USER MOD reduce.3.24.130724 H: found=0, std=0, add=1373, rem=0, adj=70 USER MOD reduce.3.24.130724 removed 1371 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 80 CYS SG : rot 180:sc= 0.439 USER MOD Set 1.2: B 84 ASN : amide:sc= 0.183 K(o=0.62,f=-3.8!) USER MOD Set 2.1: A 73 SER OG : rot -171:sc= 0.453 USER MOD Set 2.2: B 73 SER OG : rot 91:sc= 0.0215 USER MOD Set 2.3: B 77 THR OG1 : rot 73:sc= 1.62 USER MOD Set 3.1: B 58 SER OG : rot 114:sc= 1.67 USER MOD Set 3.2: B 61 LYS NZ :NH3+ -106:sc= 0.54 (180deg=0) USER MOD Set 4.1: B 15 THR OG1 : rot -83:sc= 1.34 USER MOD Set 4.2: B 72 TYR OH : rot 165:sc= 0 USER MOD Set 5.1: B 7 LYS NZ :NH3+ -155:sc= -0.352 (180deg=-0.43!) USER MOD Set 5.2: B 10 THR OG1 : rot 72:sc= 1.16 USER MOD Set 6.1: A 80 CYS SG : rot 180:sc= 0.186 USER MOD Set 6.2: A 84 ASN : amide:sc= 0.259 K(o=0.44,f=-3.6) USER MOD Set 7.1: A 62 ASN : amide:sc= -0.0333 K(o=0.46,f=-2.1) USER MOD Set 7.2: A 65 GLN : amide:sc= 0.492 K(o=0.46,f=-4.8!) USER MOD Set 8.1: A 18 LYS NZ :NH3+ -175:sc= 0.498 (180deg=0.338) USER MOD Set 8.2: A 19 TYR OH : rot -174:sc= 1.25 USER MOD Set 9.1: A 15 THR OG1 : rot -91:sc= 1.01 USER MOD Set 9.2: A 72 TYR OH : rot 161:sc= 0.00303 USER MOD Single : A 3 THR OG1 : rot 87:sc= 1.31 USER MOD Single : A 7 LYS NZ :NH3+ -134:sc= 0.481 (180deg=-0.659!) USER MOD Single : A 10 THR OG1 : rot 81:sc= 1.18 USER MOD Single : A 11 THR OG1 : rot 80:sc= 0.018 USER MOD Single : A 12 MET CE :methyl -176:sc= 0 (180deg=-0.0049) USER MOD Single : A 14 THR OG1 : rot 91:sc= 1.18 USER MOD Single : A 17 HIS : no HD1:sc= -0.652 X(o=-0.65,f=-0.5) USER MOD Single : A 20 SER OG : rot 143:sc= 0.66 USER MOD Single : A 25 SER OG : rot -164:sc= 1.27 USER MOD Single : A 26 LYS NZ :NH3+ -106:sc= 1.31 (180deg=-0.339) USER MOD Single : A 28 THR OG1 : rot 117:sc= 1.22 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 32 LYS NZ :NH3+ 164:sc= 2.52 (180deg=2.47) USER MOD Single : A 35 LYS NZ :NH3+ -173:sc= -0.591 (180deg=-0.732!) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 167:sc= 1.29 (180deg=1.12) USER MOD Single : A 43 CYS SG : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ -118:sc= 2.25 (180deg=-0.332!) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -119:sc= 0.0422 USER MOD Single : A 56 MET CE :methyl -165:sc= -0.0119 (180deg=-0.264) USER MOD Single : A 57 LYS NZ :NH3+ 155:sc= 2.27 (180deg=1.66) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 61 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0171) USER MOD Single : A 63 SER OG : rot -89:sc= 1.22 USER MOD Single : A 70 LYS NZ :NH3+ 169:sc= 0.0955 (180deg=-0.535!) USER MOD Single : A 77 THR OG1 : rot 95:sc= 1.2 USER MOD Single : A 78 MET CE :methyl 163:sc= 0 (180deg=-0.172) USER MOD Single : A 81 MET CE :methyl 164:sc= -0.0236 (180deg=-0.18) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : B 3 THR OG1 : rot 180:sc= 0 USER MOD Single : B 11 THR OG1 : rot 85:sc= 0.302 USER MOD Single : B 12 MET CE :methyl 158:sc= 0 (180deg=-0.235) USER MOD Single : B 14 THR OG1 : rot 85:sc= 0.0133 USER MOD Single : B 17 HIS : no HE2:sc= -0.432 K(o=-0.43,f=-1.6) USER MOD Single : B 18 LYS NZ :NH3+ 164:sc= 2.73 (180deg=2.35) USER MOD Single : B 19 TYR OH : rot -22:sc= 1.33 USER MOD Single : B 20 SER OG : rot -179:sc= -0.195 USER MOD Single : B 25 SER OG : rot 95:sc= 0.128 USER MOD Single : B 26 LYS NZ :NH3+ 136:sc= 1.26 (180deg=0.193) USER MOD Single : B 28 THR OG1 : rot 140:sc= 1.24 USER MOD Single : B 30 SER OG : rot -79:sc= 0.427 USER MOD Single : B 32 LYS NZ :NH3+ 166:sc= 0.735 (180deg=0.545) USER MOD Single : B 35 LYS NZ :NH3+ 158:sc= 0.0533 (180deg=-1.17) USER MOD Single : B 39 LYS NZ :NH3+ 164:sc= 0.382 (180deg=-0.141) USER MOD Single : B 40 LYS NZ :NH3+ 140:sc= -0.0584 (180deg=-2.34!) USER MOD Single : B 43 CYS SG : rot 180:sc= 0 USER MOD Single : B 47 MET CE :methyl -178:sc= -1.22 (180deg=-1.28) USER MOD Single : B 48 LYS NZ :NH3+ -157:sc= -0.537 (180deg=-0.744) USER MOD Single : B 50 SER OG : rot 180:sc= 0 USER MOD Single : B 51 SER OG : rot 60:sc= 1.19 USER MOD Single : B 56 MET CE :methyl 156:sc= -0.107 (180deg=-0.309) USER MOD Single : B 57 LYS NZ :NH3+ 168:sc= 1.48 (180deg=1.07) USER MOD Single : B 62 ASN : amide:sc=-0.00679 X(o=-0.0068,f=-0.0068) USER MOD Single : B 63 SER OG : rot 62:sc= 1.14 USER MOD Single : B 65 GLN : amide:sc= -0.45 X(o=-0.45,f=-0.55) USER MOD Single : B 70 LYS NZ :NH3+ 180:sc= 1.05 (180deg=1.05) USER MOD Single : B 78 MET CE :methyl 164:sc= 0 (180deg=-0.242) USER MOD Single : B 81 MET CE :methyl -165:sc= -0.122 (180deg=-0.672) USER MOD Single : B 83 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 17 N GLU A 2 9.201 2.958 21.133 1.00 1.78 N ATOM 18 CA GLU A 2 7.836 3.458 21.236 1.00 1.81 C ATOM 19 C GLU A 2 7.893 4.966 20.957 1.00 1.10 C ATOM 20 O GLU A 2 8.373 5.745 21.780 1.00 1.61 O ATOM 21 CB GLU A 2 7.270 3.144 22.633 1.00 3.02 C ATOM 22 CG GLU A 2 5.812 3.587 22.845 1.00 4.67 C ATOM 23 CD GLU A 2 4.816 2.875 21.928 1.00 5.67 C ATOM 24 OE1 GLU A 2 5.055 1.728 21.504 1.00 5.91 O ATOM 25 OE2 GLU A 2 3.772 3.468 21.583 1.00 6.65 O ATOM 0 HA GLU A 2 7.171 2.980 20.517 1.00 1.81 H new ATOM 0 HB2 GLU A 2 7.339 2.070 22.806 1.00 3.02 H new ATOM 0 HB3 GLU A 2 7.896 3.628 23.382 1.00 3.02 H new ATOM 0 HG2 GLU A 2 5.533 3.404 23.883 1.00 4.67 H new ATOM 0 HG3 GLU A 2 5.740 4.662 22.680 1.00 4.67 H new ATOM 32 N THR A 3 7.449 5.372 19.764 1.00 1.06 N ATOM 33 CA THR A 3 7.285 6.774 19.346 1.00 0.69 C ATOM 34 C THR A 3 6.045 6.839 18.449 1.00 0.87 C ATOM 35 O THR A 3 5.787 5.848 17.761 1.00 1.14 O ATOM 36 CB THR A 3 8.535 7.370 18.650 1.00 0.91 C ATOM 37 OG1 THR A 3 8.348 7.503 17.259 1.00 1.07 O ATOM 38 CG2 THR A 3 9.838 6.588 18.840 1.00 1.76 C ATOM 0 H THR A 3 7.183 4.712 19.033 1.00 1.06 H new ATOM 0 HA THR A 3 7.157 7.395 20.233 1.00 0.69 H new ATOM 0 HB THR A 3 8.641 8.334 19.148 1.00 0.91 H new ATOM 0 HG1 THR A 3 7.917 8.362 17.068 1.00 1.07 H new ATOM 0 HG21 THR A 3 10.646 7.094 18.311 1.00 1.76 H new ATOM 0 HG22 THR A 3 10.078 6.533 19.902 1.00 1.76 H new ATOM 0 HG23 THR A 3 9.719 5.580 18.442 1.00 1.76 H new ATOM 46 N PRO A 4 5.293 7.956 