USER MOD reduce.3.24.130724 H: found=0, std=0, add=1484, rem=0, adj=64 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: B 87 ASN : amide:sc= -6.78! C(o=-5.3!,f=-9.9!) USER MOD Set 1.2: B 96 LYS NZ :NH3+ 137:sc= 1.48 (180deg=-0.0863) USER MOD Set 2.1: A 80 SER OG : rot 36:sc= 0.503 USER MOD Set 2.2: B 80 SER OG : rot 40:sc= 0.567 USER MOD Set 3.1: B 31 LYS NZ :NH3+ 153:sc= 1.05 (180deg=0) USER MOD Set 3.2: B 56 GLN : amide:sc= -0.702 K(o=-2,f=-3.4) USER MOD Set 3.3: B 59 MET CE :methyl 150:sc= -2.27 (180deg=-1.87) USER MOD Set 3.4: B 68 ASN :FLIP amide:sc= -0.0942 F(o=-3.8!,f=-2) USER MOD Set 4.1: B 14 SER OG : rot 180:sc= 0 USER MOD Set 4.2: B 17 HIS : no HD1:sc= -4.32! C(o=-4.3!,f=-5!) USER MOD Set 5.1: A 44 SER OG : rot 172:sc= 0 USER MOD Set 5.2: B 7 LYS NZ :NH3+ 164:sc= -0.311 (180deg=-1.05) USER MOD Set 6.1: A 87 ASN : amide:sc= -6.71! C(o=-5!,f=-10!) USER MOD Set 6.2: A 96 LYS NZ :NH3+ 142:sc= 1.66 (180deg=-0.0103) USER MOD Set 7.1: A 31 LYS NZ :NH3+ 154:sc= 1.06 (180deg=0) USER MOD Set 7.2: A 56 GLN : amide:sc= -0.769 K(o=-2.1,f=-3.4) USER MOD Set 7.3: A 59 MET CE :methyl 152:sc= -2.32 (180deg=-1.92) USER MOD Set 7.4: A 68 ASN :FLIP amide:sc= -0.0964 F(o=-4.1!,f=-2.1) USER MOD Set 8.1: A 14 SER OG : rot 180:sc= 0 USER MOD Set 8.2: A 17 HIS : no HD1:sc= -4.21! C(o=-4.2!,f=-5.2!) USER MOD Set 9.1: A 7 LYS NZ :NH3+ 165:sc= -0.388 (180deg=-1.11) USER MOD Set 9.2: B 44 SER OG : rot 171:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.803 USER MOD Single : A 12 MET CE :methyl 157:sc= 0 (180deg=-0.297) USER MOD Single : A 15 THR OG1 : rot 64:sc= 0.657 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 TYR OH : rot 78:sc= -0.155 USER MOD Single : A 20 SER OG : rot 80:sc= -0.513 USER MOD Single : A 22 LYS NZ :NH3+ 146:sc= -2.48! (180deg=-5.27!) USER MOD Single : A 26 LYS NZ :NH3+ 170:sc= 0.291 (180deg=0.253) USER MOD Single : A 28 LYS NZ :NH3+ -134:sc= 0.524 (180deg=-0.0664) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.08 F(o=-3.5!,f=-1.1) USER MOD Single : A 32 SER OG : rot -70:sc= 0.712 USER MOD Single : A 35 LYS NZ :NH3+ 153:sc= 0.0803 (180deg=0) USER MOD Single : A 39 THR OG1 : rot -68:sc= 0.499 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0.0055 USER MOD Single : A 57 LYS NZ :NH3+ 125:sc= -0.119 (180deg=-0.467) USER MOD Single : A 60 SER OG : rot 18:sc= 1.17 USER MOD Single : A 61 ASN :FLIP amide:sc= -2.09 F(o=-3.1!,f=-2.1) USER MOD Single : A 64 SER OG : rot 37:sc= 0.53 USER MOD Single : A 65 ASN : amide:sc= -1.47! C(o=-1.5!,f=-6.1!) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.203 F(o=-2.9!,f=-0.2) USER MOD Single : A 75 TYR OH : rot -178:sc= -3.38! USER MOD Single : A 76 SER OG : rot -170:sc=-0.00507 USER MOD Single : A 81 SER OG : rot -17:sc= 1.26 USER MOD Single : A 84 MET CE :methyl 176:sc= -1.63 (180deg=-1.79!) USER MOD Single : A 85 MET CE :methyl -170:sc= -0.0134 (180deg=-0.032) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 32:sc= 0.764 USER MOD Single : B 12 MET CE :methyl 157:sc= 0 (180deg=-0.286) USER MOD Single : B 15 THR OG1 : rot 65:sc= 0.69 USER MOD Single : B 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 19 TYR OH : rot 78:sc= -0.177 USER MOD Single : B 20 SER OG : rot 78:sc= -0.512 USER MOD Single : B 22 LYS NZ :NH3+ 150:sc= -2.53! (180deg=-5.13!) USER MOD Single : B 26 LYS NZ :NH3+ 169:sc= 0.273 (180deg=0.229) USER MOD Single : B 28 LYS NZ :NH3+ -136:sc= 0.533 (180deg=-0.0618) USER MOD Single : B 30 ASN :FLIP amide:sc= -1.22 F(o=-3.7!,f=-1.2) USER MOD Single : B 32 SER OG : rot -69:sc= 0.716 USER MOD Single : B 35 LYS NZ :NH3+ 154:sc= 0.0873 (180deg=0.000476) USER MOD Single : B 39 THR OG1 : rot -67:sc= 0.516 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0.00382 USER MOD Single : B 57 LYS NZ :NH3+ 158:sc= -0.0884 (180deg=-0.478) USER MOD Single : B 60 SER OG : rot 26:sc= 1.22 USER MOD Single : B 61 ASN :FLIP amide:sc= -2.23 F(o=-3.1!,f=-2.2) USER MOD Single : B 64 SER OG : rot 39:sc= 0.498 USER MOD Single : B 65 ASN : amide:sc= -1.47! C(o=-1.5!,f=-6!) USER MOD Single : B 73 GLN :FLIP amide:sc= -0.191 F(o=-2.9!,f=-0.19) USER MOD Single : B 75 TYR OH : rot -177:sc= -3.42! USER MOD Single : B 76 SER OG : rot -170:sc=-0.000223 USER MOD Single : B 81 SER OG : rot -17:sc= 1.16 USER MOD Single : B 84 MET CE :methyl 172:sc= -1.52 (180deg=-1.88!) USER MOD Single : B 85 MET CE :methyl -164:sc= -0.0121 (180deg=-0.0272) USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.266 2.741 13.944 1.00 0.79 N ATOM 31 CA SER A 3 -7.586 3.655 14.849 1.00 0.78 C ATOM 32 C SER A 3 -6.187 4.027 14.280 1.00 0.65 C ATOM 33 O SER A 3 -5.978 3.868 13.086 1.00 0.83 O ATOM 34 CB SER A 3 -7.501 2.941 16.199 1.00 0.97 C ATOM 35 OG SER A 3 -8.622 2.090 16.383 1.00 1.18 O ATOM 0 HA SER A 3 -8.123 4.597 14.965 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.582 2.358 16.251 1.00 0.97 H new ATOM 0 HB3 SER A 3 -7.459 3.675 17.003 1.00 0.97 H new ATOM 0 HG SER A 3 -8.990 1.841 15.510 1.00 1.18 H new ATOM 41 N PRO A 4 -5.241 4.603 15.063 1.00 0.67 N ATOM 42 CA PRO A 4 -3.864 4.904 14.608 1.00 0.62 C ATOM 43 C PRO A 4 -3.236 3.967 13.543 1.00 0.46 C ATOM 44 O PRO A 4 -2.215 4.324 12.967 1.00 0.50 O ATOM 45 CB PRO A 4 -3.088 4.823 15.910 1.00 0.79 C ATOM 46 CG PRO A 4 -4.011 5.435 16.902 1.00 0.96 C ATOM 47 CD PRO A 4 -5.410 5.068 16.463 1.00 0.87 C ATOM 0 HA PRO A 4 -3.849 5.857 14.078 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -2.846 3.792 16.170 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -2.145 5.367 15.850 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -3.807 5.060 17.905 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -3.885 6.517 16.934 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -5.834 4.287 17.094 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -6.083 5.924 16.520 1.00 0.87 H new ATOM 55 N LEU A 5 -3.814 2.789 13.278 1.00 0.36 N ATOM 56 CA LEU A 5 -3.230 1.841 12.334 1.00 0.32 C ATOM 57 C LEU A 5 -3.181 2.425 10.934 1.00 0.30 C ATOM 58 O LEU A 5 -2.229 2.187 10.194 1.00 0.32 O ATOM 59 CB LEU A 5 -4.022 0.535 12.314 1.00 0.31 C ATOM 60 CG LEU A 5 -3.621 -0.474 11.228 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.537 -1.863 11.829 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.618 -0.470 10.073 1.00 0.27 C ATOM 0 H LEU A 5 -4.685 2.474 13.706 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.212 1.635 12.666 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.918 0.054 13.287 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -5.078 0.774 12.189 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.647 -0.183 10.835 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -3.252 -2.577 11.056 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.791 -1.871 12.623 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.508 -2.141 12.240 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.306 -1.195 9.321 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.607 -0.736 10.445 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.654 0.524 9.627 1.00 0.27 H new ATOM 74 N GLU A 6 -4.193 3.194 10.567 1.00 0.34 N ATOM 75 CA GLU A 6 -4.222 3.771 9.237 1.00 0.42 C ATOM 76 C GLU A 6 -3.104 4.797 9.078 1.00 0.33 C ATOM 77 O GLU A 6 -2.372 4.817 8.081 1.00 0.31 O ATOM 78 CB GLU A 6 -5.579 4.386 8.901 1.00 0.62 C ATOM 79 CG GLU A 6 -6.389 4.880 10.088 1.00 1.80 C ATOM 80 CD GLU A 6 -5.921 6.203 10.631 1.00 2.84 C ATOM 81 OE1 GLU A 6 -6.208 7.246 10.007 1.00 3.32 O ATOM 82 OE2 GLU A 6 -5.280 6.211 11.704 1.00 3.61 O ATOM 0 H GLU A 6 -4.990 3.429 11.159 1.00 0.34 H new ATOM 0 HA GLU A 6 -4.059 2.960 8.527 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -5.420 5.222 8.220 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -6.171 3.645 8.364 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -7.434 4.968 9.792 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -6.344 4.135 10.882 1.00 1.80 H new ATOM 89 N LYS A 7 -2.953 5.635 10.084 1.00 0.35 N ATOM 90 CA LYS A 7 -1.873 6.597 10.102 1.00 0.36 C ATOM 91 C LYS A 7 -0.552 5.886 10.371 1.00 0.32 C ATOM 92 O LYS A 7 0.513 6.448 10.164 1.00 0.35 O ATOM 93 CB LYS A 7 -2.135 7.728 11.102 1.00 0.44 C ATOM 94 CG LYS A 7 -3.519 8.366 10.958 1.00 0.63 C ATOM 95 CD LYS A 7 -3.688 9.312 9.757 1.00 0.79 C ATOM 96 CE LYS A 7 -3.105 8.784 8.454 1.00 1.78 C ATOM 97 NZ LYS A 7 -3.304 9.737 7.329 1.00 2.82 N ATOM 0 H LYS A 7 -3.565 5.668 10.899 1.00 0.35 H new ATOM 0 HA LYS A 7 -1.812 7.069 9.122 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -2.027 7.339 12.114 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -1.374 8.498 10.974 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.260 7.571 10.880 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -3.741 8.921 11.870 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -4.750 9.509 9.612 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -3.216 10.266 9.992 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -2.040 8.594 8.584 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -3.571 7.830 8.208 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -2.686 9.471 6.536 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -4.297 9.707 7.020 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -3.068 10.700 7.644 1.00 2.82 H new ATOM 111 N ALA A 8 -0.632 4.663 10.880 1.00 0.29 N ATOM 112 CA ALA A 8 0.545 3.823 11.034 1.00 0.29 C ATOM 113 C ALA A 8 1.075 3.379 9.676 1.00 0.27 C ATOM 114 O ALA A 8 2.276 3.202 9.516 1.00 0.28 O ATOM 115 CB ALA A 8 0.257 2.616 11.902 1.00 0.32 C ATOM 0 H ALA A 8 -1.502 4.232 11.193 1.00 0.29 H new ATOM 0 HA ALA A 8 1.309 4.421 11.531 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.159 2.011 11.995 1.00 0.32 H new ATOM 0 HB2 ALA A 8 -0.062 2.946 12.891 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.534 2.020 11.446 1.00 0.32 H new ATOM 121 N LEU A 9 0.192 3.188 8.694 1.00 0.26 N ATOM 122 CA LEU A 9 0.666 2.986 7.322 1.00 0.26 C ATOM 123 C LEU A 9 1.365 4.262 6.878 1.00 0.26 C ATOM 124 O LEU A 9 2.351 4.246 6.154 1.00 0.26 O ATOM 125 CB LEU A 9 -0.467 2.674 6.332 1.00 0.26 C ATOM 126 CG LEU A 9 -1.735 2.076 6.926 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.835 2.031 5.878 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.471 0.688 7.489 1.00 0.27 C ATOM 0 H LEU A 9 -0.821 3.169 8.814 1.00 0.26 H new ATOM 0 HA LEU A 9 1.335 2.125 7.322 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.733 3.596 5.815 1.00 0.26 H new ATOM 0 HB3 LEU A 9 -0.084 1.985 5.579 1.00 0.26 H new ATOM 0 HG LEU A 9 -2.063 2.713 7.748 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.736 1.601 6.315 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -3.047 3.042 5.529 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.512 1.418 5.037 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.393 0.284 7.907 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -1.116 0.034 6.693 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.715 0.751 8.271 1.00 0.27 H new ATOM 140 N ASP A 10 0.842 5.382 7.337 1.00 0.27 N ATOM 141 CA ASP A 10 1.510 6.667 7.127 1.00 0.29 C ATOM 142 C ASP A 10 2.868 6.678 7.852 1.00 0.27 C ATOM 143 O ASP A 10 3.831 7.319 7.417 1.00 0.28 O ATOM 144 CB ASP A 10 0.620 7.817 7.609 1.00 0.33 C ATOM 145 CG ASP A 10 1.262 9.177 7.443 1.00 0.38 C ATOM 146 OD1 ASP A 10 1.129 9.775 6.360 1.00 1.16 O ATOM 147 OD2 ASP A 10 1.894 9.661 8.406 1.00 1.18 O ATOM 0 H ASP A 10 -0.035 5.437 7.854 1.00 0.27 H new ATOM 0 HA ASP A 10 1.688 6.805 6.061 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.320 7.796 7.057 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.376 7.663 8.660 1.00 0.33 H new ATOM 152 N VAL A 11 2.952 5.928 8.948 1.00 0.27 N ATOM 153 CA VAL A 11 4.194 5.794 9.685 1.00 0.27 C ATOM 154 C VAL A 11 5.137 4.820 8.972 1.00 0.27 C ATOM 155 O VAL A 11 6.348 4.882 9.147 1.00 0.29 O ATOM 156 CB VAL A 11 3.935 5.335 11.137 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.237 5.081 11.873 1.00 0.31 C ATOM 158 CG2 VAL A 11 3.106 6.369 11.880 1.00 0.31 C ATOM 0 H VAL A 11 2.170 5.405 9.342 1.00 0.27 H new ATOM 0 HA VAL A 11 4.670 6.774 9.724 1.00 0.27 H new ATOM 0 HB VAL A 11 3.380 4.398 11.097 1.00 0.28 H new ATOM 0 HG11 VAL A 11 5.022 4.759 12.892 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.800 4.303 11.358 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.825 5.998 11.898 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.932 6.030 12.901 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.640 7.319 11.898 1.00 0.31 H new ATOM 0 HG23 VAL A 11 2.150 6.501 11.374 1.00 0.31 H new ATOM 168 N MET A 12 4.581 3.927 8.154 1.00 0.26 N ATOM 169 CA MET A 12 5.399 3.066 7.298 1.00 0.29 C ATOM 170 C MET A 12 6.105 3.936 6.263 1.00 0.29 C ATOM 171 O MET A 12 7.210 3.634 5.815 1.00 0.34 O ATOM 172 CB MET A 12 4.545 1.978 6.615 1.00 0.32 C ATOM 173 CG MET A 12 4.101 2.313 5.195 1.00 0.98 C ATOM 174 SD MET A 12 2.788 1.228 4.599 1.00 2.23 S ATOM 175 CE MET A 12 2.394 1.996 3.030 1.00 2.75 C ATOM 0 H MET A 12 3.575 3.781 8.065 1.00 0.26 H new ATOM 0 HA MET A 12 6.139 2.550 7.909 1.00 0.29 H new ATOM 0 HB2 MET A 12 5.115 1.049 6.593 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.660 1.795 7.224 1.00 0.32 H new ATOM 0 HG2 MET A 12 3.756 3.346 5.161 1.00 0.98 H new ATOM 0 HG3 MET A 12 4.958 2.241 4.525 1.00 0.98 H new ATOM 0 HE1 MET A 12 1.927 1.262 2.373 1.00 2.75 H new ATOM 0 HE2 MET A 12 1.707 2.826 3.194 1.00 2.75 H new ATOM 0 HE3 MET A 12 3.308 2.368 2.567 1.00 2.75 H new ATOM 185 N VAL A 13 5.448 5.033 5.903 1.00 0.29 N ATOM 186 CA VAL A 13 6.059 6.059 5.069 1.00 0.31 C ATOM 187 C VAL A 13 7.269 6.656 5.780 1.00 0.27 C ATOM 188 O VAL A 13 8.334 6.832 5.194 1.00 0.27 O ATOM 189 CB VAL A 13 5.048 7.181 4.728 1.00 0.37 C ATOM 190 CG1 VAL A 13 5.713 8.313 3.955 1.00 0.41 C ATOM 191 CG2 VAL A 13 3.871 6.621 3.946 1.00 0.42 C ATOM 0 H VAL A 13 4.487 5.234 6.178 1.00 0.29 H new ATOM 0 HA VAL A 13 6.377 5.590 4.137 1.00 0.31 H new ATOM 0 HB VAL A 13 4.679 7.591 5.668 1.00 0.37 H new ATOM 0 HG11 VAL A 13 4.975 9.084 3.732 1.00 0.41 H new ATOM 0 HG12 VAL A 13 6.515 8.742 4.556 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.125 7.925 3.024 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.172 7.425 3.716 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.230 6.175 3.018 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.367 5.861 4.542 1.00 0.42 H new ATOM 201 N SER A 14 7.118 6.952 7.055 1.00 0.26 N ATOM 202 CA SER A 14 8.237 7.477 7.819 1.00 0.26 C ATOM 203 C SER A 14 9.301 6.414 8.022 1.00 0.25 C ATOM 204 O SER A 14 10.501 6.708 8.010 1.00 0.26 O ATOM 205 CB SER A 14 7.756 8.043 9.160 1.00 0.31 C ATOM 206 OG SER A 14 8.827 8.582 9.913 1.00 1.18 O ATOM 0 H SER A 14 6.250 6.842 7.578 1.00 0.26 H new ATOM 0 HA SER A 14 8.687 8.291 7.251 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.010 8.817 8.982 1.00 0.31 H new ATOM 0 HB3 SER A 14 7.267 7.255 9.734 1.00 0.31 H new ATOM 0 HG SER A 14 8.485 8.935 10.761 1.00 1.18 H new ATOM 212 N THR A 15 8.849 5.188 8.179 1.00 0.28 N ATOM 213 CA THR A 15 9.716 4.034 8.236 1.00 0.32 C ATOM 214 C THR A 15 10.723 4.060 7.096 1.00 0.28 C ATOM 215 O THR A 15 11.927 3.859 7.293 1.00 0.29 O ATOM 216 CB THR A 15 8.863 2.752 8.166 1.00 0.45 C ATOM 217 OG1 THR A 15 8.085 2.621 9.365 1.00 0.59 O ATOM 218 CG2 THR A 15 9.717 1.518 7.960 1.00 0.93 C ATOM 0 H THR A 15 7.858 4.964 8.271 1.00 0.28 H new ATOM 0 HA THR A 15 10.269 4.052 9.175 1.00 0.32 H new ATOM 0 HB THR A 15 8.199 2.838 7.306 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.446 3.362 9.423 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.078 0.636 7.916 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.271 1.611 7.026 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.417 1.418 8.789 1.00 0.93 H new ATOM 226 N PHE A 16 10.235 4.366 5.913 1.00 0.27 N ATOM 227 CA PHE A 16 11.055 4.243 4.738 1.00 0.27 C ATOM 228 C PHE A 16 11.977 5.427 4.479 1.00 0.29 C ATOM 229 O PHE A 16 13.088 5.223 4.012 1.00 0.37 O ATOM 230 CB PHE A 16 10.212 3.814 3.536 1.00 0.34 C ATOM 231 CG PHE A 16 9.213 4.778 2.942 1.00 0.83 C ATOM 232 CD1 PHE A 16 9.502 6.112 2.730 1.00 1.65 C ATOM 233 CD2 PHE A 16 7.970 4.301 2.546 1.00 1.73 C ATOM 234 CE1 PHE A 16 8.576 6.953 2.141 1.00 2.27 C ATOM 235 CE2 PHE A 16 7.041 5.135 1.962 1.00 2.34 C ATOM 236 CZ PHE A 16 7.344 6.463 1.757 1.00 2.36 C ATOM 0 H PHE A 16 9.285 4.698 5.745 1.00 0.27 H new ATOM 0 HA PHE A 16 11.766 3.440 4.930 1.00 0.27 H new ATOM 0 HB2 PHE A 16 10.900 3.527 2.741 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.666 2.916 3.825 1.00 0.34 H new ATOM 0 HD1 PHE A 16 10.464 6.503 3.028 1.00 1.65 H new ATOM 0 HD2 PHE A 16 7.728 3.260 2.698 1.00 1.73 H new ATOM 0 HE1 PHE A 16 8.817 7.994 1.981 1.00 2.27 H new ATOM 0 HE2 PHE A 16 6.077 4.748 1.666 1.00 2.34 H new ATOM 0 HZ PHE A 16 6.620 7.119 1.297 1.00 2.36 H new ATOM 246 N HIS A 17 11.590 6.646 4.829 1.00 0.30 N ATOM 247 CA HIS A 17 12.519 7.763 4.651 1.00 0.40 C ATOM 248 C HIS A 17 13.623 7.696 5.697 1.00 0.36 C ATOM 249 O HIS A 17 14.673 8.330 5.565 1.00 0.42 O ATOM 250 CB HIS A 17 11.809 9.128 4.656 1.00 0.59 C ATOM 251 CG HIS A 17 11.180 9.546 5.956 1.00 0.81 C ATOM 252 ND1 HIS A 17 11.883 9.715 7.129 1.00 1.53 N ATOM 253 CD2 HIS A 17 9.900 9.875 6.244 1.00 1.78 C ATOM 254 CE1 HIS A 17 11.065 10.127 8.076 1.00 2.03 C ATOM 255 NE2 HIS A 17 9.855 10.235 7.567 1.00 2.20 N ATOM 0 H HIS A 17 10.680 6.886 5.222 1.00 0.30 H new ATOM 0 HA HIS A 17 12.970 7.666 3.664 1.00 0.40 H new ATOM 0 HB2 HIS A 17 12.531 9.891 4.364 1.00 0.59 H new ATOM 0 HB3 HIS A 17 11.034 9.113 3.890 1.00 0.59 H new ATOM 0 HD2 HIS A 17 9.066 9.857 5.558 1.00 1.78 H new ATOM 0 HE1 HIS A 17 11.340 10.340 9.098 1.00 2.03 H new ATOM 0 HE2 HIS A 17 9.022 10.536 8.073 1.00 2.20 H new ATOM 264 N LYS A 18 13.375 6.905 6.729 1.00 0.34 N ATOM 265 CA LYS A 18 14.369 6.643 7.748 1.00 0.39 C ATOM 266 C LYS A 18 15.459 5.723 7.208 1.00 0.37 C ATOM 267 O LYS A 18 16.646 6.017 7.327 1.00 0.47 O ATOM 268 CB LYS A 18 13.698 6.018 8.971 1.00 0.43 C ATOM 269 CG LYS A 18 14.674 5.469 10.000 1.00 0.55 C ATOM 270 CD LYS A 18 13.973 5.130 11.309 1.00 0.73 C ATOM 271 CE LYS A 18 12.757 4.239 11.094 1.00 0.80 C ATOM 272 NZ LYS A 18 12.154 3.803 12.382 1.00 1.28 N ATOM 0 H LYS A 18 12.484 6.431 6.880 1.00 0.34 H new ATOM 0 HA LYS A 18 14.835 7.584 8.040 1.00 0.39 H new ATOM 0 HB2 LYS A 18 13.066 6.767 9.448 1.00 0.43 H new ATOM 0 HB3 LYS A 18 13.043 5.212 8.641 1.00 0.43 H new ATOM 0 HG2 LYS A 18 15.158 4.577 9.604 1.00 0.55 H new ATOM 0 HG3 LYS A 18 15.459 6.202 10.186 1.00 0.55 H new ATOM 0 HD2 LYS A 18 14.675 4.630 11.976 1.00 0.73 H new ATOM 0 HD3 LYS A 18 13.664 6.051 11.803 1.00 0.73 H new ATOM 0 HE2 LYS A 18 12.012 4.777 10.508 1.00 0.80 H new ATOM 0 HE3 LYS A 18 13.047 3.363 10.514 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 11.329 3.199 12.192 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 12.857 3.268 12.931 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 11.854 4.638 12.925 1.00 1.28 H new ATOM 286 N TYR A 19 15.051 4.619 6.598 1.00 0.29 N ATOM 287 CA TYR A 19 16.005 3.627 6.121 1.00 0.29 C ATOM 288 C TYR A 19 16.556 3.947 4.739 1.00 0.33 C ATOM 289 O TYR A 19 17.566 3.383 4.346 1.00 0.44 O ATOM 290 CB TYR A 19 15.402 2.226 6.183 1.00 0.31 C ATOM 291 CG TYR A 19 15.522 1.623 7.563 1.00 0.36 C ATOM 292 CD1 TYR A 19 14.753 2.096 8.616 1.00 1.23 C ATOM 293 CD2 TYR A 19 16.430 0.604 7.823 1.00 1.28 C ATOM 294 CE1 TYR A 19 14.884 1.573 9.887 1.00 1.26 C ATOM 295 CE2 TYR A 19 16.561 0.071 9.091 1.00 1.35 C ATOM 296 CZ TYR A 19 15.786 0.563 10.120 1.00 0.62 C ATOM 297 OH TYR A 19 15.916 0.047 11.392 1.00 0.79 O ATOM 0 H TYR A 19 14.073 4.388 6.422 1.00 0.29 H new ATOM 0 HA TYR A 19 16.862 3.660 6.794 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.351 2.270 5.896 1.00 0.31 H new ATOM 0 HB3 TYR A 19 15.904 1.582 5.460 1.00 0.31 H new ATOM 0 HD1 TYR A 19 14.039 2.887 8.439 1.00 1.23 H new ATOM 0 HD2 TYR A 19 17.044 0.222 7.021 1.00 1.28 H new ATOM 0 HE1 TYR A 19 14.279 1.957 10.696 1.00 1.26 H new ATOM 0 HE2 TYR A 19 17.266 -0.726 9.275 1.00 1.35 H new ATOM 0 HH TYR A 19 15.176 -0.570 11.572 1.00 0.79 H new ATOM 307 N SER A 20 15.892 4.826 3.998 1.00 0.29 N ATOM 308 CA SER A 20 16.468 5.363 2.767 1.00 0.32 C ATOM 309 C SER A 20 17.402 6.523 3.085 1.00 0.40 C ATOM 310 O SER A 20 18.281 6.861 2.303 1.00 0.60 O ATOM 311 CB SER A 20 15.369 5.860 1.839 1.00 0.35 C ATOM 312 OG SER A 20 14.366 4.881 1.656 1.00 0.86 O ATOM 0 H SER A 20 14.963 5.181 4.223 1.00 0.29 H new ATOM 0 HA SER A 20 17.025 4.564 2.278 1.00 0.32 H new ATOM 0 HB2 SER A 20 14.924 6.766 2.252 1.00 0.35 H new ATOM 0 HB3 SER A 20 15.799 6.127 0.874 1.00 0.35 H new ATOM 0 HG SER A 20 13.764 4.880 2.430 1.00 0.86 H new ATOM 318 N GLY A 21 17.185 7.155 4.231 1.00 0.37 N ATOM 319 CA GLY A 21 18.015 8.271 4.621 1.00 0.43 C ATOM 320 C GLY A 21 19.240 7.845 5.392 1.00 0.41 C ATOM 321 O GLY A 21 19.700 8.567 6.277 1.00 0.46 O ATOM 0 H GLY A 21 16.449 6.913 4.895 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.324 8.818 3.730 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.429 8.959 5.230 1.00 0.43 H new ATOM 325 N LYS A 22 19.772 6.677 5.074 1.00 0.40 N ATOM 326 CA LYS A 22 20.928 6.171 5.799 1.00 0.46 C ATOM 327 C LYS A 22 22.209 6.319 4.984 1.00 0.52 C ATOM 328 O LYS A 22 23.136 7.028 5.380 1.00 0.65 O ATOM 329 CB LYS A 22 20.747 4.706 6.171 1.00 0.47 C ATOM 330 CG LYS A 22 19.489 4.403 6.958 1.00 0.60 C ATOM 331 CD LYS A 22 19.443 2.946 7.413 1.00 0.56 C ATOM 332 CE LYS A 22 19.582 1.956 6.256 1.00 0.49 C ATOM 333 NZ LYS A 22 20.997 1.755 5.839 1.00 1.08 N ATOM 0 H LYS A 22 19.430 6.068 4.331 1.00 0.40 H new ATOM 0 HA LYS A 22 21.013 6.768 6.707 1.00 0.46 H new ATOM 0 HB2 LYS A 22 20.740 4.112 5.257 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.610 4.384 6.754 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.438 5.057 7.828 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.615 4.620 6.344 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.242 2.770 8.133 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.502 2.762 7.931 1.00 0.56 H new ATOM 0 HE2 LYS A 22 19.154 0.997 6.550 1.00 0.49 H new ATOM 0 HE3 LYS A 22 19.004 2.315 5.404 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.131 0.771 5.529 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 21.223 2.399 5.054 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 21.627 1.954 6.642 1.00 1.08 H new ATOM 347 N GLU A 23 22.242 5.659 3.836 1.00 0.47 N ATOM 348 CA GLU A 23 23.460 5.546 3.047 1.00 0.55 C ATOM 349 C GLU A 23 23.251 6.087 1.636 1.00 0.58 C ATOM 350 O GLU A 23 22.340 5.661 0.930 1.00 0.64 O ATOM 351 CB GLU A 23 23.883 4.074 2.954 1.00 0.67 C ATOM 352 CG GLU A 23 23.976 3.359 4.296 1.00 1.15 C ATOM 353 CD GLU A 23 25.064 3.914 5.190 1.00 1.59 C ATOM 354 OE1 GLU A 23 26.255 3.750 4.851 1.00 1.96 O ATOM 355 OE2 GLU A 23 24.739 4.511 6.239 1.00 2.38 O ATOM 0 H GLU A 23 21.433 5.190 3.428 1.00 0.47 H new ATOM 0 HA GLU A 23 24.236 6.132 3.540 1.00 0.55 H new ATOM 0 HB2 GLU A 23 23.171 3.543 2.322 1.00 0.67 H new ATOM 0 HB3 GLU A 23 24.852 4.018 2.458 1.00 0.67 H new ATOM 0 HG2 GLU A 23 23.018 