0 HA LYS A 26 17.412 8.998 2.884 1.00 0.56 H new ATOM 0 HB2 LYS A 26 17.996 11.237 3.438 1.00 0.71 H new ATOM 0 HB3 LYS A 26 17.196 11.894 2.024 1.00 0.71 H new ATOM 0 HG2 LYS A 26 15.755 12.490 3.751 1.00 1.03 H new ATOM 0 HG3 LYS A 26 14.994 11.053 3.099 1.00 1.03 H new ATOM 0 HD2 LYS A 26 14.927 10.794 5.465 1.00 0.70 H new ATOM 0 HD3 LYS A 26 16.190 9.712 4.913 1.00 0.70 H new ATOM 0 HE2 LYS A 26 17.926 11.299 5.551 1.00 0.94 H new ATOM 0 HE3 LYS A 26 16.736 12.535 5.906 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 16.762 11.787 7.978 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 15.989 10.373 7.442 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 17.682 10.422 7.561 1.00 1.56 H new ATOM 403 N PHE A 27 15.775 9.370 0.214 1.00 0.45 N ATOM 404 CA PHE A 27 14.544 9.176 -0.508 1.00 0.44 C ATOM 405 C PHE A 27 14.591 7.881 -1.302 1.00 0.40 C ATOM 406 O PHE A 27 13.679 7.591 -2.079 1.00 0.40 O ATOM 407 CB PHE A 27 14.301 10.367 -1.442 1.00 0.50 C ATOM 408 CG PHE A 27 14.697 11.686 -0.836 1.00 0.78 C ATOM 409 CD1 PHE A 27 13.886 12.321 0.091 1.00 1.76 C ATOM 410 CD2 PHE A 27 15.894 12.286 -1.190 1.00 1.28 C ATOM 411 CE1 PHE A 27 14.263 13.527 0.649 1.00 2.09 C ATOM 412 CE2 PHE A 27 16.273 13.491 -0.637 1.00 1.59 C ATOM 413 CZ PHE A 27 15.455 14.112 0.284 1.00 1.65 C ATOM 0 H PHE A 27 16.597 9.488 -0.379 1.00 0.45 H new ATOM 0 HA PHE A 27 13.722 9.109 0.205 1.00 0.44 H new ATOM 0 HB2 PHE A 27 14.860 10.216 -2.365 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.245 10.400 -1.711 1.00 0.50 H new ATOM 0 HD1 PHE A 27 12.949 11.868 0.380 1.00 1.76 H new ATOM 0 HD2 PHE A 27 16.539 11.803 -1.909 1.00 1.28 H new ATOM 0 HE1 PHE A 27 13.623 14.011 1.372 1.00 2.09 H new ATOM 0 HE2 PHE A 27 17.209 13.948 -0.924 1.00 1.59 H new ATOM 0 HZ PHE A 27 15.749 15.056 0.718 1.00 1.65 H new ATOM 423 N LYS A 28 15.652 7.096 -1.099 1.00 0.39 N ATOM 424 CA LYS A 28 15.813 5.843 -1.816 1.00 0.36 C ATOM 425 C LYS A 28 16.569 4.813 -0.992 1.00 0.34 C ATOM 426 O LYS A 28 17.598 5.104 -0.386 1.00 0.38 O ATOM 427 CB LYS A 28 16.541 6.021 -3.150 1.00 0.40 C ATOM 428 CG LYS A 28 15.915 7.025 -4.100 1.00 0.49 C ATOM 429 CD LYS A 28 16.589 6.972 -5.455 1.00 0.56 C ATOM 430 CE LYS A 28 16.379 8.256 -6.234 1.00 0.86 C ATOM 431 NZ LYS A 28 17.147 8.265 -7.506 1.00 1.70 N ATOM 0 H LYS A 28 16.405 7.310 -0.446 1.00 0.39 H new ATOM 0 HA LYS A 28 14.800 5.489 -2.008 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.567 6.328 -2.947 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.591 5.054 -3.650 1.00 0.40 H new ATOM 0 HG2 LYS A 28 14.851 6.815 -4.209 1.00 0.49 H new ATOM 0 HG3 LYS A 28 16.001 8.029 -3.684 1.00 0.49 H new ATOM 0 HD2 LYS A 28 17.657 6.796 -5.324 1.00 0.56 H new ATOM 0 HD3 LYS A 28 16.195 6.131 -6.025 1.00 0.56 H new ATOM 0 HE2 LYS A 28 15.318 8.380 -6.450 1.00 0.86 H new ATOM 0 HE3 LYS A 28 16.681 9.106 -5.622 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 16.976 9.159 -8.008 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 18.162 8.172 -7.299 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 16.841 7.469 -8.102 1.00 1.70 H new ATOM 445 N LEU A 29 16.054 3.604 -1.000 1.00 0.31 N ATOM 446 CA LEU A 29 16.697 2.483 -0.365 1.00 0.28 C ATOM 447 C LEU A 29 17.586 1.776 -1.358 1.00 0.31 C ATOM 448 O LEU A 29 17.114 1.074 -2.252 1.00 0.33 O ATOM 449 CB LEU A 29 15.663 1.488 0.148 1.00 0.26 C ATOM 450 CG LEU A 29 14.765 1.990 1.261 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.539 1.112 1.353 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.513 1.994 2.580 1.00 0.25 C ATOM 0 H LEU A 29 15.169 3.373 -1.452 1.00 0.31 H new ATOM 0 HA LEU A 29 17.285 2.859 0.472 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.036 1.179 -0.689 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.185 0.598 0.500 1.00 0.26 H new ATOM 0 HG LEU A 29 14.457 3.012 1.040 1.00 0.26 H new ATOM 0 HD11 LEU A 29 12.893 1.472 2.153 1.00 0.28 H new ATOM 0 HD12 LEU A 29 12.998 1.143 0.407 1.00 0.28 H new ATOM 0 HD13 LEU A 29 13.841 0.086 1.565 1.00 0.28 H new ATOM 0 HD21 LEU A 29 14.856 2.357 3.370 1.00 0.25 H new ATOM 0 HD22 LEU A 29 15.839 0.981 2.816 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.383 2.647 2.503 1.00 0.25 H new ATOM 464 N ASN A 30 18.865 1.951 -1.176 1.00 0.32 N ATOM 465 CA ASN A 30 19.856 1.209 -1.918 1.00 0.36 C ATOM 466 C ASN A 30 19.879 -0.198 -1.347 1.00 0.33 C ATOM 467 O ASN A 30 19.291 -0.417 -0.291 1.00 0.30 O ATOM 468 CB ASN A 30 21.198 1.913 -1.766 1.00 0.42 C ATOM 469 CG ASN A 30 21.547 2.122 -0.309 1.00 0.44 C ATOM 470 OD1 ASN A 30 22.284 1.330 0.266 1.00 0.56 O ATOM 471 ND2 ASN A 30 20.975 3.160 0.315 1.00 0.43 N ATOM 0 H ASN A 30 19.255 2.614 -0.507 1.00 0.32 H new ATOM 0 HA ASN A 30 19.630 1.155 -2.983 1.00 0.36 H new ATOM 0 HB2 ASN A 30 21.977 1.323 -2.248 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.166 2.876 -2.276 1.00 0.42 H new ATOM 0 HD21 ASN A 30 21.147 3.316 1.308 1.00 0.43 H new ATOM 0 HD22 ASN A 30 20.368 3.795 -0.203 1.00 0.43 H new ATOM 478 N LYS A 31 20.530 -1.143 -2.018 1.00 0.35 N ATOM 479 CA LYS A 31 20.448 -2.551 -1.607 1.00 0.34 C ATOM 480 C LYS A 31 20.708 -2.728 -0.113 1.00 0.31 C ATOM 481 O LYS A 31 20.015 -3.491 0.556 1.00 0.31 O ATOM 482 CB LYS A 31 21.453 -3.423 -2.353 1.00 0.41 C ATOM 483 CG LYS A 31 21.112 -3.719 -3.797 1.00 0.68 C ATOM 484 CD LYS A 31 21.950 -4.882 -4.303 1.00 0.71 C ATOM 485 CE LYS A 31 21.764 -5.116 -5.789 1.00 1.15 C ATOM 486 NZ LYS A 31 22.474 -4.095 -6.609 1.00 1.99 N ATOM 0 H LYS A 31 21.113 -0.970 -2.837 1.00 0.35 H new ATOM 0 HA LYS A 31 19.432 -2.862 -1.848 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.427 -2.934 -2.321 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.553 -4.369 -1.820 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.052 -3.958 -3.887 1.00 0.68 H new ATOM 0 HG3 LYS A 31 21.293 -2.836 -4.410 1.00 0.68 H new ATOM 0 HD2 LYS A 31 23.002 -4.687 -4.096 1.00 0.71 H new ATOM 0 HD3 LYS A 31 21.681 -5.786 -3.758 1.00 0.71 H new ATOM 0 HE2 LYS A 31 22.132 -6.109 -6.048 1.00 1.15 H new ATOM 0 HE3 LYS A 31 20.701 -5.098 -6.028 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 22.334 -4.302 -7.619 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 22.094 -3.151 -6.394 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 23.490 -4.118 -6.388 1.00 1.99 H new ATOM 500 N SER A 32 21.720 -2.029 0.384 1.00 0.34 N ATOM 501 CA SER A 32 22.099 -2.070 1.795 1.00 0.37 C ATOM 502 C SER A 32 20.895 -1.813 2.678 1.00 0.34 C ATOM 503 O SER A 32 20.471 -2.649 3.482 1.00 0.38 O ATOM 504 CB SER A 32 23.120 -0.967 2.055 1.00 0.45 C ATOM 505 OG SER A 32 24.045 -0.871 0.982 1.00 1.33 O ATOM 0 H SER A 32 22.305 -1.414 -0.181 1.00 0.34 H new ATOM 0 HA SER A 32 22.510 -3.054 2.022 1.00 0.37 H new ATOM 0 HB2 SER A 32 22.607 -0.014 2.185 1.00 0.45 H new ATOM 0 HB3 SER A 32 23.653 -1.171 2.983 1.00 0.45 H new ATOM 0 HG SER A 32 23.787 -0.132 0.392 1.00 1.33 H new ATOM 511 N GLU A 33 20.355 -0.637 2.479 1.00 0.32 N ATOM 512 CA GLU A 33 19.248 -0.127 3.242 1.00 0.35 C ATOM 513 C GLU A 33 17.985 -0.941 2.977 1.00 0.30 C ATOM 514 O GLU A 33 17.198 -1.203 3.887 1.00 0.32 O ATOM 515 CB GLU A 33 19.067 1.328 2.838 1.00 0.45 C ATOM 516 CG GLU A 33 20.060 2.295 3.482 1.00 0.59 C ATOM 517 CD GLU A 33 21.451 1.735 3.702 1.00 1.50 C ATOM 518 OE1 GLU A 33 21.651 1.010 4.693 1.00 2.15 O ATOM 519 OE2 GLU A 33 22.358 2.039 2.906 1.00 2.32 O ATOM 0 H GLU A 33 20.684 0.009 1.761 1.00 0.32 H new ATOM 0 HA GLU A 33 19.443 -0.203 4.312 1.00 0.35 H new ATOM 0 HB2 GLU A 33 19.156 1.404 1.754 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.055 1.640 3.097 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.138 3.183 2.855 1.00 0.59 H new ATOM 0 HG3 GLU A 33 19.659 2.617 4.443 1.00 0.59 H new ATOM 526 N LEU A 34 17.813 -1.331 1.718 1.00 0.30 N ATOM 527 CA LEU A 34 16.722 -2.201 1.301 1.00 0.33 C ATOM 528 C LEU A 34 16.714 -3.485 2.130 1.00 0.29 C ATOM 529 O LEU A 34 15.682 -3.871 2.673 1.00 0.30 O ATOM 530 CB LEU A 34 16.869 -2.535 -0.192 1.00 0.50 C ATOM 531 CG LEU A 34 15.708 -3.314 -0.819 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.465 -2.444 -0.858 1.00 1.01 C ATOM 533 CD2 LEU A 34 16.071 -3.807 -2.221 1.00 0.55 C ATOM 0 H LEU A 34 18.430 -1.050 0.956 1.00 0.30 H new ATOM 0 HA LEU A 34 15.777 -1.683 1.462 1.00 0.33 H new ATOM 0 HB2 LEU A 34 16.995 -1.603 -0.743 1.00 0.50 H new ATOM 0 HB3 LEU A 34 17.784 -3.112 -0.327 1.00 0.50 H new ATOM 0 HG LEU A 34 15.505 -4.191 -0.204 1.00 0.51 H new ATOM 0 HD11 LEU A 34 13.643 -3.003 -1.305 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.195 -2.150 0.156 1.00 1.01 H new ATOM 0 HD13 LEU A 34 14.663 -1.553 -1.453 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.229 -4.357 -2.643 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.303 -2.954 -2.858 1.00 0.55 H new ATOM 0 HD23 LEU A 34 16.940 -4.463 -2.163 1.00 0.55 H new ATOM 545 N LYS A 35 17.877 -4.126 2.231 1.00 0.29 N ATOM 546 CA LYS A 35 18.030 -5.352 3.014 1.00 0.29 C ATOM 547 C LYS A 35 17.522 -5.180 4.432 1.00 0.29 C ATOM 548 O LYS A 35 16.607 -5.881 4.866 1.00 0.31 O ATOM 549 CB LYS A 35 19.497 -5.758 3.100 1.00 0.32 C ATOM 550 CG LYS A 35 20.044 -6.453 1.874 1.00 0.39 C ATOM 551 CD LYS A 35 21.540 -6.663 2.016 1.00 0.52 C ATOM 552 CE LYS A 35 22.061 -7.682 1.028 1.00 0.70 C ATOM 553 NZ LYS A 35 23.525 -7.882 1.169 1.00 1.29 N ATOM 0 H LYS A 35 18.735 -3.813 1.776 1.00 0.29 H new ATOM 0 HA LYS A 35 17.446 -6.118 2.504 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.094 -4.866 3.289 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.626 -6.416 3.959 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.546 -7.413 1.738 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.836 -5.857 0.985 1.00 0.39 H new ATOM 0 HD2 LYS A 35 22.056 -5.715 1.866 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.766 -6.992 3.030 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.547 -8.631 1.179 1.00 0.70 H new ATOM 0 HE3 LYS A 35 21.834 -7.355 0.013 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 23.847 -8.587 0.476 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 24.016 -6.981 1.000 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 23.739 -8.218 2.130 1.00 1.29 H new ATOM 567 N GLU A 36 18.124 -4.238 5.147 1.00 0.29 N ATOM 568 CA GLU A 36 17.837 -4.054 6.559 1.00 0.32 C ATOM 569 C GLU A 36 16.389 -3.699 6.766 1.00 0.31 C ATOM 570 O GLU A 36 15.740 -4.231 7.659 1.00 0.39 O ATOM 571 CB GLU A 36 18.729 -2.981 7.157 1.00 0.36 C ATOM 572 CG GLU A 36 20.188 -3.215 6.861 1.00 0.37 C ATOM 573 CD GLU A 36 21.102 -2.339 7.688 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.302 -1.166 7.328 1.00 1.14 O ATOM 575 OE2 GLU A 36 21.625 -2.819 8.713 1.00 1.31 O ATOM 0 H GLU A 36 18.815 -3.590 4.769 1.00 0.29 H new ATOM 0 HA GLU A 36 18.041 -4.996 7.068 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.433 -2.007 6.766 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.581 -2.949 8.236 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.429 -4.262 7.048 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.374 -3.029 5.803 1.00 0.37 H new ATOM 582 N LEU A 37 15.880 -2.814 5.931 1.00 0.27 N ATOM 583 CA LEU A 37 14.489 -2.440 6.006 1.00 0.26 C ATOM 584 C LEU A 37 13.612 -3.672 5.807 1.00 0.27 C ATOM 585 O LEU A 37 12.724 -3.936 6.597 1.00 0.31 O ATOM 586 CB LEU A 37 14.168 -1.356 4.973 1.00 0.24 C ATOM 587 CG LEU A 37 12.755 -0.788 5.056 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.730 0.671 4.636 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.815 -1.607 4.194 1.00 0.50 C ATOM 0 H LEU A 37 16.410 -2.344 5.197 1.00 0.27 H new ATOM 0 HA LEU A 37 14.282 -2.026 6.993 1.00 0.26 H new ATOM 0 HB2 LEU A 37 14.880 -0.539 5.092 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.320 -1.769 3.976 1.00 0.24 H new ATOM 0 HG LEU A 37 12.421 -0.843 6.092 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.711 1.052 4.704 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.379 1.250 5.293 1.00 0.29 H new ATOM 0 HD13 LEU A 37 13.083 0.760 3.608 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.808 -1.194 4.260 1.00 0.50 H new ATOM 0 HD22 LEU A 37 12.153 -1.577 3.158 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.807 -2.639 4.544 1.00 0.50 H new ATOM 601 N LEU A 38 13.891 -4.451 4.776 1.00 0.27 N ATOM 602 CA LEU A 38 13.109 -5.649 4.509 1.00 0.29 C ATOM 603 C LEU A 38 13.169 -6.635 5.675 1.00 0.31 C ATOM 604 O LEU A 38 12.139 -7.076 6.168 1.00 0.40 O ATOM 605 CB LEU A 38 13.581 -6.318 3.220 1.00 0.32 C ATOM 606 CG LEU A 38 12.766 -5.967 1.971 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.341 -6.473 2.114 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.767 -4.468 1.718 1.00 0.43 C ATOM 0 H LEU A 38 14.647 -4.279 4.114 1.00 0.27 H new ATOM 0 HA LEU A 38 12.070 -5.344 4.389 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.621 -6.043 3.046 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.556 -7.399 3.359 1.00 0.32 H new ATOM 0 HG LEU A 38 13.233 -6.455 1.116 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.773 -6.217 1.220 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.350 -7.556 2.241 1.00 0.31 H new ATOM 0 HD13 LEU A 38 10.876 -6.010 2.984 1.00 0.31 H new ATOM 0 HD21 LEU A 38 12.181 -4.249 0.825 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.330 -3.954 2.574 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.791 -4.124 1.573 1.00 0.43 H new ATOM 620 N THR A 39 14.373 -6.981 6.104 1.00 0.32 N ATOM 621 CA THR A 39 14.559 -7.876 7.246 1.00 0.33 C ATOM 622 C THR A 39 13.864 -7.372 8.521 1.00 0.34 C ATOM 623 O THR A 39 13.271 -8.152 9.266 1.00 0.38 O ATOM 624 CB THR A 39 16.057 -8.072 7.558 1.00 0.33 C ATOM 625 OG1 THR A 39 16.666 -6.818 7.898 1.00 0.32 O ATOM 626 CG2 THR A 39 16.790 -8.672 6.372 1.00 0.35 C ATOM 0 H THR A 39 15.242 -6.656 5.680 1.00 0.32 H new ATOM 0 HA THR A 39 14.103 -8.822 6.954 1.00 0.33 H new ATOM 0 HB THR A 39 16.129 -8.757 8.403 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.103 -6.083 7.577 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.844 -8.799 6.621 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.356 -9.642 6.129 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.698 -8.007 5.513 1.00 0.35 H new ATOM 634 N ARG A 40 13.941 -6.070 8.757 1.00 0.34 N ATOM 635 CA ARG A 40 13.531 -5.474 10.031 1.00 0.37 C ATOM 636 C ARG A 40 12.097 -4.961 10.027 1.00 0.40 C ATOM 637 O ARG A 40 11.387 -5.099 11.024 1.00 0.47 O ATOM 638 CB ARG A 40 14.529 -4.371 10.392 1.00 0.37 C ATOM 639 CG ARG A 40 15.768 -4.908 11.090 1.00 0.63 C ATOM 640 CD ARG A 40 16.895 -3.888 11.126 1.00 0.56 C ATOM 641 NE ARG A 40 16.534 -2.677 11.860 1.00 1.16 N ATOM 642 CZ ARG A 40 17.142 -2.263 12.971 1.00 1.51 C ATOM 643 NH1 ARG A 40 18.124 -2.979 13.506 1.00 1.62 N ATOM 644 NH2 ARG A 40 16.768 -1.129 13.549 1.00 2.31 N ATOM 0 H ARG A 40 14.288 -5.394 8.076 1.00 0.34 H new ATOM 0 HA ARG A 40 13.543 -6.253 10.793 1.00 0.37 H new ATOM 0 HB2 ARG A 40 14.827 -3.845 9.485 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.040 -3.641 11.038 1.00 0.37 H new ATOM 0 HG2 ARG A 40 15.511 -5.199 12.109 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.110 -5.807 10.578 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.774 -4.339 11.587 1.00 0.56 H new ATOM 0 HD3 ARG A 40 17.171 -3.621 10.106 1.00 0.56 H new ATOM 0 HE ARG A 40 15.766 -2.112 11.498 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.417 -3.851 13.066 1.00 1.62 H new ATOM 0 HH12 ARG A 40 18.585 -2.656 14.357 1.00 1.62 H new ATOM 0 HH21 ARG A 40 16.015 -0.574 13.143 1.00 2.31 H new ATOM 0 HH22 ARG A 40 17.234 -0.812 14.399 1.00 2.31 H new ATOM 658 N GLU A 41 11.666 -4.385 8.924 1.00 0.40 N ATOM 659 CA GLU A 41 10.310 -3.874 8.823 1.00 0.46 C ATOM 660 C GLU A 41 9.380 -4.973 8.327 1.00 0.54 C ATOM 661 O GLU A 41 8.213 -5.025 8.684 1.00 0.85 O ATOM 662 CB GLU A 41 10.266 -2.678 7.865 1.00 0.52 C ATOM 663 CG GLU A 41 11.394 -1.667 8.063 1.00 0.53 C ATOM 664 CD GLU A 41 11.575 -1.195 9.494 1.00 0.51 C ATOM 665 OE1 GLU A 41 12.190 -1.919 10.302 1.00 1.02 O ATOM 666 OE2 GLU A 41 11.141 -0.072 9.824 1.00 1.30 O ATOM 0 H GLU A 41 12.232 -4.258 8.085 1.00 0.40 H new ATOM 0 HA GLU A 41 9.981 -3.546 9.809 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.302 -3.048 6.840 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.311 -2.166 7.986 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.328 -2.113 7.720 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.203 -0.801 7.430 1.00 0.53 H new ATOM 673 N LEU A 42 9.903 -5.892 7.533 1.00 0.40 N ATOM 674 CA LEU A 42 9.076 -6.963 6.998 1.00 0.41 C ATOM 675 C LEU A 42 9.666 -8.351 7.266 1.00 0.37 C ATOM 676 O LEU A 42 9.962 -9.095 6.325 1.00 0.36 O ATOM 677 CB LEU A 42 8.869 -6.746 5.501 1.00 0.44 C ATOM 678 CG LEU A 42 8.037 -5.513 5.151 1.00 0.50 C ATOM 679 CD1 LEU A 42 8.218 -5.139 3.698 1.00 0.65 C ATOM 680 CD2 LEU A 42 6.570 -5.767 5.448 1.00 0.74 C ATOM 0 H LEU A 42 10.882 -5.920 7.247 1.00 0.40 H new ATOM 0 HA LEU A 42 8.115 -6.930 7.512 1.00 0.41 H new ATOM 0 HB2 LEU A 42 9.844 -6.660 5.021 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.384 -7.628 5.082 1.00 0.44 H new ATOM 0 HG LEU A 42 8.383 -4.681 5.765 1.00 0.50 H new ATOM 0 HD11 LEU A 42 7.617 -4.259 3.471 1.00 0.65 H new ATOM 0 HD12 LEU A 42 9.268 -4.920 3.507 1.00 0.65 H new ATOM 0 HD13 LEU A 42 7.900 -5.968 3.066 1.00 0.65 H new ATOM 0 HD21 LEU A 42 5.989 -4.881 5.194 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.220 -6.612 4.856 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.447 -5.991 6.508 1.00 0.74 H new ATOM 692 N PRO A 43 9.832 -8.724 8.557 1.00 0.40 N ATOM 693 CA PRO A 43 10.300 -10.059 8.953 1.00 0.44 C ATOM 694 C PRO A 43 9.534 -11.174 8.272 1.00 0.45 C ATOM 695 O PRO A 43 10.109 -12.168 7.853 1.00 0.49 O ATOM 696 CB PRO A 43 10.011 -10.099 10.446 1.00 0.51 C ATOM 697 CG PRO A 43 10.124 -8.686 10.883 1.00 0.48 C ATOM 698 CD PRO A 43 9.607 -7.864 9.738 1.00 0.44 C ATOM 0 HA PRO A 43 11.345 -10.210 8.683 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.017 -10.499 10.648 1.00 0.51 H new ATOM 0 HB3 PRO A 43 10.723 -10.735 10.971 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.542 -8.508 11.787 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.158 -8.429 11.114 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.551 -7.624 9.863 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.141 -6.918 9.652 1.00 0.44 H new ATOM 706 N SER A 44 8.229 -11.011 8.188 1.00 0.45 N ATOM 707 CA SER A 44 7.396 -11.994 7.534 1.00 0.47 C ATOM 708 C SER A 44 7.772 -12.119 6.059 1.00 0.44 C ATOM 709 O SER A 44 8.189 -13.187 5.600 1.00 0.45 O ATOM 710 CB SER A 44 5.931 -11.601 7.683 1.00 0.51 C ATOM 711 OG SER A 44 5.074 -12.530 7.045 1.00 0.59 O ATOM 0 H SER A 44 7.725 -10.208 8.564 1.00 0.45 H new ATOM 0 HA SER A 44 7.553 -12.964 8.005 1.00 0.47 H new ATOM 0 HB2 SER A 44 5.677 -11.538 8.741 1.00 0.51 H new ATOM 0 HB3 SER A 44 5.775 -10.610 7.258 1.00 0.51 H new ATOM 0 HG SER A 44 4.142 -12.249 7.161 1.00 0.59 H new ATOM 717 N PHE A 45 7.702 -10.995 5.347 1.00 0.42 N ATOM 718 CA PHE A 45 7.855 -10.999 3.898 1.00 0.41 C ATOM 719 C PHE A 45 9.239 -11.480 3.490 1.00 0.42 C ATOM 720 O PHE A 45 9.382 -12.501 2.815 1.00 0.46 O ATOM 721 CB PHE A 45 7.609 -9.611 3.306 1.00 0.45 C ATOM 722 CG PHE A 45 7.543 -9.640 1.803 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.350 -9.924 1.159 1.00 1.83 C ATOM 724 CD2 PHE A 45 8.675 -9.412 1.038 1.00 1.81 C ATOM 725 CE1 PHE A 45 6.286 -9.976 -0.221 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.616 -9.461 -0.342 1.00 2.38 C ATOM 727 CZ PHE A 45 7.420 -9.743 -0.972 1.00 2.41 C ATOM 0 H PHE A 45 7.540 -10.073 5.752 1.00 0.42 H new ATOM 0 HA PHE A 45 7.108 -11.688 3.505 1.00 0.41 H new ATOM 0 HB2 PHE A 45 6.676 -9.209 3.702 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.406 -8.937 3.620 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.459 -10.107 1.742 1.00 1.83 H new ATOM 0 HD2 PHE A 45 9.614 -9.194 1.525 1.00 1.81 H new ATOM 0 HE1 PHE A 45 5.350 -10.199 -0.711 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.505 -9.279 -0.927 1.00 2.38 H new ATOM 0 HZ PHE A 45 7.372 -9.781 -2.050 1.00 2.41 H new ATOM 737 N LEU A 46 10.262 -10.746 3.905 1.00 0.45 N ATOM 738 CA LEU A 46 11.612 -11.046 3.468 1.00 0.57 C ATOM 739 C LEU A 46 12.293 -12.010 4.410 1.00 0.65 C ATOM 740 O LEU A 46 13.135 -12.779 3.983 1.00 0.66 O ATOM 741 CB LEU A 46 12.450 -9.777 3.334 1.00 0.67 C ATOM 742 CG LEU A 46 13.254 -9.646 2.041 1.00 0.57 C ATOM 743 CD1 LEU A 46 14.659 -10.151 2.276 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.585 -10.411 0.906 1.00 0.55 C ATOM 0 H LEU A 46 10.182 -9.949 4.536 1.00 0.45 H new ATOM 0 HA LEU A 46 11.531 -11.514 2.487 1.00 0.57 H new ATOM 0 HB2 LEU A 46 11.787 -8.916 3.417 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.141 -9.729 4.176 1.00 0.67 H new ATOM 0 HG LEU A 46 13.295 -8.597 1.749 1.00 0.57 H new ATOM 0 HD11 LEU A 46 15.237 -10.060 1.356 1.00 0.71 H new ATOM 0 HD12 LEU A 46 15.131 -9.561 3.061 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.624 -11.197 2.580 1.00 0.71 H new ATOM 0 HD21 LEU A 46 13.176 -10.303 -0.004 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.515 -11.466 1.170 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.585 -10.012 0.738 1.00 0.55 H new ATOM 756 N GLY A 47 11.926 -11.980 5.684 1.00 0.74 N ATOM 757 CA GLY A 47 12.526 -12.893 6.644 1.00 0.90 C ATOM 758 C GLY A 47 12.272 -14.338 6.271 1.00 0.89 C ATOM 759 O GLY A 47 13.024 -15.235 6.655 1.00 0.99 O ATOM 0 H GLY A 47 11.228 -11.345 6.071 1.00 0.74 H new ATOM 0 HA2 GLY A 47 13.600 -12.713 6.696 1.00 0.90 H new ATOM 0 HA3 GLY A 47 12.121 -12.696 7.637 1.00 0.90 H new ATOM 763 N LYS A 48 11.205 -14.561 5.512 1.00 0.79 N ATOM 764 CA LYS A 48 10.900 -15.876 4.972 1.00 0.82 C ATOM 765 C LYS A 48 11.899 -16.280 3.873 1.00 0.78 C ATOM 766 O LYS A 48 11.831 -17.386 3.333 1.00 0.87 O ATOM 767 CB LYS A 48 9.482 -15.870 4.425 1.00 0.82 C ATOM 768 CG LYS A 48 8.874 -17.252 4.279 1.00 1.08 C ATOM 769 CD LYS A 48 7.388 -17.171 3.998 1.00 1.51 C ATOM 770 CE LYS A 48 6.762 -18.551 3.896 1.00 2.27 C ATOM 771 NZ LYS A 48 5.292 -18.486 3.688 1.00 3.17 N ATOM 0 H LYS A 48 10.532 -13.838 5.256 1.00 0.79 H new ATOM 0 HA LYS A 48 10.984 -16.612 5.772 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.851 -15.274 5.084 1.00 0.82 H new ATOM 0 HB3 LYS A 48 9.480 -15.378 3.452 1.00 0.82 H new ATOM 0 HG2 LYS A 48 9.371 -17.787 3.470 1.00 1.08 H new ATOM 0 HG3 LYS A 48 9.043 -17.825 5.191 1.00 1.08 H new ATOM 0 HD2 LYS A 48 6.898 -16.606 4.791 1.00 1.51 H new ATOM 0 HD3 LYS A 48 7.222 -16.626 3.069 1.00 1.51 H new ATOM 0 HE2 LYS A 48 7.220 -19.096 3.071 1.00 2.27 H new ATOM 0 HE3 LYS A 48 6.974 -19.113 4.806 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 4.907 -19.450 3.624 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 4.850 -17.989 4.488 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 5.088 -17.973 2.806 1.00 3.17 H new ATOM 785 N ARG A 49 12.828 -15.384 3.547 1.00 0.73 N ATOM 786 CA ARG A 49 13.831 -15.661 2.528 1.00 0.81 C ATOM 787 C ARG A 49 15.186 -15.045 2.881 1.00 0.74 C ATOM 788 O ARG A 49 16.132 -15.761 3.208 1.00 1.00 O ATOM 789 CB ARG A 49 13.368 -15.152 1.175 1.00 0.95 C ATOM 790 CG ARG A 49 14.220 -15.675 0.038 1.00 1.17 C ATOM 791 CD ARG A 49 13.463 -15.608 -1.263 1.00 1.02 C ATOM 792 NE ARG A 49 14.230 -16.149 -2.382 1.00 1.61 N ATOM 793 CZ ARG A 49 14.026 -15.812 -3.655 1.00 1.87 C ATOM 794 NH1 ARG A 49 13.100 -14.912 -3.969 1.00 2.14 N ATOM 795 NH2 ARG A 49 14.755 -16.370 -4.612 1.00 2.50 N ATOM 0 H ARG A 49 12.905 -14.461 3.975 1.00 0.73 H new ATOM 0 HA ARG A 49 13.957 -16.743 2.482 1.00 0.81 H new ATOM 0 HB2 ARG A 49 12.331 -15.448 1.014 1.00 0.95 H new ATOM 0 HB3 ARG A 49 13.393 -14.062 1.172 1.00 0.95 H new ATOM 0 HG2 ARG A 49 15.136 -15.089 -0.037 1.00 1.17 H new ATOM 0 HG3 ARG A 49 14.516 -16.704 0.241 1.00 1.17 H new ATOM 0 HD2 ARG A 49 12.529 -16.161 -1.165 1.00 1.02 H new ATOM 0 HD3 ARG A 49 13.200 -14.572 -1.474 1.00 1.02 H new ATOM 0 HE ARG A 49 14.966 -16.825 -2.177 1.00 1.61 H new ATOM 0 HH11 ARG A 49 12.542 -14.476 -3.234 1.00 2.14 H new ATOM 0 HH12 ARG A 49 12.947 -14.657 -4.945 1.00 2.14 H new ATOM 0 HH21 ARG A 49 15.471 -17.056 -4.373 1.00 2.50 H new ATOM 0 HH22 ARG A 49 14.600 -16.113 -5.587 1.00 2.50 H new ATOM 809 N THR A 50 15.252 -13.715 2.831 1.00 0.76 N ATOM 810 CA THR A 50 16.483 -12.950 3.060 1.00 0.73 C ATOM 811 C THR A 50 17.675 -13.548 2.308 1.00 0.82 C ATOM 812 O THR A 50 18.707 -13.872 2.896 1.00 1.33 O ATOM 813 CB THR A 50 16.824 -12.823 4.557 1.00 0.74 C ATOM 814 OG1 THR A 50 16.872 -14.114 5.185 1.00 0.84 O ATOM 815 CG2 THR A 50 15.795 -11.953 5.254 1.00 0.63 C ATOM 0 H THR A 50 14.443 -13.128 2.628 1.00 0.76 H new ATOM 0 HA THR A 50 16.289 -11.951 2.669 1.00 0.73 H new ATOM 0 HB THR A 50 17.807 -12.360 4.642 1.00 0.74 H new ATOM 0 HG1 THR A 50 16.963 -14.808 4.499 1.00 0.84 H new ATOM 0 HG21 THR A 50 16.045 -11.870 6.312 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.792 -10.961 4.803 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.808 -12.403 5.149 1.00 0.63 H new ATOM 823 N ASP A 51 17.511 -13.712 1.009 1.00 0.57 N ATOM 824 CA ASP A 51 18.543 -14.306 0.173 1.00 0.62 C ATOM 825 C ASP A 51 19.072 -13.261 -0.799 1.00 0.58 C ATOM 826 O ASP A 51 18.426 -12.228 -0.988 1.00 0.55 O ATOM 827 CB ASP A 51 17.964 -15.502 -0.590 1.00 0.69 C ATOM 828 CG ASP A 51 19.002 -16.264 -1.388 1.00 1.26 C ATOM 829 OD1 ASP A 51 19.626 -17.186 -0.829 1.00 1.78 O ATOM 830 OD2 ASP A 51 19.189 -15.953 -2.579 1.00 2.01 O ATOM 0 H ASP A 51 16.667 -13.441 0.505 1.00 0.57 H new ATOM 0 HA ASP A 51 19.365 -14.655 0.798 1.00 0.62 H new ATOM 0 HB2 ASP A 51 17.490 -16.181 0.119 1.00 0.69 H new ATOM 0 HB3 ASP A 51 17.184 -15.150 -1.265 1.00 0.69 H new ATOM 835 N GLU A 52 20.229 -13.506 -1.404 1.00 0.67 N ATOM 836 CA GLU A 52 20.756 -12.585 -2.403 1.00 0.71 C ATOM 837 C GLU A 52 19.759 -12.412 -3.521 1.00 0.67 C ATOM 838 O GLU A 52 19.411 -11.292 -3.887 1.00 0.63 O ATOM 839 CB GLU A 52 22.089 -13.063 -2.966 1.00 0.87 C ATOM 840 CG GLU A 52 23.199 -13.058 -1.941 1.00 0.95 C ATOM 841 CD GLU A 52 24.503 -13.597 -2.488 1.00 1.31 C ATOM 842 OE1 GLU A 52 24.655 -14.833 -2.565 1.00 1.91 O ATOM 843 OE2 GLU A 52 25.386 -12.786 -2.842 1.00 1.81 O ATOM 0 H GLU A 52 20.813 -14.323 -1.224 1.00 0.67 H new ATOM 0 HA GLU A 52 20.927 -11.627 -1.912 1.00 0.71 H new ATOM 0 HB2 GLU A 52 21.970 -14.073 -3.359 1.00 0.87 H new ATOM 0 HB3 GLU A 52 22.373 -12.426 -3.804 1.00 0.87 H new ATOM 0 HG2 GLU A 52 23.353 -12.040 -1.584 1.00 0.95 H new ATOM 0 HG3 GLU A 52 22.896 -13.655 -1.081 1.00 0.95 H new ATOM 850 N ALA A 53 19.270 -13.533 -4.021 1.00 0.71 N ATOM 851 CA ALA A 53 18.287 -13.533 -5.087 1.00 0.76 C ATOM 852 C ALA A 53 17.022 -12.802 -4.651 1.00 0.66 C ATOM 853 O ALA A 53 16.347 -12.175 -5.455 1.00 0.69 O ATOM 854 CB ALA A 53 17.963 -14.958 -5.497 1.00 0.91 C ATOM 0 H ALA A 53 19.542 -14.463 -3.701 1.00 0.71 H new ATOM 0 HA ALA A 53 18.705 -13.008 -5.946 1.00 0.76 H new ATOM 0 HB1 ALA A 53 17.224 -14.947 -6.298 1.00 0.91 H new ATOM 0 HB2 ALA A 53 18.870 -15.451 -5.847 1.00 0.91 H new ATOM 0 HB3 ALA A 53 17.562 -15.501 -4.641 1.00 0.91 H new ATOM 860 N ALA A 54 16.723 -12.879 -3.366 1.00 0.60 N ATOM 861 CA ALA A 54 15.552 -12.217 -2.811 1.00 0.59 C ATOM 862 C ALA A 54 15.679 -10.706 -2.908 1.00 0.48 C ATOM 863 O ALA A 54 14.862 -10.062 -3.554 1.00 0.46 O ATOM 864 CB ALA A 54 15.332 -12.630 -1.369 1.00 0.64 C ATOM 0 H ALA A 54 17.277 -13.396 -2.683 1.00 0.60 H new ATOM 0 HA ALA A 54 14.688 -12.527 -3.399 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.451 -12.122 -0.975 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.182 -13.708 -1.318 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.204 -12.356 -0.775 1.00 0.64 H new ATOM 870 N PHE A 55 16.704 -10.140 -2.273 1.00 0.46 N ATOM 871 CA PHE A 55 16.896 -8.693 -2.299 1.00 0.42 C ATOM 872 C PHE A 55 17.148 -8.214 -3.718 1.00 0.44 C ATOM 873 O PHE A 55 16.654 -7.172 -4.132 1.00 0.45 O ATOM 874 CB PHE A 55 18.029 -8.265 -1.346 1.00 0.44 C ATOM 875 CG PHE A 55 19.453 -8.555 -1.776 1.00 1.06 C ATOM 876 CD1 PHE A 55 20.057 -7.862 -2.817 1.00 1.87 C ATOM 877 CD2 PHE A 55 20.198 -9.504 -1.099 1.00 1.98 C ATOM 878 CE1 PHE A 55 21.366 -8.123 -3.177 1.00 2.70 C ATOM 879 CE2 PHE A 55 21.510 -9.759 -1.450 1.00 2.77 C ATOM 880 CZ PHE A 55 22.093 -9.072 -2.493 1.00 2.95 C ATOM 0 H PHE A 55 17.406 -10.654 -1.741 1.00 0.46 H new ATOM 0 HA PHE A 55 15.981 -8.220 -1.944 1.00 0.42 H new ATOM 0 HB2 PHE A 55 17.940 -7.192 -1.179 1.00 0.44 H new ATOM 0 HB3 PHE A 55 17.862 -8.752 -0.385 1.00 0.44 H new ATOM 0 HD1 PHE A 55 19.497 -7.110 -3.352 1.00 1.87 H new ATOM 0 HD2 PHE A 55 19.748 -10.053 -0.285 1.00 1.98 H new ATOM 0 HE1 PHE A 55 21.819 -7.582 -3.995 1.00 2.70 H new ATOM 0 HE2 PHE A 55 22.080 -10.498 -0.906 1.00 2.77 H new ATOM 0 HZ PHE A 55 23.116 -9.277 -2.773 1.00 2.95 H new ATOM 890 N GLN A 56 17.920 -8.996 -4.445 1.00 0.49 N ATOM 891 CA GLN A 56 18.198 -8.740 -5.859 1.00 0.54 C ATOM 892 C GLN A 56 16.907 -8.617 -6.664 1.00 0.53 C ATOM 893 O GLN A 56 16.670 -7.597 -7.318 1.00 0.57 O ATOM 894 CB GLN A 56 19.064 -9.865 -6.435 1.00 0.62 C ATOM 895 CG GLN A 56 19.221 -9.831 -7.949 1.00 0.76 C ATOM 896 CD GLN A 56 19.943 -8.596 -8.447 1.00 0.98 C ATOM 897 OE1 GLN A 56 21.167 -8.585 -8.566 1.00 1.69 O ATOM 898 NE2 GLN A 56 19.192 -7.551 -8.743 1.00 0.87 N ATOM 0 H GLN A 56 18.377 -9.831 -4.079 1.00 0.49 H new ATOM 0 HA GLN A 56 18.735 -7.794 -5.931 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.053 -9.815 -5.979 1.00 0.62 H new ATOM 0 HB3 GLN A 56 18.630 -10.823 -6.149 1.00 0.62 H new ATOM 0 HG2 GLN A 56 19.767 -10.718 -8.271 1.00 0.76 H new ATOM 0 HG3 GLN A 56 18.235 -9.879 -8.411 1.00 0.76 H new ATOM 0 HE21 GLN A 56 18.180 -7.602 -8.630 1.00 0.87 H new ATOM 0 HE22 GLN A 56 19.624 -6.693 -9.085 1.00 0.87 H new ATOM 907 N LYS A 57 16.082 -9.653 -6.619 1.00 0.51 N ATOM 908 CA LYS A 57 14.847 -9.667 -7.385 1.00 0.52 C ATOM 909 C LYS A 57 13.873 -8.625 -6.862 1.00 0.48 C ATOM 910 O LYS A 57 13.294 -7.875 -7.641 1.00 0.48 O ATOM 911 CB LYS A 57 14.205 -11.057 -7.376 1.00 0.55 C ATOM 912 CG LYS A 57 14.404 -11.824 -8.678 1.00 0.76 C ATOM 913 CD LYS A 57 15.876 -12.063 -8.990 1.00 1.01 C ATOM 914 CE LYS A 57 16.446 -13.233 -8.201 1.00 0.87 C ATOM 915 NZ LYS A 57 15.844 -14.529 -8.609 1.00 1.60 N ATOM 0 H LYS A 57 16.246 -10.492 -6.062 1.00 0.51 H new ATOM 0 HA LYS A 57 15.095 -9.417 -8.417 1.00 0.52 H new ATOM 0 HB2 LYS A 57 14.624 -11.637 -6.554 1.00 0.55 H new ATOM 0 HB3 LYS A 57 13.137 -10.955 -7.183 1.00 0.55 H new ATOM 0 HG2 LYS A 57 13.888 -12.782 -8.615 1.00 0.76 H new ATOM 0 HG3 LYS A 57 13.947 -11.269 -9.497 1.00 0.76 H new ATOM 0 HD2 LYS A 57 15.994 -12.254 -10.057 1.00 1.01 H new ATOM 0 HD3 LYS A 57 16.445 -11.162 -8.763 1.00 1.01 H new ATOM 0 HE2 LYS A 57 17.526 -13.274 -8.344 1.00 0.87 H new ATOM 0 HE3 LYS A 57 16.271 -13.072 -7.137 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 16.467 -15.309 -8.317 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 14.915 -14.639 -8.154 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 15.727 -14.548 -9.642 1.00 1.60 H new ATOM 929 N LEU A 58 13.719 -8.558 -5.547 1.00 0.46 N ATOM 930 CA LEU A 58 12.808 -7.605 -4.935 1.00 0.43 C ATOM 931 C LEU A 58 13.179 -6.191 -5.328 1.00 0.43 C ATOM 932 O LEU A 58 12.317 -5.395 -5.690 1.00 0.42 O ATOM 933 CB LEU A 58 12.831 -7.730 -3.417 1.00 0.43 C ATOM 934 CG LEU A 58 11.640 -7.094 -2.714 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.339 -7.674 -3.243 1.00 0.40 C ATOM 936 CD2 LEU A 58 11.749 -7.301 -1.218 1.00 0.41 C ATOM 0 H LEU A 58 14.215 -9.154 -4.884 1.00 0.46 H new ATOM 0 HA LEU A 58 11.803 -7.828 -5.293 1.00 0.43 H new ATOM 0 HB2 LEU A 58 12.871 -8.787 -3.153 1.00 0.43 H new ATOM 0 HB3 LEU A 58 13.746 -7.272 -3.041 1.00 0.43 H new ATOM 0 HG LEU A 58 11.642 -6.023 -2.918 1.00 0.39 H new ATOM 0 HD11 LEU A 58 9.498 -7.208 -2.730 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.263 -7.481 -4.313 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.322 -8.749 -3.066 1.00 0.40 H new ATOM 0 HD21 LEU A 58 10.892 -6.842 -0.724 1.00 0.41 H new ATOM 0 HD22 LEU A 58 11.766 -8.369 -0.999 1.00 0.41 H new ATOM 0 HD23 LEU A 58 12.667 -6.841 -0.853 1.00 0.41 H new ATOM 948 N MET A 59 14.466 -5.891 -5.258 1.00 0.46 N ATOM 949 CA MET A 59 14.980 -4.608 -5.702 1.00 0.48 C ATOM 950 C MET A 59 14.493 -4.313 -7.107 1.00 0.48 C ATOM 951 O MET A 59 13.792 -3.337 -7.330 1.00 0.49 O ATOM 952 CB MET A 59 16.502 -4.615 -5.683 1.00 0.54 C ATOM 953 CG MET A 59 17.117 -3.344 -6.219 1.00 0.57 C ATOM 954 SD MET A 59 18.882 -3.506 -6.503 1.00 1.64 S ATOM 955 CE MET A 59 18.878 -4.690 -7.841 1.00 2.39 C ATOM 0 H MET A 59 15.178 -6.525 -4.895 1.00 0.46 H new ATOM 0 HA MET A 59 14.618 -3.835 -5.024 1.00 0.48 H new ATOM 0 HB2 MET A 59 16.844 -4.771 -4.660 1.00 0.54 H new ATOM 0 HB3 MET A 59 16.861 -5.459 -6.272 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.625 -3.071 -7.152 1.00 0.57 H new ATOM 0 HG3 MET A 59 16.938 -2.532 -5.515 1.00 0.57 H new ATOM 0 HE1 MET A 59 19.892 -4.810 -8.224 1.00 2.39 H new ATOM 0 HE2 MET A 59 18.512 -5.650 -7.476 1.00 2.39 H new ATOM 0 HE3 MET A 59 18.228 -4.334 -8.640 1.00 2.39 H new ATOM 965 N SER A 60 14.828 -5.196 -8.034 1.00 0.50 N ATOM 966 CA SER A 60 14.467 -5.018 -9.433 1.00 0.53 C ATOM 967 C SER A 60 12.946 -4.946 -9.615 1.00 0.52 C ATOM 968 O SER A 60 12.450 -4.370 -10.585 1.00 0.56 O ATOM 969 CB SER A 60 15.068 -6.145 -10.280 1.00 0.56 C ATOM 970 OG SER A 60 14.699 -7.425 -9.792 1.00 1.35 O ATOM 0 H SER A 60 15.353 -6.049 -7.842 1.00 0.50 H new ATOM 0 HA SER A 60 14.879 -4.068 -9.773 1.00 0.53 H new ATOM 0 HB2 SER A 60 14.736 -6.040 -11.313 1.00 0.56 H new ATOM 0 HB3 SER A 60 16.154 -6.057 -10.284 1.00 0.56 H new ATOM 0 HG SER A 60 14.000 -7.327 -9.112 1.00 1.35 H new ATOM 976 N ASN A 61 12.209 -5.528 -8.674 1.00 0.49 N ATOM 977 CA ASN A 61 10.753 -5.532 -8.733 1.00 0.51 C ATOM 978 C ASN A 61 10.190 -4.163 -8.405 1.00 0.50 C ATOM 979 O ASN A 61 9.352 -3.626 -9.130 1.00 0.57 O ATOM 980 CB ASN A 61 10.168 -6.551 -7.749 1.00 0.49 C ATOM 981 CG ASN A 61 10.378 -7.987 -8.182 1.00 0.58 C ATOM 982 OD1 ASN A 61 10.429 -8.285 -9.376 1.00 0.80 O ATOM 983 ND2 ASN A 61 10.507 -8.892 -7.218 1.00 0.58 N ATOM 0 H ASN A 61 12.598 -6.004 -7.860 1.00 0.49 H new ATOM 0 HA ASN A 61 10.474 -5.805 -9.751 1.00 0.51 H new ATOM 0 HB2 ASN A 61 10.623 -6.403 -6.770 1.00 0.49 H new ATOM 0 HB3 ASN A 61 9.100 -6.365 -7.635 1.00 0.49 H new ATOM 0 HD21 ASN A 61 10.654 -9.873 -7.456 1.00 0.58 H new ATOM 0 HD22 ASN A 61 10.459 -8.606 -6.240 1.00 0.58 H new ATOM 990 N LEU A 62 10.655 -3.608 -7.304 1.00 0.44 N ATOM 991 CA LEU A 62 10.125 -2.361 -6.794 1.00 0.44 C ATOM 992 C LEU A 62 10.762 -1.206 -7.535 1.00 0.49 C ATOM 993 O LEU A 62 10.080 -0.334 -8.054 1.00 0.55 O ATOM 994 CB LEU A 62 10.427 -2.254 -5.302 1.00 0.38 C ATOM 995 CG LEU A 62 10.368 -3.577 -4.539 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.694 -3.363 -3.070 1.00 0.31 C ATOM 997 CD2 LEU A 62 9.014 -4.249 -4.719 1.00 0.35 C ATOM 0 H LEU A 62 11.406 -4.006 -6.741 1.00 0.44 H new ATOM 0 HA LEU A 62 9.046 -2.331 -6.943 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.420 -1.823 -5.177 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.719 -1.559 -4.851 1.00 0.38 H new ATOM 0 HG LEU A 62 11.122 -4.247 -4.953 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.647 -4.317 -2.544 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.697 -2.947 -2.977 1.00 0.31 H new ATOM 0 HD13 LEU A 62 9.972 -2.672 -2.634 1.00 0.31 H new ATOM 0 HD21 LEU A 62 8.998 -5.188 -4.166 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.229 -3.593 -4.343 1.00 0.35 H new ATOM 0 HD23 LEU A 62 8.844 -4.448 -5.777 1.00 0.35 H new ATOM 1009 N ASP A 63 12.077 -1.255 -7.597 1.00 0.48 N ATOM 1010 CA ASP A 63 12.899 -0.257 -8.258 1.00 0.54 C ATOM 1011 C ASP A 63 12.664 -0.300 -9.771 1.00 0.57 C ATOM 1012 O ASP A 63 13.451 -0.857 -10.526 1.00 0.63 O ATOM 1013 CB ASP A 63 14.361 -0.558 -7.883 1.00 0.56 C ATOM 1014 CG ASP A 63 15.408 0.157 -8.701 1.00 0.67 C ATOM 1015 OD1 ASP A 63 15.465 1.397 -8.672 1.00 1.24 O ATOM 1016 OD2 ASP A 63 16.213 -0.538 -9.354 1.00 1.34 O ATOM 0 H ASP A 63 12.620 -2.010 -7.178 1.00 0.48 H new ATOM 0 HA ASP A 63 12.643 0.753 -7.938 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.508 -0.301 -6.834 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.526 -1.632 -7.974 1.00 0.56 H new ATOM 1021 N SER A 64 11.541 0.262 -10.199 1.00 0.59 N ATOM 1022 CA SER A 64 11.176 0.278 -11.613 1.00 0.64 C ATOM 1023 C SER A 64 12.093 1.212 -12.390 1.00 0.66 C ATOM 1024 O SER A 64 12.355 1.009 -13.574 1.00 0.76 O ATOM 1025 CB SER A 64 9.721 0.716 -11.780 1.00 0.72 C ATOM 1026 OG SER A 64 8.873 0.009 -10.889 1.00 1.37 O ATOM 0 H SER A 64 10.863 0.715 -9.586 1.00 0.59 H new ATOM 0 HA SER A 64 11.289 -0.731 -12.009 1.00 0.64 H new ATOM 0 HB2 SER A 64 9.636 1.787 -11.596 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.401 0.543 -12.807 1.00 0.72 H new ATOM 0 HG SER A 64 7.948 0.307 -11.013 1.00 1.37 H new ATOM 1032 N ASN A 65 12.583 2.231 -11.702 1.00 0.63 N ATOM 1033 CA ASN A 65 13.535 3.176 -12.274 1.00 0.72 C ATOM 1034 C ASN A 65 14.888 2.509 -12.491 1.00 0.69 C ATOM 1035 O ASN A 65 15.758 3.022 -13.196 1.00 0.77 O ATOM 1036 CB ASN A 65 13.673 4.380 -11.348 1.00 0.79 C ATOM 1037 CG ASN A 65 14.021 3.951 -9.945 1.00 1.01 C ATOM 1038 OD1 ASN A 65 13.140 3.698 -9.125 1.00 1.65 O ATOM 1039 ND2 ASN A 65 15.300 3.878 -9.658 1.00 1.16 N ATOM 0 H ASN A 65 12.334 2.428 -10.733 1.00 0.63 H new ATOM 0 HA ASN A 65 13.167 3.511 -13.244 1.00 0.72 H new ATOM 0 HB2 ASN A 65 14.445 5.049 -11.729 1.00 0.79 H new ATOM 0 HB3 ASN A 65 12.740 4.943 -11.338 1.00 0.79 H new ATOM 0 HD21 ASN A 65 15.598 3.602 -8.722 1.00 1.16 H new ATOM 0 HD22 ASN A 65 15.996 4.097 -10.371 1.00 1.16 H new ATOM 1046 N ARG A 66 15.019 1.343 -11.860 1.00 0.60 N ATOM 1047 CA ARG A 66 16.174 0.473 -11.964 1.00 0.60 C ATOM 1048 C ARG A 66 17.489 1.187 -11.717 1.00 0.61 C ATOM 1049 O ARG A 66 18.462 1.013 -12.452 1.00 0.69 O ATOM 1050 CB ARG A 66 16.179 -0.263 -13.290 1.00 0.67 C ATOM 1051 CG ARG A 66 15.038 -1.258 -13.418 1.00 0.71 C ATOM 1052 CD ARG A 66 15.145 -2.386 -12.393 1.00 0.71 C ATOM 1053 NE ARG A 66 14.158 -3.433 -12.646 1.00 0.78 N ATOM 1054 CZ ARG A 66 14.437 -4.614 -13.195 1.00 1.20 C ATOM 1055 NH1 ARG A 66 15.675 -4.904 -13.573 1.00 2.24 N ATOM 1056 NH2 ARG A 66 13.472 -5.507 -13.366 1.00 1.15 N ATOM 0 H ARG A 66 14.296 0.972 -11.243 1.00 0.60 H new ATOM 0 HA ARG A 66 16.082 -0.260 -11.163 1.00 0.60 H new ATOM 0 HB2 ARG A 66 16.116 0.461 -14.102 1.00 0.67 H new ATOM 0 HB3 ARG A 66 17.127 -0.788 -13.405 1.00 0.67 H new ATOM 0 HG2 ARG A 66 14.088 -0.739 -13.288 1.00 0.71 H new ATOM 0 HG3 ARG A 66 15.036 -1.680 -14.423 1.00 0.71 H new ATOM 0 HD2 ARG A 66 16.147 -2.814 -12.424 1.00 0.71 H new ATOM 0 HD3 ARG A 66 15.001 -1.983 -11.390 1.00 0.71 H new ATOM 0 HE ARG A 66 13.190 -3.247 -12.385 1.00 0.78 H new ATOM 0 HH11 ARG A 66 16.421 -4.220 -13.444 1.00 2.24 H new ATOM 0 HH12 ARG A 66 15.881 -5.811 -13.993 1.00 2.24 H new ATOM 0 HH21 ARG A 66 12.518 -5.289 -13.077 1.00 1.15 H new ATOM 0 HH22 ARG A 66 13.683 -6.412 -13.786 1.00 1.15 H new ATOM 1070 N ASP A 67 17.510 1.956 -10.648 1.00 0.58 N ATOM 1071 CA ASP A 67 18.737 2.576 -10.171 1.00 0.62 C ATOM 1072 C ASP A 67 19.283 1.740 -9.035 1.00 0.56 C ATOM 1073 O ASP A 67 20.321 2.053 -8.448 1.00 0.57 O ATOM 1074 CB ASP A 67 18.496 4.010 -9.691 1.00 0.70 C ATOM 1075 CG ASP A 67 18.242 4.977 -10.826 1.00 1.07 C ATOM 1076 OD1 ASP A 67 19.220 5.471 -11.419 1.00 1.72 O ATOM 1077 OD2 ASP A 67 17.062 5.264 -11.117 1.00 1.64 O ATOM 0 H ASP A 67 16.686 2.170 -10.086 1.00 0.58 H new ATOM 0 HA ASP A 67 19.451 2.623 -10.993 1.00 0.62 H new ATOM 0 HB2 ASP A 67 17.643 4.022 -9.013 1.00 0.70 H new ATOM 0 HB3 ASP A 67 19.362 4.347 -9.120 1.00 0.70 H new ATOM 1082 N ASN A 68 18.546 0.672 -8.741 1.00 0.53 N ATOM 1083 CA ASN A 68 18.873 -0.267 -7.677 1.00 0.51 C ATOM 1084 C ASN A 68 18.681 0.379 -6.328 1.00 0.47 