USER MOD reduce.3.24.130724 H: found=0, std=0, add=1484, rem=0, adj=68 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 56 GLN : amide:sc= -0.655 K(o=0.35,f=-4.1) USER MOD Set 1.2: B 57 LYS NZ :NH3+ 162:sc= 1.01 (180deg=-0.0136) USER MOD Set 2.1: B 31 LYS NZ :NH3+ -145:sc= 0.789 (180deg=-0.194) USER MOD Set 2.2: B 68 ASN : amide:sc= -0.549! K(o=0.24!,f=-3.8) USER MOD Set 3.1: A 87 ASN :FLIP amide:sc= -8.46! C(o=-15!,f=-4.2!) USER MOD Set 3.2: A 96 LYS NZ :NH3+ 144:sc= 3.2 (180deg=0.368) USER MOD Set 3.3: B 76 SER OG : rot 68:sc= 1.11 USER MOD Set 4.1: A 76 SER OG : rot 67:sc= 1.12 USER MOD Set 4.2: B 87 ASN :FLIP amide:sc= -8.49! C(o=-15!,f=-4.3!) USER MOD Set 4.3: B 96 LYS NZ :NH3+ 142:sc= 3.1 (180deg=0.454) USER MOD Set 5.1: A 56 GLN : amide:sc= -0.709 K(o=0.27,f=-3.9) USER MOD Set 5.2: A 57 LYS NZ :NH3+ 161:sc= 0.974 (180deg=-0.0158) USER MOD Set 6.1: A 31 LYS NZ :NH3+ -148:sc= 0.754 (180deg=-0.216) USER MOD Set 6.2: A 68 ASN : amide:sc= -0.655! K(o=0.099!,f=-3.9) USER MOD Single : A 3 SER OG : rot 28:sc= 0.721 USER MOD Single : A 7 LYS NZ :NH3+ 149:sc= -1.08 (180deg=-2!) USER MOD Single : A 12 MET CE :methyl -123:sc= -0.33 (180deg=-3.29!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot -178:sc= -2.07! USER MOD Single : A 17 HIS :FLIP no HD1:sc= -2.44! C(o=-3!,f=-2.4!) USER MOD Single : A 18 LYS NZ :NH3+ 165:sc= 1.28 (180deg=0.238) USER MOD Single : A 19 TYR OH : rot 67:sc= 2.01 USER MOD Single : A 20 SER OG : rot -168:sc= 0.675 USER MOD Single : A 22 LYS NZ :NH3+ -128:sc= 0.49 (180deg=0.366) USER MOD Single : A 26 LYS NZ :NH3+ -161:sc= -0.0736 (180deg=-0.508) USER MOD Single : A 28 LYS NZ :NH3+ -177:sc= 1.24 (180deg=1.18) USER MOD Single : A 30 ASN :FLIP amide:sc= -1.74 F(o=-5.1!,f=-1.7) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -168:sc= -0.374 (180deg=-0.689) USER MOD Single : A 39 THR OG1 : rot -73:sc= 0.914 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 MET CE :methyl -148:sc= -1.93 (180deg=-5.68!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -1.64 X(o=-1.6,f=-1.4) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -3.57! C(o=-6.5!,f=-3.6!) USER MOD Single : A 73 GLN :FLIP amide:sc= -0.0513 F(o=-2.4!,f=-0.051) USER MOD Single : A 75 TYR OH : rot 180:sc= -1.47! USER MOD Single : A 80 SER OG : rot -84:sc= 0.118 USER MOD Single : A 81 SER OG : rot 16:sc= 1.15 USER MOD Single : A 84 MET CE :methyl 167:sc= -2.14 (180deg=-2.3!) USER MOD Single : A 85 MET CE :methyl -162:sc= -0.114 (180deg=-0.521) USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : B 3 SER OG : rot 29:sc= 0.752 USER MOD Single : B 7 LYS NZ :NH3+ 149:sc= -0.952 (180deg=-1.96!) USER MOD Single : B 12 MET CE :methyl -122:sc= -0.33 (180deg=-3.27!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 177:sc= -1.99! USER MOD Single : B 17 HIS :FLIP no HD1:sc= -2.45! C(o=-3.1!,f=-2.5!) USER MOD Single : B 18 LYS NZ :NH3+ -119:sc= 1.25 (180deg=0.252) USER MOD Single : B 19 TYR OH : rot 63:sc= 1.91 USER MOD Single : B 20 SER OG : rot -164:sc= 0.698 USER MOD Single : B 22 LYS NZ :NH3+ -165:sc= 0.614 (180deg=0.334) USER MOD Single : B 26 LYS NZ :NH3+ -134:sc= -0.104 (180deg=-0.533) USER MOD Single : B 28 LYS NZ :NH3+ -151:sc= 1.27 (180deg=1.18) USER MOD Single : B 30 ASN :FLIP amide:sc= -1.64 F(o=-5!,f=-1.6) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -168:sc= -0.348 (180deg=-0.644) USER MOD Single : B 39 THR OG1 : rot -72:sc= 0.87 USER MOD Single : B 44 SER OG : rot 180:sc= 0 USER MOD Single : B 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 59 MET CE :methyl -143:sc= -1.92 (180deg=-5.62!) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -1.58! X(o=-1.6!,f=-1.4) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 65 ASN :FLIP amide:sc= -3.68! C(o=-6.5!,f=-3.7!) USER MOD Single : B 73 GLN :FLIP amide:sc= -0.0472 F(o=-2.5!,f=-0.047) USER MOD Single : B 75 TYR OH : rot 130:sc= -1.47! USER MOD Single : B 80 SER OG : rot -91:sc= 0.0355 USER MOD Single : B 81 SER OG : rot 14:sc= 1.17 USER MOD Single : B 84 MET CE :methyl 174:sc= -2.14 (180deg=-2.38!) USER MOD Single : B 85 MET CE :methyl -161:sc= -0.0902 (180deg=-0.554) USER MOD Single : B 86 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.016 2.987 13.113 1.00 0.79 N ATOM 31 CA SER A 3 -7.485 4.240 13.669 1.00 0.78 C ATOM 32 C SER A 3 -6.007 4.522 13.231 1.00 0.65 C ATOM 33 O SER A 3 -5.643 4.216 12.110 1.00 0.83 O ATOM 34 CB SER A 3 -7.665 4.108 15.184 1.00 0.97 C ATOM 35 OG SER A 3 -8.872 3.416 15.483 1.00 1.18 O ATOM 0 HA SER A 3 -8.018 5.111 13.288 1.00 0.78 H new ATOM 0 HB2 SER A 3 -6.817 3.574 15.612 1.00 0.97 H new ATOM 0 HB3 SER A 3 -7.683 5.097 15.642 1.00 0.97 H new ATOM 0 HG SER A 3 -9.093 2.810 14.746 1.00 1.18 H new ATOM 41 N PRO A 4 -5.177 5.289 13.993 1.00 0.67 N ATOM 42 CA PRO A 4 -3.744 5.464 13.690 1.00 0.62 C ATOM 43 C PRO A 4 -3.020 4.295 12.970 1.00 0.46 C ATOM 44 O PRO A 4 -1.900 4.492 12.534 1.00 0.50 O ATOM 45 CB PRO A 4 -3.164 5.680 15.075 1.00 0.79 C ATOM 46 CG PRO A 4 -4.181 6.533 15.741 1.00 0.96 C ATOM 47 CD PRO A 4 -5.522 6.098 15.190 1.00 0.87 C ATOM 0 HA PRO A 4 -3.609 6.269 12.968 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -3.021 4.737 15.603 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -2.192 6.172 15.032 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -4.146 6.408 16.823 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -3.999 7.588 15.536 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -6.081 5.512 15.919 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -6.142 6.955 14.927 1.00 0.87 H new ATOM 55 N LEU A 5 -3.603 3.087 12.890 1.00 0.36 N ATOM 56 CA LEU A 5 -3.035 2.010 12.059 1.00 0.32 C ATOM 57 C LEU A 5 -2.995 2.384 10.580 1.00 0.30 C ATOM 58 O LEU A 5 -1.962 2.230 9.938 1.00 0.32 O ATOM 59 CB LEU A 5 -3.804 0.701 12.214 1.00 0.31 C ATOM 60 CG LEU A 5 -3.449 -0.389 11.187 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.356 -1.739 11.872 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.482 -0.453 10.074 1.00 0.27 C ATOM 0 H LEU A 5 -4.458 2.832 13.385 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.015 1.871 12.418 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.624 0.308 13.215 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -4.871 0.913 12.142 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.484 -0.135 10.748 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -3.104 -2.503 11.137 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.583 -1.705 12.639 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.314 -1.980 12.333 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.204 -1.232 9.364 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.460 -0.680 10.498 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.524 0.508 9.561 1.00 0.27 H new ATOM 74 N GLU A 6 -4.108 2.849 10.019 1.00 0.34 N ATOM 75 CA GLU A 6 -4.100 3.257 8.618 1.00 0.42 C ATOM 76 C GLU A 6 -3.136 4.435 8.459 1.00 0.33 C ATOM 77 O GLU A 6 -2.374 4.560 7.488 1.00 0.31 O ATOM 78 CB GLU A 6 -5.494 3.643 8.130 1.00 0.62 C ATOM 79 CG GLU A 6 -6.501 2.501 8.123 1.00 1.80 C ATOM 80 CD GLU A 6 -6.121 1.355 7.203 1.00 2.84 C ATOM 81 OE1 GLU A 6 -5.757 1.622 6.041 1.00 3.32 O ATOM 82 OE2 GLU A 6 -6.213 0.181 7.635 1.00 3.61 O ATOM 0 H GLU A 6 -5.003 2.951 10.497 1.00 0.34 H new ATOM 0 HA GLU A 6 -3.772 2.414 8.009 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -5.877 4.444 8.762 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.413 4.045 7.120 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -6.610 2.119 9.138 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -7.474 2.889 7.822 1.00 1.80 H new ATOM 89 N LYS A 7 -3.144 5.285 9.469 1.00 0.35 N ATOM 90 CA LYS A 7 -2.215 6.394 9.543 1.00 0.36 C ATOM 91 C LYS A 7 -0.798 5.866 9.793 1.00 0.32 C ATOM 92 O LYS A 7 0.186 6.565 9.579 1.00 0.35 O ATOM 93 CB LYS A 7 -2.645 7.386 10.629 1.00 0.44 C ATOM 94 CG LYS A 7 -4.113 7.819 10.546 1.00 0.63 C ATOM 95 CD LYS A 7 -4.385 8.785 9.390 1.00 0.79 C ATOM 96 CE LYS A 7 -4.345 8.100 8.031 1.00 1.78 C ATOM 97 NZ LYS A 7 -3.183 8.553 7.218 1.00 2.82 N ATOM 0 H LYS A 7 -3.791 5.226 10.256 1.00 0.35 H new ATOM 0 HA LYS A 7 -2.218 6.929 8.594 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -2.466 6.937 11.606 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -2.013 8.272 10.565 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.741 6.936 10.430 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -4.400 8.293 11.484 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -5.362 9.248 9.531 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -3.647 9.587 9.410 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -4.293 7.020 8.170 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -5.269 8.308 7.492 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -2.869 7.778 6.599 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -3.463 9.369 6.637 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -2.404 8.829 7.849 1.00 2.82 H new ATOM 111 N ALA A 8 -0.716 4.632 10.275 1.00 0.29 N ATOM 112 CA ALA A 8 0.558 3.965 10.514 1.00 0.29 C ATOM 113 C ALA A 8 1.131 3.412 9.223 1.00 0.27 C ATOM 114 O ALA A 8 2.333 3.215 9.123 1.00 0.28 O ATOM 115 CB ALA A 8 0.429 2.857 11.546 1.00 0.32 C ATOM 0 H ALA A 8 -1.531 4.065 10.511 1.00 0.29 H new ATOM 0 HA ALA A 8 1.243 4.715 10.910 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.400 2.385 11.696 1.00 0.32 H new ATOM 0 HB2 ALA A 8 0.080 3.277 12.489 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.286 2.113 11.194 1.00 0.32 H new ATOM 121 N LEU A 9 0.280 3.135 8.237 1.00 0.26 N ATOM 122 CA LEU A 9 0.797 2.874 6.891 1.00 0.26 C ATOM 123 C LEU A 9 1.455 4.151 6.396 1.00 0.26 C ATOM 124 O LEU A 9 2.442 4.139 5.667 1.00 0.26 O ATOM 125 CB LEU A 9 -0.288 2.455 5.888 1.00 0.26 C ATOM 126 CG LEU A 9 -1.587 1.932 6.480 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.598 1.680 5.381 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.372 0.667 7.293 1.00 0.27 C ATOM 0 H LEU A 9 -0.734 3.086 8.334 1.00 0.26 H new ATOM 0 HA LEU A 9 1.497 2.041 6.958 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.521 3.313 5.257 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.126 1.684 5.238 1.00 0.26 H new ATOM 0 HG LEU A 9 -1.970 2.696 7.156 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.524 1.306 5.817 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.797 2.611 4.850 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.201 0.942 4.684 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.326 0.328 7.697 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -0.952 -0.110 6.654 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.683 0.874 8.112 1.00 0.27 H new ATOM 140 N ASP A 10 0.890 5.269 6.815 1.00 0.27 N ATOM 141 CA ASP A 10 1.522 6.567 6.558 1.00 0.29 C ATOM 142 C ASP A 10 2.829 6.678 7.360 1.00 0.27 C ATOM 143 O ASP A 10 3.829 7.241 6.898 1.00 0.28 O ATOM 144 CB ASP A 10 0.569 7.708 6.910 1.00 0.33 C ATOM 145 CG ASP A 10 1.167 9.073 6.641 1.00 0.38 C ATOM 146 OD1 ASP A 10 1.283 9.454 5.463 1.00 1.18 O ATOM 147 OD2 ASP A 10 1.503 9.778 7.615 1.00 1.16 O ATOM 0 H ASP A 10 0.009 5.314 7.327 1.00 0.27 H new ATOM 0 HA ASP A 10 1.756 6.643 5.496 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.350 7.599 6.334 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.296 7.636 7.963 1.00 0.33 H new ATOM 152 N VAL A 11 2.827 6.110 8.562 1.00 0.27 N ATOM 153 CA VAL A 11 4.033 6.016 9.369 1.00 0.27 C ATOM 154 C VAL A 11 5.041 5.077 8.697 1.00 0.27 C ATOM 155 O VAL A 11 6.238 5.148 8.949 1.00 0.29 O ATOM 156 CB VAL A 11 3.711 5.527 10.801 1.00 0.28 C ATOM 157 CG1 VAL A 11 4.977 5.307 11.606 1.00 0.31 C ATOM 158 CG2 VAL A 11 2.804 6.521 11.511 1.00 0.31 C ATOM 0 H VAL A 11 1.998 5.707 8.998 1.00 0.27 H new ATOM 0 HA VAL A 11 4.471 7.011 9.447 1.00 0.27 H new ATOM 0 HB VAL A 11 3.193 4.572 10.718 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.717 4.964 12.607 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.595 4.556 11.114 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.531 6.243 11.676 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.587 6.162 12.517 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.301 7.489 11.571 1.00 0.31 H new ATOM 0 HG23 VAL A 11 1.873 6.625 10.955 1.00 0.31 H new ATOM 168 N MET A 12 4.540 4.200 7.840 1.00 0.26 N ATOM 169 CA MET A 12 5.389 3.352 7.011 1.00 0.29 C ATOM 170 C MET A 12 6.158 4.194 5.995 1.00 0.29 C ATOM 171 O MET A 12 7.310 3.900 5.675 1.00 0.34 O ATOM 172 CB MET A 12 4.554 2.274 6.311 1.00 0.32 C ATOM 173 CG MET A 12 5.250 1.621 5.135 1.00 0.98 C ATOM 174 SD MET A 12 5.130 2.579 3.601 1.00 2.23 S ATOM 175 CE MET A 12 3.377 2.466 3.247 1.00 2.75 C ATOM 0 H MET A 12 3.540 4.055 7.699 1.00 0.26 H new ATOM 0 HA MET A 12 6.114 2.853 7.654 1.00 0.29 H new ATOM 0 HB2 MET A 12 4.291 1.505 7.037 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.621 2.719 5.966 1.00 0.32 H new ATOM 0 HG2 MET A 12 6.302 1.474 5.381 1.00 0.98 H new ATOM 0 HG3 MET A 12 4.820 0.633 4.971 1.00 0.98 H new ATOM 0 HE1 MET A 12 3.233 2.035 2.256 1.00 2.75 H new ATOM 0 HE2 MET A 12 2.896 1.832 3.992 1.00 2.75 H new ATOM 0 HE3 MET A 12 2.935 3.462 3.278 1.00 2.75 H new ATOM 185 N VAL A 13 5.523 5.240 5.481 1.00 0.29 N ATOM 186 CA VAL A 13 6.240 6.219 4.669 1.00 0.31 C ATOM 187 C VAL A 13 7.423 6.759 5.479 1.00 0.27 C ATOM 188 O VAL A 13 8.532 6.971 4.962 1.00 0.27 O ATOM 189 CB VAL A 13 5.324 7.387 4.229 1.00 0.37 C ATOM 190 CG1 VAL A 13 6.082 8.370 3.350 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.098 6.859 3.496 1.00 0.42 C ATOM 0 H VAL A 13 4.529 5.432 5.608 1.00 0.29 H new ATOM 0 HA VAL A 13 6.591 5.725 3.763 1.00 0.31 H new ATOM 0 HB VAL A 13 4.995 7.913 5.125 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.417 9.181 3.054 1.00 0.41 H new ATOM 0 HG12 VAL A 13 6.927 8.778 3.905 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.446 7.856 2.460 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.466 7.695 3.195 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.413 6.305 2.612 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.536 6.199 4.156 1.00 0.42 H new ATOM 201 N SER A 14 7.185 6.946 6.770 1.00 0.26 N ATOM 202 CA SER A 14 8.250 7.317 7.691 1.00 0.26 C ATOM 203 C SER A 14 9.240 6.164 7.898 1.00 0.25 C ATOM 204 O SER A 14 10.434 6.404 8.081 1.00 0.26 O ATOM 205 CB SER A 14 7.663 7.776 9.024 1.00 0.31 C ATOM 206 OG SER A 14 6.716 8.810 8.822 1.00 1.18 O ATOM 0 H SER A 14 6.266 6.847 7.202 1.00 0.26 H new ATOM 0 HA SER A 14 8.803 8.147 7.250 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.188 6.934 9.528 1.00 0.31 H new ATOM 0 HB3 SER A 14 8.461 8.129 9.677 1.00 0.31 H new ATOM 0 HG SER A 14 6.349 9.091 9.686 1.00 1.18 H new ATOM 212 N THR A 15 8.744 4.922 7.861 1.00 0.28 N ATOM 213 CA THR A 15 9.606 3.743 7.884 1.00 0.32 C ATOM 214 C THR A 15 10.673 3.879 6.811 1.00 0.28 C ATOM 215 O THR A 15 11.866 3.651 7.050 1.00 0.29 O ATOM 216 CB THR A 15 8.814 2.437 7.625 1.00 0.45 C ATOM 217 OG1 THR A 15 7.787 2.260 8.607 1.00 0.59 O ATOM 218 CG2 THR A 15 9.737 1.229 7.631 1.00 0.93 C ATOM 0 H THR A 15 7.747 4.711 7.815 1.00 0.28 H new ATOM 0 HA THR A 15 10.052 3.683 8.877 1.00 0.32 H new ATOM 0 HB THR A 15 8.353 2.523 6.641 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.314 1.418 8.438 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.155 0.326 7.447 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.489 1.342 6.850 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.229 1.152 8.600 1.00 0.93 H new ATOM 226 N PHE A 16 10.225 4.296 5.638 1.00 0.27 N ATOM 227 CA PHE A 16 11.099 4.449 4.500 1.00 0.27 C ATOM 228 C PHE A 16 12.229 5.425 4.788 1.00 0.29 C ATOM 229 O PHE A 16 13.395 5.039 4.778 1.00 0.37 O ATOM 230 CB PHE A 16 10.310 4.900 3.276 1.00 0.34 C ATOM 231 CG PHE A 16 11.155 4.984 2.043 1.00 0.83 C ATOM 232 CD1 PHE A 16 11.832 6.148 1.728 1.00 1.73 C ATOM 233 CD2 PHE A 16 11.287 3.893 1.211 1.00 1.65 C ATOM 234 CE1 PHE A 16 12.620 6.222 0.604 1.00 2.34 C ATOM 235 CE2 PHE A 16 12.076 3.960 0.085 1.00 2.27 C ATOM 236 CZ PHE A 16 12.744 5.126 -0.217 1.00 2.36 C ATOM 0 H PHE A 16 9.251 4.535 5.454 1.00 0.27 H new ATOM 0 HA PHE A 16 11.544 3.475 4.295 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.489 4.205 3.102 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.866 5.875 3.474 1.00 0.34 H new ATOM 0 HD1 PHE A 16 11.741 7.009 2.373 1.00 1.73 H new ATOM 0 HD2 PHE A 16 10.766 2.976 1.445 1.00 1.65 H new ATOM 0 HE1 PHE A 16 13.140 7.138 0.367 1.00 2.34 H new ATOM 0 HE2 PHE A 16 12.171 3.100 -0.561 1.00 2.27 H new ATOM 0 HZ PHE A 16 13.365 5.179 -1.099 1.00 2.36 H new ATOM 246 N HIS A 17 11.892 6.683 5.075 1.00 0.30 N ATOM 247 CA HIS A 17 12.931 7.706 5.243 1.00 0.40 C ATOM 248 C HIS A 17 13.819 7.405 6.453 1.00 0.36 C ATOM 249 O HIS A 17 14.928 7.928 6.571 1.00 0.42 O ATOM 250 CB HIS A 17 12.332 9.124 5.319 1.00 0.59 C ATOM 251 CG HIS A 17 11.579 9.469 6.578 1.00 0.81 C ATOM 252 ND1 HIS A 17 11.974 9.510 7.874 1.00 1.53 N flip ATOM 253 CD2 HIS A 17 10.270 9.907 6.571 1.00 1.78 C flip ATOM 254 CE1 HIS A 17 10.912 9.969 8.611 1.00 2.03 C flip ATOM 255 NE2 HIS A 17 9.899 10.202 7.802 1.00 2.20 N flip ATOM 0 H HIS A 17 10.935 7.015 5.194 1.00 0.30 H new ATOM 0 HA HIS A 17 13.563 7.674 4.355 1.00 0.40 H new ATOM 0 HB2 HIS A 17 13.142 9.843 5.198 1.00 0.59 H new ATOM 0 HB3 HIS A 17 11.659 9.256 4.472 1.00 0.59 H new ATOM 0 HD2 HIS A 17 9.646 9.995 5.694 1.00 1.78 H new ATOM 0 HE1 HIS A 17 10.907 10.116 9.681 1.00 2.03 H new ATOM 0 HE2 HIS A 17 8.982 10.552 8.080 1.00 2.20 H new ATOM 264 N LYS A 18 13.323 6.554 7.338 1.00 0.34 N ATOM 265 CA LYS A 18 14.086 6.104 8.492 1.00 0.39 C ATOM 266 C LYS A 18 15.281 5.264 8.054 1.00 0.37 C ATOM 267 O LYS A 18 16.391 5.428 8.568 1.00 0.47 O ATOM 268 CB LYS A 18 13.169 5.304 9.420 1.00 0.43 C ATOM 269 CG LYS A 18 13.885 4.351 10.371 1.00 0.55 C ATOM 270 CD LYS A 18 12.894 3.635 11.279 1.00 0.73 C ATOM 271 CE LYS A 18 11.633 3.249 10.522 1.00 0.80 C ATOM 272 NZ LYS A 18 10.739 2.364 11.307 1.00 1.28 N ATOM 0 H LYS A 18 12.385 6.158 7.277 1.00 0.34 H new ATOM 0 HA LYS A 18 14.471 6.970 9.029 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.575 6.003 10.009 1.00 0.43 H new ATOM 0 HB3 LYS A 18 12.472 4.729 8.810 1.00 0.43 H new ATOM 0 HG2 LYS A 18 14.452 3.618 9.797 1.00 0.55 H new ATOM 0 HG3 LYS A 18 14.602 4.906 10.976 1.00 0.55 H new ATOM 0 HD2 LYS A 18 13.359 2.741 11.696 1.00 0.73 H new ATOM 0 HD3 LYS A 18 12.634 4.280 12.118 1.00 0.73 H new ATOM 0 HE2 LYS A 18 11.090 4.153 10.245 1.00 0.80 H new ATOM 0 HE3 LYS A 18 11.911 2.747 9.595 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 9.799 2.337 10.862 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 11.137 1.404 11.333 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 10.653 2.730 12.277 1.00 1.28 H new ATOM 286 N TYR A 19 15.057 4.376 7.095 1.00 0.29 N ATOM 287 CA TYR A 19 16.117 3.496 6.626 1.00 0.29 C ATOM 288 C TYR A 19 16.838 4.046 5.414 1.00 0.33 C ATOM 289 O TYR A 19 17.991 3.718 5.217 1.00 0.44 O ATOM 290 CB TYR A 19 15.582 2.100 6.339 1.00 0.31 C ATOM 291 CG TYR A 19 15.353 1.295 7.590 1.00 0.36 C ATOM 292 CD1 TYR A 19 14.206 1.474 8.343 1.00 1.23 C ATOM 293 CD2 TYR A 19 16.287 0.365 8.023 1.00 1.28 C ATOM 294 CE1 TYR A 19 13.995 0.751 9.494 1.00 1.26 C ATOM 295 CE2 TYR A 19 16.079 -0.366 9.175 1.00 1.35 C ATOM 296 CZ TYR A 19 14.929 -0.168 9.907 1.00 0.62 C ATOM 297 OH TYR A 19 14.709 -0.892 11.058 1.00 0.79 O ATOM 0 H TYR A 19 14.158 4.247 6.630 1.00 0.29 H new ATOM 0 HA TYR A 19 16.847 3.434 7.433 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.645 2.181 5.788 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.285 1.571 5.696 1.00 0.31 H new ATOM 0 HD1 TYR A 19 13.466 2.192 8.022 1.00 1.23 H new ATOM 0 HD2 TYR A 19 17.190 0.211 7.450 1.00 1.28 H new ATOM 0 HE1 TYR A 19 13.096 0.906 10.072 1.00 1.26 H new ATOM 0 HE2 TYR A 19 16.813 -1.088 9.500 1.00 1.35 H new ATOM 0 HH TYR A 19 13.952 -1.500 10.922 1.00 0.79 H new ATOM 307 N SER A 20 16.175 4.875 4.615 1.00 0.29 N ATOM 308 CA SER A 20 16.822 5.493 3.461 1.00 0.32 C ATOM 309 C SER A 20 17.736 6.614 3.911 1.00 0.40 C ATOM 310 O SER A 20 18.667 7.007 3.216 1.00 0.60 O ATOM 311 CB SER A 20 15.778 6.047 2.499 1.00 0.35 C ATOM 312 OG SER A 20 14.888 5.033 2.095 1.00 0.86 O ATOM 0 H SER A 20 15.197 5.134 4.743 1.00 0.29 H new ATOM 0 HA SER A 20 17.410 4.731 2.950 1.00 0.32 H new ATOM 0 HB2 SER A 20 15.225 6.854 2.980 1.00 0.35 H new ATOM 0 HB3 SER A 20 16.271 6.475 1.626 1.00 0.35 H new ATOM 0 HG SER A 20 14.352 5.351 1.339 1.00 0.86 H new ATOM 318 N GLY A 21 17.472 7.129 5.094 1.00 0.37 N ATOM 319 CA GLY A 21 18.263 8.223 5.588 1.00 0.43 C ATOM 320 C GLY A 21 19.523 7.761 6.284 1.00 0.41 C ATOM 321 O GLY A 21 20.032 8.445 7.171 1.00 0.46 O ATOM 0 H GLY A 21 16.729 6.811 5.717 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.530 8.878 4.758 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.665 8.815 6.281 1.00 0.43 H new ATOM 325 N LYS A 22 20.026 6.599 5.892 1.00 0.40 N ATOM 326 CA LYS A 22 21.236 6.064 6.492 1.00 0.46 C ATOM 327 C LYS A 22 22.406 6.140 5.517 1.00 0.52 C ATOM 328 O LYS A 22 23.481 6.645 5.847 1.00 0.65 O ATOM 329 CB LYS A 22 21.021 4.617 6.910 1.00 0.47 C ATOM 330 CG LYS A 22 19.782 4.395 7.759 1.00 0.60 C ATOM 331 CD LYS A 22 19.718 2.968 8.274 1.00 0.56 C ATOM 332 CE LYS A 22 19.832 1.951 7.146 1.00 0.49 C ATOM 333 NZ LYS A 22 19.932 0.570 7.675 1.00 1.08 N ATOM 0 H LYS A 22 19.616 6.013 5.165 1.00 0.40 H new ATOM 0 HA LYS A 22 21.470 6.666 7.370 1.00 0.46 H new ATOM 0 HB2 LYS A 22 20.951 3.998 6.015 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.895 4.277 7.466 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.785 5.088 8.600 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.891 4.612 7.170 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.522 2.805 8.992 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.779 2.816 8.806 1.00 0.56 H new ATOM 0 HE2 LYS A 22 18.963 2.030 6.492 1.00 0.49 H new ATOM 0 HE3 LYS A 22 20.709 2.175 6.539 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 20.758 0.097 7.256 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 20.039 0.601 8.709 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 19.070 0.042 7.432 1.00 1.08 H new ATOM 347 N GLU A 23 22.177 5.640 4.318 1.00 0.47 N ATOM 348 CA GLU A 23 23.199 5.541 3.293 1.00 0.55 C ATOM 349 C GLU A 23 22.600 5.918 1.940 1.00 0.58 C ATOM 350 O GLU A 23 21.390 5.874 1.763 1.00 0.64 O ATOM 351 CB GLU A 23 23.738 4.103 3.259 1.00 0.67 C ATOM 352 CG GLU A 23 24.825 3.859 2.224 1.00 1.15 C ATOM 353 CD GLU A 23 26.053 4.706 2.467 1.00 1.59 C ATOM 354 OE1 GLU A 23 26.949 4.260 3.211 1.00 1.96 O ATOM 355 OE2 GLU A 23 26.125 5.830 1.922 1.00 2.38 O ATOM 0 H GLU A 23 21.266 5.287 4.025 1.00 0.47 H new ATOM 0 HA GLU A 23 24.019 6.224 3.515 1.00 0.55 H new ATOM 0 HB2 GLU A 23 24.130 3.853 4.245 1.00 0.67 H new ATOM 0 HB3 GLU A 23 22.909 3.423 3.064 1.00 0.67 H new ATOM 0 HG2 GLU