3.436 4.809 1.00 1.15 H new ATOM 0 HG3 GLU A 23 24.161 2.299 4.124 1.00 1.15 H new ATOM 362 N GLY A 24 24.127 6.988 1.216 1.00 0.72 N ATOM 363 CA GLY A 24 24.063 7.521 -0.131 1.00 0.85 C ATOM 364 C GLY A 24 22.901 8.473 -0.335 1.00 0.79 C ATOM 365 O GLY A 24 23.011 9.671 -0.062 1.00 0.92 O ATOM 0 H GLY A 24 24.885 7.362 1.787 1.00 0.72 H new ATOM 0 HA2 GLY A 24 24.995 8.040 -0.355 1.00 0.85 H new ATOM 0 HA3 GLY A 24 23.979 6.696 -0.839 1.00 0.85 H new ATOM 369 N ASP A 25 21.783 7.937 -0.804 1.00 0.71 N ATOM 370 CA ASP A 25 20.599 8.738 -1.089 1.00 0.70 C ATOM 371 C ASP A 25 19.787 8.973 0.175 1.00 0.73 C ATOM 372 O ASP A 25 20.201 8.603 1.273 1.00 1.34 O ATOM 373 CB ASP A 25 19.732 8.051 -2.155 1.00 0.73 C ATOM 374 CG ASP A 25 19.989 8.592 -3.545 1.00 1.04 C ATOM 375 OD1 ASP A 25 20.992 8.196 -4.173 1.00 1.75 O ATOM 376 OD2 ASP A 25 19.184 9.421 -4.022 1.00 1.65 O ATOM 0 H ASP A 25 21.670 6.942 -0.997 1.00 0.71 H new ATOM 0 HA ASP A 25 20.927 9.705 -1.471 1.00 0.70 H new ATOM 0 HB2 ASP A 25 19.928 6.979 -2.143 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.680 8.185 -1.905 1.00 0.73 H new ATOM 381 N LYS A 26 18.658 9.642 0.014 1.00 0.61 N ATOM 382 CA LYS A 26 17.745 9.896 1.110 1.00 0.56 C ATOM 383 C LYS A 26 16.315 9.594 0.673 1.00 0.49 C ATOM 384 O LYS A 26 15.378 9.644 1.464 1.00 0.55 O ATOM 385 CB LYS A 26 17.891 11.356 1.552 1.00 0.71 C ATOM 386 CG LYS A 26 16.790 11.856 2.465 1.00 1.03 C ATOM 387 CD LYS A 26 16.810 11.164 3.817 1.00 0.70 C ATOM 388 CE LYS A 26 15.815 11.786 4.776 1.00 0.94 C ATOM 389 NZ LYS A 26 15.881 11.163 6.124 1.00 1.56 N ATOM 0 H LYS A 26 18.351 10.023 -0.881 1.00 0.61 H new ATOM 0 HA LYS A 26 17.982 9.248 1.954 1.00 0.56 H new ATOM 0 HB2 LYS A 26 18.847 11.473 2.062 1.00 0.71 H new ATOM 0 HB3 LYS A 26 17.923 11.988 0.665 1.00 0.71 H new ATOM 0 HG2 LYS A 26 16.898 12.931 2.607 1.00 1.03 H new ATOM 0 HG3 LYS A 26 15.823 11.693 1.989 1.00 1.03 H new ATOM 0 HD2 LYS A 26 16.580 10.106 3.689 1.00 0.70 H new ATOM 0 HD3 LYS A 26 17.812 11.223 4.242 1.00 0.70 H new ATOM 0 HE2 LYS A 26 16.011 12.855 4.860 1.00 0.94 H new ATOM 0 HE3 LYS A 26 14.807 11.677 4.375 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 15.313 11.721 6.793 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 15.507 10.194 6.077 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 16.869 11.137 6.447 1.00 1.56 H new ATOM 403 N PHE A 27 16.166 9.241 -0.592 1.00 0.45 N ATOM 404 CA PHE A 27 14.853 9.041 -1.183 1.00 0.44 C ATOM 405 C PHE A 27 14.797 7.694 -1.877 1.00 0.40 C ATOM 406 O PHE A 27 13.790 7.334 -2.491 1.00 0.40 O ATOM 407 CB PHE A 27 14.530 10.154 -2.186 1.00 0.50 C ATOM 408 CG PHE A 27 14.360 11.514 -1.569 1.00 0.78 C ATOM 409 CD1 PHE A 27 15.449 12.348 -1.382 1.00 1.76 C ATOM 410 CD2 PHE A 27 13.107 11.960 -1.181 1.00 1.28 C ATOM 411 CE1 PHE A 27 15.295 13.599 -0.819 1.00 2.09 C ATOM 412 CE2 PHE A 27 12.946 13.208 -0.615 1.00 1.59 C ATOM 413 CZ PHE A 27 14.041 14.029 -0.434 1.00 1.65 C ATOM 0 H PHE A 27 16.943 9.086 -1.234 1.00 0.45 H new ATOM 0 HA PHE A 27 14.111 9.069 -0.385 1.00 0.44 H new ATOM 0 HB2 PHE A 27 15.328 10.202 -2.927 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.615 9.893 -2.718 1.00 0.50 H new ATOM 0 HD1 PHE A 27 16.432 12.015 -1.681 1.00 1.76 H new ATOM 0 HD2 PHE A 27 12.246 11.323 -1.323 1.00 1.28 H new ATOM 0 HE1 PHE A 27 16.153 14.240 -0.680 1.00 2.09 H new ATOM 0 HE2 PHE A 27 11.964 13.542 -0.314 1.00 1.59 H new ATOM 0 HZ PHE A 27 13.917 15.006 0.008 1.00 1.65 H new ATOM 423 N LYS A 28 15.889 6.955 -1.767 1.00 0.39 N ATOM 424 CA LYS A 28 16.003 5.652 -2.400 1.00 0.36 C ATOM 425 C LYS A 28 16.724 4.686 -1.491 1.00 0.34 C ATOM 426 O LYS A 28 17.651 5.064 -0.786 1.00 0.38 O ATOM 427 CB LYS A 28 16.763 5.716 -3.724 1.00 0.40 C ATOM 428 CG LYS A 28 16.071 6.494 -4.826 1.00 0.49 C ATOM 429 CD LYS A 28 16.697 6.162 -6.168 1.00 0.56 C ATOM 430 CE LYS A 28 16.049 6.919 -7.312 1.00 0.86 C ATOM 431 NZ LYS A 28 16.414 8.359 -7.306 1.00 1.70 N ATOM 0 H LYS A 28 16.715 7.239 -1.241 1.00 0.39 H new ATOM 0 HA LYS A 28 14.985 5.313 -2.594 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.740 6.164 -3.543 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.939 4.699 -4.074 1.00 0.40 H new ATOM 0 HG2 LYS A 28 15.008 6.252 -4.841 1.00 0.49 H new ATOM 0 HG3 LYS A 28 16.151 7.564 -4.633 1.00 0.49 H new ATOM 0 HD2 LYS A 28 17.761 6.397 -6.137 1.00 0.56 H new ATOM 0 HD3 LYS A 28 16.612 5.091 -6.350 1.00 0.56 H new ATOM 0 HE2 LYS A 28 16.352 6.473 -8.259 1.00 0.86 H new ATOM 0 HE3 LYS A 28 14.966 6.820 -7.244 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 15.560 8.934 -7.451 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 16.845 8.604 -6.392 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 17.093 8.548 -8.071 1.00 1.70 H new ATOM 445 N LEU A 29 16.291 3.446 -1.534 1.00 0.31 N ATOM 446 CA LEU A 29 16.925 2.380 -0.805 1.00 0.28 C ATOM 447 C LEU A 29 17.828 1.597 -1.729 1.00 0.31 C ATOM 448 O LEU A 29 17.359 0.867 -2.606 1.00 0.33 O ATOM 449 CB LEU A 29 15.877 1.435 -0.230 1.00 0.26 C ATOM 450 CG LEU A 29 14.911 2.063 0.754 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.597 1.316 0.747 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.513 2.045 2.143 1.00 0.25 C ATOM 0 H LEU A 29 15.482 3.151 -2.081 1.00 0.31 H new ATOM 0 HA LEU A 29 17.507 2.816 0.007 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.305 1.008 -1.054 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.388 0.609 0.264 1.00 0.26 H new ATOM 0 HG LEU A 29 14.725 3.096 0.459 1.00 0.26 H new ATOM 0 HD11 LEU A 29 12.912 1.778 1.458 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.162 1.354 -0.252 1.00 0.28 H new ATOM 0 HD13 LEU A 29 13.768 0.277 1.029 1.00 0.28 H new ATOM 0 HD21 LEU A 29 14.815 2.497 2.848 1.00 0.25 H new ATOM 0 HD22 LEU A 29 15.712 1.015 2.440 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.446 2.609 2.143 1.00 0.25 H new ATOM 464 N ASN A 30 19.116 1.749 -1.535 1.00 0.32 N ATOM 465 CA ASN A 30 20.085 0.918 -2.215 1.00 0.36 C ATOM 466 C ASN A 30 20.040 -0.456 -1.580 1.00 0.33 C ATOM 467 O ASN A 30 19.392 -0.619 -0.548 1.00 0.30 O ATOM 468 CB ASN A 30 21.474 1.551 -2.129 1.00 0.42 C ATOM 469 CG ASN A 30 21.780 2.088 -0.748 1.00 0.44 C ATOM 470 OD1 ASN A 30 21.260 3.273 -0.452 1.00 0.56 O flip ATOM 471 ND2 ASN A 30 22.438 1.432 0.059 1.00 0.43 N flip ATOM 0 H ASN A 30 19.521 2.444 -0.908 1.00 0.32 H new ATOM 0 HA ASN A 30 19.851 0.827 -3.276 1.00 0.36 H new ATOM 0 HB2 ASN A 30 22.225 0.810 -2.402 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.547 2.361 -2.855 1.00 0.42 H new ATOM 0 HD21 ASN A 30 22.819 0.525 -0.211 1.00 0.43 H new ATOM 0 HD22 ASN A 30 22.602 1.795 0.998 1.00 0.43 H new ATOM 478 N LYS A 31 20.698 -1.437 -2.183 1.00 0.35 N ATOM 479 CA LYS A 31 20.550 -2.827 -1.750 1.00 0.34 C ATOM 480 C LYS A 31 20.671 -2.973 -0.234 1.00 0.31 C ATOM 481 O LYS A 31 19.877 -3.676 0.384 1.00 0.31 O ATOM 482 CB LYS A 31 21.591 -3.740 -2.388 1.00 0.41 C ATOM 483 CG LYS A 31 21.398 -4.040 -3.869 1.00 0.68 C ATOM 484 CD LYS A 31 22.327 -5.174 -4.281 1.00 0.71 C ATOM 485 CE LYS A 31 21.977 -5.753 -5.637 1.00 1.15 C ATOM 486 NZ LYS A 31 23.014 -6.703 -6.121 1.00 1.99 N ATOM 0 H LYS A 31 21.336 -1.302 -2.968 1.00 0.35 H new ATOM 0 HA LYS A 31 19.551 -3.123 -2.072 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.573 -3.287 -2.254 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.599 -4.685 -1.844 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.361 -4.316 -4.063 1.00 0.68 H new ATOM 0 HG3 LYS A 31 21.608 -3.150 -4.462 1.00 0.68 H new ATOM 0 HD2 LYS A 31 23.354 -4.808 -4.301 1.00 0.71 H new ATOM 0 HD3 LYS A 31 22.284 -5.964 -3.531 1.00 0.71 H new ATOM 0 HE2 LYS A 31 21.017 -6.265 -5.576 1.00 1.15 H new ATOM 0 HE3 LYS A 31 21.862 -4.944 -6.358 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 22.581 -7.385 -6.777 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 23.764 -6.177 -6.613 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 23.423 -7.213 -5.312 1.00 1.99 H new ATOM 500 N SER A 32 21.664 -2.309 0.355 1.00 0.34 N ATOM 501 CA SER A 32 21.889 -2.397 1.792 1.00 0.37 C ATOM 502 C SER A 32 20.669 -1.887 2.539 1.00 0.34 C ATOM 503 O SER A 32 20.101 -2.593 3.370 1.00 0.38 O ATOM 504 CB SER A 32 23.128 -1.596 2.207 1.00 0.45 C ATOM 505 OG SER A 32 23.428 -1.789 3.584 1.00 1.33 O ATOM 0 H SER A 32 22.322 -1.707 -0.140 1.00 0.34 H new ATOM 0 HA SER A 32 22.059 -3.443 2.046 1.00 0.37 H new ATOM 0 HB2 SER A 32 23.981 -1.900 1.600 1.00 0.45 H new ATOM 0 HB3 SER A 32 22.961 -0.536 2.014 1.00 0.45 H new ATOM 0 HG SER A 32 22.749 -1.344 4.132 1.00 1.33 H new ATOM 511 N GLU A 33 20.255 -0.671 2.214 1.00 0.32 N ATOM 512 CA GLU A 33 19.115 -0.054 2.860 1.00 0.35 C ATOM 513 C GLU A 33 17.858 -0.870 2.628 1.00 0.30 C ATOM 514 O GLU A 33 17.050 -1.041 3.537 1.00 0.32 O ATOM 515 CB GLU A 33 18.924 1.354 2.332 1.00 0.45 C ATOM 516 CG GLU A 33 20.128 2.236 2.550 1.00 0.59 C ATOM 517 CD GLU A 33 19.809 3.688 2.317 1.00 1.50 C ATOM 518 OE1 GLU A 33 19.349 4.018 1.215 1.00 2.15 O ATOM 519 OE2 GLU A 33 20.026 4.493 3.237 1.00 2.32 O ATOM 0 H GLU A 33 20.698 -0.092 1.501 1.00 0.32 H new ATOM 0 HA GLU A 33 19.305 -0.014 3.933 1.00 0.35 H new ATOM 0 HB2 GLU A 33 18.702 1.309 1.266 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.059 1.804 2.819 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.496 2.104 3.568 1.00 0.59 H new ATOM 0 HG3 GLU A 33 20.930 1.928 1.879 1.00 0.59 H new ATOM 526 N LEU A 34 17.709 -1.368 1.406 1.00 0.30 N ATOM 527 CA LEU A 34 16.616 -2.251 1.062 1.00 0.33 C ATOM 528 C LEU A 34 16.593 -3.441 2.008 1.00 0.29 C ATOM 529 O LEU A 34 15.605 -3.681 2.684 1.00 0.30 O ATOM 530 CB LEU A 34 16.780 -2.739 -0.372 1.00 0.50 C ATOM 531 CG LEU A 34 15.643 -3.611 -0.884 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.401 -2.767 -1.110 1.00 1.01 C ATOM 533 CD2 LEU A 34 16.062 -4.325 -2.152 1.00 0.55 C ATOM 0 H LEU A 34 18.343 -1.168 0.633 1.00 0.30 H new ATOM 0 HA LEU A 34 15.677 -1.705 1.152 1.00 0.33 H new ATOM 0 HB2 LEU A 34 16.878 -1.873 -1.027 1.00 0.50 H new ATOM 0 HB3 LEU A 34 17.711 -3.301 -0.445 1.00 0.50 H new ATOM 0 HG LEU A 34 15.406 -4.368 -0.136 1.00 0.51 H new ATOM 0 HD11 LEU A 34 13.593 -3.400 -1.476 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.101 -2.303 -0.171 1.00 1.01 H new ATOM 0 HD13 LEU A 34 14.617 -1.992 -1.845 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.240 -4.946 -2.509 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.319 -3.590 -2.915 1.00 0.55 H new ATOM 0 HD23 LEU A 34 16.929 -4.953 -1.946 1.00 0.55 H new ATOM 545 N LYS A 35 17.702 -4.168 2.047 1.00 0.29 N ATOM 546 CA LYS A 35 17.861 -5.309 2.946 1.00 0.29 C ATOM 547 C LYS A 35 17.512 -4.959 4.381 1.00 0.29 C ATOM 548 O LYS A 35 16.711 -5.641 5.015 1.00 0.31 O ATOM 549 CB LYS A 35 19.296 -5.805 2.899 1.00 0.32 C ATOM 550 CG LYS A 35 19.608 -6.647 1.684 1.00 0.39 C ATOM 551 CD LYS A 35 21.071 -6.545 1.295 1.00 0.52 C ATOM 552 CE LYS A 35 21.992 -6.894 2.448 1.00 0.70 C ATOM 553 NZ LYS A 35 21.977 -8.347 2.763 1.00 1.29 N ATOM 0 H LYS A 35 18.516 -3.986 1.459 1.00 0.29 H new ATOM 0 HA LYS A 35 17.175 -6.085 2.607 1.00 0.29 H new ATOM 0 HB2 LYS A 35 19.968 -4.947 2.918 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.499 -6.389 3.797 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.357 -7.688 1.888 1.00 0.39 H new ATOM 0 HG3 LYS A 35 18.986 -6.326 0.849 1.00 0.39 H new ATOM 0 HD2 LYS A 35 21.271 -7.213 0.457 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.285 -5.532 0.954 1.00 0.52 H new ATOM 0 HE2 LYS A 35 23.009 -6.588 2.203 1.00 0.70 H new ATOM 0 HE3 LYS A 35 21.694 -6.330 3.332 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 22.885 -8.619 3.192 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 21.205 -8.550 3.429 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 21.831 -8.890 1.888 1.00 1.29 H new ATOM 567 N GLU A 36 18.122 -3.903 4.889 1.00 0.29 N ATOM 568 CA GLU A 36 17.935 -3.513 6.276 1.00 0.32 C ATOM 569 C GLU A 36 16.486 -3.169 6.553 1.00 0.31 C ATOM 570 O GLU A 36 15.927 -3.583 7.560 1.00 0.39 O ATOM 571 CB GLU A 36 18.834 -2.335 6.618 1.00 0.36 C ATOM 572 CG GLU A 36 20.294 -2.640 6.377 1.00 0.37 C ATOM 573 CD GLU A 36 21.194 -1.445 6.608 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.468 -1.119 7.783 1.00 1.31 O ATOM 575 OE2 GLU A 36 21.627 -0.820 5.615 1.00 1.14 O ATOM 0 H GLU A 36 18.752 -3.299 4.361 1.00 0.29 H new ATOM 0 HA GLU A 36 18.208 -4.359 6.907 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.542 -1.472 6.020 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.690 -2.062 7.663 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.603 -3.453 7.034 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.422 -2.992 5.353 1.00 0.37 H new ATOM 582 N LEU A 37 15.882 -2.421 5.653 1.00 0.27 N ATOM 583 CA LEU A 37 14.488 -2.061 5.788 1.00 0.26 C ATOM 584 C LEU A 37 13.612 -3.317 5.704 1.00 0.27 C ATOM 585 O LEU A 37 12.725 -3.513 6.512 1.00 0.31 O ATOM 586 CB LEU A 37 14.115 -1.049 4.699 1.00 0.24 C ATOM 587 CG LEU A 37 12.892 -0.174 4.985 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.840 0.996 4.027 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.616 -0.976 4.874 1.00 0.50 C ATOM 0 H LEU A 37 16.337 -2.050 4.819 1.00 0.27 H new ATOM 0 HA LEU A 37 14.319 -1.599 6.761 1.00 0.26 H new ATOM 0 HB2 LEU A 37 14.972 -0.397 4.529 1.00 0.24 H new ATOM 0 HB3 LEU A 37 13.939 -1.593 3.771 1.00 0.24 H new ATOM 0 HG LEU A 37 12.983 0.201 6.004 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.964 1.607 4.246 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.741 1.600 4.141 1.00 0.29 H new ATOM 0 HD13 LEU A 37 12.778 0.626 3.004 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.762 -0.331 5.082 1.00 0.50 H new ATOM 0 HD22 LEU A 37 11.528 -1.382 3.866 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.637 -1.794 5.594 1.00 0.50 H new ATOM 601 N LEU A 38 13.879 -4.171 4.733 1.00 0.27 N ATOM 602 CA LEU A 38 13.143 -5.422 4.591 1.00 0.29 C ATOM 603 C LEU A 38 13.231 -6.272 5.858 1.00 0.31 C ATOM 604 O LEU A 38 12.222 -6.648 6.431 1.00 0.40 O ATOM 605 CB LEU A 38 13.673 -6.221 3.399 1.00 0.32 C ATOM 606 CG LEU A 38 12.895 -6.064 2.088 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.456 -6.514 2.263 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.943 -4.631 1.592 1.00 0.43 C ATOM 0 H LEU A 38 14.601 -4.024 4.028 1.00 0.27 H new ATOM 0 HA LEU A 38 12.097 -5.168 4.421 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.708 -5.929 3.222 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.682 -7.277 3.669 1.00 0.32 H new ATOM 0 HG LEU A 38 13.370 -6.698 1.340 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.920 -6.395 1.321 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.436 -7.562 2.561 1.00 0.31 H new ATOM 0 HD13 LEU A 38 10.976 -5.909 3.032 1.00 0.31 H new ATOM 0 HD21 LEU A 38 12.383 -4.549 0.661 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.502 -3.972 2.340 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.979 -4.340 1.419 1.00 0.43 H new ATOM 620 N THR A 39 14.443 -6.586 6.268 1.00 0.32 N ATOM 621 CA THR A 39 14.680 -7.376 7.471 1.00 0.33 C ATOM 622 C THR A 39 14.056 -6.755 8.731 1.00 0.34 C ATOM 623 O THR A 39 13.452 -7.451 9.546 1.00 0.38 O ATOM 624 CB THR A 39 16.193 -7.557 7.696 1.00 0.33 C ATOM 625 OG1 THR A 39 16.833 -6.280 7.812 1.00 0.32 O ATOM 626 CG2 THR A 39 16.820 -8.319 6.542 1.00 0.35 C ATOM 0 H THR A 39 15.294 -6.304 5.781 1.00 0.32 H new ATOM 0 HA THR A 39 14.198 -8.340 7.307 1.00 0.33 H new ATOM 0 HB THR A 39 16.330 -8.123 8.617 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.799 -5.818 6.949 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.889 -8.436 6.721 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.356 -9.302 6.460 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.666 -7.767 5.615 1.00 0.35 H new ATOM 634 N ARG A 40 14.202 -5.448 8.873 1.00 0.34 N ATOM 635 CA ARG A 40 13.831 -4.738 10.101 1.00 0.37 C ATOM 636 C ARG A 40 12.402 -4.212 10.080 1.00 0.40 C ATOM 637 O ARG A 40 11.712 -4.263 11.100 1.00 0.47 O ATOM 638 CB ARG A 40 14.828 -3.604 10.313 1.00 0.37 C ATOM 639 CG ARG A 40 16.161 -4.079 10.857 1.00 0.63 C ATOM 640 CD ARG A 40 17.224 -3.008 10.725 1.00 0.56 C ATOM 641 NE ARG A 40 18.545 -3.503 11.099 1.00 1.16 N ATOM 642 CZ ARG A 40 19.687 -3.026 10.608 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.675 -1.981 9.790 1.00 1.62 N ATOM 644 NH2 ARG A 40 20.840 -3.587 10.948 1.00 2.31 N ATOM 0 H ARG A 40 14.580 -4.843 8.144 1.00 0.34 H new ATOM 0 HA ARG A 40 13.868 -5.443 10.931 1.00 0.37 H new ATOM 0 HB2 ARG A 40 14.991 -3.090 9.366 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.400 -2.876 11.002 1.00 0.37 H new ATOM 0 HG2 ARG A 40 16.050 -4.357 11.905 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.476 -4.975 10.322 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.249 -2.647 9.697 1.00 0.56 H new ATOM 0 HD3 ARG A 40 16.963 -2.158 11.355 1.00 0.56 H new ATOM 0 HE ARG A 40 18.597 -4.262 11.779 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.790 -1.542 9.537 1.00 1.62 H new ATOM 0 HH12 ARG A 40 20.551 -1.617 9.415 1.00 1.62 H new ATOM 0 HH21 ARG A 40 20.851 -4.383 11.585 1.00 2.31 H new ATOM 0 HH22 ARG A 40 21.715 -3.222 10.572 1.00 2.31 H new ATOM 658 N GLU A 41 11.957 -3.714 8.943 1.00 0.40 N ATOM 659 CA GLU A 41 10.627 -3.144 8.832 1.00 0.46 C ATOM 660 C GLU A 41 9.674 -4.112 8.145 1.00 0.54 C ATOM 661 O GLU A 41 8.541 -3.754 7.856 1.00 0.85 O ATOM 662 CB GLU A 41 10.643 -1.850 8.020 1.00 0.52 C ATOM 663 CG GLU A 41 11.933 -1.036 8.079 1.00 0.53 C ATOM 664 CD GLU A 41 12.341 -0.591 9.458 1.00 0.51 C ATOM 665 OE1 GLU A 41 11.710 0.327 10.025 1.00 1.02 O ATOM 666 OE2 GLU A 41 13.313 -1.146 9.980 1.00 1.30 O ATOM 0 H GLU A 41 12.499 -3.692 8.079 1.00 0.40 H new ATOM 0 HA GLU A 41 10.290 -2.940 9.848 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.440 -2.096 6.978 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.823 -1.219 8.364 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.740 -1.631 7.652 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.818 -0.155 7.448 1.00 0.53 H new ATOM 673 N LEU A 42 10.155 -5.303 7.821 1.00 0.40 N ATOM 674 CA LEU A 42 9.297 -6.369 7.299 1.00 0.41 C ATOM 675 C LEU A 42 9.825 -7.760 7.675 1.00 0.37 C ATOM 676 O LEU A 42 10.023 -8.607 6.795 1.00 0.36 O ATOM 677 CB LEU A 42 9.183 -6.261 5.776 1.00 0.44 C ATOM 678 CG LEU A 42 8.179 -5.232 5.264 1.00 0.50 C ATOM 679 CD1 LEU A 42 8.393 -4.981 3.787 1.00 0.65 C ATOM 680 CD2 LEU A 42 6.764 -5.716 5.511 1.00 0.74 C ATOM 0 H LEU A 42 11.138 -5.561 7.909 1.00 0.40 H new ATOM 0 HA LEU A 42 8.313 -6.245 7.751 1.00 0.41 H new ATOM 0 HB2 LEU A 42 10.165 -6.017 5.372 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.909 -7.239 5.379 1.00 0.44 H new ATOM 0 HG LEU A 42 8.331 -4.297 5.803 1.00 0.50 H new ATOM 0 HD11 LEU A 42 7.670 -4.245 3.435 1.00 0.65 H new ATOM 0 HD12 LEU A 42 9.403 -4.604 3.625 1.00 0.65 H new ATOM 0 HD13 LEU A 42 8.260 -5.912 3.237 1.00 0.65 H new ATOM 0 HD21 LEU A 42 6.056 -4.974 5.142 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.606 -6.660 4.989 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.611 -5.863 6.580 1.00 0.74 H new ATOM 692 N PRO A 43 10.055 -8.021 8.981 1.00 0.40 N ATOM 693 CA PRO A 43 10.574 -9.305 9.466 1.00 0.44 C ATOM 694 C PRO A 43 9.861 -10.515 8.908 1.00 0.45 C ATOM 695 O PRO A 43 10.480 -11.532 8.625 1.00 0.49 O ATOM 696 CB PRO A 43 10.336 -9.238 10.960 1.00 0.51 C ATOM 697 CG PRO A 43 10.446 -7.794 11.279 1.00 0.48 C ATOM 698 CD PRO A 43 9.859 -7.073 10.098 1.00 0.44 C ATOM 0 HA PRO A 43 11.613 -9.430 9.163 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.355 -9.631 11.225 1.00 0.51 H new ATOM 0 HB3 PRO A 43 11.073 -9.825 11.508 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.905 -7.552 12.194 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.485 -7.506 11.437 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.804 -6.846 10.251 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.366 -6.126 9.914 1.00 0.44 H new ATOM 706 N SER A 44 8.561 -10.424 8.781 1.00 0.45 N ATOM 707 CA SER A 44 7.799 -11.525 8.249 1.00 0.47 C ATOM 708 C SER A 44 8.117 -11.719 6.772 1.00 0.44 C ATOM 709 O SER A 44 8.547 -12.805 6.355 1.00 0.45 O ATOM 710 CB SER A 44 6.320 -11.268 8.456 1.00 0.51 C ATOM 711 OG SER A 44 5.522 -12.305 7.918 1.00 0.59 O ATOM 0 H SER A 44 8.011 -9.604 9.037 1.00 0.45 H new ATOM 0 HA SER A 44 8.070 -12.440 8.775 1.00 0.47 H new ATOM 0 HB2 SER A 44 6.115 -11.168 9.522 1.00 0.51 H new ATOM 0 HB3 SER A 44 6.048 -10.321 7.989 1.00 0.51 H new ATOM 0 HG SER A 44 4.588 -12.170 8.183 1.00 0.59 H new ATOM 717 N PHE A 45 7.954 -10.644 5.999 1.00 0.42 N ATOM 718 CA PHE A 45 8.086 -10.714 4.547 1.00 0.41 C ATOM 719 C PHE A 45 9.447 -11.263 4.138 1.00 0.42 C ATOM 720 O PHE A 45 9.544 -12.334 3.539 1.00 0.46 O ATOM 721 CB PHE A 45 7.900 -9.343 3.898 1.00 0.45 C ATOM 722 CG PHE A 45 7.815 -9.444 2.398 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.604 -9.701 1.779 1.00 1.81 C ATOM 724 CD2 PHE A 45 8.951 -9.318 1.612 1.00 1.83 C ATOM 725 CE1 PHE A 45 6.524 -9.824 0.404 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.878 -9.445 0.238 1.00 2.38 C ATOM 727 CZ PHE A 45 7.662 -9.697 -0.367 1.00 2.41 C ATOM 0 H PHE A 45 7.730 -9.715 6.357 1.00 0.42 H new ATOM 0 HA PHE A 45 7.302 -11.387 4.200 1.00 0.41 H new ATOM 0 HB2 PHE A 45 6.993 -8.878 4.283 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.732 -8.694 4.173 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.711 -9.807 2.377 1.00 1.81 H new ATOM 0 HD2 PHE A 45 9.904 -9.118 2.080 1.00 1.83 H new ATOM 0 HE1 PHE A 45 5.572 -10.019 -0.066 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.771 -9.347 -0.362 1.00 2.38 H new ATOM 0 HZ PHE A 45 7.602 -9.794 -1.441 1.00 2.41 H new ATOM 737 N LEU A 46 10.493 -10.533 4.486 1.00 0.45 N ATOM 738 CA LEU A 46 11.832 -10.876 4.036 1.00 0.57 C ATOM 739 C LEU A 46 12.529 -11.785 5.028 1.00 0.65 C ATOM 740 O LEU A 46 13.374 -12.577 4.645 1.00 0.66 O ATOM 741 CB LEU A 46 12.663 -9.617 3.812 1.00 0.67 C ATOM 742 CG LEU A 46 13.435 -9.549 2.496 1.00 0.57 C ATOM 743 CD1 LEU A 46 14.836 -10.060 2.726 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.732 -10.346 1.403 1.00 0.55 C ATOM 0 H LEU A 46 10.442 -9.703 5.076 1.00 0.45 H new ATOM 0 HA LEU A 46 11.735 -11.410 3.091 1.00 0.57 H new ATOM 0 HB2 LEU A 46 12.000 -8.754 3.866 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.374 -9.524 4.633 1.00 0.67 H new ATOM 0 HG LEU A 46 13.479 -8.514 2.157 1.00 0.57 H new ATOM 0 HD11 LEU A 46 15.397 -10.016 1.793 1.00 0.71 H new ATOM 0 HD12 LEU A 46 15.330 -9.442 3.476 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.794 -11.091 3.076 1.00 0.71 H new ATOM 0 HD21 LEU A 46 13.305 -10.279 0.478 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.654 -11.390 1.707 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.733 -9.940 1.242 1.00 0.55 H new ATOM 756 N GLY A 47 12.165 -11.680 6.301 1.00 0.74 N ATOM 757 CA GLY A 47 12.775 -12.520 7.319 1.00 0.90 C ATOM 758 C GLY A 47 12.509 -13.988 7.067 1.00 0.89 C ATOM 