C ATOM 1085 O ASN A 68 19.327 0.022 -5.340 1.00 0.48 O ATOM 1086 CB ASN A 68 20.283 -0.832 -7.842 1.00 0.58 C ATOM 1087 CG ASN A 68 20.406 -1.660 -9.105 1.00 0.73 C ATOM 1088 OD1 ASN A 68 21.499 -1.867 -9.622 1.00 1.08 O ATOM 1089 ND2 ASN A 68 19.272 -2.117 -9.627 1.00 0.66 N ATOM 0 H ASN A 68 17.692 0.433 -9.245 1.00 0.53 H new ATOM 0 HA ASN A 68 18.187 -1.112 -7.744 1.00 0.51 H new ATOM 0 HB2 ASN A 68 21.003 -0.014 -7.871 1.00 0.58 H new ATOM 0 HB3 ASN A 68 20.533 -1.446 -6.977 1.00 0.58 H new ATOM 0 HD21 ASN A 68 19.291 -2.662 -10.489 1.00 0.66 H new ATOM 0 HD22 ASN A 68 18.383 -1.923 -9.166 1.00 0.66 H new ATOM 1096 N GLU A 69 17.765 1.334 -6.304 1.00 0.46 N ATOM 1097 CA GLU A 69 17.407 2.035 -5.093 1.00 0.42 C ATOM 1098 C GLU A 69 15.915 2.310 -5.111 1.00 0.41 C ATOM 1099 O GLU A 69 15.415 3.055 -5.953 1.00 0.44 O ATOM 1100 CB GLU A 69 18.184 3.344 -4.985 1.00 0.46 C ATOM 1101 CG GLU A 69 19.680 3.166 -5.180 1.00 0.50 C ATOM 1102 CD GLU A 69 20.422 4.463 -5.404 1.00 0.65 C ATOM 1103 OE1 GLU A 69 20.028 5.239 -6.299 1.00 1.31 O ATOM 1104 OE2 GLU A 69 21.418 4.708 -4.693 1.00 1.29 O ATOM 0 H GLU A 69 17.250 1.642 -7.129 1.00 0.46 H new ATOM 0 HA GLU A 69 17.658 1.421 -4.228 1.00 0.42 H new ATOM 0 HB2 GLU A 69 17.807 4.046 -5.729 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.001 3.789 -4.007 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.095 2.667 -4.304 1.00 0.50 H new ATOM 0 HG3 GLU A 69 19.851 2.508 -6.032 1.00 0.50 H new ATOM 1111 N VAL A 70 15.221 1.707 -4.172 1.00 0.37 N ATOM 1112 CA VAL A 70 13.763 1.800 -4.104 1.00 0.36 C ATOM 1113 C VAL A 70 13.326 3.109 -3.465 1.00 0.35 C ATOM 1114 O VAL A 70 13.751 3.429 -2.370 1.00 0.36 O ATOM 1115 CB VAL A 70 13.177 0.624 -3.299 1.00 0.34 C ATOM 1116 CG1 VAL A 70 11.702 0.838 -3.017 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.387 -0.678 -4.044 1.00 0.37 C ATOM 0 H VAL A 70 15.639 1.140 -3.434 1.00 0.37 H new ATOM 0 HA VAL A 70 13.387 1.761 -5.126 1.00 0.36 H new ATOM 0 HB VAL A 70 13.700 0.572 -2.344 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.314 -0.007 -2.448 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.571 1.754 -2.441 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.160 0.920 -3.959 1.00 0.34 H new ATOM 0 HG21 VAL A 70 12.968 -1.501 -3.464 1.00 0.37 H new ATOM 0 HG22 VAL A 70 12.890 -0.627 -5.013 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.454 -0.845 -4.192 1.00 0.37 H new ATOM 1127 N ASP A 71 12.477 3.858 -4.149 1.00 0.38 N ATOM 1128 CA ASP A 71 12.003 5.138 -3.622 1.00 0.39 C ATOM 1129 C ASP A 71 10.748 4.939 -2.771 1.00 0.37 C ATOM 1130 O ASP A 71 10.198 3.838 -2.725 1.00 0.35 O ATOM 1131 CB ASP A 71 11.709 6.126 -4.757 1.00 0.45 C ATOM 1132 CG ASP A 71 10.236 6.175 -5.129 1.00 0.77 C ATOM 1133 OD1 ASP A 71 9.754 5.252 -5.797 1.00 1.35 O ATOM 1134 OD2 ASP A 71 9.542 7.136 -4.713 1.00 1.43 O ATOM 0 H ASP A 71 12.101 3.609 -5.064 1.00 0.38 H new ATOM 0 HA ASP A 71 12.794 5.552 -2.997 1.00 0.39 H new ATOM 0 HB2 ASP A 71 12.037 7.122 -4.460 1.00 0.45 H new ATOM 0 HB3 ASP A 71 12.292 5.847 -5.635 1.00 0.45 H new ATOM 1139 N PHE A 72 10.310 6.003 -2.088 1.00 0.41 N ATOM 1140 CA PHE A 72 9.094 5.963 -1.263 1.00 0.44 C ATOM 1141 C PHE A 72 7.949 5.316 -2.011 1.00 0.40 C ATOM 1142 O PHE A 72 7.273 4.421 -1.501 1.00 0.42 O ATOM 1143 CB PHE A 72 8.640 7.370 -0.880 1.00 0.54 C ATOM 1144 CG PHE A 72 9.547 8.090 0.059 1.00 0.94 C ATOM 1145 CD1 PHE A 72 10.599 8.845 -0.422 1.00 1.69 C ATOM 1146 CD2 PHE A 72 9.328 8.038 1.423 1.00 1.70 C ATOM 1147 CE1 PHE A 72 11.418 9.533 0.439 1.00 2.18 C ATOM 1148 CE2 PHE A 72 10.149 8.721 2.291 1.00 2.17 C ATOM 1149 CZ PHE A 72 11.197 9.471 1.796 1.00 2.15 C ATOM 0 H PHE A 72 10.782 6.907 -2.090 1.00 0.41 H new ATOM 0 HA PHE A 72 9.345 5.387 -0.372 1.00 0.44 H new ATOM 0 HB2 PHE A 72 8.538 7.963 -1.789 1.00 0.54 H new ATOM 0 HB3 PHE A 72 7.650 7.306 -0.428 1.00 0.54 H new ATOM 0 HD1 PHE A 72 10.779 8.895 -1.486 1.00 1.69 H new ATOM 0 HD2 PHE A 72 8.505 7.456 1.811 1.00 1.70 H new ATOM 0 HE1 PHE A 72 12.236 10.123 0.051 1.00 2.18 H new ATOM 0 HE2 PHE A 72 9.974 8.670 3.356 1.00 2.17 H new ATOM 0 HZ PHE A 72 11.843 10.009 2.474 1.00 2.15 H new ATOM 1159 N GLN A 73 7.744 5.785 -3.226 1.00 0.38 N ATOM 1160 CA GLN A 73 6.624 5.350 -4.029 1.00 0.37 C ATOM 1161 C GLN A 73 6.749 3.873 -4.386 1.00 0.36 C ATOM 1162 O GLN A 73 5.814 3.110 -4.171 1.00 0.37 O ATOM 1163 CB GLN A 73 6.490 6.209 -5.289 1.00 0.41 C ATOM 1164 CG GLN A 73 5.353 5.766 -6.186 1.00 0.50 C ATOM 1165 CD GLN A 73 5.833 5.141 -7.474 1.00 0.42 C ATOM 1166 OE1 GLN A 73 5.859 5.788 -8.515 1.00 0.63 O ATOM 1167 NE2 GLN A 73 6.287 3.906 -7.390 1.00 0.41 N ATOM 0 H GLN A 73 8.345 6.473 -3.679 1.00 0.38 H new ATOM 0 HA GLN A 73 5.717 5.476 -3.438 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.334 7.248 -4.999 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.424 6.171 -5.849 1.00 0.41 H new ATOM 0 HG2 GLN A 73 4.731 5.049 -5.649 1.00 0.50 H new ATOM 0 HG3 GLN A 73 4.723 6.625 -6.417 1.00 0.50 H new ATOM 0 HE21 GLN A 73 6.245 3.406 -6.502 1.00 0.41 H new ATOM 0 HE22 GLN A 73 6.681 3.450 -8.213 1.00 0.41 H new ATOM 1176 N GLU A 74 7.894 3.469 -4.931 1.00 0.37 N ATOM 1177 CA GLU A 74 8.116 2.071 -5.285 1.00 0.40 C ATOM 1178 C GLU A 74 8.040 1.169 -4.058 1.00 0.38 C ATOM 1179 O GLU A 74 7.618 0.017 -4.149 1.00 0.41 O ATOM 1180 CB GLU A 74 9.456 1.906 -5.994 1.00 0.45 C ATOM 1181 CG GLU A 74 9.523 2.644 -7.325 1.00 0.59 C ATOM 1182 CD GLU A 74 8.543 2.119 -8.363 1.00 1.40 C ATOM 1183 OE1 GLU A 74 7.600 1.380 -8.009 1.00 2.04 O ATOM 1184 OE2 GLU A 74 8.703 2.459 -9.550 1.00 2.18 O ATOM 0 H GLU A 74 8.679 4.087 -5.136 1.00 0.37 H new ATOM 0 HA GLU A 74 7.322 1.768 -5.968 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.252 2.269 -5.344 1.00 0.45 H new ATOM 0 HB3 GLU A 74 9.642 0.846 -6.164 1.00 0.45 H new ATOM 0 HG2 GLU A 74 9.326 3.702 -7.154 1.00 0.59 H new ATOM 0 HG3 GLU A 74 10.535 2.568 -7.722 1.00 0.59 H new ATOM 1191 N TYR A 75 8.432 1.700 -2.908 1.00 0.34 N ATOM 1192 CA TYR A 75 8.328 0.967 -1.658 1.00 0.37 C ATOM 1193 C TYR A 75 6.862 0.839 -1.238 1.00 0.34 C ATOM 1194 O TYR A 75 6.439 -0.189 -0.712 1.00 0.34 O ATOM 1195 CB TYR A 75 9.139 1.663 -0.563 1.00 0.43 C ATOM 1196 CG TYR A 75 9.037 0.981 0.786 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.409 -0.347 0.938 1.00 1.50 C ATOM 1198 CD2 TYR A 75 8.556 1.658 1.899 1.00 1.72 C ATOM 1199 CE1 TYR A 75 9.309 -0.980 2.160 1.00 1.86 C ATOM 1200 CE2 TYR A 75 8.452 1.031 3.128 1.00 2.09 C ATOM 1201 CZ TYR A 75 8.828 -0.288 3.252 1.00 1.84 C ATOM 1202 OH TYR A 75 8.741 -0.920 4.473 1.00 2.33 O ATOM 0 H TYR A 75 8.825 2.637 -2.817 1.00 0.34 H new ATOM 0 HA TYR A 75 8.735 -0.033 -1.806 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.186 1.701 -0.865 1.00 0.43 H new ATOM 0 HB3 TYR A 75 8.797 2.694 -0.468 1.00 0.43 H new ATOM 0 HD1 TYR A 75 9.783 -0.894 0.086 1.00 1.50 H new ATOM 0 HD2 TYR A 75 8.258 2.692 1.804 1.00 1.72 H new ATOM 0 HE1 TYR A 75 9.606 -2.013 2.261 1.00 1.86 H new ATOM 0 HE2 TYR A 75 8.078 1.572 3.985 1.00 2.09 H new ATOM 0 HH TYR A 75 7.829 -1.254 4.604 1.00 2.33 H new ATOM 1212 N SER A 76 6.087 1.887 -1.486 1.00 0.35 N ATOM 1213 CA SER A 76 4.659 1.871 -1.197 1.00 0.37 C ATOM 1214 C SER A 76 3.950 0.899 -2.136 1.00 0.36 C ATOM 1215 O SER A 76 3.022 0.189 -1.741 1.00 0.41 O ATOM 1216 CB SER A 76 4.075 3.278 -1.351 1.00 0.41 C ATOM 1217 OG SER A 76 2.708 3.309 -0.989 1.00 1.21 O ATOM 0 H SER A 76 6.425 2.761 -1.888 1.00 0.35 H new ATOM 0 HA SER A 76 4.508 1.542 -0.169 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.634 3.976 -0.728 1.00 0.41 H new ATOM 0 HB3 SER A 76 4.188 3.610 -2.383 1.00 0.41 H new ATOM 0 HG SER A 76 2.591 2.882 -0.114 1.00 1.21 H new ATOM 1223 N VAL A 77 4.425 0.862 -3.372 1.00 0.35 N ATOM 1224 CA VAL A 77 3.908 -0.044 -4.383 1.00 0.36 C ATOM 1225 C VAL A 77 4.252 -1.469 -3.991 1.00 0.33 C ATOM 1226 O VAL A 77 3.482 -2.398 -4.203 1.00 0.33 O ATOM 1227 CB VAL A 77 4.497 0.280 -5.774 1.00 0.40 C ATOM 1228 CG1 VAL A 77 4.170 -0.810 -6.779 1.00 0.43 C ATOM 1229 CG2 VAL A 77 3.982 1.623 -6.270 1.00 0.44 C ATOM 0 H VAL A 77 5.182 1.461 -3.701 1.00 0.35 H new ATOM 0 HA VAL A 77 2.826 0.075 -4.444 1.00 0.36 H new ATOM 0 HB VAL A 77 5.581 0.332 -5.672 1.00 0.40 H new ATOM 0 HG11 VAL A 77 4.598 -0.552 -7.748 1.00 0.43 H new ATOM 0 HG12 VAL A 77 4.588 -1.757 -6.438 1.00 0.43 H new ATOM 0 HG13 VAL A 77 3.088 -0.904 -6.874 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.407 1.836 -7.251 1.00 0.44 H new ATOM 0 HG22 VAL A 77 2.895 1.591 -6.344 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.275 2.406 -5.570 1.00 0.44 H new ATOM 1239 N PHE A 78 5.421 -1.609 -3.399 1.00 0.32 N ATOM 1240 CA PHE A 78 5.865 -2.869 -2.844 1.00 0.29 C ATOM 1241 C PHE A 78 4.897 -3.366 -1.778 1.00 0.27 C ATOM 1242 O PHE A 78 4.338 -4.455 -1.890 1.00 0.28 O ATOM 1243 CB PHE A 78 7.249 -2.683 -2.232 1.00 0.27 C ATOM 1244 CG PHE A 78 7.733 -3.872 -1.456 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.506 -5.161 -1.909 1.00 1.18 C ATOM 1246 CD2 PHE A 78 8.405 -3.694 -0.263 1.00 1.22 C ATOM 1247 CE1 PHE A 78 7.942 -6.247 -1.185 1.00 1.19 C ATOM 1248 CE2 PHE A 78 8.843 -4.776 0.465 1.00 1.24 C ATOM 1249 CZ PHE A 78 8.612 -6.054 0.003 1.00 0.37 C ATOM 0 H PHE A 78 6.091 -0.848 -3.290 1.00 0.32 H new ATOM 0 HA PHE A 78 5.904 -3.610 -3.642 1.00 0.29 H new ATOM 0 HB2 PHE A 78 7.962 -2.466 -3.028 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.231 -1.814 -1.574 1.00 0.27 H new ATOM 0 HD1 PHE A 78 6.981 -5.315 -2.840 1.00 1.18 H new ATOM 0 HD2 PHE A 78 8.589 -2.695 0.103 1.00 1.22 H new ATOM 0 HE1 PHE A 78 7.759 -7.248 -1.547 1.00 1.19 H new ATOM 0 HE2 PHE A 78 9.367 -4.624 1.397 1.00 1.24 H new ATOM 0 HZ PHE A 78 8.956 -6.904 0.573 1.00 0.37 H new ATOM 1259 N LEU A 79 4.712 -2.555 -0.747 1.00 0.27 N ATOM 1260 CA LEU A 79 3.880 -2.926 0.390 1.00 0.26 C ATOM 1261 C LEU A 79 2.458 -3.242 -0.041 1.00 0.31 C ATOM 1262 O LEU A 79 1.848 -4.193 0.454 1.00 0.33 O ATOM 1263 CB LEU A 79 3.881 -1.807 1.422 1.00 0.29 C ATOM 1264 CG LEU A 79 5.264 -1.413 1.932 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.137 -0.414 3.055 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.044 -2.635 2.388 1.00 0.30 C ATOM 0 H LEU A 79 5.131 -1.628 -0.674 1.00 0.27 H new ATOM 0 HA LEU A 79 4.300 -3.828 0.835 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.405 -0.928 0.986 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.269 -2.113 2.271 1.00 0.29 H new ATOM 0 HG LEU A 79 5.815 -0.951 1.112 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.130 -0.139 3.412 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.622 0.476 2.694 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.567 -0.856 3.872 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.026 -2.327 2.747 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.503 -3.132 3.193 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.163 -3.324 1.552 1.00 0.30 H new ATOM 1278 N SER A 80 1.929 -2.454 -0.964 1.00 0.36 N ATOM 1279 CA SER A 80 0.614 -2.731 -1.504 1.00 0.47 C ATOM 1280 C SER A 80 0.633 -4.020 -2.294 1.00 0.37 C ATOM 1281 O SER A 80 -0.238 -4.852 -2.122 1.00 0.38 O ATOM 1282 CB SER A 80 0.121 -1.591 -2.378 1.00 0.66 C ATOM 1283 OG SER A 80 1.154 -1.096 -3.211 1.00 0.84 O ATOM 0 H SER A 80 2.386 -1.628 -1.349 1.00 0.36 H new ATOM 0 HA SER A 80 -0.075 -2.834 -0.666 1.00 0.47 H new ATOM 0 HB2 SER A 80 -0.711 -1.935 -2.993 1.00 0.66 H new ATOM 0 HB3 SER A 80 -0.259 -0.786 -1.749 1.00 0.66 H new ATOM 0 HG SER A 80 1.744 -0.513 -2.689 1.00 0.84 H new ATOM 1289 N SER A 81 1.646 -4.186 -3.139 1.00 0.33 N ATOM 1290 CA SER A 81 1.799 -5.402 -3.924 1.00 0.30 C ATOM 1291 C SER A 81 1.750 -6.618 -3.004 1.00 0.24 C ATOM 1292 O SER A 81 1.151 -7.632 -3.342 1.00 0.26 O ATOM 1293 CB SER A 81 3.116 -5.373 -4.709 1.00 0.37 C ATOM 1294 OG SER A 81 3.131 -6.347 -5.741 1.00 1.22 O ATOM 0 H SER A 81 2.375 -3.490 -3.297 1.00 0.33 H new ATOM 0 HA SER A 81 0.980 -5.467 -4.640 1.00 0.30 H new ATOM 0 HB2 SER A 81 3.261 -4.383 -5.141 1.00 0.37 H new ATOM 0 HB3 SER A 81 3.949 -5.550 -4.029 1.00 0.37 H new ATOM 0 HG SER A 81 3.983 -6.300 -6.222 1.00 1.22 H new ATOM 1300 N ILE A 82 2.353 -6.494 -1.825 1.00 0.23 N ATOM 1301 CA ILE A 82 2.292 -7.548 -0.822 1.00 0.23 C ATOM 1302 C ILE A 82 0.849 -7.865 -0.455 1.00 0.27 C ATOM 1303 O ILE A 82 0.384 -8.989 -0.637 1.00 0.30 O ATOM 1304 CB ILE A 82 3.022 -7.162 0.476 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.486 -6.805 0.202 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.912 -8.306 1.474 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.267 -6.435 1.447 1.00 0.23 C ATOM 0 H ILE A 82 2.889 -5.673 -1.543 1.00 0.23 H new ATOM 0 HA ILE A 82 2.780 -8.414 -1.270 1.00 0.23 H new ATOM 0 HB ILE A 82 2.550 -6.275 0.899 1.00 0.24 H new ATOM 0 HG12 ILE A 82 4.972 -7.651 -0.283 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.522 -5.972 -0.500 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.428 -8.036 2.395 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.862 -8.500 1.690 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.367 -9.202 1.052 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.295 -6.195 1.174 1.00 0.23 H new ATOM 0 HD12 ILE A 82 4.806 -5.569 1.922 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.263 -7.275 2.142 1.00 0.23 H new ATOM 1319 N ALA A 83 0.151 -6.860 0.066 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.223 -7.026 0.525 1.00 0.36 C ATOM 1321 C ALA A 83 -2.132 -7.465 -0.626 1.00 0.37 C ATOM 1322 O ALA A 83 -3.103 -8.201 -0.427 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.715 -5.732 1.159 1.00 0.40 C ATOM 0 H ALA A 83 0.519 -5.916 0.181 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.253 -7.812 1.280 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.742 -5.862 1.500 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -1.080 -5.478 2.008 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.676 -4.929 0.423 1.00 0.40 H new ATOM 1329 N MET A 84 -1.794 -7.019 -1.830 1.00 0.37 N ATOM 1330 CA MET A 84 -2.494 -7.424 -3.039 1.00 0.43 C ATOM 1331 C MET A 84 -2.308 -8.909 -3.272 1.00 0.34 C ATOM 1332 O MET A 84 -3.259 -9.673 -3.197 1.00 0.37 O ATOM 1333 CB MET A 84 -1.968 -6.666 -4.265 1.00 0.64 C ATOM 1334 CG MET A 84 -2.221 -5.171 -4.235 1.00 0.44 C ATOM 1335 SD MET A 84 -1.369 -4.285 -5.559 1.00 1.00 S ATOM 1336 CE MET A 84 -1.910 -5.184 -7.012 1.00 1.26 C ATOM 0 H MET A 84 -1.027 -6.367 -1.994 1.00 0.37 H new ATOM 0 HA MET A 84 -3.550 -7.192 -2.903 1.00 0.43 H new ATOM 0 HB2 MET A 84 -0.895 -6.839 -4.351 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.430 -7.082 -5.160 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.293 -4.988 -4.313 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.899 -4.773 -3.273 1.00 0.44 H new ATOM 0 HE1 MET A 84 -1.042 -5.574 -7.543 1.00 1.26 H new ATOM 0 HE2 MET A 84 -2.552 -6.011 -6.710 1.00 1.26 H new ATOM 0 HE3 MET A 84 -2.466 -4.514 -7.668 1.00 1.26 H new ATOM 1346 N MET A 85 -1.064 -9.300 -3.523 1.00 0.34 N ATOM 1347 CA MET A 85 -0.718 -10.682 -3.841 1.00 0.35 C ATOM 1348 C MET A 85 -1.204 -11.627 -2.754 1.00 0.35 C ATOM 1349 O MET A 85 -1.785 -12.673 -3.045 1.00 0.42 O ATOM 1350 CB MET A 85 0.797 -10.821 -4.005 1.00 0.39 C ATOM 1351 CG MET A 85 1.371 -9.934 -5.097 1.00 1.36 C ATOM 1352 SD MET A 85 0.794 -10.381 -6.749 1.00 2.66 S ATOM 1353 CE MET A 85 1.462 -12.036 -6.908 1.00 3.35 C ATOM 0 H MET A 85 -0.264 -8.667 -3.512 1.00 0.34 H new ATOM 0 HA MET A 85 -1.209 -10.948 -4.777 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.281 -10.579 -3.059 1.00 0.39 H new ATOM 0 HB3 MET A 85 1.037 -11.861 -4.228 1.00 0.39 H new ATOM 0 HG2 MET A 85 1.103 -8.897 -4.893 1.00 1.36 H new ATOM 0 HG3 MET A 85 2.459 -9.993 -5.070 1.00 1.36 H new ATOM 0 HE1 MET A 85 1.902 -12.157 -7.898 1.00 3.35 H new ATOM 0 HE2 MET A 85 2.228 -12.194 -6.149 1.00 3.35 H new ATOM 0 HE3 MET A 85 0.663 -12.765 -6.774 1.00 3.35 H new ATOM 1363 N SER A 86 -0.972 -11.237 -1.508 1.00 0.33 N ATOM 1364 CA SER A 86 -1.376 -12.030 -0.361 1.00 0.39 C ATOM 1365 C SER A 86 -2.860 -12.384 -0.434 1.00 0.43 C ATOM 1366 O SER A 86 -3.227 -13.559 -0.405 1.00 0.57 O ATOM 1367 CB SER A 86 -1.075 -11.264 0.931 1.00 0.43 C ATOM 1368 OG SER A 86 -1.334 -12.058 2.075 1.00 1.24 O ATOM 0 H SER A 86 -0.500 -10.365 -1.267 1.00 0.33 H new ATOM 0 HA SER A 86 -0.808 -12.961 -0.367 1.00 0.39 H new ATOM 0 HB2 SER A 86 -0.032 -10.948 0.934 1.00 0.43 H new ATOM 0 HB3 SER A 86 -1.682 -10.359 0.969 1.00 0.43 H new ATOM 0 HG SER A 86 -1.131 -11.543 2.884 1.00 1.24 H new ATOM 1374 N ASN A 87 -3.714 -11.378 -0.572 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.146 -11.616 -0.501 1.00 0.51 C ATOM 1376 C ASN A 87 -5.721 -12.080 -1.836 1.00 0.44 C ATOM 1377 O ASN A 87 -6.665 -12.865 -1.870 1.00 0.53 O ATOM 1378 CB ASN A 87 -5.894 -10.382 -0.055 1.00 0.69 C ATOM 1379 CG ASN A 87 -7.272 -10.748 0.457 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -7.489 -10.867 1.662 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -8.197 -10.985 -0.458 1.00 1.49 N ATOM 0 H ASN A 87 -3.445 -10.407 -0.731 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.279 -12.409 0.235 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -5.332 -9.874 0.729 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -5.983 -9.684 -0.887 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -9.132 -11.278 -0.174 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -7.976 -10.874 -1.448 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.183 -11.577 -2.932 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.606 -12.010 -4.257 1.00 0.43 C ATOM 1390 C GLU A 88 -5.501 -13.520 -4.369 1.00 0.52 C ATOM 1391 O GLU A 88 -6.358 -14.189 -4.943 1.00 0.66 O ATOM 1392 CB GLU A 88 -4.748 -11.356 -5.315 1.00 0.48 C ATOM 1393 CG GLU A 88 -5.191 -9.952 -5.634 1.00 0.51 C ATOM 1394 CD GLU A 88 -6.211 -9.917 -6.745 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -7.406 -10.147 -6.462 1.00 1.49 O ATOM 1396 OE2 GLU A 88 -5.823 -9.652 -7.899 1.00 1.73 O ATOM 0 H GLU A 88 -4.451 -10.867 -2.934 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.644 -11.714 -4.409 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -3.712 -11.338 -4.977 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -4.777 -11.957 -6.224 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -5.614 -9.494 -4.740 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -4.325 -9.355 -5.919 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.437 -14.034 -3.793 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.183 -15.456 -3.751 1.00 0.63 C ATOM 1405 C PHE A 89 -4.843 -16.085 -2.528 1.00 0.66 C ATOM 1406 O PHE A 89 -5.003 -17.300 -2.448 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.672 -15.668 -3.721 1.00 0.73 C ATOM 1408 CG PHE A 89 -2.235 -17.105 -3.758 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -2.398 -17.863 -4.907 1.00 2.16 C ATOM 1410 CD2 PHE A 89 -1.654 -17.695 -2.647 1.00 1.71 C ATOM 1411 CE1 PHE A 89 -1.989 -19.183 -4.945 1.00 2.80 C ATOM 1412 CE2 PHE A 89 -1.244 -19.013 -2.680 1.00 2.38 C ATOM 1413 CZ PHE A 89 -1.412 -19.758 -3.830 1.00 2.70 C ATOM 0 H PHE A 89 -3.718 -13.472 -3.337 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.607 -15.937 -4.632 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.230 -15.147 -4.570 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.272 -15.205 -2.819 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -2.849 -17.418 -5.781 1.00 2.16 H new ATOM 0 HD2 PHE A 89 -1.520 -17.117 -1.745 1.00 1.71 H new ATOM 0 HE1 PHE A 89 -2.121 -19.764 -5.846 1.00 2.80 H new ATOM 0 HE2 PHE A 89 -0.792 -19.461 -1.807 1.00 2.38 H new ATOM 0 HZ PHE A 89 -1.093 -20.789 -3.858 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.243 -15.247 -1.582 1.00 0.60 N ATOM 1424 CA PHE A 90 -5.924 -15.709 -0.380 1.00 0.68 C ATOM 1425 C PHE A 90 -7.314 -16.206 -0.742 1.00 0.68 C ATOM 1426 O PHE A 90 -7.862 -17.103 -0.098 1.00 0.80 O ATOM 1427 CB PHE A 90 -6.002 -14.567 0.629 1.00 0.69 C ATOM 1428 CG PHE A 