18.413 1.00 1.07 N ATOM 47 CA PRO A 4 4.013 8.013 17.710 1.00 1.48 C ATOM 48 C PRO A 4 4.166 7.710 16.217 1.00 1.35 C ATOM 49 O PRO A 4 3.430 6.876 15.695 1.00 1.45 O ATOM 50 CB PRO A 4 3.448 9.417 17.981 1.00 1.93 C ATOM 51 CG PRO A 4 4.670 10.248 18.370 1.00 1.79 C ATOM 52 CD PRO A 4 5.579 9.229 19.059 1.00 1.25 C ATOM 0 HA PRO A 4 3.325 7.248 18.070 1.00 1.48 H new ATOM 0 HB2 PRO A 4 2.955 9.824 17.098 1.00 1.93 H new ATOM 0 HB3 PRO A 4 2.708 9.400 18.781 1.00 1.93 H new ATOM 0 HG2 PRO A 4 5.150 10.691 17.498 1.00 1.79 H new ATOM 0 HG3 PRO A 4 4.404 11.067 19.038 1.00 1.79 H new ATOM 0 HD2 PRO A 4 6.629 9.500 18.946 1.00 1.25 H new ATOM 0 HD3 PRO A 4 5.375 9.181 20.129 1.00 1.25 H new ATOM 60 N LEU A 5 5.146 8.323 15.541 1.00 1.18 N ATOM 61 CA LEU A 5 5.393 8.079 14.119 1.00 1.12 C ATOM 62 C LEU A 5 6.044 6.714 13.868 1.00 1.01 C ATOM 63 O LEU A 5 5.706 6.062 12.876 1.00 1.07 O ATOM 64 CB LEU A 5 6.186 9.273 13.571 1.00 1.16 C ATOM 65 CG LEU A 5 6.161 9.420 12.038 1.00 1.36 C ATOM 66 CD1 LEU A 5 6.431 10.884 11.693 1.00 2.97 C ATOM 67 CD2 LEU A 5 7.228 8.578 11.329 1.00 1.94 C ATOM 0 H LEU A 5 5.785 8.997 15.963 1.00 1.18 H new ATOM 0 HA LEU A 5 4.453 8.013 13.571 1.00 1.12 H new ATOM 0 HB2 LEU A 5 5.792 10.187 14.015 1.00 1.16 H new ATOM 0 HB3 LEU A 5 7.222 9.182 13.896 1.00 1.16 H new ATOM 0 HG LEU A 5 5.184 9.075 11.700 1.00 1.36 H new ATOM 0 HD11 LEU A 5 6.418 11.011 10.611 1.00 2.97 H new ATOM 0 HD12 LEU A 5 5.661 11.512 12.141 1.00 2.97 H new ATOM 0 HD13 LEU A 5 7.407 11.175 12.081 1.00 2.97 H new ATOM 0 HD21 LEU A 5 7.154 8.729 10.252 1.00 1.94 H new ATOM 0 HD22 LEU A 5 8.217 8.882 11.671 1.00 1.94 H new ATOM 0 HD23 LEU A 5 7.072 7.524 11.559 1.00 1.94 H new ATOM 79 N GLU A 6 6.893 6.218 14.778 1.00 0.93 N ATOM 80 CA GLU A 6 7.448 4.863 14.686 1.00 0.99 C ATOM 81 C GLU A 6 6.335 3.799 14.634 1.00 1.05 C ATOM 82 O GLU A 6 6.485 2.792 13.937 1.00 1.09 O ATOM 83 CB GLU A 6 8.408 4.595 15.855 1.00 1.09 C ATOM 84 CG GLU A 6 9.237 3.321 15.649 1.00 1.36 C ATOM 85 CD GLU A 6 10.076 2.963 16.868 1.00 2.22 C ATOM 86 OE1 GLU A 6 9.568 3.030 18.006 1.00 3.30 O ATOM 87 OE2 GLU A 6 11.228 2.497 16.730 1.00 3.26 O ATOM 0 H GLU A 6 7.212 6.742 15.593 1.00 0.93 H new ATOM 0 HA GLU A 6 8.009 4.794 13.754 1.00 0.99 H new ATOM 0 HB2 GLU A 6 9.078 5.446 15.974 1.00 1.09 H new ATOM 0 HB3 GLU A 6 7.836 4.508 16.779 1.00 1.09 H new ATOM 0 HG2 GLU A 6 8.569 2.492 15.416 1.00 1.36 H new ATOM 0 HG3 GLU A 6 9.892 3.454 14.788 1.00 1.36 H new ATOM 94 N LYS A 7 5.184 4.021 15.283 1.00 1.11 N ATOM 95 CA LYS A 7 4.049 3.094 15.189 1.00 1.29 C ATOM 96 C LYS A 7 3.528 2.954 13.749 1.00 1.18 C ATOM 97 O LYS A 7 3.141 1.853 13.360 1.00 1.22 O ATOM 98 CB LYS A 7 2.896 3.474 16.138 1.00 1.69 C ATOM 99 CG LYS A 7 3.270 3.828 17.587 1.00 1.89 C ATOM 100 CD LYS A 7 4.345 2.946 18.252 1.00 2.20 C ATOM 101 CE LYS A 7 3.848 1.540 18.602 1.00 2.59 C ATOM 102 NZ LYS A 7 2.957 1.579 19.783 1.00 3.86 N ATOM 0 H LYS A 7 5.015 4.833 15.877 1.00 1.11 H new ATOM 0 HA LYS A 7 4.436 2.125 15.505 1.00 1.29 H new ATOM 0 HB2 LYS A 7 2.369 4.325 15.707 1.00 1.69 H new ATOM 0 HB3 LYS A 7 2.191 2.643 16.164 1.00 1.69 H new ATOM 0 HG2 LYS A 7 3.615 4.862 17.608 1.00 1.89 H new ATOM 0 HG3 LYS A 7 2.366 3.781 18.194 1.00 1.89 H new ATOM 0 HD2 LYS A 7 5.202 2.864 17.583 1.00 2.20 H new ATOM 0 HD3 LYS A 7 4.695 3.436 19.160 1.00 2.20 H new ATOM 0 HE2 LYS A 7 3.314 1.115 17.752 1.00 2.59 H new ATOM 0 HE3 LYS A 7 4.698 0.888 18.803 1.00 2.59 H new ATOM 0 HZ1 LYS A 7 3.224 0.822 20.444 1.00 3.86 H new ATOM 0 HZ2 LYS A 7 3.049 2.500 20.257 1.00 3.86 H new ATOM 0 HZ3 LYS A 7 1.972 1.442 19.479 1.00 3.86 H new ATOM 116 N ALA A 8 3.572 4.015 12.933 1.00 1.12 N ATOM 117 CA ALA A 8 3.178 3.944 11.524 1.00 1.09 C ATOM 118 C ALA A 8 4.088 2.983 10.752 1.00 0.83 C ATOM 119 O ALA A 8 3.595 2.035 10.141 1.00 0.77 O ATOM 120 CB ALA A 8 3.170 5.347 10.900 1.00 1.25 C ATOM 0 H ALA A 8 3.880 4.941 13.231 1.00 1.12 H new ATOM 0 HA ALA A 8 2.164 3.548 11.463 1.00 1.09 H new ATOM 0 HB1 ALA A 8 2.875 5.278 9.853 1.00 1.25 H new ATOM 0 HB2 ALA A 8 2.462 5.979 11.435 1.00 1.25 H new ATOM 0 HB3 ALA A 8 4.167 5.781 10.968 1.00 1.25 H new ATOM 126 N LEU A 9 5.412 3.169 10.840 1.00 0.75 N ATOM 127 CA LEU A 9 6.392 2.280 10.214 1.00 0.66 C ATOM 128 C LEU A 9 6.226 0.855 10.750 1.00 0.70 C ATOM 129 O LEU A 9 6.169 -0.081 9.953 1.00 0.68 O ATOM 130 CB LEU A 9 7.826 2.816 10.434 1.00 0.67 C ATOM 131 CG LEU A 9 8.273 3.952 9.489 1.00 0.69 C ATOM 132 CD1 LEU A 9 8.480 3.455 8.050 1.00 0.87 C ATOM 133 CD2 LEU A 9 7.300 5.138 9.494 1.00 0.83 C ATOM 0 H LEU A 9 5.832 3.945 11.351 1.00 0.75 H new ATOM 0 HA LEU A 9 6.217 2.253 9.138 1.00 0.66 H new ATOM 0 HB2 LEU A 9 7.907 3.171 11.461 1.00 0.67 H new ATOM 0 HB3 LEU A 9 8.524 1.985 10.328 1.00 0.67 H new ATOM 0 HG LEU A 9 9.230 4.299 9.879 1.00 0.69 H new ATOM 0 HD11 LEU A 9 8.794 4.287 7.419 1.00 0.87 H new ATOM 0 HD12 LEU A 9 9.248 2.681 8.039 1.00 0.87 H new ATOM 0 HD13 LEU A 9 7.545 3.044 7.669 1.00 0.87 H new ATOM 0 HD21 LEU A 9 7.662 5.908 8.813 1.00 0.83 H new ATOM 0 HD22 LEU A 9 6.315 4.802 9.171 1.00 0.83 H new ATOM 0 HD23 LEU A 9 7.231 5.548 10.502 1.00 0.83 H new ATOM 145 N THR A 10 6.060 0.689 12.068 1.00 0.84 N ATOM 146 CA THR A 10 5.811 -0.605 12.722 1.00 0.96 C ATOM 147 C THR A 10 4.611 -1.318 12.107 1.00 0.94 C ATOM 148 O THR A 10 4.742 -2.482 11.728 1.00 0.96 O ATOM 149 CB THR A 10 5.625 -0.423 14.229 1.00 1.20 C ATOM 150 OG1 THR A 10 6.762 0.216 14.753 1.00 1.31 O ATOM 151 CG2 THR A 10 5.473 -1.765 14.942 1.00 1.43 C ATOM 0 H THR A 10 6.096 1.468 12.726 1.00 0.84 H new ATOM 0 HA THR A 10 6.686 -1.234 12.559 1.00 0.96 H new ATOM 0 HB THR A 10 4.722 0.167 14.387 1.00 1.20 H new ATOM 0 HG1 THR A 10 6.694 1.182 14.601 1.00 1.31 H new ATOM 0 HG21 THR A 10 5.343 -1.596 16.011 1.00 1.43 H new ATOM 0 HG22 THR A 10 4.602 -2.289 14.549 1.00 1.43 H new ATOM 0 HG23 THR A 10 6.365 -2.368 14.776 1.00 1.43 H new ATOM 159 N THR A 11 3.476 -0.636 11.923 1.00 0.93 N ATOM 160 CA THR A 11 2.314 -1.185 11.207 1.00 0.92 C ATOM 161 C THR A 11 2.677 -1.565 9.774 1.00 0.74 C ATOM 162 O THR A 