759 O GLY A 47 13.200 -14.857 7.599 1.00 0.99 O ATOM 0 H GLY A 47 11.460 -11.030 6.648 1.00 0.74 H new ATOM 0 HA2 GLY A 47 13.850 -12.343 7.340 1.00 0.90 H new ATOM 0 HA3 GLY A 47 12.387 -12.243 8.299 1.00 0.90 H new ATOM 763 N LYS A 48 11.499 -14.253 6.247 1.00 0.79 N ATOM 764 CA LYS A 48 11.209 -15.599 5.790 1.00 0.82 C ATOM 765 C LYS A 48 12.353 -16.131 4.926 1.00 0.78 C ATOM 766 O LYS A 48 12.616 -17.334 4.902 1.00 0.87 O ATOM 767 CB LYS A 48 9.917 -15.580 4.977 1.00 0.82 C ATOM 768 CG LYS A 48 9.371 -16.953 4.625 1.00 1.08 C ATOM 769 CD LYS A 48 8.928 -17.711 5.863 1.00 1.51 C ATOM 770 CE LYS A 48 8.261 -19.027 5.500 1.00 2.27 C ATOM 771 NZ LYS A 48 7.785 -19.754 6.704 1.00 3.17 N ATOM 0 H LYS A 48 10.863 -13.543 5.884 1.00 0.79 H new ATOM 0 HA LYS A 48 11.097 -16.253 6.654 1.00 0.82 H new ATOM 0 HB2 LYS A 48 9.158 -15.035 5.538 1.00 0.82 H new ATOM 0 HB3 LYS A 48 10.092 -15.026 4.055 1.00 0.82 H new ATOM 0 HG2 LYS A 48 8.528 -16.846 3.942 1.00 1.08 H new ATOM 0 HG3 LYS A 48 10.136 -17.526 4.101 1.00 1.08 H new ATOM 0 HD2 LYS A 48 9.790 -17.903 6.502 1.00 1.51 H new ATOM 0 HD3 LYS A 48 8.235 -17.097 6.439 1.00 1.51 H new ATOM 0 HE2 LYS A 48 7.419 -18.836 4.834 1.00 2.27 H new ATOM 0 HE3 LYS A 48 8.966 -19.653 4.952 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 7.336 -20.647 6.416 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 8.592 -19.958 7.328 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 7.094 -19.167 7.213 1.00 3.17 H new ATOM 785 N ARG A 49 13.045 -15.225 4.243 1.00 0.73 N ATOM 786 CA ARG A 49 14.111 -15.602 3.328 1.00 0.81 C ATOM 787 C ARG A 49 14.952 -14.376 2.957 1.00 0.74 C ATOM 788 O ARG A 49 14.729 -13.737 1.931 1.00 1.00 O ATOM 789 CB ARG A 49 13.492 -16.272 2.089 1.00 0.95 C ATOM 790 CG ARG A 49 14.480 -16.975 1.172 1.00 1.17 C ATOM 791 CD ARG A 49 14.872 -16.092 0.005 1.00 1.02 C ATOM 792 NE ARG A 49 15.654 -16.813 -0.999 1.00 1.61 N ATOM 793 CZ ARG A 49 15.527 -16.626 -2.312 1.00 1.87 C ATOM 794 NH1 ARG A 49 14.609 -15.791 -2.778 1.00 2.14 N ATOM 795 NH2 ARG A 49 16.307 -17.288 -3.161 1.00 2.50 N ATOM 0 H ARG A 49 12.884 -14.220 4.308 1.00 0.73 H new ATOM 0 HA ARG A 49 14.782 -16.316 3.807 1.00 0.81 H new ATOM 0 HB2 ARG A 49 12.749 -16.997 2.421 1.00 0.95 H new ATOM 0 HB3 ARG A 49 12.962 -15.514 1.513 1.00 0.95 H new ATOM 0 HG2 ARG A 49 15.370 -17.251 1.737 1.00 1.17 H new ATOM 0 HG3 ARG A 49 14.039 -17.900 0.799 1.00 1.17 H new ATOM 0 HD2 ARG A 49 13.973 -15.688 -0.460 1.00 1.02 H new ATOM 0 HD3 ARG A 49 15.450 -15.244 0.372 1.00 1.02 H new ATOM 0 HE ARG A 49 16.336 -17.499 -0.675 1.00 1.61 H new ATOM 0 HH11 ARG A 49 13.999 -15.291 -2.131 1.00 2.14 H new ATOM 0 HH12 ARG A 49 14.513 -15.648 -3.783 1.00 2.14 H new ATOM 0 HH21 ARG A 49 17.006 -17.942 -2.808 1.00 2.50 H new ATOM 0 HH22 ARG A 49 16.207 -17.142 -4.166 1.00 2.50 H new ATOM 809 N THR A 50 15.917 -14.050 3.813 1.00 0.76 N ATOM 810 CA THR A 50 16.773 -12.881 3.618 1.00 0.73 C ATOM 811 C THR A 50 18.012 -13.232 2.792 1.00 0.82 C ATOM 812 O THR A 50 19.141 -12.894 3.159 1.00 1.33 O ATOM 813 CB THR A 50 17.224 -12.299 4.972 1.00 0.74 C ATOM 814 OG1 THR A 50 17.765 -13.339 5.799 1.00 0.84 O ATOM 815 CG2 THR A 50 16.060 -11.640 5.682 1.00 0.63 C ATOM 0 H THR A 50 16.128 -14.584 4.656 1.00 0.76 H new ATOM 0 HA THR A 50 16.184 -12.138 3.080 1.00 0.73 H new ATOM 0 HB THR A 50 17.993 -11.549 4.785 1.00 0.74 H new ATOM 0 HG1 THR A 50 18.051 -12.960 6.656 1.00 0.84 H new ATOM 0 HG21 THR A 50 16.398 -11.235 6.636 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.667 -10.833 5.064 1.00 0.63 H new ATOM 0 HG23 THR A 50 15.277 -12.377 5.858 1.00 0.63 H new ATOM 823 N ASP A 51 17.801 -13.915 1.679 1.00 0.57 N ATOM 824 CA ASP A 51 18.903 -14.389 0.849 1.00 0.62 C ATOM 825 C ASP A 51 19.367 -13.295 -0.102 1.00 0.58 C ATOM 826 O ASP A 51 18.648 -12.317 -0.317 1.00 0.55 O ATOM 827 CB ASP A 51 18.464 -15.625 0.057 1.00 0.69 C ATOM 828 CG ASP A 51 19.597 -16.292 -0.698 1.00 1.26 C ATOM 829 OD1 ASP A 51 20.275 -17.153 -0.111 1.00 2.01 O ATOM 830 OD2 ASP A 51 19.798 -15.978 -1.887 1.00 1.78 O ATOM 0 H ASP A 51 16.875 -14.156 1.326 1.00 0.57 H new ATOM 0 HA ASP A 51 19.737 -14.657 1.497 1.00 0.62 H new ATOM 0 HB2 ASP A 51 18.020 -16.347 0.742 1.00 0.69 H new ATOM 0 HB3 ASP A 51 17.687 -15.336 -0.650 1.00 0.69 H new ATOM 835 N GLU A 52 20.558 -13.449 -0.666 1.00 0.67 N ATOM 836 CA GLU A 52 21.064 -12.480 -1.625 1.00 0.71 C ATOM 837 C GLU A 52 20.147 -12.403 -2.824 1.00 0.67 C ATOM 838 O GLU A 52 19.779 -11.319 -3.266 1.00 0.63 O ATOM 839 CB GLU A 52 22.475 -12.830 -2.073 1.00 0.87 C ATOM 840 CG GLU A 52 23.472 -12.812 -0.938 1.00 0.95 C ATOM 841 CD GLU A 52 24.852 -13.256 -1.364 1.00 1.31 C ATOM 842 OE1 GLU A 52 25.647 -12.402 -1.804 1.00 1.91 O ATOM 843 OE2 GLU A 52 25.154 -14.464 -1.256 1.00 1.81 O ATOM 0 H GLU A 52 21.186 -14.230 -0.477 1.00 0.67 H new ATOM 0 HA GLU A 52 21.095 -11.508 -1.133 1.00 0.71 H new ATOM 0 HB2 GLU A 52 22.471 -13.819 -2.531 1.00 0.87 H new ATOM 0 HB3 GLU A 52 22.793 -12.125 -2.841 1.00 0.87 H new ATOM 0 HG2 GLU A 52 23.530 -11.804 -0.528 1.00 0.95 H new ATOM 0 HG3 GLU A 52 23.117 -13.462 -0.138 1.00 0.95 H new ATOM 850 N ALA A 53 19.754 -13.568 -3.317 1.00 0.71 N ATOM 851 CA ALA A 53 18.860 -13.651 -4.459 1.00 0.76 C ATOM 852 C ALA A 53 17.533 -12.972 -4.147 1.00 0.66 C ATOM 853 O ALA A 53 16.917 -12.361 -5.014 1.00 0.69 O ATOM 854 CB ALA A 53 18.636 -15.103 -4.847 1.00 0.91 C ATOM 0 H ALA A 53 20.042 -14.471 -2.941 1.00 0.71 H new ATOM 0 HA ALA A 53 19.321 -13.134 -5.300 1.00 0.76 H new ATOM 0 HB1 ALA A 53 17.964 -15.151 -5.704 1.00 0.91 H new ATOM 0 HB2 ALA A 53 19.590 -15.561 -5.108 1.00 0.91 H new ATOM 0 HB3 ALA A 53 18.193 -15.640 -4.008 1.00 0.91 H new ATOM 860 N ALA A 54 17.114 -13.067 -2.895 1.00 0.60 N ATOM 861 CA ALA A 54 15.871 -12.454 -2.455 1.00 0.59 C ATOM 862 C ALA A 54 15.917 -10.945 -2.625 1.00 0.48 C ATOM 863 O ALA A 54 15.103 -10.381 -3.350 1.00 0.46 O ATOM 864 CB ALA A 54 15.580 -12.811 -1.010 1.00 0.64 C ATOM 0 H ALA A 54 17.619 -13.565 -2.163 1.00 0.60 H new ATOM 0 HA ALA A 54 15.067 -12.844 -3.079 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.646 -12.342 -0.700 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.493 -13.893 -0.913 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.392 -12.454 -0.376 1.00 0.64 H new ATOM 870 N PHE A 55 16.870 -10.291 -1.964 1.00 0.46 N ATOM 871 CA PHE A 55 16.983 -8.839 -2.058 1.00 0.42 C ATOM 872 C PHE A 55 17.335 -8.411 -3.470 1.00 0.44 C ATOM 873 O PHE A 55 16.869 -7.392 -3.949 1.00 0.45 O ATOM 874 CB PHE A 55 17.992 -8.289 -1.040 1.00 0.44 C ATOM 875 CG PHE A 55 19.462 -8.562 -1.286 1.00 1.06 C ATOM 876 CD1 PHE A 55 20.148 -7.973 -2.339 1.00 1.87 C ATOM 877 CD2 PHE A 55 20.165 -9.379 -0.417 1.00 1.98 C ATOM 878 CE1 PHE A 55 21.497 -8.209 -2.526 1.00 2.70 C ATOM 879 CE2 PHE A 55 21.515 -9.607 -0.594 1.00 2.77 C ATOM 880 CZ PHE A 55 22.181 -9.025 -1.651 1.00 2.95 C ATOM 0 H PHE A 55 17.566 -10.737 -1.366 1.00 0.46 H new ATOM 0 HA PHE A 55 16.009 -8.414 -1.814 1.00 0.42 H new ATOM 0 HB2 PHE A 55 17.857 -7.209 -0.984 1.00 0.44 H new ATOM 0 HB3 PHE A 55 17.735 -8.694 -0.061 1.00 0.44 H new ATOM 0 HD1 PHE A 55 19.621 -7.322 -3.021 1.00 1.87 H new ATOM 0 HD2 PHE A 55 19.650 -9.844 0.411 1.00 1.98 H new ATOM 0 HE1 PHE A 55 22.015 -7.754 -3.357 1.00 2.70 H new ATOM 0 HE2 PHE A 55 22.050 -10.242 0.097 1.00 2.77 H new ATOM 0 HZ PHE A 55 23.236 -9.208 -1.793 1.00 2.95 H new ATOM 890 N GLN A 56 18.169 -9.201 -4.109 1.00 0.49 N ATOM 891 CA GLN A 56 18.536 -8.982 -5.512 1.00 0.54 C ATOM 892 C GLN A 56 17.291 -8.916 -6.395 1.00 0.53 C ATOM 893 O GLN A 56 17.060 -7.919 -7.083 1.00 0.57 O ATOM 894 CB GLN A 56 19.480 -10.099 -5.984 1.00 0.62 C ATOM 895 CG GLN A 56 19.824 -10.077 -7.468 1.00 0.76 C ATOM 896 CD GLN A 56 20.365 -8.744 -7.942 1.00 0.98 C ATOM 897 OE1 GLN A 56 21.561 -8.467 -7.840 1.00 1.69 O ATOM 898 NE2 GLN A 56 19.494 -7.924 -8.502 1.00 0.87 N ATOM 0 H GLN A 56 18.616 -10.013 -3.683 1.00 0.49 H new ATOM 0 HA GLN A 56 19.053 -8.026 -5.594 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.406 -10.035 -5.412 1.00 0.62 H new ATOM 0 HB3 GLN A 56 19.025 -11.061 -5.748 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.561 -10.853 -7.674 1.00 0.76 H new ATOM 0 HG3 GLN A 56 18.932 -10.324 -8.044 1.00 0.76 H new ATOM 0 HE21 GLN A 56 18.512 -8.191 -8.567 1.00 0.87 H new ATOM 0 HE22 GLN A 56 19.804 -7.024 -8.869 1.00 0.87 H new ATOM 907 N LYS A 57 16.482 -9.966 -6.358 1.00 0.51 N ATOM 908 CA LYS A 57 15.268 -10.010 -7.157 1.00 0.52 C ATOM 909 C LYS A 57 14.283 -8.943 -6.702 1.00 0.48 C ATOM 910 O LYS A 57 13.786 -8.170 -7.517 1.00 0.48 O ATOM 911 CB LYS A 57 14.619 -11.395 -7.092 1.00 0.55 C ATOM 912 CG LYS A 57 14.866 -12.241 -8.334 1.00 0.76 C ATOM 913 CD LYS A 57 16.342 -12.558 -8.530 1.00 1.01 C ATOM 914 CE LYS A 57 16.808 -13.692 -7.626 1.00 0.87 C ATOM 915 NZ LYS A 57 16.115 -14.974 -7.925 1.00 1.60 N ATOM 0 H LYS A 57 16.644 -10.795 -5.786 1.00 0.51 H new ATOM 0 HA LYS A 57 15.543 -9.809 -8.192 1.00 0.52 H new ATOM 0 HB2 LYS A 57 15.000 -11.925 -6.219 1.00 0.55 H new ATOM 0 HB3 LYS A 57 13.545 -11.278 -6.950 1.00 0.55 H new ATOM 0 HG2 LYS A 57 14.304 -13.171 -8.255 1.00 0.76 H new ATOM 0 HG3 LYS A 57 14.490 -11.714 -9.211 1.00 0.76 H new ATOM 0 HD2 LYS A 57 16.519 -12.828 -9.571 1.00 1.01 H new ATOM 0 HD3 LYS A 57 16.934 -11.666 -8.327 1.00 1.01 H new ATOM 0 HE2 LYS A 57 17.883 -13.827 -7.742 1.00 0.87 H new ATOM 0 HE3 LYS A 57 16.631 -13.420 -6.585 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 16.821 -15.713 -8.118 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 15.535 -15.254 -7.109 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 15.505 -14.853 -8.758 1.00 1.60 H new ATOM 929 N LEU A 58 14.031 -8.885 -5.399 1.00 0.46 N ATOM 930 CA LEU A 58 13.071 -7.942 -4.841 1.00 0.43 C ATOM 931 C LEU A 58 13.439 -6.513 -5.200 1.00 0.43 C ATOM 932 O LEU A 58 12.571 -5.701 -5.508 1.00 0.42 O ATOM 933 CB LEU A 58 13.001 -8.086 -3.326 1.00 0.43 C ATOM 934 CG LEU A 58 11.834 -7.361 -2.672 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.516 -7.937 -3.160 1.00 0.40 C ATOM 936 CD2 LEU A 58 11.936 -7.453 -1.163 1.00 0.41 C ATOM 0 H LEU A 58 14.481 -9.484 -4.707 1.00 0.46 H new ATOM 0 HA LEU A 58 12.095 -8.169 -5.269 1.00 0.43 H new ATOM 0 HB2 LEU A 58 12.938 -9.146 -3.078 1.00 0.43 H new ATOM 0 HB3 LEU A 58 13.930 -7.713 -2.896 1.00 0.43 H new ATOM 0 HG LEU A 58 11.872 -6.309 -2.953 1.00 0.39 H new ATOM 0 HD11 LEU A 58 9.690 -7.409 -2.684 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.446 -7.820 -4.241 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.465 -8.996 -2.905 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.094 -6.930 -0.709 1.00 0.41 H new ATOM 0 HD22 LEU A 58 11.918 -8.500 -0.860 1.00 0.41 H new ATOM 0 HD23 LEU A 58 12.869 -6.995 -0.833 1.00 0.41 H new ATOM 948 N MET A 59 14.729 -6.220 -5.156 1.00 0.46 N ATOM 949 CA MET A 59 15.242 -4.916 -5.537 1.00 0.48 C ATOM 950 C MET A 59 14.756 -4.552 -6.924 1.00 0.48 C ATOM 951 O MET A 59 13.981 -3.623 -7.090 1.00 0.49 O ATOM 952 CB MET A 59 16.772 -4.949 -5.513 1.00 0.54 C ATOM 953 CG MET A 59 17.425 -3.728 -6.120 1.00 0.57 C ATOM 954 SD MET A 59 19.209 -3.853 -6.182 1.00 1.64 S ATOM 955 CE MET A 59 19.370 -5.047 -7.502 1.00 2.39 C ATOM 0 H MET A 59 15.448 -6.879 -4.856 1.00 0.46 H new ATOM 0 HA MET A 59 14.883 -4.166 -4.832 1.00 0.48 H new ATOM 0 HB2 MET A 59 17.106 -5.051 -4.481 1.00 0.54 H new ATOM 0 HB3 MET A 59 17.114 -5.835 -6.048 1.00 0.54 H new ATOM 0 HG2 MET A 59 17.041 -3.580 -7.129 1.00 0.57 H new ATOM 0 HG3 MET A 59 17.147 -2.847 -5.541 1.00 0.57 H new ATOM 0 HE1 MET A 59 20.320 -4.896 -8.015 1.00 2.39 H new ATOM 0 HE2 MET A 59 19.337 -6.054 -7.087 1.00 2.39 H new ATOM 0 HE3 MET A 59 18.551 -4.919 -8.210 1.00 2.39 H new ATOM 965 N SER A 60 15.168 -5.346 -7.895 1.00 0.50 N ATOM 966 CA SER A 60 14.773 -5.158 -9.288 1.00 0.53 C ATOM 967 C SER A 60 13.246 -5.200 -9.474 1.00 0.52 C ATOM 968 O SER A 60 12.719 -4.658 -10.438 1.00 0.56 O ATOM 969 CB SER A 60 15.449 -6.212 -10.166 1.00 0.56 C ATOM 970 OG SER A 60 15.328 -7.507 -9.600 1.00 1.35 O ATOM 0 H SER A 60 15.787 -6.142 -7.745 1.00 0.50 H new ATOM 0 HA SER A 60 15.102 -4.164 -9.593 1.00 0.53 H new ATOM 0 HB2 SER A 60 15.000 -6.203 -11.159 1.00 0.56 H new ATOM 0 HB3 SER A 60 16.503 -5.964 -10.290 1.00 0.56 H new ATOM 0 HG SER A 60 14.609 -7.507 -8.934 1.00 1.35 H new ATOM 976 N ASN A 61 12.546 -5.860 -8.558 1.00 0.49 N ATOM 977 CA ASN A 61 11.083 -5.952 -8.624 1.00 0.51 C ATOM 978 C ASN A 61 10.454 -4.588 -8.390 1.00 0.50 C ATOM 979 O ASN A 61 9.589 -4.145 -9.146 1.00 0.57 O ATOM 980 CB ASN A 61 10.529 -6.938 -7.586 1.00 0.49 C ATOM 981 CG ASN A 61 10.854 -8.385 -7.900 1.00 0.58 C ATOM 982 OD1 ASN A 61 10.922 -9.221 -6.870 1.00 0.80 O flip ATOM 983 ND2 ASN A 61 11.029 -8.758 -9.058 1.00 0.58 N flip ATOM 0 H ASN A 61 12.963 -6.340 -7.760 1.00 0.49 H new ATOM 0 HA ASN A 61 10.830 -6.314 -9.621 1.00 0.51 H new ATOM 0 HB2 ASN A 61 10.933 -6.687 -6.605 1.00 0.49 H new ATOM 0 HB3 ASN A 61 9.447 -6.821 -7.525 1.00 0.49 H new ATOM 0 HD21 ASN A 61 10.969 -8.088 -9.824 1.00 0.58 H new ATOM 0 HD22 ASN A 61 11.234 -9.738 -9.253 1.00 0.58 H new ATOM 990 N LEU A 62 10.904 -3.931 -7.336 1.00 0.44 N ATOM 991 CA LEU A 62 10.345 -2.652 -6.921 1.00 0.44 C ATOM 992 C LEU A 62 11.005 -1.533 -7.693 1.00 0.49 C ATOM 993 O LEU A 62 10.336 -0.648 -8.226 1.00 0.55 O ATOM 994 CB LEU A 62 10.594 -2.450 -5.430 1.00 0.38 C ATOM 995 CG LEU A 62 10.540 -3.733 -4.601 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.874 -3.452 -3.146 1.00 0.31 C ATOM 997 CD2 LEU A 62 9.184 -4.408 -4.741 1.00 0.35 C ATOM 0 H LEU A 62 11.664 -4.265 -6.744 1.00 0.44 H new ATOM 0 HA LEU A 62 9.273 -2.646 -7.119 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.572 -1.987 -5.297 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.854 -1.750 -5.042 1.00 0.38 H new ATOM 0 HG LEU A 62 11.294 -4.421 -4.984 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.829 -4.380 -2.577 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.878 -3.033 -3.078 1.00 0.31 H new ATOM 0 HD13 LEU A 62 10.155 -2.741 -2.738 1.00 0.31 H new ATOM 0 HD21 LEU A 62 9.168 -5.319 -4.143 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.403 -3.732 -4.393 1.00 0.35 H new ATOM 0 HD23 LEU A 62 9.008 -4.658 -5.787 1.00 0.35 H new ATOM 1009 N ASP A 63 12.328 -1.613 -7.737 1.00 0.48 N ATOM 1010 CA ASP A 63 13.183 -0.662 -8.433 1.00 0.54 C ATOM 1011 C ASP A 63 12.837 -0.633 -9.919 1.00 0.57 C ATOM 1012 O ASP A 63 13.445 -1.313 -10.741 1.00 0.63 O ATOM 1013 CB ASP A 63 14.649 -1.071 -8.171 1.00 0.56 C ATOM 1014 CG ASP A 63 15.683 -0.468 -9.095 1.00 0.67 C ATOM 1015 OD1 ASP A 63 15.894 0.752 -9.056 1.00 1.34 O ATOM 1016 OD2 ASP A 63 16.343 -1.241 -9.821 1.00 1.24 O ATOM 0 H ASP A 63 12.849 -2.360 -7.278 1.00 0.48 H new ATOM 0 HA ASP A 63 13.030 0.353 -8.065 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.903 -0.798 -7.147 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.720 -2.157 -8.239 1.00 0.56 H new ATOM 1021 N SER A 64 11.814 0.137 -10.242 1.00 0.59 N ATOM 1022 CA SER A 64 11.327 0.255 -11.602 1.00 0.64 C ATOM 1023 C SER A 64 12.219 1.212 -12.369 1.00 0.66 C ATOM 1024 O SER A 64 12.343 1.137 -13.590 1.00 0.76 O ATOM 1025 CB SER A 64 9.882 0.750 -11.591 1.00 0.72 C ATOM 1026 OG SER A 64 9.106 0.011 -10.656 1.00 1.37 O ATOM 0 H SER A 64 11.297 0.699 -9.566 1.00 0.59 H new ATOM 0 HA SER A 64 11.351 -0.718 -12.092 1.00 0.64 H new ATOM 0 HB2 SER A 64 9.857 1.809 -11.336 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.451 0.652 -12.587 1.00 0.72 H new ATOM 0 HG SER A 64 9.649 -0.188 -9.865 1.00 1.37 H new ATOM 1032 N ASN A 65 12.851 2.105 -11.622 1.00 0.63 N ATOM 1033 CA ASN A 65 13.825 3.032 -12.176 1.00 0.72 C ATOM 1034 C ASN A 65 15.086 2.271 -12.589 1.00 0.69 C ATOM 1035 O ASN A 65 15.890 2.741 -13.394 1.00 0.77 O ATOM 1036 CB ASN A 65 14.163 4.114 -11.145 1.00 0.79 C ATOM 1037 CG ASN A 65 15.032 3.581 -10.035 1.00 1.01 C ATOM 1038 OD1 ASN A 65 16.250 3.701 -10.081 1.00 1.65 O ATOM 1039 ND2 ASN A 65 14.421 2.982 -9.031 1.00 1.16 N ATOM 0 H ASN A 65 12.703 2.207 -10.618 1.00 0.63 H new ATOM 0 HA ASN A 65 13.403 3.514 -13.058 1.00 0.72 H new ATOM 0 HB2 ASN A 65 14.673 4.941 -11.640 1.00 0.79 H new ATOM 0 HB3 ASN A 65 13.241 4.515 -10.724 1.00 0.79 H new ATOM 0 HD21 ASN A 65 14.965 2.600 -8.258 1.00 1.16 H new ATOM 0 HD22 ASN A 65 13.404 2.901 -9.028 1.00 1.16 H new ATOM 1046 N ARG A 66 15.201 1.064 -12.028 1.00 0.60 N ATOM 1047 CA ARG A 66 16.272 0.116 -12.303 1.00 0.60 C ATOM 1048 C ARG A 66 17.660 0.717 -12.156 1.00 0.61 C ATOM 1049 O ARG A 66 18.556 0.446 -12.958 1.00 0.69 O ATOM 1050 CB ARG A 66 16.115 -0.508 -13.672 1.00 0.67 C ATOM 1051 CG ARG A 66 14.833 -1.302 -13.853 1.00 0.71 C ATOM 1052 CD ARG A 66 14.843 -2.614 -13.074 1.00 0.71 C ATOM 1053 NE ARG A 66 13.955 -3.598 -13.691 1.00 0.78 N ATOM 1054 CZ ARG A 66 12.655 -3.707 -13.422 1.00 1.20 C ATOM 1055 NH1 ARG A 66 12.089 -2.931 -12.507 1.00 2.24 N ATOM 1056 NH2 ARG A 66 11.919 -4.602 -14.067 1.00 1.15 N ATOM 0 H ARG A 66 14.526 0.713 -11.348 1.00 0.60 H new ATOM 0 HA ARG A 66 16.181 -0.661 -11.544 1.00 0.60 H new ATOM 0 HB2 ARG A 66 16.150 0.280 -14.424 1.00 0.67 H new ATOM 0 HB3 ARG A 66 16.965 -1.165 -13.859 1.00 0.67 H new ATOM 0 HG2 ARG A 66 13.986 -0.697 -13.529 1.00 0.71 H new ATOM 0 HG3 ARG A 66 14.687 -1.513 -14.912 1.00 0.71 H new ATOM 0 HD2 ARG A 66 15.858 -3.010 -13.034 1.00 0.71 H new ATOM 0 HD3 ARG A 66 14.531 -2.432 -12.045 1.00 0.71 H new ATOM 0 HE ARG A 66 14.357 -4.243 -14.371 1.00 0.78 H new ATOM 0 HH11 ARG A 66 12.650 -2.244 -12.003 1.00 2.24 H new ATOM 0 HH12 ARG A 66 11.093 -3.021 -12.307 1.00 2.24 H new ATOM 0 HH21 ARG A 66 12.349 -5.206 -14.768 1.00 1.15 H new ATOM 0 HH22 ARG A 66 10.923 -4.687 -13.862 1.00 1.15 H new ATOM 1070 N ASP A 67 17.840 1.509 -11.120 1.00 0.58 N ATOM 1071 CA ASP A 67 19.170 1.952 -10.729 1.00 0.62 C ATOM 1072 C ASP A 67 19.618 1.115 -9.555 1.00 0.56 C ATOM 1073 O ASP A 67 20.674 1.346 -8.967 1.00 0.57 O ATOM 1074 CB ASP A 67 19.205 3.436 -10.358 1.00 0.70 C ATOM 1075 CG ASP A 67 19.406 4.341 -11.555 1.00 1.07 C ATOM 1076 OD1 ASP A 67 20.393 4.147 -12.296 1.00 1.64 O ATOM 1077 OD2 ASP A 67 18.593 5.269 -11.756 1.00 1.72 O ATOM 0 H ASP A 67 17.085 1.861 -10.531 1.00 0.58 H new ATOM 0 HA ASP A 67 19.842 1.826 -11.578 1.00 0.62 H new ATOM 0 HB2 ASP A 67 18.272 3.702 -9.861 1.00 0.70 H new ATOM 0 HB3 ASP A 67 20.008 3.607 -9.641 1.00 0.70 H new ATOM 1082 N ASN A 68 18.775 0.141 -9.229 1.00 0.53 N ATOM 1083 CA ASN A 68 19.014 -0.793 -8.144 1.00 0.51 C ATOM 1084 C ASN A 68 18.943 -0.084 -6.812 1.00 0.47 C ATOM 1085 O ASN A 68 19.628 -0.438 -5.850 1.00 0.48 O ATOM 1086 CB ASN A 68 20.332 -1.539 -8.336 1.00 0.58 C ATOM 1087 CG ASN A 68 20.277 -2.449 -9.549 1.00 0.73 C ATOM 1088 OD1 ASN A 68 19.069 -2.859 -9.933 1.00 1.08 O flip ATOM 1089 ND2 ASN A 68 21.304 -2.762 -10.153 1.00 0.66 N flip ATOM 0 H ASN A 68 17.896 -0.021 -9.720 1.00 0.53 H new ATOM 0 HA ASN A 68 18.227 -1.547 -8.154 1.00 0.51 H new ATOM 0 HB2 ASN A 68 21.145 -0.822 -8.453 1.00 0.58 H new ATOM 0 HB3 ASN A 68 20.552 -2.128 -7.446 1.00 0.58 H new ATOM 0 HD21 ASN A 68 22.210 -2.427 -9.826 1.00 0.66 H new ATOM 0 HD22 ASN A 68 21.248 -3.356 -10.980 1.00 0.66 H new ATOM 1096 N GLU A 69 18.094 0.928 -6.782 1.00 0.46 N ATOM 1097 CA GLU A 69 17.761 1.634 -5.567 1.00 0.42 C ATOM 1098 C GLU A 69 16.278 1.943 -5.603 1.00 0.41 C ATOM 1099 O GLU A 69 15.809 2.690 -6.461 1.00 0.44 O ATOM 1100 CB GLU A 69 18.559 2.930 -5.438 1.00 0.46 C ATOM 1101 CG GLU A 69 20.054 2.751 -5.643 1.00 0.50 C ATOM 1102 CD GLU A 69 20.831 4.045 -5.527 1.00 0.65 C ATOM 1103 OE1 GLU A 69 20.884 4.808 -6.519 1.00 1.31 O ATOM 1104 OE2 GLU A 69 21.417 4.294 -4.457 1.00 1.29 O ATOM 0 H GLU A 69 17.615 1.282 -7.610 1.00 0.46 H new ATOM 0 HA GLU A 69 18.010 1.013 -4.707 1.00 0.42 H new ATOM 0 HB2 GLU A 69 18.185 3.650 -6.166 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.385 3.356 -4.450 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.432 2.040 -4.908 1.00 0.50 H new ATOM 0 HG3 GLU A 69 20.230 2.316 -6.627 1.00 0.50 H new ATOM 1111 N VAL A 70 15.551 1.368 -4.674 1.00 0.37 N ATOM 1112 CA VAL A 70 14.097 1.490 -4.656 1.00 0.36 C ATOM 1113 C VAL A 70 13.663 2.812 -4.059 1.00 0.35 C ATOM 1114 O VAL A 70 13.981 3.114 -2.914 1.00 0.36 O ATOM 1115 CB VAL A 70 13.453 0.353 -3.850 1.00 0.34 C ATOM 1116 CG1 VAL A 70 11.967 0.601 -3.681 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.690 -0.972 -4.538 1.00 0.37 C ATOM 0 H VAL A 70 15.937 0.807 -3.914 1.00 0.37 H new ATOM 0 HA VAL A 70 13.765 1.434 -5.693 1.00 0.36 H new ATOM 0 HB VAL A 70 13.912 0.322 -2.862 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.525 -0.214 -3.108 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.813 1.542 -3.153 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.493 0.654 -4.661 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.229 -1.771 -3.957 1.00 0.37 H new ATOM 0 HG22 VAL A 70 13.251 -0.948 -5.535 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.762 -1.154 -4.618 1.00 0.37 H new ATOM 1127 N ASP A 71 12.927 3.594 -4.827 1.00 0.38 N ATOM 1128 CA ASP A 71 12.448 4.870 -4.328 1.00 0.39 C ATOM 1129 C ASP A 71 11.297 4.650 -3.363 1.00 0.37 C ATOM 1130 O ASP A 71 10.690 3.581 -3.351 1.00 0.35 O ATOM 1131 CB ASP A 71 12.022 5.814 -5.464 1.00 0.45 C ATOM 1132 CG ASP A 71 10.513 5.954 -5.624 1.00 0.77 C ATOM 1133 OD1 ASP A 71 9.909 5.165 -6.364 1.00 1.43 O ATOM 1134 OD2 ASP A 71 9.923 6.871 -5.002 1.00 1.35 O ATOM 0 H ASP A 71 12.651 3.373 -5.784 1.00 0.38 H new ATOM 0 HA ASP A 71 13.274 5.350 -3.804 1.00 0.39 H new ATOM 0 HB2 ASP A 71 12.450 6.800 -5.283 1.00 0.45 H new ATOM 0 HB3 ASP A 71 12.444 5.451 -6.401 1.00 0.45 H new ATOM 1139 N PHE A 72 11.026 5.652 -2.546 1.00 0.41 N ATOM 1140 CA PHE A 72 9.937 5.597 -1.582 1.00 0.44 C ATOM 1141 C PHE A 72 8.657 5.052 -2.204 1.00 0.40 C ATOM 1142 O PHE A 72 8.073 4.094 -1.707 1.00 0.42 O ATOM 1143 CB PHE A 72 9.667 6.990 -1.045 1.00 0.54 C ATOM 1144 CG PHE A 72 10.762 7.567 -0.205 1.00 0.94 C ATOM 1145 CD1 PHE A 72 11.572 6.746 0.547 1.00 1.70 C ATOM 1146 CD2 PHE A 72 10.956 8.938 -0.142 1.00 1.69 C ATOM 1147 CE1 PHE A 72 12.554 7.274 1.341 1.00 2.17 C ATOM 1148 CE2 PHE A 72 11.937 9.470 0.659 1.00 2.18 C ATOM 1149 CZ PHE A 72 12.737 8.637 1.402 1.00 2.15 C ATOM 0 H PHE A 72 11.552 6.526 -2.530 1.00 0.41 H new ATOM 0 HA PHE A 72 10.240 4.926 -0.778 1.00 0.44 H new ATOM 0 HB2 PHE A 72 9.484 7.658 -1.886 1.00 0.54 H new ATOM 0 HB3 PHE A 72 8.751 6.964 -0.454 1.00 0.54 H new ATOM 0 HD1 PHE A 72 11.431 5.676 0.510 1.00 1.70 H new ATOM 0 HD2 PHE A 72 10.330 9.594 -0.728 1.00 1.69 H new ATOM 0 HE1 PHE A 72 13.187 6.619 1.921 1.00 2.17 H new ATOM 0 HE2 PHE A 72 12.079 10.540 0.704 1.00 2.18 H new ATOM 0 HZ PHE A 72 13.509 9.051 2.034 1.00 2.15 H new ATOM 1159 N GLN A 73 8.226 5.684 -3.284 1.00 0.38 N ATOM 1160 CA GLN A 73 7.035 5.266 -4.013 1.00 0.37 C ATOM 1161 C GLN A 73 7.135 3.813 -4.486 1.00 0.36 C ATOM 1162 O GLN A 73 6.200 3.037 -4.297 1.00 0.37 O ATOM 1163 CB GLN A 73 6.783 6.207 -5.198 1.00 0.41 C ATOM 1164 CG GLN A 73 5.652 5.761 -6.108 1.00 0.50 C ATOM 1165 CD