A 23 25.105 2.806 2.237 1.00 1.15 H new ATOM 0 HG3 GLU A 23 24.431 4.072 1.230 1.00 1.15 H new ATOM 362 N GLY A 24 23.439 6.308 0.998 1.00 0.72 N ATOM 363 CA GLY A 24 22.959 6.607 -0.335 1.00 0.85 C ATOM 364 C GLY A 24 22.147 7.886 -0.405 1.00 0.79 C ATOM 365 O GLY A 24 22.700 8.967 -0.618 1.00 0.92 O ATOM 0 H GLY A 24 24.444 6.424 1.130 1.00 0.72 H new ATOM 0 HA2 GLY A 24 23.810 6.687 -1.011 1.00 0.85 H new ATOM 0 HA3 GLY A 24 22.348 5.777 -0.689 1.00 0.85 H new ATOM 369 N ASP A 25 20.839 7.772 -0.211 1.00 0.71 N ATOM 370 CA ASP A 25 19.938 8.907 -0.373 1.00 0.70 C ATOM 371 C ASP A 25 18.689 8.726 0.487 1.00 0.73 C ATOM 372 O ASP A 25 18.187 7.622 0.634 1.00 1.34 O ATOM 373 CB ASP A 25 19.551 9.054 -1.848 1.00 0.73 C ATOM 374 CG ASP A 25 18.747 10.305 -2.120 1.00 1.04 C ATOM 375 OD1 ASP A 25 19.357 11.380 -2.309 1.00 1.75 O ATOM 376 OD2 ASP A 25 17.508 10.224 -2.150 1.00 1.65 O ATOM 0 H ASP A 25 20.377 6.903 0.059 1.00 0.71 H new ATOM 0 HA ASP A 25 20.450 9.812 -0.047 1.00 0.70 H new ATOM 0 HB2 ASP A 25 20.455 9.069 -2.457 1.00 0.73 H new ATOM 0 HB3 ASP A 25 18.974 8.182 -2.156 1.00 0.73 H new ATOM 381 N LYS A 26 18.167 9.831 1.006 1.00 0.61 N ATOM 382 CA LYS A 26 17.076 9.808 1.984 1.00 0.56 C ATOM 383 C LYS A 26 15.757 9.487 1.319 1.00 0.49 C ATOM 384 O LYS A 26 14.728 9.334 1.978 1.00 0.55 O ATOM 385 CB LYS A 26 16.954 11.165 2.675 1.00 0.71 C ATOM 386 CG LYS A 26 17.987 11.403 3.753 1.00 1.03 C ATOM 387 CD LYS A 26 17.391 11.170 5.130 1.00 0.70 C ATOM 388 CE LYS A 26 16.409 12.266 5.514 1.00 0.94 C ATOM 389 NZ LYS A 26 17.047 13.610 5.518 1.00 1.56 N ATOM 0 H LYS A 26 18.485 10.769 0.764 1.00 0.61 H new ATOM 0 HA LYS A 26 17.308 9.035 2.716 1.00 0.56 H new ATOM 0 HB2 LYS A 26 17.039 11.952 1.925 1.00 0.71 H new ATOM 0 HB3 LYS A 26 15.960 11.249 3.114 1.00 0.71 H new ATOM 0 HG2 LYS A 26 18.837 10.738 3.602 1.00 1.03 H new ATOM 0 HG3 LYS A 26 18.364 12.423 3.683 1.00 1.03 H new ATOM 0 HD2 LYS A 26 16.884 10.205 5.148 1.00 0.70 H new ATOM 0 HD3 LYS A 26 18.191 11.124 5.869 1.00 0.70 H new ATOM 0 HE2 LYS A 26 15.572 12.264 4.815 1.00 0.94 H new ATOM 0 HE3 LYS A 26 16.000 12.056 6.502 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 16.468 14.268 6.078 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 17.996 13.542 5.937 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 17.124 13.961 4.542 1.00 1.56 H new ATOM 403 N PHE A 27 15.802 9.404 0.012 1.00 0.45 N ATOM 404 CA PHE A 27 14.617 9.187 -0.781 1.00 0.44 C ATOM 405 C PHE A 27 14.706 7.862 -1.511 1.00 0.40 C ATOM 406 O PHE A 27 13.823 7.526 -2.303 1.00 0.40 O ATOM 407 CB PHE A 27 14.432 10.336 -1.779 1.00 0.50 C ATOM 408 CG PHE A 27 14.043 11.643 -1.143 1.00 0.78 C ATOM 409 CD1 PHE A 27 14.986 12.422 -0.490 1.00 1.76 C ATOM 410 CD2 PHE A 27 12.735 12.093 -1.200 1.00 1.28 C ATOM 411 CE1 PHE A 27 14.630 13.622 0.095 1.00 2.09 C ATOM 412 CE2 PHE A 27 12.373 13.292 -0.617 1.00 1.59 C ATOM 413 CZ PHE A 27 13.322 14.056 0.032 1.00 1.65 C ATOM 0 H PHE A 27 16.661 9.485 -0.532 1.00 0.45 H new ATOM 0 HA PHE A 27 13.753 9.158 -0.118 1.00 0.44 H new ATOM 0 HB2 PHE A 27 15.360 10.475 -2.333 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.668 10.055 -2.504 1.00 0.50 H new ATOM 0 HD1 PHE A 27 16.011 12.087 -0.438 1.00 1.76 H new ATOM 0 HD2 PHE A 27 11.988 11.499 -1.707 1.00 1.28 H new ATOM 0 HE1 PHE A 27 15.374 14.219 0.601 1.00 2.09 H new ATOM 0 HE2 PHE A 27 11.349 13.631 -0.669 1.00 1.59 H new ATOM 0 HZ PHE A 27 13.041 14.993 0.490 1.00 1.65 H new ATOM 423 N LYS A 28 15.763 7.100 -1.230 1.00 0.39 N ATOM 424 CA LYS A 28 15.955 5.816 -1.880 1.00 0.36 C ATOM 425 C LYS A 28 16.694 4.827 -0.995 1.00 0.34 C ATOM 426 O LYS A 28 17.718 5.146 -0.405 1.00 0.38 O ATOM 427 CB LYS A 28 16.714 5.941 -3.199 1.00 0.40 C ATOM 428 CG LYS A 28 15.964 6.655 -4.305 1.00 0.49 C ATOM 429 CD LYS A 28 16.510 6.251 -5.660 1.00 0.56 C ATOM 430 CE LYS A 28 15.840 7.008 -6.784 1.00 0.86 C ATOM 431 NZ LYS A 28 16.094 6.369 -8.100 1.00 1.70 N ATOM 0 H LYS A 28 16.491 7.352 -0.561 1.00 0.39 H new ATOM 0 HA LYS A 28 14.950 5.444 -2.077 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.649 6.470 -3.014 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.977 4.942 -3.546 1.00 0.40 H new ATOM 0 HG2 LYS A 28 14.902 6.415 -4.247 1.00 0.49 H new ATOM 0 HG3 LYS A 28 16.054 7.734 -4.176 1.00 0.49 H new ATOM 0 HD2 LYS A 28 17.584 6.434 -5.688 1.00 0.56 H new ATOM 0 HD3 LYS A 28 16.365 5.181 -5.806 1.00 0.56 H new ATOM 0 HE2 LYS A 28 14.766 7.055 -6.603 1.00 0.86 H new ATOM 0 HE3 LYS A 28 16.206 8.035 -6.801 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 15.663 6.942 -8.853 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 17.119 6.301 -8.261 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 15.678 5.416 -8.109 1.00 1.70 H new ATOM 445 N LEU A 29 16.176 3.612 -0.954 1.00 0.31 N ATOM 446 CA LEU A 29 16.813 2.519 -0.253 1.00 0.28 C ATOM 447 C LEU A 29 17.728 1.773 -1.195 1.00 0.31 C ATOM 448 O LEU A 29 17.270 1.075 -2.105 1.00 0.33 O ATOM 449 CB LEU A 29 15.776 1.535 0.280 1.00 0.26 C ATOM 450 CG LEU A 29 14.819 2.080 1.323 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.574 1.228 1.368 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.486 2.104 2.686 1.00 0.25 C ATOM 0 H LEU A 29 15.299 3.358 -1.408 1.00 0.31 H new ATOM 0 HA LEU A 29 17.377 2.939 0.580 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.192 1.162 -0.561 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.301 0.681 0.708 1.00 0.26 H new ATOM 0 HG LEU A 29 14.543 3.099 1.053 1.00 0.26 H new ATOM 0 HD11 LEU A 29 12.890 1.623 2.119 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.089 1.241 0.392 1.00 0.28 H new ATOM 0 HD13 LEU A 29 13.843 0.204 1.626 1.00 0.28 H new ATOM 0 HD21 LEU A 29 14.788 2.497 3.426 1.00 0.25 H new ATOM 0 HD22 LEU A 29 15.779 1.092 2.966 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.370 2.740 2.647 1.00 0.25 H new ATOM 464 N ASN A 30 19.011 1.916 -0.978 1.00 0.32 N ATOM 465 CA ASN A 30 19.990 1.124 -1.694 1.00 0.36 C ATOM 466 C ASN A 30 19.947 -0.288 -1.148 1.00 0.33 C ATOM 467 O ASN A 30 19.278 -0.530 -0.145 1.00 0.30 O ATOM 468 CB ASN A 30 21.378 1.749 -1.557 1.00 0.42 C ATOM 469 CG ASN A 30 21.678 2.172 -0.137 1.00 0.44 C ATOM 470 OD1 ASN A 30 21.124 3.310 0.261 1.00 0.56 O flip ATOM 471 ND2 ASN A 30 22.352 1.460 0.610 1.00 0.43 N flip ATOM 0 H ASN A 30 19.407 2.576 -0.309 1.00 0.32 H new ATOM 0 HA ASN A 30 19.760 1.098 -2.759 1.00 0.36 H new ATOM 0 HB2 ASN A 30 22.131 1.033 -1.887 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.451 2.615 -2.215 1.00 0.42 H new ATOM 0 HD21 ASN A 30 22.758 0.593 0.259 1.00 0.43 H new ATOM 0 HD22 ASN A 30 22.503 1.738 1.580 1.00 0.43 H new ATOM 478 N LYS A 31 20.628 -1.219 -1.795 1.00 0.35 N ATOM 479 CA LYS A 31 20.469 -2.630 -1.458 1.00 0.34 C ATOM 480 C LYS A 31 20.721 -2.879 0.027 1.00 0.31 C ATOM 481 O LYS A 31 20.026 -3.679 0.655 1.00 0.31 O ATOM 482 CB LYS A 31 21.405 -3.516 -2.277 1.00 0.41 C ATOM 483 CG LYS A 31 21.141 -3.521 -3.773 1.00 0.68 C ATOM 484 CD LYS A 31 21.830 -4.701 -4.441 1.00 0.71 C ATOM 485 CE LYS A 31 21.747 -4.611 -5.954 1.00 1.15 C ATOM 486 NZ LYS A 31 22.554 -3.483 -6.489 1.00 1.99 N ATOM 0 H LYS A 31 21.289 -1.030 -2.548 1.00 0.35 H new ATOM 0 HA LYS A 31 19.438 -2.890 -1.697 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.431 -3.190 -2.106 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.329 -4.538 -1.907 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.068 -3.570 -3.957 1.00 0.68 H new ATOM 0 HG3 LYS A 31 21.498 -2.590 -4.213 1.00 0.68 H new ATOM 0 HD2 LYS A 31 22.875 -4.734 -4.134 1.00 0.71 H new ATOM 0 HD3 LYS A 31 21.370 -5.630 -4.105 1.00 0.71 H new ATOM 0 HE2 LYS A 31 22.095 -5.546 -6.393 1.00 1.15 H new ATOM 0 HE3 LYS A 31 20.706 -4.487 -6.253 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 22.100 -3.107 -7.345 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 22.618 -2.732 -5.773 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 23.509 -3.820 -6.724 1.00 1.99 H new ATOM 500 N SER A 32 21.711 -2.181 0.581 1.00 0.34 N ATOM 501 CA SER A 32 22.031 -2.299 1.996 1.00 0.37 C ATOM 502 C SER A 32 20.822 -1.920 2.841 1.00 0.34 C ATOM 503 O SER A 32 20.381 -2.688 3.694 1.00 0.38 O ATOM 504 CB SER A 32 23.223 -1.400 2.353 1.00 0.45 C ATOM 505 OG SER A 32 23.586 -1.546 3.719 1.00 1.33 O ATOM 0 H SER A 32 22.304 -1.528 0.068 1.00 0.34 H new ATOM 0 HA SER A 32 22.299 -3.335 2.205 1.00 0.37 H new ATOM 0 HB2 SER A 32 24.074 -1.651 1.719 1.00 0.45 H new ATOM 0 HB3 SER A 32 22.970 -0.359 2.150 1.00 0.45 H new ATOM 0 HG SER A 32 24.349 -0.964 3.919 1.00 1.33 H new ATOM 511 N GLU A 33 20.276 -0.744 2.571 1.00 0.32 N ATOM 512 CA GLU A 33 19.142 -0.235 3.321 1.00 0.35 C ATOM 513 C GLU A 33 17.905 -1.075 3.067 1.00 0.30 C ATOM 514 O GLU A 33 17.133 -1.340 3.987 1.00 0.32 O ATOM 515 CB GLU A 33 18.867 1.204 2.932 1.00 0.45 C ATOM 516 CG GLU A 33 20.054 2.114 3.116 1.00 0.59 C ATOM 517 CD GLU A 33 19.679 3.552 2.891 1.00 1.50 C ATOM 518 OE1 GLU A 33 19.005 3.829 1.881 1.00 2.32 O ATOM 519 OE2 GLU A 33 20.037 4.397 3.732 1.00 2.15 O ATOM 0 H GLU A 33 20.604 -0.122 1.832 1.00 0.32 H new ATOM 0 HA GLU A 33 19.386 -0.286 4.382 1.00 0.35 H new ATOM 0 HB2 GLU A 33 18.553 1.236 1.889 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.035 1.580 3.527 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.455 1.994 4.122 1.00 0.59 H new ATOM 0 HG3 GLU A 33 20.845 1.829 2.422 1.00 0.59 H new ATOM 526 N LEU A 34 17.720 -1.477 1.813 1.00 0.30 N ATOM 527 CA LEU A 34 16.618 -2.338 1.432 1.00 0.33 C ATOM 528 C LEU A 34 16.604 -3.582 2.307 1.00 0.29 C ATOM 529 O LEU A 34 15.591 -3.911 2.920 1.00 0.30 O ATOM 530 CB LEU A 34 16.753 -2.751 -0.033 1.00 0.50 C ATOM 531 CG LEU A 34 15.604 -3.603 -0.566 1.00 0.51 C ATOM 532 CD1 LEU A 34 14.363 -2.747 -0.744 1.00 1.01 C ATOM 533 CD2 LEU A 34 15.997 -4.270 -1.872 1.00 0.55 C ATOM 0 H LEU A 34 18.330 -1.213 1.039 1.00 0.30 H new ATOM 0 HA LEU A 34 15.686 -1.789 1.566 1.00 0.33 H new ATOM 0 HB2 LEU A 34 16.834 -1.852 -0.644 1.00 0.50 H new ATOM 0 HB3 LEU A 34 17.684 -3.304 -0.156 1.00 0.50 H new ATOM 0 HG LEU A 34 15.381 -4.388 0.157 1.00 0.51 H new ATOM 0 HD11 LEU A 34 13.548 -3.363 -1.125 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.076 -2.318 0.216 1.00 1.01 H new ATOM 0 HD13 LEU A 34 14.573 -1.945 -1.452 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.166 -4.873 -2.237 1.00 0.55 H new ATOM 0 HD22 LEU A 34 16.244 -3.507 -2.610 1.00 0.55 H new ATOM 0 HD23 LEU A 34 16.864 -4.909 -1.707 1.00 0.55 H new ATOM 545 N LYS A 35 17.750 -4.258 2.365 1.00 0.29 N ATOM 546 CA LYS A 35 17.908 -5.451 3.188 1.00 0.29 C ATOM 547 C LYS A 35 17.507 -5.194 4.625 1.00 0.29 C ATOM 548 O LYS A 35 16.675 -5.904 5.188 1.00 0.31 O ATOM 549 CB LYS A 35 19.356 -5.935 3.166 1.00 0.32 C ATOM 550 CG LYS A 35 19.731 -6.674 1.902 1.00 0.39 C ATOM 551 CD LYS A 35 21.218 -6.962 1.845 1.00 0.52 C ATOM 552 CE LYS A 35 21.544 -7.992 0.779 1.00 0.70 C ATOM 553 NZ LYS A 35 23.011 -8.190 0.641 1.00 1.29 N ATOM 0 H LYS A 35 18.588 -3.995 1.846 1.00 0.29 H new ATOM 0 HA LYS A 35 17.254 -6.214 2.767 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.018 -5.077 3.285 1.00 0.32 H new ATOM 0 HB3 LYS A 35 19.524 -6.589 4.022 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.176 -7.611 1.849 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.441 -6.082 1.034 1.00 0.39 H new ATOM 0 HD2 LYS A 35 21.761 -6.039 1.639 1.00 0.52 H new ATOM 0 HD3 LYS A 35 21.558 -7.322 2.816 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.070 -8.941 1.032 1.00 0.70 H new ATOM 0 HE3 LYS A 35 21.128 -7.672 -0.176 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 23.208 -8.738 -0.221 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 23.482 -7.265 0.578 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 23.371 -8.706 1.469 1.00 1.29 H new ATOM 567 N GLU A 36 18.099 -4.173 5.212 1.00 0.29 N ATOM 568 CA GLU A 36 17.908 -3.896 6.619 1.00 0.32 C ATOM 569 C GLU A 36 16.476 -3.507 6.912 1.00 0.31 C ATOM 570 O GLU A 36 15.895 -3.988 7.869 1.00 0.39 O ATOM 571 CB GLU A 36 18.879 -2.823 7.069 1.00 0.36 C ATOM 572 CG GLU A 36 20.299 -3.212 6.734 1.00 0.37 C ATOM 573 CD GLU A 36 21.319 -2.154 7.087 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.400 -1.140 6.369 1.00 1.14 O ATOM 575 OE2 GLU A 36 22.049 -2.332 8.086 1.00 1.31 O ATOM 0 H GLU A 36 18.719 -3.520 4.733 1.00 0.29 H new ATOM 0 HA GLU A 36 18.112 -4.805 7.185 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.633 -1.877 6.586 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.784 -2.667 8.144 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.548 -4.133 7.260 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.365 -3.426 5.667 1.00 0.37 H new ATOM 582 N LEU A 37 15.904 -2.656 6.082 1.00 0.27 N ATOM 583 CA LEU A 37 14.506 -2.299 6.232 1.00 0.26 C ATOM 584 C LEU A 37 13.646 -3.553 6.131 1.00 0.27 C ATOM 585 O LEU A 37 12.882 -3.857 7.033 1.00 0.31 O ATOM 586 CB LEU A 37 14.100 -1.280 5.163 1.00 0.24 C ATOM 587 CG LEU A 37 12.741 -0.597 5.379 1.00 0.31 C ATOM 588 CD1 LEU A 37 12.645 0.671 4.553 1.00 0.29 C ATOM 589 CD2 LEU A 37 11.602 -1.532 5.012 1.00 0.50 C ATOM 0 H LEU A 37 16.381 -2.202 5.303 1.00 0.27 H new ATOM 0 HA LEU A 37 14.355 -1.844 7.211 1.00 0.26 H new ATOM 0 HB2 LEU A 37 14.869 -0.510 5.110 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.085 -1.782 4.196 1.00 0.24 H new ATOM 0 HG LEU A 37 12.660 -0.342 6.436 1.00 0.31 H new ATOM 0 HD11 LEU A 37 11.676 1.141 4.719 1.00 0.29 H new ATOM 0 HD12 LEU A 37 13.437 1.359 4.849 1.00 0.29 H new ATOM 0 HD13 LEU A 37 12.753 0.426 3.496 1.00 0.29 H new ATOM 0 HD21 LEU A 37 10.650 -1.026 5.173 1.00 0.50 H new ATOM 0 HD22 LEU A 37 11.689 -1.817 3.963 1.00 0.50 H new ATOM 0 HD23 LEU A 37 11.649 -2.425 5.636 1.00 0.50 H new ATOM 601 N LEU A 38 13.802 -4.288 5.041 1.00 0.27 N ATOM 602 CA LEU A 38 13.014 -5.491 4.804 1.00 0.29 C ATOM 603 C LEU A 38 13.095 -6.459 5.979 1.00 0.31 C ATOM 604 O LEU A 38 12.085 -6.814 6.566 1.00 0.40 O ATOM 605 CB LEU A 38 13.489 -6.182 3.529 1.00 0.32 C ATOM 606 CG LEU A 38 12.665 -5.886 2.276 1.00 0.34 C ATOM 607 CD1 LEU A 38 11.280 -6.485 2.414 1.00 0.31 C ATOM 608 CD2 LEU A 38 12.572 -4.390 2.021 1.00 0.43 C ATOM 0 H LEU A 38 14.471 -4.072 4.302 1.00 0.27 H new ATOM 0 HA LEU A 38 11.973 -5.189 4.691 1.00 0.29 H new ATOM 0 HB2 LEU A 38 14.522 -5.890 3.341 1.00 0.32 H new ATOM 0 HB3 LEU A 38 13.488 -7.259 3.698 1.00 0.32 H new ATOM 0 HG LEU A 38 13.167 -6.340 1.421 1.00 0.34 H new ATOM 0 HD11 LEU A 38 10.699 -6.270 1.517 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.362 -7.564 2.543 1.00 0.31 H new ATOM 0 HD13 LEU A 38 10.781 -6.053 3.281 1.00 0.31 H new ATOM 0 HD21 LEU A 38 11.980 -4.210 1.124 1.00 0.43 H new ATOM 0 HD22 LEU A 38 12.096 -3.905 2.873 1.00 0.43 H new ATOM 0 HD23 LEU A 38 13.573 -3.981 1.883 1.00 0.43 H new ATOM 620 N THR A 39 14.299 -6.882 6.306 1.00 0.32 N ATOM 621 CA THR A 39 14.523 -7.798 7.421 1.00 0.33 C ATOM 622 C THR A 39 13.987 -7.265 8.758 1.00 0.34 C ATOM 623 O THR A 39 13.442 -8.019 9.564 1.00 0.38 O ATOM 624 CB THR A 39 16.024 -8.092 7.574 1.00 0.33 C ATOM 625 OG1 THR A 39 16.747 -6.873 7.799 1.00 0.32 O ATOM 626 CG2 THR A 39 16.567 -8.757 6.325 1.00 0.35 C ATOM 0 H THR A 39 15.149 -6.606 5.814 1.00 0.32 H new ATOM 0 HA THR A 39 13.972 -8.708 7.181 1.00 0.33 H new ATOM 0 HB THR A 39 16.151 -8.760 8.426 1.00 0.33 H new ATOM 0 HG1 THR A 39 16.784 -6.356 6.967 1.00 0.32 H new ATOM 0 HG21 THR A 39 17.631 -8.957 6.453 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.039 -9.695 6.154 1.00 0.35 H new ATOM 0 HG23 THR A 39 16.422 -8.098 5.469 1.00 0.35 H new ATOM 634 N ARG A 40 14.145 -5.969 8.981 1.00 0.34 N ATOM 635 CA ARG A 40 13.843 -5.355 10.275 1.00 0.37 C ATOM 636 C ARG A 40 12.380 -4.939 10.408 1.00 0.40 C ATOM 637 O ARG A 40 11.794 -5.056 11.488 1.00 0.47 O ATOM 638 CB ARG A 40 14.777 -4.159 10.492 1.00 0.37 C ATOM 639 CG ARG A 40 16.167 -4.568 10.948 1.00 0.63 C ATOM 640 CD ARG A 40 17.160 -3.421 10.843 1.00 0.56 C ATOM 641 NE ARG A 40 16.869 -2.335 11.778 1.00 1.16 N ATOM 642 CZ ARG A 40 17.619 -2.043 12.839 1.00 1.51 C ATOM 643 NH1 ARG A 40 18.636 -2.825 13.177 1.00 1.62 N ATOM 644 NH2 ARG A 40 17.339 -0.975 13.573 1.00 2.31 N ATOM 0 H ARG A 40 14.484 -5.313 8.278 1.00 0.34 H new ATOM 0 HA ARG A 40 14.012 -6.103 11.049 1.00 0.37 H new ATOM 0 HB2 ARG A 40 14.857 -3.594 9.563 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.338 -3.492 11.234 1.00 0.37 H new ATOM 0 HG2 ARG A 40 16.122 -4.916 11.980 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.515 -5.406 10.344 1.00 0.63 H new ATOM 0 HD2 ARG A 40 18.165 -3.798 11.032 1.00 0.56 H new ATOM 0 HD3 ARG A 40 17.152 -3.031 9.825 1.00 0.56 H new ATOM 0 HE ARG A 40 16.040 -1.766 11.607 1.00 1.16 H new ATOM 0 HH11 ARG A 40 18.847 -3.655 12.623 1.00 1.62 H new ATOM 0 HH12 ARG A 40 19.207 -2.596 13.991 1.00 1.62 H new ATOM 0 HH21 ARG A 40 16.550 -0.378 13.325 1.00 2.31 H new ATOM 0 HH22 ARG A 40 17.913 -0.750 14.386 1.00 2.31 H new ATOM 658 N GLU A 41 11.790 -4.463 9.327 1.00 0.40 N ATOM 659 CA GLU A 41 10.423 -3.971 9.362 1.00 0.46 C ATOM 660 C GLU A 41 9.457 -5.029 8.832 1.00 0.54 C ATOM 661 O GLU A 41 8.317 -5.137 9.279 1.00 0.85 O ATOM 662 CB GLU A 41 10.324 -2.701 8.520 1.00 0.52 C ATOM 663 CG GLU A 41 11.486 -1.723 8.720 1.00 0.53 C ATOM 664 CD GLU A 41 11.651 -1.227 10.147 1.00 0.51 C ATOM 665 OE1 GLU A 41 12.226 -1.950 10.986 1.00 1.30 O ATOM 666 OE2 GLU A 41 11.251 -0.084 10.442 1.00 1.02 O ATOM 0 H GLU A 41 12.236 -4.406 8.412 1.00 0.40 H new ATOM 0 HA GLU A 41 10.151 -3.748 10.394 1.00 0.46 H new ATOM 0 HB2 GLU A 41 10.275 -2.979 7.467 1.00 0.52 H new ATOM 0 HB3 GLU A 41 9.390 -2.192 8.759 1.00 0.52 H new ATOM 0 HG2 GLU A 41 12.411 -2.208 8.408 1.00 0.53 H new ATOM 0 HG3 GLU A 41 11.339 -0.865 8.065 1.00 0.53 H new ATOM 673 N LEU A 42 9.933 -5.855 7.916 1.00 0.40 N ATOM 674 CA LEU A 42 9.108 -6.908 7.335 1.00 0.41 C ATOM 675 C LEU A 42 9.717 -8.297 7.559 1.00 0.37 C ATOM 676 O LEU A 42 9.946 -9.034 6.596 1.00 0.36 O ATOM 677 CB LEU A 42 8.936 -6.659 5.836 1.00 0.44 C ATOM 678 CG LEU A 42 8.053 -5.469 5.466 1.00 0.50 C ATOM 679 CD1 LEU A 42 8.405 -4.964 4.080 1.00 0.65 C ATOM 680 CD2 LEU A 42 6.585 -5.864 5.520 1.00 0.74 C ATOM 0 H LEU A 42 10.887 -5.819 7.556 1.00 0.40 H new ATOM 0 HA LEU A 42 8.138 -6.884 7.832 1.00 0.41 H new ATOM 0 HB2 LEU A 42 9.921 -6.510 5.394 1.00 0.44 H new ATOM 0 HB3 LEU A 42 8.516 -7.556 5.382 1.00 0.44 H new ATOM 0 HG LEU A 42 8.228 -4.670 6.186 1.00 0.50 H new ATOM 0 HD11 LEU A 42 7.768 -4.116 3.829 1.00 0.65 H new ATOM 0 HD12 LEU A 42 9.449 -4.652 4.061 1.00 0.65 H new ATOM 0 HD13 LEU A 42 8.251 -5.761 3.352 1.00 0.65 H new ATOM 0 HD21 LEU A 42 5.967 -5.006 5.254 1.00 0.74 H new ATOM 0 HD22 LEU A 42 6.401 -6.676 4.817 1.00 0.74 H new ATOM 0 HD23 LEU A 42 6.334 -6.193 6.528 1.00 0.74 H new ATOM 692 N PRO A 43 9.975 -8.685 8.829 1.00 0.40 N ATOM 693 CA PRO A 43 10.559 -9.992 9.156 1.00 0.44 C ATOM 694 C PRO A 43 9.784 -11.145 8.550 1.00 0.45 C ATOM 695 O PRO A 43 10.356 -12.170 8.200 1.00 0.49 O ATOM 696 CB PRO A 43 10.446 -10.068 10.674 1.00 0.51 C ATOM 697 CG PRO A 43 10.433 -8.656 11.129 1.00 0.48 C ATOM 698 CD PRO A 43 9.743 -7.878 10.045 1.00 0.44 C ATOM 0 HA PRO A 43 11.575 -10.074 8.770 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.537 -10.589 10.977 1.00 0.51 H new ATOM 0 HB3 PRO A 43 11.285 -10.614 11.105 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.905 -8.557 12.077 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.447 -8.288 11.289 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.679 -7.762 10.251 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.159 -6.876 9.945 1.00 0.44 H new ATOM 706 N SER A 44 8.481 -10.973 8.447 1.00 0.45 N ATOM 707 CA SER A 44 7.615 -12.010 7.929 1.00 0.47 C ATOM 708 C SER A 44 7.788 -12.164 6.416 1.00 0.44 C ATOM 709 O SER A 44 7.987 -13.281 5.913 1.00 0.45 O ATOM 710 CB SER A 44 6.167 -11.689 8.285 1.00 0.51 C ATOM 711 OG SER A 44 5.293 -12.746 7.935 1.00 0.59 O ATOM 0 H SER A 44 7.997 -10.117 8.718 1.00 0.45 H new ATOM 0 HA SER A 44 7.889 -12.961 8.386 1.00 0.47 H new ATOM 0 HB2 SER A 44 6.090 -11.493 9.355 1.00 0.51 H new ATOM 0 HB3 SER A 44 5.860 -10.778 7.771 1.00 0.51 H new ATOM 0 HG SER A 44 4.375 -12.506 8.179 1.00 0.59 H new ATOM 717 N PHE A 45 7.773 -11.030 5.705 1.00 0.42 N ATOM 718 CA PHE A 45 7.782 -11.035 4.243 1.00 0.41 C ATOM 719 C PHE A 45 8.968 -11.824 3.708 1.00 0.42 C ATOM 720 O PHE A 45 8.801 -12.818 3.000 1.00 0.46 O ATOM 721 CB PHE A 45 7.813 -9.616 3.673 1.00 0.45 C ATOM 722 CG PHE A 45 7.663 -9.610 2.176 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.455 -9.956 1.591 1.00 1.81 C ATOM 724 CD2 PHE A 45 8.733 -9.298 1.355 1.00 1.83 C ATOM 725 CE1 PHE A 45 6.316 -9.982 0.218 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.601 -9.328 -0.019 1.00 2.38 C ATOM 727 CZ PHE A 45 7.391 -9.668 -0.588 1.00 2.41 C ATOM 0 H PHE A 45 7.755 -10.099 6.121 1.00 0.42 H new ATOM 0 HA PHE A 45 6.858 -11.516 3.922 1.00 0.41 H new ATOM 0 HB2 PHE A 45 7.012 -9.027 4.121 1.00 0.45 H new ATOM 0 HB3 PHE A 45 8.753 -9.136 3.946 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.612 -10.208 2.217 1.00 1.81 H new ATOM 0 HD2 PHE A 45 9.682 -9.028 1.794 1.00 1.83 H new ATOM 0 HE1 PHE A 45 5.367 -10.248 -0.225 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.445 -9.085 -0.648 1.00 2.38 H new ATOM 0 HZ PHE A 45 7.285 -9.688 -1.663 1.00 2.41 H new ATOM 737 N LEU A 46 10.165 -11.381 4.050 1.00 0.45 N ATOM 738 CA LEU A 46 11.360 -12.063 3.595 1.00 0.57 C ATOM 739 C LEU A 46 11.802 -13.122 4.583 1.00 0.65 C ATOM 740 O LEU A 46 12.760 -13.843 4.337 1.00 0.66 O ATOM 741 CB LEU A 46 12.486 -11.082 3.321 1.00 0.67 C ATOM 742 CG LEU A 46 12.272 -10.191 2.104 1.00 0.57 C ATOM 743 CD1 LEU A 46 13.506 -9.362 1.859 1.00 0.71 C ATOM 744 CD2 LEU A 46 11.927 -11.020 0.870 1.00 0.55 C ATOM 0 H LEU A 46 10.333 -10.562 4.634 1.00 0.45 H new ATOM 0 HA LEU A 46 11.111 -12.561 2.658 1.00 0.57 H new ATOM 0 HB2 LEU A 46 12.620 -10.449 4.198 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.412 -11.641 3.187 1.00 0.67 H new ATOM 0 HG LEU A 46 11.430 -9.528 2.302 1.00 0.57 H new ATOM 0 HD11 LEU A 46 13.350 -8.726 0.988 1.00 0.71 H new ATOM 0 HD12 LEU A 46 13.706 -8.740 2.732 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.357 -10.020 1.680 1.00 0.71 H new ATOM 0 HD21 LEU A 46 11.780 -10.358 0.017 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.742 -11.711 0.657 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.012 -11.583 1.054 1.00 0.55 H new ATOM 756 N GLY A 47 11.101 -13.226 5.699 1.00 0.74 N ATOM 757 CA GLY A 47 11.315 -14.352 6.584 1.00 0.90 C ATOM 758 C GLY A 47 11.067 -15.637 5.840 1.00 0.89 C ATOM 759 O GLY A 47 11.658 -16.676 6.136 1.00 0.99 O ATOM 0 H GLY A 47 10.394 -12.559 6.007 1.00 0.74 H new ATOM 0 HA2 GLY A 47 12.334 -14.335 6.970 1.00 0.90 H new ATOM 0 HA3 GLY A 47 10.648 -14.283 7.443 1.00 0.90 H new ATOM 763 N LYS A 48 10.181 -15.543 4.858 