90 -6.566 -14.944 1.966 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -5.900 -15.839 2.786 1.00 1.53 C ATOM 1430 CD2 PHE A 90 -7.755 -14.392 2.411 1.00 1.46 C ATOM 1431 CE1 PHE A 90 -6.408 -16.176 4.026 1.00 1.64 C ATOM 1432 CE2 PHE A 90 -8.271 -14.727 3.648 1.00 1.59 C ATOM 1433 CZ PHE A 90 -7.596 -15.620 4.456 1.00 1.21 C ATOM 0 H PHE A 90 -5.107 -14.237 -1.624 1.00 0.60 H new ATOM 0 HA PHE A 90 -5.368 -16.533 0.068 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -5.001 -14.161 0.775 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -6.611 -13.768 0.206 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -4.972 -16.279 2.452 1.00 1.53 H new ATOM 0 HD2 PHE A 90 -8.286 -13.691 1.784 1.00 1.46 H new ATOM 0 HE1 PHE A 90 -5.877 -16.873 4.657 1.00 1.64 H new ATOM 0 HE2 PHE A 90 -9.201 -14.291 3.982 1.00 1.59 H new ATOM 0 HZ PHE A 90 -7.997 -15.883 5.424 1.00 1.21 H new ATOM 1443 N GLU A 91 -7.871 -15.622 -1.796 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.140 -16.080 -2.339 1.00 0.72 C ATOM 1445 C GLU A 91 -8.912 -17.317 -3.182 1.00 0.77 C ATOM 1446 O GLU A 91 -9.852 -17.968 -3.633 1.00 0.96 O ATOM 1447 CB GLU A 91 -9.786 -15.006 -3.208 1.00 0.83 C ATOM 1448 CG GLU A 91 -9.860 -13.650 -2.549 1.00 0.92 C ATOM 1449 CD GLU A 91 -10.608 -13.678 -1.232 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -11.601 -14.428 -1.130 1.00 2.23 O ATOM 1451 OE2 GLU A 91 -10.201 -12.957 -0.297 1.00 2.25 O ATOM 0 H GLU A 91 -7.462 -14.830 -2.291 1.00 0.61 H new ATOM 0 HA GLU A 91 -9.804 -16.304 -1.504 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -9.223 -14.917 -4.137 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.794 -15.325 -3.474 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -8.850 -13.277 -2.380 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -10.349 -12.949 -3.225 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.646 -17.613 -3.410 1.00 0.71 N ATOM 1459 CA GLY A 92 -7.273 -18.692 -4.292 1.00 0.82 C ATOM 1460 C GLY A 92 -7.111 -18.185 -5.703 1.00 0.81 C ATOM 1461 O GLY A 92 -6.177 -18.554 -6.416 1.00 0.92 O ATOM 0 H GLY A 92 -6.859 -17.116 -2.992 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -6.341 -19.143 -3.951 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -8.033 -19.472 -4.264 1.00 0.82 H new ATOM 1465 N PHE A 93 -8.032 -17.318 -6.082 1.00 0.76 N ATOM 1466 CA PHE A 93 -8.025 -16.657 -7.369 1.00 0.78 C ATOM 1467 C PHE A 93 -8.551 -15.245 -7.174 1.00 0.69 C ATOM 1468 O PHE A 93 -9.353 -15.006 -6.269 1.00 0.82 O ATOM 1469 CB PHE A 93 -8.911 -17.404 -8.376 1.00 1.00 C ATOM 1470 CG PHE A 93 -8.411 -18.774 -8.741 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -7.427 -18.931 -9.703 1.00 2.59 C ATOM 1472 CD2 PHE A 93 -8.927 -19.903 -8.126 1.00 2.41 C ATOM 1473 CE1 PHE A 93 -6.966 -20.187 -10.044 1.00 3.60 C ATOM 1474 CE2 PHE A 93 -8.469 -21.162 -8.463 1.00 3.46 C ATOM 1475 CZ PHE A 93 -7.487 -21.304 -9.424 1.00 3.91 C ATOM 0 H PHE A 93 -8.819 -17.050 -5.491 1.00 0.76 H new ATOM 0 HA PHE A 93 -7.010 -16.642 -7.765 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -9.915 -17.495 -7.962 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -8.993 -16.806 -9.284 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -7.015 -18.061 -10.192 1.00 2.59 H new ATOM 0 HD2 PHE A 93 -9.696 -19.798 -7.375 1.00 2.41 H new ATOM 0 HE1 PHE A 93 -6.198 -20.295 -10.796 1.00 3.60 H new ATOM 0 HE2 PHE A 93 -8.878 -22.034 -7.976 1.00 3.46 H new ATOM 0 HZ PHE A 93 -7.128 -22.287 -9.689 1.00 3.91 H new ATOM 1485 N PRO A 94 -8.083 -14.289 -7.982 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.593 -12.914 -7.967 1.00 0.61 C ATOM 1487 C PRO A 94 -10.026 -12.850 -8.484 1.00 0.71 C ATOM 1488 O PRO A 94 -10.312 -12.292 -9.543 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.648 -12.174 -8.902 1.00 0.65 C ATOM 1490 CG PRO A 94 -7.132 -13.229 -9.812 1.00 0.84 C ATOM 1491 CD PRO A 94 -7.005 -14.461 -8.963 1.00 0.83 C ATOM 0 HA PRO A 94 -8.623 -12.488 -6.964 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -8.167 -11.391 -9.455 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -6.839 -11.693 -8.352 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -7.813 -13.396 -10.647 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -6.170 -12.944 -10.238 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -7.132 -15.371 -9.549 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -6.028 -14.524 -8.484 1.00 0.83 H new ATOM 1499 N ASP A 95 -10.913 -13.407 -7.691 1.00 0.71 N ATOM 1500 CA ASP A 95 -12.305 -13.620 -8.075 1.00 0.88 C ATOM 1501 C ASP A 95 -13.138 -12.387 -7.764 1.00 0.84 C ATOM 1502 O ASP A 95 -14.338 -12.333 -8.030 1.00 0.96 O ATOM 1503 CB ASP A 95 -12.853 -14.847 -7.333 1.00 1.12 C ATOM 1504 CG ASP A 95 -14.270 -15.218 -7.733 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -14.457 -15.817 -8.812 1.00 2.16 O ATOM 1506 OD2 ASP A 95 -15.204 -14.931 -6.954 1.00 2.40 O ATOM 0 H ASP A 95 -10.694 -13.731 -6.749 1.00 0.71 H new ATOM 0 HA ASP A 95 -12.360 -13.798 -9.149 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.197 -15.697 -7.521 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -12.826 -14.654 -6.261 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.481 -11.381 -7.225 1.00 0.81 N ATOM 1512 CA LYS A 96 -13.150 -10.150 -6.860 1.00 0.86 C ATOM 1513 C LYS A 96 -13.018 -9.120 -7.971 1.00 0.84 C ATOM 1514 O LYS A 96 -13.677 -8.083 -7.944 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.602 -9.608 -5.533 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.142 -9.952 -5.275 1.00 0.94 C ATOM 1517 CD LYS A 96 -10.709 -9.514 -3.881 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.334 -10.046 -3.520 1.00 0.84 C ATOM 1519 NZ LYS A 96 -8.272 -9.308 -4.242 1.00 1.86 N ATOM 0 H LYS A 96 -11.480 -11.392 -7.029 1.00 0.81 H new ATOM 0 HA LYS A 96 -14.210 -10.361 -6.722 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -12.716 -8.524 -5.521 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -13.206 -10.001 -4.715 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -10.995 -11.027 -5.383 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -10.514 -9.467 -6.023 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -10.702 -8.425 -3.829 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -11.437 -9.863 -3.149 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -9.177 -9.957 -2.445 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -9.275 -11.107 -3.764 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -7.473 -9.133 -3.600 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -7.947 -9.872 -5.053 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -8.649 -8.400 -4.581 1.00 1.86 H new ATOM 1663 N SER B 3 8.411 -3.293 13.294 1.00 0.80 N ATOM 1664 CA SER B 3 7.808 -4.450 13.950 1.00 0.78 C ATOM 1665 C SER B 3 6.371 -4.710 13.411 1.00 0.65 C ATOM 1666 O SER B 3 6.084 -4.348 12.280 1.00 0.83 O ATOM 1667 CB SER B 3 7.828 -4.146 15.451 1.00 0.97 C ATOM 1668 OG SER B 3 8.945 -3.337 15.782 1.00 1.18 O ATOM 0 HA SER B 3 8.361 -5.366 13.745 1.00 0.78 H new ATOM 0 HB2 SER B 3 6.907 -3.638 15.737 1.00 0.97 H new ATOM 0 HB3 SER B 3 7.867 -5.078 16.016 1.00 0.97 H new ATOM 0 HG SER B 3 9.197 -2.794 15.006 1.00 1.18 H new ATOM 1674 N PRO B 4 5.481 -5.447 14.124 1.00 0.67 N ATOM 1675 CA PRO B 4 4.065 -5.602 13.743 1.00 0.62 C ATOM 1676 C PRO B 4 3.394 -4.434 12.969 1.00 0.47 C ATOM 1677 O PRO B 4 2.294 -4.617 12.490 1.00 0.50 O ATOM 1678 CB PRO B 4 3.407 -5.792 15.098 1.00 0.79 C ATOM 1679 CG PRO B 4 4.374 -6.648 15.837 1.00 0.97 C ATOM 1680 CD PRO B 4 5.750 -6.260 15.339 1.00 0.88 C ATOM 0 HA PRO B 4 3.960 -6.412 13.021 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.246 -4.840 15.603 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.433 -6.273 15.007 1.00 0.79 H new ATOM 0 HG2 PRO B 4 4.291 -6.490 16.912 1.00 0.97 H new ATOM 0 HG3 PRO B 4 4.178 -7.704 15.654 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.298 -5.688 16.088 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.352 -7.138 15.106 1.00 0.88 H new ATOM 1688 N LEU B 5 4.002 -3.240 12.882 1.00 0.36 N ATOM 1689 CA LEU B 5 3.431 -2.149 12.077 1.00 0.32 C ATOM 1690 C LEU B 5 3.308 -2.532 10.610 1.00 0.30 C ATOM 1691 O LEU B 5 2.254 -2.341 10.014 1.00 0.32 O ATOM 1692 CB LEU B 5 4.257 -0.868 12.185 1.00 0.32 C ATOM 1693 CG LEU B 5 3.902 0.237 11.174 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.863 1.583 11.871 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.904 0.283 10.027 1.00 0.27 C ATOM 0 H LEU B 5 4.877 -3.007 13.352 1.00 0.36 H new ATOM 0 HA LEU B 5 2.436 -1.967 12.484 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.142 -0.466 13.192 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.309 -1.124 12.063 1.00 0.32 H new ATOM 0 HG LEU B 5 2.920 0.009 10.760 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.611 2.360 11.149 1.00 0.41 H new ATOM 0 HD12 LEU B 5 3.111 1.563 12.659 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.839 1.796 12.307 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.624 1.074 9.331 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.900 0.483 10.422 1.00 0.27 H new ATOM 0 HD23 LEU B 5 4.905 -0.675 9.506 1.00 0.27 H new ATOM 1707 N GLU B 6 4.372 -3.056 10.011 1.00 0.35 N ATOM 1708 CA GLU B 6 4.296 -3.433 8.609 1.00 0.42 C ATOM 1709 C GLU B 6 3.313 -4.592 8.441 1.00 0.34 C ATOM 1710 O GLU B 6 2.568 -4.701 7.460 1.00 0.32 O ATOM 1711 CB GLU B 6 5.654 -3.801 8.039 1.00 0.62 C ATOM 1712 CG GLU B 6 6.576 -2.609 7.835 1.00 1.80 C ATOM 1713 CD GLU B 6 6.071 -1.630 6.795 1.00 2.84 C ATOM 1714 OE1 GLU B 6 5.295 -0.724 7.156 1.00 3.61 O ATOM 1715 OE2 GLU B 6 6.456 -1.763 5.615 1.00 3.32 O ATOM 0 H GLU B 6 5.272 -3.225 10.461 1.00 0.35 H new ATOM 0 HA GLU B 6 3.941 -2.567 8.050 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.138 -4.513 8.708 1.00 0.62 H new ATOM 0 HB3 GLU B 6 5.512 -4.307 7.084 1.00 0.62 H new ATOM 0 HG2 GLU B 6 6.700 -2.088 8.784 1.00 1.80 H new ATOM 0 HG3 GLU B 6 7.561 -2.968 7.538 1.00 1.80 H new ATOM 1722 N LYS B 7 3.303 -5.454 9.437 1.00 0.35 N ATOM 1723 CA LYS B 7 2.342 -6.536 9.502 1.00 0.36 C ATOM 1724 C LYS B 7 0.961 -5.981 9.853 1.00 0.32 C ATOM 1725 O LYS B 7 -0.047 -6.655 9.708 1.00 0.35 O ATOM 1726 CB LYS B 7 2.805 -7.612 10.488 1.00 0.44 C ATOM 1727 CG LYS B 7 4.200 -8.183 10.189 1.00 0.64 C ATOM 1728 CD LYS B 7 4.278 -8.935 8.854 1.00 0.80 C ATOM 1729 CE LYS B 7 4.462 -8.003 7.660 1.00 1.78 C ATOM 1730 NZ LYS B 7 3.978 -8.617 6.392 1.00 2.82 N ATOM 0 H LYS B 7 3.956 -5.425 10.220 1.00 0.35 H new ATOM 0 HA LYS B 7 2.268 -7.016 8.526 1.00 0.36 H new ATOM 0 HB2 LYS B 7 2.805 -7.191 11.494 1.00 0.44 H new ATOM 0 HB3 LYS B 7 2.082 -8.428 10.484 1.00 0.44 H new ATOM 0 HG2 LYS B 7 4.924 -7.368 10.181 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.488 -8.858 10.995 1.00 0.64 H new ATOM 0 HD2 LYS B 7 5.107 -9.642 8.888 1.00 0.80 H new ATOM 0 HD3 LYS B 7 3.367 -9.518 8.717 1.00 0.80 H new ATOM 0 HE2 LYS B 7 3.924 -7.072 7.840 1.00 1.78 H new ATOM 0 HE3 LYS B 7 5.517 -7.747 7.559 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 4.586 -8.314 5.605 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 4.009 -9.653 6.474 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 3.000 -8.313 6.210 1.00 2.82 H new ATOM 1744 N ALA B 8 0.934 -4.755 10.361 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.316 -4.057 10.627 1.00 0.29 C ATOM 1746 C ALA B 8 -0.904 -3.510 9.337 1.00 0.27 C ATOM 1747 O ALA B 8 -2.109 -3.314 9.245 1.00 0.28 O ATOM 1748 CB ALA B 8 -0.131 -2.941 11.641 1.00 0.32 C ATOM 0 H ALA B 8 1.770 -4.221 10.598 1.00 0.29 H new ATOM 0 HA ALA B 8 -1.012 -4.779 11.054 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -1.086 -2.444 11.813 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.235 -3.359 12.579 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.591 -2.219 11.259 1.00 0.32 H new ATOM 1754 N LEU B 9 -0.057 -3.244 8.340 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.582 -3.003 6.993 1.00 0.25 C ATOM 1756 C LEU B 9 -1.251 -4.289 6.524 1.00 0.25 C ATOM 1757 O LEU B 9 -2.249 -4.285 5.810 1.00 0.26 O ATOM 1758 CB LEU B 9 0.495 -2.601 5.972 1.00 0.26 C ATOM 1759 CG LEU B 9 1.806 -2.063 6.538 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.791 -1.793 5.415 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.598 -0.806 7.363 1.00 0.27 C ATOM 0 H LEU B 9 0.958 -3.191 8.431 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.277 -2.165 7.052 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.722 -3.471 5.355 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.073 -1.844 5.312 1.00 0.26 H new ATOM 0 HG LEU B 9 2.212 -2.827 7.201 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.722 -1.410 5.832 1.00 0.33 H new ATOM 0 HD12 LEU B 9 2.989 -2.719 4.875 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.370 -1.057 4.731 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.558 -0.459 7.746 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.154 -0.030 6.739 1.00 0.27 H new ATOM 0 HD23 LEU B 9 0.932 -1.025 8.198 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.684 -5.406 6.950 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.318 -6.708 6.723 1.00 0.28 C ATOM 1775 C ASP B 10 -2.627 -6.793 7.522 1.00 0.27 C ATOM 1776 O ASP B 10 -3.631 -7.360 7.072 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.370 -7.846 7.116 1.00 0.33 C ATOM 1778 CG ASP B 10 -0.902 -9.216 6.745 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.613 -9.828 7.571 1.00 1.18 O ATOM 1780 OD2 ASP B 10 -0.592 -9.694 5.632 1.00 1.15 O ATOM 0 H ASP B 10 0.204 -5.445 7.450 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.545 -6.811 5.662 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.594 -7.693 6.630 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.194 -7.810 8.191 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.623 -6.191 8.707 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.830 -6.073 9.507 1.00 0.27 C ATOM 1787 C VAL B 11 -4.843 -5.180 8.792 1.00 0.27 C ATOM 1788 O VAL B 11 -6.038 -5.289 9.019 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.522 -5.515 10.916 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.796 -5.281 11.705 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.606 -6.463 11.672 1.00 0.31 C ATOM 0 H VAL B 11 -1.793 -5.777 9.133 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.253 -7.070 9.631 1.00 0.27 H new ATOM 0 HB VAL B 11 -3.018 -4.556 10.793 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.547 -4.889 12.691 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.424 -4.563 11.177 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.334 -6.223 11.815 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.398 -6.056 12.662 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -3.091 -7.434 11.773 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.671 -6.580 11.124 1.00 0.31 H new ATOM 1801 N MET B 12 -4.355 -4.305 7.918 1.00 0.26 N ATOM 1802 CA MET B 12 -5.226 -3.517 7.050 1.00 0.29 C ATOM 1803 C MET B 12 -5.981 -4.432 6.084 1.00 0.29 C ATOM 1804 O MET B 12 -7.141 -4.178 5.750 1.00 0.33 O ATOM 1805 CB MET B 12 -4.427 -2.448 6.288 1.00 0.32 C ATOM 1806 CG MET B 12 -4.906 -2.218 4.863 1.00 0.98 C ATOM 1807 SD MET B 12 -4.188 -3.381 3.676 1.00 2.23 S ATOM 1808 CE MET B 12 -5.204 -3.084 2.235 1.00 2.75 C ATOM 0 H MET B 12 -3.359 -4.123 7.791 1.00 0.26 H new ATOM 0 HA MET B 12 -5.955 -3.000 7.674 1.00 0.29 H new ATOM 0 HB2 MET B 12 -4.483 -1.507 6.836 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.377 -2.741 6.265 1.00 0.32 H new ATOM 0 HG2 MET B 12 -5.992 -2.302 4.833 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.657 -1.201 4.562 1.00 0.98 H new ATOM 0 HE1 MET B 12 -4.598 -3.187 1.335 1.00 2.75 H new ATOM 0 HE2 MET B 12 -6.019 -3.808 2.209 1.00 2.75 H new ATOM 0 HE3 MET B 12 -5.616 -2.076 2.282 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.322 -5.495 5.627 1.00 0.29 N ATOM 1819 CA VAL B 13 -6.009 -6.531 4.856 1.00 0.31 C ATOM 1820 C VAL B 13 -7.193 -7.064 5.668 1.00 0.27 C ATOM 1821 O VAL B 13 -8.276 -7.333 5.132 1.00 0.27 O ATOM 1822 CB VAL B 13 -5.062 -7.699 4.471 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.824 -8.815 3.773 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.925 -7.211 3.582 1.00 0.42 C ATOM 0 H VAL B 13 -4.326 -5.661 5.774 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.361 -6.081 3.928 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.638 -8.093 5.395 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.135 -9.620 3.515 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.598 -9.199 4.438 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.286 -8.428 2.865 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.277 -8.049 3.327 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.336 -6.780 2.669 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.347 -6.454 4.113 1.00 0.42 H new ATOM 1834 N SER B 14 -6.989 -7.184 6.975 1.00 0.26 N ATOM 1835 CA SER B 14 -8.066 -7.573 7.884 1.00 0.26 C ATOM 1836 C SER B 14 -9.074 -6.431 8.066 1.00 0.25 C ATOM 1837 O SER B 14 -10.281 -6.669 8.141 1.00 0.25 O ATOM 1838 CB SER B 14 -7.485 -7.998 9.234 1.00 0.31 C ATOM 1839 OG SER B 14 -6.407 -8.902 9.053 1.00 1.18 O ATOM 0 H SER B 14 -6.091 -7.019 7.430 1.00 0.26 H new ATOM 0 HA SER B 14 -8.596 -8.419 7.446 1.00 0.26 H new ATOM 0 HB2 SER B 14 -7.142 -7.120 9.781 1.00 0.31 H new ATOM 0 HB3 SER B 14 -8.262 -8.466 9.839 1.00 0.31 H new ATOM 0 HG SER B 14 -6.047 -9.161 9.927 1.00 1.18 H new ATOM 1845 N THR B 15 -8.567 -5.200 8.129 1.00 0.28 N ATOM 1846 CA THR B 15 -9.395 -3.999 8.147 1.00 0.32 C ATOM 1847 C THR B 15 -10.452 -4.077 7.047 1.00 0.28 C ATOM 1848 O THR B 15 -11.635 -3.781 7.262 1.00 0.29 O ATOM 1849 CB THR B 15 -8.521 -2.744 7.934 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.626 -2.581 9.042 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.369 -1.494 7.769 1.00 0.93 C ATOM 0 H THR B 15 -7.566 -5.009 8.169 1.00 0.28 H new ATOM 0 HA THR B 15 -9.887 -3.930 9.117 1.00 0.32 H new ATOM 0 HB THR B 15 -7.949 -2.885 7.017 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.188 -1.707 8.983 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.720 -0.631 7.621 1.00 0.93 H new ATOM 0 HG22 THR B 15 -10.022 -1.609 6.904 1.00 0.93 H new ATOM 0 HG23 THR B 15 -9.974 -1.344 8.663 1.00 0.93 H new ATOM 1859 N PHE B 16 -10.010 -4.512 5.875 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.884 -4.643 4.729 1.00 0.27 C ATOM 1861 C PHE B 16 -11.958 -5.715 4.942 1.00 0.29 C ATOM 1862 O PHE B 16 -13.143 -5.445 4.732 1.00 0.37 O ATOM 1863 CB PHE B 16 -10.073 -4.946 3.474 1.00 0.34 C ATOM 1864 CG PHE B 16 -10.899 -4.909 2.228 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.608 -6.020 1.818 1.00 1.73 C ATOM 1866 CD2 PHE B 16 -10.973 -3.758 1.472 1.00 1.65 C ATOM 1867 CE1 PHE B 16 -12.375 -5.987 0.679 1.00 2.34 C ATOM 1868 CE2 PHE B 16 -11.742 -3.718 0.331 1.00 2.27 C ATOM 1869 CZ PHE B 16 -12.443 -4.835 -0.064 1.00 2.36 C ATOM 0 H PHE B 16 -9.042 -4.781 5.698 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.397 -3.690 4.602 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.261 -4.224 3.388 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.615 -5.930 3.572 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -11.559 -6.928 2.401 1.00 1.73 H new ATOM 0 HD2 PHE B 16 -10.423 -2.880 1.778 1.00 1.65 H new ATOM 0 HE1 PHE B 16 -12.923 -6.865 0.369 1.00 2.34 H new ATOM 0 HE2 PHE B 16 -11.795 -2.811 -0.254 1.00 2.27 H new ATOM 0 HZ PHE B 16 -13.047 -4.805 -0.959 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.547 -6.926 5.349 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.507 -8.012 5.634 1.00 0.40 C ATOM 1881 C HIS B 17 -13.584 -7.536 6.591 1.00 0.36 C ATOM 1882 O HIS B 17 -14.744 -7.934 6.498 1.00 0.42 O ATOM 1883 CB HIS B 17 -11.821 -9.225 6.282 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.134 -10.177 5.350 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -9.760 -10.300 5.271 