GLN A 73 6.152 5.170 -7.412 1.00 0.42 C ATOM 1166 OE1 GLN A 73 6.501 3.893 -7.389 1.00 0.63 O flip ATOM 1167 NE2 GLN A 73 6.271 5.870 -8.419 1.00 0.41 N flip ATOM 0 H GLN A 73 8.690 6.501 -3.681 1.00 0.38 H new ATOM 0 HA GLN A 73 6.189 5.323 -3.328 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.558 7.203 -4.817 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.698 6.289 -5.785 1.00 0.41 H new ATOM 0 HG2 GLN A 73 5.042 5.022 -5.588 1.00 0.50 H new ATOM 0 HG3 GLN A 73 5.006 6.612 -6.323 1.00 0.50 H new ATOM 0 HE21 GLN A 73 5.990 6.850 -8.395 1.00 0.41 H new ATOM 0 HE22 GLN A 73 6.650 5.469 -9.277 1.00 0.41 H new ATOM 1176 N GLU A 74 8.252 3.442 -5.108 1.00 0.37 N ATOM 1177 CA GLU A 74 8.455 2.077 -5.579 1.00 0.40 C ATOM 1178 C GLU A 74 8.446 1.103 -4.412 1.00 0.38 C ATOM 1179 O GLU A 74 8.096 -0.071 -4.561 1.00 0.41 O ATOM 1180 CB GLU A 74 9.738 1.985 -6.409 1.00 0.45 C ATOM 1181 CG GLU A 74 9.532 2.524 -7.821 1.00 0.59 C ATOM 1182 CD GLU A 74 10.805 2.654 -8.638 1.00 1.40 C ATOM 1183 OE1 GLU A 74 11.855 2.136 -8.218 1.00 2.04 O ATOM 1184 OE2 GLU A 74 10.745 3.257 -9.735 1.00 2.18 O ATOM 0 H GLU A 74 9.032 4.071 -5.297 1.00 0.37 H new ATOM 0 HA GLU A 74 7.629 1.797 -6.233 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.532 2.547 -5.917 1.00 0.45 H new ATOM 0 HB3 GLU A 74 10.066 0.947 -6.459 1.00 0.45 H new ATOM 0 HG2 GLU A 74 8.842 1.867 -8.350 1.00 0.59 H new ATOM 0 HG3 GLU A 74 9.055 3.502 -7.757 1.00 0.59 H new ATOM 1191 N TYR A 75 8.773 1.607 -3.233 1.00 0.34 N ATOM 1192 CA TYR A 75 8.749 0.789 -2.042 1.00 0.37 C ATOM 1193 C TYR A 75 7.332 0.738 -1.462 1.00 0.34 C ATOM 1194 O TYR A 75 6.932 -0.240 -0.836 1.00 0.34 O ATOM 1195 CB TYR A 75 9.733 1.303 -0.996 1.00 0.43 C ATOM 1196 CG TYR A 75 10.011 0.244 0.038 1.00 0.86 C ATOM 1197 CD1 TYR A 75 10.919 -0.770 -0.226 1.00 1.72 C ATOM 1198 CD2 TYR A 75 9.331 0.221 1.247 1.00 1.50 C ATOM 1199 CE1 TYR A 75 11.141 -1.779 0.682 1.00 2.09 C ATOM 1200 CE2 TYR A 75 9.557 -0.783 2.167 1.00 1.86 C ATOM 1201 CZ TYR A 75 10.460 -1.782 1.875 1.00 1.84 C ATOM 1202 OH TYR A 75 10.672 -2.797 2.775 1.00 2.33 O ATOM 0 H TYR A 75 9.056 2.575 -3.080 1.00 0.34 H new ATOM 0 HA TYR A 75 9.054 -0.220 -2.321 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.664 1.600 -1.480 1.00 0.43 H new ATOM 0 HB3 TYR A 75 9.327 2.192 -0.513 1.00 0.43 H new ATOM 0 HD1 TYR A 75 11.461 -0.768 -1.160 1.00 1.72 H new ATOM 0 HD2 TYR A 75 8.616 0.998 1.471 1.00 1.50 H new ATOM 0 HE1 TYR A 75 11.847 -2.565 0.458 1.00 2.09 H new ATOM 0 HE2 TYR A 75 9.030 -0.785 3.109 1.00 1.86 H new ATOM 0 HH TYR A 75 10.092 -2.670 3.554 1.00 2.33 H new ATOM 1212 N SER A 76 6.581 1.807 -1.671 1.00 0.35 N ATOM 1213 CA SER A 76 5.189 1.868 -1.249 1.00 0.37 C ATOM 1214 C SER A 76 4.346 0.943 -2.125 1.00 0.36 C ATOM 1215 O SER A 76 3.383 0.322 -1.660 1.00 0.41 O ATOM 1216 CB SER A 76 4.684 3.310 -1.335 1.00 0.41 C ATOM 1217 OG SER A 76 3.349 3.422 -0.875 1.00 1.21 O ATOM 0 H SER A 76 6.915 2.652 -2.135 1.00 0.35 H new ATOM 0 HA SER A 76 5.105 1.536 -0.214 1.00 0.37 H new ATOM 0 HB2 SER A 76 5.329 3.958 -0.742 1.00 0.41 H new ATOM 0 HB3 SER A 76 4.745 3.657 -2.367 1.00 0.41 H new ATOM 0 HG SER A 76 3.003 4.314 -1.088 1.00 1.21 H new ATOM 1223 N VAL A 77 4.739 0.841 -3.389 1.00 0.35 N ATOM 1224 CA VAL A 77 4.124 -0.092 -4.322 1.00 0.36 C ATOM 1225 C VAL A 77 4.420 -1.504 -3.861 1.00 0.33 C ATOM 1226 O VAL A 77 3.604 -2.413 -3.986 1.00 0.33 O ATOM 1227 CB VAL A 77 4.662 0.105 -5.759 1.00 0.40 C ATOM 1228 CG1 VAL A 77 4.213 -1.030 -6.667 1.00 0.43 C ATOM 1229 CG2 VAL A 77 4.213 1.444 -6.319 1.00 0.44 C ATOM 0 H VAL A 77 5.490 1.401 -3.794 1.00 0.35 H new ATOM 0 HA VAL A 77 3.050 0.091 -4.340 1.00 0.36 H new ATOM 0 HB VAL A 77 5.751 0.096 -5.717 1.00 0.40 H new ATOM 0 HG11 VAL A 77 4.604 -0.869 -7.672 1.00 0.43 H new ATOM 0 HG12 VAL A 77 4.589 -1.977 -6.279 1.00 0.43 H new ATOM 0 HG13 VAL A 77 3.124 -1.059 -6.702 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.601 1.564 -7.330 1.00 0.44 H new ATOM 0 HG22 VAL A 77 3.124 1.482 -6.342 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.591 2.248 -5.687 1.00 0.44 H new ATOM 1239 N PHE A 78 5.609 -1.661 -3.317 1.00 0.32 N ATOM 1240 CA PHE A 78 6.022 -2.911 -2.721 1.00 0.29 C ATOM 1241 C PHE A 78 5.096 -3.306 -1.572 1.00 0.27 C ATOM 1242 O PHE A 78 4.495 -4.378 -1.593 1.00 0.28 O ATOM 1243 CB PHE A 78 7.449 -2.780 -2.213 1.00 0.27 C ATOM 1244 CG PHE A 78 7.914 -3.979 -1.442 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.689 -5.260 -1.919 1.00 1.22 C ATOM 1246 CD2 PHE A 78 8.565 -3.821 -0.236 1.00 1.18 C ATOM 1247 CE1 PHE A 78 8.106 -6.359 -1.203 1.00 1.24 C ATOM 1248 CE2 PHE A 78 8.986 -4.917 0.482 1.00 1.19 C ATOM 1249 CZ PHE A 78 8.756 -6.186 -0.001 1.00 0.37 C ATOM 0 H PHE A 78 6.314 -0.925 -3.276 1.00 0.32 H new ATOM 0 HA PHE A 78 5.969 -3.691 -3.480 1.00 0.29 H new ATOM 0 HB2 PHE A 78 8.116 -2.620 -3.060 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.522 -1.897 -1.578 1.00 0.27 H new ATOM 0 HD1 PHE A 78 7.181 -5.398 -2.862 1.00 1.22 H new ATOM 0 HD2 PHE A 78 8.746 -2.828 0.148 1.00 1.18 H new ATOM 0 HE1 PHE A 78 7.924 -7.354 -1.582 1.00 1.24 H new ATOM 0 HE2 PHE A 78 9.497 -4.782 1.424 1.00 1.19 H new ATOM 0 HZ PHE A 78 9.085 -7.046 0.563 1.00 0.37 H new ATOM 1259 N LEU A 79 4.983 -2.433 -0.580 1.00 0.27 N ATOM 1260 CA LEU A 79 4.168 -2.709 0.600 1.00 0.26 C ATOM 1261 C LEU A 79 2.734 -3.055 0.217 1.00 0.31 C ATOM 1262 O LEU A 79 2.108 -3.924 0.827 1.00 0.33 O ATOM 1263 CB LEU A 79 4.198 -1.514 1.553 1.00 0.29 C ATOM 1264 CG LEU A 79 5.588 -1.163 2.084 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.518 -0.010 3.065 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.224 -2.377 2.737 1.00 0.30 C ATOM 0 H LEU A 79 5.446 -1.524 -0.567 1.00 0.27 H new ATOM 0 HA LEU A 79 4.591 -3.576 1.108 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.789 -0.644 1.039 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.542 -1.722 2.398 1.00 0.29 H new ATOM 0 HG LEU A 79 6.207 -0.853 1.242 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.520 0.220 3.428 1.00 0.40 H new ATOM 0 HD12 LEU A 79 5.102 0.866 2.568 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.882 -0.286 3.906 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.213 -2.113 3.111 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.601 -2.713 3.566 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.315 -3.179 2.004 1.00 0.30 H new ATOM 1278 N SER A 80 2.224 -2.396 -0.810 1.00 0.36 N ATOM 1279 CA SER A 80 0.889 -2.694 -1.292 1.00 0.47 C ATOM 1280 C SER A 80 0.853 -4.005 -2.056 1.00 0.37 C ATOM 1281 O SER A 80 -0.066 -4.783 -1.871 1.00 0.38 O ATOM 1282 CB SER A 80 0.353 -1.569 -2.159 1.00 0.66 C ATOM 1283 OG SER A 80 1.377 -0.996 -2.954 1.00 0.84 O ATOM 0 H SER A 80 2.710 -1.659 -1.321 1.00 0.36 H new ATOM 0 HA SER A 80 0.247 -2.792 -0.416 1.00 0.47 H new ATOM 0 HB2 SER A 80 -0.440 -1.950 -2.803 1.00 0.66 H new ATOM 0 HB3 SER A 80 -0.092 -0.801 -1.527 1.00 0.66 H new ATOM 0 HG SER A 80 2.000 -1.696 -3.240 1.00 0.84 H new ATOM 1289 N SER A 81 1.851 -4.261 -2.901 1.00 0.33 N ATOM 1290 CA SER A 81 1.892 -5.514 -3.645 1.00 0.30 C ATOM 1291 C SER A 81 1.877 -6.693 -2.680 1.00 0.24 C ATOM 1292 O SER A 81 1.336 -7.746 -2.991 1.00 0.26 O ATOM 1293 CB SER A 81 3.111 -5.580 -4.577 1.00 0.37 C ATOM 1294 OG SER A 81 4.332 -5.597 -3.859 1.00 1.22 O ATOM 0 H SER A 81 2.629 -3.627 -3.084 1.00 0.33 H new ATOM 0 HA SER A 81 1.004 -5.564 -4.276 1.00 0.30 H new ATOM 0 HB2 SER A 81 3.044 -6.473 -5.198 1.00 0.37 H new ATOM 0 HB3 SER A 81 3.099 -4.723 -5.250 1.00 0.37 H new ATOM 0 HG SER A 81 4.176 -5.293 -2.941 1.00 1.22 H new ATOM 1300 N ILE A 82 2.446 -6.489 -1.493 1.00 0.23 N ATOM 1301 CA ILE A 82 2.380 -7.479 -0.428 1.00 0.23 C ATOM 1302 C ILE A 82 0.937 -7.680 0.014 1.00 0.27 C ATOM 1303 O ILE A 82 0.420 -8.797 0.027 1.00 0.30 O ATOM 1304 CB ILE A 82 3.183 -7.046 0.812 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.632 -6.714 0.447 1.00 0.21 C ATOM 1306 CG2 ILE A 82 3.121 -8.133 1.875 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.472 -6.296 1.636 1.00 0.23 C ATOM 0 H ILE A 82 2.959 -5.642 -1.247 1.00 0.23 H new ATOM 0 HA ILE A 82 2.802 -8.399 -0.832 1.00 0.23 H new ATOM 0 HB ILE A 82 2.735 -6.138 1.215 1.00 0.24 H new ATOM 0 HG12 ILE A 82 5.089 -7.585 -0.023 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.638 -5.913 -0.292 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.691 -7.820 2.749 1.00 0.28 H new ATOM 0 HG22 ILE A 82 2.083 -8.304 2.161 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.544 -9.055 1.477 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.487 -6.076 1.305 1.00 0.23 H new ATOM 0 HD12 ILE A 82 5.038 -5.407 2.093 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.496 -7.105 2.367 1.00 0.23 H new ATOM 1319 N ALA A 83 0.297 -6.583 0.378 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.065 -6.620 0.876 1.00 0.36 C ATOM 1321 C ALA A 83 -2.031 -7.140 -0.191 1.00 0.37 C ATOM 1322 O ALA A 83 -3.008 -7.801 0.130 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.468 -5.239 1.374 1.00 0.40 C ATOM 0 H ALA A 83 0.704 -5.648 0.337 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.115 -7.316 1.713 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.492 -5.271 1.747 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -0.798 -4.932 2.177 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.403 -4.523 0.554 1.00 0.40 H new ATOM 1329 N MET A 84 -1.732 -6.860 -1.459 1.00 0.37 N ATOM 1330 CA MET A 84 -2.549 -7.333 -2.578 1.00 0.43 C ATOM 1331 C MET A 84 -2.300 -8.812 -2.841 1.00 0.34 C ATOM 1332 O MET A 84 -3.236 -9.574 -3.069 1.00 0.37 O ATOM 1333 CB MET A 84 -2.243 -6.546 -3.856 1.00 0.64 C ATOM 1334 CG MET A 84 -2.380 -5.045 -3.698 1.00 0.44 C ATOM 1335 SD MET A 84 -2.358 -4.161 -5.271 1.00 1.00 S ATOM 1336 CE MET A 84 -0.714 -4.540 -5.871 1.00 1.26 C ATOM 0 H MET A 84 -0.924 -6.304 -1.739 1.00 0.37 H new ATOM 0 HA MET A 84 -3.593 -7.181 -2.303 1.00 0.43 H new ATOM 0 HB2 MET A 84 -1.228 -6.777 -4.179 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.913 -6.881 -4.647 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.312 -4.824 -3.177 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.569 -4.677 -3.070 1.00 0.44 H new ATOM 0 HE1 MET A 84 -0.584 -4.119 -6.868 1.00 1.26 H new ATOM 0 HE2 MET A 84 0.027 -4.111 -5.197 1.00 1.26 H new ATOM 0 HE3 MET A 84 -0.583 -5.621 -5.914 1.00 1.26 H new ATOM 1346 N MET A 85 -1.034 -9.215 -2.806 1.00 0.34 N ATOM 1347 CA MET A 85 -0.670 -10.600 -3.073 1.00 0.35 C ATOM 1348 C MET A 85 -1.184 -11.510 -1.960 1.00 0.35 C ATOM 1349 O MET A 85 -1.635 -12.624 -2.217 1.00 0.42 O ATOM 1350 CB MET A 85 0.848 -10.744 -3.257 1.00 0.39 C ATOM 1351 CG MET A 85 1.630 -10.592 -1.978 1.00 1.36 C ATOM 1352 SD MET A 85 1.955 -12.167 -1.159 1.00 2.66 S ATOM 1353 CE MET A 85 2.856 -11.619 0.289 1.00 3.35 C ATOM 0 H MET A 85 -0.245 -8.603 -2.596 1.00 0.34 H new ATOM 0 HA MET A 85 -1.143 -10.907 -4.006 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.062 -11.722 -3.689 1.00 0.39 H new ATOM 0 HB3 MET A 85 1.191 -9.997 -3.973 1.00 0.39 H new ATOM 0 HG2 MET A 85 2.578 -10.099 -2.194 1.00 1.36 H new ATOM 0 HG3 MET A 85 1.080 -9.942 -1.298 1.00 1.36 H new ATOM 0 HE1 MET A 85 3.279 -12.482 0.802 1.00 3.35 H new ATOM 0 HE2 MET A 85 3.659 -10.948 -0.015 1.00 3.35 H new ATOM 0 HE3 MET A 85 2.178 -11.093 0.962 1.00 3.35 H new ATOM 1363 N SER A 86 -1.134 -11.023 -0.721 1.00 0.33 N ATOM 1364 CA SER A 86 -1.683 -11.758 0.407 1.00 0.39 C ATOM 1365 C SER A 86 -3.209 -11.668 0.381 1.00 0.43 C ATOM 1366 O SER A 86 -3.910 -12.516 0.930 1.00 0.57 O ATOM 1367 CB SER A 86 -1.130 -11.194 1.721 1.00 0.43 C ATOM 1368 OG SER A 86 -1.518 -11.984 2.831 1.00 1.24 O ATOM 0 H SER A 86 -0.719 -10.124 -0.478 1.00 0.33 H new ATOM 0 HA SER A 86 -1.391 -12.806 0.335 1.00 0.39 H new ATOM 0 HB2 SER A 86 -0.042 -11.148 1.669 1.00 0.43 H new ATOM 0 HB3 SER A 86 -1.486 -10.173 1.858 1.00 0.43 H new ATOM 0 HG SER A 86 -1.148 -11.598 3.652 1.00 1.24 H new ATOM 1374 N ASN A 87 -3.704 -10.629 -0.275 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.134 -10.405 -0.439 1.00 0.51 C ATOM 1376 C ASN A 87 -5.751 -11.420 -1.396 1.00 0.44 C ATOM 1377 O ASN A 87 -6.689 -12.131 -1.045 1.00 0.53 O ATOM 1378 CB ASN A 87 -5.357 -8.993 -0.972 1.00 0.69 C ATOM 1379 CG ASN A 87 -6.763 -8.738 -1.445 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -6.972 -8.005 -2.404 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -7.738 -9.342 -0.792 1.00 1.49 N ATOM 0 H ASN A 87 -3.122 -9.913 -0.711 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.618 -10.524 0.531 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -5.111 -8.276 -0.189 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -4.668 -8.813 -1.797 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -8.707 -9.206 -1.081 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -7.523 -9.945 0.002 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.239 -11.463 -2.612 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.732 -12.400 -3.611 1.00 0.43 C ATOM 1390 C GLU A 88 -5.454 -13.840 -3.174 1.00 0.52 C ATOM 1391 O GLU A 88 -6.162 -14.771 -3.555 1.00 0.66 O ATOM 1392 CB GLU A 88 -5.092 -12.098 -4.964 1.00 0.48 C ATOM 1393 CG GLU A 88 -5.236 -10.638 -5.374 1.00 0.51 C ATOM 1394 CD GLU A 88 -4.658 -10.348 -6.742 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -3.426 -10.452 -6.907 1.00 1.49 O ATOM 1396 OE2 GLU A 88 -5.431 -9.991 -7.653 1.00 1.73 O ATOM 0 H GLU A 88 -4.482 -10.861 -2.934 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.812 -12.286 -3.710 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -4.034 -12.357 -4.926 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -5.548 -12.731 -5.725 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -6.292 -10.367 -5.367 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -4.740 -10.008 -4.635 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.428 -14.008 -2.349 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.124 -15.306 -1.755 1.00 0.63 C ATOM 1405 C PHE A 89 -5.085 -15.604 -0.606 1.00 0.66 C ATOM 1406 O PHE A 89 -5.328 -16.764 -0.272 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.672 -15.343 -1.265 1.00 0.73 C ATOM 1408 CG PHE A 89 -2.234 -16.683 -0.744 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -1.847 -17.686 -1.617 1.00 1.71 C ATOM 1410 CD2 PHE A 89 -2.207 -16.937 0.618 1.00 2.16 C ATOM 1411 CE1 PHE A 89 -1.443 -18.917 -1.142 1.00 2.38 C ATOM 1412 CE2 PHE A 89 -1.803 -18.167 1.099 1.00 2.80 C ATOM 1413 CZ PHE A 89 -1.420 -19.159 0.218 1.00 2.70 C ATOM 0 H PHE A 89 -3.790 -13.260 -2.075 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.250 -16.075 -2.518 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.016 -15.052 -2.085 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.547 -14.600 -0.477 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -1.862 -17.503 -2.681 1.00 1.71 H new ATOM 0 HD2 PHE A 89 -2.505 -16.164 1.311 1.00 2.16 H new ATOM 0 HE1 PHE A 89 -1.145 -19.691 -1.833 1.00 2.38 H new ATOM 0 HE2 PHE A 89 -1.787 -18.353 2.163 1.00 2.80 H new ATOM 0 HZ PHE A 89 -1.103 -20.122 0.591 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.633 -14.550 -0.010 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.667 -14.691 1.008 1.00 0.68 C ATOM 1425 C PHE A 90 -7.899 -15.326 0.382 1.00 0.68 C ATOM 1426 O PHE A 90 -8.623 -16.087 1.025 1.00 0.80 O ATOM 1427 CB PHE A 90 -7.008 -13.325 1.616 1.00 0.69 C ATOM 1428 CG PHE A 90 -8.174 -13.337 2.564 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -8.074 -13.948 3.802 1.00 1.53 C ATOM 1430 CD2 PHE A 90 -9.369 -12.728 2.214 1.00 1.46 C ATOM 1431 CE1 PHE A 90 -9.144 -13.952 4.675 1.00 1.64 C ATOM 1432 CE2 PHE A 90 -10.442 -12.730 3.082 1.00 1.59 C ATOM 1433 CZ PHE A 90 -10.330 -13.343 4.314 1.00 1.21 C ATOM 0 H PHE A 90 -5.376 -13.585 -0.216 1.00 0.60 H new ATOM 0 HA PHE A 90 -6.303 -15.332 1.811 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -6.132 -12.947 2.143 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.220 -12.625 0.808 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -7.149 -14.427 4.088 1.00 1.53 H new ATOM 0 HD2 PHE A 90 -9.461 -12.247 1.252 1.00 1.46 H new ATOM 0 HE1 PHE A 90 -9.054 -14.431 5.639 1.00 1.64 H new ATOM 0 HE2 PHE A 90 -11.368 -12.253 2.798 1.00 1.59 H new ATOM 0 HZ PHE A 90 -11.169 -13.346 4.995 1.00 1.21 H new ATOM 1443 N GLU A 91 -8.129 -14.997 -0.882 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.153 -15.666 -1.664 1.00 0.72 C ATOM 1445 C GLU A 91 -8.701 -17.081 -1.979 1.00 0.77 C ATOM 1446 O GLU A 91 -9.467 -18.041 -1.900 1.00 0.96 O ATOM 1447 CB GLU A 91 -9.389 -14.948 -2.992 1.00 0.83 C ATOM 1448 CG GLU A 91 -9.675 -13.467 -2.884 1.00 0.92 C ATOM 1449 CD GLU A 91 -9.797 -12.829 -4.254 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -10.879 -12.929 -4.866 1.00 2.23 O ATOM 1451 OE2 GLU A 91 -8.810 -12.232 -4.730 1.00 2.25 O ATOM 0 H GLU A 91 -7.619 -14.271 -1.385 1.00 0.61 H new ATOM 0 HA GLU A 91 -10.074 -15.665 -1.080 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -8.511 -15.087 -3.622 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.225 -15.427 -3.501 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -10.598 -13.312 -2.325 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -8.877 -12.980 -2.323 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.431 -17.185 -2.329 1.00 0.71 N ATOM 1459 CA GLY A 92 -6.885 -18.407 -2.868 1.00 0.82 C ATOM 1460 C GLY A 92 -6.659 -18.246 -4.350 1.00 0.81 C ATOM 1461 O GLY A 92 -5.720 -18.803 -4.921 1.00 0.92 O ATOM 0 H GLY A 92 -6.756 -16.425 -2.246 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -5.946 -18.649 -2.370 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -7.567 -19.236 -2.681 1.00 0.82 H new ATOM 1465 N PHE A 93 -7.514 -17.424 -4.946 1.00 0.76 N ATOM 1466 CA PHE A 93 -7.480 -17.108 -6.363 1.00 0.78 C ATOM 1467 C PHE A 93 -8.186 -15.779 -6.566 1.00 0.69 C ATOM 1468 O PHE A 93 -9.324 -15.621 -6.122 1.00 0.82 O ATOM 1469 CB PHE A 93 -8.180 -18.187 -7.203 1.00 1.00 C ATOM 1470 CG PHE A 93 -7.407 -19.467 -7.335 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -6.302 -19.535 -8.167 1.00 2.41 C ATOM 1472 CD2 PHE A 93 -7.780 -20.596 -6.625 1.00 2.59 C ATOM 1473 CE1 PHE A 93 -5.584 -20.705 -8.290 1.00 3.46 C ATOM 1474 CE2 PHE A 93 -7.064 -21.771 -6.745 1.00 3.60 C ATOM 1475 CZ PHE A 93 -5.964 -21.824 -7.578 1.00 3.91 C ATOM 0 H PHE A 93 -8.265 -16.950 -4.444 1.00 0.76 H new ATOM 0 HA PHE A 93 -6.441 -17.059 -6.688 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -9.150 -18.406 -6.756 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -8.371 -17.788 -8.199 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -6.000 -18.662 -8.726 1.00 2.41 H new ATOM 0 HD2 PHE A 93 -8.639 -20.557 -5.971 1.00 2.59 H new ATOM 0 HE1 PHE A 93 -4.725 -20.746 -8.943 1.00 3.46 H new ATOM 0 HE2 PHE A 93 -7.364 -22.647 -6.188 1.00 3.60 H new ATOM 0 HZ PHE A 93 -5.401 -22.741 -7.672 1.00 3.91 H new ATOM 1485 N PRO A 94 -7.526 -14.805 -7.205 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.104 -13.477 -7.428 1.00 0.61 C ATOM 1487 C PRO A 94 -9.399 -13.554 -8.234 1.00 0.71 C ATOM 1488 O PRO A 94 -9.384 -13.685 -9.461 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.012 -12.725 -8.193 1.00 0.65 C ATOM 1490 CG PRO A 94 -6.119 -13.780 -8.747 1.00 0.84 C ATOM 1491 CD PRO A 94 -6.173 -14.918 -7.771 1.00 0.83 C ATOM 0 HA PRO A 94 -8.380 -12.982 -6.497 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -7.439 -12.114 -8.988 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -6.463 -12.052 -7.534 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -6.454 -14.096 -9.735 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -5.100 -13.410 -8.859 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -6.020 -15.879 -8.263 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -5.405 -14.827 -7.003 1.00 0.83 H new ATOM 1499 N ASP A 95 -10.519 -13.463 -7.536 1.00 0.71 N ATOM 1500 CA ASP A 95 -11.822 -13.694 -8.145 1.00 0.88 C ATOM 1501 C ASP A 95 -12.797 -12.579 -7.799 1.00 0.84 C ATOM 1502 O ASP A 95 -13.882 -12.485 -8.369 1.00 0.96 O ATOM 1503 CB ASP A 95 -12.381 -15.052 -7.711 1.00 1.12 C ATOM 1504 CG ASP A 95 -13.669 -15.405 -8.426 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -13.620 -15.659 -9.649 1.00 2.40 O ATOM 1506 OD2 ASP A 95 -14.733 -15.421 -7.772 1.00 2.16 O ATOM 0 H ASP A 95 -10.554 -13.230 -6.544 1.00 0.71 H new ATOM 0 HA ASP A 95 -11.692 -13.700 -9.227 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -11.638 -15.826 -7.905 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -12.557 -15.042 -6.635 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.392 -11.715 -6.881 1.00 0.81 N ATOM 1512 CA LYS A 96 -13.157 -10.508 -6.580 1.00 0.86 C ATOM 1513 C LYS A 96 -12.913 -9.518 -7.695 1.00 0.84 C ATOM 1514 O LYS A 96 -13.557 -8.480 -7.807 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.706 -9.915 -5.250 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.201 -9.789 -5.161 1.00 0.94 C ATOM 1517 CD LYS A 96 -10.747 -9.277 -3.812 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.294 -9.620 -3.585 1.00 0.84 C ATOM 1519 NZ LYS A 96 -8.426 -8.981 -4.596 1.00 1.86 N ATOM 0 H LYS A 96 -11.540 -11.824 -6.331 1.00 0.81 H new ATOM 0 HA LYS A 96 -14.218 -10.744 -6.503 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -13.159 -8.932 -5.120 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -13.065 -10.542 -4.434 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -10.745 -10.761 -5.350 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -10.848 -9.114 -5.941 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -10.886 -8.197 -3.760 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -11.359 -9.716 -3.024 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -8.993 -9.297 -2.588 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -9.164 -10.702 -3.622 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -7.543 -8.666 -4.146 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -8.207 -9.665 -5.348 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -8.917 -8.161 -5.007 1.00 1.86 H new ATOM 1663 N SER B 3 8.669 -2.894 13.769 1.00 0.80 N ATOM 1664 CA SER B 3 8.003 -3.821 14.670 1.00 0.78 C ATOM 1665 C SER B 3 6.597 -4.183 14.116 1.00 0.65 C ATOM 1666 O SER B 3 6.369 -4.008 12.928 1.00 0.83 O ATOM 1667 CB SER B 3 7.942 -3.123 16.030 1.00 0.97 C ATOM 1668 OG SER B 3 9.080 -2.292 16.209 1.00 1.18 O ATOM 0 HA SER B 3 8.537 -4.766 14.766 1.00 0.78 H new ATOM 0 HB2 SER B 3 7.033 -2.526 16.100 1.00 0.97 H new ATOM 0 HB3 SER B 3 7.897 -3.866 16.826 1.00 0.97 H new ATOM 0 HG SER B 3 9.369 -1.942 15.341 1.00 1.18 H new ATOM 1674 N PRO B 4 5.661 -4.768 14.905 1.00 0.67 N ATOM 1675 CA PRO B 4 4.277 -5.063 14.466 1.00 0.62 C ATOM 1676 C PRO B 4 3.633 -4.111 13.425 1.00 0.47 C ATOM 1677 O PRO B 4 2.605 -4.460 12.859 1.00 0.50 O ATOM 1678 CB PRO B 4 3.522 -4.999 15.781 1.00 0.79 C ATOM 1679 CG PRO B 4 4.459 -5.626 16.750 1.00 0.97 C ATOM 1680 CD PRO B 4 5.851 -5.252 16.295 1.00 0.88 C ATOM 0 HA PRO B 4 4.253 -6.008 13.923 