1.00 0.79 N ATOM 764 CA LYS A 48 9.937 -16.633 3.931 1.00 0.82 C ATOM 765 C LYS A 48 11.080 -16.819 2.934 1.00 0.78 C ATOM 766 O LYS A 48 11.357 -17.941 2.514 1.00 0.87 O ATOM 767 CB LYS A 48 8.666 -16.368 3.141 1.00 0.82 C ATOM 768 CG LYS A 48 7.378 -16.537 3.934 1.00 1.08 C ATOM 769 CD LYS A 48 7.132 -17.985 4.334 1.00 1.51 C ATOM 770 CE LYS A 48 6.944 -18.884 3.121 1.00 2.27 C ATOM 771 NZ LYS A 48 6.603 -20.277 3.510 1.00 3.17 N ATOM 0 H LYS A 48 9.615 -14.712 4.684 1.00 0.79 H new ATOM 0 HA LYS A 48 9.847 -17.538 4.532 1.00 0.82 H new ATOM 0 HB2 LYS A 48 8.704 -15.352 2.748 1.00 0.82 H new ATOM 0 HB3 LYS A 48 8.640 -17.041 2.284 1.00 0.82 H new ATOM 0 HG2 LYS A 48 7.421 -15.917 4.830 1.00 1.08 H new ATOM 0 HG3 LYS A 48 6.538 -16.179 3.339 1.00 1.08 H new ATOM 0 HD2 LYS A 48 7.973 -18.346 4.927 1.00 1.51 H new ATOM 0 HD3 LYS A 48 6.247 -18.041 4.968 1.00 1.51 H new ATOM 0 HE2 LYS A 48 6.153 -18.480 2.489 1.00 2.27 H new ATOM 0 HE3 LYS A 48 7.857 -18.887 2.526 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 6.483 -20.857 2.655 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 7.369 -20.672 4.092 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 5.718 -20.278 4.056 1.00 3.17 H new ATOM 785 N ARG A 49 11.737 -15.731 2.549 1.00 0.73 N ATOM 786 CA ARG A 49 12.698 -15.788 1.455 1.00 0.81 C ATOM 787 C ARG A 49 13.735 -14.672 1.558 1.00 0.74 C ATOM 788 O ARG A 49 13.631 -13.648 0.884 1.00 1.00 O ATOM 789 CB ARG A 49 11.957 -15.699 0.112 1.00 0.95 C ATOM 790 CG ARG A 49 12.638 -16.427 -1.045 1.00 1.17 C ATOM 791 CD ARG A 49 14.044 -15.913 -1.308 1.00 1.02 C ATOM 792 NE ARG A 49 14.613 -16.461 -2.537 1.00 1.61 N ATOM 793 CZ ARG A 49 15.694 -17.242 -2.590 1.00 1.87 C ATOM 794 NH1 ARG A 49 16.278 -17.663 -1.475 1.00 2.14 N ATOM 795 NH2 ARG A 49 16.176 -17.621 -3.767 1.00 2.50 N ATOM 0 H ARG A 49 11.624 -14.810 2.972 1.00 0.73 H new ATOM 0 HA ARG A 49 13.229 -16.738 1.519 1.00 0.81 H new ATOM 0 HB2 ARG A 49 10.954 -16.106 0.239 1.00 0.95 H new ATOM 0 HB3 ARG A 49 11.843 -14.648 -0.155 1.00 0.95 H new ATOM 0 HG2 ARG A 49 12.680 -17.494 -0.825 1.00 1.17 H new ATOM 0 HG3 ARG A 49 12.037 -16.311 -1.947 1.00 1.17 H new ATOM 0 HD2 ARG A 49 14.025 -14.825 -1.373 1.00 1.02 H new ATOM 0 HD3 ARG A 49 14.686 -16.171 -0.466 1.00 1.02 H new ATOM 0 HE ARG A 49 14.151 -16.230 -3.417 1.00 1.61 H new ATOM 0 HH11 ARG A 49 15.901 -17.390 -0.567 1.00 2.14 H new ATOM 0 HH12 ARG A 49 17.104 -18.260 -1.526 1.00 2.14 H new ATOM 0 HH21 ARG A 49 15.721 -17.315 -4.627 1.00 2.50 H new ATOM 0 HH22 ARG A 49 17.002 -18.218 -3.812 1.00 2.50 H new ATOM 809 N THR A 50 14.735 -14.873 2.396 1.00 0.76 N ATOM 810 CA THR A 50 15.862 -13.948 2.461 1.00 0.73 C ATOM 811 C THR A 50 17.060 -14.492 1.699 1.00 0.82 C ATOM 812 O THR A 50 17.531 -15.601 1.959 1.00 1.33 O ATOM 813 CB THR A 50 16.300 -13.626 3.904 1.00 0.74 C ATOM 814 OG1 THR A 50 16.268 -14.810 4.714 1.00 0.84 O ATOM 815 CG2 THR A 50 15.421 -12.551 4.518 1.00 0.63 C ATOM 0 H THR A 50 14.794 -15.662 3.039 1.00 0.76 H new ATOM 0 HA THR A 50 15.509 -13.025 2.001 1.00 0.73 H new ATOM 0 HB THR A 50 17.322 -13.250 3.866 1.00 0.74 H new ATOM 0 HG1 THR A 50 16.550 -14.590 5.626 1.00 0.84 H new ATOM 0 HG21 THR A 50 15.754 -12.346 5.535 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.490 -11.641 3.923 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.387 -12.894 4.537 1.00 0.63 H new ATOM 823 N ASP A 51 17.528 -13.711 0.743 1.00 0.57 N ATOM 824 CA ASP A 51 18.728 -14.032 -0.012 1.00 0.62 C ATOM 825 C ASP A 51 19.191 -12.776 -0.719 1.00 0.58 C ATOM 826 O ASP A 51 18.359 -11.983 -1.146 1.00 0.55 O ATOM 827 CB ASP A 51 18.456 -15.133 -1.042 1.00 0.69 C ATOM 828 CG ASP A 51 19.726 -15.696 -1.652 1.00 1.26 C ATOM 829 OD1 ASP A 51 20.356 -15.012 -2.486 1.00 2.01 O ATOM 830 OD2 ASP A 51 20.095 -16.837 -1.304 1.00 1.78 O ATOM 0 H ASP A 51 17.087 -12.834 0.467 1.00 0.57 H new ATOM 0 HA ASP A 51 19.495 -14.397 0.670 1.00 0.62 H new ATOM 0 HB2 ASP A 51 17.899 -15.940 -0.566 1.00 0.69 H new ATOM 0 HB3 ASP A 51 17.824 -14.734 -1.835 1.00 0.69 H new ATOM 835 N GLU A 52 20.493 -12.578 -0.831 1.00 0.67 N ATOM 836 CA GLU A 52 21.020 -11.389 -1.498 1.00 0.71 C ATOM 837 C GLU A 52 20.475 -11.280 -2.913 1.00 0.67 C ATOM 838 O GLU A 52 20.151 -10.190 -3.384 1.00 0.63 O ATOM 839 CB GLU A 52 22.543 -11.408 -1.522 1.00 0.87 C ATOM 840 CG GLU A 52 23.145 -11.429 -0.136 1.00 0.95 C ATOM 841 CD GLU A 52 24.636 -11.194 -0.144 1.00 1.31 C ATOM 842 OE1 GLU A 52 25.051 -10.030 -0.315 1.00 1.81 O ATOM 843 OE2 GLU A 52 25.400 -12.163 0.025 1.00 1.91 O ATOM 0 H GLU A 52 21.204 -13.216 -0.474 1.00 0.67 H new ATOM 0 HA GLU A 52 20.695 -10.517 -0.931 1.00 0.71 H new ATOM 0 HB2 GLU A 52 22.883 -12.283 -2.075 1.00 0.87 H new ATOM 0 HB3 GLU A 52 22.905 -10.531 -2.058 1.00 0.87 H new ATOM 0 HG2 GLU A 52 22.664 -10.666 0.476 1.00 0.95 H new ATOM 0 HG3 GLU A 52 22.936 -12.391 0.332 1.00 0.95 H new ATOM 850 N ALA A 53 20.339 -12.422 -3.570 1.00 0.71 N ATOM 851 CA ALA A 53 19.766 -12.466 -4.906 1.00 0.76 C ATOM 852 C ALA A 53 18.293 -12.077 -4.858 1.00 0.66 C ATOM 853 O ALA A 53 17.792 -11.399 -5.750 1.00 0.69 O ATOM 854 CB ALA A 53 19.936 -13.846 -5.518 1.00 0.91 C ATOM 0 H ALA A 53 20.618 -13.330 -3.199 1.00 0.71 H new ATOM 0 HA ALA A 53 20.295 -11.750 -5.535 1.00 0.76 H new ATOM 0 HB1 ALA A 53 19.500 -13.857 -6.517 1.00 0.91 H new ATOM 0 HB2 ALA A 53 20.997 -14.087 -5.582 1.00 0.91 H new ATOM 0 HB3 ALA A 53 19.433 -14.585 -4.895 1.00 0.91 H new ATOM 860 N ALA A 54 17.615 -12.482 -3.793 1.00 0.60 N ATOM 861 CA ALA A 54 16.205 -12.181 -3.616 1.00 0.59 C ATOM 862 C ALA A 54 16.005 -10.703 -3.328 1.00 0.48 C ATOM 863 O ALA A 54 15.024 -10.114 -3.765 1.00 0.46 O ATOM 864 CB ALA A 54 15.613 -13.024 -2.500 1.00 0.64 C ATOM 0 H ALA A 54 18.025 -13.025 -3.033 1.00 0.60 H new ATOM 0 HA ALA A 54 15.686 -12.424 -4.543 1.00 0.59 H new ATOM 0 HB1 ALA A 54 14.556 -12.783 -2.384 1.00 0.64 H new ATOM 0 HB2 ALA A 54 15.720 -14.080 -2.746 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.138 -12.814 -1.568 1.00 0.64 H new ATOM 870 N PHE A 55 16.932 -10.110 -2.582 1.00 0.46 N ATOM 871 CA PHE A 55 16.913 -8.672 -2.346 1.00 0.42 C ATOM 872 C PHE A 55 17.171 -7.923 -3.642 1.00 0.44 C ATOM 873 O PHE A 55 16.539 -6.913 -3.915 1.00 0.45 O ATOM 874 CB PHE A 55 17.954 -8.266 -1.305 1.00 0.44 C ATOM 875 CG PHE A 55 17.590 -8.636 0.103 1.00 1.06 C ATOM 876 CD1 PHE A 55 16.740 -7.835 0.844 1.00 1.87 C ATOM 877 CD2 PHE A 55 18.103 -9.779 0.690 1.00 1.98 C ATOM 878 CE1 PHE A 55 16.411 -8.167 2.143 1.00 2.70 C ATOM 879 CE2 PHE A 55 17.777 -10.117 1.988 1.00 2.77 C ATOM 880 CZ PHE A 55 16.930 -9.311 2.715 1.00 2.95 C ATOM 0 H PHE A 55 17.704 -10.602 -2.132 1.00 0.46 H new ATOM 0 HA PHE A 55 15.925 -8.412 -1.965 1.00 0.42 H new ATOM 0 HB2 PHE A 55 18.906 -8.733 -1.557 1.00 0.44 H new ATOM 0 HB3 PHE A 55 18.104 -7.188 -1.359 1.00 0.44 H new ATOM 0 HD1 PHE A 55 16.329 -6.940 0.401 1.00 1.87 H new ATOM 0 HD2 PHE A 55 18.768 -10.416 0.125 1.00 1.98 H new ATOM 0 HE1 PHE A 55 15.748 -7.532 2.711 1.00 2.70 H new ATOM 0 HE2 PHE A 55 18.186 -11.012 2.433 1.00 2.77 H new ATOM 0 HZ PHE A 55 16.672 -9.573 3.730 1.00 2.95 H new ATOM 890 N GLN A 56 18.113 -8.429 -4.427 1.00 0.49 N ATOM 891 CA GLN A 56 18.405 -7.883 -5.748 1.00 0.54 C ATOM 892 C GLN A 56 17.148 -7.927 -6.610 1.00 0.53 C ATOM 893 O GLN A 56 16.707 -6.907 -7.142 1.00 0.57 O ATOM 894 CB GLN A 56 19.533 -8.709 -6.383 1.00 0.62 C ATOM 895 CG GLN A 56 20.102 -8.156 -7.685 1.00 0.76 C ATOM 896 CD GLN A 56 19.230 -8.430 -8.895 1.00 0.98 C ATOM 897 OE1 GLN A 56 19.314 -9.496 -9.502 1.00 1.69 O ATOM 898 NE2 GLN A 56 18.417 -7.460 -9.274 1.00 0.87 N ATOM 0 H GLN A 56 18.695 -9.226 -4.169 1.00 0.49 H new ATOM 0 HA GLN A 56 18.725 -6.844 -5.667 1.00 0.54 H new ATOM 0 HB2 GLN A 56 20.345 -8.797 -5.661 1.00 0.62 H new ATOM 0 HB3 GLN A 56 19.161 -9.716 -6.569 1.00 0.62 H new ATOM 0 HG2 GLN A 56 20.239 -7.079 -7.583 1.00 0.76 H new ATOM 0 HG3 GLN A 56 21.088 -8.589 -7.853 1.00 0.76 H new ATOM 0 HE21 GLN A 56 18.378 -6.591 -8.742 1.00 0.87 H new ATOM 0 HE22 GLN A 56 17.829 -7.581 -10.098 1.00 0.87 H new ATOM 907 N LYS A 57 16.585 -9.120 -6.737 1.00 0.51 N ATOM 908 CA LYS A 57 15.370 -9.330 -7.513 1.00 0.52 C ATOM 909 C LYS A 57 14.233 -8.450 -7.005 1.00 0.48 C ATOM 910 O LYS A 57 13.599 -7.749 -7.787 1.00 0.48 O ATOM 911 CB LYS A 57 14.958 -10.805 -7.474 1.00 0.55 C ATOM 912 CG LYS A 57 15.125 -11.519 -8.809 1.00 0.76 C ATOM 913 CD LYS A 57 16.561 -11.472 -9.311 1.00 1.01 C ATOM 914 CE LYS A 57 17.483 -12.367 -8.498 1.00 0.87 C ATOM 915 NZ LYS A 57 18.884 -12.302 -8.995 1.00 1.60 N ATOM 0 H LYS A 57 16.956 -9.967 -6.307 1.00 0.51 H new ATOM 0 HA LYS A 57 15.579 -9.050 -8.545 1.00 0.52 H new ATOM 0 HB2 LYS A 57 15.552 -11.320 -6.719 1.00 0.55 H new ATOM 0 HB3 LYS A 57 13.916 -10.875 -7.162 1.00 0.55 H new ATOM 0 HG2 LYS A 57 14.812 -12.558 -8.705 1.00 0.76 H new ATOM 0 HG3 LYS A 57 14.468 -11.061 -9.549 1.00 0.76 H new ATOM 0 HD2 LYS A 57 16.589 -11.779 -10.357 1.00 1.01 H new ATOM 0 HD3 LYS A 57 16.925 -10.445 -9.270 1.00 1.01 H new ATOM 0 HE2 LYS A 57 17.453 -12.066 -7.451 1.00 0.87 H new ATOM 0 HE3 LYS A 57 17.127 -13.396 -8.544 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 19.530 -12.647 -8.257 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 18.979 -12.895 -9.844 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 19.123 -11.318 -9.232 1.00 1.60 H new ATOM 929 N LEU A 58 13.996 -8.480 -5.696 1.00 0.46 N ATOM 930 CA LEU A 58 12.964 -7.660 -5.081 1.00 0.43 C ATOM 931 C LEU A 58 13.201 -6.193 -5.384 1.00 0.43 C ATOM 932 O LEU A 58 12.275 -5.464 -5.723 1.00 0.42 O ATOM 933 CB LEU A 58 12.943 -7.871 -3.569 1.00 0.43 C ATOM 934 CG LEU A 58 11.812 -7.156 -2.839 1.00 0.39 C ATOM 935 CD1 LEU A 58 10.470 -7.658 -3.340 1.00 0.40 C ATOM 936 CD2 LEU A 58 11.942 -7.356 -1.340 1.00 0.41 C ATOM 0 H LEU A 58 14.510 -9.068 -5.040 1.00 0.46 H new ATOM 0 HA LEU A 58 12.002 -7.960 -5.496 1.00 0.43 H new ATOM 0 HB2 LEU A 58 12.869 -8.939 -3.366 1.00 0.43 H new ATOM 0 HB3 LEU A 58 13.894 -7.533 -3.156 1.00 0.43 H new ATOM 0 HG LEU A 58 11.877 -6.087 -3.044 1.00 0.39 H new ATOM 0 HD11 LEU A 58 9.668 -7.141 -2.812 1.00 0.40 H new ATOM 0 HD12 LEU A 58 10.385 -7.464 -4.409 1.00 0.40 H new ATOM 0 HD13 LEU A 58 10.392 -8.730 -3.159 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.127 -6.840 -0.832 1.00 0.41 H new ATOM 0 HD22 LEU A 58 11.897 -8.420 -1.110 1.00 0.41 H new ATOM 0 HD23 LEU A 58 12.896 -6.952 -1.000 1.00 0.41 H new ATOM 948 N MET A 59 14.450 -5.776 -5.257 1.00 0.46 N ATOM 949 CA MET A 59 14.859 -4.430 -5.610 1.00 0.48 C ATOM 950 C MET A 59 14.387 -4.094 -7.010 1.00 0.48 C ATOM 951 O MET A 59 13.611 -3.175 -7.196 1.00 0.49 O ATOM 952 CB MET A 59 16.379 -4.304 -5.509 1.00 0.54 C ATOM 953 CG MET A 59 16.950 -3.063 -6.170 1.00 0.57 C ATOM 954 SD MET A 59 18.507 -2.548 -5.438 1.00 1.64 S ATOM 955 CE MET A 59 17.939 -1.885 -3.874 1.00 2.39 C ATOM 0 H MET A 59 15.207 -6.362 -4.906 1.00 0.46 H new ATOM 0 HA MET A 59 14.405 -3.724 -4.914 1.00 0.48 H new ATOM 0 HB2 MET A 59 16.662 -4.303 -4.456 1.00 0.54 H new ATOM 0 HB3 MET A 59 16.835 -5.184 -5.961 1.00 0.54 H new ATOM 0 HG2 MET A 59 17.098 -3.257 -7.232 1.00 0.57 H new ATOM 0 HG3 MET A 59 16.229 -2.249 -6.092 1.00 0.57 H new ATOM 0 HE1 MET A 59 18.590 -1.066 -3.568 1.00 2.39 H new ATOM 0 HE2 MET A 59 16.919 -1.516 -3.984 1.00 2.39 H new ATOM 0 HE3 MET A 59 17.962 -2.669 -3.117 1.00 2.39 H new ATOM 965 N SER A 60 14.820 -4.886 -7.973 1.00 0.50 N ATOM 966 CA SER A 60 14.448 -4.684 -9.372 1.00 0.53 C ATOM 967 C SER A 60 12.927 -4.746 -9.571 1.00 0.52 C ATOM 968 O SER A 60 12.395 -4.165 -10.510 1.00 0.56 O ATOM 969 CB SER A 60 15.137 -5.727 -10.252 1.00 0.56 C ATOM 970 OG SER A 60 14.880 -5.490 -11.627 1.00 1.35 O ATOM 0 H SER A 60 15.436 -5.684 -7.816 1.00 0.50 H new ATOM 0 HA SER A 60 14.779 -3.687 -9.664 1.00 0.53 H new ATOM 0 HB2 SER A 60 16.212 -5.706 -10.072 1.00 0.56 H new ATOM 0 HB3 SER A 60 14.788 -6.723 -9.981 1.00 0.56 H new ATOM 0 HG SER A 60 15.334 -6.171 -12.167 1.00 1.35 H new ATOM 976 N ASN A 61 12.238 -5.456 -8.691 1.00 0.49 N ATOM 977 CA ASN A 61 10.779 -5.566 -8.755 1.00 0.51 C ATOM 978 C ASN A 61 10.124 -4.242 -8.405 1.00 0.50 C ATOM 979 O ASN A 61 9.143 -3.826 -9.025 1.00 0.57 O ATOM 980 CB ASN A 61 10.266 -6.637 -7.786 1.00 0.49 C ATOM 981 CG ASN A 61 10.601 -8.047 -8.230 1.00 0.58 C ATOM 982 OD1 ASN A 61 10.726 -8.319 -9.424 1.00 0.80 O ATOM 983 ND2 ASN A 61 10.734 -8.962 -7.276 1.00 0.58 N ATOM 0 H ASN A 61 12.663 -5.969 -7.919 1.00 0.49 H new ATOM 0 HA ASN A 61 10.520 -5.846 -9.776 1.00 0.51 H new ATOM 0 HB2 ASN A 61 10.694 -6.461 -6.799 1.00 0.49 H new ATOM 0 HB3 ASN A 61 9.185 -6.541 -7.686 1.00 0.49 H new ATOM 0 HD21 ASN A 61 10.947 -9.929 -7.523 1.00 0.58 H new ATOM 0 HD22 ASN A 61 10.623 -8.698 -6.297 1.00 0.58 H new ATOM 990 N LEU A 62 10.678 -3.589 -7.404 1.00 0.44 N ATOM 991 CA LEU A 62 10.130 -2.348 -6.885 1.00 0.44 C ATOM 992 C LEU A 62 10.710 -1.178 -7.653 1.00 0.49 C ATOM 993 O LEU A 62 9.986 -0.318 -8.152 1.00 0.55 O ATOM 994 CB LEU A 62 10.487 -2.232 -5.406 1.00 0.38 C ATOM 995 CG LEU A 62 10.385 -3.543 -4.628 1.00 0.35 C ATOM 996 CD1 LEU A 62 10.767 -3.337 -3.171 1.00 0.31 C ATOM 997 CD2 LEU A 62 8.993 -4.145 -4.763 1.00 0.35 C ATOM 0 H LEU A 62 11.522 -3.903 -6.925 1.00 0.44 H new ATOM 0 HA LEU A 62 9.046 -2.341 -7.000 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.504 -1.850 -5.319 1.00 0.38 H new ATOM 0 HB3 LEU A 62 9.830 -1.496 -4.943 1.00 0.38 H new ATOM 0 HG LEU A 62 11.093 -4.253 -5.056 1.00 0.35 H new ATOM 0 HD11 LEU A 62 10.687 -4.284 -2.637 1.00 0.31 H new ATOM 0 HD12 LEU A 62 11.792 -2.972 -3.112 1.00 0.31 H new ATOM 0 HD13 LEU A 62 10.096 -2.607 -2.719 1.00 0.31 H new ATOM 0 HD21 LEU A 62 8.944 -5.078 -4.201 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.255 -3.446 -4.371 1.00 0.35 H new ATOM 0 HD23 LEU A 62 8.783 -4.343 -5.814 1.00 0.35 H new ATOM 1009 N ASP A 63 12.028 -1.200 -7.744 1.00 0.48 N ATOM 1010 CA ASP A 63 12.820 -0.233 -8.478 1.00 0.54 C ATOM 1011 C ASP A 63 12.528 -0.353 -9.968 1.00 0.57 C ATOM 1012 O ASP A 63 13.250 -1.005 -10.730 1.00 0.63 O ATOM 1013 CB ASP A 63 14.299 -0.489 -8.156 1.00 0.56 C ATOM 1014 CG ASP A 63 15.281 0.216 -9.058 1.00 0.67 C ATOM 1015 OD1 ASP A 63 15.126 1.424 -9.321 1.00 1.34 O ATOM 1016 OD2 ASP A 63 16.245 -0.450 -9.496 1.00 1.24 O ATOM 0 H ASP A 63 12.595 -1.918 -7.292 1.00 0.48 H new ATOM 0 HA ASP A 63 12.568 0.786 -8.185 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.489 -0.182 -7.127 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.486 -1.562 -8.209 1.00 0.56 H new ATOM 1021 N SER A 64 11.430 0.258 -10.359 1.00 0.59 N ATOM 1022 CA SER A 64 10.976 0.240 -11.735 1.00 0.64 C ATOM 1023 C SER A 64 11.892 1.100 -12.588 1.00 0.66 C ATOM 1024 O SER A 64 12.024 0.894 -13.798 1.00 0.76 O ATOM 1025 CB SER A 64 9.532 0.742 -11.822 1.00 0.72 C ATOM 1026 OG SER A 64 9.005 0.566 -13.125 1.00 1.37 O ATOM 0 H SER A 64 10.824 0.784 -9.729 1.00 0.59 H new ATOM 0 HA SER A 64 11.006 -0.783 -12.109 1.00 0.64 H new ATOM 0 HB2 SER A 64 8.914 0.206 -11.102 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.494 1.797 -11.551 1.00 0.72 H new ATOM 0 HG SER A 64 8.082 0.894 -13.151 1.00 1.37 H new ATOM 1032 N ASN A 65 12.546 2.048 -11.937 1.00 0.63 N ATOM 1033 CA ASN A 65 13.488 2.925 -12.600 1.00 0.72 C ATOM 1034 C ASN A 65 14.781 2.177 -12.908 1.00 0.69 C ATOM 1035 O ASN A 65 15.548 2.554 -13.796 1.00 0.77 O ATOM 1036 CB ASN A 65 13.774 4.111 -11.685 1.00 0.79 C ATOM 1037 CG ASN A 65 14.851 5.023 -12.213 1.00 1.01 C ATOM 1038 OD1 ASN A 65 16.089 4.666 -11.937 1.00 1.65 O flip ATOM 1039 ND2 ASN A 65 14.578 6.021 -12.881 1.00 1.16 N flip ATOM 0 H ASN A 65 12.437 2.228 -10.939 1.00 0.63 H new ATOM 0 HA ASN A 65 13.065 3.275 -13.541 1.00 0.72 H new ATOM 0 HB2 ASN A 65 12.857 4.684 -11.547 1.00 0.79 H new ATOM 0 HB3 ASN A 65 14.070 3.741 -10.703 1.00 0.79 H new ATOM 0 HD21 ASN A 65 13.604 6.258 -13.069 1.00 1.16 H new ATOM 0 HD22 ASN A 65 15.326 6.611 -13.246 1.00 1.16 H new ATOM 1046 N ARG A 66 14.967 1.085 -12.177 1.00 0.60 N ATOM 1047 CA ARG A 66 16.148 0.246 -12.260 1.00 0.60 C ATOM 1048 C ARG A 66 17.413 1.027 -11.904 1.00 0.61 C ATOM 1049 O ARG A 66 18.445 0.916 -12.567 1.00 0.69 O ATOM 1050 CB ARG A 66 16.260 -0.383 -13.633 1.00 0.67 C ATOM 1051 CG ARG A 66 15.061 -1.233 -14.026 1.00 0.71 C ATOM 1052 CD ARG A 66 14.885 -2.460 -13.136 1.00 0.71 C ATOM 1053 NE ARG A 66 13.980 -3.430 -13.755 1.00 0.78 N ATOM 1054 CZ ARG A 66 12.662 -3.467 -13.553 1.00 1.20 C ATOM 1055 NH1 ARG A 66 12.084 -2.602 -12.732 1.00 2.24 N ATOM 1056 NH2 ARG A 66 11.928 -4.378 -14.176 1.00 1.15 N ATOM 0 H ARG A 66 14.284 0.754 -11.496 1.00 0.60 H new ATOM 0 HA ARG A 66 16.044 -0.554 -11.527 1.00 0.60 H new ATOM 0 HB2 ARG A 66 16.390 0.407 -14.373 1.00 0.67 H new ATOM 0 HB3 ARG A 66 17.157 -1.002 -13.665 1.00 0.67 H new ATOM 0 HG2 ARG A 66 14.159 -0.623 -13.978 1.00 0.71 H new ATOM 0 HG3 ARG A 66 15.174 -1.555 -15.061 1.00 0.71 H new ATOM 0 HD2 ARG A 66 15.854 -2.925 -12.955 1.00 0.71 H new ATOM 0 HD3 ARG A 66 14.491 -2.157 -12.166 1.00 0.71 H new ATOM 0 HE ARG A 66 14.385 -4.124 -14.383 1.00 0.78 H new ATOM 0 HH11 ARG A 66 12.648 -1.902 -12.250 1.00 2.24 H new ATOM 0 HH12 ARG A 66 11.076 -2.636 -12.583 1.00 2.24 H new ATOM 0 HH21 ARG A 66 12.371 -5.046 -14.806 1.00 1.15 H new ATOM 0 HH22 ARG A 66 10.920 -4.411 -14.025 1.00 1.15 H new ATOM 1070 N ASP A 67 17.315 1.796 -10.831 1.00 0.58 N ATOM 1071 CA ASP A 67 18.436 2.585 -10.317 1.00 0.62 C ATOM 1072 C ASP A 67 19.154 1.798 -9.230 1.00 0.56 C ATOM 1073 O ASP A 67 20.242 2.163 -8.785 1.00 0.57 O ATOM 1074 CB ASP A 67 17.925 3.914 -9.746 1.00 0.70 C ATOM 1075 CG ASP A 67 19.025 4.873 -9.343 1.00 1.07 C ATOM 1076 OD1 ASP A 67 20.119 4.834 -9.947 1.00 1.64 O ATOM 1077 OD2 ASP A 67 18.787 5.697 -8.434 1.00 1.72 O ATOM 0 H ASP A 67 16.457 1.894 -10.288 1.00 0.58 H new ATOM 0 HA ASP A 67 19.130 2.795 -11.131 1.00 0.62 H new ATOM 0 HB2 ASP A 67 17.290 4.397 -10.489 1.00 0.70 H new ATOM 0 HB3 ASP A 67 17.300 3.708 -8.877 1.00 0.70 H new ATOM 1082 N ASN A 68 18.510 0.709 -8.816 1.00 0.53 N ATOM 1083 CA ASN A 68 19.011 -0.170 -7.763 1.00 0.51 C ATOM 1084 C ASN A 68 18.981 0.517 -6.417 1.00 0.47 C ATOM 1085 O ASN A 68 19.785 0.228 -5.530 1.00 0.48 O ATOM 1086 CB ASN A 68 20.403 -0.708 -8.093 1.00 0.58 C ATOM 1087 CG ASN A 68 20.327 -1.998 -8.881 1.00 0.73 C ATOM 1088 OD1 ASN A 68 21.274 -2.785 -8.902 1.00 1.08 O ATOM 1089 ND2 ASN A 68 19.175 -2.249 -9.490 1.00 0.66 N ATOM 0 H ASN A 68 17.617 0.409 -9.206 1.00 0.53 H new ATOM 0 HA ASN A 68 18.343 -1.029 -7.706 1.00 0.51 H new ATOM 0 HB2 ASN A 68 20.956 0.037 -8.665 1.00 0.58 H new ATOM 0 HB3 ASN A 68 20.957 -0.877 -7.170 1.00 0.58 H new ATOM 0 HD21 ASN A 68 19.048 -3.122 -10.001 1.00 0.66 H new ATOM 0 HD22 ASN A 68 18.416 -1.568 -9.447 1.00 0.66 H new ATOM 1096 N GLU A 69 18.037 1.433 -6.288 1.00 0.46 N ATOM 1097 CA GLU A 69 17.700 2.048 -5.021 1.00 0.42 C ATOM 1098 C GLU A 69 16.216 2.377 -5.045 1.00 0.41 C ATOM 1099 O GLU A 69 15.766 3.156 -5.883 1.00 0.44 O ATOM 1100 CB GLU A 69 18.519 3.316 -4.765 1.00 0.46 C ATOM 1101 CG GLU A 69 20.023 3.119 -4.867 1.00 0.50 C ATOM 1102 CD GLU A 69 20.802 4.396 -4.663 1.00 0.65 C ATOM 1103 OE1 GLU A 69 21.090 4.749 -3.504 1.00 1.31 O ATOM 1104 OE2 GLU A 69 21.143 5.054 -5.666 1.00 1.29 O ATOM 0 H GLU A 69 17.478 1.773 -7.071 1.00 0.46 H new ATOM 0 HA GLU A 69 17.933 1.355 -4.212 1.00 0.42 H new ATOM 0 HB2 GLU A 69 18.215 4.081 -5.479 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.280 3.695 -3.771 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.339 2.385 -4.125 1.00 0.50 H new ATOM 0 HG3 GLU A 69 20.264 2.706 -5.846 1.00 0.50 H new ATOM 1111 N VAL A 70 15.474 1.779 -4.134 1.00 0.37 N ATOM 1112 CA VAL A 70 14.009 1.873 -4.139 1.00 0.36 C ATOM 1113 C VAL A 70 13.527 3.203 -3.562 1.00 0.35 C ATOM 1114 O VAL A 70 13.913 3.574 -2.460 1.00 0.36 O ATOM 1115 CB VAL A 70 13.386 0.716 -3.323 1.00 0.34 C ATOM 1116 CG1 VAL A 70 11.910 0.958 -3.065 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.574 -0.608 -4.040 1.00 0.37 C ATOM 0 H VAL A 70 15.855 1.217 -3.372 1.00 0.37 H new ATOM 0 HA VAL A 70 13.689 1.806 -5.179 1.00 0.36 H new ATOM 0 HB VAL A 70 13.901 0.676 -2.363 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.500 0.128 -2.490 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.786 1.884 -2.504 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.382 1.036 -4.016 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.129 -1.408 -3.449 1.00 0.37 H new ATOM 0 HG22 VAL A 70 13.090 -0.565 -5.016 1.00 0.37 H new ATOM 0 HG23 VAL A 70 14.638 -0.803 -4.171 1.00 0.37 H new ATOM 1127 N ASP A 71 12.686 3.914 -4.308 1.00 0.38 N ATOM 1128 CA ASP A 71 12.150 5.197 -3.845 1.00 0.39 C ATOM 1129 C ASP A 71 10.941 4.998 -2.934 1.00 0.37 C ATOM 1130 O ASP A 71 10.390 3.899 -2.868 1.00 0.35 O ATOM 1131 CB ASP A 71 11.780 6.109 -5.032 1.00 0.45 C ATOM 1132 CG ASP A 71 10.275 6.271 -5.261 1.00 0.77 C ATOM 1133 OD1 ASP A 71 9.673 5.427 -5.931 1.00 1.35 O ATOM 1134 OD2 ASP A 71 9.682 7.267 -4.770 1.00 1.43 O ATOM 0 H ASP A 71 12.360 3.628 -5.231 1.00 0.38 H new ATOM 0 HA ASP A 71 12.935 5.686 -3.268 1.00 0.39 H new ATOM 0 HB2 ASP A 71 12.218 7.094 -4.868 1.00 0.45 H new ATOM 0 HB3 ASP A 71 12.232 5.706 -5.938 1.00 0.45 H new ATOM 1139 N PHE A 72 10.558 6.061 -2.210 1.00 0.41 N ATOM 1140 CA PHE A 72 9.374 6.038 -1.341 1.00 0.44 C ATOM 1141 C PHE A 72 8.214 5.334 -2.027 1.00 0.40 C ATOM 1142 O PHE A 72 7.594 4.426 -1.474 1.00 0.42 O ATOM 1143 CB PHE A 72 8.906 7.458 -1.013 1.00 0.54 C ATOM 1144 CG PHE A 72 9.662 8.192 0.059 1.00 0.94 C ATOM 1145 CD1 PHE A 72 10.792 8.935 -0.242 1.00 1.69 C ATOM 1146 CD2 PHE A 72 9.207 8.177 1.368 1.00 1.70 C ATOM 1147 CE1 PHE A 72 11.452 9.644 0.742 1.00 2.18 C ATOM 1148 CE2 PHE A 72 9.868 8.880 2.356 1.00 2.17 C ATOM 1149 CZ PHE A 72 10.992 9.616 2.041 1.00 2.15 C ATOM 0 H PHE A 72 11.055 6.952 -2.211 1.00 0.41 H new ATOM 0 HA PHE A 72 9.662 5.511 -0.432 1.00 0.44 H new ATOM 0 HB2 PHE A 72 8.952 8.050 -1.927 1.00 0.54 H new ATOM 0 HB3 PHE A 72 7.858 7.410 -0.717 1.00 0.54 H new ATOM 0 HD1 PHE A 72 11.160 8.960 -1.257 1.00 1.69 H new ATOM 0 HD2 PHE A 72 8.324 7.608 1.619 1.00 1.70 H new ATOM 0 HE1 PHE A 72 12.330 10.221 0.493 1.00 2.18 H new ATOM 0 HE2 PHE A 72 9.506 8.854 3.373 1.00 2.17 H new ATOM 0 HZ PHE A 72 11.510 10.169 2.811 1.00 2.15 H new ATOM 1159 N GLN A 73 7.947 5.769 -3.246 1.00 0.38 N ATOM 1160 CA GLN A 73 6.814 5.288 -4.008 1.00 0.37 C ATOM 1161 C GLN A 73 6.990 3.827 -4.422 1.00 0.36 C ATOM 1162 O GLN A 73 6.070 3.032 -4.272 1.00 0.37 O ATOM 1163 CB GLN A 73 6.599 6.182 -5.227 1.00 0.41 C ATOM 1164 CG GLN A 73 5.516 5.688 -6.157 1.00 0.50 C ATOM 1165 CD GLN A 73 6.072 5.153 -7.463 1.00 0.42 C ATOM 1166 OE1 GLN A 73 6.580 3.932 -7.427 1.00 0.63 O flip ATOM 1167 NE2 GLN A 73 6.109 5.858 -8.475 1.00 0.41 N flip ATOM 0 H GLN A 73 8.511 6.465 -3.733 1.00 0.38 H new ATOM 0 HA GLN A 73 5.929 5.332 -3.373 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.346 