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -11.641 -11.105 4.505 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -9.457 -11.264 4.418 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -10.578 -11.766 3.941 1.00 2.20 N ATOM 0 H HIS B 17 -10.569 -7.180 5.488 1.00 0.31 H new ATOM 0 HA HIS B 17 -12.938 -8.301 4.676 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -11.087 -8.859 7.000 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -12.570 -9.780 6.847 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -12.687 -11.291 4.311 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -8.460 -11.585 4.157 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -10.645 -12.524 3.262 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.177 -6.674 7.500 1.00 0.34 N ATOM 1898 CA LYS B 18 -14.035 -6.193 8.558 1.00 0.39 C ATOM 1899 C LYS B 18 -15.206 -5.381 8.000 1.00 0.37 C ATOM 1900 O LYS B 18 -16.362 -5.728 8.229 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.193 -5.363 9.515 1.00 0.43 C ATOM 1902 CG LYS B 18 -13.944 -4.795 10.703 1.00 0.54 C ATOM 1903 CD LYS B 18 -13.008 -3.983 11.581 1.00 0.73 C ATOM 1904 CE LYS B 18 -12.185 -3.020 10.742 1.00 0.79 C ATOM 1905 NZ LYS B 18 -11.415 -2.058 11.564 1.00 1.28 N ATOM 0 H LYS B 18 -12.234 -6.286 7.524 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.470 -7.039 9.090 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.374 -5.981 9.884 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.745 -4.539 8.960 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.764 -4.167 10.356 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -14.386 -5.605 11.283 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -13.585 -3.427 12.320 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -12.346 -4.652 12.131 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.497 -3.588 10.115 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -12.847 -2.471 10.073 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -10.846 -1.448 10.943 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -12.071 -1.472 12.118 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -10.786 -2.578 12.209 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.908 -4.326 7.247 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.961 -3.455 6.719 1.00 0.29 C ATOM 1921 C TYR B 19 -16.699 -4.089 5.554 1.00 0.33 C ATOM 1922 O TYR B 19 -17.919 -3.983 5.461 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.407 -2.099 6.308 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.136 -1.208 7.487 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -13.972 -1.341 8.214 1.00 1.28 C ATOM 1926 CD2 TYR B 19 -16.056 -0.247 7.888 1.00 1.23 C ATOM 1927 CE1 TYR B 19 -13.725 -0.544 9.303 1.00 1.35 C ATOM 1928 CE2 TYR B 19 -15.813 0.556 8.985 1.00 1.26 C ATOM 1929 CZ TYR B 19 -14.640 0.399 9.687 1.00 0.62 C ATOM 1930 OH TYR B 19 -14.373 1.185 10.780 1.00 0.79 O ATOM 0 H TYR B 19 -13.960 -4.053 6.989 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.675 -3.310 7.530 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.485 -2.242 5.745 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -16.115 -1.608 5.640 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.244 -2.083 7.922 1.00 1.28 H new ATOM 0 HD2 TYR B 19 -16.975 -0.126 7.333 1.00 1.23 H new ATOM 0 HE1 TYR B 19 -12.806 -0.661 9.859 1.00 1.35 H new ATOM 0 HE2 TYR B 19 -16.536 1.299 9.289 1.00 1.26 H new ATOM 0 HH TYR B 19 -13.405 1.215 10.933 1.00 0.79 H new ATOM 1940 N SER B 20 -15.971 -4.744 4.671 1.00 0.29 N ATOM 1941 CA SER B 20 -16.591 -5.400 3.533 1.00 0.32 C ATOM 1942 C SER B 20 -17.503 -6.514 4.018 1.00 0.40 C ATOM 1943 O SER B 20 -18.587 -6.735 3.482 1.00 0.60 O ATOM 1944 CB SER B 20 -15.516 -5.959 2.619 1.00 0.35 C ATOM 1945 OG SER B 20 -14.538 -4.977 2.355 1.00 0.86 O ATOM 0 H SER B 20 -14.956 -4.837 4.717 1.00 0.29 H new ATOM 0 HA SER B 20 -17.186 -4.677 2.976 1.00 0.32 H new ATOM 0 HB2 SER B 20 -15.051 -6.829 3.083 1.00 0.35 H new ATOM 0 HB3 SER B 20 -15.963 -6.297 1.684 1.00 0.35 H new ATOM 0 HG SER B 20 -13.675 -5.411 2.190 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.074 -7.177 5.078 1.00 0.37 N ATOM 1952 CA GLY B 21 -17.837 -8.268 5.631 1.00 0.43 C ATOM 1953 C GLY B 21 -18.998 -7.803 6.476 1.00 0.41 C ATOM 1954 O GLY B 21 -19.570 -8.585 7.233 1.00 0.46 O ATOM 0 H GLY B 21 -16.202 -6.975 5.568 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.212 -8.891 4.819 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.181 -8.894 6.236 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.358 -6.534 6.357 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.468 -6.016 7.139 1.00 0.46 C ATOM 1960 C LYS B 22 -21.766 -6.209 6.381 1.00 0.52 C ATOM 1961 O LYS B 22 -22.716 -6.812 6.885 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.288 -4.544 7.482 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.053 -4.248 8.312 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.000 -2.793 8.775 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.231 -1.807 7.633 1.00 0.49 C ATOM 1966 NZ LYS B 22 -20.673 -1.487 7.450 1.00 1.08 N ATOM 0 H LYS B 22 -18.909 -5.857 5.740 1.00 0.41 H new ATOM 0 HA LYS B 22 -20.497 -6.573 8.076 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.237 -3.970 6.557 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.168 -4.198 8.024 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.037 -4.904 9.182 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.162 -4.473 7.726 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -19.753 -2.633 9.547 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.030 -2.595 9.231 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -18.679 -0.888 7.831 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -18.833 -2.225 6.708 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -20.926 -1.584 6.446 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -21.249 -2.142 8.017 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -20.854 -0.511 7.759 1.00 1.08 H new ATOM 1980 N GLU B 23 -21.789 -5.707 5.160 1.00 0.47 N ATOM 1981 CA GLU B 23 -22.948 -5.825 4.304 1.00 0.54 C ATOM 1982 C GLU B 23 -22.494 -5.885 2.852 1.00 0.58 C ATOM 1983 O GLU B 23 -21.606 -5.138 2.445 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.892 -4.644 4.533 1.00 0.67 C ATOM 1985 CG GLU B 23 -25.199 -4.749 3.773 1.00 1.15 C ATOM 1986 CD GLU B 23 -26.167 -3.645 4.134 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -26.079 -2.555 3.535 1.00 2.38 O ATOM 1988 OE2 GLU B 23 -27.015 -3.859 5.022 1.00 1.96 O ATOM 0 H GLU B 23 -21.006 -5.208 4.738 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.490 -6.740 4.542 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -24.108 -4.565 5.599 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -23.386 -3.724 4.241 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -24.997 -4.716 2.702 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -25.660 -5.715 3.980 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.082 -6.791 2.090 1.00 0.72 N ATOM 1996 CA GLY B 24 -22.677 -6.971 0.715 1.00 0.85 C ATOM 1997 C GLY B 24 -21.637 -8.059 0.579 1.00 0.79 C ATOM 1998 O GLY B 24 -21.779 -9.136 1.160 1.00 0.92 O ATOM 0 H GLY B 24 -23.834 -7.406 2.400 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -23.547 -7.221 0.109 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -22.277 -6.034 0.327 1.00 0.85 H new ATOM 2002 N ASP B 25 -20.580 -7.775 -0.157 1.00 0.71 N ATOM 2003 CA ASP B 25 -19.523 -8.747 -0.379 1.00 0.70 C ATOM 2004 C ASP B 25 -18.425 -8.577 0.658 1.00 0.73 C ATOM 2005 O ASP B 25 -17.977 -7.472 0.924 1.00 1.34 O ATOM 2006 CB ASP B 25 -18.931 -8.599 -1.783 1.00 0.72 C ATOM 2007 CG ASP B 25 -19.922 -8.944 -2.878 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -20.047 -10.137 -3.218 1.00 1.64 O ATOM 2009 OD2 ASP B 25 -20.569 -8.021 -3.412 1.00 1.75 O ATOM 0 H ASP B 25 -20.429 -6.876 -0.614 1.00 0.71 H new ATOM 0 HA ASP B 25 -19.956 -9.743 -0.286 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -18.586 -7.574 -1.921 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.057 -9.244 -1.874 1.00 0.72 H new ATOM 2014 N LYS B 26 -17.973 -9.693 1.206 1.00 0.61 N ATOM 2015 CA LYS B 26 -16.948 -9.704 2.245 1.00 0.56 C ATOM 2016 C LYS B 26 -15.604 -9.342 1.632 1.00 0.49 C ATOM 2017 O LYS B 26 -14.624 -9.070 2.328 1.00 0.55 O ATOM 2018 CB LYS B 26 -16.896 -11.103 2.891 1.00 0.71 C ATOM 2019 CG LYS B 26 -15.637 -11.398 3.703 1.00 1.03 C ATOM 2020 CD LYS B 26 -15.661 -10.771 5.091 1.00 0.70 C ATOM 2021 CE LYS B 26 -16.643 -11.481 6.010 1.00 0.94 C ATOM 2022 NZ LYS B 26 -16.538 -11.014 7.419 1.00 1.56 N ATOM 0 H LYS B 26 -18.305 -10.621 0.944 1.00 0.61 H new ATOM 0 HA LYS B 26 -17.186 -8.971 3.016 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -17.763 -11.218 3.541 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -16.986 -11.852 2.104 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -15.519 -12.477 3.800 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -14.767 -11.030 3.160 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -14.662 -10.810 5.526 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -15.933 -9.719 5.011 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -17.658 -11.316 5.650 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -16.462 -12.555 5.971 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -16.425 -11.834 8.049 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -15.715 -10.386 7.516 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -17.401 -10.495 7.678 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.589 -9.305 0.315 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.369 -9.102 -0.423 1.00 0.43 C ATOM 2038 C PHE B 27 -14.427 -7.796 -1.198 1.00 0.39 C ATOM 2039 O PHE B 27 -13.526 -7.495 -1.983 1.00 0.40 O ATOM 2040 CB PHE B 27 -14.143 -10.279 -1.379 1.00 0.49 C ATOM 2041 CG PHE B 27 -14.533 -11.608 -0.788 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -13.708 -12.257 0.118 1.00 1.76 C ATOM 2043 CD2 PHE B 27 -15.736 -12.201 -1.134 1.00 1.28 C ATOM 2044 CE1 PHE B 27 -14.079 -13.471 0.665 1.00 2.08 C ATOM 2045 CE2 PHE B 27 -16.109 -13.414 -0.591 1.00 1.59 C ATOM 2046 CZ PHE B 27 -15.280 -14.050 0.310 1.00 1.65 C ATOM 0 H PHE B 27 -16.420 -9.415 -0.267 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.536 -9.046 0.278 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -14.716 -10.113 -2.291 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -13.091 -10.310 -1.664 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -12.766 -11.809 0.399 1.00 1.76 H new ATOM 0 HD2 PHE B 27 -16.390 -11.708 -1.838 1.00 1.28 H new ATOM 0 HE1 PHE B 27 -13.429 -13.967 1.371 1.00 2.08 H new ATOM 0 HE2 PHE B 27 -17.049 -13.865 -0.871 1.00 1.59 H new ATOM 0 HZ PHE B 27 -15.570 -14.999 0.736 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.484 -7.013 -0.967 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.656 -5.749 -1.662 1.00 0.36 C ATOM 2058 C LYS B 28 -16.398 -4.732 -0.808 1.00 0.34 C ATOM 2059 O LYS B 28 -17.417 -5.033 -0.190 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.405 -5.903 -2.986 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.794 -6.893 -3.961 1.00 0.49 C ATOM 2062 CD LYS B 28 -16.489 -6.817 -5.306 1.00 0.56 C ATOM 2063 CE LYS B 28 -16.290 -8.088 -6.108 1.00 0.86 C ATOM 2064 NZ LYS B 28 -17.078 -8.079 -7.368 1.00 1.70 N ATOM 0 H LYS B 28 -16.227 -7.237 -0.305 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.646 -5.394 -1.866 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -17.428 -6.212 -2.773 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.460 -4.928 -3.470 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.731 -6.683 -4.083 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -15.875 -7.903 -3.560 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -17.555 -6.643 -5.157 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -16.103 -5.967 -5.868 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -15.232 -8.207 -6.343 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -16.581 -8.947 -5.504 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -16.914 -8.965 -7.886 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -18.090 -7.991 -7.144 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -16.783 -7.274 -7.956 1.00 1.70 H new ATOM 2078 N LEU B 29 -15.882 -3.523 -0.807 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.514 -2.410 -0.146 1.00 0.28 C ATOM 2080 C LEU B 29 -17.417 -1.687 -1.113 1.00 0.30 C ATOM 2081 O LEU B 29 -16.959 -0.971 -2.004 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.471 -1.425 0.365 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.556 -1.943 1.458 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.330 -1.067 1.544 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.284 -1.967 2.789 1.00 0.25 C ATOM 0 H LEU B 29 -15.004 -3.286 -1.270 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.090 -2.798 0.694 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -14.856 -1.106 -0.477 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -15.986 -0.540 0.737 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.252 -2.962 1.218 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.672 -1.439 2.329 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -12.803 -1.084 0.590 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.629 -0.044 1.775 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.614 -2.341 3.563 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.607 -0.958 3.045 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.154 -2.619 2.716 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.693 -1.863 -0.915 1.00 0.31 N ATOM 2098 CA ASN B 30 -19.694 -1.110 -1.627 1.00 0.35 C ATOM 2099 C ASN B 30 -19.706 0.288 -1.036 1.00 0.32 C ATOM 2100 O ASN B 30 -19.101 0.491 0.012 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.035 -1.814 -1.467 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.365 -2.046 -0.010 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -22.100 -1.267 0.587 1.00 0.55 O ATOM 2104 ND2 ASN B 30 -20.783 -3.093 0.590 1.00 0.42 N ATOM 0 H ASN B 30 -19.073 -2.537 -0.251 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.485 -1.041 -2.695 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -21.820 -1.215 -1.929 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.012 -2.768 -1.993 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -20.945 -3.267 1.582 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -20.178 -3.716 0.055 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.365 1.245 -1.682 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.280 2.644 -1.255 1.00 0.34 C ATOM 2113 C LYS B 31 -20.519 2.801 0.246 1.00 0.31 C ATOM 2114 O LYS B 31 -19.817 3.556 0.915 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.297 3.523 -1.974 1.00 0.41 C ATOM 2116 CG LYS B 31 -20.975 3.845 -3.418 1.00 0.68 C ATOM 2117 CD LYS B 31 -21.818 5.018 -3.892 1.00 0.71 C ATOM 2118 CE LYS B 31 -21.653 5.277 -5.376 1.00 1.15 C ATOM 2119 NZ LYS B 31 -22.377 4.274 -6.201 1.00 1.99 N ATOM 0 H LYS B 31 -20.959 1.084 -2.495 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.268 2.960 -1.507 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.268 3.029 -1.938 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.395 4.459 -1.424 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -19.916 4.084 -3.518 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -21.166 2.974 -4.044 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -22.868 4.821 -3.674 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -21.539 5.913 -3.335 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -22.022 6.275 -5.613 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -20.593 5.260 -5.631 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -22.238 4.488 -7.209 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -22.008 3.324 -5.995 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -23.392 4.308 -5.977 1.00 1.99 H new ATOM 2133 N SER B 32 -21.523 2.090 0.746 1.00 0.34 N ATOM 2134 CA SER B 32 -21.882 2.114 2.162 1.00 0.37 C ATOM 2135 C SER B 32 -20.666 1.843 3.024 1.00 0.34 C ATOM 2136 O SER B 32 -20.233 2.664 3.839 1.00 0.37 O ATOM 2137 CB SER B 32 -22.902 1.009 2.424 1.00 0.45 C ATOM 2138 OG SER B 32 -23.846 0.924 1.364 1.00 1.33 O ATOM 0 H SER B 32 -22.113 1.479 0.181 1.00 0.34 H new ATOM 0 HA SER B 32 -22.288 3.096 2.406 1.00 0.37 H new ATOM 0 HB2 SER B 32 -22.388 0.054 2.535 1.00 0.45 H new ATOM 0 HB3 SER B 32 -23.421 1.203 3.363 1.00 0.45 H new ATOM 0 HG SER B 32 -23.606 0.182 0.770 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.129 0.671 2.799 1.00 0.32 N ATOM 2145 CA GLU B 33 -19.010 0.150 3.539 1.00 0.34 C ATOM 2146 C GLU B 33 -17.750 0.966 3.264 1.00 0.30 C ATOM 2147 O GLU B 33 -16.949 1.214 4.166 1.00 0.32 O ATOM 2148 CB GLU B 33 -18.836 -1.299 3.112 1.00 0.44 C ATOM 2149 CG GLU B 33 -19.818 -2.275 3.757 1.00 0.59 C ATOM 2150 CD GLU B 33 -21.207 -1.719 4.006 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -21.396 -1.012 5.015 1.00 2.15 O ATOM 2152 OE2 GLU B 33 -22.123 -2.013 3.217 1.00 2.32 O ATOM 0 H GLU B 33 -20.468 0.036 2.076 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.189 0.212 4.612 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.942 -1.360 2.029 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -17.821 -1.615 3.351 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -19.904 -3.154 3.119 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -19.402 -2.610 4.707 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.597 1.375 2.010 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.511 2.249 1.588 1.00 0.33 C ATOM 2161 C LEU B 34 -16.489 3.520 2.436 1.00 0.29 C ATOM 2162 O LEU B 34 -15.449 3.899 2.968 1.00 0.30 O ATOM 2163 CB LEU B 34 -16.681 2.606 0.105 1.00 0.50 C ATOM 2164 CG LEU B 34 -15.528 3.393 -0.528 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.286 2.523 -0.600 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -15.913 3.910 -1.916 1.00 0.54 C ATOM 0 H LEU B 34 -18.227 1.108 1.254 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.564 1.727 1.725 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -16.818 1.683 -0.458 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -17.597 3.187 -0.007 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.313 4.259 0.098 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -13.471 3.089 -1.051 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -14.000 2.213 0.405 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.494 1.641 -1.206 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -15.077 4.465 -2.342 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.157 3.068 -2.563 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -16.779 4.566 -1.832 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.650 4.161 2.564 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.789 5.374 3.367 1.00 0.29 C ATOM 2180 C LYS B 35 -17.260 5.180 4.776 1.00 0.29 C ATOM 2181 O LYS B 35 -16.339 5.876 5.206 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.253 5.780 3.482 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.818 6.499 2.276 1.00 0.39 C ATOM 2184 CD LYS B 35 -21.310 6.707 2.447 1.00 0.51 C ATOM 2185 CE LYS B 35 -21.851 7.737 1.482 1.00 0.70 C ATOM 2186 NZ LYS B 35 -23.315 7.934 1.645 1.00 1.29 N ATOM 0 H LYS B 35 -18.515 3.856 2.117 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.211 6.146 2.859 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -19.849 4.885 3.664 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.368 6.422 4.355 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.321 7.461 2.150 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.625 5.919 1.373 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.828 5.760 2.295 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.517 7.023 3.469 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -21.337 8.686 1.638 