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.286 -3.972 16.059 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.577 -5.540 15.728 1.00 0.79 H new ATOM 0 HG2 PRO B 4 4.271 -5.266 17.762 1.00 0.97 H new ATOM 0 HG3 PRO B 4 4.333 -6.709 16.768 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.284 -4.479 16.930 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.525 -6.108 16.330 1.00 0.88 H new ATOM 1688 N LEU B 5 4.208 -2.929 13.170 1.00 0.36 N ATOM 1689 CA LEU B 5 3.610 -1.968 12.247 1.00 0.32 C ATOM 1690 C LEU B 5 3.539 -2.530 10.839 1.00 0.30 C ATOM 1691 O LEU B 5 2.579 -2.278 10.117 1.00 0.32 O ATOM 1692 CB LEU B 5 4.402 -0.660 12.237 1.00 0.32 C ATOM 1693 CG LEU B 5 3.984 0.365 11.171 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.912 1.745 11.793 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.965 0.377 10.002 1.00 0.27 C ATOM 0 H LEU B 5 5.084 -2.620 13.591 1.00 0.36 H new ATOM 0 HA LEU B 5 2.596 -1.769 12.595 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.310 -0.194 13.218 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.456 -0.896 12.093 1.00 0.32 H new ATOM 0 HG LEU B 5 3.004 0.081 10.789 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.615 2.470 11.035 1.00 0.41 H new ATOM 0 HD12 LEU B 5 3.179 1.743 12.600 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.890 2.016 12.192 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.643 1.112 9.264 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.959 0.638 10.364 1.00 0.27 H new ATOM 0 HD23 LEU B 5 4.994 -0.611 9.542 1.00 0.27 H new ATOM 1707 N GLU B 6 4.543 -3.298 10.448 1.00 0.35 N ATOM 1708 CA GLU B 6 4.553 -3.852 9.111 1.00 0.42 C ATOM 1709 C GLU B 6 3.435 -4.876 8.950 1.00 0.34 C ATOM 1710 O GLU B 6 2.690 -4.883 7.964 1.00 0.32 O ATOM 1711 CB GLU B 6 5.906 -4.461 8.748 1.00 0.62 C ATOM 1712 CG GLU B 6 6.731 -4.973 9.915 1.00 1.80 C ATOM 1713 CD GLU B 6 6.271 -6.304 10.442 1.00 2.84 C ATOM 1714 OE1 GLU B 6 6.544 -7.332 9.788 1.00 3.32 O ATOM 1715 OE2 GLU B 6 5.645 -6.334 11.524 1.00 3.61 O ATOM 0 H GLU B 6 5.345 -3.546 11.027 1.00 0.35 H new ATOM 0 HA GLU B 6 4.379 -3.030 8.417 1.00 0.42 H new ATOM 0 HB2 GLU B 6 5.739 -5.286 8.055 1.00 0.62 H new ATOM 0 HB3 GLU B 6 6.490 -3.711 8.215 1.00 0.62 H new ATOM 0 HG2 GLU B 6 7.772 -5.056 9.604 1.00 1.80 H new ATOM 0 HG3 GLU B 6 6.696 -4.241 10.722 1.00 1.80 H new ATOM 1722 N LYS B 7 3.300 -5.728 9.946 1.00 0.35 N ATOM 1723 CA LYS B 7 2.218 -6.688 9.966 1.00 0.36 C ATOM 1724 C LYS B 7 0.902 -5.979 10.264 1.00 0.32 C ATOM 1725 O LYS B 7 -0.167 -6.529 10.056 1.00 0.35 O ATOM 1726 CB LYS B 7 2.493 -7.835 10.943 1.00 0.44 C ATOM 1727 CG LYS B 7 3.874 -8.472 10.770 1.00 0.64 C ATOM 1728 CD LYS B 7 4.024 -9.401 9.554 1.00 0.80 C ATOM 1729 CE LYS B 7 3.424 -8.853 8.267 1.00 1.78 C ATOM 1730 NZ LYS B 7 3.610 -9.785 7.123 1.00 2.82 N ATOM 0 H LYS B 7 3.925 -5.774 10.750 1.00 0.35 H new ATOM 0 HA LYS B 7 2.141 -7.145 8.980 1.00 0.36 H new ATOM 0 HB2 LYS B 7 2.400 -7.462 11.963 1.00 0.44 H new ATOM 0 HB3 LYS B 7 1.730 -8.602 10.813 1.00 0.44 H new ATOM 0 HG2 LYS B 7 4.615 -7.677 10.692 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.109 -9.039 11.671 1.00 0.64 H new ATOM 0 HD2 LYS B 7 5.084 -9.599 9.391 1.00 0.80 H new ATOM 0 HD3 LYS B 7 3.553 -10.357 9.782 1.00 0.80 H new ATOM 0 HE2 LYS B 7 2.360 -8.667 8.414 1.00 1.78 H new ATOM 0 HE3 LYS B 7 3.886 -7.894 8.032 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 2.970 -9.516 6.349 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 4.594 -9.735 6.791 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 3.396 -10.756 7.428 1.00 2.82 H new ATOM 1744 N ALA B 8 0.990 -4.766 10.794 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.185 -3.927 10.977 1.00 0.29 C ATOM 1746 C ALA B 8 -0.736 -3.465 9.635 1.00 0.27 C ATOM 1747 O ALA B 8 -1.940 -3.282 9.493 1.00 0.28 O ATOM 1748 CB ALA B 8 0.117 -2.730 11.855 1.00 0.32 C ATOM 0 H ALA B 8 1.864 -4.342 11.105 1.00 0.29 H new ATOM 0 HA ALA B 8 -0.940 -4.533 11.478 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -0.783 -2.126 11.969 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.451 -3.072 12.834 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.901 -2.129 11.394 1.00 0.32 H new ATOM 1754 N LEU B 9 0.132 -3.259 8.642 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.361 -3.037 7.279 1.00 0.25 C ATOM 1756 C LEU B 9 -1.069 -4.306 6.829 1.00 0.25 C ATOM 1757 O LEU B 9 -2.065 -4.280 6.119 1.00 0.26 O ATOM 1758 CB LEU B 9 0.757 -2.712 6.278 1.00 0.26 C ATOM 1759 CG LEU B 9 2.034 -2.123 6.862 1.00 0.25 C ATOM 1760 CD1 LEU B 9 3.117 -2.064 5.799 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.779 -0.744 7.447 1.00 0.27 C ATOM 0 H LEU B 9 1.146 -3.241 8.747 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.028 -2.175 7.299 1.00 0.25 H new ATOM 0 HB2 LEU B 9 1.015 -3.627 5.744 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.363 -2.012 5.540 1.00 0.26 H new ATOM 0 HG LEU B 9 2.373 -2.771 7.670 1.00 0.25 H new ATOM 0 HD11 LEU B 9 4.025 -1.641 6.228 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.323 -3.070 5.433 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.781 -1.439 4.972 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.707 -0.346 7.857 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.413 -0.079 6.665 1.00 0.27 H new ATOM 0 HD23 LEU B 9 1.034 -0.817 8.239 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.540 -5.433 7.264 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.214 -6.714 7.044 1.00 0.28 C ATOM 1775 C ASP B 10 -2.558 -6.735 7.791 1.00 0.27 C ATOM 1776 O ASP B 10 -3.528 -7.369 7.359 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.317 -7.873 7.496 1.00 0.33 C ATOM 1778 CG ASP B 10 -0.949 -9.232 7.286 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -0.784 -9.800 6.187 1.00 1.15 O ATOM 1780 OD2 ASP B 10 -1.588 -9.751 8.225 1.00 1.18 O ATOM 0 H ASP B 10 0.345 -5.497 7.767 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.410 -6.835 5.979 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.625 -7.829 6.950 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.079 -7.749 8.552 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.625 -6.003 8.897 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.854 -5.879 9.656 1.00 0.27 C ATOM 1787 C VAL B 11 -4.808 -4.895 8.972 1.00 0.27 C ATOM 1788 O VAL B 11 -6.016 -4.956 9.167 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.573 -5.440 11.111 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.864 -5.195 11.869 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.732 -6.484 11.828 1.00 0.31 C ATOM 0 H VAL B 11 -1.836 -5.486 9.286 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.328 -6.860 9.689 1.00 0.27 H new ATOM 0 HB VAL B 11 -3.018 -4.503 11.076 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.634 -4.888 12.889 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.434 -4.409 11.373 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.453 -6.112 11.890 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.543 -6.159 12.851 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -3.266 -7.434 11.842 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.783 -6.608 11.306 1.00 0.31 H new ATOM 1801 N MET B 12 -4.264 -3.992 8.157 1.00 0.26 N ATOM 1802 CA MET B 12 -5.095 -3.116 7.326 1.00 0.29 C ATOM 1803 C MET B 12 -5.817 -3.971 6.289 1.00 0.29 C ATOM 1804 O MET B 12 -6.927 -3.659 5.860 1.00 0.33 O ATOM 1805 CB MET B 12 -4.250 -2.019 6.647 1.00 0.32 C ATOM 1806 CG MET B 12 -3.828 -2.331 5.215 1.00 0.98 C ATOM 1807 SD MET B 12 -2.525 -1.238 4.614 1.00 2.23 S ATOM 1808 CE MET B 12 -2.155 -1.985 3.029 1.00 2.75 C ATOM 0 H MET B 12 -3.260 -3.847 8.053 1.00 0.26 H new ATOM 0 HA MET B 12 -5.825 -2.608 7.955 1.00 0.29 H new ATOM 0 HB2 MET B 12 -4.818 -1.089 6.649 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.355 -1.847 7.245 1.00 0.32 H new ATOM 0 HG2 MET B 12 -3.483 -3.364 5.160 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.695 -2.249 4.560 1.00 0.98 H new ATOM 0 HE1 MET B 12 -1.698 -1.243 2.375 1.00 2.75 H new ATOM 0 HE2 MET B 12 -1.465 -2.817 3.171 1.00 2.75 H new ATOM 0 HE3 MET B 12 -3.076 -2.351 2.575 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.166 -5.064 5.906 1.00 0.29 N ATOM 1819 CA VAL B 13 -5.789 -6.078 5.066 1.00 0.31 C ATOM 1820 C VAL B 13 -6.989 -6.686 5.786 1.00 0.27 C ATOM 1821 O VAL B 13 -8.062 -6.854 5.214 1.00 0.27 O ATOM 1822 CB VAL B 13 -4.785 -7.195 4.693 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.461 -8.315 3.916 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.619 -6.624 3.902 1.00 0.42 C ATOM 0 H VAL B 13 -4.202 -5.270 6.166 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.119 -5.595 4.146 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.402 -7.619 5.621 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -4.727 -9.082 3.670 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.253 -8.752 4.523 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -5.888 -7.914 2.997 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -2.924 -7.425 3.649 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -3.991 -6.164 2.987 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.105 -5.873 4.502 1.00 0.42 H new ATOM 1834 N SER B 14 -6.819 -7.001 7.054 1.00 0.26 N ATOM 1835 CA SER B 14 -7.927 -7.538 7.827 1.00 0.26 C ATOM 1836 C SER B 14 -8.986 -6.476 8.066 1.00 0.25 C ATOM 1837 O SER B 14 -10.187 -6.768 8.076 1.00 0.25 O ATOM 1838 CB SER B 14 -7.426 -8.129 9.148 1.00 0.31 C ATOM 1839 OG SER B 14 -8.483 -8.708 9.893 1.00 1.18 O ATOM 0 H SER B 14 -5.943 -6.898 7.566 1.00 0.26 H new ATOM 0 HA SER B 14 -8.388 -8.341 7.253 1.00 0.26 H new ATOM 0 HB2 SER B 14 -6.667 -8.884 8.945 1.00 0.31 H new ATOM 0 HB3 SER B 14 -6.948 -7.348 9.739 1.00 0.31 H new ATOM 0 HG SER B 14 -8.130 -9.077 10.729 1.00 1.18 H new ATOM 1845 N THR B 15 -8.531 -5.251 8.228 1.00 0.28 N ATOM 1846 CA THR B 15 -9.397 -4.098 8.316 1.00 0.32 C ATOM 1847 C THR B 15 -10.420 -4.105 7.190 1.00 0.28 C ATOM 1848 O THR B 15 -11.621 -3.905 7.406 1.00 0.29 O ATOM 1849 CB THR B 15 -8.546 -2.817 8.254 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.757 -2.705 9.448 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.401 -1.578 8.080 1.00 0.93 C ATOM 0 H THR B 15 -7.539 -5.027 8.303 1.00 0.28 H new ATOM 0 HA THR B 15 -9.937 -4.131 9.262 1.00 0.32 H new ATOM 0 HB THR B 15 -7.894 -2.890 7.384 1.00 0.45 H new ATOM 0 HG1 THR B 15 -7.115 -3.445 9.487 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.761 -0.697 8.041 1.00 0.93 H new ATOM 0 HG22 THR B 15 -9.969 -1.655 7.153 1.00 0.93 H new ATOM 0 HG23 THR B 15 -10.089 -1.490 8.921 1.00 0.93 H new ATOM 1859 N PHE B 16 -9.951 -4.394 5.995 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.788 -4.254 4.837 1.00 0.27 C ATOM 1861 C PHE B 16 -11.713 -5.436 4.574 1.00 0.29 C ATOM 1862 O PHE B 16 -12.829 -5.226 4.123 1.00 0.37 O ATOM 1863 CB PHE B 16 -9.965 -3.806 3.628 1.00 0.34 C ATOM 1864 CG PHE B 16 -8.975 -4.763 3.004 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -9.269 -6.095 2.778 1.00 1.65 C ATOM 1866 CD2 PHE B 16 -7.740 -4.282 2.595 1.00 1.73 C ATOM 1867 CE1 PHE B 16 -8.351 -6.928 2.163 1.00 2.27 C ATOM 1868 CE2 PHE B 16 -6.819 -5.109 1.985 1.00 2.34 C ATOM 1869 CZ PHE B 16 -7.126 -6.433 1.767 1.00 2.36 C ATOM 0 H PHE B 16 -9.004 -4.723 5.807 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.496 -3.454 5.053 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -10.666 -3.507 2.849 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.414 -2.912 3.921 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -10.226 -6.490 3.085 1.00 1.65 H new ATOM 0 HD2 PHE B 16 -7.495 -3.243 2.757 1.00 1.73 H new ATOM 0 HE1 PHE B 16 -8.594 -7.967 1.993 1.00 2.27 H new ATOM 0 HE2 PHE B 16 -5.860 -4.718 1.679 1.00 2.34 H new ATOM 0 HZ PHE B 16 -6.409 -7.083 1.287 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.322 -6.659 4.902 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.255 -7.771 4.720 1.00 0.40 C ATOM 1881 C HIS B 17 -13.343 -7.718 5.781 1.00 0.36 C ATOM 1882 O HIS B 17 -14.396 -8.344 5.651 1.00 0.42 O ATOM 1883 CB HIS B 17 -11.549 -9.137 4.694 1.00 0.59 C ATOM 1884 CG HIS B 17 -10.902 -9.577 5.976 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -11.589 -9.764 7.157 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -9.619 -9.913 6.238 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -10.758 -10.194 8.085 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -9.556 -10.294 7.554 1.00 2.20 N ATOM 0 H HIS B 17 -10.407 -6.905 5.280 1.00 0.31 H new ATOM 0 HA HIS B 17 -12.719 -7.658 3.740 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -12.278 -9.893 4.402 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -10.786 -9.113 3.916 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -8.796 -9.886 5.540 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -11.018 -10.425 9.107 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -8.716 -10.604 8.042 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.078 -6.945 6.821 1.00 0.34 N ATOM 1898 CA LYS B 18 -14.057 -6.696 7.859 1.00 0.39 C ATOM 1899 C LYS B 18 -15.155 -5.769 7.349 1.00 0.37 C ATOM 1900 O LYS B 18 -16.338 -6.070 7.476 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.370 -6.088 9.080 1.00 0.43 C ATOM 1902 CG LYS B 18 -14.329 -5.554 10.132 1.00 0.54 C ATOM 1903 CD LYS B 18 -13.605 -5.238 11.432 1.00 0.73 C ATOM 1904 CE LYS B 18 -12.394 -4.343 11.210 1.00 0.79 C ATOM 1905 NZ LYS B 18 -11.772 -3.923 12.492 1.00 1.28 N ATOM 0 H LYS B 18 -12.184 -6.477 6.967 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.517 -7.642 8.144 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.731 -6.843 9.537 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.720 -5.277 8.751 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.818 -4.655 9.758 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -15.112 -6.288 10.319 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -14.294 -4.750 12.121 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -13.287 -6.167 11.904 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.657 -4.872 10.606 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -12.694 -3.460 10.646 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -10.951 -3.315 12.297 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -12.467 -3.396 13.058 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -11.462 -4.764 13.020 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.757 -4.655 6.752 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.717 -3.656 6.304 1.00 0.29 C ATOM 1921 C TYR B 19 -16.291 -3.957 4.926 1.00 0.33 C ATOM 1922 O TYR B 19 -17.309 -3.389 4.559 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.112 -2.257 6.376 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.210 -1.673 7.769 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -14.426 -2.162 8.804 1.00 1.23 C ATOM 1926 CD2 TYR B 19 -16.109 -0.656 8.054 1.00 1.28 C ATOM 1927 CE1 TYR B 19 -14.538 -1.657 10.084 1.00 1.26 C ATOM 1928 CE2 TYR B 19 -16.221 -0.140 9.332 1.00 1.35 C ATOM 1929 CZ TYR B 19 -15.434 -0.647 10.345 1.00 0.62 C ATOM 1930 OH TYR B 19 -15.547 -0.146 11.626 1.00 0.79 O ATOM 0 H TYR B 19 -13.782 -4.421 6.567 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.563 -3.697 6.990 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.066 -2.297 6.072 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -15.624 -1.603 5.671 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.716 -2.951 8.605 1.00 1.23 H new ATOM 0 HD2 TYR B 19 -16.732 -0.261 7.265 1.00 1.28 H new ATOM 0 HE1 TYR B 19 -13.923 -2.054 10.878 1.00 1.26 H new ATOM 0 HE2 TYR B 19 -16.921 0.656 9.536 1.00 1.35 H new ATOM 0 HH TYR B 19 -14.804 0.468 11.804 1.00 0.79 H new ATOM 1940 N SER B 20 -15.639 -4.826 4.162 1.00 0.29 N ATOM 1941 CA SER B 20 -16.233 -5.344 2.932 1.00 0.32 C ATOM 1942 C SER B 20 -17.163 -6.509 3.246 1.00 0.40 C ATOM 1943 O SER B 20 -18.054 -6.833 2.471 1.00 0.60 O ATOM 1944 CB SER B 20 -15.149 -5.828 1.979 1.00 0.35 C ATOM 1945 OG SER B 20 -14.147 -4.847 1.796 1.00 0.86 O ATOM 0 H SER B 20 -14.707 -5.185 4.369 1.00 0.29 H new ATOM 0 HA SER B 20 -16.796 -4.537 2.464 1.00 0.32 H new ATOM 0 HB2 SER B 20 -14.700 -6.741 2.370 1.00 0.35 H new ATOM 0 HB3 SER B 20 -15.594 -6.079 1.016 1.00 0.35 H new ATOM 0 HG SER B 20 -13.552 -4.838 2.574 1.00 0.86 H new ATOM 1951 N GLY B 21 -16.929 -7.158 4.378 1.00 0.37 N ATOM 1952 CA GLY B 21 -17.754 -8.281 4.763 1.00 0.43 C ATOM 1953 C GLY B 21 -18.969 -7.867 5.554 1.00 0.41 C ATOM 1954 O GLY B 21 -19.428 -8.608 6.424 1.00 0.46 O ATOM 0 H GLY B 21 -16.184 -6.926 5.034 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.073 -8.816 3.868 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.160 -8.977 5.355 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.502 -6.692 5.265 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.643 -6.196 6.016 1.00 0.46 C ATOM 1960 C LYS B 22 -21.937 -6.329 5.223 1.00 0.52 C ATOM 1961 O LYS B 22 -22.850 -7.055 5.618 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.454 -4.739 6.405 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.187 -4.447 7.177 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.133 -2.998 7.653 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.287 -1.988 6.514 1.00 0.49 C ATOM 1966 NZ LYS B 22 -20.708 -1.776 6.126 1.00 1.08 N ATOM 0 H LYS B 22 -19.169 -6.071 4.527 1.00 0.41 H new ATOM 0 HA LYS B 22 -20.712 -6.807 6.916 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.459 -4.132 5.499 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.308 -4.424 7.004 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.123 -5.114 8.037 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.322 -4.655 6.547 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -19.922 -2.833 8.387 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.184 -2.823 8.160 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -18.851 -1.036 6.816 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -18.725 -2.335 5.647 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -20.830 -0.806 5.770 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -20.969 -2.453 5.381 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -21.319 -1.920 6.955 1.00 1.08 H new ATOM 1980 N GLU B 23 -21.991 -5.651 4.087 1.00 0.47 N ATOM 1981 CA GLU B 23 -23.222 -5.529 3.319 1.00 0.54 C ATOM 1982 C GLU B 23 -23.035 -6.055 1.900 1.00 0.58 C ATOM 1983 O GLU B 23 -22.130 -5.624 1.187 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.644 -4.057 3.245 1.00 0.67 C ATOM 1985 CG GLU B 23 -23.724 -3.354 4.592 1.00 1.15 C ATOM 1986 CD GLU B 23 -24.811 -3.912 5.487 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -26.000 -3.795 5.128 1.00 1.96 O ATOM 1988 OE2 GLU B 23 -24.481 -4.460 6.558 1.00 2.38 O ATOM 0 H GLU B 23 -21.190 -5.173 3.673 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.990 -6.118 3.820 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -22.937 -3.521 2.611 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -24.618 -3.996 2.759 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -22.763 -3.442 5.099 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -23.904 -2.291 4.431 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.919 -6.949 1.478 1.00 0.72 N ATOM 1996 CA GLY B 24 -23.871 -7.461 0.122 1.00 0.85 C ATOM 1997 C GLY B 24 -22.710 -8.408 -0.111 1.00 0.79 C ATOM 1998 O GLY B 24 -22.815 -9.605 0.157 1.00 0.92 O ATOM 0 H GLY B 24 -24.671 -7.330 2.052 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -24.805 -7.978 -0.099 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -23.797 -6.625 -0.574 1.00 0.85 H new ATOM 2002 N ASP B 25 -21.603 -7.867 -0.597 1.00 0.71 N ATOM 2003 CA ASP B 25 -20.421 -8.662 -0.908 1.00 0.70 C ATOM 2004 C ASP B 25 -19.595 -8.914 0.342 1.00 0.73 C ATOM 2005 O ASP B 25 -19.997 -8.562 1.450 1.00 1.34 O ATOM 2006 CB ASP B 25 -19.564 -7.962 -1.974 1.00 0.72 C ATOM 2007 CG ASP B 25 -19.847 -8.472 -3.371 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -20.867 -8.064 -3.963 1.00 1.75 O ATOM 2009 OD2 ASP B 25 -19.048 -9.289 -3.887 1.00 1.64 O ATOM 0 H ASP B 25 -21.497 -6.870 -0.787 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.755 -9.622 -1.301 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -19.750 -6.889 -1.938 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.509 -8.111 -1.743 1.00 0.72 H new ATOM 2014 N LYS B 26 -18.466 -9.578 0.155 1.00 0.61 N ATOM 2015 CA LYS B 26 -17.537 -9.853 1.232 1.00 0.56 C ATOM 2016 C LYS B 26 -16.113 -9.544 0.776 1.00 0.49 C ATOM 2017 O LYS B 26 -15.164 -9.606 1.551 1.00 0.55 O ATOM 2018 CB LYS B 26 -17.678 -11.321 1.649 1.00 0.71 C ATOM 2019 CG LYS B 26 -16.564 -11.836 2.541 1.00 1.03 C ATOM 2020 CD LYS B 26 -16.562 -11.162 3.902 1.00 0.70 C ATOM 2021 CE LYS B 26 -15.548 -11.794 4.836 1.00 0.94 C ATOM 2022 NZ LYS B 26 -15.598 -11.192 6.193 1.00 1.56 N ATOM 0 H LYS B 26 -18.170 -9.941 -0.751 1.00 0.61 H new ATOM 0 HA LYS B 26 -17.760 -9.221 2.092 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -18.628 -11.448 2.168 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -17.720 -11.937 0.751 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -16.673 -12.913 2.671 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -15.604 -11.669 2.053 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -16.337 -10.102 3.783 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -17.556 -11.230 4.344 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -15.737 -12.865 4.906 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -14.547 -11.673 4.421 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -15.031 -11.766 6.849 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -15.215 -10.226 6.159 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -16.584 -11.162 6.523 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.983 -9.174 -0.487 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.679 -8.965 -1.094 1.00 0.43 C ATOM 2038 C PHE B 27 -14.633 -7.607 -1.769 1.00 0.39 C ATOM 2039 O PHE B 27 -13.635 -7.237 -2.390 1.00 0.40 O ATOM 2040 CB PHE B 27 -14.372 -10.064 -2.119 1.00 0.49 C ATOM 2041 CG PHE B 27 -14.194 -11.433 -1.524 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -15.281 -12.270 -1.335 1.00 1.76 C ATOM 2043 CD2 PHE B 27 -12.935 -11.884 -1.162 1.00 1.28 C ATOM 2044 CE1 PHE B 27 -15.117 -13.530 -0.792 1.00 2.08 C ATOM 2045 CE2 PHE B 27 -12.765 -13.143 -0.619 1.00 1.59 C ATOM 2046 CZ PHE B 27 -13.858 -13.967 -0.434 1.00 1.65 C ATOM 0 H PHE B 27 -16.770 -9.011 -1.115 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.925 -9.004 -0.308 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -15.181 -10.100 -2.849 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -13.465 -9.796 -2.661 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -16.268 -11.934 -1.615 1.00 1.76 H new ATOM 0 HD2 PHE B 27 -12.077 -11.244 -1.306 1.00 1.28 H new ATOM 0 HE1 PHE B 27 -15.973 -14.172 -0.648 1.00 2.08 H new ATOM 0 HE2 PHE B 27 -11.779 -13.482 -0.339 1.00 1.59 H new ATOM 0 HZ PHE B 27 -13.727 -14.952 -0.010 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.723 -6.871 -1.634 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.846 -5.559 -2.245 1.00 0.36 C ATOM 2058 C LYS B 28 -16.551 -4.606 -1.310 1.00 0.34 C ATOM 2059 O LYS B 28 -17.463 -4.994 -0.592 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.626 -5.604 -3.558 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.955 -6.368 -4.681 1.00 0.49 C ATOM 2062 CD LYS B 28 -16.606 -6.020 -6.008 1.00 0.56 C ATOM 2063 CE LYS B 28 -15.977 -6.760 -7.175 1.00 0.86 C ATOM 2064 NZ LYS B 28 -16.339 -8.202 -7.185 1.00 1.70 N ATOM 0 H LYS B 28 -16.542 -7.164 -1.102 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.832 -5.216 -2.450 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -17.601 -6.052 -3.367 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.804 -4.582 -3.891 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.893 -6.125 -4.713 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -16.032 -7.440 -4.499 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -17.669 -6.258 -5.961 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -16.527 -4.946 -6.178 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -16.297 -6.300 -8.110 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -14.893 -6.659 -7.125 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -15.492 -8.771 -7.388 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -16.722 -8.470 -6.256 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -17.056 -8.375 -7.918 1.00 1.70 H new ATOM 2078 N LEU B 29 -16.120 -3.365 -1.347 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.742 -2.310 -0.591 1.00 0.28 C ATOM 2080 C LEU B 29 -17.658 -1.512 -1.489 1.00 0.30 C ATOM 2081 O LEU B 29 -17.201 -0.769 -2.359 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.686 -1.375 -0.017 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.704 -2.017 0.943 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.390 -1.270 0.926 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.285 -2.018 2.341 1.00 0.25 C ATOM 0 H LEU B 29 -15.323 -3.061 -1.907 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.311 -2.759 0.223 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -15.127 -0.935 -0.843 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.190 -0.557 0.498 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.522 -3.045 0.630 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.694 -1.742 1.620 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -12.971 -1.294 -0.080 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.556 -0.235 1.226 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.577 -2.480 3.029 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.479 -0.992 2.655 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.218 -2.582 2.347 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.942 -1.668 -1.280 1.00 0.31 N ATOM 2098 CA ASN B 30 -19.922 -0.828 -1.933 1.00 0.35 C ATOM 2099 C ASN B 30 -19.868 0.538 -1.279 1.00 0.32 C ATOM 2100 O ASN B 30 -19.204 0.687 -0.255 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.311 -1.464 -1.835 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.592 -2.023 -0.457 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -21.069 -3.213 -0.189 1.00 0.55 O flip ATOM 2104 ND2 ASN B 30 -22.230 -1.377 0.375 1.00 0.42 N flip ATOM 0 H ASN B 30 -19.337 -2.374 -0.659 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.704 -0.722 -2.996 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -22.067 -0.719 -2.083 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.395 -2.262 -2.572 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -22.615 -0.466 0.127 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -22.373 -1.753 1.312 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.537 1.528 -1.858 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.380 2.912 -1.406 1.00 0.34 C ATOM 2113 C LYS B 31 -20.478 3.037 0.113 1.00 0.31 C ATOM 2114 O LYS B 31 -19.675 3.733 0.730 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.430 3.833 -2.016 1.00 0.41 C ATOM 2116 CG LYS B 31 -21.259 4.155 -3.493 1.00 0.68 C ATOM 2117 CD LYS B 31 -22.191 5.298 -3.872 1.00 0.71 C ATOM 2118 CE LYS B 31 -21.859 5.899 -5.223 1.00 1.15 C ATOM 2119 NZ LYS B 31 -22.897 6.862 -5.674 1.00 1.99 N ATOM 0 H LYS B 31 -21.188 1.404 -2.634 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.385 3.211 -1.736 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.410 3.377 -1.875 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.431 4.770 -1.458 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -20.225 4.431 -3.699 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -21.481 3.275 -4.097 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -23.219 4.935 -3.883 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -22.135 6.075 -3.110 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -20.895 6.405 -5.168 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -21.759 5.102 -5.960 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -22.467 7.563 -6.311 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -23.649 6.351 -6.179 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -23.302 7.347 -4.848 1.00 1.99 H new ATOM 2133 N SER B 32 -21.459 2.362 0.708 1.00 0.34 N ATOM 2134 CA SER B 32 -21.664 2.432 2.148 1.00 0.37 C ATOM 2135 C SER B 32 -20.433 1.911 2.873 1.00 0.34 C ATOM 2136 O SER B 32 -19.857 2.604 3.708 1.00 0.37 O ATOM 2137 CB SER B 32 -22.898 1.625 2.570 1.00 0.45 C ATOM 2138 OG SER B 32 -23.182 1.804 3.953 1.00 1.33 O ATOM 0 H SER B 32 -22.121 1.763 0.215 1.00 0.34 H new ATOM 0 HA SER B 32 -21.830 3.475 2.418 1.00 0.37 H new ATOM 0 HB2 SER B 32 -23.758 1.934 1.976 1.00 0.45 H new ATOM 0 HB3 SER B 32 -22.732 0.568 2.364 1.00 0.45 H new ATOM 0 HG SER B 32 -22.482 1.376 4.489 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.023 0.699 2.523 1.00 0.32 N ATOM 2145 CA GLU B 33 -18.874 0.070 3.142 1.00 0.34 C ATOM 2146 C GLU B 33 -17.621 0.890 2.904 1.00 0.30 C ATOM 2147 O GLU B 33 -16.799 1.050 3.803 1.00 0.32 O ATOM 2148 CB GLU B 33 -18.693 -1.329 2.590 1.00 0.44 C ATOM 2149 CG GLU B 33 -19.895 -2.213 2.814 1.00 0.59 C ATOM 2150 CD GLU B 33 -19.579 -3.661 2.556 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -19.129 -3.975 1.446 1.00 2.15 O ATOM 2152 OE2 GLU B 33 -19.787 -4.479 3.468 1.00 2.32 O ATOM 0 H GLU B 33 -20.477 0.131 1.807 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.047 0.012 4.217 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.488 -1.268 1.521 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -17.821 -1.787 3.056 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -20.247 -2.095 3.839 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -20.707 -1.896 2.159 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.491 1.407 1.688 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.404 2.294 1.340 1.00 0.33 C ATOM 2161 C LEU B 34 -16.367 3.471 2.302 1.00 0.29 C ATOM 2162 O LEU B 34 -15.369 3.702 2.966 1.00 0.30 O ATOM 2163 CB LEU B 34 -16.589 2.803 -0.084 1.00 0.50 C ATOM 2164 CG LEU B 34 -15.460 3.681 -0.602 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.222 2.841 -0.859 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -15.898 4.414 -1.854 1.00 0.54 C ATOM 0 H LEU B 34 -18.138 1.220 0.922 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.464 1.746 1.408 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -16.698 1.946 -0.749 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -17.521 3.367 -0.135 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.211 4.427 0.153 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -13.420 3.479 -1.230 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -13.907 2.364 0.069 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.449 2.076 -1.601 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -15.081 5.039 -2.214 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.168 3.691 -2.623 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -16.760 5.040 -1.626 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.474 4.199 2.370 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.618 5.326 3.287 1.00 0.29 C ATOM 2180 C LYS B 35 -17.247 4.955 4.711 1.00 0.29 C ATOM 2181 O LYS B 35 -16.440 5.629 5.344 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.053 5.825 3.270 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.381 6.681 2.070 1.00 0.39 C ATOM 2184 CD LYS B 35 -20.850 6.582 1.700 1.00 0.51 C ATOM 2185 CE LYS B 35 -21.757 6.914 2.870 1.00 0.70 C ATOM 2186 NZ LYS B 35 -21.737 8.360 3.203 1.00 1.29 N ATOM 0 H LYS B 35 -18.297 4.027 1.793 1.00 0.28 H new ATOM 0 HA LYS B 35 -16.936 6.106 2.948 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -19.727 4.969 3.290 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.240 6.399 4.177 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.128 7.720 2.283 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -18.770 6.371 1.223 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.062 7.261 0.874 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.068 5.574 1.348 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -22.777 6.612 2.634 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -21.448 6.338 3.742 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -22.632 8.623 3.662 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -20.946 8.557 3.849 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -21.619 8.915 2.332 1.00 1.29 H new ATOM 2200 N GLU B 36 -17.851 3.891 5.214 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.643 3.481 6.591 1.00 0.32 C ATOM 2202 C GLU B 36 -16.190 3.134 6.842 1.00 0.31 C ATOM 2203 O GLU B 36 -15.616 3.534 7.847 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.535 2.295 6.929 1.00 0.36 C ATOM 2205 CG GLU B 36 -20.000 2.600 6.716 1.00 0.37 C ATOM 2206 CD GLU B 36 -20.896 1.400 6.939 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.145 1.045 8.112 1.00 1.31 O ATOM 2208 OE2 GLU B 36 -21.354 0.797 5.944 1.00 1.14 O ATOM 0 H GLU B 36 -18.490 3.295 4.688 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.908 4.318 7.237 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.250 1.442 6.313 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.374 2.006 7.968 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.300 3.400 7.392 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.144 2.970 5.701 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.599 2.399 5.921 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.203 2.036 6.029 1.00 0.26 C ATOM 2217 C LEU B 37 -13.328 3.291 5.949 1.00 0.27 C ATOM 2218 O LEU B 37 -12.428 3.475 6.746 1.00 0.31 O ATOM 2219 CB LEU B 37 -13.849 1.039 4.920 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.621 0.159 5.174 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.583 -0.996 4.197 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.345 0.962 5.054 1.00 0.50 C ATOM 0 H LEU B 37 -16.067 2.041 5.088 1.00 0.27 H new ATOM 0 HA LEU B 37 -14.018 1.561 6.992 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.709 0.390 4.755 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -13.688 1.595 3.997 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.698 -0.231 6.189 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.704 -1.610 4.393 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.482 -1.602 4.314 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.536 -0.610 3.179 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.488 0.314 5.239 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.272 1.382 4.051 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.353 1.770 5.786 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.609 4.158 4.994 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.874 5.412 4.858 1.00 0.29 C ATOM 2236 C LEU B 38 -12.942 6.243 6.138 1.00 0.30 C ATOM 2237 O LEU B 38 -11.923 6.611 6.700 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.424 6.228 3.686 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.666 6.090 2.361 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.224 6.537 2.521 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.722 4.665 1.845 1.00 0.43 C ATOM 0 H LEU B 38 -14.341 4.021 4.297 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.830 5.161 4.668 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.461 5.937 3.521 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.429 7.280 3.972 1.00 0.31 H new ATOM 0 HG LEU B 38 -13.152 6.735 1.629 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.703 6.431 1.570 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.199 7.581 2.835 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.733 5.920 3.274 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -12.176 4.597 0.904 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -12.270 3.995 2.576 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.761 4.377 1.683 1.00 0.43 H new ATOM 2253 N THR B 39 -14.148 6.551 6.572 1.00 0.31 N ATOM 2254 CA THR B 39 -14.364 7.323 7.790 1.00 0.33 C ATOM 2255 C THR B 39 -13.723 6.682 9.032 1.00 0.34 C ATOM 2256 O THR B 39 -13.107 7.366 9.849 1.00 0.38 O ATOM 2257 CB THR B 39 -15.874 7.503 8.040 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.516 6.227 8.149 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.520 8.283 6.907 1.00 0.34 C ATOM 0 H THR B 39 -15.007 6.276 6.095 1.00 0.31 H new ATOM 0 HA THR B 39 -13.882 8.288 7.633 1.00 0.33 H new ATOM 0 HB THR B 39 -15.993 8.056 8.971 1.00 0.33 H new ATOM 0 HG1 THR B 39 -16.484 5.770 7.283 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.586 8.398 7.105 1.00 0.34 H new ATOM 0 HG22 THR B 39 -16.057 9.267 6.832 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.381 7.745 5.969 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.869 5.375 9.156 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.477 4.647 10.368 1.00 0.36 C ATOM 2269 C ARG B 40 -12.049 4.121 10.316 1.00 0.40 C ATOM 2270 O ARG B 40 -11.342 4.159 11.324 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.474 3.510 10.580 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.796 3.979 11.153 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.863 2.911 11.021 1.00 0.56 C ATOM 2274 NE ARG B 40 -18.176 3.403 11.423 1.00 1.16 N ATOM 2275 CZ ARG B 40 -19.327 2.940 10.942 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -19.333 1.907 10.108 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -20.471 3.501 11.310 1.00 2.31 N ATOM 0 H ARG B 40 -14.261 4.781 8.425 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.498 5.340 11.209 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.654 3.010 9.628 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -14.036 2.771 11.250 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.667 4.240 12.204 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -16.118 4.884 10.637 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -16.905 2.565 9.988 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.594 2.051 11.634 1.00 0.56 H new ATOM 0 HE ARG B 40 -18.214 4.150 12.117 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.454 1.467 9.835 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -20.216 1.553 9.740 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -20.468 4.286 11.961 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -21.354 3.147 10.942 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.624 3.639 9.165 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.295 3.071 9.028 1.00 0.46 C ATOM 2293 C GLU B 41 -9.351 4.049 8.338 1.00 0.54 C ATOM 2294 O GLU B 41 -8.223 3.694 8.027 1.00 0.85 O ATOM 2295 CB GLU B 41 -10.323 1.788 8.198 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.612 0.974 8.266 1.00 0.53 C ATOM 2297 CD GLU B 41 -12.001 0.510 9.645 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -11.360 -0.415 10.189 1.00 1.02 O ATOM 2299 OE2 GLU B 41 -12.964 1.058 10.190 1.00 1.30 O ATOM 0 H GLU B 41 -12.179 3.629 8.309 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.943 2.855 10.037 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -10.136 2.049 7.156 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -9.498 1.152 8.520 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.425 1.575 7.859 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -11.507 0.101 7.622 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.835 5.245 8.042 1.00 0.40 N ATOM 2307 CA LEU B 42 -8.986 6.319 7.522 1.00 0.41 C ATOM 2308 C LEU B 42 -9.508 7.704 7.926 1.00 0.37 C ATOM 2309 O LEU B 42 -9.723 8.562 7.062 1.00 0.35 O ATOM 2310 CB LEU B 42 -8.897 6.232 5.995 1.00 0.44 C ATOM 2311 CG LEU B 42 -7.904 5.209 5.454 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -8.139 4.979 3.978 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.482 5.689 5.686 1.00 0.74 C ATOM 0 H LEU B 42 -10.816 5.503 8.152 1.00 0.40 H new ATOM 0 HA LEU B 42 -7.995 6.190 7.957 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -9.886 5.995 5.603 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.628 7.215 5.607 1.00 0.44 H new ATOM 0 HG LEU B 42 -8.050 4.267 5.983 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -7.423 4.247 3.605 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -9.152 4.607 3.824 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -8.012 5.918 3.439 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -5.781 4.951 5.296 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -6.331 6.639 5.174 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.312 5.821 6.755 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.718 7.945 9.239 1.00 0.40 N ATOM 2326 CA PRO B 43 -10.229 9.221 9.751 1.00 0.43 C ATOM 2327 C PRO B 43 -9.527 10.440 9.199 1.00 0.45 C ATOM 2328 O PRO B 43 -10.155 11.456 8.938 1.00 0.49 O ATOM 2329 CB PRO B 43 -9.963 9.132 11.241 1.00 0.50 C ATOM 2330 CG PRO B 43 -10.076 7.685 11.540 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.507 6.981 10.339 1.00 0.44 C ATOM 0 HA PRO B 43 -11.274 9.350 9.467 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -8.974 9.516 11.494 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -10.686 9.715 11.811 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.525 7.427 12.444 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -11.114 7.399 11.707 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.450 6.750 10.473 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -10.018 6.037 10.148 1.00 0.44 H new ATOM 2339 N SER B 44 -8.229 10.354 9.051 1.00 0.45 N ATOM 2340 CA SER B 44 -7.475 11.460 8.522 1.00 0.47 C ATOM 2341 C SER B 44 -7.818 11.676 7.054 1.00 0.44 C ATOM 2342 O SER B 44 -8.272 12.760 6.663 1.00 0.45 O ATOM 2343 CB SER B 44 -5.991 11.192 8.702 1.00 0.51 C ATOM 2344 OG SER B 44 -5.189 12.230 8.168 1.00 0.59 O ATOM 0 H SER B 44 -7.674 9.532 9.289 1.00 0.45 H new ATOM 0 HA SER B 44 -7.733 12.370 9.064 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.771 11.075 9.763 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.733 10.250 8.218 1.00 0.51 H new ATOM 0 HG SER B 44 -4.255 12.091 8.431 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.659 10.615 6.260 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.815 10.708 4.813 1.00 0.41 C ATOM 2352 C PHE B 45 -9.181 11.265 4.436 1.00 0.41 C ATOM 2353 O PHE B 45 -9.289 12.345 3.856 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.644 9.346 4.141 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.581 9.466 2.643 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -6.378 9.730 2.010 1.00 1.81 C ATOM 2357 CD2 PHE B 45 -8.727 9.352 1.873 1.00 1.83 C ATOM 2358 CE1 PHE B 45 -6.317 9.872 0.636 1.00 2.37 C ATOM 2359 CE2 PHE B 45 -8.674 9.498 0.500 1.00 2.38 C ATOM 2360 CZ PHE B 45 -7.467 9.758 -0.120 1.00 2.40 C ATOM 0 H PHE B 45 -7.422 9.682 6.598 1.00 0.41 H new ATOM 0 HA PHE B 45 -7.036 11.385 4.463 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.733 8.872 4.506 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -8.474 8.697 4.419 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.476 9.826 2.597 1.00 1.81 H new ATOM 0 HD2 PHE B 45 -9.673 9.147 2.352 1.00 1.83 H new ATOM 0 HE1 PHE B 45 -5.371 10.072 0.155 1.00 2.37 H new ATOM 0 HE2 PHE B 45 -9.575 9.409 -0.088 1.00 2.38 H new ATOM 0 HZ PHE B 45 -7.423 9.872 -1.193 1.00 2.40 H new ATOM 2370 N LEU B 46 -10.223 10.526 4.788 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.569 10.875 4.363 1.00 0.57 C ATOM 2372 C LEU B 46 -12.251 11.768 5.378 1.00 0.65 C ATOM 2373 O LEU B 46 -13.105 12.563 5.020 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.404 9.619 4.134 1.00 0.67 C ATOM 2375 CG LEU B 46 -13.196 9.568 2.830 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -14.594 10.076 3.088 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -12.508 10.379 1.737 1.00 0.54 C ATOM 0 H LEU B 46 -10.163 9.686 5.363 1.00 0.45 H new ATOM 0 HA LEU B 46 -11.486 11.422 3.424 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -11.740 8.755 4.166 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -13.103 9.515 4.964 1.00 0.67 H new ATOM 0 HG LEU B 46 -13.246 8.538 2.478 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -15.169 10.044 2.163 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -15.077 9.448 3.837 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.547 11.103 3.451 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -13.094 10.325 0.820 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -12.425 11.419 2.053 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -11.512 9.974 1.556 1.00 0.54 H new ATOM 2389 N GLY B 47 -11.866 11.644 6.645 1.00 0.74 N ATOM 2390 CA GLY B 47 -12.461 12.471 7.683 1.00 0.90 C ATOM 2391 C GLY B 47 -12.199 13.941 7.447 1.00 0.89 C ATOM 2392 O GLY B 47 -12.887 14.803 7.990 1.00 0.99 O ATOM 0 H GLY B 47 -11.156 10.989 6.972 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -13.536 12.294 7.717 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -12.059 12.181 8.654 1.00 0.90 H new ATOM 2396 N LYS B 48 -11.199 14.217 6.620 1.00 0.79 N ATOM 2397 CA LYS B 48 -10.915 15.570 6.179 1.00 0.82 C ATOM 2398 C LYS B 48 -12.072 16.115 5.341 1.00 0.78 C ATOM 2399 O LYS B 48 -12.338 17.317 5.339 1.00 0.87 O ATOM 2400 CB LYS B 48 -9.637 15.560 5.346 1.00 0.81 C ATOM 2401 CG LYS B 48 -9.095 16.940 5.007 1.00 1.08 C ATOM 2402 CD LYS B 48 -8.634 17.679 6.250 1.00 1.51 C ATOM 2403 CE LYS B 48 -7.977 19.001 5.896 1.00 2.27 C ATOM 2404 NZ LYS B 48 -7.469 19.709 7.100 1.00 3.17 N ATOM 0 H LYS B 48 -10.567 13.512 6.240 1.00 0.79 H new ATOM 0 HA LYS B 48 -10.789 16.212 7.050 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.870 15.005 5.887 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -9.827 15.020 4.418 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -8.262 16.844 4.310 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -9.867 17.521 4.503 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -9.486 17.858 6.906 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -7.930 17.058 6.804 