7.187 -4.890 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.535 6.258 -5.781 1.00 0.41 H new ATOM 0 HG2 GLN A 73 4.945 4.904 -5.660 1.00 0.50 H new ATOM 0 HG3 GLN A 73 4.823 6.502 -6.367 1.00 0.50 H new ATOM 0 HE21 GLN A 73 5.705 6.794 -8.459 1.00 0.41 H new ATOM 0 HE22 GLN A 73 6.544 5.504 -9.327 1.00 0.41 H new ATOM 1176 N GLU A 74 8.155 3.479 -4.958 1.00 0.37 N ATOM 1177 CA GLU A 74 8.446 2.096 -5.329 1.00 0.40 C ATOM 1178 C GLU A 74 8.321 1.176 -4.116 1.00 0.38 C ATOM 1179 O GLU A 74 7.924 0.015 -4.234 1.00 0.41 O ATOM 1180 CB GLU A 74 9.845 1.999 -5.942 1.00 0.45 C ATOM 1181 CG GLU A 74 9.986 2.775 -7.243 1.00 0.59 C ATOM 1182 CD GLU A 74 11.406 2.793 -7.771 1.00 1.40 C ATOM 1183 OE1 GLU A 74 12.343 2.921 -6.952 1.00 2.18 O ATOM 1184 OE2 GLU A 74 11.586 2.668 -9.008 1.00 2.04 O ATOM 0 H GLU A 74 8.914 4.134 -5.146 1.00 0.37 H new ATOM 0 HA GLU A 74 7.718 1.773 -6.073 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.576 2.371 -5.224 1.00 0.45 H new ATOM 0 HB3 GLU A 74 10.083 0.951 -6.124 1.00 0.45 H new ATOM 0 HG2 GLU A 74 9.330 2.335 -7.995 1.00 0.59 H new ATOM 0 HG3 GLU A 74 9.649 3.800 -7.087 1.00 0.59 H new ATOM 1191 N TYR A 75 8.633 1.717 -2.948 1.00 0.34 N ATOM 1192 CA TYR A 75 8.500 0.996 -1.694 1.00 0.37 C ATOM 1193 C TYR A 75 7.025 0.905 -1.296 1.00 0.34 C ATOM 1194 O TYR A 75 6.569 -0.103 -0.758 1.00 0.34 O ATOM 1195 CB TYR A 75 9.313 1.705 -0.608 1.00 0.43 C ATOM 1196 CG TYR A 75 9.134 1.116 0.777 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.641 -0.139 1.089 1.00 1.72 C ATOM 1198 CD2 TYR A 75 8.459 1.814 1.770 1.00 1.50 C ATOM 1199 CE1 TYR A 75 9.477 -0.682 2.350 1.00 2.09 C ATOM 1200 CE2 TYR A 75 8.292 1.279 3.035 1.00 1.86 C ATOM 1201 CZ TYR A 75 8.802 0.031 3.319 1.00 1.84 C ATOM 1202 OH TYR A 75 8.642 -0.511 4.576 1.00 2.33 O ATOM 0 H TYR A 75 8.985 2.669 -2.844 1.00 0.34 H new ATOM 0 HA TYR A 75 8.884 -0.017 -1.814 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.369 1.666 -0.875 1.00 0.43 H new ATOM 0 HB3 TYR A 75 9.029 2.757 -0.584 1.00 0.43 H new ATOM 0 HD1 TYR A 75 10.172 -0.700 0.334 1.00 1.72 H new ATOM 0 HD2 TYR A 75 8.057 2.792 1.551 1.00 1.50 H new ATOM 0 HE1 TYR A 75 9.876 -1.660 2.575 1.00 2.09 H new ATOM 0 HE2 TYR A 75 7.765 1.836 3.795 1.00 1.86 H new ATOM 0 HH TYR A 75 8.146 0.117 5.142 1.00 2.33 H new ATOM 1212 N SER A 76 6.282 1.966 -1.582 1.00 0.35 N ATOM 1213 CA SER A 76 4.847 1.999 -1.327 1.00 0.37 C ATOM 1214 C SER A 76 4.117 1.006 -2.235 1.00 0.36 C ATOM 1215 O SER A 76 3.132 0.381 -1.832 1.00 0.41 O ATOM 1216 CB SER A 76 4.315 3.418 -1.549 1.00 0.41 C ATOM 1217 OG SER A 76 4.926 4.337 -0.660 1.00 1.21 O ATOM 0 H SER A 76 6.653 2.822 -1.994 1.00 0.35 H new ATOM 0 HA SER A 76 4.665 1.710 -0.292 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.503 3.723 -2.578 1.00 0.41 H new ATOM 0 HB3 SER A 76 3.235 3.431 -1.405 1.00 0.41 H new ATOM 0 HG SER A 76 5.877 4.424 -0.882 1.00 1.21 H new ATOM 1223 N VAL A 77 4.625 0.853 -3.454 1.00 0.35 N ATOM 1224 CA VAL A 77 4.081 -0.102 -4.411 1.00 0.36 C ATOM 1225 C VAL A 77 4.460 -1.507 -3.980 1.00 0.33 C ATOM 1226 O VAL A 77 3.725 -2.472 -4.191 1.00 0.33 O ATOM 1227 CB VAL A 77 4.605 0.160 -5.843 1.00 0.40 C ATOM 1228 CG1 VAL A 77 4.138 -0.927 -6.800 1.00 0.43 C ATOM 1229 CG2 VAL A 77 4.156 1.526 -6.334 1.00 0.44 C ATOM 0 H VAL A 77 5.422 1.385 -3.804 1.00 0.35 H new ATOM 0 HA VAL A 77 2.997 0.012 -4.428 1.00 0.36 H new ATOM 0 HB VAL A 77 5.694 0.142 -5.812 1.00 0.40 H new ATOM 0 HG11 VAL A 77 4.519 -0.720 -7.800 1.00 0.43 H new ATOM 0 HG12 VAL A 77 4.511 -1.894 -6.462 1.00 0.43 H new ATOM 0 HG13 VAL A 77 3.048 -0.947 -6.824 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.534 1.692 -7.343 1.00 0.44 H new ATOM 0 HG22 VAL A 77 3.067 1.570 -6.343 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.544 2.297 -5.669 1.00 0.44 H new ATOM 1239 N PHE A 78 5.617 -1.598 -3.357 1.00 0.32 N ATOM 1240 CA PHE A 78 6.096 -2.844 -2.800 1.00 0.29 C ATOM 1241 C PHE A 78 5.107 -3.392 -1.783 1.00 0.27 C ATOM 1242 O PHE A 78 4.625 -4.515 -1.905 1.00 0.28 O ATOM 1243 CB PHE A 78 7.449 -2.620 -2.131 1.00 0.27 C ATOM 1244 CG PHE A 78 7.926 -3.799 -1.333 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.780 -5.088 -1.818 1.00 1.18 C ATOM 1246 CD2 PHE A 78 8.503 -3.616 -0.090 1.00 1.22 C ATOM 1247 CE1 PHE A 78 8.201 -6.169 -1.081 1.00 1.19 C ATOM 1248 CE2 PHE A 78 8.924 -4.698 0.654 1.00 1.24 C ATOM 1249 CZ PHE A 78 8.773 -5.975 0.156 1.00 0.37 C ATOM 0 H PHE A 78 6.251 -0.810 -3.223 1.00 0.32 H new ATOM 0 HA PHE A 78 6.202 -3.568 -3.607 1.00 0.29 H new ATOM 0 HB2 PHE A 78 8.189 -2.386 -2.896 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.382 -1.751 -1.476 1.00 0.27 H new ATOM 0 HD1 PHE A 78 7.330 -5.246 -2.787 1.00 1.18 H new ATOM 0 HD2 PHE A 78 8.625 -2.617 0.302 1.00 1.22 H new ATOM 0 HE1 PHE A 78 8.083 -7.169 -1.472 1.00 1.19 H new ATOM 0 HE2 PHE A 78 9.371 -4.546 1.625 1.00 1.24 H new ATOM 0 HZ PHE A 78 9.104 -6.823 0.737 1.00 0.37 H new ATOM 1259 N LEU A 79 4.801 -2.587 -0.789 1.00 0.27 N ATOM 1260 CA LEU A 79 3.948 -3.030 0.300 1.00 0.26 C ATOM 1261 C LEU A 79 2.526 -3.288 -0.172 1.00 0.31 C ATOM 1262 O LEU A 79 1.846 -4.180 0.337 1.00 0.33 O ATOM 1263 CB LEU A 79 3.968 -2.002 1.416 1.00 0.29 C ATOM 1264 CG LEU A 79 5.367 -1.676 1.923 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.292 -0.685 3.048 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.084 -2.933 2.374 1.00 0.30 C ATOM 0 H LEU A 79 5.128 -1.624 -0.709 1.00 0.27 H new ATOM 0 HA LEU A 79 4.338 -3.975 0.678 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.497 -1.085 1.062 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.366 -2.369 2.247 1.00 0.29 H new ATOM 0 HG LEU A 79 5.935 -1.236 1.103 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.298 -0.460 3.402 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.818 0.231 2.695 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.706 -1.106 3.865 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.081 -2.675 2.732 1.00 0.30 H new ATOM 0 HD22 LEU A 79 5.520 -3.404 3.179 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.167 -3.625 1.536 1.00 0.30 H new ATOM 1278 N SER A 80 2.081 -2.525 -1.155 1.00 0.36 N ATOM 1279 CA SER A 80 0.764 -2.744 -1.718 1.00 0.47 C ATOM 1280 C SER A 80 0.725 -4.028 -2.519 1.00 0.37 C ATOM 1281 O SER A 80 -0.216 -4.796 -2.390 1.00 0.38 O ATOM 1282 CB SER A 80 0.329 -1.573 -2.579 1.00 0.66 C ATOM 1283 OG SER A 80 1.416 -1.049 -3.314 1.00 0.84 O ATOM 0 H SER A 80 2.606 -1.758 -1.575 1.00 0.36 H new ATOM 0 HA SER A 80 0.064 -2.832 -0.887 1.00 0.47 H new ATOM 0 HB2 SER A 80 -0.456 -1.893 -3.264 1.00 0.66 H new ATOM 0 HB3 SER A 80 -0.097 -0.793 -1.948 1.00 0.66 H new ATOM 0 HG SER A 80 1.911 -0.412 -2.757 1.00 0.84 H new ATOM 1289 N SER A 81 1.746 -4.275 -3.337 1.00 0.33 N ATOM 1290 CA SER A 81 1.798 -5.512 -4.100 1.00 0.30 C ATOM 1291 C SER A 81 1.819 -6.708 -3.157 1.00 0.24 C ATOM 1292 O SER A 81 1.230 -7.738 -3.459 1.00 0.26 O ATOM 1293 CB SER A 81 2.987 -5.536 -5.072 1.00 0.37 C ATOM 1294 OG SER A 81 4.196 -5.180 -4.433 1.00 1.22 O ATOM 0 H SER A 81 2.534 -3.645 -3.485 1.00 0.33 H new ATOM 0 HA SER A 81 0.898 -5.572 -4.712 1.00 0.30 H new ATOM 0 HB2 SER A 81 3.084 -6.532 -5.503 1.00 0.37 H new ATOM 0 HB3 SER A 81 2.796 -4.849 -5.897 1.00 0.37 H new ATOM 0 HG SER A 81 4.081 -5.236 -3.461 1.00 1.22 H new ATOM 1300 N ILE A 82 2.461 -6.554 -2.000 1.00 0.23 N ATOM 1301 CA ILE A 82 2.390 -7.572 -0.958 1.00 0.23 C ATOM 1302 C ILE A 82 0.938 -7.846 -0.591 1.00 0.27 C ATOM 1303 O ILE A 82 0.454 -8.972 -0.709 1.00 0.30 O ATOM 1304 CB ILE A 82 3.115 -7.152 0.336 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.599 -6.881 0.081 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.933 -8.229 1.395 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.360 -6.468 1.327 1.00 0.23 C ATOM 0 H ILE A 82 3.031 -5.742 -1.763 1.00 0.23 H new ATOM 0 HA ILE A 82 2.877 -8.457 -1.368 1.00 0.23 H new ATOM 0 HB ILE A 82 2.675 -6.222 0.695 1.00 0.24 H new ATOM 0 HG12 ILE A 82 5.058 -7.778 -0.335 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.693 -6.097 -0.670 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.446 -7.931 2.309 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.871 -8.361 1.601 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.352 -9.169 1.034 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.405 -6.292 1.073 1.00 0.23 H new ATOM 0 HD12 ILE A 82 4.926 -5.554 1.732 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.296 -7.261 2.072 1.00 0.23 H new ATOM 1319 N ALA A 83 0.254 -6.796 -0.152 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.119 -6.904 0.314 1.00 0.36 C ATOM 1321 C ALA A 83 -2.047 -7.406 -0.797 1.00 0.37 C ATOM 1322 O ALA A 83 -2.951 -8.193 -0.539 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.584 -5.563 0.872 1.00 0.40 C ATOM 0 H ALA A 83 0.635 -5.851 -0.110 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.159 -7.642 1.115 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.613 -5.651 1.219 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -0.943 -5.274 1.705 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.528 -4.805 0.091 1.00 0.40 H new ATOM 1329 N MET A 84 -1.795 -6.977 -2.033 1.00 0.37 N ATOM 1330 CA MET A 84 -2.585 -7.424 -3.183 1.00 0.43 C ATOM 1331 C MET A 84 -2.392 -8.914 -3.410 1.00 0.34 C ATOM 1332 O MET A 84 -3.356 -9.668 -3.528 1.00 0.37 O ATOM 1333 CB MET A 84 -2.198 -6.672 -4.463 1.00 0.64 C ATOM 1334 CG MET A 84 -2.371 -5.165 -4.378 1.00 0.44 C ATOM 1335 SD MET A 84 -2.280 -4.352 -5.990 1.00 1.00 S ATOM 1336 CE MET A 84 -0.589 -4.683 -6.472 1.00 1.26 C ATOM 0 H MET A 84 -1.050 -6.320 -2.265 1.00 0.37 H new ATOM 0 HA MET A 84 -3.630 -7.213 -2.957 1.00 0.43 H new ATOM 0 HB2 MET A 84 -1.158 -6.894 -4.701 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.801 -7.049 -5.289 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.333 -4.941 -3.918 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.602 -4.753 -3.725 1.00 0.44 H new ATOM 0 HE1 MET A 84 -0.459 -4.447 -7.528 1.00 1.26 H new ATOM 0 HE2 MET A 84 0.086 -4.068 -5.877 1.00 1.26 H new ATOM 0 HE3 MET A 84 -0.362 -5.736 -6.305 1.00 1.26 H new ATOM 1346 N MET A 85 -1.142 -9.339 -3.457 1.00 0.34 N ATOM 1347 CA MET A 85 -0.825 -10.741 -3.674 1.00 0.35 C ATOM 1348 C MET A 85 -1.368 -11.584 -2.529 1.00 0.35 C ATOM 1349 O MET A 85 -1.879 -12.681 -2.741 1.00 0.42 O ATOM 1350 CB MET A 85 0.687 -10.932 -3.813 1.00 0.39 C ATOM 1351 CG MET A 85 1.281 -10.162 -4.982 1.00 1.36 C ATOM 1352 SD MET A 85 0.616 -10.672 -6.580 1.00 2.66 S ATOM 1353 CE MET A 85 1.134 -12.387 -6.635 1.00 3.35 C ATOM 0 H MET A 85 -0.329 -8.733 -3.348 1.00 0.34 H new ATOM 0 HA MET A 85 -1.297 -11.068 -4.601 1.00 0.35 H new ATOM 0 HB2 MET A 85 1.174 -10.613 -2.891 1.00 0.39 H new ATOM 0 HB3 MET A 85 0.903 -11.993 -3.937 1.00 0.39 H new ATOM 0 HG2 MET A 85 1.093 -9.098 -4.841 1.00 1.36 H new ATOM 0 HG3 MET A 85 2.363 -10.297 -4.986 1.00 1.36 H new ATOM 0 HE1 MET A 85 1.089 -12.748 -7.662 1.00 3.35 H new ATOM 0 HE2 MET A 85 2.156 -12.470 -6.266 1.00 3.35 H new ATOM 0 HE3 MET A 85 0.473 -12.987 -6.010 1.00 3.35 H new ATOM 1363 N SER A 86 -1.282 -11.045 -1.320 1.00 0.33 N ATOM 1364 CA SER A 86 -1.799 -11.719 -0.143 1.00 0.39 C ATOM 1365 C SER A 86 -3.328 -11.786 -0.166 1.00 0.43 C ATOM 1366 O SER A 86 -3.912 -12.762 0.295 1.00 0.57 O ATOM 1367 CB SER A 86 -1.323 -11.003 1.124 1.00 0.43 C ATOM 1368 OG SER A 86 -1.725 -11.697 2.293 1.00 1.24 O ATOM 0 H SER A 86 -0.856 -10.138 -1.131 1.00 0.33 H new ATOM 0 HA SER A 86 -1.417 -12.740 -0.145 1.00 0.39 H new ATOM 0 HB2 SER A 86 -0.237 -10.914 1.107 1.00 0.43 H new ATOM 0 HB3 SER A 86 -1.725 -9.990 1.144 1.00 0.43 H new ATOM 0 HG SER A 86 -1.405 -11.216 3.085 1.00 1.24 H new ATOM 1374 N ASN A 87 -3.979 -10.762 -0.710 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.436 -10.707 -0.684 1.00 0.51 C ATOM 1376 C ASN A 87 -6.044 -11.580 -1.782 1.00 0.44 C ATOM 1377 O ASN A 87 -7.115 -12.158 -1.610 1.00 0.53 O ATOM 1378 CB ASN A 87 -5.947 -9.245 -0.734 1.00 0.69 C ATOM 1379 CG ASN A 87 -5.792 -8.498 -2.060 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -6.029 -9.150 -3.181 1.00 2.36 O flip ATOM 1381 ND2 ASN A 87 -5.503 -7.309 -2.066 1.00 1.49 N flip ATOM 0 H ASN A 87 -3.528 -9.970 -1.168 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.772 -11.121 0.267 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -7.004 -9.247 -0.468 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -5.425 -8.678 0.037 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -5.323 -6.823 -1.187 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -5.442 -6.804 -2.950 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.364 -11.664 -2.917 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.771 -12.569 -3.983 1.00 0.43 C ATOM 1390 C GLU A 88 -5.494 -14.001 -3.557 1.00 0.52 C ATOM 1391 O GLU A 88 -6.200 -14.935 -3.933 1.00 0.66 O ATOM 1392 CB GLU A 88 -5.033 -12.232 -5.278 1.00 0.48 C ATOM 1393 CG GLU A 88 -5.330 -10.828 -5.777 1.00 0.51 C ATOM 1394 CD GLU A 88 -4.566 -10.465 -7.032 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -3.955 -11.361 -7.650 1.00 1.49 O ATOM 1396 OE2 GLU A 88 -4.580 -9.274 -7.406 1.00 1.73 O ATOM 0 H GLU A 88 -4.528 -11.117 -3.123 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.839 -12.455 -4.169 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -3.960 -12.336 -5.117 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -5.311 -12.952 -6.047 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -6.399 -10.737 -5.971 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -5.087 -10.112 -4.992 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.458 -14.152 -2.751 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.141 -15.428 -2.131 1.00 0.63 C ATOM 1405 C PHE A 89 -5.144 -15.738 -1.029 1.00 0.66 C ATOM 1406 O PHE A 89 -5.356 -16.899 -0.676 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.715 -15.396 -1.571 1.00 0.73 C ATOM 1408 CG PHE A 89 -2.270 -16.678 -0.923 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -1.815 -17.739 -1.690 1.00 1.71 C ATOM 1410 CD2 PHE A 89 -2.301 -16.820 0.456 1.00 2.16 C ATOM 1411 CE1 PHE A 89 -1.405 -18.916 -1.094 1.00 2.38 C ATOM 1412 CE2 PHE A 89 -1.891 -17.994 1.057 1.00 2.80 C ATOM 1413 CZ PHE A 89 -1.442 -19.043 0.281 1.00 2.70 C ATOM 0 H PHE A 89 -3.815 -13.398 -2.508 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.202 -16.215 -2.882 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.026 -15.155 -2.380 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.643 -14.590 -0.840 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -1.781 -17.645 -2.765 1.00 1.71 H new ATOM 0 HD2 PHE A 89 -2.650 -16.002 1.068 1.00 2.16 H new ATOM 0 HE1 PHE A 89 -1.056 -19.737 -1.703 1.00 2.38 H new ATOM 0 HE2 PHE A 89 -1.922 -18.091 2.132 1.00 2.80 H new ATOM 0 HZ PHE A 89 -1.120 -19.962 0.748 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.770 -14.694 -0.496 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.818 -14.870 0.496 1.00 0.68 C ATOM 1425 C PHE A 90 -8.014 -15.524 -0.174 1.00 0.68 C ATOM 1426 O PHE A 90 -8.721 -16.330 0.428 1.00 0.80 O ATOM 1427 CB PHE A 90 -7.206 -13.524 1.118 1.00 0.69 C ATOM 1428 CG PHE A 90 -8.253 -13.622 2.193 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -7.928 -14.096 3.453 1.00 1.46 C ATOM 1430 CD2 PHE A 90 -9.560 -13.236 1.942 1.00 1.53 C ATOM 1431 CE1 PHE A 90 -8.888 -14.186 4.442 1.00 1.59 C ATOM 1432 CE2 PHE A 90 -10.524 -13.323 2.928 1.00 1.64 C ATOM 1433 CZ PHE A 90 -10.187 -13.798 4.179 1.00 1.21 C ATOM 0 H PHE A 90 -5.569 -13.723 -0.734 1.00 0.60 H new ATOM 0 HA PHE A 90 -6.459 -15.509 1.303 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -6.314 -13.059 1.537 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.570 -12.864 0.331 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -6.913 -14.399 3.665 1.00 1.46 H new ATOM 0 HD2 PHE A 90 -9.828 -12.863 0.965 1.00 1.53 H new ATOM 0 HE1 PHE A 90 -8.623 -14.559 5.420 1.00 1.59 H new ATOM 0 HE2 PHE A 90 -11.539 -13.020 2.720 1.00 1.64 H new ATOM 0 HZ PHE A 90 -10.938 -13.866 4.952 1.00 1.21 H new ATOM 1443 N GLU A 91 -8.214 -15.176 -1.440 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.234 -15.815 -2.257 1.00 0.72 C ATOM 1445 C GLU A 91 -8.801 -17.218 -2.647 1.00 0.77 C ATOM 1446 O GLU A 91 -9.578 -18.172 -2.603 1.00 0.96 O ATOM 1447 CB GLU A 91 -9.467 -15.028 -3.544 1.00 0.83 C ATOM 1448 CG GLU A 91 -9.698 -13.546 -3.350 1.00 0.92 C ATOM 1449 CD GLU A 91 -9.715 -12.803 -4.668 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -10.743 -12.856 -5.372 1.00 2.23 O ATOM 1451 OE2 GLU A 91 -8.702 -12.145 -5.000 1.00 2.25 O ATOM 0 H GLU A 91 -7.681 -14.453 -1.922 1.00 0.61 H new ATOM 0 HA GLU A 91 -10.149 -15.849 -1.666 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -8.605 -15.164 -4.197 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.329 -15.451 -4.061 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -10.645 -13.390 -2.833 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -8.915 -13.136 -2.712 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.542 -17.324 -3.033 1.00 0.71 N ATOM 1459 CA GLY A 92 -7.038 -18.535 -3.636 1.00 0.82 C ATOM 1460 C GLY A 92 -6.909 -18.341 -5.125 1.00 0.81 C ATOM 1461 O GLY A 92 -6.127 -19.017 -5.798 1.00 0.92 O ATOM 0 H GLY A 92 -6.851 -16.580 -2.937 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -6.069 -18.791 -3.207 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -7.710 -19.366 -3.424 1.00 0.82 H new ATOM 1465 N PHE A 93 -7.684 -17.386 -5.617 1.00 0.76 N ATOM 1466 CA PHE A 93 -7.695 -16.999 -7.013 1.00 0.78 C ATOM 1467 C PHE A 93 -8.459 -15.685 -7.133 1.00 0.69 C ATOM 1468 O PHE A 93 -9.600 -15.587 -6.685 1.00 0.82 O ATOM 1469 CB PHE A 93 -8.331 -18.092 -7.892 1.00 1.00 C ATOM 1470 CG PHE A 93 -9.748 -18.448 -7.524 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -10.010 -19.318 -6.476 1.00 2.41 C ATOM 1472 CD2 PHE A 93 -10.817 -17.914 -8.227 1.00 2.59 C ATOM 1473 CE1 PHE A 93 -11.308 -19.644 -6.136 1.00 3.46 C ATOM 1474 CE2 PHE A 93 -12.117 -18.238 -7.891 1.00 3.60 C ATOM 1475 CZ PHE A 93 -12.361 -19.103 -6.844 1.00 3.91 C ATOM 0 H PHE A 93 -8.334 -16.850 -5.043 1.00 0.76 H new ATOM 0 HA PHE A 93 -6.672 -16.869 -7.367 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -8.311 -17.762 -8.931 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -7.717 -18.991 -7.832 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -9.189 -19.745 -5.919 1.00 2.41 H new ATOM 0 HD2 PHE A 93 -10.631 -17.237 -9.047 1.00 2.59 H new ATOM 0 HE1 PHE A 93 -11.499 -20.322 -5.317 1.00 3.46 H new ATOM 0 HE2 PHE A 93 -12.941 -17.815 -8.447 1.00 3.60 H new ATOM 0 HZ PHE A 93 -13.377 -19.357 -6.579 1.00 3.91 H new ATOM 1485 N PRO A 94 -7.826 -14.647 -7.687 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.442 -13.323 -7.799 1.00 0.61 C ATOM 1487 C PRO A 94 -9.706 -13.343 -8.657 1.00 0.71 C ATOM 1488 O PRO A 94 -9.642 -13.511 -9.876 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.347 -12.465 -8.441 1.00 0.65 C ATOM 1490 CG PRO A 94 -6.419 -13.435 -9.087 1.00 0.84 C ATOM 1491 CD PRO A 94 -6.465 -14.674 -8.241 1.00 0.83 C ATOM 0 HA PRO A 94 -8.771 -12.941 -6.833 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -7.766 -11.774 -9.173 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -6.830 -11.863 -7.694 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -6.728 -13.649 -10.110 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -5.407 -13.033 -9.137 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -6.288 -15.573 -8.832 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -5.709 -14.655 -7.456 1.00 0.83 H new ATOM 1499 N ASP A 95 -10.855 -13.185 -8.009 1.00 0.71 N ATOM 1500 CA ASP A 95 -12.143 -13.250 -8.698 1.00 0.88 C ATOM 1501 C ASP A 95 -13.034 -12.064 -8.325 1.00 0.84 C ATOM 1502 O ASP A 95 -14.146 -11.913 -8.828 1.00 0.96 O ATOM 1503 CB ASP A 95 -12.843 -14.576 -8.377 1.00 1.12 C ATOM 1504 CG ASP A 95 -14.145 -14.756 -9.134 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -14.109 -14.830 -10.383 1.00 2.16 O ATOM 1506 OD2 ASP A 95 -15.210 -14.839 -8.483 1.00 2.40 O ATOM 0 H ASP A 95 -10.923 -13.011 -7.006 1.00 0.71 H new ATOM 0 HA ASP A 95 -11.959 -13.198 -9.771 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.173 -15.402 -8.616 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -13.041 -14.626 -7.306 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.520 -11.200 -7.469 1.00 0.81 N ATOM 1512 CA LYS A 96 -13.229 -9.984 -7.081 1.00 0.86 C ATOM 1513 C LYS A 96 -12.842 -8.867 -8.024 1.00 0.84 C ATOM 1514 O LYS A 96 -13.262 -7.723 -7.885 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.879 -9.588 -5.644 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.450 -9.905 -5.255 1.00 0.94 C ATOM 1517 CD LYS A 96 -11.119 -9.382 -3.866 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.806 -9.941 -3.364 1.00 0.84 C ATOM 1519 NZ LYS A 96 -8.692 -9.572 -4.264 1.00 1.86 N ATOM 0 H LYS A 96 -11.609 -11.315 -7.024 1.00 0.81 H new ATOM 0 HA LYS A 96 -14.302 -10.166 -7.135 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -13.051 -8.519 -5.519 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -13.555 -10.102 -4.960 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -11.295 -10.983 -5.285 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -10.768 -9.465 -5.982 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -11.068 -8.293 -3.888 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -11.918 -9.650 -3.175 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -9.607 -9.565 -2.361 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -9.874 -11.026 -3.290 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -7.835 -9.395 -3.702 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -8.513 -10.349 -4.932 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -8.943 -8.712 -4.792 1.00 1.86 H new ATOM 1663 N SER B 3 8.409 -3.125 12.933 1.00 0.80 N ATOM 1664 CA SER B 3 7.888 -4.386 13.478 1.00 0.78 C ATOM 1665 C SER B 3 6.405 -4.662 13.058 1.00 0.65 C ATOM 1666 O SER B 3 6.025 -4.336 11.948 1.00 0.83 O ATOM 1667 CB SER B 3 8.095 -4.277 14.990 1.00 0.97 C ATOM 1668 OG SER B 3 9.313 -3.600 15.272 1.00 1.18 O ATOM 0 HA SER B 3 8.414 -5.252 13.077 1.00 0.78 H new ATOM 0 HB2 SER B 3 7.260 -3.741 15.441 1.00 0.97 H new ATOM 0 HB3 SER B 3 8.112 -5.272 15.435 1.00 0.97 H new ATOM 0 HG SER B 3 9.513 -2.972 14.547 1.00 1.18 H new ATOM 1674 N PRO B 4 5.586 -5.440 13.820 1.00 0.67 N ATOM 1675 CA PRO B 4 4.150 -5.612 13.534 1.00 0.62 C ATOM 1676 C PRO B 4 3.414 -4.433 12.840 1.00 0.47 C ATOM 1677 O PRO B 4 2.297 -4.627 12.407 1.00 0.50 O ATOM 1678 CB PRO B 4 3.589 -5.851 14.924 1.00 0.79 C ATOM 1679 CG PRO B 4 4.619 -6.712 15.563 1.00 0.97 C ATOM 1680 CD PRO B 4 5.949 -6.265 15.002 1.00 0.88 C ATOM 0 HA PRO B 4 4.006 -6.406 12.801 1.00 0.62 H new ATOM 0 HB2 PRO B 4 3.451 -4.917 15.469 1.00 0.79 H new ATOM 0 HB3 PRO B 4 