11 2.367 -2.684 9.374 1.00 0.71 O ATOM 163 CB THR A 11 1.140 -0.198 11.255 1.00 1.02 C ATOM 164 OG1 THR A 11 0.690 -0.122 12.584 1.00 1.23 O ATOM 165 CG2 THR A 11 -0.064 -0.632 10.417 1.00 1.32 C ATOM 0 H THR A 11 3.334 0.314 12.266 1.00 0.93 H new ATOM 0 HA THR A 11 2.001 -2.100 11.709 1.00 0.92 H new ATOM 0 HB THR A 11 1.511 0.747 10.858 1.00 1.02 H new ATOM 0 HG1 THR A 11 1.281 0.469 13.096 1.00 1.23 H new ATOM 0 HG21 THR A 11 -0.854 0.115 10.500 1.00 1.32 H new ATOM 0 HG22 THR A 11 0.235 -0.729 9.373 1.00 1.32 H new ATOM 0 HG23 THR A 11 -0.433 -1.592 10.779 1.00 1.32 H new ATOM 173 N MET A 12 3.378 -0.704 9.027 1.00 0.67 N ATOM 174 CA MET A 12 3.796 -0.998 7.641 1.00 0.56 C ATOM 175 C MET A 12 4.691 -2.236 7.549 1.00 0.54 C ATOM 176 O MET A 12 4.444 -3.093 6.706 1.00 0.52 O ATOM 177 CB MET A 12 4.522 0.194 6.991 1.00 0.57 C ATOM 178 CG MET A 12 3.627 1.409 6.751 1.00 0.86 C ATOM 179 SD MET A 12 4.534 2.824 6.070 1.00 1.05 S ATOM 180 CE MET A 12 3.189 3.663 5.197 1.00 0.78 C ATOM 0 H MET A 12 3.673 0.214 9.360 1.00 0.67 H new ATOM 0 HA MET A 12 2.872 -1.194 7.096 1.00 0.56 H new ATOM 0 HB2 MET A 12 5.356 0.490 7.628 1.00 0.57 H new ATOM 0 HB3 MET A 12 4.946 -0.127 6.039 1.00 0.57 H new ATOM 0 HG2 MET A 12 2.824 1.134 6.067 1.00 0.86 H new ATOM 0 HG3 MET A 12 3.159 1.701 7.691 1.00 0.86 H new ATOM 0 HE1 MET A 12 3.586 4.523 4.658 1.00 0.78 H new ATOM 0 HE2 MET A 12 2.728 2.973 4.491 1.00 0.78 H new ATOM 0 HE3 MET A 12 2.442 3.999 5.916 1.00 0.78 H new ATOM 190 N VAL A 13 5.708 -2.363 8.404 1.00 0.64 N ATOM 191 CA VAL A 13 6.671 -3.479 8.324 1.00 0.73 C ATOM 192 C VAL A 13 6.052 -4.803 8.796 1.00 0.77 C ATOM 193 O VAL A 13 6.323 -5.852 8.209 1.00 0.83 O ATOM 194 CB VAL A 13 8.003 -3.180 9.054 1.00 0.85 C ATOM 195 CG1 VAL A 13 8.679 -1.936 8.447 1.00 0.90 C ATOM 196 CG2 VAL A 13 7.878 -3.023 10.574 1.00 0.91 C ATOM 0 H VAL A 13 5.892 -1.708 9.164 1.00 0.64 H new ATOM 0 HA VAL A 13 6.918 -3.589 7.268 1.00 0.73 H new ATOM 0 HB VAL A 13 8.623 -4.063 8.899 1.00 0.85 H new ATOM 0 HG11 VAL A 13 9.614 -1.738 8.971 1.00 0.90 H new ATOM 0 HG12 VAL A 13 8.884 -2.112 7.391 1.00 0.90 H new ATOM 0 HG13 VAL A 13 8.017 -1.076 8.549 1.00 0.90 H new ATOM 0 HG21 VAL A 13 8.860 -2.816 11.000 1.00 0.91 H new ATOM 0 HG22 VAL A 13 7.203 -2.198 10.800 1.00 0.91 H new ATOM 0 HG23 VAL A 13 7.483 -3.944 11.004 1.00 0.91 H new ATOM 206 N THR A 14 5.161 -4.749 9.802 1.00 0.79 N ATOM 207 CA THR A 14 4.442 -5.924 10.320 1.00 0.88 C ATOM 208 C THR A 14 3.491 -6.487 9.268 1.00 0.86 C ATOM 209 O THR A 14 3.459 -7.700 9.071 1.00 1.02 O ATOM 210 CB THR A 14 3.688 -5.582 11.613 1.00 0.94 C ATOM 211 OG1 THR A 14 4.591 -5.007 12.522 1.00 1.12 O ATOM 212 CG2 THR A 14 3.107 -6.818 12.292 1.00 1.22 C ATOM 0 H THR A 14 4.919 -3.882 10.281 1.00 0.79 H new ATOM 0 HA THR A 14 5.179 -6.692 10.555 1.00 0.88 H new ATOM 0 HB THR A 14 2.875 -4.908 11.343 1.00 0.94 H new ATOM 0 HG1 THR A 14 4.594 -4.034 12.409 1.00 1.12 H new ATOM 0 HG21 THR A 14 2.584 -6.522 13.201 1.00 1.22 H new ATOM 0 HG22 THR A 14 2.408 -7.310 11.616 1.00 1.22 H new ATOM 0 HG23 THR A 14 3.913 -7.507 12.545 1.00 1.22 H new ATOM 220 N THR A 15 2.767 -5.617 8.556 1.00 0.71 N ATOM 221 CA THR A 15 1.852 -5.995 7.464 1.00 0.66 C ATOM 222 C THR A 15 2.579 -6.420 6.194 1.00 0.62 C ATOM 223 O THR A 15 2.091 -7.311 5.511 1.00 0.75 O ATOM 224 CB THR A 15 0.856 -4.882 7.143 1.00 0.63 C ATOM 225 OG1 THR A 15 1.529 -3.659 7.027 1.00 1.16 O ATOM 226 CG2 THR A 15 -0.203 -4.746 8.236 1.00 1.08 C ATOM 0 H THR A 15 2.798 -4.611 8.722 1.00 0.71 H new ATOM 0 HA THR A 15 1.305 -6.861 7.835 1.00 0.66 H new ATOM 0 HB THR A 15 0.367 -5.142 6.204 1.00 0.63 H new ATOM 0 HG1 THR A 15 1.555 -3.216 7.901 1.00 1.16 H new ATOM 0 HG21 THR A 15 -0.895 -3.945 7.975 1.00 1.08 H new ATOM 0 HG22 THR A 15 -0.752 -5.683 8.330 1.00 1.08 H new ATOM 0 HG23 THR A 15 0.281 -4.513 9.184 1.00 1.08 H new ATOM 234 N PHE A 16 3.755 -5.868 5.889 1.00 0.60 N ATOM 235 CA PHE A 16 4.546 -6.272 4.722 1.00 0.60 C ATOM 236 C PHE A 16 5.121 -7.686 4.877 1.00 0.63 C ATOM 237 O PHE A 16 5.015 -8.502 3.961 1.00 0.64 O ATOM 238 CB PHE A 16 5.658 -5.236 4.507 1.00 0.67 C ATOM 239 CG PHE A 16 6.480 -5.415 3.246 1.00 0.66 C ATOM 240 CD1 PHE A 16 7.621 -6.241 3.248 1.00 2.25 C ATOM 241 CD2 PHE A 16 6.132 -4.715 2.074 1.00 1.71 C ATOM 242 CE1 PHE A 16 8.413 -6.352 2.092 1.00 2.27 C ATOM 243 CE2 PHE A 16 6.948 -4.789 0.934 1.00 1.71 C ATOM 244 CZ PHE A 16 8.088 -5.608 0.942 1.00 0.71 C ATOM 0 H PHE A 16 4.187 -5.128 6.443 1.00 0.60 H new ATOM 0 HA PHE A 16 3.898 -6.305 3.846 1.00 0.60 H new ATOM 0 HB2 PHE A 16 5.208 -4.244 4.489 1.00 0.67 H new ATOM 0 HB3 PHE A 16 6.329 -5.266 5.365 1.00 0.67 H new ATOM 0 HD1 PHE A 16 7.888 -6.790 4.139 1.00 2.25 H new ATOM 0 HD2 PHE A 16 5.232 -4.118 2.052 1.00 1.71 H new ATOM 0 HE1 PHE A 16 9.271 -7.008 2.086 1.00 2.27 H new ATOM 0 HE2 PHE A 16 6.699 -4.217 0.052 1.00 1.71 H new ATOM 0 HZ PHE A 16 8.716 -5.667 0.065 1.00 0.71 H new ATOM 254 N HIS A 17 5.669 -8.034 6.047 1.00 0.72 N ATOM 255 CA HIS A 17 6.203 -9.381 6.289 1.00 0.80 C ATOM 256 C HIS A 17 5.100 -10.458 6.378 1.00 0.94 C ATOM 257 O HIS A 17 5.374 -11.640 6.203 1.00 1.20 O ATOM 258 CB HIS A 17 7.113 -9.361 7.518 1.00 0.81 C ATOM 259 CG HIS A 17 8.062 -10.537 7.577 1.00 1.08 C ATOM 260 ND1 HIS A 17 7.905 -11.686 8.320 1.00 1.90 N ATOM 261 CD2 HIS A 17 9.263 -10.647 6.924 1.00 1.37 C ATOM 262 CE1 HIS A 17 8.997 -12.450 8.141 1.00 2.14 C ATOM 263 NE2 HIS A 17 9.861 -11.855 7.303 1.00 1.76 N ATOM 0 H HIS A 17 5.755 -7.401 6.842 1.00 0.72 H new ATOM 0 HA HIS A 17 6.802 -9.669 5.425 1.00 0.80 H new ATOM 0 HB2 HIS A 17 7.690 -8.436 7.519 1.00 0.81 H new ATOM 0 HB3 HIS A 17 6.497 -9.354 8.418 1.00 0.81 H new ATOM 0 HD2 HIS A 17 9.677 -9.925 6.235 1.00 1.37 H new ATOM 0 HE1 HIS A 17 9.157 -13.411 8.607 1.00 2.14 H new ATOM 0 HE2 HIS A 17 10.769 -12.211 7.003 1.00 1.76 H new ATOM 272 N LYS A 18 3.835 -10.065 6.566 1.00 0.89 N ATOM 273 CA LYS A 18 2.659 -10.939 6.428 1.00 1.08 C ATOM 274 C LYS A 18 2.536 -11.523 4.996 1.00 0.98 C ATOM 275 O LYS A 18 1.918 -12.576 4.798 1.00 1.16 O ATOM 276 CB LYS A 18 1.433 -10.101 6.854 1.00 1.20 C ATOM 277 CG LYS A 18 0.251 -10.835 7.503 1.00 1.57 C ATOM 278 CD LYS A 18 -0.618 -11.640 6.525 1.00 1.94 C ATOM 279 CE LYS A 18 -2.026 -11.892 7.084 1.00 2.47 C ATOM 280 NZ LYS A 18 -2.844 -10.654 7.156 1.00 3.24 N ATOM 0 H LYS A 18 3.592 -9.109 6.824 1.00 0.89 H new ATOM 0 HA LYS A 18 2.744 -11.817 7.068 1.00 1.08 H new ATOM 0 HB2 LYS A 18 1.776 -9.337 7.552 1.00 1.20 H new ATOM 0 HB3 LYS A 18 1.060 -9.582 5.971 1.00 1.20 H new ATOM 0 HG2 LYS A 18 0.635 -11.510 8.267 1.00 1.57 H new ATOM 0 HG3 LYS A 18 -0.379 -10.104 8.011 1.00 1.57 H new ATOM 0 HD2 LYS A 18 -0.694 -11.103 5.580 1.00 1.94 H new ATOM 0 HD3 LYS A 18 -0.136 -12.594 6.312 1.00 1.94 H new ATOM 0 HE2 LYS A 18 -2.536 -12.624 6.457 1.00 2.47 H new ATOM 0 HE3 LYS A 18 -1.945 -12.327 8.080 1.00 2.47 H new ATOM 0 HZ1 LYS A 18 -3.752 -10.864 7.618 1.00 3.24 H new ATOM 0 HZ2 LYS A 18 -2.335 -9.933 7.706 1.00 3.24 H new ATOM 0 HZ3 LYS A 18 -3.019 -10.297 6.195 1.00 3.24 H new ATOM 294 N TYR A 19 3.169 -10.875 4.008 1.00 0.74 N ATOM 295 CA TYR A 19 3.131 -11.238 2.584 1.00 0.73 C ATOM 296 C TYR A 19 4.497 -11.456 1.910 1.00 0.80 C ATOM 297 O TYR A 19 4.563 -12.262 0.987 1.00 1.21 O ATOM 298 CB TYR A 19 2.318 -10.190 1.838 1.00 0.67 C ATOM 299 CG TYR A 19 0.874 -10.189 2.274 1.00 0.65 C ATOM 300 CD1 TYR A 19 -0.026 -11.152 1.783 1.00 1.63 C ATOM 301 CD2 TYR A 19 0.455 -9.271 3.241 1.00 1.94 C ATOM 302 CE1 TYR A 19 -1.352 -11.186 2.244 1.00 1.68 C ATOM 303 CE2 TYR A 19 -0.873 -9.278 3.693 1.00 1.94 C ATOM 304 CZ TYR A 19 -1.783 -10.247 3.204 1.00 0.74 C ATOM 305 OH TYR A 19 -3.056 -10.316 3.666 1.00 0.85 O ATOM 0 H TYR A 19 3.744 -10.051 4.186 1.00 0.74 H new ATOM 0 HA TYR A 19 2.662 -12.220 2.534 1.00 0.73 H new ATOM 0 HB2 TYR A 19 2.750 -9.204 2.009 1.00 0.67 H new ATOM 0 HB3 TYR A 19 2.374 -10.381 0.766 1.00 0.67 H new ATOM 0 HD1 TYR A 19 0.305 -11.870 1.047 1.00 1.63 H new ATOM 0 HD2 TYR A 19 1.156 -8.554 3.642 1.00 1.94 H new ATOM 0 HE1 TYR A 19 -2.039 -11.928 1.865 1.00 1.68 H new ATOM 0 HE2 TYR A 19 -1.202 -8.544 4.414 1.00 1.94 H new ATOM 0 HH TYR A 19 -3.234 -9.549 4.250 1.00 0.85 H new ATOM 315 N SER A 20 5.586 -10.836 2.374 1.00 0.74 N ATOM 316 CA SER A 20 6.960 -11.224 1.979 1.00 0.79 C ATOM 317 C SER A 20 7.512 -12.419 2.780 1.00 0.99 C ATOM 318 O SER A 20 8.280 -13.226 2.259 1.00 1.38 O ATOM 319 CB SER A 20 7.944 -10.053 2.138 1.00 0.77 C ATOM 320 OG SER A 20 8.267 -9.741 3.484 1.00 1.78 O ATOM 0 H SER A 20 5.550 -10.056 3.030 1.00 0.74 H new ATOM 0 HA SER A 20 6.877 -11.516 0.932 1.00 0.79 H new ATOM 0 HB2 SER A 20 8.863 -10.290 1.602 1.00 0.77 H new ATOM 0 HB3 SER A 20 7.518 -9.169 1.664 1.00 0.77 H new ATOM 0 HG SER A 20 9.212 -9.489 3.544 1.00 1.78 H new ATOM 326 N GLY A 21 7.121 -12.559 4.050 1.00 1.22 N ATOM 327 CA GLY A 21 7.806 -13.384 5.058 1.00 1.48 C ATOM 328 C GLY A 21 7.507 -14.877 4.991 1.00 1.54 C ATOM 329 O GLY A 21 7.491 -15.546 6.024 1.00 2.09 O ATOM 0 H GLY A 21 6.295 -12.089 4.419 1.00 1.22 H new ATOM 0 HA2 GLY A 21 8.881 -13.241 4.951 1.00 1.48 H new ATOM 0 HA3 GLY A 21 7.533 -13.020 6.048 1.00 1.48 H new ATOM 332 N ARG A 22 7.245 -15.381 3.783 1.00 1.42 N ATOM 333 CA ARG A 22 6.982 -16.792 3.495 1.00 1.83 C ATOM 334 C ARG A 22 8.271 -17.565 3.180 1.00 2.55 C ATOM 335 O ARG A 22 8.351 -18.729 3.548 1.00 3.19 O ATOM 336 CB ARG A 22 5.987 -16.935 2.327 1.00 1.90 C ATOM 337 CG ARG A 22 4.532 -16.567 2.660 1.00 2.06 C ATOM 338 CD ARG A 22 4.280 -15.061 2.805 1.00 2.67 C ATOM 339 NE ARG A 22 2.840 -14.752 2.883 1.00 3.01 N ATOM 340 CZ ARG A 22 2.002 -14.642 1.857 1.00 3.17 C ATOM 341 NH1 ARG A 22 2.366 -14.840 0.615 1.00 3.03 N ATOM 342 NH2 ARG A 22 0.759 -14.272 2.040 1.00 4.19 N ATOM 0 H ARG A 22 7.209 -14.796 2.948 1.00 1.42 H new ATOM 0 HA ARG A 22 6.544 -17.224 4.395 1.00 1.83 H new ATOM 0 HB2 ARG A 22 6.325 -16.306 1.503 1.00 1.90 H new ATOM 0 HB3 ARG A 22 6.013 -17.965 1.973 1.00 1.90 H new ATOM 0 HG2 ARG A 22 3.882 -16.959 1.877 1.00 2.06 H new ATOM 0 HG3 ARG A 22 4.247 -17.062 3.588 1.00 2.06 H new ATOM 0 HD2 ARG A 22 4.780 -14.693 3.701 1.00 2.67 H new ATOM 0 HD3 ARG A 22 4.719 -14.536 1.957 1.00 2.67 H new ATOM 0 HE ARG A 22 2.449 -14.609 3.814 1.00 3.01 H new ATOM 0 HH11 ARG A 22 3.331 -15.091 0.400 1.00 3.03 H new ATOM 0 HH12 ARG A 22 1.685 -14.743 -0.138 1.00 3.03 H new ATOM 0 HH21 ARG A 22 0.422 -14.064 2.980 1.00 4.19 H new ATOM 0 HH22 ARG A 22 0.128 -14.192 1.243 1.00 4.19 H new ATOM 356 N GLU A 23 9.261 -16.950 2.517 1.00 2.64 N ATOM 357 CA GLU A 23 10.478 -17.612 2.022 1.00 3.38 C ATOM 358 C GLU A 23 11.679 -16.628 1.994 1.00 3.35 C ATOM 359 O GLU A 23 11.811 -15.773 2.874 1.00 4.05 O ATOM 360 CB GLU A 23 10.219 -18.240 0.624 1.00 3.71 C ATOM 361 CG GLU A 23 9.128 -19.318 0.540 1.00 4.29 C ATOM 362 CD GLU A 23 9.069 -19.934 -0.862 1.00 4.96 C ATOM 363 OE1 GLU A 23 10.058 -20.605 -1.228 1.00 6.10 O ATOM 364 OE2 GLU A 23 8.044 -19.716 -1.545 1.00 4.95 O ATOM 0 H GLU A 23 9.237 -15.953 2.304 1.00 2.64 H new ATOM 0 HA GLU A 23 10.739 -18.416 2.710 1.00 3.38 H new ATOM 0 HB2 GLU A 23 9.957 -17.437 -0.066 1.00 3.71 H new ATOM 0 HB3 GLU A 23 11.153 -18.674 0.268 1.00 3.71 H new ATOM 0 HG2 GLU A 23 9.325 -20.098 1.275 1.00 4.29 H new ATOM 0 HG3 GLU A 23 8.161 -18.882 0.790 1.00 4.29 H new ATOM 371 N GLY A 24 12.563 -16.744 0.990 1.00 3.32 N ATOM 372 CA GLY A 24 13.597 -15.765 0.653 1.00 3.17 C ATOM 373 C GLY A 24 13.011 -14.556 -0.086 1.00 1.95 C ATOM 374 O GLY A 24 11.797 -14.431 -0.218 1.00 2.75 O ATOM 0 H GLY A 24 12.574 -17.554 0.370 1.00 3.32 H new ATOM 0 HA2 GLY A 24 14.092 -15.430 1.564 1.00 3.17 H new ATOM 0 HA3 GLY A 24 14.358 -16.238 0.032 1.00 3.17 H new ATOM 377 N SER A 25 13.877 -13.624 -0.501 1.00 2.03 N ATOM 378 CA SER A 25 13.475 -12.288 -0.984 1.00 1.72 C ATOM 379 C SER A 25 12.731 -11.472 0.103 1.00 1.71 C ATOM 380 O SER A 25 11.916 -10.617 -0.199 1.00 2.22 O ATOM 381 CB SER A 25 12.695 -12.348 -2.314 1.00 2.13 C ATOM 382 OG SER A 25 13.523 -12.720 -3.408 1.00 3.62 O ATOM 0 H SER A 25 14.886 -13.772 -0.513 1.00 2.03 H new ATOM 0 HA SER A 25 14.397 -11.749 -1.200 1.00 1.72 H new ATOM 0 HB2 SER A 25 11.877 -13.062 -2.221 1.00 2.13 H new ATOM 0 HB3 SER A 25 12.247 -11.375 -2.514 1.00 2.13 H new ATOM 0 HG SER A 25 13.070 -12.502 -4.250 1.00 3.62 H new ATOM 388 N LYS A 26 13.012 -11.676 1.401 1.00 1.52 N ATOM 389 CA LYS A 26 12.161 -11.152 2.493 1.00 1.52 C ATOM 390 C LYS A 26 11.972 -9.612 2.531 1.00 1.36 C ATOM 391 O LYS A 26 11.043 -9.127 3.186 1.00 1.53 O ATOM 392 CB LYS A 26 12.684 -11.700 3.838 1.00 1.68 C ATOM 393 CG LYS A 26 14.162 -11.354 4.106 1.00 2.23 C ATOM 394 CD LYS A 26 14.647 -11.822 5.484 1.00 2.15 C ATOM 395 CE LYS A 26 14.106 -10.921 6.602 1.00 2.53 C ATOM 396 NZ LYS A 26 14.877 -11.077 7.864 1.00 3.31 N ATOM 0 H LYS A 26 13.824 -12.202 1.725 1.00 1.52 H new ATOM 0 HA LYS A 26 11.152 -11.513 2.292 1.00 1.52 H new ATOM 0 HB2 LYS A 26 12.072 -11.301 4.647 1.00 1.68 H new ATOM 0 HB3 LYS A 26 12.564 -12.783 3.852 1.00 1.68 H new ATOM 0 HG2 LYS A 26 14.782 -11.811 3.334 1.00 2.23 H new ATOM 0 HG3 LYS A 26 14.297 -10.275 4.026 1.00 2.23 H new ATOM 0 HD2 LYS A 26 14.326 -12.850 5.655 1.00 2.15 H new ATOM 0 HD3 LYS A 26 15.737 -11.820 5.508 1.00 2.15 H new ATOM 0 HE2 LYS A 26 14.144 -9.880 6.280 1.00 2.53 H new ATOM 0 HE3 LYS A 26 13.058 -11.160 6.785 1.00 2.53 H new ATOM 0 HZ1 LYS A 26 14.314 -11.619 8.550 1.00 3.31 H new ATOM 0 HZ2 LYS A 26 15.764 -11.583 7.668 1.00 3.31 H new ATOM 0 HZ3 LYS A 26 15.093 -10.139 8.257 1.00 3.31 H new ATOM 410 N LEU A 27 12.833 -8.854 1.838 1.00 1.24 N ATOM 411 CA LEU A 27 12.761 -7.398 1.658 1.00 1.19 C ATOM 412 C LEU A 27 11.770 -6.933 0.570 1.00 0.82 C ATOM 413 O LEU A 27 11.417 -5.753 0.551 1.00 0.83 O ATOM 414 CB LEU A 27 14.187 -6.844 1.421 1.00 1.55 C ATOM 415 CG LEU A 27 14.809 -7.030 0.014 1.00 3.25 C ATOM 416 CD1 LEU A 27 16.135 -6.259 -0.060 1.00 3.49 C ATOM 417 CD2 LEU A 27 15.061 -8.499 -0.357 1.00 4.90 C ATOM 0 H LEU A 27 13.639 -9.261 1.364 1.00 1.24 H new ATOM 0 HA LEU A 27 12.351 -6.982 2.578 1.00 1.19 H new ATOM 0 HB2 LEU A 27 14.173 -5.777 1.643 1.00 1.55 H new ATOM 0 HB3 LEU A 27 14.853 -7.312 2.146 1.00 1.55 H new ATOM 0 HG LEU A 27 14.084 -6.643 -0.702 1.00 3.25 H new ATOM 0 HD11 LEU A 27 16.576 -6.387 -1.049 1.00 3.49 H new ATOM 0 HD12 LEU A 27 15.951 -5.200 0.120 1.00 3.49 H new ATOM 0 HD13 LEU A 27 16.821 -6.642 0.696 1.00 3.49 H new ATOM 0 HD21 LEU A 27 15.497 -8.553 -1.355 1.00 4.90 H new ATOM 0 HD22 LEU A 27 15.747 -8.944 0.364 1.00 4.90 H new ATOM 0 HD23 LEU A 27 14.117 -9.045 -0.344 1.00 4.90 H new ATOM 429 N THR A 28 11.322 -7.837 -0.307 1.00 0.72 N ATOM 430 CA THR A 28 10.424 -7.605 -1.447 1.00 0.64 C ATOM 431 C THR A 28 9.244 -8.580 -1.406 1.00 0.68 C ATOM 432 O THR A 28 9.155 -9.442 -0.533 1.00 0.85 O ATOM 433 CB THR A 28 11.204 -7.740 -2.770 1.00 0.75 C ATOM 434 OG1 THR A 28 12.094 -8.824 -2.729 1.00 0.82 O ATOM 435 CG2 THR A 28 12.025 -6.497 -3.104 1.00 1.06 C ATOM 0 H THR A 28 11.595 -8.817 -0.236 1.00 0.72 H new ATOM 0 HA THR A 28 10.026 -6.592 -1.383 1.00 0.64 H new ATOM 0 HB THR A 28 10.442 -7.888 -3.535 1.00 0.75 H new ATOM 0 HG1 THR A 28 11.840 -9.482 -3.410 1.00 0.82 H new ATOM 0 HG21 THR A 28 12.552 -6.651 -4.046 1.00 1.06 H new ATOM 0 HG22 THR A 28 11.362 -5.637 -3.196 1.00 1.06 H new ATOM 0 HG23 THR A 28 12.748 -6.314 -2.309 1.00 1.06 H new ATOM 443 N LEU A 29 8.302 -8.452 -2.342 1.00 0.66 N ATOM 444 CA LEU A 29 7.205 -9.407 -2.589 1.00 0.74 C ATOM 445 C LEU A 29 6.673 -9.269 -4.019 1.00 0.80 C ATOM 446 O LEU A 29 6.965 -8.284 -4.692 1.00 0.81 O ATOM 447 CB LEU A 29 6.081 -9.287 -1.532 1.00 0.77 C ATOM 448 CG LEU A 29 5.033 -8.167 -1.744 1.00 0.72 C ATOM 449 CD1 LEU A 29 3.979 -8.265 -0.636 1.00 0.81 C ATOM 450 CD2 LEU A 29 5.639 -6.761 -1.754 1.00 0.71 C ATOM 0 H LEU A 29 8.276 -7.653 -2.976 1.00 0.66 H new ATOM 0 HA LEU A 29 7.612 -10.413 -2.487 1.00 0.74 H new ATOM 0 HB2 LEU A 29 5.554 -10.240 -1.488 1.00 0.77 H new ATOM 0 HB3 LEU A 29 6.547 -9.135 -0.558 1.00 0.77 H new ATOM 0 HG LEU A 29 4.589 -8.318 -2.728 1.00 0.72 H new ATOM 0 HD11 LEU A 29 3.234 -7.482 -0.773 1.00 0.81 H new ATOM 0 HD12 LEU A 29 3.493 -9.240 -0.681 1.00 0.81 H new ATOM 0 HD13 LEU A 29 4.459 -8.143 0.335 1.00 0.81 H new ATOM 0 HD21 LEU A 29 4.849 -6.025 -1.907 1.00 0.71 H new ATOM 0 HD22 LEU A 29 6.133 -6.571 -0.801 1.00 0.71 H new ATOM 0 HD23 LEU A 29 6.367 -6.684 -2.561 1.00 0.71 H new ATOM 462 N SER A 30 5.880 -10.228 -4.505 1.00 0.94 N ATOM 463 CA SER A 30 5.358 -10.133 -5.874 1.00 1.01 C ATOM 464 C SER A 30 4.270 -9.058 -6.056 1.00 0.92 C ATOM 465 O SER A 30 3.448 -8.798 -5.171 1.00 0.88 O ATOM 466 CB SER A 30 4.900 -11.493 -6.423 1.00 1.16 C ATOM 467 OG SER A 30 3.687 -11.951 -5.840 1.00 1.73 O ATOM 0 H SER A 30 5.590 -11.059 -3.989 1.00 0.94 H new ATOM 0 HA SER A 30 6.207 -9.803 -6.472 1.00 1.01 H new ATOM 0 HB2 SER A 30 4.771 -11.417 -7.503 1.00 1.16 H new ATOM 0 HB3 SER A 30 5.682 -12.231 -6.246 1.00 1.16 H new ATOM 0 HG SER A 30 3.444 -12.818 -6.228 1.00 1.73 H new ATOM 473 N ARG A 31 4.215 -8.467 -7.247 1.00 0.95 N ATOM 474 CA ARG A 31 3.264 -7.438 -7.653 1.00 0.89 C ATOM 475 C ARG A 31 1.799 -7.867 -7.442 1.00 0.86 C ATOM 476 O ARG A 31 0.961 -7.029 -7.108 1.00 0.84 O ATOM 477 CB ARG A 31 3.645 -7.070 -9.100 1.00 1.19 C ATOM 478 CG ARG A 31 2.823 -5.954 -9.745 1.00 1.84 C ATOM 479 CD ARG A 31 3.480 -5.505 -11.069 1.00 2.43 C ATOM 480 NE ARG A 31 3.164 -4.102 -11.433 1.00 2.86 N ATOM 481 CZ ARG A 31 3.992 -3.059 -11.377 1.00 2.84 C ATOM 482 NH1 ARG A 31 5.297 -3.193 -11.287 1.00 2.80 N ATOM 483 NH2 ARG A 31 3.492 -1.844 -11.411 1.00 3.51 N ATOM 0 H ARG A 31 4.868 -8.706 -7.994 1.00 0.95 H new ATOM 0 HA ARG A 31 3.326 -6.548 -7.027 1.00 0.89 H new ATOM 0 HB2 ARG A 31 4.695 -6.777 -9.115 1.00 1.19 H new ATOM 0 HB3 ARG A 31 3.555 -7.964 -9.717 1.00 1.19 H new ATOM 0 HG2 ARG A 31 1.808 -6.303 -9.934 1.00 1.84 H new ATOM 0 HG3 ARG A 31 2.747 -5.107 -9.063 1.00 1.84 H new ATOM 0 HD2 ARG A 31 4.561 -5.617 -10.987 1.00 2.43 H new ATOM 0 HD3 ARG A 31 3.151 -6.165 -11.872 1.00 2.43 H new ATOM 0 HE ARG A 31 2.216 -3.916 -11.760 1.00 2.86 H new ATOM 0 HH11 ARG A 31 5.713 -4.124 -11.257 1.00 2.80 H new ATOM 0 HH12 ARG A 31 5.893 -2.366 -11.247 1.00 2.80 H new ATOM 0 HH21 ARG A 31 2.483 -1.709 -11.479 1.00 3.51 H new ATOM 0 HH22 ARG A 31 4.113 -1.036 -11.369 1.00 3.51 H new ATOM 497 N LYS A 32 1.479 -9.162 -7.554 1.00 0.98 N ATOM 498 CA LYS A 32 0.172 -9.707 -7.158 1.00 1.02 C ATOM 499 C LYS A 32 -0.012 -9.881 -5.637 1.00 1.00 C ATOM 500 O LYS A 32 -1.129 -9.698 -5.154 1.00 1.16 O ATOM 501 CB LYS A 32 -0.071 -11.007 -7.941 1.00 1.13 C ATOM 502 CG LYS A 32 -1.419 -11.680 -7.627 1.00 2.33 C ATOM 503 CD LYS A 32 -1.316 -12.698 -6.480 1.00 4.00 C ATOM 504 CE LYS A 32 -2.520 -12.598 -5.525 1.00 5.84 C ATOM 505 NZ LYS A 32 -2.370 -13.443 -4.312 1.00 7.90 N ATOM 0 H LYS A 32 2.120 -9.864 -7.923 1.00 0.98 H new ATOM 0 HA LYS A 32 -0.591 -8.973 -7.417 1.00 1.02 H new ATOM 0 HB2 LYS A 32 -0.023 -10.791 -9.008 1.00 1.13 H new ATOM 0 HB3 LYS A 32 0.734 -11.708 -7.721 1.00 1.13 H new ATOM 0 HG2 LYS A 32 -2.151 -10.916 -7.365 1.00 2.33 H new ATOM 0 HG3 LYS A 32 -1.788 -12.182 -8.522 1.00 2.33 H new ATOM 0 HD2 LYS A 32 -1.259 -13.706 -6.891 1.00 4.00 H new ATOM 0 HD3 LYS A 32 -0.394 -12.528 -5.924 1.00 4.00 H new ATOM 0 HE2 LYS A 32 -2.652 -11.559 -5.223 1.00 5.84 H new ATOM 0 HE3 LYS A 32 -3.424 -12.893 -6.057 1.00 5.84 H new ATOM 0 HZ1 LYS A 32 -3.056 -13.141 -3.591 1.00 7.90 H new ATOM 0 HZ2 LYS A 32 -2.542 -14.438 -4.559 1.00 7.90 H new ATOM 0 HZ3 LYS A 32 -1.406 -13.342 -3.935 1.00 7.90 H new ATOM 519 N GLU A 33 1.020 -10.199 -4.863 1.00 0.91 N ATOM 520 CA GLU A 33 0.859 -10.349 -3.412 1.00 0.90 C ATOM 521 C GLU A 33 0.785 -8.990 -2.692 1.00 0.89 C ATOM 522 O GLU A 33 0.016 -8.848 -1.746 1.00 0.98 O ATOM 523 CB GLU A 33 1.933 -11.284 -2.840 1.00 1.04 C ATOM 524 CG GLU A 33 1.479 -11.909 -1.512 1.00 1.75 C ATOM 525 CD GLU A 33 0.400 -12.994 -1.640 1.00 2.20 C ATOM 526 OE1 GLU A 33 -0.159 -13.178 -2.748 1.00 2.59 O ATOM 527 OE2 GLU A 33 0.173 -13.696 -0.627 1.00 3.35 O ATOM 0 H GLU A 33 1.968 -10.357 -5.206 1.00 0.91 H new ATOM 0 HA GLU A 33 -0.104 -10.824 -3.224 1.00 0.90 H new ATOM 0 HB2 GLU A 33 2.152 -12.073 -3.560 1.00 1.04 H new ATOM 0 HB3 GLU A 33 2.858 -10.728 -2.685 1.00 1.04 H new ATOM 0 HG2 GLU A 33 2.348 -12.339 -1.015 1.00 1.75 H new ATOM 0 HG3 GLU A 33 1.101 -11.117 -0.865 1.00 1.75 H new ATOM 534 N LEU A 34 1.448 -7.949 -3.211 1.00 0.81 N ATOM 535 CA LEU A 34 1.211 -6.545 -2.842 1.00 0.73 C ATOM 536 C LEU A 34 -0.264 -6.144 -3.005 1.00 0.78 C ATOM 537 O LEU A 34 -0.818 -5.432 -2.166 1.00 0.69 O ATOM 538 CB LEU A 34 2.134 -5.684 -3.720 1.00 0.77 C ATOM 539 CG LEU A 34 1.936 -4.157 -3.607 1.00 0.88 C ATOM 540 CD1 LEU A 34 2.184 -3.624 -2.191 1.00 1.05 C ATOM 541 CD2 LEU A 34 2.890 -3.463 -4.587 1.00 1.16 C ATOM 0 H LEU A 34 2.179 -8.060 -3.913 1.00 0.81 H new ATOM 0 HA LEU A 34 1.436 -6.393 -1.786 1.00 0.73 H new ATOM 0 HB2 LEU A 34 3.168 -5.917 -3.465 1.00 0.77 H new ATOM 0 HB3 LEU A 34 1.989 -5.974 -4.761 1.00 0.77 H new ATOM 0 HG LEU A 34 0.895 -3.941 -3.848 1.00 0.88 H new ATOM 0 HD11 LEU A 34 2.029 -2.545 -2.176 1.00 1.05 H new ATOM 0 HD12 LEU A 34 1.491 -4.100 -1.497 1.00 1.05 H new ATOM 0 HD13 LEU A 34 3.208 -3.848 -1.892 1.00 1.05 H new ATOM 0 HD21 LEU A 34 2.761 -2.383 -4.518 1.00 1.16 H new ATOM 0 HD22 LEU A 34 3.919 -3.722 -4.338 1.00 1.16 H new ATOM 0 HD23 LEU A 34 2.669 -3.790 -5.603 1.00 1.16 H new ATOM 553 N LYS A 35 -0.933 -6.607 -4.065 1.00 1.03 N ATOM 554 CA LYS A 35 -2.371 -6.402 -4.216 1.00 1.23 C ATOM 555 C LYS A 35 -3.162 -7.132 -3.122 1.00 1.31 C ATOM 556 O LYS A 35 -4.112 -6.559 -2.601 1.00 1.46 O ATOM 557 CB LYS A 35 -2.798 -6.834 -5.627 1.00 1.48 C ATOM 558 CG LYS A 35 -4.321 -6.796 -5.788 1.00 1.88 C ATOM 559 CD LYS A 35 -4.742 -7.132 -7.218 1.00 1.44 C ATOM 560 CE LYS A 35 -4.475 -5.947 -8.151 1.00 2.24 C ATOM 561 NZ LYS A 35 -5.025 -6.165 -9.505 1.00 3.27 N ATOM 0 H LYS A 35 -0.500 -7.125 -4.829 1.00 1.03 H new ATOM 0 HA LYS A 35 -2.597 -5.343 -4.095 1.00 1.23 H new ATOM 0 HB2 LYS A 35 -2.336 -6.178 -6.365 1.00 1.48 H new ATOM 0 HB3 LYS A 35 -2.435 -7.842 -5.826 1.00 1.48 H new ATOM 0 HG2 LYS A 35 -4.779 -7.504 -5.097 1.00 1.88 H new ATOM 0 HG3 LYS A 35 -4.691 -5.806 -5.522 1.00 1.88 H new ATOM 0 HD2 LYS A 35 -4.195 -8.008 -7.568 1.00 1.44 H new ATOM 0 HD3 LYS A 35 -5.801 -7.388 -7.240 1.00 1.44 H new ATOM 0 HE2 LYS A 35 -4.913 -5.045 -7.724 1.00 2.24 H new ATOM 0 HE3 LYS A 35 -3.401 -5.777 -8.221 1.00 2.24 H new ATOM 0 HZ1 LYS A 35 -4.719 -5.394 -10.132 1.00 3.27 H new ATOM 0 HZ2 LYS A 35 -4.680 -7.072 -9.878 1.00 3.27 H new ATOM 0 HZ3 LYS A 35 -6.064 -6.183 -9.459 1.00 3.27 H new ATOM 575 N GLU A 36 -2.778 -8.358 -2.769 1.00 1.26 N ATOM 576 CA GLU A 36 -3.411 -9.159 -1.720 1.00 1.39 C ATOM 577 C GLU A 36 -3.297 -8.464 -0.359 1.00 1.24 C ATOM 578 O GLU A 36 -4.288 -8.307 0.349 1.00 1.39 O ATOM 579 CB GLU A 36 -2.754 -10.550 -1.699 1.00 1.55 C ATOM 580 CG GLU A 36 -3.655 -11.631 -1.106 1.00 1.75 C ATOM 581 CD GLU A 36 -4.766 -12.001 -2.083 1.00 1.97 C ATOM 582 OE1 GLU A 36 -5.786 -11.280 -2.118 1.00 2.04 O ATOM 583 OE2 GLU A 36 -4.615 -13.006 -2.805 1.00 3.08 O ATOM 0 H GLU A 36 -1.996 -8.836 -3.217 1.00 1.26 H new ATOM 0 HA GLU A 36 -4.475 -9.269 -1.931 1.00 1.39 H new ATOM 0 HB2 GLU A 36 -2.481 -10.831 -2.716 1.00 1.55 H new ATOM 0 HB3 GLU A 36 -1.830 -10.500 -1.123 1.00 1.55 H new ATOM 0 HG2 GLU A 36 -3.063 -12.515 -0.869 1.00 1.75 H new ATOM 0 HG3 GLU A 36 -4.089 -11.277 -0.171 1.00 1.75 H new ATOM 590 N LEU A 37 -2.097 -7.951 -0.058 1.00 0.99 N ATOM 591 CA LEU A 37 -1.789 -7.134 1.109 1.00 0.87 C ATOM 592 C LEU A 37 -2.739 -5.942 1.220 1.00 0.79 C ATOM 593 O LEU A 37 -3.421 -5.776 2.229 1.00 0.83 O ATOM 594 CB LEU A 37 -0.293 -6.762 1.001 1.00 0.76 C ATOM 595 CG LEU A 37 0.277 -5.603 1.849 1.00 0.83 C ATOM 596 CD1 LEU A 37 -0.091 -5.605 3.333 1.00 1.14 C ATOM 597 CD2 LEU A 37 1.807 -5.620 1.699 1.00 1.40 C ATOM 0 H LEU A 37 -1.282 -8.105 -0.652 1.00 0.99 H new ATOM 0 HA LEU A 37 -1.947 -7.673 2.043 1.00 0.87 H new ATOM 0 HB2 LEU A 37 0.282 -7.655 1.245 1.00 0.76 H new ATOM 0 HB3 LEU A 37 -0.091 -6.529 -0.044 1.00 0.76 H new ATOM 0 HG LEU A 37 -0.183 -4.694 1.462 1.00 0.83 H new ATOM 0 HD11 LEU A 37 0.366 -4.745 3.822 1.00 1.14 H new ATOM 0 HD12 LEU A 37 -1.174 -5.549 3.439 1.00 1.14 H new ATOM 0 HD13 