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -7.153 18.823 5.205 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -8.696 19.636 5.378 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -7.028 20.607 6.815 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -8.259 19.902 7.748 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -6.764 19.114 7.581 1.00 3.17 H new ATOM 2418 N ARG B 49 -12.774 15.219 4.652 1.00 0.73 N ATOM 2419 CA ARG B 49 -13.855 15.610 3.758 1.00 0.81 C ATOM 2420 C ARG B 49 -14.703 14.391 3.385 1.00 0.74 C ATOM 2421 O ARG B 49 -14.501 13.769 2.344 1.00 1.00 O ATOM 2422 CB ARG B 49 -13.255 16.294 2.519 1.00 0.95 C ATOM 2423 CG ARG B 49 -14.259 17.009 1.630 1.00 1.17 C ATOM 2424 CD ARG B 49 -14.668 16.147 0.454 1.00 1.01 C ATOM 2425 NE ARG B 49 -15.461 16.884 -0.530 1.00 1.61 N ATOM 2426 CZ ARG B 49 -15.360 16.714 -1.847 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -14.451 15.884 -2.343 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -16.148 17.395 -2.670 1.00 2.50 N ATOM 0 H ARG B 49 -12.611 14.213 4.698 1.00 0.73 H new ATOM 0 HA ARG B 49 -14.517 16.319 4.256 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -12.506 17.014 2.847 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -12.736 15.543 1.924 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -15.141 17.273 2.214 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -13.826 17.941 1.267 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -13.775 15.748 -0.028 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -15.243 15.294 0.815 1.00 1.01 H new ATOM 0 HE ARG B 49 -16.133 17.570 -0.186 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -13.829 15.375 -1.715 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -14.375 15.755 -3.352 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -16.833 18.051 -2.294 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -16.068 17.263 -3.678 1.00 2.50 H new ATOM 2442 N THR B 50 -15.652 14.052 4.253 1.00 0.75 N ATOM 2443 CA THR B 50 -16.513 12.891 4.051 1.00 0.72 C ATOM 2444 C THR B 50 -17.761 13.260 3.248 1.00 0.82 C ATOM 2445 O THR B 50 -18.878 12.917 3.626 1.00 1.33 O ATOM 2446 CB THR B 50 -16.946 12.285 5.400 1.00 0.73 C ATOM 2447 OG1 THR B 50 -17.479 13.310 6.255 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.770 11.614 6.084 1.00 0.63 C ATOM 0 H THR B 50 -15.845 14.570 5.110 1.00 0.75 H new ATOM 0 HA THR B 50 -15.934 12.156 3.493 1.00 0.72 H new ATOM 0 HB THR B 50 -17.717 11.538 5.208 1.00 0.73 H new ATOM 0 HG1 THR B 50 -17.753 12.914 7.109 1.00 0.83 H new ATOM 0 HG21 THR B 50 -16.095 11.192 7.035 1.00 0.63 H new ATOM 0 HG22 THR B 50 -15.384 10.818 5.447 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.985 12.349 6.262 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.566 13.953 2.137 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.682 14.439 1.335 1.00 0.61 C ATOM 2458 C ASP B 51 -19.164 13.359 0.375 1.00 0.58 C ATOM 2459 O ASP B 51 -18.448 12.384 0.133 1.00 0.54 O ATOM 2460 CB ASP B 51 -18.259 15.687 0.554 1.00 0.68 C ATOM 2461 CG ASP B 51 -19.408 16.363 -0.169 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -20.083 17.207 0.448 1.00 2.01 O ATOM 2463 OD2 ASP B 51 -19.627 16.067 -1.363 1.00 1.77 O ATOM 0 H ASP B 51 -16.646 14.193 1.769 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.504 14.697 2.003 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -17.803 16.399 1.241 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -17.495 15.410 -0.172 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.365 13.520 -0.167 1.00 0.67 N ATOM 2469 CA GLU B 52 -20.886 12.563 -1.134 1.00 0.71 C ATOM 2470 C GLU B 52 -19.985 12.501 -2.347 1.00 0.66 C ATOM 2471 O GLU B 52 -19.620 11.422 -2.806 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.305 12.921 -1.558 1.00 0.87 C ATOM 2473 CG GLU B 52 -23.290 12.888 -0.411 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.679 13.331 -0.820 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -25.466 12.485 -1.296 1.00 1.90 O ATOM 2476 OE2 GLU B 52 -24.995 14.528 -0.664 1.00 1.82 O ATOM 0 H GLU B 52 -20.991 14.297 0.044 1.00 0.67 H new ATOM 0 HA GLU B 52 -20.911 11.584 -0.655 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -22.306 13.917 -2.002 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.633 12.227 -2.332 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -23.340 11.876 -0.009 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -22.929 13.532 0.391 1.00 0.95 H new ATOM 2483 N ALA B 53 -19.598 13.671 -2.828 1.00 0.71 N ATOM 2484 CA ALA B 53 -18.722 13.771 -3.981 1.00 0.76 C ATOM 2485 C ALA B 53 -17.391 13.089 -3.700 1.00 0.66 C ATOM 2486 O ALA B 53 -16.784 12.497 -4.588 1.00 0.68 O ATOM 2487 CB ALA B 53 -18.503 15.227 -4.350 1.00 0.91 C ATOM 0 H ALA B 53 -19.879 14.569 -2.434 1.00 0.71 H new ATOM 0 HA ALA B 53 -19.197 13.266 -4.822 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -17.844 15.288 -5.216 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -19.460 15.690 -4.589 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -18.047 15.751 -3.510 1.00 0.91 H new ATOM 2493 N ALA B 54 -16.955 13.166 -2.453 1.00 0.59 N ATOM 2494 CA ALA B 54 -15.706 12.547 -2.042 1.00 0.58 C ATOM 2495 C ALA B 54 -15.754 11.040 -2.233 1.00 0.48 C ATOM 2496 O ALA B 54 -14.954 10.488 -2.982 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.394 12.882 -0.596 1.00 0.64 C ATOM 0 H ALA B 54 -17.450 13.653 -1.706 1.00 0.59 H new ATOM 0 HA ALA B 54 -14.912 12.946 -2.673 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.455 12.409 -0.307 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.306 13.963 -0.484 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -16.197 12.515 0.044 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.696 10.375 -1.567 1.00 0.46 N ATOM 2504 CA PHE B 55 -16.812 8.925 -1.681 1.00 0.42 C ATOM 2505 C PHE B 55 -17.185 8.519 -3.092 1.00 0.44 C ATOM 2506 O PHE B 55 -16.727 7.508 -3.594 1.00 0.45 O ATOM 2507 CB PHE B 55 -17.806 8.364 -0.655 1.00 0.43 C ATOM 2508 CG PHE B 55 -19.279 8.639 -0.873 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -19.982 8.068 -1.925 1.00 1.87 C ATOM 2510 CD2 PHE B 55 -19.969 9.445 0.018 1.00 1.97 C ATOM 2511 CE1 PHE B 55 -21.333 8.307 -2.087 1.00 2.69 C ATOM 2512 CE2 PHE B 55 -21.323 9.675 -0.135 1.00 2.77 C ATOM 2513 CZ PHE B 55 -22.003 9.110 -1.191 1.00 2.95 C ATOM 0 H PHE B 55 -17.381 10.811 -0.951 1.00 0.46 H new ATOM 0 HA PHE B 55 -15.836 8.493 -1.460 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -17.670 7.283 -0.614 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -17.534 8.757 0.324 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -19.466 7.429 -2.626 1.00 1.87 H new ATOM 0 HD2 PHE B 55 -19.441 9.900 0.843 1.00 1.97 H new ATOM 0 HE1 PHE B 55 -21.864 7.864 -2.917 1.00 2.69 H new ATOM 0 HE2 PHE B 55 -21.848 10.298 0.574 1.00 2.77 H new ATOM 0 HZ PHE B 55 -23.059 9.296 -1.316 1.00 2.95 H new ATOM 2523 N GLN B 56 -18.029 9.315 -3.707 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.416 9.121 -5.109 1.00 0.54 C ATOM 2525 C GLN B 56 -17.184 9.070 -6.011 1.00 0.53 C ATOM 2526 O GLN B 56 -16.964 8.084 -6.722 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.366 10.245 -5.549 1.00 0.62 C ATOM 2528 CG GLN B 56 -19.731 10.246 -7.029 1.00 0.76 C ATOM 2529 CD GLN B 56 -20.283 8.920 -7.514 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -21.476 8.647 -7.402 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -19.421 8.106 -8.097 1.00 0.87 N ATOM 0 H GLN B 56 -18.473 10.118 -3.261 1.00 0.48 H new ATOM 0 HA GLN B 56 -18.935 8.167 -5.199 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -20.284 10.172 -4.965 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -18.907 11.203 -5.304 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.468 11.027 -7.213 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -18.846 10.498 -7.614 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -18.439 8.371 -8.170 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -19.738 7.213 -8.475 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.375 10.117 -5.969 1.00 0.51 N ATOM 2541 CA LYS B 57 -15.174 10.172 -6.786 1.00 0.51 C ATOM 2542 C LYS B 57 -14.183 9.096 -6.364 1.00 0.47 C ATOM 2543 O LYS B 57 -13.706 8.331 -7.200 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.521 11.555 -6.712 1.00 0.55 C ATOM 2545 CG LYS B 57 -14.790 12.419 -7.937 1.00 0.76 C ATOM 2546 CD LYS B 57 -16.269 12.738 -8.107 1.00 1.00 C ATOM 2547 CE LYS B 57 -16.721 13.858 -7.179 1.00 0.86 C ATOM 2548 NZ LYS B 57 -16.027 15.142 -7.466 1.00 1.60 N ATOM 0 H LYS B 57 -16.527 10.936 -5.381 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.466 9.987 -7.820 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -14.885 12.073 -5.825 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.444 11.434 -6.592 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -14.228 13.349 -7.853 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -14.427 11.906 -8.827 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -16.462 13.024 -9.141 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -16.858 11.843 -7.909 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -17.797 13.999 -7.280 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -16.533 13.569 -6.145 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -16.595 15.933 -7.101 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -15.095 15.143 -7.005 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -15.905 15.249 -8.493 1.00 1.60 H new ATOM 2562 N LEU B 58 -13.909 9.019 -5.066 1.00 0.45 N ATOM 2563 CA LEU B 58 -12.944 8.068 -4.537 1.00 0.43 C ATOM 2564 C LEU B 58 -13.319 6.644 -4.909 1.00 0.42 C ATOM 2565 O LEU B 58 -12.456 5.836 -5.245 1.00 0.41 O ATOM 2566 CB LEU B 58 -12.850 8.191 -3.021 1.00 0.43 C ATOM 2567 CG LEU B 58 -11.674 7.455 -2.394 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.362 8.037 -2.894 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -11.754 7.525 -0.883 1.00 0.40 C ATOM 0 H LEU B 58 -14.346 9.609 -4.358 1.00 0.45 H new ATOM 0 HA LEU B 58 -11.975 8.300 -4.978 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -12.781 9.247 -2.760 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -13.773 7.813 -2.582 1.00 0.43 H new ATOM 0 HG LEU B 58 -11.718 6.407 -2.689 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.529 7.502 -2.438 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.309 7.935 -3.978 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.306 9.092 -2.625 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -10.907 6.994 -0.449 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -11.731 8.567 -0.565 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -12.682 7.064 -0.546 1.00 0.40 H new ATOM 2581 N MET B 59 -14.608 6.352 -4.850 1.00 0.45 N ATOM 2582 CA MET B 59 -15.128 5.054 -5.242 1.00 0.48 C ATOM 2583 C MET B 59 -14.662 4.709 -6.641 1.00 0.48 C ATOM 2584 O MET B 59 -13.891 3.782 -6.831 1.00 0.48 O ATOM 2585 CB MET B 59 -16.656 5.086 -5.195 1.00 0.54 C ATOM 2586 CG MET B 59 -17.320 3.876 -5.809 1.00 0.57 C ATOM 2587 SD MET B 59 -19.104 4.001 -5.843 1.00 1.64 S ATOM 2588 CE MET B 59 -19.284 5.215 -7.142 1.00 2.39 C ATOM 0 H MET B 59 -15.321 7.007 -4.530 1.00 0.45 H new ATOM 0 HA MET B 59 -14.759 4.294 -4.553 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.975 5.173 -4.156 1.00 0.54 H new ATOM 0 HB3 MET B 59 -17.006 5.980 -5.712 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.951 3.743 -6.826 1.00 0.57 H new ATOM 0 HG3 MET B 59 -17.034 2.987 -5.247 1.00 0.57 H new ATOM 0 HE1 MET B 59 -20.225 5.050 -7.667 1.00 2.39 H new ATOM 0 HE2 MET B 59 -19.281 6.215 -6.708 1.00 2.39 H new ATOM 0 HE3 MET B 59 -18.456 5.122 -7.844 1.00 2.39 H new ATOM 2598 N SER B 60 -15.087 5.517 -7.592 1.00 0.49 N ATOM 2599 CA SER B 60 -14.714 5.346 -8.993 1.00 0.52 C ATOM 2600 C SER B 60 -13.191 5.386 -9.202 1.00 0.51 C ATOM 2601 O SER B 60 -12.681 4.841 -10.173 1.00 0.55 O ATOM 2602 CB SER B 60 -15.397 6.415 -9.845 1.00 0.55 C ATOM 2603 OG SER B 60 -15.261 7.703 -9.263 1.00 1.34 O ATOM 0 H SER B 60 -15.701 6.313 -7.421 1.00 0.49 H new ATOM 0 HA SER B 60 -15.052 4.358 -9.305 1.00 0.52 H new ATOM 0 HB2 SER B 60 -14.963 6.418 -10.845 1.00 0.55 H new ATOM 0 HB3 SER B 60 -16.454 6.174 -9.957 1.00 0.55 H new ATOM 0 HG SER B 60 -14.459 7.725 -8.701 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.475 6.038 -8.291 1.00 0.48 N ATOM 2610 CA ASN B 61 -11.016 6.133 -8.379 1.00 0.50 C ATOM 2611 C ASN B 61 -10.377 4.770 -8.169 1.00 0.49 C ATOM 2612 O ASN B 61 -9.513 4.344 -8.934 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.449 7.107 -7.336 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.781 8.556 -7.624 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -10.836 9.375 -6.579 1.00 0.79 O flip ATOM 2616 ND2 ASN B 61 -10.977 8.946 -8.775 1.00 0.57 N flip ATOM 0 H ASN B 61 -12.879 6.510 -7.482 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.781 6.505 -9.376 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -10.837 6.841 -6.353 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -9.366 6.992 -7.293 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -10.926 8.287 -9.552 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -11.190 9.928 -8.951 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.817 4.094 -7.122 1.00 0.44 N ATOM 2624 CA LEU B 62 -10.253 2.810 -6.732 1.00 0.43 C ATOM 2625 C LEU B 62 -10.925 1.701 -7.510 1.00 0.48 C ATOM 2626 O LEU B 62 -10.265 0.822 -8.063 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.479 2.586 -5.241 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.411 3.856 -4.394 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.725 3.555 -2.937 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -9.057 4.534 -4.544 1.00 0.35 C ATOM 0 H LEU B 62 -11.573 4.417 -6.519 1.00 0.44 H new ATOM 0 HA LEU B 62 -9.184 2.808 -6.945 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.455 2.122 -5.100 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.734 1.880 -4.875 1.00 0.38 H new ATOM 0 HG LEU B 62 -11.170 4.549 -4.757 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.670 4.475 -2.355 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.729 3.137 -2.860 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -10.002 2.837 -2.550 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -9.032 5.436 -3.932 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.271 3.853 -4.219 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -8.897 4.800 -5.589 1.00 0.35 H new ATOM 2642 N ASP B 63 -12.249 1.782 -7.532 1.00 0.48 N ATOM 2643 CA ASP B 63 -13.113 0.840 -8.229 1.00 0.53 C ATOM 2644 C ASP B 63 -12.792 0.835 -9.720 1.00 0.57 C ATOM 2645 O ASP B 63 -13.413 1.527 -10.521 1.00 0.62 O ATOM 2646 CB ASP B 63 -14.576 1.242 -7.940 1.00 0.56 C ATOM 2647 CG ASP B 63 -15.624 0.651 -8.857 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -15.836 -0.571 -8.831 1.00 1.34 O ATOM 2649 OD2 ASP B 63 -16.291 1.435 -9.565 1.00 1.24 O ATOM 0 H ASP B 63 -12.763 2.522 -7.054 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.951 -0.179 -7.878 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.815 0.954 -6.916 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.649 2.328 -7.991 1.00 0.56 H new ATOM 2654 N SER B 64 -11.773 0.071 -10.070 1.00 0.58 N ATOM 2655 CA SER B 64 -11.307 -0.027 -11.439 1.00 0.64 C ATOM 2656 C SER B 64 -12.214 -0.970 -12.206 1.00 0.65 C ATOM 2657 O SER B 64 -12.357 -0.874 -13.424 1.00 0.75 O ATOM 2658 CB SER B 64 -9.865 -0.530 -11.463 1.00 0.72 C ATOM 2659 OG SER B 64 -9.064 0.172 -10.522 1.00 1.38 O ATOM 0 H SER B 64 -11.245 -0.500 -9.410 1.00 0.58 H new ATOM 0 HA SER B 64 -11.334 0.956 -11.910 1.00 0.64 H new ATOM 0 HB2 SER B 64 -9.845 -1.597 -11.239 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.450 -0.406 -12.463 1.00 0.72 H new ATOM 0 HG SER B 64 -9.581 0.329 -9.705 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.832 -1.877 -11.463 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.812 -2.797 -12.015 1.00 0.72 C ATOM 2667 C ASN B 65 -15.080 -2.033 -12.399 1.00 0.69 C ATOM 2668 O ASN B 65 -15.897 -2.493 -13.195 1.00 0.77 O ATOM 2669 CB ASN B 65 -14.134 -3.895 -10.996 1.00 0.79 C ATOM 2670 CG ASN B 65 -14.987 -3.377 -9.865 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -16.206 -3.500 -9.894 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -14.363 -2.794 -8.862 1.00 1.16 N ATOM 0 H ASN B 65 -12.668 -1.995 -10.463 1.00 0.63 H new ATOM 0 HA ASN B 65 -13.401 -3.266 -12.909 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -14.651 -4.714 -11.496 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -13.206 -4.302 -10.594 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -14.896 -2.426 -8.074 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -13.347 -2.710 -8.873 1.00 1.16 H new ATOM 2679 N ARG B 66 -15.184 -0.834 -11.821 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.258 0.117 -12.065 1.00 0.60 C ATOM 2681 C ARG B 66 -17.643 -0.486 -11.907 1.00 0.60 C ATOM 2682 O ARG B 66 -18.544 -0.209 -12.701 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.124 0.763 -13.427 1.00 0.67 C ATOM 2684 CG ARG B 66 -14.845 1.560 -13.617 1.00 0.70 C ATOM 2685 CD ARG B 66 -14.843 2.859 -12.818 1.00 0.70 C ATOM 2686 NE ARG B 66 -13.962 3.851 -13.432 1.00 0.78 N ATOM 2687 CZ ARG B 66 -12.656 3.952 -13.181 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -12.083 3.159 -12.285 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -11.928 4.859 -13.820 1.00 1.15 N ATOM 0 H ARG B 66 -14.497 -0.492 -11.149 1.00 0.60 H new ATOM 0 HA ARG B 66 -16.153 0.881 -11.295 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -16.172 -0.013 -14.191 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -16.977 1.422 -13.589 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -13.993 0.951 -13.316 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -14.716 1.788 -14.675 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -15.857 3.255 -12.759 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -14.518 2.661 -11.797 1.00 0.70 H new ATOM 0 HE ARG B 66 -14.373 4.508 -14.095 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -12.642 2.468 -11.784 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -11.084 3.240 -12.097 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -12.367 5.477 -14.502 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -10.929 4.938 -13.629 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.812 -1.286 -10.877 1.00 0.58 N ATOM 2704 CA ASP B 67 -19.137 -1.736 -10.475 1.00 0.61 C ATOM 2705 C ASP B 67 -19.568 -0.918 -9.281 1.00 0.56 C ATOM 2706 O ASP B 67 -20.610 -1.170 -8.671 1.00 0.57 O ATOM 2707 CB ASP B 67 -19.167 -3.225 -10.124 1.00 0.69 C ATOM 2708 CG ASP B 67 -19.389 -4.112 -11.330 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -20.393 -3.907 -12.048 1.00 1.63 O ATOM 2710 OD2 ASP B 67 -18.569 -5.028 -11.565 1.00 1.72 O ATOM 0 H ASP B 67 -17.051 -1.641 -10.299 1.00 0.58 H new ATOM 0 HA ASP B 67 -19.819 -1.598 -11.314 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -18.226 -3.499 -9.646 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -19.958 -3.405 -9.396 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.721 0.053 -8.954 1.00 0.53 N ATOM 2716 CA ASN B 68 -18.942 0.972 -7.852 1.00 0.51 C ATOM 2717 C ASN B 68 -18.847 0.245 -6.531 1.00 0.46 C ATOM 2718 O ASN B 68 -19.513 0.586 -5.551 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.262 1.720 -8.011 1.00 0.58 C ATOM 2720 CG ASN B 68 -20.227 2.651 -9.209 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -19.025 3.063 -9.607 1.00 1.08 O flip ATOM 2722 ND2 ASN B 68 -21.265 2.980 -9.787 1.00 0.66 N flip ATOM 0 H ASN B 68 -17.850 0.223 -9.457 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.156 1.727 -7.865 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -21.076 1.005 -8.127 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -20.468 2.294 -7.108 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -22.166 2.642 -9.449 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -21.223 3.590 -10.603 1.00 0.66 H new ATOM 2729 N GLU B 69 -17.998 -0.769 -6.530 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.646 -1.491 -5.331 1.00 0.42 C ATOM 2731 C GLU B 69 -16.164 -1.803 -5.391 1.00 0.40 C ATOM 2732 O GLU B 69 -15.708 -2.540 -6.266 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.445 -2.786 -5.207 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.941 -2.599 -5.387 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.715 -3.891 -5.282 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -20.760 -4.647 -6.277 1.00 1.31 O ATOM 2737 OE2 GLU B 69 -21.298 -4.146 -4.213 1.00 1.29 O ATOM 0 H GLU B 69 -17.533 -1.113 -7.370 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.879 -0.879 -4.459 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -18.085 -3.498 -5.950 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -18.258 -3.226 -4.227 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -20.307 -1.901 -4.635 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -20.130 -2.147 -6.361 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.424 -1.244 -4.465 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.970 -1.365 -4.469 1.00 0.36 C ATOM 2746 C VAL B 70 -13.530 -2.697 -3.899 1.00 0.35 C ATOM 2747 O VAL B 70 -13.832 -3.018 -2.754 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.315 -0.240 -3.659 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.829 -0.491 -3.514 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.561 1.095 -4.322 1.00 0.36 C ATOM 0 H VAL B 70 -15.799 -0.696 -3.691 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.651 -1.293 -5.509 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.762 -0.222 -2.665 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.378 0.316 -2.937 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.669 -1.438 -3.000 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.369 -0.532 -4.501 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -13.090 1.884 -3.736 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -13.137 1.086 -5.326 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.634 1.279 -4.383 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.806 -3.468 -4.689 1.00 0.37 N ATOM 2761 CA ASP B 71 -12.319 -4.751 -4.217 1.00 0.39 C ATOM 2762 C ASP B 71 -11.155 -4.545 -3.266 1.00 0.37 C ATOM 2763 O ASP B 71 -10.548 -3.475 -3.247 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.912 -5.679 -5.373 1.00 0.45 C ATOM 2765 CG ASP B 71 -10.405 -5.815 -5.557 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -9.813 -5.013 -6.295 1.00 1.42 O ATOM 2767 OD2 ASP B 71 -9.805 -6.743 -4.962 1.00 1.35 O ATOM 0 H ASP B 71 -12.545 -3.233 -5.647 1.00 0.37 H new ATOM 0 HA ASP B 71 -13.137 -5.240 -3.688 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -12.337 -6.667 -5.199 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -12.348 -5.303 -6.298 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.872 -5.557 -2.467 1.00 0.41 N ATOM 2773 CA PHE B 72 -9.768 -5.518 -1.519 1.00 0.44 C ATOM 2774 C PHE B 72 -8.497 -4.965 -2.154 1.00 0.40 C ATOM 2775 O PHE B 72 -7.904 -4.015 -1.652 1.00 0.42 O ATOM 2776 CB PHE B 72 -9.491 -6.918 -1.007 1.00 0.54 C ATOM 2777 CG PHE B 72 -10.573 -7.508 -0.159 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -11.372 -6.698 0.617 1.00 1.70 C ATOM 2779 CD2 PHE B 72 -10.767 -8.879 -0.111 1.00 1.69 C ATOM 2780 CE1 PHE B 72 -12.341 -7.237 1.419 1.00 2.17 C ATOM 2781 CE2 PHE B 72 -11.737 -9.424 0.698 1.00 2.18 C ATOM 2782 CZ PHE B 72 -12.525 -8.600 1.463 1.00 2.15 C ATOM 0 H PHE B 72 -11.399 -6.430 -2.455 1.00 0.41 H new ATOM 0 HA PHE B 72 -10.057 -4.859 -0.700 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -9.321 -7.574 -1.861 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -8.567 -6.901 -0.430 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -11.233 -5.627 0.592 1.00 1.70 H new ATOM 0 HD2 PHE B 72 -10.150 -9.527 -0.715 1.00 1.69 H new ATOM 0 HE1 PHE B 72 -12.964 -6.590 2.020 1.00 2.17 H new ATOM 0 HE2 PHE B 72 -11.878 -10.494 0.731 1.00 2.18 H new ATOM 0 HZ PHE B 72 -13.289 -9.022 2.099 1.00 2.15 H new ATOM 2792 N GLN B 73 -8.083 -5.583 -3.247 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.903 -5.154 -3.989 1.00 0.37 C ATOM 2794 C GLN B 73 -7.010 -3.693 -4.438 1.00 0.36 C ATOM 2795 O GLN B 73 -6.072 -2.922 -4.251 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.668 -6.079 -5.190 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.551 -5.617 -6.110 1.00 0.50 C ATOM 2798 CD GLN B 73 -6.071 -5.013 -7.398 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -6.419 -3.736 -7.357 1.00 0.62 O flip ATOM 2800 NE2 GLN B 73 -6.202 -5.703 -8.411 1.00 0.41 N flip ATOM 0 H GLN B 73 -8.552 -6.395 -3.647 1.00 0.38 H new ATOM 0 HA GLN B 73 -6.046 -5.221 -3.319 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.436 -7.080 -4.826 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.591 -6.155 -5.764 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.937 -4.882 -5.590 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -4.905 -6.463 -6.344 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -5.921 -6.683 -8.400 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.591 -5.293 -9.260 1.00 0.41 H new ATOM 2809 N GLU B 74 -8.137 -3.313 -5.038 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.347 -1.940 -5.484 1.00 0.39 C ATOM 2811 C GLU B 74 -8.320 -0.983 -4.305 1.00 0.38 C ATOM 2812 O GLU B 74 -7.973 0.193 -4.444 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.642 -1.835 -6.293 1.00 0.44 C ATOM 2814 CG GLU B 74 -9.454 -2.353 -7.713 1.00 0.59 C ATOM 2815 CD GLU B 74 -10.731 -2.471 -8.520 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -11.784 -1.980 -8.076 1.00 2.04 O ATOM 2817 OE2 GLU B 74 -10.667 -3.038 -9.636 1.00 2.18 O ATOM 0 H GLU B 74 -8.919 -3.940 -5.226 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.530 -1.651 -6.145 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.429 -2.404 -5.798 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.970 -0.796 -6.324 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -8.768 -1.689 -8.239 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -8.978 -3.332 -7.668 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.628 -1.504 -3.129 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.586 -0.703 -1.927 1.00 0.36 C ATOM 2826 C TYR B 75 -7.161 -0.661 -1.368 1.00 0.34 C ATOM 2827 O TYR B 75 -6.749 0.308 -0.732 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.554 -1.232 -0.873 1.00 0.43 C ATOM 2829 CG TYR B 75 -9.816 -0.188 0.179 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -10.726 0.831 -0.056 1.00 1.72 C ATOM 2831 CD2 TYR B 75 -9.117 -0.182 1.378 1.00 1.50 C ATOM 2832 CE1 TYR B 75 -10.935 1.826 0.869 1.00 2.09 C ATOM 2833 CE2 TYR B 75 -9.329 0.807 2.316 1.00 1.86 C ATOM 2834 CZ TYR B 75 -10.236 1.811 2.052 1.00 1.84 C ATOM 2835 OH TYR B 75 -10.435 2.811 2.971 1.00 2.33 O ATOM 0 H TYR B 75 -8.908 -2.474 -2.986 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.895 0.309 -2.187 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.492 -1.522 -1.346 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -9.141 -2.128 -0.409 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -11.281 0.843 -0.983 1.00 1.72 H new ATOM 0 HD2 TYR B 75 -8.398 -0.962 1.579 1.00 1.50 H new ATOM 0 HE1 TYR B 75 -11.644 2.615 0.667 1.00 2.09 H new ATOM 0 HE2 TYR B 75 -8.788 0.795 3.251 1.00 1.86 H new ATOM 0 HH TYR B 75 -9.832 2.681 3.732 1.00 2.33 H new ATOM 2845 N SER B 76 -6.413 -1.728 -1.605 1.00 0.35 N ATOM 2846 CA SER B 76 -5.015 -1.796 -1.205 1.00 0.36 C ATOM 2847 C SER B 76 -4.184 -0.861 -2.079 1.00 0.36 C ATOM 2848 O SER B 76 -3.210 -0.252 -1.622 1.00 0.41 O ATOM 2849 CB SER B 76 -4.511 -3.236 -1.320 1.00 0.41 C ATOM 2850 OG SER B 76 -3.170 -3.355 -0.882 1.00 1.21 O ATOM 0 H SER B 76 -6.754 -2.566 -2.076 1.00 0.35 H new ATOM 0 HA SER B 76 -4.918 -1.479 -0.167 1.00 0.36 H new ATOM 0 HB2 SER B 76 -5.148 -3.893 -0.728 1.00 0.41 H new ATOM 0 HB3 SER B 76 -4.587 -3.567 -2.356 1.00 0.41 H new ATOM 0 HG SER B 76 -2.828 -4.244 -1.113 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.597 -0.739 -3.337 1.00 0.35 N ATOM 2857 CA VAL B 77 -3.997 0.208 -4.263 1.00 0.36 C ATOM 2858 C VAL B 77 -4.284 1.613 -3.776 1.00 0.33 C ATOM 2859 O VAL B 77 -3.466 2.521 -3.894 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.556 0.035 -5.694 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -4.118 1.181 -6.593 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -4.116 -1.295 -6.281 1.00 0.43 C ATOM 0 H VAL B 77 -5.354 -1.292 -3.739 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.923 0.025 -4.300 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.644 0.047 -5.634 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.525 1.035 -7.594 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.485 2.123 -6.186 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -3.030 1.208 -6.644 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.519 -1.399 -7.288 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -3.027 -1.333 -6.320 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.486 -2.108 -5.657 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.464 1.763 -3.211 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.866 3.004 -2.591 1.00 0.29 C ATOM 2874 C PHE B 78 -4.923 3.381 -1.451 1.00 0.27 C ATOM 2875 O PHE B 78 -4.322 4.453 -1.465 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.284 2.868 -2.065 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.737 4.057 -1.272 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.519 5.344 -1.733 1.00 1.23 C ATOM 2879 CD2 PHE B 78 -8.371 3.882 -0.058 1.00 1.18 C ATOM 2880 CE1 PHE B 78 -7.925 6.432 -0.994 1.00 1.24 C ATOM 2881 CE2 PHE B 78 -8.781 4.965 0.682 1.00 1.19 C ATOM 2882 CZ PHE B 78 -8.559 6.242 0.214 1.00 0.37 C ATOM 0 H PHE B 78 -6.169 1.027 -3.170 1.00 0.32 H new ATOM 0 HA PHE B 78 -5.823 3.795 -3.339 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -7.963 2.719 -2.904 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.349 1.977 -1.441 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -7.026 5.496 -2.682 1.00 1.23 H new ATOM 0 HD2 PHE B 78 -8.547 2.883 0.314 1.00 1.18 H new ATOM 0 HE1 PHE B 78 -7.747 7.432 -1.360 1.00 1.24 H new ATOM 0 HE2 PHE B 78 -9.277 4.815 1.630 1.00 1.19 H new ATOM 0 HZ PHE B 78 -8.882 7.094 0.794 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.793 2.494 -0.475 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.962 2.753 0.696 1.00 0.27 C ATOM 2894 C LEU B 79 -2.534 3.105 0.297 1.00 0.31 C ATOM 2895 O LEU B 79 -1.898 3.962 0.912 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.979 1.546 1.633 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.361 1.188 2.180 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -5.277 0.020 3.142 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -5.986 2.393 2.861 1.00 0.30 C ATOM 0 H LEU B 79 -5.254 1.584 -0.470 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.378 3.612 1.222 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.578 0.683 1.101 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.310 1.743 2.471 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.993 0.892 1.343 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -6.273 -0.215 3.517 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.870 -0.849 2.625 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.628 0.282 3.977 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.970 2.124 3.246 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.350 2.716 3.685 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -6.088 3.205 2.141 1.00 0.30 H new ATOM 2911 N SER B 80 -2.040 2.462 -0.747 1.00 0.36 N ATOM 2912 CA SER B 80 -0.713 2.766 -1.245 1.00 0.47 C ATOM 2913 C SER B 80 -0.687 4.087 -1.990 1.00 0.37 C ATOM 2914 O SER B 80 0.237 4.862 -1.811 1.00 0.38 O ATOM 2915 CB SER B 80 -0.191 1.654 -2.135 1.00 0.66 C ATOM 2916 OG SER B 80 -1.228 1.094 -2.922 1.00 0.84 O ATOM 0 H SER B 80 -2.534 1.733 -1.261 1.00 0.36 H new ATOM 0 HA SER B 80 -0.058 2.851 -0.378 1.00 0.47 H new ATOM 0 HB2 SER B 80 0.592 2.043 -2.786 1.00 0.66 H new ATOM 0 HB3 SER B 80 0.262 0.876 -1.521 1.00 0.66 H new ATOM 0 HG SER B 80 -1.820 1.808 -3.239 1.00 0.84 H new ATOM 2922 N SER B 81 -1.698 4.356 -2.815 1.00 0.33 N ATOM 2923 CA SER B 81 -1.750 5.619 -3.542 1.00 0.30 C ATOM 2924 C SER B 81 -1.719 6.783 -2.561 1.00 0.24 C ATOM 2925 O SER B 81 -1.182 7.841 -2.865 1.00 0.26 O ATOM 2926 CB SER B 81 -2.984 5.700 -4.453 1.00 0.37 C ATOM 2927 OG SER B 81 -4.191 5.727 -3.712 1.00 1.22 O ATOM 0 H SER B 81 -2.480 3.726 -2.994 1.00 0.33 H new ATOM 0 HA SER B 81 -0.873 5.676 -4.187 1.00 0.30 H new ATOM 0 HB2 SER B 81 -2.919 6.595 -5.072 1.00 0.37 H new ATOM 0 HB3 SER B 81 -2.993 4.845 -5.128 1.00 0.37 H new ATOM 0 HG SER B 81 -4.021 5.415 -2.799 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.272 6.562 -1.370 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.188 7.537 -0.293 1.00 0.23 C ATOM 2935 C ILE B 82 -0.738 7.732 0.128 1.00 0.27 C ATOM 2936 O ILE B 82 -0.219 8.846 0.141 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.972 7.086 0.954 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.427 6.761 0.607 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.891 8.157 2.030 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.250 6.326 1.803 1.00 0.23 C ATOM 0 H ILE B 82 -2.784 5.713 -1.129 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.616 8.463 -0.677 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.519 6.171 1.337 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.890 7.639 0.157 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.446 5.971 -0.144 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.447 7.832 2.909 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.848 8.322 2.301 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.319 9.085 1.652 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.270 6.112 1.484 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.811 5.429 2.240 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.262 7.124 2.546 1.00 0.23 H new ATOM 2952 N ALA B 83 -0.094 6.628 0.470 1.00 0.30 N ATOM 2953 CA ALA B 83 1.274 6.659 0.948 1.00 0.36 C ATOM 2954 C ALA B 83 2.226 7.192 -0.125 1.00 0.37 C ATOM 2955 O ALA B 83 3.212 7.843 0.191 1.00 0.42 O ATOM 2956 CB ALA B 83 1.685 5.270 1.421 1.00 0.40 C ATOM 0 H ALA B 83 -0.502 5.694 0.424 1.00 0.30 H new ATOM 0 HA ALA B 83 1.335 7.345 1.793 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.714 5.297 1.780 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.027 4.952 2.230 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.608 4.566 0.592 1.00 0.40 H new ATOM 2962 N MET B 84 1.906 6.934 -1.391 1.00 0.37 N ATOM 2963 CA MET B 84 2.709 7.420 -2.516 1.00 0.43 C ATOM 2964 C MET B 84 2.455 8.903 -2.754 1.00 0.34 C ATOM 2965 O MET B 84 3.384 9.671 -2.990 1.00 0.37 O ATOM 2966 CB MET B 84 2.384 6.652 -3.800 1.00 0.64 C ATOM 2967 CG MET B 84 2.522 5.150 -3.664 1.00 0.44 C ATOM 2968 SD MET B 84 2.478 4.288 -5.250 1.00 1.00 S ATOM 2969 CE MET B 84 0.827 4.676 -5.823 1.00 1.26 C ATOM 0 H MET B 84 1.090 6.387 -1.667 1.00 0.37 H new ATOM 0 HA MET B 84 3.756 7.262 -2.259 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.365 6.888 -4.105 1.00 0.64 H new ATOM 0 HB3 MET B 84 3.043 6.998 -4.596 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.461 4.922 -3.159 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.719 4.773 -3.030 1.00 0.44 H new ATOM 0 HE1 MET B 84 0.708 4.331 -6.850 1.00 1.26 H new ATOM 0 HE2 MET B 84 0.095 4.179 -5.186 1.00 1.26 H new ATOM 0 HE3 MET B 84 0.672 5.754 -5.782 1.00 1.26 H new ATOM 2979 N MET B 85 1.189 9.304 -2.693 1.00 0.33 N ATOM 2980 CA MET B 85 0.821 10.693 -2.936 1.00 0.35 C ATOM 2981 C MET B 85 1.352 11.586 -1.817 1.00 0.35 C ATOM 2982 O MET B 85 1.799 12.702 -2.068 1.00 0.42 O ATOM 2983 CB MET B 85 -0.699 10.841 -3.094 1.00 0.39 C ATOM 2984 CG MET B 85 -1.462 10.669 -1.806 1.00 1.36 C ATOM 2985 SD MET B 85 -1.782 12.232 -0.962 1.00 2.66 S ATOM 2986 CE MET B 85 -2.655 11.664 0.495 1.00 3.35 C ATOM 0 H MET B 85 0.404 8.689 -2.478 1.00 0.33 H new ATOM 0 HA MET B 85 1.279 11.012 -3.872 1.00 0.35 H new ATOM 0 HB2 MET B 85 -0.918 11.826 -3.507 1.00 0.39 H new ATOM 0 HB3 MET B 85 -1.053 10.106 -3.817 1.00 0.39 H new ATOM 0 HG2 MET B 85 -2.411 10.175 -2.015 1.00 1.36 H new ATOM 0 HG3 MET B 85 -0.900 10.012 -1.142 1.00 1.36 H new ATOM 0 HE1 MET B 85 -3.163 12.506 0.966 1.00 3.35 H new ATOM 0 HE2 MET B 85 -3.390 10.911 0.209 1.00 3.35 H new ATOM 0 HE3 MET B 85 -1.945 11.229 1.198 1.00 3.35 H new ATOM 2996 N SER B 86 1.322 11.083 -0.586 1.00 0.33 N ATOM 2997 CA SER B 86 1.891 11.804 0.544 1.00 0.39 C ATOM 2998 C SER B 86 3.415 11.717 0.489 1.00 0.43 C ATOM 2999 O SER B 86 4.126 12.567 1.024 1.00 0.57 O ATOM 3000 CB SER B 86 1.363 11.227 1.862 1.00 0.43 C ATOM 3001 OG SER B 86 1.776 12.008 2.970 1.00 1.25 O ATOM 0 H SER B 86 0.910 10.181 -0.348 1.00 0.33 H new ATOM 0 HA SER B 86 1.595 12.852 0.490 1.00 0.39 H new ATOM 0 HB2 SER B 86 0.274 11.183 1.831 1.00 0.43 H new ATOM 0 HB3 SER B 86 1.720 10.204 1.982 1.00 0.43 H new ATOM 0 HG SER B 86 1.423 11.616 3.796 1.00 1.25 H new ATOM 3007 N ASN B 87 3.898 10.683 -0.182 1.00 0.40 N ATOM 3008 CA ASN B 87 5.325 10.461 -0.372 1.00 0.51 C ATOM 3009 C ASN B 87 5.925 11.490 -1.325 1.00 0.44 C ATOM 3010 O ASN B 87 6.864 12.201 -0.977 1.00 0.53 O ATOM 3011 CB ASN B 87 5.539 9.058 -0.929 1.00 0.69 C ATOM 3012 CG ASN B 87 6.939 8.810 -1.428 1.00 1.43 C ATOM 3013 OD1 ASN B 87 7.132 8.093 -2.402 1.00 2.36 O ATOM 3014 ND2 ASN B 87 7.923 9.405 -0.783 1.00 1.49 N ATOM 0 H ASN B 87 3.309 9.970 -0.613 1.00 0.40 H new ATOM 0 HA ASN B 87 5.825 10.566 0.591 1.00 0.51 H new ATOM 0 HB2 ASN B 87 5.305 8.329 -0.153 1.00 0.69 H new ATOM 0 HB3 ASN B 87 4.837 8.890 -1.746 1.00 0.69 H new ATOM 0 HD21 ASN B 87 8.887 9.276 -1.091 1.00 1.49 H new ATOM 0 HD22 ASN B 87 7.721 9.995 0.024 1.00 1.49 H new ATOM 3021 N GLU B 88 5.395 11.548 -2.533 1.00 0.37 N ATOM 3022 CA GLU B 88 5.874 12.499 -3.525 1.00 0.42 C ATOM 3023 C GLU B 88 5.598 13.932 -3.068 1.00 0.51 C ATOM 3024 O GLU B 88 6.281 14.873 -3.468 1.00 0.66 O ATOM 3025 CB GLU B 88 5.218 12.216 -4.874 1.00 0.48 C ATOM 3026 CG GLU B 88 5.354 10.764 -5.309 1.00 0.51 C ATOM 3027 CD GLU B 88 4.760 10.502 -6.676 1.00 0.91 C ATOM 3028 OE1 GLU B 88 3.528 10.625 -6.827 1.00 1.49 O ATOM 3029 OE2 GLU B 88 5.525 10.168 -7.605 1.00 1.74 O ATOM 0 H GLU B 88 4.633 10.949 -2.853 1.00 0.37 H new ATOM 0 HA GLU B 88 6.952 12.386 -3.636 1.00 0.42 H new ATOM 0 HB2 GLU B 88 4.161 12.475 -4.819 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.665 12.860 -5.631 1.00 0.48 H new ATOM 0 HG2 GLU B 88 6.409 10.490 -5.318 1.00 0.51 H new ATOM 0 HG3 GLU B 88 4.864 10.123 -4.576 1.00 0.51 H new ATOM 3036 N PHE B 89 4.592 14.088 -2.217 1.00 0.50 N ATOM 3037 CA PHE B 89 4.297 15.379 -1.603 1.00 0.63 C ATOM 3038 C PHE B 89 5.276 15.662 -0.466 1.00 0.66 C ATOM 3039 O PHE B 89 5.529 16.817 -0.125 1.00 0.79 O ATOM 3040 CB PHE B 89 2.853 15.410 -1.088 1.00 0.73 C ATOM 3041 CG PHE B 89 2.424 16.744 -0.543 1.00 1.18 C ATOM 3042 CD1 PHE B 89 2.027 17.761 -1.397 1.00 1.70 C ATOM 3043 CD2 PHE B 89 2.415 16.979 0.824 1.00 2.16 C ATOM 3044 CE1 PHE B 89 1.632 18.987 -0.899 1.00 2.37 C ATOM 3045 CE2 PHE B 89 2.020 18.203 1.326 1.00 2.79 C ATOM 3046 CZ PHE B 89 1.628 19.208 0.464 1.00 2.70 C ATOM 0 H PHE B 89 3.964 13.335 -1.935 1.00 0.50 H new ATOM 0 HA PHE B 89 4.410 16.156 -2.359 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.183 15.129 -1.900 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.741 14.658 -0.307 1.00 0.73 H new ATOM 0 HD1 PHE B 89 2.027 17.593 -2.464 1.00 1.70 H new ATOM 0 HD2 PHE B 89 2.720 16.196 1.503 1.00 2.16 H new ATOM 0 HE1 PHE B 89 1.327 19.772 -1.575 1.00 2.37 H new ATOM 0 HE2 PHE B 89 2.018 18.374 2.392 1.00 2.79 H new ATOM 0 HZ PHE B 89 1.319 20.166 0.855 1.00 2.70 H new ATOM 3056 N PHE B 90 5.834 14.600 0.106 1.00 0.60 N ATOM 3057 CA PHE B 90 6.883 14.729 1.110 1.00 0.68 C ATOM 3058 C PHE B 90 8.106 15.372 0.474 1.00 0.68 C ATOM 3059 O PHE B 90 8.834 16.130 1.114 1.00 0.79 O ATOM 3060 CB PHE B 90 7.232 13.354 1.694 1.00 0.70 C ATOM 3061 CG PHE B 90 8.414 13.353 2.622 1.00 0.85 C ATOM 3062 CD1 PHE B 90 8.335 13.948 3.870 1.00 1.53 C ATOM 3063 CD2 PHE B 90 9.604 12.750 2.245 1.00 1.46 C ATOM 3064 CE1 PHE B 90 9.421 13.943 4.724 1.00 1.64 C ATOM 3065 CE2 PHE B 90 10.692 12.742 3.095 1.00 1.59 C ATOM 3066 CZ PHE B 90 10.600 13.341 4.336 1.00 1.21 C ATOM 0 H PHE B 90 5.576 13.637 -0.110 1.00 0.60 H new ATOM 0 HA PHE B 90 6.532 15.361 1.926 1.00 0.68 H new ATOM 0 HB2 PHE B 90 6.364 12.970 2.231 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.430 12.664 0.873 1.00 0.70 H new ATOM 0 HD1 PHE B 90 7.415 14.421 4.179 1.00 1.53 H new ATOM 0 HD2 PHE B 90 9.681 12.281 1.275 1.00 1.46 H new ATOM 0 HE1 PHE B 90 9.347 14.410 5.695 1.00 1.64 H new ATOM 0 HE2 PHE B 90 11.613 12.268 2.790 1.00 1.59 H new ATOM 0 HZ PHE B 90 11.450 13.338 5.002 1.00 1.21 H new ATOM 3076 N GLU B 91 8.320 15.059 -0.797 1.00 0.61 N ATOM 3077 CA GLU B 91 9.331 15.742 -1.585 1.00 0.72 C ATOM 3078 C GLU B 91 8.872 17.161 -1.873 1.00 0.77 C ATOM 3079 O GLU B 91 9.639 18.121 -1.791 1.00 0.95 O ATOM 3080 CB GLU B 91 9.546 15.044 -2.925 1.00 0.82 C ATOM 3081 CG GLU B 91 9.835 13.561 -2.841 1.00 0.92 C ATOM 3082 CD GLU B 91 9.937 12.938 -4.217 1.00 1.57 C ATOM 3083 OE1 GLU B 91 11.013 13.036 -4.841 1.00 2.22 O ATOM 3084 OE2 GLU B 91 8.941 12.353 -4.686 1.00 2.25 O ATOM 0 H GLU B 91 7.806 14.337 -1.302 1.00 0.61 H new ATOM 0 HA GLU B 91 10.260 15.735 -1.016 1.00 0.72 H new ATOM 0 HB2 GLU B 91 8.657 15.190 -3.539 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.374 15.530 -3.441 1.00 0.82 H new ATOM 0 HG2 GLU B 91 10.766 13.401 -2.298 1.00 0.92 H new ATOM 0 HG3 GLU B 91 9.046 13.067 -2.274 1.00 0.92 H new ATOM 3091 N GLY B 92 7.594 17.266 -2.197 1.00 0.71 N ATOM 3092 CA GLY B 92 7.039 18.496 -2.711 1.00 0.82 C ATOM 3093 C GLY B 92 6.794 18.355 -4.193 1.00 0.81 C ATOM 3094 O GLY B 92 5.850 18.919 -4.742 1.00 0.91 O ATOM 0 H GLY B 92 6.921 16.505 -2.110 1.00 0.71 H new ATOM 0 HA2 GLY B 92 6.106 18.729 -2.198 1.00 0.82 H new ATOM 0 HA3 GLY B 92 7.723 19.323 -2.521 1.00 0.82 H new ATOM 3098 N PHE B 93 7.641 17.544 -4.812 1.00 0.76 N ATOM 3099 CA PHE B 93 7.585 17.249 -6.235 1.00 0.78 C ATOM 3100 C PHE B 93 8.289 15.923 -6.467 1.00 0.69 C ATOM 3101 O PHE B 93 9.430 15.755 -6.041 1.00 0.82 O ATOM 3102 CB PHE B 93 8.272 18.342 -7.067 1.00 1.00 C ATOM 3103 CG PHE B 93 7.499 19.625 -7.169 1.00 1.67 C ATOM 3104 CD1 PHE B 93 6.382 19.708 -7.983 1.00 2.41 C ATOM 3105 CD2 PHE B 93 7.885 20.746 -6.451 1.00 2.58 C ATOM 3106 CE1 PHE B 93 5.665 20.883 -8.079 1.00 3.46 C ATOM 3107 CE2 PHE B 93 7.171 21.924 -6.544 1.00 3.59 C ATOM 3108 CZ PHE B 93 6.059 21.993 -7.358 1.00 3.90 C ATOM 0 H PHE B 93 8.400 17.064 -4.329 1.00 0.76 H new ATOM 0 HA PHE B 93 6.542 17.203 -6.547 1.00 0.78 H new ATOM 0 HB2 PHE B 93 9.248 18.554 -6.630 1.00 1.00 H new ATOM 0 HB3 PHE B 93 8.449 17.959 -8.072 1.00 1.00 H new ATOM 0 HD1 PHE B 93 6.068 18.843 -8.549 1.00 2.41 H new ATOM 0 HD2 PHE B 93 8.754 20.697 -5.812 1.00 2.58 H new ATOM 0 HE1 PHE B 93 4.796 20.935 -8.718 1.00 3.46 H new ATOM 0 HE2 PHE B 93 7.483 22.791 -5.980 1.00 3.59 H new ATOM 0 HZ PHE B 93 5.498 22.913 -7.431 1.00 3.90 H new ATOM 3118 N PRO B 94 7.618 14.959 -7.114 1.00 0.64 N ATOM 3119 CA PRO B 94 8.194 13.635 -7.365 1.00 0.61 C ATOM 3120 C PRO B 94 9.475 13.718 -8.192 1.00 0.71 C ATOM 3121 O PRO B 94 9.441 13.855 -9.418 1.00 0.90 O ATOM 3122 CB PRO B 94 7.089 12.894 -8.122 1.00 0.65 C ATOM 3123 CG PRO B 94 6.190 13.958 -8.649 1.00 0.84 C ATOM 3124 CD PRO B 94 6.257 15.080 -7.656 1.00 0.83 C ATOM 0 HA PRO B 94 8.488 13.131 -6.444 1.00 0.61 H new ATOM 0 HB2 PRO B 94 7.502 12.292 -8.931 1.00 0.65 H new ATOM 0 HB3 PRO B 94 6.549 12.214 -7.463 1.00 0.65 H new ATOM 0 HG2 PRO B 94 6.513 14.290 -9.636 1.00 0.84 H new ATOM 0 HG3 PRO B 94 5.169 13.590 -8.755 1.00 0.84 H new ATOM 0 HD2 PRO B 94 6.095 16.048 -8.129 1.00 0.83 H new ATOM 0 HD3 PRO B 94 5.501 14.976 -6.877 1.00 0.83 H new ATOM 3132 N ASP B 95 10.607 13.622 -7.509 1.00 0.71 N ATOM 3133 CA ASP B 95 11.902 13.861 -8.132 1.00 0.87 C ATOM 3134 C ASP B 95 12.883 12.742 -7.815 1.00 0.84 C ATOM 3135 O ASP B 95 13.957 12.654 -8.407 1.00 0.96 O ATOM 3136 CB ASP B 95 12.467 15.213 -7.685 1.00 1.12 C ATOM 3137 CG ASP B 95 13.751 15.577 -8.401 1.00 1.70 C ATOM 3138 OD1 ASP B 95 13.707 15.808 -9.630 1.00 2.40 O ATOM 3139 OD2 ASP B 95 14.810 15.639 -7.739 1.00 2.16 O ATOM 0 H ASP B 95 10.655 13.379 -6.519 1.00 0.71 H new ATOM 0 HA ASP B 95 11.757 13.881 -9.212 1.00 0.87 H new ATOM 0 HB2 ASP B 95 11.724 15.990 -7.864 1.00 1.12 H new ATOM 0 HB3 ASP B 95 12.650 15.188 -6.611 1.00 1.12 H new ATOM 3144 N LYS B 96 12.492 11.864 -6.903 1.00 0.81 N ATOM 3145 CA LYS B 96 13.259 10.651 -6.633 1.00 0.86 C ATOM 3146 C LYS B 96 12.992 9.677 -7.757 1.00 0.83 C ATOM 3147 O LYS B 96 13.625 8.635 -7.888 1.00 0.94 O ATOM 3148 CB LYS B 96 12.829 10.039 -5.304 1.00 0.97 C ATOM 3149 CG LYS B 96 11.324 9.912 -5.195 1.00 0.93 C ATOM 3150 CD LYS B 96 10.890 9.382 -3.845 1.00 0.65 C ATOM 3151 CE LYS B 96 9.440 9.722 -3.592 1.00 0.84 C ATOM 3152 NZ LYS B 96 8.554 9.096 -4.598 1.00 1.85 N ATOM 0 H LYS B 96 11.650 11.966 -6.337 1.00 0.81 H new ATOM 0 HA LYS B 96 14.322 10.884 -6.571 1.00 0.86 H new ATOM 0 HB2 LYS B 96 13.284 9.055 -5.195 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.201 10.655 -4.485 1.00 0.97 H new ATOM 0 HG2 LYS B 96 10.866 10.886 -5.365 1.00 0.93 H new ATOM 0 HG3 LYS B 96 10.960 9.247 -5.978 1.00 0.93 H new ATOM 0 HD2 LYS B 96 11.029 8.302 -3.809 1.00 0.65 H new ATOM 0 HD3 LYS B 96 11.514 9.810 -3.060 1.00 0.65 H new ATOM 0 HE2 LYS B 96 9.155 9.386 -2.595 1.00 0.84 H new ATOM 0 HE3 LYS B 96 9.310 10.804 -3.613 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 7.716 8.701 -4.125 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 8.255 9.812 -5.291 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 9.067 8.335 -5.087 1.00 1.85 H new