2.618 -6.345 14.887 1.00 0.79 H new ATOM 0 HG2 PRO B 4 4.598 -6.604 16.647 1.00 0.97 H new ATOM 0 HG3 PRO B 4 4.438 -7.764 15.343 1.00 0.97 H new ATOM 0 HD2 PRO B 4 6.516 -5.687 15.732 1.00 0.88 H new ATOM 0 HD3 PRO B 4 6.568 -7.116 14.719 1.00 0.88 H new ATOM 1688 N LEU B 5 3.993 -3.224 12.773 1.00 0.36 N ATOM 1689 CA LEU B 5 3.413 -2.133 11.970 1.00 0.32 C ATOM 1690 C LEU B 5 3.351 -2.480 10.486 1.00 0.30 C ATOM 1691 O LEU B 5 2.311 -2.308 9.861 1.00 0.32 O ATOM 1692 CB LEU B 5 4.185 -0.827 12.137 1.00 0.32 C ATOM 1693 CG LEU B 5 3.816 0.281 11.135 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.732 1.618 11.845 1.00 0.41 C ATOM 1695 CD2 LEU B 5 4.832 0.364 10.007 1.00 0.27 C ATOM 0 H LEU B 5 4.855 -2.977 13.260 1.00 0.36 H new ATOM 0 HA LEU B 5 2.399 -2.000 12.346 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.020 -0.452 13.147 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.250 -1.038 12.046 1.00 0.32 H new ATOM 0 HG LEU B 5 2.845 0.035 10.705 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.470 2.395 11.127 1.00 0.41 H new ATOM 0 HD12 LEU B 5 2.969 1.570 12.622 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.696 1.851 12.297 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.544 1.156 9.315 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.817 0.583 10.420 1.00 0.27 H new ATOM 0 HD23 LEU B 5 4.865 -0.587 9.476 1.00 0.27 H new ATOM 1707 N GLU B 6 4.455 -2.939 9.901 1.00 0.35 N ATOM 1708 CA GLU B 6 4.427 -3.324 8.495 1.00 0.42 C ATOM 1709 C GLU B 6 3.460 -4.499 8.332 1.00 0.34 C ATOM 1710 O GLU B 6 2.685 -4.605 7.370 1.00 0.32 O ATOM 1711 CB GLU B 6 5.814 -3.702 7.981 1.00 0.62 C ATOM 1712 CG GLU B 6 6.820 -2.558 7.976 1.00 1.80 C ATOM 1713 CD GLU B 6 6.424 -1.398 7.081 1.00 2.84 C ATOM 1714 OE1 GLU B 6 6.035 -1.648 5.923 1.00 3.32 O ATOM 1715 OE2 GLU B 6 6.525 -0.231 7.529 1.00 3.61 O ATOM 0 H GLU B 6 5.357 -3.051 10.365 1.00 0.35 H new ATOM 0 HA GLU B 6 4.091 -2.472 7.904 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.207 -4.512 8.596 1.00 0.62 H new ATOM 0 HB3 GLU B 6 5.718 -4.089 6.967 1.00 0.62 H new ATOM 0 HG2 GLU B 6 6.945 -2.192 8.995 1.00 1.80 H new ATOM 0 HG3 GLU B 6 7.789 -2.940 7.653 1.00 1.80 H new ATOM 1722 N LYS B 7 3.483 -5.364 9.327 1.00 0.35 N ATOM 1723 CA LYS B 7 2.554 -6.474 9.398 1.00 0.36 C ATOM 1724 C LYS B 7 1.143 -5.949 9.676 1.00 0.32 C ATOM 1725 O LYS B 7 0.156 -6.637 9.455 1.00 0.35 O ATOM 1726 CB LYS B 7 3.002 -7.483 10.462 1.00 0.44 C ATOM 1727 CG LYS B 7 4.468 -7.913 10.346 1.00 0.64 C ATOM 1728 CD LYS B 7 4.720 -8.863 9.171 1.00 0.80 C ATOM 1729 CE LYS B 7 4.660 -8.156 7.823 1.00 1.78 C ATOM 1730 NZ LYS B 7 3.488 -8.599 7.020 1.00 2.82 N ATOM 0 H LYS B 7 4.142 -5.318 10.104 1.00 0.35 H new ATOM 0 HA LYS B 7 2.541 -6.996 8.441 1.00 0.36 H new ATOM 0 HB2 LYS B 7 2.840 -7.049 11.449 1.00 0.44 H new ATOM 0 HB3 LYS B 7 2.370 -8.368 10.395 1.00 0.44 H new ATOM 0 HG2 LYS B 7 5.093 -7.027 10.231 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.773 -8.400 11.272 1.00 0.64 H new ATOM 0 HD2 LYS B 7 5.698 -9.330 9.289 1.00 0.80 H new ATOM 0 HD3 LYS B 7 3.980 -9.663 9.191 1.00 0.80 H new ATOM 0 HE2 LYS B 7 4.607 -7.079 7.979 1.00 1.78 H new ATOM 0 HE3 LYS B 7 5.577 -8.353 7.268 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 3.164 -7.815 6.418 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 3.761 -9.405 6.422 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 2.719 -8.887 7.658 1.00 2.82 H new ATOM 1744 N ALA B 8 1.068 -4.725 10.183 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.203 -4.064 10.453 1.00 0.29 C ATOM 1746 C ALA B 8 -0.797 -3.488 9.181 1.00 0.27 C ATOM 1747 O ALA B 8 -1.999 -3.282 9.104 1.00 0.28 O ATOM 1748 CB ALA B 8 -0.056 -2.979 11.505 1.00 0.32 C ATOM 0 H ALA B 8 1.886 -4.163 10.419 1.00 0.29 H new ATOM 0 HA ALA B 8 -0.884 -4.820 10.843 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -1.024 -2.508 11.680 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.307 -3.419 12.434 1.00 0.32 H new ATOM 0 HB3 ALA B 8 0.655 -2.229 11.157 1.00 0.32 H new ATOM 1754 N LEU B 9 0.040 -3.195 8.187 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.496 -2.912 6.853 1.00 0.25 C ATOM 1756 C LEU B 9 -1.161 -4.182 6.349 1.00 0.25 C ATOM 1757 O LEU B 9 -2.157 -4.159 5.631 1.00 0.26 O ATOM 1758 CB LEU B 9 0.572 -2.478 5.840 1.00 0.26 C ATOM 1759 CG LEU B 9 1.882 -1.964 6.419 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.874 -1.693 5.309 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.677 -0.713 7.256 1.00 0.27 C ATOM 0 H LEU B 9 1.055 -3.147 8.271 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.193 -2.079 6.944 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.794 -3.326 5.192 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.147 -1.697 5.209 1.00 0.26 H new ATOM 0 HG LEU B 9 2.279 -2.739 7.075 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.807 -1.326 5.736 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.065 -2.614 4.759 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.466 -0.943 4.631 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.636 -0.378 7.651 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.246 0.073 6.636 1.00 0.27 H new ATOM 0 HD23 LEU B 9 1.002 -0.935 8.082 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.591 -5.306 6.743 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.226 -6.598 6.476 1.00 0.28 C ATOM 1775 C ASP B 10 -2.522 -6.724 7.291 1.00 0.27 C ATOM 1776 O ASP B 10 -3.528 -7.278 6.827 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.272 -7.747 6.796 1.00 0.33 C ATOM 1778 CG ASP B 10 -0.870 -9.101 6.489 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -0.988 -9.443 5.296 1.00 1.18 O ATOM 1780 OD2 ASP B 10 -1.206 -9.839 7.438 1.00 1.15 O ATOM 0 H ASP B 10 0.297 -5.359 7.242 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.473 -6.653 5.416 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.647 -7.622 6.224 1.00 0.33 H new ATOM 0 HB3 ASP B 10 0.001 -7.705 7.850 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.500 -6.180 8.502 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.694 -6.099 9.329 1.00 0.27 C ATOM 1787 C VAL B 11 -4.712 -5.151 8.688 1.00 0.27 C ATOM 1788 O VAL B 11 -5.905 -5.229 8.957 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.347 -5.632 10.762 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.601 -5.424 11.590 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.429 -6.636 11.443 1.00 0.31 C ATOM 0 H VAL B 11 -1.663 -5.787 8.933 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.132 -7.095 9.399 1.00 0.27 H new ATOM 0 HB VAL B 11 -2.828 -4.676 10.685 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.325 -5.096 12.592 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.226 -4.665 11.119 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.154 -6.361 11.654 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.196 -6.291 12.450 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -2.926 -7.605 11.498 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.507 -6.733 10.870 1.00 0.31 H new ATOM 1801 N MET B 12 -4.224 -4.257 7.838 1.00 0.26 N ATOM 1802 CA MET B 12 -5.084 -3.395 7.034 1.00 0.29 C ATOM 1803 C MET B 12 -5.868 -4.222 6.017 1.00 0.29 C ATOM 1804 O MET B 12 -7.025 -3.924 5.720 1.00 0.33 O ATOM 1805 CB MET B 12 -4.260 -2.308 6.339 1.00 0.32 C ATOM 1806 CG MET B 12 -4.976 -1.633 5.186 1.00 0.98 C ATOM 1807 SD MET B 12 -4.878 -2.566 3.632 1.00 2.23 S ATOM 1808 CE MET B 12 -3.132 -2.446 3.255 1.00 2.75 C ATOM 0 H MET B 12 -3.226 -4.108 7.686 1.00 0.26 H new ATOM 0 HA MET B 12 -5.798 -2.904 7.695 1.00 0.29 H new ATOM 0 HB2 MET B 12 -3.982 -1.552 7.073 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.334 -2.749 5.970 1.00 0.32 H new ATOM 0 HG2 MET B 12 -6.024 -1.492 5.451 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.550 -0.642 5.034 1.00 0.98 H new ATOM 0 HE1 MET B 12 -3.002 -1.982 2.277 1.00 2.75 H new ATOM 0 HE2 MET B 12 -2.637 -1.839 4.013 1.00 2.75 H new ATOM 0 HE3 MET B 12 -2.693 -3.443 3.245 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.241 -5.259 5.476 1.00 0.29 N ATOM 1819 CA VAL B 13 -5.972 -6.223 4.657 1.00 0.31 C ATOM 1820 C VAL B 13 -7.143 -6.777 5.477 1.00 0.27 C ATOM 1821 O VAL B 13 -8.260 -6.975 4.976 1.00 0.27 O ATOM 1822 CB VAL B 13 -5.064 -7.383 4.183 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.834 -8.355 3.301 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.847 -6.842 3.444 1.00 0.42 C ATOM 0 H VAL B 13 -4.246 -5.454 5.585 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.337 -5.713 3.765 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.722 -7.925 5.065 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.172 -9.160 2.982 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.669 -8.773 3.863 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.214 -7.829 2.425 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.220 -7.672 3.118 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.173 -6.271 2.575 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.275 -6.195 4.109 1.00 0.42 H new ATOM 1834 N SER B 14 -6.883 -6.986 6.760 1.00 0.26 N ATOM 1835 CA SER B 14 -7.934 -7.375 7.689 1.00 0.26 C ATOM 1836 C SER B 14 -8.921 -6.226 7.934 1.00 0.25 C ATOM 1837 O SER B 14 -10.112 -6.470 8.139 1.00 0.25 O ATOM 1838 CB SER B 14 -7.324 -7.856 9.004 1.00 0.31 C ATOM 1839 OG SER B 14 -6.382 -8.890 8.772 1.00 1.18 O ATOM 0 H SER B 14 -5.958 -6.893 7.180 1.00 0.26 H new ATOM 0 HA SER B 14 -8.494 -8.196 7.241 1.00 0.26 H new ATOM 0 HB2 SER B 14 -6.839 -7.022 9.512 1.00 0.31 H new ATOM 0 HB3 SER B 14 -8.112 -8.217 9.665 1.00 0.31 H new ATOM 0 HG SER B 14 -6.001 -9.183 9.626 1.00 1.18 H new ATOM 1845 N THR B 15 -8.427 -4.983 7.904 1.00 0.28 N ATOM 1846 CA THR B 15 -9.291 -3.805 7.962 1.00 0.32 C ATOM 1847 C THR B 15 -10.373 -3.921 6.904 1.00 0.28 C ATOM 1848 O THR B 15 -11.562 -3.696 7.164 1.00 0.29 O ATOM 1849 CB THR B 15 -8.503 -2.495 7.717 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.467 -2.335 8.694 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.426 -1.286 7.755 1.00 0.93 C ATOM 0 H THR B 15 -7.432 -4.770 7.840 1.00 0.28 H new ATOM 0 HA THR B 15 -9.723 -3.765 8.962 1.00 0.32 H new ATOM 0 HB THR B 15 -8.053 -2.564 6.726 1.00 0.45 H new ATOM 0 HG1 THR B 15 -6.954 -1.524 8.497 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.846 -0.380 7.580 1.00 0.93 H new ATOM 0 HG22 THR B 15 -10.187 -1.385 6.981 1.00 0.93 H new ATOM 0 HG23 THR B 15 -9.907 -1.226 8.731 1.00 0.93 H new ATOM 1859 N PHE B 16 -9.943 -4.319 5.718 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.834 -4.454 4.592 1.00 0.27 C ATOM 1861 C PHE B 16 -11.960 -5.435 4.881 1.00 0.29 C ATOM 1862 O PHE B 16 -13.125 -5.049 4.897 1.00 0.37 O ATOM 1863 CB PHE B 16 -10.063 -4.886 3.348 1.00 0.34 C ATOM 1864 CG PHE B 16 -10.927 -4.948 2.128 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.606 -6.108 1.804 1.00 1.73 C ATOM 1866 CD2 PHE B 16 -11.072 -3.843 1.314 1.00 1.65 C ATOM 1867 CE1 PHE B 16 -12.412 -6.164 0.691 1.00 2.34 C ATOM 1868 CE2 PHE B 16 -11.879 -3.892 0.201 1.00 2.27 C ATOM 1869 CZ PHE B 16 -12.549 -5.054 -0.110 1.00 2.36 C ATOM 0 H PHE B 16 -8.971 -4.555 5.516 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.282 -3.477 4.410 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.243 -4.189 3.173 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.617 -5.865 3.523 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -11.502 -6.980 2.432 1.00 1.73 H new ATOM 0 HD2 PHE B 16 -10.546 -2.930 1.553 1.00 1.65 H new ATOM 0 HE1 PHE B 16 -12.936 -7.076 0.447 1.00 2.34 H new ATOM 0 HE2 PHE B 16 -11.987 -3.021 -0.428 1.00 2.27 H new ATOM 0 HZ PHE B 16 -13.183 -5.094 -0.984 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.620 -6.697 5.142 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.656 -7.724 5.310 1.00 0.40 C ATOM 1881 C HIS B 17 -13.522 -7.443 6.537 1.00 0.36 C ATOM 1882 O HIS B 17 -14.631 -7.963 6.663 1.00 0.42 O ATOM 1883 CB HIS B 17 -12.054 -9.142 5.356 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.279 -9.502 6.597 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -11.650 -9.560 7.899 1.00 1.54 N flip ATOM 1886 CD2 HIS B 17 -9.973 -9.942 6.560 1.00 1.77 C flip ATOM 1887 CE1 HIS B 17 -10.577 -10.030 8.612 1.00 2.03 C flip ATOM 1888 NE2 HIS B 17 -9.580 -10.254 7.780 1.00 2.20 N flip ATOM 0 H HIS B 17 -10.661 -7.031 5.240 1.00 0.31 H new ATOM 0 HA HIS B 17 -13.302 -7.679 4.433 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -12.865 -9.861 5.239 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -11.396 -9.261 4.496 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -9.366 -10.019 5.670 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -10.553 -10.190 9.680 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -8.659 -10.609 8.036 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.009 -6.607 7.428 1.00 0.34 N ATOM 1898 CA LYS B 18 -13.752 -6.174 8.600 1.00 0.39 C ATOM 1899 C LYS B 18 -14.954 -5.330 8.192 1.00 0.37 C ATOM 1900 O LYS B 18 -16.054 -5.506 8.714 1.00 0.47 O ATOM 1901 CB LYS B 18 -12.823 -5.385 9.525 1.00 0.43 C ATOM 1902 CG LYS B 18 -13.527 -4.452 10.502 1.00 0.54 C ATOM 1903 CD LYS B 18 -12.524 -3.750 11.408 1.00 0.73 C ATOM 1904 CE LYS B 18 -11.274 -3.349 10.640 1.00 0.79 C ATOM 1905 NZ LYS B 18 -10.369 -2.473 11.426 1.00 1.28 N ATOM 0 H LYS B 18 -12.071 -6.212 7.359 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.126 -7.049 9.132 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.216 -6.090 10.093 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.139 -4.797 8.913 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.104 -3.710 9.950 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -14.233 -5.020 11.107 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -12.984 -2.864 11.847 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -12.252 -4.409 12.232 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -10.733 -4.247 10.342 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -11.566 -2.834 9.725 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -10.263 -1.559 10.941 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -10.771 -2.318 12.372 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -9.438 -2.927 11.516 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.747 -4.425 7.245 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.816 -3.540 6.809 1.00 0.29 C ATOM 1921 C TYR B 19 -16.557 -4.073 5.600 1.00 0.33 C ATOM 1922 O TYR B 19 -17.715 -3.746 5.427 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.289 -2.138 6.536 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.038 -1.354 7.797 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -13.881 -1.545 8.530 1.00 1.23 C ATOM 1926 CD2 TYR B 19 -15.964 -0.431 8.259 1.00 1.28 C ATOM 1927 CE1 TYR B 19 -13.651 -0.840 9.688 1.00 1.26 C ATOM 1928 CE2 TYR B 19 -15.738 0.282 9.418 1.00 1.35 C ATOM 1929 CZ TYR B 19 -14.579 0.072 10.129 1.00 0.62 C ATOM 1930 OH TYR B 19 -14.340 0.779 11.287 1.00 0.79 O ATOM 0 H TYR B 19 -13.856 -4.286 6.768 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.532 -3.492 7.629 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.362 -2.207 5.966 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -16.005 -1.600 5.915 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.147 -2.259 8.188 1.00 1.23 H new ATOM 0 HD2 TYR B 19 -16.876 -0.268 7.703 1.00 1.28 H new ATOM 0 HE1 TYR B 19 -12.743 -1.003 10.250 1.00 1.26 H new ATOM 0 HE2 TYR B 19 -16.466 1.000 9.765 1.00 1.35 H new ATOM 0 HH TYR B 19 -13.547 1.342 11.169 1.00 0.79 H new ATOM 1940 N SER B 20 -15.904 -4.885 4.777 1.00 0.29 N ATOM 1941 CA SER B 20 -16.569 -5.484 3.624 1.00 0.32 C ATOM 1942 C SER B 20 -17.474 -6.614 4.070 1.00 0.40 C ATOM 1943 O SER B 20 -18.410 -7.001 3.378 1.00 0.60 O ATOM 1944 CB SER B 20 -15.541 -6.019 2.637 1.00 0.35 C ATOM 1945 OG SER B 20 -14.657 -4.997 2.239 1.00 0.86 O ATOM 0 H SER B 20 -14.923 -5.143 4.884 1.00 0.29 H new ATOM 0 HA SER B 20 -17.167 -4.714 3.136 1.00 0.32 H new ATOM 0 HB2 SER B 20 -14.980 -6.835 3.094 1.00 0.35 H new ATOM 0 HB3 SER B 20 -16.047 -6.430 1.764 1.00 0.35 H new ATOM 0 HG SER B 20 -14.178 -5.275 1.431 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.196 -7.145 5.241 1.00 0.37 N ATOM 1952 CA GLY B 21 -17.978 -8.247 5.731 1.00 0.43 C ATOM 1953 C GLY B 21 -19.229 -7.798 6.453 1.00 0.41 C ATOM 1954 O GLY B 21 -19.726 -8.501 7.337 1.00 0.46 O ATOM 0 H GLY B 21 -16.446 -6.835 5.859 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.256 -8.890 4.896 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.369 -8.848 6.407 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.738 -6.631 6.091 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.940 -6.107 6.715 1.00 0.46 C ATOM 1960 C LYS B 22 -22.123 -6.171 5.756 1.00 0.52 C ATOM 1961 O LYS B 22 -23.191 -6.690 6.091 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.719 -4.668 7.155 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.468 -4.458 7.989 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.394 -3.036 8.520 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.527 -2.006 7.410 1.00 0.49 C ATOM 1966 NZ LYS B 22 -19.627 -0.632 7.958 1.00 1.08 N ATOM 0 H LYS B 22 -19.338 -6.031 5.370 1.00 0.41 H new ATOM 0 HA LYS B 22 -21.163 -6.722 7.587 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.663 -4.034 6.270 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.585 -4.338 7.729 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.461 -5.161 8.822 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.585 -4.670 7.385 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -20.185 -2.882 9.254 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.446 -2.891 9.037 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -18.666 -2.072 6.745 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -20.411 -2.226 6.811 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -19.967 0.013 7.217 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -20.293 -0.624 8.756 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -18.691 -0.320 8.286 1.00 1.08 H new ATOM 1980 N GLU B 23 -21.914 -5.649 4.562 1.00 0.47 N ATOM 1981 CA GLU B 23 -22.953 -5.532 3.555 1.00 0.54 C ATOM 1982 C GLU B 23 -22.375 -5.891 2.188 1.00 0.58 C ATOM 1983 O GLU B 23 -21.167 -5.850 1.996 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.490 -4.093 3.554 1.00 0.67 C ATOM 1985 CG GLU B 23 -24.588 -3.826 2.539 1.00 1.15 C ATOM 1986 CD GLU B 23 -25.818 -4.674 2.775 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -25.870 -5.811 2.263 1.00 2.38 O ATOM 1988 OE2 GLU B 23 -26.739 -4.208 3.470 1.00 1.96 O ATOM 0 H GLU B 23 -21.008 -5.290 4.260 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.772 -6.216 3.777 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -23.869 -3.861 4.549 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -22.662 -3.411 3.361 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -24.865 -2.772 2.578 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -24.206 -4.018 1.537 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.229 -6.261 1.249 1.00 0.72 N ATOM 1996 CA GLY B 24 -22.768 -6.535 -0.098 1.00 0.85 C ATOM 1997 C GLY B 24 -21.958 -7.814 -0.201 1.00 0.79 C ATOM 1998 O GLY B 24 -22.517 -8.892 -0.413 1.00 0.92 O ATOM 0 H GLY B 24 -24.232 -6.377 1.393 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -23.629 -6.602 -0.764 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -22.161 -5.699 -0.445 1.00 0.85 H new ATOM 2002 N ASP B 25 -20.645 -7.703 -0.031 1.00 0.71 N ATOM 2003 CA ASP B 25 -19.746 -8.835 -0.222 1.00 0.70 C ATOM 2004 C ASP B 25 -18.486 -8.667 0.623 1.00 0.73 C ATOM 2005 O ASP B 25 -17.984 -7.565 0.783 1.00 1.34 O ATOM 2006 CB ASP B 25 -19.378 -8.961 -1.702 1.00 0.72 C ATOM 2007 CG ASP B 25 -18.575 -10.207 -2.002 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -19.185 -11.271 -2.232 1.00 1.75 O ATOM 2009 OD2 ASP B 25 -17.336 -10.130 -2.018 1.00 1.64 O ATOM 0 H ASP B 25 -20.178 -6.837 0.240 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.254 -9.745 0.098 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -20.290 -8.969 -2.299 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.806 -8.084 -2.006 1.00 0.72 H new ATOM 2014 N LYS B 26 -17.953 -9.781 1.115 1.00 0.61 N ATOM 2015 CA LYS B 26 -16.847 -9.772 2.079 1.00 0.56 C ATOM 2016 C LYS B 26 -15.538 -9.439 1.400 1.00 0.49 C ATOM 2017 O LYS B 26 -14.499 -9.301 2.046 1.00 0.55 O ATOM 2018 CB LYS B 26 -16.714 -11.137 2.750 1.00 0.71 C ATOM 2019 CG LYS B 26 -17.731 -11.393 3.841 1.00 1.03 C ATOM 2020 CD LYS B 26 -17.111 -11.187 5.211 1.00 0.70 C ATOM 2021 CE LYS B 26 -16.123 -12.295 5.553 1.00 0.94 C ATOM 2022 NZ LYS B 26 -16.762 -13.638 5.539 1.00 1.56 N ATOM 0 H LYS B 26 -18.272 -10.716 0.860 1.00 0.61 H new ATOM 0 HA LYS B 26 -17.070 -9.010 2.826 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -16.809 -11.913 1.991 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -15.713 -11.225 3.173 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -18.582 -10.723 3.717 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -18.112 -12.411 3.758 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -16.602 -10.224 5.239 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -17.897 -11.154 5.965 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -15.299 -12.279 4.839 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -15.695 -12.108 6.538 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -16.475 -14.168 6.387 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -17.796 -13.530 5.531 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -16.462 -14.156 4.689 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.602 -9.333 0.096 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.429 -9.105 -0.710 1.00 0.43 C ATOM 2038 C PHE B 27 -14.529 -7.769 -1.417 1.00 0.39 C ATOM 2039 O PHE B 27 -13.655 -7.417 -2.214 1.00 0.40 O ATOM 2040 CB PHE B 27 -14.261 -10.237 -1.730 1.00 0.49 C ATOM 2041 CG PHE B 27 -13.865 -11.556 -1.121 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -14.799 -12.346 -0.469 1.00 1.76 C ATOM 2043 CD2 PHE B 27 -12.557 -12.006 -1.206 1.00 1.28 C ATOM 2044 CE1 PHE B 27 -14.434 -13.557 0.091 1.00 2.08 C ATOM 2045 CE2 PHE B 27 -12.187 -13.215 -0.649 1.00 1.59 C ATOM 2046 CZ PHE B 27 -13.127 -13.992 0.000 1.00 1.65 C ATOM 0 H PHE B 27 -16.469 -9.402 -0.437 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.555 -9.088 -0.060 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -15.198 -10.365 -2.272 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -13.507 -9.945 -2.461 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -15.824 -12.012 -0.397 1.00 1.76 H new ATOM 0 HD2 PHE B 27 -11.818 -11.404 -1.714 1.00 1.28 H new ATOM 0 HE1 PHE B 27 -15.171 -14.162 0.599 1.00 2.08 H new ATOM 0 HE2 PHE B 27 -11.164 -13.552 -0.721 1.00 1.59 H new ATOM 0 HZ PHE B 27 -12.840 -14.938 0.435 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.582 -7.014 -1.110 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.786 -5.720 -1.735 1.00 0.36 C ATOM 2058 C LYS B 28 -16.511 -4.745 -0.822 1.00 0.34 C ATOM 2059 O LYS B 28 -17.522 -5.076 -0.217 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.566 -5.823 -3.043 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.835 -6.518 -4.172 1.00 0.49 C ATOM 2062 CD LYS B 28 -16.404 -6.091 -5.511 1.00 0.56 C ATOM 2063 CE LYS B 28 -15.751 -6.827 -6.657 1.00 0.86 C ATOM 2064 NZ LYS B 28 -16.031 -6.170 -7.958 1.00 1.70 N ATOM 0 H LYS B 28 -16.300 -7.279 -0.436 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.784 -5.345 -1.941 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -17.498 -6.355 -2.852 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.834 -4.818 -3.369 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.773 -6.278 -4.128 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -15.923 -7.599 -4.060 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -17.478 -6.276 -5.525 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -16.263 -5.018 -5.641 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -14.674 -6.871 -6.495 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -16.112 -7.855 -6.683 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -16.024 -6.883 -8.715 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -16.964 -5.712 -7.922 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -15.301 -5.454 -8.150 1.00 1.70 H new ATOM 2078 N LEU B 29 -15.995 -3.531 -0.771 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.621 -2.450 -0.043 1.00 0.28 C ATOM 2080 C LEU B 29 -17.551 -1.687 -0.957 1.00 0.30 C ATOM 2081 O LEU B 29 -17.108 -0.974 -1.862 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.575 -1.474 0.492 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.602 -2.036 1.512 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.357 -1.183 1.551 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.248 -2.083 2.885 1.00 0.25 C ATOM 0 H LEU B 29 -15.126 -3.269 -1.236 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.173 -2.885 0.790 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -15.003 -1.087 -0.351 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.093 -0.627 0.942 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.330 -3.051 1.222 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -12.660 -1.589 2.284 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -12.887 -1.180 0.567 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -13.623 -0.163 1.829 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.539 -2.488 3.607 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.537 -1.076 3.186 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.133 -2.719 2.849 1.00 0.25 H new ATOM 2097 N ASN B 30 -18.830 -1.834 -0.722 1.00 0.31 N ATOM 2098 CA ASN B 30 -19.821 -1.032 -1.408 1.00 0.35 C ATOM 2099 C ASN B 30 -19.771 0.370 -0.840 1.00 0.32 C ATOM 2100 O ASN B 30 -19.092 0.595 0.159 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.205 -1.663 -1.260 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.484 -2.109 0.156 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -20.924 -3.252 0.528 1.00 0.55 O flip ATOM 2104 ND2 ASN B 30 -22.153 -1.412 0.923 1.00 0.42 N flip ATOM 0 H ASN B 30 -19.215 -2.505 -0.057 1.00 0.31 H new ATOM 0 HA ASN B 30 -19.609 -0.986 -2.476 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -21.964 -0.944 -1.568 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.285 -2.519 -1.930 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -22.565 -0.540 0.591 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -22.294 -1.708 1.889 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.460 1.311 -1.464 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.298 2.718 -1.105 1.00 0.34 C ATOM 2113 C LYS B 31 -20.525 2.942 0.389 1.00 0.31 C ATOM 2114 O LYS B 31 -19.815 3.726 1.020 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.248 3.618 -1.894 1.00 0.41 C ATOM 2116 CG LYS B 31 -21.006 3.646 -3.394 1.00 0.68 C ATOM 2117 CD LYS B 31 -21.701 4.837 -4.034 1.00 0.71 C ATOM 2118 CE LYS B 31 -21.642 4.774 -5.552 1.00 1.15 C ATOM 2119 NZ LYS B 31 -22.461 3.657 -6.096 1.00 1.99 N ATOM 0 H LYS B 31 -21.130 1.134 -2.213 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.271 2.983 -1.357 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.271 3.289 -1.712 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.166 4.634 -1.509 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -19.935 3.695 -3.593 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -21.372 2.722 -3.843 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -22.742 4.868 -3.711 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -21.233 5.759 -3.690 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -21.994 5.718 -5.968 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -20.606 4.652 -5.870 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -21.994 3.262 -6.937 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -22.559 2.915 -5.374 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -23.403 4.012 -6.357 1.00 1.99 H new ATOM 2133 N SER B 32 -21.506 2.236 0.945 1.00 0.34 N ATOM 2134 CA SER B 32 -21.806 2.328 2.367 1.00 0.37 C ATOM 2135 C SER B 32 -20.582 1.936 3.188 1.00 0.34 C ATOM 2136 O SER B 32 -20.130 2.688 4.051 1.00 0.37 O ATOM 2137 CB SER B 32 -22.992 1.422 2.723 1.00 0.45 C ATOM 2138 OG SER B 32 -23.333 1.527 4.098 1.00 1.33 O ATOM 0 H SER B 32 -22.107 1.593 0.429 1.00 0.34 H new ATOM 0 HA SER B 32 -22.073 3.359 2.600 1.00 0.37 H new ATOM 0 HB2 SER B 32 -23.853 1.692 2.112 1.00 0.45 H new ATOM 0 HB3 SER B 32 -22.745 0.387 2.486 1.00 0.45 H new ATOM 0 HG SER B 32 -24.093 0.939 4.292 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.039 0.766 2.890 1.00 0.32 N ATOM 2145 CA GLU B 33 -18.893 0.246 3.613 1.00 0.34 C ATOM 2146 C GLU B 33 -17.660 1.091 3.353 1.00 0.30 C ATOM 2147 O GLU B 33 -16.876 1.344 4.265 1.00 0.32 O ATOM 2148 CB GLU B 33 -18.624 -1.186 3.196 1.00 0.44 C ATOM 2149 CG GLU B 33 -19.809 -2.100 3.384 1.00 0.59 C ATOM 2150 CD GLU B 33 -19.436 -3.535 3.129 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -18.774 -3.795 2.109 1.00 2.32 O ATOM 2152 OE2 GLU B 33 -19.790 -4.394 3.958 1.00 2.15 O ATOM 0 H GLU B 33 -20.378 0.156 2.146 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.119 0.279 4.679 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.326 -1.201 2.148 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -17.783 -1.572 3.772 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -20.194 -1.996 4.399 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -20.611 -1.804 2.707 1.00 0.59 H new ATOM 2159 N LEU B 34 -17.495 1.511 2.102 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.399 2.379 1.719 1.00 0.33 C ATOM 2161 C LEU B 34 -16.372 3.611 2.615 1.00 0.29 C ATOM 2162 O LEU B 34 -15.350 3.929 3.218 1.00 0.30 O ATOM 2163 CB LEU B 34 -16.558 2.816 0.265 1.00 0.50 C ATOM 2164 CG LEU B 34 -15.417 3.676 -0.272 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.179 2.824 -0.483 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -15.830 4.365 -1.561 1.00 0.54 C ATOM 0 H LEU B 34 -18.116 1.258 1.333 1.00 0.30 H new ATOM 0 HA LEU B 34 -15.465 1.829 1.830 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -16.649 1.927 -0.359 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -17.491 3.372 0.167 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.183 4.449 0.460 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -13.370 3.446 -0.866 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -13.877 2.380 0.465 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -14.399 2.033 -1.200 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -15.004 4.974 -1.929 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.089 3.615 -2.308 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -16.694 5.002 -1.372 1.00 0.54 H new ATOM 2178 N LYS B 35 -17.517 4.285 2.702 1.00 0.28 N ATOM 2179 CA LYS B 35 -17.663 5.465 3.547 1.00 0.29 C ATOM 2180 C LYS B 35 -17.238 5.184 4.974 1.00 0.29 C ATOM 2181 O LYS B 35 -16.393 5.881 5.532 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.111 5.948 3.555 1.00 0.32 C ATOM 2183 CG LYS B 35 -19.506 6.708 2.308 1.00 0.39 C ATOM 2184 CD LYS B 35 -20.992 6.997 2.279 1.00 0.51 C ATOM 2185 CE LYS B 35 -21.333 8.041 1.234 1.00 0.70 C ATOM 2186 NZ LYS B 35 -22.799 8.243 1.125 1.00 1.29 N ATOM 0 H LYS B 35 -18.363 4.030 2.192 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.017 6.236 3.129 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -19.771 5.088 3.670 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.267 6.587 4.424 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -18.951 7.645 2.261 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.230 6.130 1.426 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.539 6.078 2.069 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -21.316 7.343 3.260 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -20.853 8.985 1.491 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -20.934 7.733 0.267 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -23.010 8.803 0.274 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -23.273 7.320 1.058 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -23.143 8.748 1.966 1.00 1.29 H new ATOM 2200 N GLU B 36 -17.824 4.155 5.553 1.00 0.29 N ATOM 2201 CA GLU B 36 -17.612 3.856 6.954 1.00 0.32 C ATOM 2202 C GLU B 36 -16.176 3.462 7.218 1.00 0.31 C ATOM 2203 O GLU B 36 -15.579 3.930 8.171 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.575 2.775 7.403 1.00 0.36 C ATOM 2205 CG GLU B 36 -20.001 3.166 7.101 1.00 0.37 C ATOM 2206 CD GLU B 36 -21.012 2.104 7.465 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.134 1.114 6.716 1.00 1.14 O ATOM 2208 OE2 GLU B 36 -21.693 2.252 8.502 1.00 1.31 O ATOM 0 H GLU B 36 -18.452 3.511 5.073 1.00 0.29 H new ATOM 0 HA GLU B 36 -17.809 4.756 7.537 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.336 1.838 6.900 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.460 2.601 8.473 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.239 4.082 7.641 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.090 3.390 6.038 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.615 2.624 6.365 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.215 2.263 6.486 1.00 0.26 C ATOM 2217 C LEU B 37 -13.356 3.520 6.394 1.00 0.27 C ATOM 2218 O LEU B 37 -12.578 3.809 7.288 1.00 0.31 O ATOM 2219 CB LEU B 37 -13.825 1.263 5.393 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.463 0.576 5.578 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.378 -0.679 4.729 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.329 1.517 5.209 1.00 0.50 C ATOM 0 H LEU B 37 -16.104 2.183 5.586 1.00 0.27 H new ATOM 0 HA LEU B 37 -14.049 1.789 7.453 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -14.595 0.494 5.337 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -13.823 1.782 4.434 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.368 0.303 6.629 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -11.406 -1.151 4.874 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.166 -1.372 5.024 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -12.501 -0.416 3.678 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.375 1.009 5.348 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.431 1.819 4.167 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.366 2.400 5.847 1.00 0.50 H new ATOM 2234 N LEU B 38 -13.529 4.272 5.318 1.00 0.27 N ATOM 2235 CA LEU B 38 -12.746 5.480 5.088 1.00 0.29 C ATOM 2236 C LEU B 38 -12.809 6.428 6.280 1.00 0.30 C ATOM 2237 O LEU B 38 -11.789 6.772 6.858 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.241 6.192 3.832 1.00 0.31 C ATOM 2239 CG LEU B 38 -12.436 5.917 2.562 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.049 6.513 2.688 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -12.347 4.425 2.281 1.00 0.43 C ATOM 0 H LEU B 38 -14.208 4.067 4.585 1.00 0.27 H new ATOM 0 HA LEU B 38 -11.707 5.181 4.953 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.277 5.902 3.655 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -13.238 7.266 4.019 1.00 0.31 H new ATOM 0 HG LEU B 38 -12.951 6.386 1.723 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -10.483 6.312 1.779 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.128 7.590 2.836 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -10.537 6.066 3.540 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -11.769 4.260 1.372 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -11.858 3.926 3.118 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -13.350 4.019 2.152 1.00 0.43 H new ATOM 2253 N THR B 39 -14.006 6.847 6.632 1.00 0.31 N ATOM 2254 CA THR B 39 -14.215 7.744 7.766 1.00 0.33 C ATOM 2255 C THR B 39 -13.655 7.186 9.082 1.00 0.34 C ATOM 2256 O THR B 39 -13.089 7.924 9.890 1.00 0.38 O ATOM 2257 CB THR B 39 -15.713 8.032 7.948 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.427 6.808 8.170 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.279 8.716 6.719 1.00 0.34 C ATOM 0 H THR B 39 -14.863 6.581 6.147 1.00 0.31 H new ATOM 0 HA THR B 39 -13.673 8.661 7.535 1.00 0.33 H new ATOM 0 HB THR B 39 -15.829 8.689 8.810 1.00 0.33 H new ATOM 0 HG1 THR B 39 -16.463 6.295 7.336 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.341 8.911 6.868 1.00 0.34 H new ATOM 0 HG22 THR B 39 -15.756 9.658 6.554 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.147 8.071 5.850 1.00 0.34 H new ATOM 2267 N ARG B 40 -13.814 5.888 9.286 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.491 5.252 10.565 1.00 0.36 C ATOM 2269 C ARG B 40 -12.027 4.837 10.669 1.00 0.40 C ATOM 2270 O ARG B 40 -11.425 4.938 11.739 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.421 4.053 10.779 1.00 0.37 C ATOM 2272 CG ARG B 40 -15.805 4.453 11.263 1.00 0.63 C ATOM 2273 CD ARG B 40 -16.795 3.305 11.157 1.00 0.56 C ATOM 2274 NE ARG B 40 -16.490 2.207 12.072 1.00 1.16 N ATOM 2275 CZ ARG B 40 -17.223 1.902 13.143 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -18.241 2.675 13.504 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -16.928 0.828 13.859 1.00 2.31 N ATOM 0 H ARG B 40 -14.168 5.244 8.578 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.648 5.987 11.354 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.515 3.502 9.843 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -13.970 3.376 11.504 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.745 4.787 12.299 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -16.165 5.298 10.676 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -17.799 3.677 11.364 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.800 2.929 10.134 1.00 0.56 H new ATOM 0 HE ARG B 40 -15.665 1.639 11.879 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.466 3.508 12.961 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -18.797 2.435 14.325 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -16.142 0.236 13.591 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -17.487 0.592 14.679 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.453 4.378 9.573 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.084 3.886 9.581 1.00 0.46 C ATOM 2293 C GLU B 41 -9.127 4.955 9.053 1.00 0.54 C ATOM 2294 O GLU B 41 -7.981 5.059 9.483 1.00 0.85 O ATOM 2295 CB GLU B 41 -9.998 2.629 8.717 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.157 1.649 8.917 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.304 1.129 10.339 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -11.873 1.834 11.195 1.00 1.30 O ATOM 2299 OE2 GLU B 41 -10.896 -0.018 10.609 1.00 1.02 O ATOM 0 H GLU B 41 -11.912 4.335 8.663 1.00 0.40 H new ATOM 0 HA GLU B 41 -9.795 3.646 10.604 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -9.964 2.924 7.668 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -9.061 2.116 8.934 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.086 2.139 8.625 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -11.020 0.801 8.246 1.00 0.53 H new ATOM 2306 N LEU B 42 -9.618 5.794 8.157 1.00 0.40 N ATOM 2307 CA LEU B 42 -8.802 6.856 7.581 1.00 0.41 C ATOM 2308 C LEU B 42 -9.406 8.241 7.839 1.00 0.37 C ATOM 2309 O LEU B 42 -9.644 8.997 6.891 1.00 0.35 O ATOM 2310 CB LEU B 42 -8.653 6.632 6.075 1.00 0.44 C ATOM 2311 CG LEU B 42 -7.776 5.447 5.673 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -8.148 4.966 4.285 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -6.308 5.841 5.713 1.00 0.74 C ATOM 0 H LEU B 42 -10.577 5.763 7.811 1.00 0.40 H new ATOM 0 HA LEU B 42 -7.824 6.823 8.062 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -9.645 6.490 5.646 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -8.239 7.536 5.629 1.00 0.44 H new ATOM 0 HG LEU B 42 -7.941 4.636 6.382 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -7.516 4.122 4.011 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -9.193 4.655 4.275 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -8.004 5.775 3.569 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -5.694 4.988 5.424 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -6.133 6.664 5.020 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.043 6.154 6.723 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.644 8.607 9.119 1.00 0.40 N ATOM 2326 CA PRO B 43 -10.221 9.908 9.477 1.00 0.43 C ATOM 2327 C PRO B 43 -9.460 11.073 8.875 1.00 0.45 C ATOM 2328 O PRO B 43 -10.038 12.101 8.553 1.00 0.49 O ATOM 2329 CB PRO B 43 -10.081 9.960 10.994 1.00 0.50 C ATOM 2330 CG PRO B 43 -10.063 8.540 11.425 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.393 7.781 10.317 1.00 0.44 C ATOM 0 HA PRO B 43 -11.244 9.995 9.110 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -9.166 10.474 11.289 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -10.911 10.500 11.449 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.519 8.423 12.362 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -11.074 8.171 11.595 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.326 7.661 10.503 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -9.812 6.781 10.208 1.00 0.44 H new ATOM 2339 N SER B 44 -8.158 10.902 8.743 1.00 0.45 N ATOM 2340 CA SER B 44 -7.303 11.950 8.231 1.00 0.47 C ATOM 2341 C SER B 44 -7.493 12.126 6.722 1.00 0.44 C ATOM 2342 O SER B 44 -7.686 13.251 6.237 1.00 0.45 O ATOM 2343 CB SER B 44 -5.852 11.625 8.566 1.00 0.51 C ATOM 2344 OG SER B 44 -4.984 12.689 8.231 1.00 0.59 O ATOM 0 H SER B 44 -7.669 10.040 8.986 1.00 0.45 H new ATOM 0 HA SER B 44 -7.574 12.894 8.703 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.765 11.407 9.630 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.548 10.726 8.030 1.00 0.51 H new ATOM 0 HG SER B 44 -4.063 12.445 8.462 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.492 11.004 5.995 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.524 11.033 4.535 1.00 0.41 C ATOM 2352 C PHE B 45 -8.715 11.828 4.030 1.00 0.41 C ATOM 2353 O PHE B 45 -8.557 12.834 3.334 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.564 9.623 3.943 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.437 9.644 2.445 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -6.238 9.999 1.847 1.00 1.81 C ATOM 2357 CD2 PHE B 45 -8.519 9.344 1.636 1.00 1.83 C ATOM 2358 CE1 PHE B 45 -6.120 10.049 0.472 1.00 2.37 C ATOM 2359 CE2 PHE B 45 -8.409 9.398 0.259 1.00 2.38 C ATOM 2360 CZ PHE B 45 -7.206 9.749 -0.323 1.00 2.40 C ATOM 0 H PHE B 45 -7.469 10.067 6.396 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.605 11.520 4.209 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -6.756 9.027 4.368 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -8.499 9.138 4.222 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.385 10.240 2.464 1.00 1.81 H new ATOM 0 HD2 PHE B 45 -9.460 9.064 2.086 1.00 1.83 H new ATOM 0 HE1 PHE B 45 -5.178 10.323 0.020 1.00 2.37 H new ATOM 0 HE2 PHE B 45 -9.262 9.166 -0.361 1.00 2.38 H new ATOM 0 HZ PHE B 45 -7.116 9.788 -1.399 1.00 2.40 H new ATOM 2370 N LEU B 46 -9.907 11.383 4.384 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.109 12.071 3.960 1.00 0.57 C ATOM 2372 C LEU B 46 -11.534 13.114 4.975 1.00 0.65 C ATOM 2373 O LEU B 46 -12.494 13.841 4.755 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.239 11.094 3.689 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.045 10.223 2.454 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -13.283 9.397 2.215 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -11.720 11.072 1.229 1.00 0.54 C ATOM 0 H LEU B 46 -10.067 10.556 4.959 1.00 0.45 H new ATOM 0 HA LEU B 46 -10.877 12.584 3.027 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -12.358 10.447 4.558 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -13.167 11.655 3.579 1.00 0.67 H new ATOM 0 HG LEU B 46 -11.200 9.557 2.627 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -13.141 8.775 1.331 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -13.468 8.760 3.080 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.137 10.057 2.061 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -11.587 10.424 0.362 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -12.538 11.767 1.040 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -10.802 11.632 1.408 1.00 0.54 H new ATOM 2389 N GLY B 47 -10.814 13.198 6.081 1.00 0.74 N ATOM 2390 CA GLY B 47 -11.012 14.310 6.986 1.00 0.90 C ATOM 2391 C GLY B 47 -10.786 15.605 6.252 1.00 0.89 C ATOM 2392 O GLY B 47 -11.393 16.632 6.556 1.00 0.99 O ATOM 0 H GLY B 47 -10.103 12.525 6.367 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -12.022 14.284 7.395 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -10.325 14.233 7.829 1.00 0.90 H new ATOM 2396 N LYS B 48 -9.910 15.532 5.262 1.00 0.79 N ATOM 2397 CA LYS B 48 -9.683 16.636 4.348 1.00 0.82 C ATOM 2398 C LYS B 48 -10.843 16.840 3.374 1.00 0.78 C ATOM 2399 O LYS B 48 -11.134 17.971 2.984 1.00 0.87 O ATOM 2400 CB LYS B 48 -8.425 16.384 3.534 1.00 0.81 C ATOM 2401 CG LYS B 48 -7.125 16.538 4.311 1.00 1.08 C ATOM 2402 CD LYS B 48 -6.875 17.980 4.733 1.00 1.51 C ATOM 2403 CE LYS B 48 -6.709 18.898 3.531 1.00 2.27 C ATOM 2404 NZ LYS B 48 -6.368 20.287 3.937 1.00 3.17 N ATOM 0 H LYS B 48 -9.339 14.708 5.071 1.00 0.79 H new ATOM 0 HA LYS B 48 -9.584 17.532 4.961 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.470 15.375 3.123 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -8.411 17.072 2.689 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -7.155 15.902 5.196 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -6.294 16.191 3.697 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -7.706 18.329 5.345 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -5.980 18.028 5.353 