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -21.638 7.424 0.460 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -23.647 8.648 0.965 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -23.808 7.035 1.471 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -23.516 8.258 2.613 1.00 1.29 H new ATOM 2200 N GLU B 36 -17.852 4.228 5.486 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.543 4.023 6.890 1.00 0.32 C ATOM 2202 C GLU B 36 -16.092 3.662 7.072 1.00 0.31 C ATOM 2203 O GLU B 36 -15.429 4.181 7.962 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.426 2.940 7.485 1.00 0.36 C ATOM 2205 CG GLU B 36 -19.888 3.178 7.210 1.00 0.37 C ATOM 2206 CD GLU B 36 -20.793 2.288 8.031 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.016 1.126 7.640 1.00 1.14 O ATOM 2208 OE2 GLU B 36 -21.290 2.748 9.079 1.00 1.31 O ATOM 0 H GLU B 36 -18.550 3.586 5.109 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.738 4.959 7.414 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.135 1.972 7.077 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.264 2.893 8.562 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.127 4.221 7.418 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.085 3.011 6.151 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.598 2.789 6.217 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.205 2.414 6.266 1.00 0.26 C ATOM 2217 C LEU B 37 -13.332 3.649 6.072 1.00 0.27 C ATOM 2218 O LEU B 37 -12.431 3.900 6.850 1.00 0.31 O ATOM 2219 CB LEU B 37 -13.901 1.346 5.210 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.488 0.776 5.263 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.471 -0.677 4.822 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.561 1.607 4.400 1.00 0.50 C ATOM 0 H LEU B 37 -16.140 2.330 5.485 1.00 0.27 H new ATOM 0 HA LEU B 37 -13.982 1.986 7.243 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.612 0.528 5.326 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -14.067 1.775 4.222 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.138 0.816 6.295 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.451 -1.060 4.869 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.110 -1.265 5.481 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.839 -0.751 3.799 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.554 1.192 4.444 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.914 1.594 3.369 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.547 2.634 4.765 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.626 4.444 5.058 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.846 5.646 4.796 1.00 0.29 C ATOM 2236 C LEU B 38 -12.888 6.614 5.979 1.00 0.30 C ATOM 2237 O LEU B 38 -11.851 7.052 6.459 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.337 6.334 3.524 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.541 6.001 2.260 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.114 6.504 2.389 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.549 4.506 1.983 1.00 0.43 C ATOM 0 H LEU B 38 -14.393 4.283 4.405 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.809 5.343 4.655 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.380 6.061 3.361 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.310 7.413 3.679 1.00 0.31 H new ATOM 0 HG LEU B 38 -13.019 6.503 1.419 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.559 6.260 1.483 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.121 7.585 2.531 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.637 6.028 3.246 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -11.976 4.300 1.079 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -12.101 3.978 2.825 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.576 4.167 1.846 1.00 0.43 H new ATOM 2253 N THR B 39 -14.086 6.952 6.433 1.00 0.31 N ATOM 2254 CA THR B 39 -14.254 7.832 7.590 1.00 0.33 C ATOM 2255 C THR B 39 -13.539 7.308 8.848 1.00 0.34 C ATOM 2256 O THR B 39 -12.934 8.075 9.597 1.00 0.38 O ATOM 2257 CB THR B 39 -15.748 8.023 7.927 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.357 6.764 8.255 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.498 8.645 6.762 1.00 0.34 C ATOM 0 H THR B 39 -14.961 6.631 6.019 1.00 0.31 H new ATOM 0 HA THR B 39 -13.803 8.782 7.305 1.00 0.33 H new ATOM 0 HB THR B 39 -15.805 8.693 8.785 1.00 0.33 H new ATOM 0 HG1 THR B 39 -15.807 6.033 7.903 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.548 8.767 7.029 1.00 0.34 H new ATOM 0 HG22 THR B 39 -16.067 9.619 6.530 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.419 7.996 5.890 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.614 6.002 9.063 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.184 5.385 10.321 1.00 0.36 C ATOM 2269 C ARG B 40 -11.752 4.869 10.283 1.00 0.40 C ATOM 2270 O ARG B 40 -11.026 4.989 11.270 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.179 4.279 10.680 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.407 4.807 11.405 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.534 3.788 11.442 1.00 0.56 C ATOM 2274 NE ARG B 40 -16.162 2.566 12.152 1.00 1.16 N ATOM 2275 CZ ARG B 40 -16.757 2.132 13.262 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -17.728 2.844 13.823 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -16.373 0.988 13.818 1.00 2.31 N ATOM 0 H ARG B 40 -13.972 5.338 8.377 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.180 6.151 11.097 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.492 3.768 9.770 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -13.682 3.539 11.307 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.135 5.082 12.424 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -15.756 5.714 10.912 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -17.405 4.232 11.923 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.826 3.537 10.422 1.00 0.56 H new ATOM 0 HE ARG B 40 -15.396 2.009 11.773 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.021 3.727 13.404 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -18.181 2.508 14.673 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -15.623 0.442 13.395 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -16.829 0.656 14.668 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.339 4.312 9.167 1.00 0.40 N ATOM 2292 CA GLU B 41 -9.984 3.801 9.039 1.00 0.46 C ATOM 2293 C GLU B 41 -9.060 4.909 8.548 1.00 0.54 C ATOM 2294 O GLU B 41 -7.890 4.958 8.896 1.00 0.85 O ATOM 2295 CB GLU B 41 -9.955 2.620 8.063 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.082 1.606 8.260 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.245 1.112 9.686 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -11.847 1.825 10.513 1.00 1.02 O ATOM 2299 OE2 GLU B 41 -10.810 -0.017 9.992 1.00 1.30 O ATOM 0 H GLU B 41 -11.917 4.199 8.334 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.640 3.456 10.014 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -10.004 3.006 7.045 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -8.999 2.106 8.163 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.020 2.057 7.936 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -10.900 0.749 7.611 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.594 5.839 7.776 1.00 0.40 N ATOM 2307 CA LEU B 42 -8.774 6.917 7.244 1.00 0.41 C ATOM 2308 C LEU B 42 -9.359 8.302 7.541 1.00 0.37 C ATOM 2309 O LEU B 42 -9.660 9.062 6.616 1.00 0.35 O ATOM 2310 CB LEU B 42 -8.590 6.723 5.741 1.00 0.44 C ATOM 2311 CG LEU B 42 -7.763 5.495 5.359 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -7.966 5.142 3.903 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.292 5.744 5.637 1.00 0.74 C ATOM 0 H LEU B 42 -10.577 5.872 7.506 1.00 0.40 H new ATOM 0 HA LEU B 42 -7.806 6.875 7.743 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -9.572 6.644 5.274 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.111 7.611 5.328 1.00 0.44 H new ATOM 0 HG LEU B 42 -8.100 4.655 5.966 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -7.368 4.265 3.654 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -9.019 4.925 3.725 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -7.658 5.981 3.279 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -5.715 4.862 5.360 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -5.951 6.599 5.053 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.152 5.951 6.698 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.507 8.655 8.840 1.00 0.40 N ATOM 2326 CA PRO B 43 -9.967 9.984 9.264 1.00 0.43 C ATOM 2327 C PRO B 43 -9.207 11.110 8.589 1.00 0.45 C ATOM 2328 O PRO B 43 -9.785 12.107 8.187 1.00 0.49 O ATOM 2329 CB PRO B 43 -9.659 10.001 10.753 1.00 0.50 C ATOM 2330 CG PRO B 43 -9.767 8.581 11.169 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.268 7.778 10.004 1.00 0.44 C ATOM 0 HA PRO B 43 -11.016 10.140 9.011 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -8.663 10.397 10.948 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -10.364 10.629 11.297 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.172 8.388 12.061 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -10.798 8.321 11.411 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.211 7.534 10.110 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -9.805 6.834 9.910 1.00 0.44 H new ATOM 2339 N SER B 44 -7.905 10.947 8.485 1.00 0.45 N ATOM 2340 CA SER B 44 -7.077 11.937 7.835 1.00 0.47 C ATOM 2341 C SER B 44 -7.475 12.086 6.366 1.00 0.44 C ATOM 2342 O SER B 44 -7.892 13.165 5.927 1.00 0.45 O ATOM 2343 CB SER B 44 -5.611 11.536 7.960 1.00 0.51 C ATOM 2344 OG SER B 44 -4.753 12.462 7.315 1.00 0.59 O ATOM 0 H SER B 44 -7.398 10.137 8.843 1.00 0.45 H new ATOM 0 HA SER B 44 -7.222 12.902 8.321 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.342 11.466 9.014 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.467 10.546 7.528 1.00 0.51 H new ATOM 0 HG SER B 44 -3.822 12.172 7.418 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.420 10.972 5.635 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.596 10.998 4.189 1.00 0.41 C ATOM 2352 C PHE B 45 -8.986 11.485 3.809 1.00 0.41 C ATOM 2353 O PHE B 45 -9.136 12.514 3.150 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.359 9.619 3.572 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.315 9.672 2.068 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -6.131 9.965 1.408 1.00 1.83 C ATOM 2357 CD2 PHE B 45 -8.459 9.456 1.316 1.00 1.81 C ATOM 2358 CE1 PHE B 45 -6.089 10.038 0.029 1.00 2.38 C ATOM 2359 CE2 PHE B 45 -8.422 9.526 -0.064 1.00 2.37 C ATOM 2360 CZ PHE B 45 -7.236 9.818 -0.708 1.00 2.40 C ATOM 0 H PHE B 45 -7.255 10.043 6.023 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.855 11.694 3.795 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.421 9.211 3.948 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -8.151 8.940 3.887 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.231 10.138 1.979 1.00 1.83 H new ATOM 0 HD2 PHE B 45 -9.390 9.230 1.814 1.00 1.81 H new ATOM 0 HE1 PHE B 45 -5.160 10.267 -0.472 1.00 2.38 H new ATOM 0 HE2 PHE B 45 -9.320 9.352 -0.638 1.00 2.37 H new ATOM 0 HZ PHE B 45 -7.205 9.874 -1.786 1.00 2.40 H new ATOM 2370 N LEU B 46 -10.004 10.747 4.228 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.360 11.056 3.814 1.00 0.57 C ATOM 2372 C LEU B 46 -12.025 12.005 4.783 1.00 0.65 C ATOM 2373 O LEU B 46 -12.874 12.780 4.379 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.199 9.789 3.673 1.00 0.67 C ATOM 2375 CG LEU B 46 -13.022 9.679 2.391 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -14.423 10.180 2.655 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -12.370 10.461 1.259 1.00 0.54 C ATOM 0 H LEU B 46 -9.917 9.941 4.846 1.00 0.45 H new ATOM 0 HA LEU B 46 -11.295 11.540 2.840 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -11.535 8.927 3.731 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -12.877 9.727 4.524 1.00 0.67 H new ATOM 0 HG LEU B 46 -13.067 8.634 2.083 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -15.015 10.104 1.743 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -14.883 9.577 3.438 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.383 11.221 2.975 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -12.974 10.367 0.357 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -12.296 11.512 1.539 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -11.372 10.064 1.070 1.00 0.54 H new ATOM 2389 N GLY B 47 -11.637 11.957 6.050 1.00 0.74 N ATOM 2390 CA GLY B 47 -12.221 12.855 7.035 1.00 0.90 C ATOM 2391 C GLY B 47 -11.970 14.306 6.684 1.00 0.89 C ATOM 2392 O GLY B 47 -12.708 15.197 7.105 1.00 0.99 O ATOM 0 H GLY B 47 -10.932 11.317 6.415 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -13.294 12.676 7.100 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -11.802 12.640 8.018 1.00 0.90 H new ATOM 2396 N LYS B 48 -10.918 14.538 5.905 1.00 0.79 N ATOM 2397 CA LYS B 48 -10.621 15.863 5.382 1.00 0.82 C ATOM 2398 C LYS B 48 -11.637 16.284 4.307 1.00 0.78 C ATOM 2399 O LYS B 48 -11.574 17.397 3.781 1.00 0.87 O ATOM 2400 CB LYS B 48 -9.211 15.865 4.812 1.00 0.81 C ATOM 2401 CG LYS B 48 -8.606 17.250 4.677 1.00 1.08 C ATOM 2402 CD LYS B 48 -7.125 17.171 4.373 1.00 1.51 C ATOM 2403 CE LYS B 48 -6.498 18.552 4.285 1.00 2.27 C ATOM 2404 NZ LYS B 48 -5.032 18.484 4.049 1.00 3.17 N ATOM 0 H LYS B 48 -10.254 13.818 5.621 1.00 0.79 H new ATOM 0 HA LYS B 48 -10.692 16.586 6.195 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.570 15.260 5.452 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -9.225 15.388 3.832 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -9.115 17.796 3.883 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -8.762 17.810 5.599 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -6.624 16.592 5.149 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -6.974 16.641 3.432 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -6.969 19.113 3.478 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -6.692 19.098 5.209 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -4.644 19.447 3.996 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -4.578 17.971 4.831 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -4.847 17.986 3.155 1.00 3.17 H new ATOM 2418 N ARG B 49 -12.572 15.395 3.981 1.00 0.73 N ATOM 2419 CA ARG B 49 -13.589 15.688 2.979 1.00 0.81 C ATOM 2420 C ARG B 49 -14.938 15.066 3.342 1.00 0.74 C ATOM 2421 O ARG B 49 -15.881 15.775 3.689 1.00 1.00 O ATOM 2422 CB ARG B 49 -13.145 15.199 1.612 1.00 0.95 C ATOM 2423 CG ARG B 49 -14.009 15.745 0.497 1.00 1.17 C ATOM 2424 CD ARG B 49 -13.273 15.692 -0.818 1.00 1.01 C ATOM 2425 NE ARG B 49 -14.056 16.252 -1.917 1.00 1.61 N ATOM 2426 CZ ARG B 49 -13.875 15.935 -3.199 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -12.958 15.036 -3.543 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -14.616 16.516 -4.136 1.00 2.50 N ATOM 0 H ARG B 49 -12.645 14.467 4.397 1.00 0.73 H new ATOM 0 HA ARG B 49 -13.715 16.770 2.951 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -12.109 15.493 1.443 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -13.175 14.110 1.591 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -14.931 15.167 0.428 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -14.293 16.773 0.720 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -12.335 16.239 -0.728 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -13.018 14.657 -1.047 1.00 1.01 H new ATOM 0 HE ARG B 49 -14.786 16.927 -1.689 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -12.390 14.586 -2.825 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -12.822 14.796 -4.525 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -15.322 17.204 -3.874 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -14.479 16.274 -5.117 1.00 2.50 H new ATOM 2442 N THR B 50 -15.003 13.737 3.272 1.00 0.75 N ATOM 2443 CA THR B 50 -16.230 12.968 3.508 1.00 0.72 C ATOM 2444 C THR B 50 -17.434 13.573 2.784 1.00 0.82 C ATOM 2445 O THR B 50 -18.470 13.858 3.390 1.00 1.33 O ATOM 2446 CB THR B 50 -16.547 12.815 5.010 1.00 0.73 C ATOM 2447 OG1 THR B 50 -16.582 14.093 5.663 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.508 11.934 5.675 1.00 0.63 C ATOM 0 H THR B 50 -14.196 13.154 3.047 1.00 0.75 H new ATOM 0 HA THR B 50 -16.041 11.976 3.098 1.00 0.72 H new ATOM 0 HB THR B 50 -17.530 12.352 5.101 1.00 0.73 H new ATOM 0 HG1 THR B 50 -16.688 14.800 4.993 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.741 11.833 6.735 1.00 0.63 H new ATOM 0 HG22 THR B 50 -15.512 10.950 5.207 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.522 12.385 5.562 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.286 13.771 1.485 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.334 14.378 0.675 1.00 0.61 C ATOM 2458 C ASP B 51 -18.879 13.348 -0.303 1.00 0.58 C ATOM 2459 O ASP B 51 -18.240 12.313 -0.510 1.00 0.54 O ATOM 2460 CB ASP B 51 -17.768 15.588 -0.080 1.00 0.68 C ATOM 2461 CG ASP B 51 -18.818 16.365 -0.851 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -19.431 17.280 -0.270 1.00 1.77 O ATOM 2463 OD2 ASP B 51 -19.019 16.076 -2.048 1.00 2.01 O ATOM 0 H ASP B 51 -16.446 13.519 0.964 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.146 14.717 1.319 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -17.283 16.256 0.632 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -16.998 15.247 -0.772 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.043 13.601 -0.887 1.00 0.67 N ATOM 2469 CA GLU B 52 -20.584 12.693 -1.890 1.00 0.71 C ATOM 2470 C GLU B 52 -19.606 12.536 -3.027 1.00 0.66 C ATOM 2471 O GLU B 52 -19.261 11.421 -3.412 1.00 0.63 O ATOM 2472 CB GLU B 52 -21.926 13.178 -2.424 1.00 0.87 C ATOM 2473 CG GLU B 52 -23.019 13.151 -1.382 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.331 13.689 -1.902 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -24.507 14.924 -1.921 1.00 1.90 O ATOM 2476 OE2 GLU B 52 -25.194 12.879 -2.295 1.00 1.82 O ATOM 0 H GLU B 52 -20.624 14.415 -0.688 1.00 0.67 H new ATOM 0 HA GLU B 52 -20.744 11.728 -1.410 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -21.815 14.195 -2.800 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.221 12.556 -3.269 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -23.162 12.127 -1.037 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -22.707 13.738 -0.518 1.00 0.95 H new ATOM 2483 N ALA B 53 -19.128 13.664 -3.520 1.00 0.71 N ATOM 2484 CA ALA B 53 -18.160 13.678 -4.602 1.00 0.76 C ATOM 2485 C ALA B 53 -16.891 12.940 -4.195 1.00 0.66 C ATOM 2486 O ALA B 53 -16.227 12.321 -5.020 1.00 0.68 O ATOM 2487 CB ALA B 53 -17.839 15.107 -4.998 1.00 0.91 C ATOM 0 H ALA B 53 -19.397 14.589 -3.185 1.00 0.71 H new ATOM 0 HA ALA B 53 -18.592 13.166 -5.462 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -17.112 15.105 -5.810 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -18.750 15.607 -5.328 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -17.424 15.638 -4.141 1.00 0.91 H new ATOM 2493 N ALA B 54 -16.573 12.997 -2.913 1.00 0.59 N ATOM 2494 CA ALA B 54 -15.392 12.327 -2.386 1.00 0.58 C ATOM 2495 C ALA B 54 -15.520 10.817 -2.504 1.00 0.48 C ATOM 2496 O ALA B 54 -14.712 10.182 -3.170 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.151 12.718 -0.941 1.00 0.64 C ATOM 0 H ALA B 54 -17.117 13.502 -2.214 1.00 0.59 H new ATOM 0 HA ALA B 54 -14.537 12.647 -2.982 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.264 12.206 -0.568 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.002 13.796 -0.876 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -16.014 12.434 -0.338 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.538 10.243 -1.864 1.00 0.46 N ATOM 2504 CA PHE B 55 -16.731 8.796 -1.908 1.00 0.42 C ATOM 2505 C PHE B 55 -17.004 8.339 -3.331 1.00 0.44 C ATOM 2506 O PHE B 55 -16.516 7.303 -3.768 1.00 0.45 O ATOM 2507 CB PHE B 55 -17.849 8.353 -0.946 1.00 0.43 C ATOM 2508 CG PHE B 55 -19.279 8.652 -1.347 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -19.900 7.976 -2.390 1.00 