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -5.926 18.507 2.881 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -7.631 18.906 2.950 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -6.263 20.881 3.089 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -7.127 20.670 4.536 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -5.475 20.284 4.470 1.00 3.17 H new ATOM 2418 N ARG B 49 -11.506 15.758 2.981 1.00 0.73 N ATOM 2419 CA ARG B 49 -12.484 15.834 1.903 1.00 0.81 C ATOM 2420 C ARG B 49 -13.520 14.715 2.006 1.00 0.74 C ATOM 2421 O ARG B 49 -13.424 13.701 1.319 1.00 1.00 O ATOM 2422 CB ARG B 49 -11.762 15.761 0.549 1.00 0.95 C ATOM 2423 CG ARG B 49 -12.460 16.507 -0.588 1.00 1.17 C ATOM 2424 CD ARG B 49 -13.869 15.994 -0.836 1.00 1.01 C ATOM 2425 NE ARG B 49 -14.458 16.556 -2.050 1.00 1.61 N ATOM 2426 CZ ARG B 49 -15.532 17.344 -2.070 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -16.095 17.748 -0.937 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -16.036 17.745 -3.232 1.00 2.50 N ATOM 0 H ARG B 49 -11.387 14.830 3.387 1.00 0.73 H new ATOM 0 HA ARG B 49 -13.013 16.783 1.988 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -10.756 16.165 0.667 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -11.654 14.714 0.266 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -12.499 17.570 -0.351 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -11.873 16.405 -1.501 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -13.849 14.907 -0.914 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -14.499 16.241 0.019 1.00 1.01 H new ATOM 0 HE ARG B 49 -14.017 16.330 -2.942 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -15.705 17.455 -0.041 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -16.917 18.351 -0.963 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -15.601 17.449 -4.106 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -16.858 18.348 -3.250 1.00 2.50 H new ATOM 2442 N THR B 50 -14.507 14.902 2.862 1.00 0.75 N ATOM 2443 CA THR B 50 -15.631 13.974 2.929 1.00 0.72 C ATOM 2444 C THR B 50 -16.846 14.525 2.198 1.00 0.82 C ATOM 2445 O THR B 50 -17.330 15.618 2.500 1.00 1.33 O ATOM 2446 CB THR B 50 -16.043 13.629 4.372 1.00 0.73 C ATOM 2447 OG1 THR B 50 -15.992 14.805 5.192 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.155 12.547 4.958 1.00 0.63 C ATOM 0 H THR B 50 -14.558 15.681 3.518 1.00 0.75 H new ATOM 0 HA THR B 50 -15.282 13.062 2.445 1.00 0.72 H new ATOM 0 HB THR B 50 -17.064 13.249 4.348 1.00 0.73 H new ATOM 0 HG1 THR B 50 -16.257 14.577 6.108 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.473 12.328 5.977 1.00 0.63 H new ATOM 0 HG22 THR B 50 -15.232 11.645 4.351 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.121 12.890 4.967 1.00 0.63 H new ATOM 2456 N ASP B 51 -17.321 13.764 1.229 1.00 0.57 N ATOM 2457 CA ASP B 51 -18.535 14.096 0.498 1.00 0.61 C ATOM 2458 C ASP B 51 -19.007 12.852 -0.224 1.00 0.58 C ATOM 2459 O ASP B 51 -18.180 12.067 -0.679 1.00 0.54 O ATOM 2460 CB ASP B 51 -18.281 15.219 -0.515 1.00 0.68 C ATOM 2461 CG ASP B 51 -19.563 15.785 -1.099 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -20.198 15.107 -1.932 1.00 2.01 O ATOM 2463 OD2 ASP B 51 -19.940 16.919 -0.732 1.00 1.77 O ATOM 0 H ASP B 51 -16.877 12.897 0.925 1.00 0.57 H new ATOM 0 HA ASP B 51 -19.293 14.446 1.198 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -17.723 16.020 -0.030 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -17.656 14.839 -1.323 1.00 0.68 H new ATOM 2468 N GLU B 52 -20.311 12.656 -0.317 1.00 0.67 N ATOM 2469 CA GLU B 52 -20.851 11.477 -0.996 1.00 0.71 C ATOM 2470 C GLU B 52 -20.331 11.390 -2.422 1.00 0.66 C ATOM 2471 O GLU B 52 -20.032 10.304 -2.922 1.00 0.63 O ATOM 2472 CB GLU B 52 -22.375 11.497 -0.993 1.00 0.87 C ATOM 2473 CG GLU B 52 -22.956 11.493 0.404 1.00 0.95 C ATOM 2474 CD GLU B 52 -24.447 11.245 0.423 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -24.856 10.079 0.247 1.00 1.82 O ATOM 2476 OE2 GLU B 52 -25.218 12.205 0.616 1.00 1.90 O ATOM 0 H GLU B 52 -21.015 13.288 0.063 1.00 0.67 H new ATOM 0 HA GLU B 52 -20.516 10.595 -0.449 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -22.724 12.382 -1.525 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -22.747 10.630 -1.539 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -22.458 10.725 0.996 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -22.746 12.450 0.881 1.00 0.95 H new ATOM 2483 N ALA B 53 -20.200 12.542 -3.058 1.00 0.71 N ATOM 2484 CA ALA B 53 -19.647 12.607 -4.402 1.00 0.76 C ATOM 2485 C ALA B 53 -18.173 12.221 -4.386 1.00 0.66 C ATOM 2486 O ALA B 53 -17.684 11.566 -5.300 1.00 0.68 O ATOM 2487 CB ALA B 53 -19.826 13.997 -4.990 1.00 0.91 C ATOM 0 H ALA B 53 -20.469 13.445 -2.666 1.00 0.71 H new ATOM 0 HA ALA B 53 -20.186 11.899 -5.031 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -19.406 14.024 -5.995 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -20.888 14.239 -5.034 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -19.313 14.726 -4.363 1.00 0.91 H new ATOM 2493 N ALA B 54 -17.480 12.608 -3.322 1.00 0.59 N ATOM 2494 CA ALA B 54 -16.066 12.304 -3.174 1.00 0.58 C ATOM 2495 C ALA B 54 -15.864 10.821 -2.916 1.00 0.48 C ATOM 2496 O ALA B 54 -14.900 10.237 -3.386 1.00 0.45 O ATOM 2497 CB ALA B 54 -15.457 13.126 -2.050 1.00 0.64 C ATOM 0 H ALA B 54 -17.879 13.136 -2.546 1.00 0.59 H new ATOM 0 HA ALA B 54 -15.561 12.565 -4.104 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -14.398 12.884 -1.955 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -15.568 14.187 -2.274 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -15.967 12.897 -1.114 1.00 0.64 H new ATOM 2503 N PHE B 55 -16.777 10.217 -2.161 1.00 0.46 N ATOM 2504 CA PHE B 55 -16.753 8.775 -1.948 1.00 0.42 C ATOM 2505 C PHE B 55 -17.032 8.047 -3.252 1.00 0.44 C ATOM 2506 O PHE B 55 -16.406 7.039 -3.551 1.00 0.45 O ATOM 2507 CB PHE B 55 -17.779 8.351 -0.898 1.00 0.43 C ATOM 2508 CG PHE B 55 -17.392 8.698 0.510 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -16.532 7.885 1.226 1.00 1.87 C ATOM 2510 CD2 PHE B 55 -17.896 9.832 1.122 1.00 1.97 C ATOM 2511 CE1 PHE B 55 -16.183 8.197 2.525 1.00 2.69 C ATOM 2512 CE2 PHE B 55 -17.551 10.150 2.419 1.00 2.77 C ATOM 2513 CZ PHE B 55 -16.694 9.332 3.122 1.00 2.95 C ATOM 0 H PHE B 55 -17.540 10.702 -1.688 1.00 0.46 H new ATOM 0 HA PHE B 55 -15.759 8.510 -1.586 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -18.735 8.822 -1.128 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -17.930 7.274 -0.967 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -16.129 6.996 0.764 1.00 1.87 H new ATOM 0 HD2 PHE B 55 -18.569 10.477 0.577 1.00 1.97 H new ATOM 0 HE1 PHE B 55 -15.511 7.554 3.073 1.00 2.69 H new ATOM 0 HE2 PHE B 55 -17.952 11.039 2.883 1.00 2.77 H new ATOM 0 HZ PHE B 55 -16.423 9.578 4.138 1.00 2.95 H new ATOM 2523 N GLN B 56 -17.985 8.564 -4.014 1.00 0.48 N ATOM 2524 CA GLN B 56 -18.297 8.042 -5.340 1.00 0.54 C ATOM 2525 C GLN B 56 -17.053 8.101 -6.220 1.00 0.53 C ATOM 2526 O GLN B 56 -16.620 7.089 -6.774 1.00 0.56 O ATOM 2527 CB GLN B 56 -19.434 8.877 -5.946 1.00 0.62 C ATOM 2528 CG GLN B 56 -20.021 8.345 -7.248 1.00 0.76 C ATOM 2529 CD GLN B 56 -19.166 8.641 -8.469 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -19.261 9.716 -9.060 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -18.361 7.676 -8.879 1.00 0.87 N ATOM 0 H GLN B 56 -18.564 9.356 -3.733 1.00 0.48 H new ATOM 0 HA GLN B 56 -18.617 7.002 -5.271 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -20.236 8.953 -5.211 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -19.065 9.888 -6.121 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -20.155 7.267 -7.162 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -21.010 8.779 -7.394 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -18.311 6.799 -8.361 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -17.790 7.809 -9.714 1.00 0.87 H new ATOM 2540 N LYS B 57 -16.493 9.295 -6.338 1.00 0.51 N ATOM 2541 CA LYS B 57 -15.289 9.516 -7.129 1.00 0.51 C ATOM 2542 C LYS B 57 -14.147 8.626 -6.653 1.00 0.47 C ATOM 2543 O LYS B 57 -13.529 7.931 -7.455 1.00 0.47 O ATOM 2544 CB LYS B 57 -14.879 10.989 -7.073 1.00 0.55 C ATOM 2545 CG LYS B 57 -15.064 11.725 -8.394 1.00 0.76 C ATOM 2546 CD LYS B 57 -16.509 11.687 -8.877 1.00 1.00 C ATOM 2547 CE LYS B 57 -17.421 12.568 -8.037 1.00 0.86 C ATOM 2548 NZ LYS B 57 -18.828 12.506 -8.512 1.00 1.60 N ATOM 0 H LYS B 57 -16.857 10.136 -5.891 1.00 0.51 H new ATOM 0 HA LYS B 57 -15.511 9.253 -8.163 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -15.464 11.491 -6.302 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -13.833 11.055 -6.773 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -14.749 12.762 -8.277 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -14.418 11.279 -9.150 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -16.551 12.011 -9.917 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -16.873 10.660 -8.849 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -17.374 12.253 -6.995 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -17.068 13.599 -8.075 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -19.462 12.855 -7.765 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -18.934 13.098 -9.361 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -19.073 11.522 -8.743 1.00 1.60 H new ATOM 2562 N LEU B 58 -13.883 8.641 -5.348 1.00 0.45 N ATOM 2563 CA LEU B 58 -12.843 7.811 -4.759 1.00 0.43 C ATOM 2564 C LEU B 58 -13.088 6.348 -5.084 1.00 0.42 C ATOM 2565 O LEU B 58 -12.168 5.625 -5.453 1.00 0.41 O ATOM 2566 CB LEU B 58 -12.801 7.999 -3.246 1.00 0.43 C ATOM 2567 CG LEU B 58 -11.660 7.272 -2.547 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -10.324 7.783 -3.058 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -11.765 7.445 -1.043 1.00 0.40 C ATOM 0 H LEU B 58 -14.381 9.225 -4.677 1.00 0.45 H new ATOM 0 HA LEU B 58 -11.885 8.116 -5.180 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -12.723 9.064 -3.028 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -13.746 7.655 -2.824 1.00 0.43 H new ATOM 0 HG LEU B 58 -11.730 6.208 -2.771 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -9.515 7.256 -2.551 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -10.254 7.608 -4.132 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -10.243 8.851 -2.858 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -10.942 6.920 -0.558 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -11.715 8.505 -0.794 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -12.713 7.035 -0.695 1.00 0.40 H new ATOM 2581 N MET B 59 -14.334 5.928 -4.942 1.00 0.45 N ATOM 2582 CA MET B 59 -14.747 4.588 -5.312 1.00 0.48 C ATOM 2583 C MET B 59 -14.299 4.275 -6.725 1.00 0.48 C ATOM 2584 O MET B 59 -13.527 3.359 -6.937 1.00 0.48 O ATOM 2585 CB MET B 59 -16.267 4.459 -5.188 1.00 0.54 C ATOM 2586 CG MET B 59 -16.848 3.229 -5.861 1.00 0.57 C ATOM 2587 SD MET B 59 -18.395 2.702 -5.115 1.00 1.64 S ATOM 2588 CE MET B 59 -17.802 2.014 -3.571 1.00 2.39 C ATOM 0 H MET B 59 -15.086 6.507 -4.567 1.00 0.45 H new ATOM 0 HA MET B 59 -14.280 3.871 -4.637 1.00 0.48 H new ATOM 0 HB2 MET B 59 -16.533 4.440 -4.131 1.00 0.54 H new ATOM 0 HB3 MET B 59 -16.731 5.347 -5.617 1.00 0.54 H new ATOM 0 HG2 MET B 59 -17.011 3.440 -6.918 1.00 0.57 H new ATOM 0 HG3 MET B 59 -16.126 2.414 -5.807 1.00 0.57 H new ATOM 0 HE1 MET B 59 -18.393 1.135 -3.313 1.00 2.39 H new ATOM 0 HE2 MET B 59 -16.755 1.729 -3.678 1.00 2.39 H new ATOM 0 HE3 MET B 59 -17.896 2.759 -2.781 1.00 2.39 H new ATOM 2598 N SER B 60 -14.749 5.081 -7.669 1.00 0.49 N ATOM 2599 CA SER B 60 -14.396 4.903 -9.078 1.00 0.52 C ATOM 2600 C SER B 60 -12.879 4.968 -9.298 1.00 0.51 C ATOM 2601 O SER B 60 -12.362 4.402 -10.252 1.00 0.55 O ATOM 2602 CB SER B 60 -15.095 5.967 -9.927 1.00 0.55 C ATOM 2603 OG SER B 60 -14.833 5.785 -11.310 1.00 1.34 O ATOM 0 H SER B 60 -15.365 5.874 -7.490 1.00 0.49 H new ATOM 0 HA SER B 60 -14.731 3.912 -9.383 1.00 0.52 H new ATOM 0 HB2 SER B 60 -16.170 5.926 -9.751 1.00 0.55 H new ATOM 0 HB3 SER B 60 -14.759 6.957 -9.619 1.00 0.55 H new ATOM 0 HG SER B 60 -15.295 6.479 -11.825 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.177 5.664 -8.418 1.00 0.48 N ATOM 2610 CA ASN B 61 -10.719 5.777 -8.502 1.00 0.50 C ATOM 2611 C ASN B 61 -10.058 4.447 -8.183 1.00 0.49 C ATOM 2612 O ASN B 61 -9.084 4.044 -8.824 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.191 6.833 -7.527 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.545 8.249 -7.934 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -10.711 8.545 -9.119 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -10.653 9.141 -6.960 1.00 0.57 N ATOM 0 H ASN B 61 -12.591 6.164 -7.631 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.476 6.074 -9.522 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -10.594 6.635 -6.534 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -9.107 6.742 -7.455 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -10.881 10.111 -7.179 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -10.508 8.858 -5.991 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.598 3.777 -7.184 1.00 0.44 N ATOM 2624 CA LEU B 62 -10.041 2.528 -6.694 1.00 0.43 C ATOM 2625 C LEU B 62 -10.637 1.369 -7.470 1.00 0.48 C ATOM 2626 O LEU B 62 -9.924 0.509 -7.985 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.375 2.390 -5.211 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.261 3.688 -4.413 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -10.620 3.459 -2.954 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -8.872 4.292 -4.560 1.00 0.35 C ATOM 0 H LEU B 62 -11.435 4.082 -6.688 1.00 0.44 H new ATOM 0 HA LEU B 62 -8.959 2.522 -6.827 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.391 2.007 -5.114 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -9.711 1.647 -4.769 1.00 0.38 H new ATOM 0 HG LEU B 62 -10.976 4.404 -4.818 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -10.532 4.397 -2.406 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -11.644 3.093 -2.884 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -9.942 2.722 -2.524 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -8.814 5.215 -3.984 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.128 3.586 -4.191 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -8.678 4.508 -5.611 1.00 0.35 H new ATOM 2642 N ASP B 63 -11.955 1.396 -7.544 1.00 0.48 N ATOM 2643 CA ASP B 63 -12.756 0.439 -8.282 1.00 0.53 C ATOM 2644 C ASP B 63 -12.484 0.581 -9.775 1.00 0.57 C ATOM 2645 O ASP B 63 -13.219 1.239 -10.517 1.00 0.62 O ATOM 2646 CB ASP B 63 -14.230 0.689 -7.934 1.00 0.56 C ATOM 2647 CG ASP B 63 -15.224 -0.005 -8.832 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -15.066 -1.209 -9.122 1.00 1.34 O ATOM 2649 OD2 ASP B 63 -16.202 0.660 -9.234 1.00 1.24 O ATOM 0 H ASP B 63 -12.515 2.109 -7.076 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.500 -0.585 -8.010 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.405 0.368 -6.907 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.419 1.762 -7.969 1.00 0.56 H new ATOM 2654 N SER B 64 -11.387 -0.021 -10.191 1.00 0.58 N ATOM 2655 CA SER B 64 -10.956 0.017 -11.576 1.00 0.64 C ATOM 2656 C SER B 64 -11.886 -0.835 -12.423 1.00 0.65 C ATOM 2657 O SER B 64 -12.025 -0.624 -13.629 1.00 0.75 O ATOM 2658 CB SER B 64 -9.512 -0.480 -11.698 1.00 0.72 C ATOM 2659 OG SER B 64 -9.008 -0.285 -13.012 1.00 1.38 O ATOM 0 H SER B 64 -10.768 -0.551 -9.578 1.00 0.58 H new ATOM 0 HA SER B 64 -10.994 1.046 -11.934 1.00 0.64 H new ATOM 0 HB2 SER B 64 -8.882 0.048 -10.982 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.467 -1.539 -11.442 1.00 0.72 H new ATOM 0 HG SER B 64 -8.085 -0.610 -13.060 1.00 1.38 H new ATOM 2665 N ASN B 65 -12.535 -1.787 -11.773 1.00 0.63 N ATOM 2666 CA ASN B 65 -13.486 -2.654 -12.435 1.00 0.72 C ATOM 2667 C ASN B 65 -14.784 -1.901 -12.709 1.00 0.69 C ATOM 2668 O ASN B 65 -15.567 -2.264 -13.590 1.00 0.77 O ATOM 2669 CB ASN B 65 -13.757 -3.856 -11.535 1.00 0.79 C ATOM 2670 CG ASN B 65 -14.844 -4.762 -12.058 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -16.077 -4.405 -11.763 1.00 1.65 O flip ATOM 2672 ND2 ASN B 65 -14.582 -5.756 -12.735 1.00 1.16 N flip ATOM 0 H ASN B 65 -12.416 -1.977 -10.778 1.00 0.63 H new ATOM 0 HA ASN B 65 -13.078 -2.989 -13.389 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -12.838 -4.431 -11.422 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -14.035 -3.502 -10.542 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -13.611 -5.993 -12.938 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -15.336 -6.342 -13.093 1.00 1.16 H new ATOM 2679 N ARG B 66 -14.958 -0.817 -11.962 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.138 0.024 -12.016 1.00 0.60 C ATOM 2681 C ARG B 66 -17.398 -0.761 -11.653 1.00 0.60 C ATOM 2682 O ARG B 66 -18.443 -0.631 -12.293 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.270 0.672 -13.379 1.00 0.67 C ATOM 2684 CG ARG B 66 -15.075 1.527 -13.778 1.00 0.70 C ATOM 2685 CD ARG B 66 -14.884 2.738 -12.867 1.00 0.70 C ATOM 2686 NE ARG B 66 -13.991 3.720 -13.481 1.00 0.78 N ATOM 2687 CZ ARG B 66 -12.673 3.752 -13.302 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -12.080 2.872 -12.507 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -11.949 4.677 -13.913 1.00 1.15 N ATOM 0 H ARG B 66 -14.264 -0.495 -11.288 1.00 0.60 H new ATOM 0 HA ARG B 66 -16.022 0.814 -11.274 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -16.412 -0.107 -14.128 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -17.167 1.292 -13.390 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -14.173 0.916 -13.756 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -15.204 1.868 -14.805 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -15.850 3.199 -12.661 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -14.474 2.416 -11.910 1.00 0.70 H new ATOM 0 HE ARG B 66 -14.406 4.428 -14.087 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -12.635 2.163 -12.027 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -11.069 2.904 -12.375 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -12.402 5.362 -14.518 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -10.938 4.705 -13.778 1.00 1.15 H new ATOM 2703 N ASP B 67 -17.284 -1.552 -10.598 1.00 0.58 N ATOM 2704 CA ASP B 67 -18.396 -2.351 -10.080 1.00 0.61 C ATOM 2705 C ASP B 67 -19.098 -1.583 -8.967 1.00 0.56 C ATOM 2706 O ASP B 67 -20.183 -1.955 -8.514 1.00 0.57 O ATOM 2707 CB ASP B 67 -17.871 -3.686 -9.537 1.00 0.69 C ATOM 2708 CG ASP B 67 -18.956 -4.651 -9.117 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -20.056 -4.624 -9.704 1.00 1.63 O ATOM 2710 OD2 ASP B 67 -18.697 -5.464 -8.208 1.00 1.72 O ATOM 0 H ASP B 67 -16.417 -1.662 -10.071 1.00 0.58 H new ATOM 0 HA ASP B 67 -19.103 -2.549 -10.886 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -17.254 -4.159 -10.301 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -17.224 -3.489 -8.682 1.00 0.69 H new ATOM 2715 N ASN B 68 -18.449 -0.502 -8.546 1.00 0.53 N ATOM 2716 CA ASN B 68 -18.931 0.360 -7.471 1.00 0.51 C ATOM 2717 C ASN B 68 -18.877 -0.348 -6.136 1.00 0.46 C ATOM 2718 O ASN B 68 -19.662 -0.067 -5.229 1.00 0.47 O ATOM 2719 CB ASN B 68 -20.325 0.899 -7.768 1.00 0.58 C ATOM 2720 CG ASN B 68 -20.264 2.199 -8.537 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -21.215 2.980 -8.533 1.00 1.08 O ATOM 2722 ND2 ASN B 68 -19.123 2.466 -9.158 1.00 0.66 N ATOM 0 H ASN B 68 -17.562 -0.196 -8.947 1.00 0.53 H new ATOM 0 HA ASN B 68 -18.262 1.219 -7.412 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -20.887 0.162 -8.342 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -20.864 1.053 -6.833 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -19.009 3.348 -9.658 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -18.360 1.790 -9.136 1.00 0.66 H new ATOM 2729 N GLU B 69 -17.936 -1.269 -6.037 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.581 -1.903 -4.785 1.00 0.42 C ATOM 2731 C GLU B 69 -16.097 -2.230 -4.838 1.00 0.40 C ATOM 2732 O GLU B 69 -15.658 -2.995 -5.694 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.395 -3.176 -4.539 1.00 0.46 C ATOM 2734 CG GLU B 69 -19.901 -2.978 -4.619 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.683 -4.260 -4.426 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -20.939 -4.638 -3.265 1.00 1.31 O ATOM 2737 OE2 GLU B 69 -21.057 -4.891 -5.435 1.00 1.29 O ATOM 0 H GLU B 69 -17.392 -1.600 -6.834 1.00 0.46 H new ATOM 0 HA GLU B 69 -17.803 -1.225 -3.961 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -18.100 -3.930 -5.269 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -18.143 -3.570 -3.554 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -20.207 -2.256 -3.862 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -20.153 -2.549 -5.589 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.341 -1.645 -3.929 1.00 0.37 N ATOM 2745 CA VAL B 70 -13.875 -1.736 -3.958 1.00 0.36 C ATOM 2746 C VAL B 70 -13.384 -3.076 -3.411 1.00 0.35 C ATOM 2747 O VAL B 70 -13.752 -3.465 -2.310 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.241 -0.594 -3.133 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -11.761 -0.841 -2.901 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.440 0.741 -3.825 1.00 0.36 C ATOM 0 H VAL B 70 -15.711 -1.096 -3.153 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.570 -1.649 -5.001 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.742 -0.569 -2.165 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.342 -0.021 -2.318 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.629 -1.777 -2.358 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.248 -0.903 -3.861 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -12.986 1.532 -3.228 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -12.971 0.715 -4.808 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.506 0.937 -3.937 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.555 -3.775 -4.182 1.00 0.37 N ATOM 2761 CA ASP B 71 -12.013 -5.066 -3.748 1.00 0.39 C ATOM 2762 C ASP B 71 -10.789 -4.881 -2.854 1.00 0.37 C ATOM 2763 O ASP B 71 -10.234 -3.784 -2.783 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.662 -5.959 -4.954 1.00 0.45 C ATOM 2765 CG ASP B 71 -10.165 -6.114 -5.219 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -9.585 -5.267 -5.912 1.00 1.35 O ATOM 2767 OD2 ASP B 71 -9.555 -7.104 -4.743 1.00 1.42 O ATOM 0 H ASP B 71 -12.243 -3.474 -5.106 1.00 0.37 H new ATOM 0 HA ASP B 71 -12.790 -5.563 -3.167 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -12.093 -6.947 -4.795 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -12.134 -5.545 -5.845 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.396 -5.954 -2.151 1.00 0.41 N ATOM 2773 CA PHE B 72 -9.199 -5.945 -1.299 1.00 0.44 C ATOM 2774 C PHE B 72 -8.050 -5.231 -1.991 1.00 0.40 C ATOM 2775 O PHE B 72 -7.422 -4.330 -1.435 1.00 0.42 O ATOM 2776 CB PHE