1.87 C ATOM 2510 CD2 PHE B 55 -20.014 9.590 -0.643 1.00 1.97 C ATOM 2511 CE1 PHE B 55 -21.215 8.244 -2.725 1.00 2.69 C ATOM 2512 CE2 PHE B 55 -21.332 9.852 -0.971 1.00 2.77 C ATOM 2513 CZ PHE B 55 -21.930 9.182 -2.015 1.00 2.95 C ATOM 0 H PHE B 55 -17.233 10.750 -1.316 1.00 0.46 H new ATOM 0 HA PHE B 55 -15.811 8.317 -1.573 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -17.759 7.277 -0.800 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -17.666 8.822 0.021 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -19.349 7.232 -2.946 1.00 1.87 H new ATOM 0 HD2 PHE B 55 -19.552 10.125 0.174 1.00 1.97 H new ATOM 0 HE1 PHE B 55 -21.681 7.717 -3.544 1.00 2.69 H new ATOM 0 HE2 PHE B 55 -21.893 10.583 -0.408 1.00 2.77 H new ATOM 0 HZ PHE B 55 -22.957 9.392 -2.276 1.00 2.95 H new ATOM 2523 N GLN B 56 -17.788 9.132 -4.032 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.088 8.899 -5.447 1.00 0.54 C ATOM 2525 C GLN B 56 -16.811 8.786 -6.276 1.00 0.53 C ATOM 2526 O GLN B 56 -16.589 7.778 -6.952 1.00 0.56 O ATOM 2527 CB GLN B 56 -18.964 10.033 -5.989 1.00 0.62 C ATOM 2528 CG GLN B 56 -19.141 10.024 -7.500 1.00 0.76 C ATOM 2529 CD GLN B 56 -19.872 8.799 -8.007 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -21.097 8.790 -8.110 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -19.126 7.754 -8.327 1.00 0.87 N ATOM 0 H GLN B 56 -18.240 9.960 -3.644 1.00 0.48 H new ATOM 0 HA GLN B 56 -18.626 7.954 -5.526 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -19.946 9.973 -5.520 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -18.527 10.987 -5.692 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -19.689 10.917 -7.801 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -18.161 10.077 -7.975 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -18.112 7.802 -8.227 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -19.565 6.901 -8.674 1.00 0.87 H new ATOM 2540 N LYS B 57 -15.982 9.819 -6.227 1.00 0.51 N ATOM 2541 CA LYS B 57 -14.758 9.842 -7.011 1.00 0.51 C ATOM 2542 C LYS B 57 -13.777 8.792 -6.516 1.00 0.47 C ATOM 2543 O LYS B 57 -13.209 8.052 -7.312 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.114 11.232 -6.988 1.00 0.55 C ATOM 2545 CG LYS B 57 -14.331 12.021 -8.275 1.00 0.76 C ATOM 2546 CD LYS B 57 -15.808 12.264 -8.561 1.00 1.00 C ATOM 2547 CE LYS B 57 -16.363 13.420 -7.744 1.00 0.86 C ATOM 2548 NZ LYS B 57 -15.759 14.720 -8.140 1.00 1.60 N ATOM 0 H LYS B 57 -16.135 10.649 -5.654 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.020 9.607 -8.043 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -14.520 11.799 -6.150 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.044 11.126 -6.812 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -13.815 12.978 -8.203 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -13.885 11.480 -9.110 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -15.942 12.473 -9.622 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -16.374 11.359 -8.340 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -17.444 13.468 -7.872 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -16.175 13.240 -6.686 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -16.382 15.497 -7.842 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -14.831 14.825 -7.682 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -15.641 14.748 -9.173 1.00 1.60 H new ATOM 2562 N LEU B 58 -13.603 8.707 -5.204 1.00 0.45 N ATOM 2563 CA LEU B 58 -12.683 7.744 -4.620 1.00 0.43 C ATOM 2564 C LEU B 58 -13.061 6.335 -5.030 1.00 0.42 C ATOM 2565 O LEU B 58 -12.205 5.547 -5.421 1.00 0.41 O ATOM 2566 CB LEU B 58 -12.682 7.846 -3.100 1.00 0.43 C ATOM 2567 CG LEU B 58 -11.483 7.197 -2.424 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.189 7.784 -2.964 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -11.569 7.382 -0.923 1.00 0.40 C ATOM 0 H LEU B 58 -14.088 9.294 -4.525 1.00 0.45 H new ATOM 0 HA LEU B 58 -11.683 7.972 -4.989 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -12.715 8.899 -2.819 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -13.592 7.385 -2.717 1.00 0.43 H new ATOM 0 HG LEU B 58 -11.491 6.129 -2.643 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.341 7.310 -2.471 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.130 7.607 -4.038 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.168 8.857 -2.771 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -10.706 6.914 -0.449 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -11.580 8.446 -0.688 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -12.483 6.919 -0.551 1.00 0.40 H new ATOM 2581 N MET B 59 -14.347 6.035 -4.944 1.00 0.45 N ATOM 2582 CA MET B 59 -14.872 4.759 -5.399 1.00 0.48 C ATOM 2583 C MET B 59 -14.407 4.485 -6.815 1.00 0.48 C ATOM 2584 O MET B 59 -13.709 3.513 -7.063 1.00 0.48 O ATOM 2585 CB MET B 59 -16.393 4.768 -5.357 1.00 0.54 C ATOM 2586 CG MET B 59 -17.017 3.506 -5.904 1.00 0.57 C ATOM 2587 SD MET B 59 -18.789 3.673 -6.155 1.00 1.64 S ATOM 2588 CE MET B 59 -18.803 4.878 -7.474 1.00 2.39 C ATOM 0 H MET B 59 -15.051 6.665 -4.560 1.00 0.45 H new ATOM 0 HA MET B 59 -14.503 3.975 -4.738 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.720 4.909 -4.327 1.00 0.54 H new ATOM 0 HB3 MET B 59 -16.760 5.622 -5.927 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.541 3.249 -6.850 1.00 0.57 H new ATOM 0 HG3 MET B 59 -16.826 2.682 -5.217 1.00 0.57 H new ATOM 0 HE1 MET B 59 -19.809 4.954 -7.887 1.00 2.39 H new ATOM 0 HE2 MET B 59 -18.497 5.848 -7.084 1.00 2.39 H new ATOM 0 HE3 MET B 59 -18.112 4.568 -8.258 1.00 2.39 H new ATOM 2598 N SER B 60 -14.755 5.383 -7.723 1.00 0.49 N ATOM 2599 CA SER B 60 -14.415 5.223 -9.131 1.00 0.52 C ATOM 2600 C SER B 60 -12.895 5.152 -9.337 1.00 0.51 C ATOM 2601 O SER B 60 -12.412 4.582 -10.317 1.00 0.55 O ATOM 2602 CB SER B 60 -15.026 6.363 -9.951 1.00 0.55 C ATOM 2603 OG SER B 60 -14.658 7.633 -9.442 1.00 1.34 O ATOM 0 H SER B 60 -15.275 6.234 -7.510 1.00 0.49 H new ATOM 0 HA SER B 60 -14.833 4.278 -9.478 1.00 0.52 H new ATOM 0 HB2 SER B 60 -14.702 6.279 -10.988 1.00 0.55 H new ATOM 0 HB3 SER B 60 -16.112 6.271 -9.948 1.00 0.55 H new ATOM 0 HG SER B 60 -14.102 7.517 -8.643 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.144 5.723 -8.400 1.00 0.48 N ATOM 2610 CA ASN B 61 -10.690 5.727 -8.480 1.00 0.50 C ATOM 2611 C ASN B 61 -10.121 4.356 -8.179 1.00 0.49 C ATOM 2612 O ASN B 61 -9.284 3.838 -8.917 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.088 6.730 -7.490 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.299 8.172 -7.898 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -10.356 8.490 -9.085 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -10.412 9.059 -6.918 1.00 0.57 N ATOM 0 H ASN B 61 -12.521 6.190 -7.575 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.430 6.014 -9.499 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -10.530 6.569 -6.507 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -9.019 6.539 -7.394 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -10.552 10.045 -7.137 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.359 8.755 -5.946 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.574 3.782 -7.083 1.00 0.44 N ATOM 2624 CA LEU B 62 -10.037 2.528 -6.599 1.00 0.43 C ATOM 2625 C LEU B 62 -10.685 1.383 -7.347 1.00 0.48 C ATOM 2626 O LEU B 62 -10.013 0.520 -7.890 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.315 2.400 -5.104 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.242 3.709 -4.321 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.546 3.471 -2.851 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -8.890 4.380 -4.512 1.00 0.35 C ATOM 0 H LEU B 62 -11.321 4.169 -6.506 1.00 0.44 H new ATOM 0 HA LEU B 62 -8.960 2.500 -6.765 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.307 1.968 -4.970 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.601 1.697 -4.675 1.00 0.38 H new ATOM 0 HG LEU B 62 -11.001 4.387 -4.711 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.489 4.416 -2.310 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.548 3.055 -2.749 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -9.819 2.772 -2.438 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -8.862 5.310 -3.945 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.101 3.716 -4.159 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -8.737 4.595 -5.570 1.00 0.35 H new ATOM 2642 N ASP B 63 -12.001 1.433 -7.388 1.00 0.48 N ATOM 2643 CA ASP B 63 -12.834 0.448 -8.053 1.00 0.53 C ATOM 2644 C ASP B 63 -12.621 0.515 -9.568 1.00 0.57 C ATOM 2645 O ASP B 63 -13.418 1.084 -10.303 1.00 0.62 O ATOM 2646 CB ASP B 63 -14.289 0.743 -7.652 1.00 0.56 C ATOM 2647 CG ASP B 63 -15.350 0.041 -8.465 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -15.409 -1.199 -8.452 1.00 1.24 O ATOM 2649 OD2 ASP B 63 -16.163 0.745 -9.098 1.00 1.34 O ATOM 0 H ASP B 63 -12.537 2.181 -6.947 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.575 -0.567 -7.753 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.420 0.469 -6.605 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.455 1.818 -7.724 1.00 0.56 H new ATOM 2654 N SER B 64 -11.506 -0.042 -10.021 1.00 0.58 N ATOM 2655 CA SER B 64 -11.160 -0.035 -11.440 1.00 0.64 C ATOM 2656 C SER B 64 -12.087 -0.959 -12.219 1.00 0.65 C ATOM 2657 O SER B 64 -12.362 -0.742 -13.399 1.00 0.75 O ATOM 2658 CB SER B 64 -9.709 -0.467 -11.635 1.00 0.72 C ATOM 2659 OG SER B 64 -8.850 0.222 -10.742 1.00 1.38 O ATOM 0 H SER B 64 -10.821 -0.507 -9.425 1.00 0.58 H new ATOM 0 HA SER B 64 -11.279 0.981 -11.817 1.00 0.64 H new ATOM 0 HB2 SER B 64 -9.621 -1.541 -11.474 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.403 -0.272 -12.663 1.00 0.72 H new ATOM 0 HG SER B 64 -7.926 -0.072 -10.884 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.567 -1.988 -11.538 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.529 -2.923 -12.108 1.00 0.72 C ATOM 2667 C ASN B 65 -14.882 -2.249 -12.300 1.00 0.69 C ATOM 2668 O ASN B 65 -15.756 -2.745 -13.012 1.00 0.77 O ATOM 2669 CB ASN B 65 -13.659 -4.139 -11.197 1.00 0.79 C ATOM 2670 CG ASN B 65 -13.985 -3.731 -9.784 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -13.091 -3.490 -8.975 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -15.259 -3.663 -9.476 1.00 1.16 N ATOM 0 H ASN B 65 -12.302 -2.200 -10.576 1.00 0.63 H new ATOM 0 HA ASN B 65 -13.174 -3.248 -13.086 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -14.439 -4.799 -11.577 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -12.728 -4.706 -11.209 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -15.542 -3.401 -8.532 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -15.966 -3.872 -10.181 1.00 1.16 H new ATOM 2679 N ARG B 66 -15.006 -1.096 -11.647 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.164 -0.225 -11.721 1.00 0.60 C ATOM 2681 C ARG B 66 -17.473 -0.946 -11.465 1.00 0.60 C ATOM 2682 O ARG B 66 -18.453 -0.769 -12.187 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.188 0.531 -13.036 1.00 0.67 C ATOM 2684 CG ARG B 66 -15.046 1.525 -13.164 1.00 0.70 C ATOM 2685 CD ARG B 66 -15.136 2.637 -12.122 1.00 0.70 C ATOM 2686 NE ARG B 66 -14.151 3.686 -12.374 1.00 0.78 N ATOM 2687 CZ ARG B 66 -14.438 4.875 -12.901 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -15.685 5.178 -13.243 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -13.476 5.769 -13.075 1.00 1.15 N ATOM 0 H ARG B 66 -14.276 -0.735 -11.033 1.00 0.60 H new ATOM 0 HA ARG B 66 -16.063 0.498 -10.911 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -16.138 -0.181 -13.860 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -17.136 1.060 -13.129 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -14.096 1.002 -13.055 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -15.056 1.962 -14.162 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -16.138 3.067 -12.132 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -14.978 2.219 -11.128 1.00 0.70 H new ATOM 0 HE ARG B 66 -13.179 3.495 -12.130 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -16.432 4.498 -13.103 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -15.896 6.091 -13.646 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -12.518 5.546 -12.806 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -13.693 6.680 -13.478 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.482 -1.724 -10.403 1.00 0.58 N ATOM 2704 CA ASP B 67 -18.702 -2.351 -9.920 1.00 0.61 C ATOM 2705 C ASP B 67 -19.229 -1.535 -8.761 1.00 0.56 C ATOM 2706 O ASP B 67 -20.252 -1.859 -8.157 1.00 0.57 O ATOM 2707 CB ASP B 67 -18.457 -3.793 -9.473 1.00 0.69 C ATOM 2708 CG ASP B 67 -18.222 -4.732 -10.635 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -19.209 -5.163 -11.264 1.00 1.72 O ATOM 2710 OD2 ASP B 67 -17.049 -5.055 -10.920 1.00 1.63 O ATOM 0 H ASP B 67 -16.652 -1.941 -9.851 1.00 0.58 H new ATOM 0 HA ASP B 67 -19.429 -2.382 -10.732 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -17.594 -3.821 -8.808 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -19.315 -4.141 -8.897 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.489 -0.469 -8.466 1.00 0.53 N ATOM 2716 CA ASN B 68 -18.800 0.454 -7.385 1.00 0.51 C ATOM 2717 C ASN B 68 -18.591 -0.216 -6.049 1.00 0.46 C ATOM 2718 O ASN B 68 -19.230 0.122 -5.049 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.212 1.022 -7.524 1.00 0.58 C ATOM 2720 CG ASN B 68 -20.353 1.867 -8.774 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -21.455 2.077 -9.278 1.00 1.08 O ATOM 2722 ND2 ASN B 68 -19.226 2.333 -9.303 1.00 0.66 N ATOM 0 H ASN B 68 -17.644 -0.221 -8.981 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.116 1.300 -7.447 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -20.932 0.204 -7.554 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -20.450 1.625 -6.648 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -19.255 2.888 -10.159 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -18.332 2.136 -8.853 1.00 0.66 H new ATOM 2729 N GLU B 69 -17.674 -1.170 -6.050 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.298 -1.888 -4.854 1.00 0.42 C ATOM 2731 C GLU B 69 -15.806 -2.162 -4.898 1.00 0.40 C ATOM 2732 O GLU B 69 -15.319 -2.892 -5.761 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.072 -3.198 -4.754 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.573 -3.022 -4.921 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.312 -4.321 -5.145 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -19.925 -5.087 -6.050 1.00 1.31 O ATOM 2737 OE2 GLU B 69 -21.296 -4.580 -4.424 1.00 1.29 O ATOM 0 H GLU B 69 -17.170 -1.466 -6.886 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.537 -1.286 -3.977 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -17.707 -3.887 -5.515 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -17.872 -3.657 -3.786 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -19.974 -2.534 -4.033 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -19.761 -2.356 -5.763 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.095 -1.575 -3.962 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.636 -1.672 -3.917 1.00 0.36 C ATOM 2746 C VAL B 70 -13.192 -2.991 -3.306 1.00 0.35 C ATOM 2747 O VAL B 70 -13.600 -3.328 -2.209 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.036 -0.509 -3.103 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.557 -0.730 -2.848 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.258 0.805 -3.825 1.00 0.36 C ATOM 0 H VAL B 70 -15.500 -1.018 -3.210 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.275 -1.618 -4.944 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.542 -0.471 -2.139 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.158 0.105 -2.272 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.418 -1.655 -2.289 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.030 -0.799 -3.800 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -12.830 1.619 -3.240 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -12.777 0.769 -4.803 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.327 0.974 -3.953 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.354 -3.731 -4.014 1.00 0.37 N ATOM 2761 CA ASP B 71 -11.873 -5.017 -3.514 1.00 0.39 C ATOM 2762 C ASP B 71 -10.605 -4.833 -2.678 1.00 0.37 C ATOM 2763 O ASP B 71 -10.057 -3.732 -2.621 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.596 -5.991 -4.667 1.00 0.45 C ATOM 2765 CG ASP B 71 -10.126 -6.038 -5.061 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -9.652 -5.106 -5.723 1.00 1.35 O ATOM 2767 OD2 ASP B 71 -9.431 -7.007 -4.668 1.00 1.42 O ATOM 0 H ASP B 71 -11.992 -3.469 -4.931 1.00 0.37 H new ATOM 0 HA ASP B 71 -12.656 -5.438 -2.884 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -11.922 -6.990 -4.378 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -12.190 -5.700 -5.533 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.158 -5.909 -2.019 1.00 0.41 N ATOM 2773 CA PHE B 72 -8.930 -5.882 -1.212 1.00 0.44 C ATOM 2774 C PHE B 72 -7.796 -5.223 -1.968 1.00 0.40 C ATOM 2775 O PHE B 72 -7.113 -4.335 -1.456 1.00 0.42 O ATOM 2776 CB PHE B 72 -8.471 -7.295 -0.858 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.363 -8.030 0.084 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -10.423 -8.777 -0.392 1.00 1.69 C ATOM 2779 CD2 PHE B 72 -9.123 -7.997 1.445 1.00 1.70 C ATOM 2780 CE1 PHE B 72 -11.231 -9.477 0.472 1.00 2.18 C ATOM 2781 CE2 PHE B 72 -9.934 -8.692 2.314 1.00 2.17 C ATOM 2782 CZ PHE B 72 -10.989 -9.435 1.826 1.00 2.15 C ATOM 0 H PHE B 72 -10.630 -6.813 -2.029 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.167 -5.320 -0.309 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -8.383 -7.873 -1.778 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -7.474 -7.238 -0.421 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -10.619 -8.811 -1.454 1.00 1.69 H new ATOM 0 HD2 PHE B 72 -8.294 -7.422 1.829 1.00 1.70 H new ATOM 0 HE1 PHE B 72 -12.055 -10.060 0.088 1.00 2.18 H new ATOM 0 HE2 PHE B 72 -9.744 -8.656 3.377 1.00 2.17 H new ATOM 0 HZ PHE B 72 -11.624 -9.983 2.506 1.00 2.15 H new ATOM 2792 N GLN B 73 -7.608 -5.676 -3.193 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.499 -5.229 -4.005 1.00 0.37 C ATOM 2794 C GLN B 73 -6.627 -3.746 -4.337 1.00 0.36 C ATOM 2795 O GLN B 73 -5.689 -2.988 -4.123 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.386 -6.067 -5.279 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.262 -5.613 -6.188 1.00 0.50 C ATOM 2798 CD GLN B 73 -5.760 -4.970 -7.459 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -5.803 -5.603 -8.510 1.00 0.62 O ATOM 2800 NE2 GLN B 73 -6.209 -3.735 -7.349 1.00 0.41 N ATOM 0 H GLN B 73 -8.215 -6.358 -3.648 1.00 0.38 H new ATOM 0 HA GLN B 73 -5.584 -5.365 -3.429 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.228 -7.111 -5.008 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.329 -6.019 -5.824 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.631 -4.905 -5.651 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -4.637 -6.469 -6.441 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -6.152 -3.249 -6.454 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.614 -3.265 -8.159 1.00 0.41 H new ATOM 2809 N GLU B 74 -7.780 -3.332 -4.857 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.007 -1.928 -5.187 1.00 0.39 C ATOM 2811 C GLU B 74 -7.912 -1.046 -3.948 1.00 0.38 C ATOM 2812 O GLU B 74 -7.488 0.105 -4.025 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.358 -1.753 -5.874 1.00 0.44 C ATOM 2814 CG GLU B 74 -9.444 -2.472 -7.214 1.00 0.59 C ATOM 2815 CD GLU B 74 -8.475 -1.938 -8.260 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -7.510 -1.227 -7.906 1.00 2.04 O ATOM 2817 OE2 GLU B 74 -8.668 -2.242 -9.451 1.00 2.18 O ATOM 0 H GLU B 74 -8.569 -3.947 -5.058 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.224 -1.614 -5.877 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.144 -2.126 -5.217 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.547 -0.690 -6.026 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -9.249 -3.533 -7.060 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -10.461 -2.387 -7.597 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.289 -1.595 -2.801 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.167 -0.882 -1.542 1.00 0.36 C ATOM 2826 C TYR B 75 -6.693 -0.761 -1.142 1.00 0.34 C ATOM 2827 O TYR B 75 -6.262 0.256 -0.604 1.00 0.34 O ATOM 2828 CB TYR B 75 -8.960 -1.594 -0.446 1.00 0.43 C ATOM 2829 CG TYR B 75 -8.837 -0.932 0.911 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -9.205 0.395 1.089 1.00 1.50 C ATOM 2831 CD2 TYR B 75 -8.340 -1.627 2.008 1.00 1.72 C ATOM 2832 CE1 TYR B 75 -9.084 1.010 2.319 1.00 1.86 C ATOM 2833 CE2 TYR B 75 -8.216 -1.016 3.245 1.00 2.09 C ATOM 2834 CZ TYR B 75 -8.587 0.303 3.394 1.00 1.84 C ATOM 2835 OH TYR B 75 -8.479 0.916 4.622 1.00 2.33 O ATOM 0 H TYR B 75 -8.682 -2.533 -2.719 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.577 0.120 -1.669 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.011 -1.628 -0.732 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -8.617 -2.626 -0.371 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -9.592 0.955 0.251 1.00 1.50 H new ATOM 0 HD2 TYR B 75 -8.046 -2.660 1.894 1.00 1.72 H new ATOM 0 HE1 TYR B 75 -9.378 2.042 2.439 1.00 1.86 H new ATOM 0 HE2 TYR B 75 -7.831 -1.570 4.088 1.00 2.09 H new ATOM 0 HH TYR B 75 -7.533 1.001 4.863 1.00 2.33 H new ATOM 2845 N SER B 76 -5.923 -1.807 -1.419 1.00 0.35 N ATOM 2846 CA SER B 76 -4.490 -1.796 -1.152 1.00 0.36 C ATOM 2847 C SER B 76 -3.796 -0.809 -2.085 1.00 0.36 C ATOM 2848 O SER B 76 -2.862 -0.104 -1.694 1.00 0.41 O ATOM 2849 CB SER B 76 -3.909 -3.202 -1.335 1.00 0.41 C ATOM 2850 OG SER B 76 -2.536 -3.238 -0.995 1.00 1.21 O ATOM 0 H SER B 76 -6.268 -2.675 -1.829 1.00 0.35 H new ATOM 0 HA SER B 76 -4.322 -1.483 -0.122 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.459 -3.909 -0.713 1.00 0.41 H new ATOM 0 HB3 SER B 76 -4.038 -3.520 -2.370 1.00 0.41 H new ATOM 0 HG SER B 76 -2.406 -2.824 -0.117 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.288 -0.753 -3.315 1.00 0.35 N ATOM 2857 CA VAL B 77 -3.783 0.168 -4.319 1.00 0.36 C ATOM 2858 C VAL B 77 -4.121 1.587 -3.902 1.00 0.33 C ATOM 2859 O VAL B 77 -3.354 2.520 -4.113 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.395 -0.134 -5.706 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -4.086 0.973 -6.699 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -3.888 -1.469 -6.228 1.00 0.43 C ATOM 0 H VAL B 77 -5.050 -1.347 -3.643 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.702 0.049 -4.396 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.478 -0.188 -5.590 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.530 0.730 -7.664 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.499 1.914 -6.335 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -3.006 1.070 -6.811 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.328 -1.668 -7.205 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -2.802 -1.436 -6.318 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.170 -2.262 -5.535 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.281 1.720 -3.290 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.715 2.970 -2.707 1.00 0.29 C ATOM 2874 C PHE B 78 -4.731 3.452 -1.648 1.00 0.27 C ATOM 2875 O PHE B 78 -4.172 4.542 -1.752 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.091 2.776 -2.079 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.562 3.954 -1.275 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.338 5.250 -1.710 1.00 1.18 C ATOM 2879 CD2 PHE B 78 -8.216 3.757 -0.075 1.00 1.23 C ATOM 2880 CE1 PHE B 78 -7.763 6.324 -0.963 1.00 1.19 C ATOM 2881 CE2 PHE B 78 -8.641 4.829 0.675 1.00 1.24 C ATOM 2882 CZ PHE B 78 -8.414 6.114 0.232 1.00 0.37 C ATOM 0 H PHE B 78 -5.951 0.959 -3.184 1.00 0.32 H new ATOM 0 HA PHE B 78 -5.764 3.724 -3.493 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -7.815 2.574 -2.868 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.066 1.896 -1.436 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -6.825 5.419 -2.645 1.00 1.18 H new ATOM 0 HD2 PHE B 78 -8.395 2.752 0.278 1.00 1.23 H new ATOM 0 HE1 PHE B 78 -7.586 7.330 -1.313 1.00 1.19 H new ATOM 0 HE2 PHE B 78 -9.153 4.663 1.611 1.00 1.24 H new ATOM 0 HZ PHE B 78 -8.746 6.956 0.822 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.531 2.625 -0.632 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.683 2.978 0.498 1.00 0.27 C ATOM 2894 C LEU B 79 -2.266 3.299 0.052 1.00 0.31 C ATOM 2895 O LEU B 79 -1.648 4.242 0.551 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.669 1.843 1.511 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.044 1.441 2.035 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -4.901 0.426 3.142 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -5.816 2.656 2.523 1.00 0.30 C ATOM 0 H LEU B 79 -4.949 1.697 -0.567 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.097 3.873 0.963 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.200 0.972 1.054 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.044 2.135 2.355 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.606 0.992 1.216 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -5.889 0.146 3.509 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.391 -0.459 2.761 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.320 0.856 3.957 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.793 2.343 2.891 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.263 3.140 3.328 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -5.947 3.358 1.700 1.00 0.30 H new ATOM 2911 N SER B 80 -1.752 2.524 -0.892 1.00 0.36 N ATOM 2912 CA SER B 80 -0.444 2.809 -1.446 1.00 0.47 C ATOM 2913 C SER B 80 -0.476 4.109 -2.216 1.00 0.37 C ATOM 2914 O SER B 80 0.399 4.938 -2.044 1.00 0.38 O ATOM 2915 CB SER B 80 0.036 1.681 -2.346 1.00 0.66 C ATOM 2916 OG SER B 80 -1.010 1.204 -3.173 1.00 0.84 O ATOM 0 H SER B 80 -2.216 1.704 -1.284 1.00 0.36 H new ATOM 0 HA SER B 80 0.258 2.899 -0.617 1.00 0.47 H new ATOM 0 HB2 SER B 80 0.861 2.033 -2.965 1.00 0.66 H new ATOM 0 HB3 SER B 80 0.421 0.864 -1.736 1.00 0.66 H new ATOM 0 HG SER B 80 -1.594 0.613 -2.653 1.00 0.84 H new ATOM 2922 N SER B 81 -1.501 4.289 -3.044 1.00 0.33 N ATOM 2923 CA SER B 81 -1.664 5.516 -3.808 1.00 0.30 C ATOM 2924 C SER B 81 -1.599 6.718 -2.874 1.00 0.24 C ATOM 2925 O SER B 81 -1.000 7.734 -3.207 1.00 0.26 O ATOM 2926 CB SER B 81 -2.993 5.499 -4.574 1.00 0.37 C ATOM 2927 OG SER B 81 -3.021 6.490 -5.589 1.00 1.22 O ATOM 0 H SER B 81 -2.233 3.596 -3.201 1.00 0.33 H new ATOM 0 HA SER B 81 -0.855 5.591 -4.534 1.00 0.30 H new ATOM 0 HB2 SER B 81 -3.145 4.516 -5.020 1.00 0.37 H new ATOM 0 HB3 SER B 81 -3.817 5.665 -3.879 1.00 0.37 H new ATOM 0 HG SER B 81 -3.880 6.452 -6.059 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.184 6.578 -1.687 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.109 7.617 -0.669 1.00 0.23 C ATOM 2935 C ILE B 82 -0.660 7.927 -0.319 1.00 0.27 C ATOM 2936 O ILE B 82 -0.194 9.051 -0.495 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.819 7.212 0.633 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.288 6.859 0.376 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.694 8.341 1.646 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.049 6.471 1.627 1.00 0.23 C ATOM 0 H ILE B 82 -2.715 5.753 -1.408 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.604 8.490 -1.095 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.341 6.319 1.035 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.782 7.712 -0.089 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.335 6.036 -0.337 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.196 8.057 2.571 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.640 8.532 1.849 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.156 9.243 1.244 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.081 6.235 1.367 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.581 5.598 2.082 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.034 7.300 2.334 1.00 0.23 H new ATOM 2952 N ALA B 83 0.045 6.914 0.175 1.00 0.30 N ATOM 2953 CA ALA B 83 1.426 7.071 0.615 1.00 0.36 C ATOM 2954 C ALA B 83 2.318 7.526 -0.542 1.00 0.37 C ATOM 2955 O ALA B 83 3.292 8.257 -0.347 1.00 0.42 O ATOM 2956 CB ALA B 83 1.927 5.767 1.224 1.00 0.40 C ATOM 0 H ALA B 83 -0.322 5.968 0.281 1.00 0.30 H new ATOM 0 HA ALA B 83 1.467 7.846 1.381 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.959 5.891 1.551 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.305 5.502 2.079 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.875 4.974 0.478 1.00 0.40 H new ATOM 2962 N MET B 84 1.963 7.096 -1.747 1.00 0.37 N ATOM 2963 CA MET B 84 2.645 7.522 -2.960 1.00 0.43 C ATOM 2964 C MET B 84 2.456 9.010 -3.166 1.00 0.34 C ATOM 2965 O MET B 84 3.409 9.773 -3.094 1.00 0.37 O ATOM 2966 CB MET B 84 2.098 6.785 -4.188 1.00 0.64 C ATOM 2967 CG MET B 84 2.351 5.290 -4.184 1.00 0.44 C ATOM 2968 SD MET B 84 1.479 4.424 -5.508 1.00 1.00 S ATOM 2969 CE MET B 84 2.002 5.346 -6.952 1.00 1.26 C ATOM 0 H MET B 84 1.196 6.444 -1.909 1.00 0.37 H new ATOM 0 HA MET B 84 3.703 7.289 -2.845 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.024 6.959 -4.253 1.00 0.64 H new ATOM 0 HB3 MET B 84 2.546 7.215 -5.084 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.421 5.108 -4.281 1.00 0.44 H new ATOM 0 HG3 MET B 84 2.043 4.877 -3.223 1.00 0.44 H new ATOM 0 HE1 MET B 84 1.134 5.804 -7.425 1.00 1.26 H new ATOM 0 HE2 MET B 84 2.705 6.123 -6.652 1.00 1.26 H new ATOM 0 HE3 MET B 84 2.486 4.672 -7.658 1.00 1.26 H new ATOM 2979 N MET B 85 1.207 9.405 -3.388 1.00 0.33 N ATOM 2980 CA MET B 85 0.860 10.793 -3.683 1.00 0.35 C ATOM 2981 C MET B 85 1.366 11.720 -2.592 1.00 0.35 C ATOM 2982 O MET B 85 1.954 12.764 -2.877 1.00 0.42 O ATOM 2983 CB MET B 85 -0.658 10.936 -3.822 1.00 0.39 C ATOM 2984 CG MET B 85 -1.249 10.067 -4.919 1.00 1.36 C ATOM 2985 SD MET B 85 -0.697 10.540 -6.570 1.00 2.66 S ATOM 2986 CE MET B 85 -1.378 12.193 -6.696 1.00 3.35 C ATOM 0 H MET B 85 0.406 8.774 -3.369 1.00 0.33 H new ATOM 0 HA MET B 85 1.337 11.072 -4.623 1.00 0.35 H new ATOM 0 HB2 MET B 85 -1.128 10.679 -2.873 1.00 0.39 H new ATOM 0 HB3 MET B 85 -0.900 11.979 -4.025 1.00 0.39 H new ATOM 0 HG2 MET B 85 -0.979 9.027 -4.736 1.00 1.36 H new ATOM 0 HG3 MET B 85 -2.337 10.126 -4.875 1.00 1.36 H new ATOM 0 HE1 MET B 85 -1.440 12.482 -7.745 1.00 3.35 H new ATOM 0 HE2 MET B 85 -2.375 12.210 -6.255 1.00 3.35 H new ATOM 0 HE3 MET B 85 -0.734 12.893 -6.164 1.00 3.35 H new ATOM 2996 N SER B 86 1.149 11.314 -1.347 1.00 0.33 N ATOM 2997 CA SER B 86 1.570 12.086 -0.193 1.00 0.39 C ATOM 2998 C SER B 86 3.053 12.442 -0.282 1.00 0.43 C ATOM 2999 O SER B 86 3.421 13.617 -0.242 1.00 0.57 O ATOM 3000 CB SER B 86 1.285 11.295 1.088 1.00 0.43 C ATOM 3001 OG SER B 86 1.552 12.063 2.248 1.00 1.25 O ATOM 0 H SER B 86 0.676 10.441 -1.113 1.00 0.33 H new ATOM 0 HA SER B 86 1.005 13.018 -0.173 1.00 0.39 H new ATOM 0 HB2 SER B 86 0.243 10.976 1.095 1.00 0.43 H new ATOM 0 HB3 SER B 86 1.895 10.392 1.101 1.00 0.43 H new ATOM 0 HG SER B 86 1.358 11.528 3.046 1.00 1.25 H new ATOM 3007 N ASN B 87 3.906 11.437 -0.448 1.00 0.40 N ATOM 3008 CA ASN B 87 5.339 11.674 -0.395 1.00 0.51 C ATOM 3009 C ASN B 87 5.895 12.159 -1.731 1.00 0.44 C ATOM 3010 O ASN B 87 6.839 12.943 -1.766 1.00 0.53 O ATOM 3011 CB ASN B 87 6.092 10.433 0.019 1.00 0.69 C ATOM 3012 CG ASN B 87 7.479 10.788 0.514 1.00 1.43 C ATOM 3013 OD1 ASN B 87 7.716 10.884 1.717 1.00 2.36 O ATOM 3014 ND2 ASN B 87 8.388 11.042 -0.412 1.00 1.49 N ATOM 0 H ASN B 87 3.635 10.468 -0.617 1.00 0.40 H new ATOM 0 HA ASN B 87 5.483 12.455 0.351 1.00 0.51 H new ATOM 0 HB2 ASN B 87 5.542 9.913 0.804 1.00 0.69 H new ATOM 0 HB3 ASN B 87 6.166 9.748 -0.826 1.00 0.69 H new ATOM 0 HD21 ASN B 87 9.328 11.330 -0.139 1.00 1.49 H new ATOM 0 HD22 ASN B 87 8.150 10.950 -1.399 1.00 1.49 H new ATOM 3021 N GLU B 88 5.337 11.673 -2.828 1.00 0.37 N ATOM 3022 CA GLU B 88 5.741 12.126 -4.152 1.00 0.42 C ATOM 3023 C GLU B 88 5.641 13.636 -4.238 1.00 0.51 C ATOM 3024 O GLU B 88 6.499 14.313 -4.800 1.00 0.66 O ATOM 3025 CB GLU B 88 4.867 11.489 -5.208 1.00 0.48 C ATOM 3026 CG GLU B 88 5.305 10.088 -5.553 1.00 0.51 C ATOM 3027 CD GLU B 88 6.310 10.067 -6.677 1.00 0.91 C ATOM 3028 OE1 GLU B 88 7.510 10.294 -6.408 1.00 1.49 O ATOM 3029 OE2 GLU B 88 5.910 9.814 -7.827 1.00 1.74 O ATOM 0 H GLU B 88 4.603 10.965 -2.829 1.00 0.37 H new ATOM 0 HA GLU B 88 6.776 11.830 -4.325 1.00 0.42 H new ATOM 0 HB2 GLU B 88 3.835 11.467 -4.856 1.00 0.48 H new ATOM 0 HB3 GLU B 88 4.884 12.103 -6.108 1.00 0.48 H new ATOM 0 HG2 GLU B 88 5.739 9.617 -4.671 1.00 0.51 H new ATOM 0 HG3 GLU B 88 4.434 9.496 -5.835 1.00 0.51 H new ATOM 3036 N PHE B 89 4.583 14.144 -3.642 1.00 0.50 N ATOM 3037 CA PHE B 89 4.331 15.565 -3.575 1.00 0.63 C ATOM 3038 C PHE B 89 5.010 16.176 -2.349 1.00 0.66 C ATOM 3039 O PHE B 89 5.166 17.392 -2.250 1.00 0.79 O ATOM 3040 CB PHE B 89 2.820 15.775 -3.515 1.00 0.73 C ATOM 3041 CG PHE B 89 2.383 17.212 -3.525 1.00 1.18 C ATOM 3042 CD1 PHE B 89 2.531 17.987 -4.663 1.00 2.16 C ATOM 3043 CD2 PHE B 89 1.818 17.785 -2.397 1.00 1.70 C ATOM 3044 CE1 PHE B 89 2.123 19.307 -4.678 1.00 2.79 C ATOM 3045 CE2 PHE B 89 1.409 19.104 -2.405 1.00 2.37 C ATOM 3046 CZ PHE B 89 1.562 19.865 -3.546 1.00 2.70 C ATOM 0 H PHE B 89 3.868 13.576 -3.187 1.00 0.50 H new ATOM 0 HA PHE B 89 4.742 16.059 -4.455 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.362 15.265 -4.363 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.437 15.300 -2.612 1.00 0.73 H new ATOM 0 HD1 PHE B 89 2.971 17.554 -5.550 1.00 2.16 H new ATOM 0 HD2 PHE B 89 1.696 17.194 -1.502 1.00 1.70 H new ATOM 0 HE1 PHE B 89 2.242 19.901 -5.572 1.00 2.79 H new ATOM 0 HE2 PHE B 89 0.970 19.539 -1.519 1.00 2.37 H new ATOM 0 HZ PHE B 89 1.243 20.897 -3.554 1.00 2.70 H new ATOM 3056 N PHE B 90 5.422 15.322 -1.423 1.00 0.60 N ATOM 3057 CA PHE B 90 6.123 15.762 -0.227 1.00 0.68 C ATOM 3058 C PHE B 90 7.511 16.261 -0.602 1.00 0.68 C ATOM 3059 O PHE B 90 8.072 17.146 0.050 1.00 0.79 O ATOM 3060 CB PHE B 90 6.214 14.605 0.762 1.00 0.70 C ATOM 3061 CG PHE B 90 6.798 14.961 2.098 1.00 0.85 C ATOM 3062 CD1 PHE B 90 6.144 15.845 2.940 1.00 1.53 C ATOM 3063 CD2 PHE B 90 7.990 14.399 2.517 1.00 1.46 C ATOM 3064 CE1 PHE B 90 6.672 16.163 4.174 1.00 1.64 C ATOM 3065 CE2 PHE B 90 8.522 14.715 3.750 1.00 1.59 C ATOM 3066 CZ PHE B 90 7.863 15.597 4.580 1.00 1.21 C ATOM 0 H PHE B 90 5.281 14.313 -1.479 1.00 0.60 H new ATOM 0 HA PHE B 90 5.577 16.580 0.242 1.00 0.68 H new ATOM 0 HB2 PHE B 90 5.215 14.198 0.915 1.00 0.70 H new ATOM 0 HB3 PHE B 90 6.816 13.813 0.318 1.00 0.70 H new ATOM 0 HD1 PHE B 90 5.211 16.290 2.627 1.00 1.53 H new ATOM 0 HD2 PHE B 90 8.510 13.706 1.872 1.00 1.46 H new ATOM 0 HE1 PHE B 90 6.154 16.854 4.822 1.00 1.64 H new ATOM 0 HE2 PHE B 90 9.455 14.271 4.065 1.00 1.59 H new ATOM 0 HZ PHE B 90 8.278 15.844 5.546 1.00 1.21 H new ATOM 3076 N GLU B 91 8.051 15.694 -1.673 1.00 0.61 N ATOM 3077 CA GLU B 91 9.310 16.160 -2.228 1.00 0.72 C ATOM 3078 C GLU B 91 9.074 17.412 -3.047 1.00 0.77 C ATOM 3079 O GLU B 91 10.011 18.069 -3.498 1.00 0.95 O ATOM 3080 CB GLU B 91 9.942 15.098 -3.123 1.00 0.82 C ATOM 3081 CG GLU B 91 10.023 13.731 -2.485 1.00 0.92 C ATOM 3082 CD GLU B 91 10.788 13.736 -1.178 1.00 1.57 C ATOM 3083 OE1 GLU B 91 11.787 14.478 -1.078 1.00 2.22 O ATOM 3084 OE2 GLU B 91 10.389 13.005 -0.246 1.00 2.25 O ATOM 0 H GLU B 91 7.634 14.909 -2.174 1.00 0.61 H new ATOM 0 HA GLU B 91 9.986 16.371 -1.400 1.00 0.72 H new ATOM 0 HB2 GLU B 91 9.366 15.024 -4.046 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.946 15.420 -3.399 1.00 0.82 H new ATOM 0 HG2 GLU B 91 9.014 13.357 -2.309 1.00 0.92 H new ATOM 0 HG3 GLU B 91 10.502 13.040 -3.178 1.00 0.92 H new ATOM 3091 N GLY B 92 7.804 17.713 -3.253 1.00 0.71 N ATOM 3092 CA GLY B 92 7.417 18.805 -4.113 1.00 0.82 C ATOM 3093 C GLY B 92 7.234 18.318 -5.528 1.00 0.81 C ATOM 3094 O GLY B 92 6.286 18.690 -6.220 1.00 0.91 O ATOM 0 H GLY B 92 7.023 17.210 -2.831 1.00 0.71 H new ATOM 0 HA2 GLY B 92 6.490 19.250 -3.752 1.00 0.82 H new ATOM 0 HA3 GLY B 92 8.177 19.586 -4.085 1.00 0.82 H new ATOM 3098 N PHE B 93 8.148 17.455 -5.935 1.00 0.76 N ATOM 3099 CA PHE B 93 8.120 16.814 -7.230 1.00 0.78 C ATOM 3100 C PHE B 93 8.648 15.399 -7.065 1.00 0.69 C ATOM 3101 O PHE B 93 9.467 15.147 -6.180 1.00 0.82 O ATOM 3102 CB PHE B 93 8.990 17.574 -8.241 1.00 1.00 C ATOM 3103 CG PHE B 93 8.484 18.948 -8.578 1.00 1.67 C ATOM 3104 CD1 PHE B 93 7.486 19.119 -9.523 1.00 2.58 C ATOM 3105 CD2 PHE B 93 9.009 20.068 -7.954 1.00 2.41 C ATOM 3106 CE1 PHE B 93 7.020 20.380 -9.838 1.00 3.59 C ATOM 3107 CE2 PHE B 93 8.547 21.330 -8.265 1.00 3.46 C ATOM 3108 CZ PHE B 93 7.551 21.487 -9.208 1.00 3.90 C ATOM 0 H PHE B 93 8.944 17.177 -5.361 1.00 0.76 H new ATOM 0 HA PHE B 93 7.098 16.806 -7.609 1.00 0.78 H new ATOM 0 HB2 PHE B 93 10.001 17.659 -7.842 1.00 1.00 H new ATOM 0 HB3 PHE B 93 9.057 16.989 -9.158 1.00 1.00 H new ATOM 0 HD1 PHE B 93 7.067 18.256 -10.019 1.00 2.58 H new ATOM 0 HD2 PHE B 93 9.789 19.952 -7.216 1.00 2.41 H new ATOM 0 HE1 PHE B 93 6.241 20.500 -10.576 1.00 3.59 H new ATOM 0 HE2 PHE B 93 8.964 22.195 -7.771 1.00 3.46 H new ATOM 0 HZ PHE B 93 7.188 22.474 -9.452 1.00 3.90 H new ATOM 3118 N PRO B 94 8.165 14.454 -7.877 1.00 0.64 N ATOM 3119 CA PRO B 94 8.674 13.079 -7.893 1.00 0.61 C ATOM 3120 C PRO B 94 10.100 13.023 -8.433 1.00 0.71 C ATOM 3121 O PRO B 94 10.371 12.489 -9.507 1.00 0.90 O ATOM 3122 CB PRO B 94 7.714 12.355 -8.825 1.00 0.65 C ATOM 3123 CG PRO B 94 7.183 13.425 -9.708 1.00 0.84 C ATOM 3124 CD PRO B 94 7.070 14.642 -8.835 1.00 0.83 C ATOM 0 HA PRO B 94 8.719 12.636 -6.898 1.00 0.61 H new ATOM 0 HB2 PRO B 94 8.224 11.582 -9.399 1.00 0.65 H new ATOM 0 HB3 PRO B 94 6.915 11.864 -8.270 1.00 0.65 H new ATOM 0 HG2 PRO B 94 7.850 13.606 -10.551 1.00 0.84 H new ATOM 0 HG3 PRO B 94 6.214 13.147 -10.123 1.00 0.84 H new ATOM 0 HD2 PRO B 94 7.186 15.563 -9.407 1.00 0.83 H new ATOM 0 HD3 PRO B 94 6.101 14.695 -8.338 1.00 0.83 H new ATOM 3132 N ASP B 95 11.001 13.566 -7.644 1.00 0.71 N ATOM 3133 CA ASP B 95 12.385 13.788 -8.043 1.00 0.87 C ATOM 3134 C ASP B 95 13.224 12.549 -7.771 1.00 0.84 C ATOM 3135 O ASP B 95 14.416 12.496 -8.068 1.00 0.96 O ATOM 3136 CB ASP B 95 12.941 15.002 -7.286 1.00 1.12 C ATOM 3137 CG ASP B 95 14.343 15.392 -7.710 1.00 1.70 C ATOM 3138 OD1 ASP B 95 14.488 16.056 -8.758 1.00 2.16 O ATOM 3139 OD2 ASP B 95 15.303 15.063 -6.984 1.00 2.40 O ATOM 0 H ASP B 95 10.796 13.872 -6.693 1.00 0.71 H new ATOM 0 HA ASP B 95 12.425 13.987 -9.114 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.275 15.851 -7.439 1.00 1.12 H new ATOM 0 HB3 ASP B 95 12.941 14.785 -6.218 1.00 1.12 H new ATOM 3144 N LYS B 96 12.574 11.535 -7.233 1.00 0.81 N ATOM 3145 CA LYS B 96 13.247 10.298 -6.899 1.00 0.86 C ATOM 3146 C LYS B 96 13.093 9.284 -8.023 1.00 0.83 C ATOM 3147 O LYS B 96 13.751 8.245 -8.022 1.00 0.94 O ATOM 3148 CB LYS B 96 12.718 9.737 -5.572 1.00 0.97 C ATOM 3149 CG LYS B 96 11.262 10.080 -5.286 1.00 0.93 C ATOM 3150 CD LYS B 96 10.849 9.620 -3.892 1.00 0.65 C ATOM 3151 CE LYS B 96 9.480 10.149 -3.504 1.00 0.84 C ATOM 3152 NZ LYS B 96 8.403 9.425 -4.216 1.00 1.85 N ATOM 0 H LYS B 96 11.577 11.545 -7.018 1.00 0.81 H new ATOM 0 HA LYS B 96 14.310 10.505 -6.777 1.00 0.86 H new ATOM 0 HB2 LYS B 96 12.830 8.653 -5.578 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.336 10.116 -4.758 1.00 0.97 H new ATOM 0 HG2 LYS B 96 11.115 11.156 -5.375 1.00 0.93 H new ATOM 0 HG3 LYS B 96 10.622 9.609 -6.032 1.00 0.93 H new ATOM 0 HD2 LYS B 96 10.841 8.531 -3.857 1.00 0.65 H new ATOM 0 HD3 LYS B 96 11.588 9.957 -3.165 1.00 0.65 H new ATOM 0 HE2 LYS B 96 9.340 10.047 -2.428 1.00 0.84 H new ATOM 0 HE3 LYS B 96 9.420 11.213 -3.734 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 7.558 9.379 -3.612 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 8.172 9.926 -5.098 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 8.722 8.461 -4.439 1.00 1.85 H new