B 72 -8.726 -7.370 -1.002 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.466 -8.123 0.070 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -10.599 -8.860 -0.226 1.00 1.69 C ATOM 2779 CD2 PHE B 72 -8.989 -8.130 1.372 1.00 1.70 C ATOM 2780 CE1 PHE B 72 -11.244 -9.587 0.756 1.00 2.18 C ATOM 2781 CE2 PHE B 72 -9.635 -8.849 2.358 1.00 2.17 C ATOM 2782 CZ PHE B 72 -10.764 -9.580 2.048 1.00 2.15 C ATOM 0 H PHE B 72 -10.894 -6.844 -2.157 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.474 -5.433 -0.377 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -8.786 -7.947 -1.925 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -7.674 -7.327 -0.721 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -10.983 -8.867 -1.235 1.00 1.69 H new ATOM 0 HD2 PHE B 72 -8.101 -7.566 1.618 1.00 1.70 H new ATOM 0 HE1 PHE B 72 -12.125 -10.161 0.511 1.00 2.18 H new ATOM 0 HE2 PHE B 72 -9.258 -8.839 3.370 1.00 2.17 H new ATOM 0 HZ PHE B 72 -11.270 -10.145 2.816 1.00 2.15 H new ATOM 2792 N GLN B 73 -7.799 -5.646 -3.221 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.679 -5.152 -3.992 1.00 0.37 C ATOM 2794 C GLN B 73 -6.861 -3.686 -4.379 1.00 0.36 C ATOM 2795 O GLN B 73 -5.940 -2.893 -4.229 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.483 -6.027 -5.230 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.414 -5.516 -6.167 1.00 0.50 C ATOM 2798 CD GLN B 73 -5.988 -4.960 -7.455 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -6.495 -3.740 -7.391 1.00 0.62 O flip ATOM 2800 NE2 GLN B 73 -6.037 -5.647 -8.478 1.00 0.41 N flip ATOM 0 H GLN B 73 -8.369 -6.336 -3.711 1.00 0.38 H new ATOM 0 HA GLN B 73 -5.784 -5.206 -3.372 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.225 -7.038 -4.914 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.427 -6.094 -5.771 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.837 -4.739 -5.665 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -4.723 -6.326 -6.401 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -5.633 -6.584 -8.483 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.482 -5.279 -9.319 1.00 0.41 H new ATOM 2809 N GLU B 74 -8.034 -3.328 -4.892 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.331 -1.937 -5.233 1.00 0.39 C ATOM 2811 C GLU B 74 -8.186 -1.039 -4.007 1.00 0.38 C ATOM 2812 O GLU B 74 -7.791 0.122 -4.111 1.00 0.41 O ATOM 2813 CB GLU B 74 -9.739 -1.827 -5.820 1.00 0.44 C ATOM 2814 CG GLU B 74 -9.899 -2.578 -7.131 1.00 0.59 C ATOM 2815 CD GLU B 74 -11.328 -2.599 -7.633 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -12.248 -2.730 -6.799 1.00 2.18 O ATOM 2817 OE2 GLU B 74 -11.527 -2.492 -8.868 1.00 2.04 O ATOM 0 H GLU B 74 -8.795 -3.980 -5.081 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.615 -1.602 -5.984 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.458 -2.212 -5.097 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -9.979 -0.776 -5.979 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -9.262 -2.118 -7.886 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -9.551 -3.603 -7.001 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.483 -1.599 -2.844 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.331 -0.899 -1.582 1.00 0.36 C ATOM 2826 C TYR B 75 -6.849 -0.813 -1.205 1.00 0.34 C ATOM 2827 O TYR B 75 -6.386 0.186 -0.657 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.126 -1.625 -0.494 1.00 0.43 C ATOM 2829 CG TYR B 75 -8.925 -1.057 0.895 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -9.429 0.191 1.235 1.00 1.72 C ATOM 2831 CD2 TYR B 75 -8.234 -1.772 1.866 1.00 1.50 C ATOM 2832 CE1 TYR B 75 -9.248 0.712 2.501 1.00 2.09 C ATOM 2833 CE2 TYR B 75 -8.049 -1.258 3.136 1.00 1.86 C ATOM 2834 CZ TYR B 75 -8.557 -0.015 3.448 1.00 1.84 C ATOM 2835 OH TYR B 75 -8.380 0.504 4.711 1.00 2.33 O ATOM 0 H TYR B 75 -8.836 -2.551 -2.751 1.00 0.34 H new ATOM 0 HA TYR B 75 -8.718 0.115 -1.680 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.186 -1.583 -0.743 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -8.841 -2.677 -0.490 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -9.971 0.764 0.497 1.00 1.72 H new ATOM 0 HD2 TYR B 75 -7.835 -2.746 1.624 1.00 1.50 H new ATOM 0 HE1 TYR B 75 -9.646 1.685 2.749 1.00 2.09 H new ATOM 0 HE2 TYR B 75 -7.510 -1.827 3.879 1.00 1.86 H new ATOM 0 HH TYR B 75 -8.645 -0.163 5.379 1.00 2.33 H new ATOM 2845 N SER B 76 -6.111 -1.870 -1.519 1.00 0.35 N ATOM 2846 CA SER B 76 -4.672 -1.906 -1.289 1.00 0.36 C ATOM 2847 C SER B 76 -3.956 -0.898 -2.192 1.00 0.36 C ATOM 2848 O SER B 76 -2.965 -0.279 -1.794 1.00 0.41 O ATOM 2849 CB SER B 76 -4.143 -3.321 -1.540 1.00 0.41 C ATOM 2850 OG SER B 76 -4.741 -4.252 -0.654 1.00 1.21 O ATOM 0 H SER B 76 -6.489 -2.720 -1.937 1.00 0.35 H new ATOM 0 HA SER B 76 -4.474 -1.632 -0.253 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.347 -3.612 -2.571 1.00 0.41 H new ATOM 0 HB3 SER B 76 -3.061 -3.336 -1.413 1.00 0.41 H new ATOM 0 HG SER B 76 -5.691 -4.349 -0.873 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.481 -0.725 -3.401 1.00 0.35 N ATOM 2857 CA VAL B 77 -3.953 0.247 -4.350 1.00 0.36 C ATOM 2858 C VAL B 77 -4.327 1.643 -3.890 1.00 0.33 C ATOM 2859 O VAL B 77 -3.596 2.613 -4.096 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.500 0.008 -5.777 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -4.048 1.110 -6.725 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -4.060 -1.350 -6.296 1.00 0.43 C ATOM 0 H VAL B 77 -5.281 -1.253 -3.749 1.00 0.35 H new ATOM 0 HA VAL B 77 -2.869 0.136 -4.386 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.589 0.026 -5.728 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.446 0.919 -7.722 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.415 2.072 -6.366 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -2.959 1.130 -6.767 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.454 -1.501 -7.301 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -2.971 -1.394 -6.323 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.438 -2.131 -5.637 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.474 1.724 -3.248 1.00 0.32 N ATOM 2873 CA PHE B 78 -5.944 2.960 -2.662 1.00 0.29 C ATOM 2874 C PHE B 78 -4.940 3.492 -1.651 1.00 0.27 C ATOM 2875 O PHE B 78 -4.463 4.618 -1.760 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.287 2.724 -1.976 1.00 0.27 C ATOM 2877 CG PHE B 78 -7.752 3.890 -1.154 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.614 5.188 -1.620 1.00 1.18 C ATOM 2879 CD2 PHE B 78 -8.309 3.688 0.095 1.00 1.23 C ATOM 2880 CE1 PHE B 78 -8.024 6.257 -0.859 1.00 1.19 C ATOM 2881 CE2 PHE B 78 -8.719 4.755 0.863 1.00 1.24 C ATOM 2882 CZ PHE B 78 -8.576 6.042 0.384 1.00 0.37 C ATOM 0 H PHE B 78 -6.106 0.934 -3.118 1.00 0.32 H new ATOM 0 HA PHE B 78 -6.062 3.698 -3.456 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -8.039 2.501 -2.733 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.209 1.846 -1.335 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -7.179 5.362 -2.593 1.00 1.18 H new ATOM 0 HD2 PHE B 78 -8.424 2.683 0.472 1.00 1.23 H new ATOM 0 HE1 PHE B 78 -7.913 7.263 -1.235 1.00 1.19 H new ATOM 0 HE2 PHE B 78 -9.152 4.585 1.838 1.00 1.24 H new ATOM 0 HZ PHE B 78 -8.897 6.880 0.984 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.621 2.672 -0.675 1.00 0.27 N ATOM 2893 CA LEU B 79 -3.750 3.097 0.407 1.00 0.27 C ATOM 2894 C LEU B 79 -2.336 3.365 -0.084 1.00 0.31 C ATOM 2895 O LEU B 79 -1.649 4.250 0.427 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.752 2.051 1.503 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.142 1.714 2.026 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -5.049 0.704 3.135 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -5.854 2.962 2.511 1.00 0.30 C ATOM 0 H LEU B 79 -4.949 1.709 -0.605 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.133 4.036 0.808 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.285 1.141 1.125 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.138 2.404 2.331 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.721 1.287 1.207 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -6.049 0.472 3.500 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.579 -0.205 2.760 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.451 1.112 3.950 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -6.845 2.696 2.880 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.278 3.420 3.315 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -5.952 3.669 1.687 1.00 0.30 H new ATOM 2911 N SER B 80 -1.904 2.617 -1.085 1.00 0.36 N ATOM 2912 CA SER B 80 -0.595 2.846 -1.665 1.00 0.47 C ATOM 2913 C SER B 80 -0.568 4.143 -2.446 1.00 0.37 C ATOM 2914 O SER B 80 0.374 4.908 -2.319 1.00 0.38 O ATOM 2915 CB SER B 80 -0.172 1.689 -2.553 1.00 0.66 C ATOM 2916 OG SER B 80 -1.269 1.176 -3.283 1.00 0.84 O ATOM 0 H SER B 80 -2.434 1.855 -1.508 1.00 0.36 H new ATOM 0 HA SER B 80 0.117 2.920 -0.843 1.00 0.47 H new ATOM 0 HB2 SER B 80 0.604 2.022 -3.243 1.00 0.66 H new ATOM 0 HB3 SER B 80 0.263 0.898 -1.942 1.00 0.66 H new ATOM 0 HG SER B 80 -1.690 0.451 -2.775 1.00 0.84 H new ATOM 2922 N SER B 81 -1.602 4.402 -3.244 1.00 0.33 N ATOM 2923 CA SER B 81 -1.666 5.650 -3.986 1.00 0.30 C ATOM 2924 C SER B 81 -1.673 6.831 -3.024 1.00 0.24 C ATOM 2925 O SER B 81 -1.089 7.868 -3.316 1.00 0.26 O ATOM 2926 CB SER B 81 -2.872 5.686 -4.937 1.00 0.37 C ATOM 2927 OG SER B 81 -4.069 5.315 -4.283 1.00 1.22 O ATOM 0 H SER B 81 -2.392 3.774 -3.389 1.00 0.33 H new ATOM 0 HA SER B 81 -0.776 5.722 -4.611 1.00 0.30 H new ATOM 0 HB2 SER B 81 -2.979 6.689 -5.350 1.00 0.37 H new ATOM 0 HB3 SER B 81 -2.693 5.014 -5.776 1.00 0.37 H new ATOM 0 HG SER B 81 -3.930 5.330 -3.313 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.297 6.657 -1.860 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.211 7.657 -0.802 1.00 0.23 C ATOM 2935 C ILE B 82 -0.753 7.927 -0.453 1.00 0.27 C ATOM 2936 O ILE B 82 -0.271 9.054 -0.564 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.915 7.213 0.496 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.404 6.949 0.261 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.713 8.274 1.572 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.145 6.516 1.510 1.00 0.23 C ATOM 0 H ILE B 82 -2.862 5.840 -1.629 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.705 8.548 -1.189 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.471 6.275 0.831 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.868 7.854 -0.132 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.512 6.178 -0.502 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.210 7.961 2.490 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.647 8.401 1.762 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -3.137 9.220 1.234 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.195 6.346 1.270 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.707 5.594 1.892 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.068 7.296 2.268 1.00 0.23 H new ATOM 2952 N ALA B 83 -0.061 6.870 -0.044 1.00 0.30 N ATOM 2953 CA ALA B 83 1.318 6.972 0.403 1.00 0.36 C ATOM 2954 C ALA B 83 2.230 7.490 -0.712 1.00 0.37 C ATOM 2955 O ALA B 83 3.142 8.269 -0.456 1.00 0.42 O ATOM 2956 CB ALA B 83 1.791 5.622 0.935 1.00 0.40 C ATOM 0 H ALA B 83 -0.440 5.924 -0.014 1.00 0.30 H new ATOM 0 HA ALA B 83 1.369 7.699 1.214 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.825 5.705 1.269 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.162 5.321 1.773 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.723 4.875 0.144 1.00 0.40 H new ATOM 2962 N MET B 84 1.956 7.083 -1.952 1.00 0.37 N ATOM 2963 CA MET B 84 2.727 7.549 -3.105 1.00 0.43 C ATOM 2964 C MET B 84 2.531 9.043 -3.302 1.00 0.34 C ATOM 2965 O MET B 84 3.492 9.799 -3.424 1.00 0.37 O ATOM 2966 CB MET B 84 2.322 6.817 -4.391 1.00 0.64 C ATOM 2967 CG MET B 84 2.495 5.311 -4.332 1.00 0.44 C ATOM 2968 SD MET B 84 2.382 4.525 -5.955 1.00 1.00 S ATOM 2969 CE MET B 84 0.680 4.857 -6.402 1.00 1.26 C ATOM 0 H MET B 84 1.206 6.432 -2.184 1.00 0.37 H new ATOM 0 HA MET B 84 3.776 7.335 -2.900 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.279 7.043 -4.611 1.00 0.64 H new ATOM 0 HB3 MET B 84 2.914 7.207 -5.219 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.463 5.079 -3.888 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.734 4.889 -3.676 1.00 0.44 H new ATOM 0 HE1 MET B 84 0.500 4.523 -7.424 1.00 1.26 H new ATOM 0 HE2 MET B 84 0.015 4.323 -5.724 1.00 1.26 H new ATOM 0 HE3 MET B 84 0.487 5.927 -6.331 1.00 1.26 H new ATOM 2979 N MET B 85 1.278 9.466 -3.320 1.00 0.33 N ATOM 2980 CA MET B 85 0.957 10.871 -3.509 1.00 0.35 C ATOM 2981 C MET B 85 1.512 11.697 -2.358 1.00 0.35 C ATOM 2982 O MET B 85 1.996 12.809 -2.554 1.00 0.42 O ATOM 2983 CB MET B 85 -0.554 11.063 -3.626 1.00 0.39 C ATOM 2984 CG MET B 85 -1.162 10.313 -4.800 1.00 1.36 C ATOM 2985 SD MET B 85 -0.508 10.847 -6.395 1.00 2.66 S ATOM 2986 CE MET B 85 -1.029 12.560 -6.416 1.00 3.35 C ATOM 0 H MET B 85 0.467 8.858 -3.206 1.00 0.33 H new ATOM 0 HA MET B 85 1.419 11.212 -4.436 1.00 0.35 H new ATOM 0 HB2 MET B 85 -1.029 10.728 -2.704 1.00 0.39 H new ATOM 0 HB3 MET B 85 -0.772 12.126 -3.730 1.00 0.39 H new ATOM 0 HG2 MET B 85 -0.977 9.246 -4.677 1.00 1.36 H new ATOM 0 HG3 MET B 85 -2.243 10.452 -4.792 1.00 1.36 H new ATOM 0 HE1 MET B 85 -1.009 12.934 -7.440 1.00 3.35 H new ATOM 0 HE2 MET B 85 -2.042 12.637 -6.021 1.00 3.35 H new ATOM 0 HE3 MET B 85 -0.353 13.153 -5.800 1.00 3.35 H new ATOM 2996 N SER B 86 1.452 11.135 -1.159 1.00 0.33 N ATOM 2997 CA SER B 86 1.987 11.792 0.019 1.00 0.39 C ATOM 2998 C SER B 86 3.514 11.863 -0.030 1.00 0.43 C ATOM 2999 O SER B 86 4.102 12.836 0.433 1.00 0.57 O ATOM 3000 CB SER B 86 1.535 11.057 1.284 1.00 0.43 C ATOM 3001 OG SER B 86 1.971 11.729 2.454 1.00 1.25 O ATOM 0 H SER B 86 1.036 10.221 -0.979 1.00 0.33 H new ATOM 0 HA SER B 86 1.602 12.812 0.039 1.00 0.39 H new ATOM 0 HB2 SER B 86 0.448 10.977 1.292 1.00 0.43 H new ATOM 0 HB3 SER B 86 1.929 10.041 1.277 1.00 0.43 H new ATOM 0 HG SER B 86 1.667 11.238 3.246 1.00 1.25 H new ATOM 3007 N ASN B 87 4.158 10.846 -0.597 1.00 0.40 N ATOM 3008 CA ASN B 87 5.617 10.793 -0.596 1.00 0.51 C ATOM 3009 C ASN B 87 6.206 11.684 -1.689 1.00 0.44 C ATOM 3010 O ASN B 87 7.277 12.263 -1.522 1.00 0.53 O ATOM 3011 CB ASN B 87 6.128 9.332 -0.678 1.00 0.69 C ATOM 3012 CG ASN B 87 5.953 8.606 -2.013 1.00 1.43 C ATOM 3013 OD1 ASN B 87 6.172 9.276 -3.127 1.00 2.36 O flip ATOM 3014 ND2 ASN B 87 5.666 7.417 -2.034 1.00 1.49 N flip ATOM 0 H ASN B 87 3.701 10.058 -1.057 1.00 0.40 H new ATOM 0 HA ASN B 87 5.969 11.193 0.355 1.00 0.51 H new ATOM 0 HB2 ASN B 87 7.189 9.330 -0.429 1.00 0.69 H new ATOM 0 HB3 ASN B 87 5.619 8.752 0.092 1.00 0.69 H new ATOM 0 HD21 ASN B 87 5.500 6.917 -1.161 1.00 1.49 H new ATOM 0 HD22 ASN B 87 5.592 6.926 -2.925 1.00 1.49 H new ATOM 3021 N GLU B 88 5.509 11.786 -2.812 1.00 0.37 N ATOM 3022 CA GLU B 88 5.900 12.710 -3.868 1.00 0.42 C ATOM 3023 C GLU B 88 5.632 14.135 -3.415 1.00 0.51 C ATOM 3024 O GLU B 88 6.342 15.071 -3.776 1.00 0.66 O ATOM 3025 CB GLU B 88 5.144 12.391 -5.156 1.00 0.48 C ATOM 3026 CG GLU B 88 5.437 10.995 -5.681 1.00 0.51 C ATOM 3027 CD GLU B 88 4.653 10.648 -6.926 1.00 0.91 C ATOM 3028 OE1 GLU B 88 4.029 11.549 -7.518 1.00 1.49 O ATOM 3029 OE2 GLU B 88 4.660 9.461 -7.314 1.00 1.74 O ATOM 0 H GLU B 88 4.671 11.241 -3.015 1.00 0.37 H new ATOM 0 HA GLU B 88 6.965 12.603 -4.072 1.00 0.42 H new ATOM 0 HB2 GLU B 88 4.073 12.490 -4.977 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.409 13.124 -5.918 1.00 0.48 H new ATOM 0 HG2 GLU B 88 6.502 10.911 -5.896 1.00 0.51 H new ATOM 0 HG3 GLU B 88 5.210 10.267 -4.902 1.00 0.51 H new ATOM 3036 N PHE B 89 4.607 14.275 -2.592 1.00 0.50 N ATOM 3037 CA PHE B 89 4.303 15.541 -1.945 1.00 0.63 C ATOM 3038 C PHE B 89 5.319 15.827 -0.846 1.00 0.66 C ATOM 3039 O PHE B 89 5.525 16.977 -0.455 1.00 0.79 O ATOM 3040 CB PHE B 89 2.884 15.499 -1.367 1.00 0.73 C ATOM 3041 CG PHE B 89 2.449 16.769 -0.688 1.00 1.18 C ATOM 3042 CD1 PHE B 89 1.989 17.845 -1.430 1.00 1.70 C ATOM 3043 CD2 PHE B 89 2.498 16.885 0.693 1.00 2.16 C ATOM 3044 CE1 PHE B 89 1.588 19.012 -0.809 1.00 2.37 C ATOM 3045 CE2 PHE B 89 2.099 18.049 1.319 1.00 2.79 C ATOM 3046 CZ PHE B 89 1.643 19.114 0.567 1.00 2.70 C ATOM 0 H PHE B 89 3.965 13.519 -2.354 1.00 0.50 H new ATOM 0 HA PHE B 89 4.359 16.342 -2.682 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.184 15.274 -2.172 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.821 14.679 -0.651 1.00 0.73 H new ATOM 0 HD1 PHE B 89 1.943 17.770 -2.506 1.00 1.70 H new ATOM 0 HD2 PHE B 89 2.853 16.055 1.286 1.00 2.16 H new ATOM 0 HE1 PHE B 89 1.232 19.844 -1.399 1.00 2.37 H new ATOM 0 HE2 PHE B 89 2.143 18.127 2.395 1.00 2.79 H new ATOM 0 HZ PHE B 89 1.330 20.025 1.055 1.00 2.70 H new ATOM 3056 N PHE B 90 5.958 14.775 -0.350 1.00 0.60 N ATOM 3057 CA PHE B 90 7.019 14.933 0.630 1.00 0.68 C ATOM 3058 C PHE B 90 8.206 15.602 -0.046 1.00 0.68 C ATOM 3059 O PHE B 90 8.922 16.399 0.561 1.00 0.79 O ATOM 3060 CB PHE B 90 7.415 13.577 1.225 1.00 0.70 C ATOM 3061 CG PHE B 90 8.478 13.658 2.284 1.00 0.85 C ATOM 3062 CD1 PHE B 90 8.171 14.112 3.556 1.00 1.46 C ATOM 3063 CD2 PHE B 90 9.781 13.278 2.008 1.00 1.53 C ATOM 3064 CE1 PHE B 90 9.144 14.187 4.533 1.00 1.59 C ATOM 3065 CE2 PHE B 90 10.760 13.351 2.982 1.00 1.64 C ATOM 3066 CZ PHE B 90 10.440 13.806 4.246 1.00 1.21 C ATOM 0 H PHE B 90 5.760 13.809 -0.610 1.00 0.60 H new ATOM 0 HA PHE B 90 6.671 15.557 1.453 1.00 0.68 H new ATOM 0 HB2 PHE B 90 6.529 13.106 1.650 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.766 12.929 0.422 1.00 0.70 H new ATOM 0 HD1 PHE B 90 7.159 14.411 3.786 1.00 1.46 H new ATOM 0 HD2 PHE B 90 10.035 12.921 1.021 1.00 1.53 H new ATOM 0 HE1 PHE B 90 8.892 14.543 5.521 1.00 1.59 H new ATOM 0 HE2 PHE B 90 11.773 13.053 2.755 1.00 1.64 H new ATOM 0 HZ PHE B 90 11.202 13.864 5.009 1.00 1.21 H new ATOM 3076 N GLU B 91 8.387 15.276 -1.319 1.00 0.61 N ATOM 3077 CA GLU B 91 9.390 15.929 -2.143 1.00 0.72 C ATOM 3078 C GLU B 91 8.946 17.338 -2.499 1.00 0.77 C ATOM 3079 O GLU B 91 9.720 18.293 -2.443 1.00 0.95 O ATOM 3080 CB GLU B 91 9.604 15.163 -3.447 1.00 0.82 C ATOM 3081 CG GLU B 91 9.843 13.679 -3.279 1.00 0.92 C ATOM 3082 CD GLU B 91 9.841 12.956 -4.609 1.00 1.57 C ATOM 3083 OE1 GLU B 91 10.859 13.020 -5.328 1.00 2.22 O ATOM 3084 OE2 GLU B 91 8.828 12.298 -4.932 1.00 2.25 O ATOM 0 H GLU B 91 7.848 14.559 -1.804 1.00 0.61 H new ATOM 0 HA GLU B 91 10.317 15.955 -1.570 1.00 0.72 H new ATOM 0 HB2 GLU B 91 8.731 15.306 -4.084 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.455 15.597 -3.971 1.00 0.82 H new ATOM 0 HG2 GLU B 91 10.798 13.519 -2.779 1.00 0.92 H new ATOM 0 HG3 GLU B 91 9.072 13.257 -2.635 1.00 0.92 H new ATOM 3091 N GLY B 92 7.680 17.445 -2.867 1.00 0.71 N ATOM 3092 CA GLY B 92 7.161 18.664 -3.441 1.00 0.82 C ATOM 3093 C GLY B 92 7.010 18.493 -4.932 1.00 0.81 C ATOM 3094 O GLY B 92 6.206 19.166 -5.582 1.00 0.91 O ATOM 0 H GLY B 92 6.994 16.696 -2.776 1.00 0.71 H new ATOM 0 HA2 GLY B 92 6.198 18.908 -2.993 1.00 0.82 H new ATOM 0 HA3 GLY B 92 7.833 19.495 -3.226 1.00 0.82 H new ATOM 3098 N PHE B 93 7.785 17.553 -5.452 1.00 0.76 N ATOM 3099 CA PHE B 93 7.778 17.189 -6.854 1.00 0.78 C ATOM 3100 C PHE B 93 8.542 15.878 -7.007 1.00 0.69 C ATOM 3101 O PHE B 93 9.689 15.773 -6.575 1.00 0.82 O ATOM 3102 CB PHE B 93 8.401 18.298 -7.726 1.00 1.00 C ATOM 3103 CG PHE B 93 9.824 18.649 -7.374 1.00 1.67 C ATOM 3104 CD1 PHE B 93 10.103 19.501 -6.317 1.00 2.41 C ATOM 3105 CD2 PHE B 93 10.881 18.126 -8.103 1.00 2.58 C ATOM 3106 CE1 PHE B 93 11.406 19.823 -5.993 1.00 3.46 C ATOM 3107 CE2 PHE B 93 12.186 18.445 -7.783 1.00 3.59 C ATOM 3108 CZ PHE B 93 12.450 19.294 -6.727 1.00 3.90 C ATOM 0 H PHE B 93 8.449 17.013 -4.897 1.00 0.76 H new ATOM 0 HA PHE B 93 6.750 17.064 -7.195 1.00 0.78 H new ATOM 0 HB2 PHE B 93 8.366 17.984 -8.769 1.00 1.00 H new ATOM 0 HB3 PHE B 93 7.788 19.195 -7.642 1.00 1.00 H new ATOM 0 HD1 PHE B 93 9.291 19.918 -5.740 1.00 2.41 H new ATOM 0 HD2 PHE B 93 10.682 17.461 -8.931 1.00 2.58 H new ATOM 0 HE1 PHE B 93 11.609 20.488 -5.166 1.00 3.46 H new ATOM 0 HE2 PHE B 93 13.000 18.030 -8.359 1.00 3.59 H new ATOM 0 HZ PHE B 93 13.470 19.544 -6.475 1.00 3.90 H new ATOM 3118 N PRO B 94 7.902 14.847 -7.568 1.00 0.64 N ATOM 3119 CA PRO B 94 8.517 13.526 -7.711 1.00 0.61 C ATOM 3120 C PRO B 94 9.767 13.562 -8.589 1.00 0.71 C ATOM 3121 O PRO B 94 9.682 13.750 -9.803 1.00 0.90 O ATOM 3122 CB PRO B 94 7.412 12.678 -8.349 1.00 0.65 C ATOM 3123 CG PRO B 94 6.471 13.657 -8.965 1.00 0.84 C ATOM 3124 CD PRO B 94 6.530 14.882 -8.100 1.00 0.83 C ATOM 0 HA PRO B 94 8.862 13.128 -6.757 1.00 0.61 H new ATOM 0 HB2 PRO B 94 7.820 12.000 -9.098 1.00 0.65 H new ATOM 0 HB3 PRO B 94 6.908 12.063 -7.603 1.00 0.65 H new ATOM 0 HG2 PRO B 94 6.762 13.888 -9.990 1.00 0.84 H new ATOM 0 HG3 PRO B 94 5.459 13.255 -9.004 1.00 0.84 H new ATOM 0 HD2 PRO B 94 6.343 15.790 -8.673 1.00 0.83 H new ATOM 0 HD3 PRO B 94 5.787 14.849 -7.303 1.00 0.83 H new ATOM 3132 N ASP B 95 10.928 13.391 -7.962 1.00 0.71 N ATOM 3133 CA ASP B 95 12.205 13.468 -8.671 1.00 0.87 C ATOM 3134 C ASP B 95 13.102 12.277 -8.330 1.00 0.84 C ATOM 3135 O ASP B 95 14.209 12.136 -8.849 1.00 0.96 O ATOM 3136 CB ASP B 95 12.910 14.789 -8.338 1.00 1.12 C ATOM 3137 CG ASP B 95 14.204 14.980 -9.107 1.00 1.70 C ATOM 3138 OD1 ASP B 95 14.151 15.118 -10.347 1.00 2.16 O ATOM 3139 OD2 ASP B 95 15.282 15.006 -8.471 1.00 2.40 O ATOM 0 H ASP B 95 11.012 13.198 -6.964 1.00 0.71 H new ATOM 0 HA ASP B 95 12.005 13.433 -9.742 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.238 15.619 -8.557 1.00 1.12 H new ATOM 0 HB3 ASP B 95 13.121 14.823 -7.269 1.00 1.12 H new ATOM 3144 N LYS B 96 12.599 11.398 -7.482 1.00 0.81 N ATOM 3145 CA LYS B 96 13.312 10.176 -7.123 1.00 0.86 C ATOM 3146 C LYS B 96 12.910 9.074 -8.076 1.00 0.83 C ATOM 3147 O LYS B 96 13.328 7.928 -7.959 1.00 0.94 O ATOM 3148 CB LYS B 96 12.984 9.758 -5.686 1.00 0.97 C ATOM 3149 CG LYS B 96 11.563 10.071 -5.270 1.00 0.93 C ATOM 3150 CD LYS B 96 11.252 9.524 -3.884 1.00 0.65 C ATOM 3151 CE LYS B 96 9.946 10.071 -3.354 1.00 0.84 C ATOM 3152 NZ LYS B 96 8.819 9.716 -4.243 1.00 1.85 N ATOM 0 H LYS B 96 11.694 11.505 -7.024 1.00 0.81 H new ATOM 0 HA LYS B 96 14.384 10.358 -7.191 1.00 0.86 H new ATOM 0 HB2 LYS B 96 13.156 8.687 -5.580 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.671 10.260 -5.005 1.00 0.97 H new ATOM 0 HG2 LYS B 96 11.410 11.150 -5.279 1.00 0.93 H new ATOM 0 HG3 LYS B 96 10.869 9.645 -5.994 1.00 0.93 H new ATOM 0 HD2 LYS B 96 11.203 8.436 -3.924 1.00 0.65 H new ATOM 0 HD3 LYS B 96 12.060 9.782 -3.200 1.00 0.65 H new ATOM 0 HE2 LYS B 96 9.762 9.677 -2.354 1.00 0.84 H new ATOM 0 HE3 LYS B 96 10.013 11.155 -3.262 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 7.980 9.495 -3.669 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 8.607 10.517 -4.872 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 9.076 8.886 -4.814 1.00 1.85 H new