LEU A 37 0.272 -6.522 3.797 1.00 1.14 H new ATOM 0 HD21 LEU A 37 2.239 -4.811 2.288 1.00 1.40 H new ATOM 0 HD22 LEU A 37 2.197 -6.575 2.053 1.00 1.40 H new ATOM 0 HD23 LEU A 37 2.071 -5.487 0.650 1.00 1.40 H new ATOM 609 N ILE A 38 -2.849 -5.141 0.163 1.00 0.74 N ATOM 610 CA ILE A 38 -3.732 -3.967 0.159 1.00 0.78 C ATOM 611 C ILE A 38 -5.222 -4.351 0.191 1.00 0.91 C ATOM 612 O ILE A 38 -6.004 -3.659 0.831 1.00 1.12 O ATOM 613 CB ILE A 38 -3.336 -3.032 -1.006 1.00 0.78 C ATOM 614 CG1 ILE A 38 -1.900 -2.501 -0.759 1.00 0.80 C ATOM 615 CG2 ILE A 38 -4.327 -1.858 -1.149 1.00 0.91 C ATOM 616 CD1 ILE A 38 -1.319 -1.708 -1.934 1.00 0.86 C ATOM 0 H ILE A 38 -2.337 -5.281 -0.708 1.00 0.74 H new ATOM 0 HA ILE A 38 -3.592 -3.406 1.083 1.00 0.78 H new ATOM 0 HB ILE A 38 -3.367 -3.598 -1.937 1.00 0.78 H new ATOM 0 HG12 ILE A 38 -1.906 -1.866 0.127 1.00 0.80 H new ATOM 0 HG13 ILE A 38 -1.244 -3.344 -0.543 1.00 0.80 H new ATOM 0 HG21 ILE A 38 -4.019 -1.220 -1.977 1.00 0.91 H new ATOM 0 HG22 ILE A 38 -5.326 -2.247 -1.343 1.00 0.91 H new ATOM 0 HG23 ILE A 38 -4.337 -1.276 -0.227 1.00 0.91 H new ATOM 0 HD11 ILE A 38 -0.313 -1.371 -1.684 1.00 0.86 H new ATOM 0 HD12 ILE A 38 -1.279 -2.344 -2.818 1.00 0.86 H new ATOM 0 HD13 ILE A 38 -1.951 -0.844 -2.137 1.00 0.86 H new ATOM 628 N LYS A 39 -5.655 -5.457 -0.422 1.00 0.91 N ATOM 629 CA LYS A 39 -7.047 -5.918 -0.318 1.00 1.02 C ATOM 630 C LYS A 39 -7.440 -6.623 0.994 1.00 0.97 C ATOM 631 O LYS A 39 -8.638 -6.790 1.224 1.00 1.09 O ATOM 632 CB LYS A 39 -7.405 -6.778 -1.545 1.00 1.32 C ATOM 633 CG LYS A 39 -8.234 -5.981 -2.561 1.00 1.57 C ATOM 634 CD LYS A 39 -9.669 -5.719 -2.061 1.00 2.42 C ATOM 635 CE LYS A 39 -10.385 -4.804 -3.055 1.00 2.31 C ATOM 636 NZ LYS A 39 -11.804 -4.598 -2.683 1.00 3.13 N ATOM 0 H LYS A 39 -5.061 -6.053 -0.998 1.00 0.91 H new ATOM 0 HA LYS A 39 -7.644 -5.006 -0.298 1.00 1.02 H new ATOM 0 HB2 LYS A 39 -6.492 -7.137 -2.019 1.00 1.32 H new ATOM 0 HB3 LYS A 39 -7.965 -7.657 -1.225 1.00 1.32 H new ATOM 0 HG2 LYS A 39 -7.742 -5.030 -2.763 1.00 1.57 H new ATOM 0 HG3 LYS A 39 -8.273 -6.526 -3.504 1.00 1.57 H new ATOM 0 HD2 LYS A 39 -10.210 -6.660 -1.959 1.00 2.42 H new ATOM 0 HD3 LYS A 39 -9.645 -5.257 -1.074 1.00 2.42 H new ATOM 0 HE2 LYS A 39 -9.876 -3.841 -3.096 1.00 2.31 H new ATOM 0 HE3 LYS A 39 -10.329 -5.237 -4.054 1.00 2.31 H new ATOM 0 HZ1 LYS A 39 -12.258 -3.973 -3.379 1.00 3.13 H new ATOM 0 HZ2 LYS A 39 -12.296 -5.514 -2.668 1.00 3.13 H new ATOM 0 HZ3 LYS A 39 -11.856 -4.162 -1.740 1.00 3.13 H new ATOM 650 N LYS A 40 -6.492 -7.072 1.826 1.00 0.95 N ATOM 651 CA LYS A 40 -6.774 -7.687 3.131 1.00 1.09 C ATOM 652 C LYS A 40 -6.447 -6.786 4.334 1.00 1.12 C ATOM 653 O LYS A 40 -7.243 -6.753 5.269 1.00 1.38 O ATOM 654 CB LYS A 40 -5.985 -9.003 3.246 1.00 1.24 C ATOM 655 CG LYS A 40 -6.692 -10.242 2.694 1.00 1.79 C ATOM 656 CD LYS A 40 -7.027 -10.213 1.200 1.00 1.21 C ATOM 657 CE LYS A 40 -7.517 -11.608 0.818 1.00 1.75 C ATOM 658 NZ LYS A 40 -7.930 -11.679 -0.599 1.00 2.13 N ATOM 0 H LYS A 40 -5.496 -7.018 1.611 1.00 0.95 H new ATOM 0 HA LYS A 40 -7.849 -7.862 3.167 1.00 1.09 H new ATOM 0 HB2 LYS A 40 -5.036 -8.884 2.724 1.00 1.24 H new ATOM 0 HB3 LYS A 40 -5.752 -9.176 4.297 1.00 1.24 H new ATOM 0 HG2 LYS A 40 -6.064 -11.111 2.889 1.00 1.79 H new ATOM 0 HG3 LYS A 40 -7.618 -10.386 3.251 1.00 1.79 H new ATOM 0 HD2 LYS A 40 -7.793 -9.466 0.992 1.00 1.21 H new ATOM 0 HD3 LYS A 40 -6.149 -9.940 0.614 1.00 1.21 H new ATOM 0 HE2 LYS A 40 -6.725 -12.334 1.002 1.00 1.75 H new ATOM 0 HE3 LYS A 40 -8.357 -11.885 1.455 1.00 1.75 H new ATOM 0 HZ1 LYS A 40 -8.045 -12.674 -0.878 1.00 2.13 H new ATOM 0 HZ2 LYS A 40 -8.833 -11.179 -0.723 1.00 2.13 H new ATOM 0 HZ3 LYS A 40 -7.203 -11.234 -1.195 1.00 2.13 H new ATOM 672 N GLU A 41 -5.302 -6.095 4.351 1.00 1.01 N ATOM 673 CA GLU A 41 -4.927 -5.251 5.497 1.00 1.13 C ATOM 674 C GLU A 41 -5.502 -3.821 5.382 1.00 1.18 C ATOM 675 O GLU A 41 -5.545 -3.101 6.387 1.00 1.57 O ATOM 676 CB GLU A 41 -3.402 -5.206 5.712 1.00 1.30 C ATOM 677 CG GLU A 41 -2.587 -6.486 5.467 1.00 1.86 C ATOM 678 CD GLU A 41 -2.995 -7.748 6.222 1.00 3.21 C ATOM 679 OE1 GLU A 41 -2.542 -7.977 7.367 1.00 4.05 O ATOM 680 OE2 GLU A 41 -3.585 -8.639 5.567 1.00 4.36 O ATOM 0 H GLU A 41 -4.621 -6.101 3.591 1.00 1.01 H new ATOM 0 HA GLU A 41 -5.373 -5.719 6.374 1.00 1.13 H new ATOM 0 HB2 GLU A 41 -2.999 -4.428 5.064 1.00 1.30 H new ATOM 0 HB3 GLU A 41 -3.222 -4.890 6.740 1.00 1.30 H new ATOM 0 HG2 GLU A 41 -2.625 -6.707 4.400 1.00 1.86 H new ATOM 0 HG3 GLU A 41 -1.547 -6.272 5.711 1.00 1.86 H new ATOM 687 N LEU A 42 -5.949 -3.404 4.185 1.00 1.02 N ATOM 688 CA LEU A 42 -6.813 -2.257 3.921 1.00 1.00 C ATOM 689 C LEU A 42 -8.198 -2.726 3.428 1.00 1.05 C ATOM 690 O LEU A 42 -8.464 -3.914 3.271 1.00 1.73 O ATOM 691 CB LEU A 42 -6.109 -1.405 2.837 1.00 1.09 C ATOM 692 CG LEU A 42 -5.879 0.076 3.143 1.00 1.30 C ATOM 693 CD1 LEU A 42 -7.171 0.870 3.367 1.00 2.14 C ATOM 694 CD2 LEU A 42 -4.924 0.278 4.314 1.00 2.48 C ATOM 0 H LEU A 42 -5.697 -3.895 3.327 1.00 1.02 H new ATOM 0 HA LEU A 42 -6.974 -1.674 4.828 1.00 1.00 H new ATOM 0 HB2 LEU A 42 -5.141 -1.860 2.628 1.00 1.09 H new ATOM 0 HB3 LEU A 42 -6.697 -1.472 1.922 1.00 1.09 H new ATOM 0 HG LEU A 42 -5.416 0.477 2.241 1.00 1.30 H new ATOM 0 HD11 LEU A 42 -6.926 1.911 3.579 1.00 2.14 H new ATOM 0 HD12 LEU A 42 -7.790 0.818 2.471 1.00 2.14 H new ATOM 0 HD13 LEU A 42 -7.716 0.447 4.211 1.00 2.14 H new ATOM 0 HD21 LEU A 42 -4.791 1.345 4.495 1.00 2.48 H new ATOM 0 HD22 LEU A 42 -5.338 -0.192 5.206 1.00 2.48 H new ATOM 0 HD23 LEU A 42 -3.960 -0.174 4.079 1.00 2.48 H new ATOM 706 N CYS A 43 -9.071 -1.763 3.132 1.00 1.37 N ATOM 707 CA CYS A 43 -10.342 -1.910 2.423 1.00 1.57 C ATOM 708 C CYS A 43 -10.677 -0.555 1.775 1.00 2.00 C ATOM 709 O CYS A 43 -10.493 0.482 2.420 1.00 3.10 O ATOM 710 CB CYS A 43 -11.386 -2.456 3.411 1.00 1.83 C ATOM 711 SG CYS A 43 -13.078 -2.154 2.837 1.00 2.64 S ATOM 0 H CYS A 43 -8.897 -0.794 3.399 1.00 1.37 H new ATOM 0 HA CYS A 43 -10.310 -2.633 1.608 1.00 1.57 H new ATOM 0 HB2 CYS A 43 -11.234 -3.527 3.546 1.00 1.83 H new ATOM 0 HB3 CYS A 43 -11.244 -1.989 4.385 1.00 1.83 H new ATOM 0 HG CYS A 43 -13.922 -2.634 3.702 1.00 2.64 H new ATOM 774 N LYS A 48 -14.700 5.316 -0.966 1.00 2.51 N ATOM 775 CA LYS A 48 -14.055 6.405 -1.678 1.00 2.81 C ATOM 776 C LYS A 48 -13.932 6.179 -3.211 1.00 2.91 C ATOM 777 O LYS A 48 -14.640 5.347 -3.785 1.00 3.40 O ATOM 778 CB LYS A 48 -12.769 6.756 -0.918 1.00 3.24 C ATOM 779 CG LYS A 48 -12.961 7.270 0.526 1.00 4.33 C ATOM 780 CD LYS A 48 -13.453 8.729 0.591 1.00 4.89 C ATOM 781 CE LYS A 48 -12.323 9.685 0.181 1.00 5.43 C ATOM 782 NZ LYS A 48 -12.813 10.921 -0.464 1.00 6.18 N ATOM 0 HA LYS A 48 -14.686 7.294 -1.677 1.00 2.81 H new ATOM 0 HB2 LYS A 48 -12.134 5.870 -0.887 1.00 3.24 H new ATOM 0 HB3 LYS A 48 -12.230 7.515 -1.485 1.00 3.24 H new ATOM 0 HG2 LYS A 48 -13.677 6.629 1.041 1.00 4.33 H new ATOM 0 HG3 LYS A 48 -12.016 7.188 1.063 1.00 4.33 H new ATOM 0 HD2 LYS A 48 -14.310 8.862 -0.069 1.00 4.89 H new ATOM 0 HD3 LYS A 48 -13.790 8.963 1.601 1.00 4.89 H new ATOM 0 HE2 LYS A 48 -11.741 9.949 1.064 1.00 5.43 H new ATOM 0 HE3 LYS A 48 -11.649 9.169 -0.502 1.00 5.43 H new ATOM 0 HZ1 LYS A 48 -12.449 10.973 -1.437 1.00 6.18 H new ATOM 0 HZ2 LYS A 48 -13.853 10.914 -0.483 1.00 6.18 H new ATOM 0 HZ3 LYS A 48 -12.482 11.748 0.074 1.00 6.18 H new ATOM 796 N GLU A 49 -13.145 7.021 -3.883 1.00 3.40 N ATOM 797 CA GLU A 49 -13.233 7.263 -5.325 1.00 4.05 C ATOM 798 C GLU A 49 -12.395 6.289 -6.178 1.00 3.14 C ATOM 799 O GLU A 49 -11.551 5.549 -5.681 1.00 3.44 O ATOM 800 CB GLU A 49 -12.867 8.731 -5.623 1.00 5.60 C ATOM 801 CG GLU A 49 -13.803 9.759 -4.953 1.00 6.40 C ATOM 802 CD GLU A 49 -13.489 9.968 -3.471 1.00 7.36 C ATOM 803 OE1 GLU A 49 -12.430 10.541 -3.164 1.00 8.31 O ATOM 804 OE2 GLU A 49 -14.255 9.499 -2.602 1.00 7.74 O ATOM 0 H GLU A 49 -12.412 7.566 -3.430 1.00 3.40 H new ATOM 0 HA GLU A 49 -14.266 7.072 -5.617 1.00 4.05 H new ATOM 0 HB2 GLU A 49 -11.845 8.915 -5.291 1.00 5.60 H new ATOM 0 HB3 GLU A 49 -12.885 8.888 -6.702 1.00 5.60 H new ATOM 0 HG2 GLU A 49 -13.721 10.712 -5.475 1.00 6.40 H new ATOM 0 HG3 GLU A 49 -14.836 9.426 -5.058 1.00 6.40 H new ATOM 811 N SER A 50 -12.592 6.307 -7.494 1.00 2.60 N ATOM 812 CA SER A 50 -11.986 5.374 -8.457 1.00 2.12 C ATOM 813 C SER A 50 -10.467 5.534 -8.681 1.00 1.72 C ATOM 814 O SER A 50 -9.905 4.888 -9.556 1.00 2.26 O ATOM 815 CB SER A 50 -12.742 5.492 -9.786 1.00 2.18 C ATOM 816 OG SER A 50 -12.698 6.827 -10.266 1.00 3.01 O ATOM 0 H SER A 50 -13.199 6.994 -7.941 1.00 2.60 H new ATOM 0 HA SER A 50 -12.083 4.380 -8.021 1.00 2.12 H new ATOM 0 HB2 SER A 50 -12.302 4.820 -10.523 1.00 2.18 H new ATOM 0 HB3 SER A 50 -13.778 5.182 -9.651 1.00 2.18 H new ATOM 0 HG SER A 50 -13.183 6.885 -11.115 1.00 3.01 H new ATOM 822 N SER A 51 -9.767 6.354 -7.902 1.00 2.42 N ATOM 823 CA SER A 51 -8.296 6.343 -7.808 1.00 2.33 C ATOM 824 C SER A 51 -7.752 5.016 -7.246 1.00 2.09 C ATOM 825 O SER A 51 -6.566 4.718 -7.385 1.00 2.31 O ATOM 826 CB SER A 51 -7.814 7.544 -6.972 1.00 2.77 C ATOM 827 OG SER A 51 -8.768 7.953 -6.003 1.00 3.93 O ATOM 0 H SER A 51 -10.204 7.058 -7.307 1.00 2.42 H new ATOM 0 HA SER A 51 -7.898 6.432 -8.819 1.00 2.33 H new ATOM 0 HB2 SER A 51 -6.882 7.283 -6.471 1.00 2.77 H new ATOM 0 HB3 SER A 51 -7.595 8.380 -7.636 1.00 2.77 H new ATOM 0 HG SER A 51 -9.038 8.878 -6.180 1.00 3.93 H new ATOM 833 N ILE A 52 -8.631 4.179 -6.680 1.00 1.88 N ATOM 834 CA ILE A 52 -8.370 2.759 -6.377 1.00 1.91 C ATOM 835 C ILE A 52 -8.255 1.858 -7.611 1.00 1.57 C ATOM 836 O ILE A 52 -7.761 0.740 -7.465 1.00 1.99 O ATOM 837 CB ILE A 52 -9.411 2.200 -5.378 1.00 2.27 C ATOM 838 CG1 ILE A 52 -10.874 2.150 -5.889 1.00 2.69 C ATOM 839 CG2 ILE A 52 -9.325 3.002 -4.072 1.00 2.54 C ATOM 840 CD1 ILE A 52 -11.203 0.916 -6.743 1.00 3.13 C ATOM 0 H ILE A 52 -9.569 4.475 -6.412 1.00 1.88 H new ATOM 0 HA ILE A 52 -7.384 2.742 -5.912 1.00 1.91 H new ATOM 0 HB ILE A 52 -9.147 1.154 -5.225 1.00 2.27 H new ATOM 0 HG12 ILE A 52 -11.547 2.174 -5.032 1.00 2.69 H new ATOM 0 HG13 ILE A 52 -11.073 3.047 -6.476 1.00 2.69 H new ATOM 0 HG21 ILE A 52 -10.055 2.617 -3.360 1.00 2.54 H new ATOM 0 HG22 ILE A 52 -8.323 2.908 -3.652 1.00 2.54 H new ATOM 0 HG23 ILE A 52 -9.536 4.052 -4.275 1.00 2.54 H new ATOM 0 HD11 ILE A 52 -12.245 0.960 -7.059 1.00 3.13 H new ATOM 0 HD12 ILE A 52 -10.558 0.899 -7.621 1.00 3.13 H new ATOM 0 HD13 ILE A 52 -11.040 0.013 -6.155 1.00 3.13 H new ATOM 852 N ASP A 53 -8.712 2.287 -8.793 1.00 1.19 N ATOM 853 CA ASP A 53 -8.604 1.492 -10.021 1.00 1.20 C ATOM 854 C ASP A 53 -7.203 1.605 -10.609 1.00 1.14 C ATOM 855 O ASP A 53 -6.507 0.597 -10.720 1.00 1.29 O ATOM 856 CB ASP A 53 -9.652 1.936 -11.063 1.00 1.84 C ATOM 857 CG ASP A 53 -9.406 1.288 -12.434 1.00 3.03 C ATOM 858 OD1 ASP A 53 -9.499 0.049 -12.535 1.00 3.16 O ATOM 859 OD2 ASP A 53 -9.076 2.028 -13.391 1.00 4.41 O ATOM 0 H ASP A 53 -9.165 3.191 -8.925 1.00 1.19 H new ATOM 0 HA ASP A 53 -8.796 0.451 -9.763 1.00 1.20 H new ATOM 0 HB2 ASP A 53 -10.649 1.672 -10.710 1.00 1.84 H new ATOM 0 HB3 ASP A 53 -9.626 3.021 -11.164 1.00 1.84 H new ATOM 864 N ASP A 54 -6.783 2.827 -10.965 1.00 1.26 N ATOM 865 CA ASP A 54 -5.642 3.040 -11.865 1.00 1.34 C ATOM 866 C ASP A 54 -4.316 2.493 -11.320 1.00 1.09 C ATOM 867 O ASP A 54 -3.430 2.127 -12.091 1.00 1.22 O ATOM 868 CB ASP A 54 -5.533 4.509 -12.298 1.00 1.70 C ATOM 869 CG ASP A 54 -4.866 4.607 -13.678 1.00 1.90 C ATOM 870 OD1 ASP A 54 -5.498 4.110 -14.644 1.00 2.53 O ATOM 871 OD2 ASP A 54 -3.743 5.147 -13.770 1.00 2.53 O ATOM 0 H ASP A 54 -7.221 3.689 -10.640 1.00 1.26 H new ATOM 0 HA ASP A 54 -5.848 2.448 -12.757 1.00 1.34 H new ATOM 0 HB2 ASP A 54 -6.525 4.960 -12.332 1.00 1.70 H new ATOM 0 HB3 ASP A 54 -4.953 5.070 -11.565 1.00 1.70 H new ATOM 876 N LEU A 55 -4.202 2.332 -9.998 1.00 0.98 N ATOM 877 CA LEU A 55 -3.067 1.645 -9.381 1.00 0.98 C ATOM 878 C LEU A 55 -3.214 0.110 -9.411 1.00 0.96 C ATOM 879 O LEU A 55 -2.269 -0.583 -9.797 1.00 1.09 O ATOM 880 CB LEU A 55 -2.852 2.184 -7.959 1.00 1.09 C ATOM 881 CG LEU A 55 -2.773 3.716 -7.799 1.00 1.30 C ATOM 882 CD1 LEU A 55 -2.338 4.028 -6.361 1.00 1.71 C ATOM 883 CD2 LEU A 55 -1.792 4.373 -8.782 1.00 1.24 C ATOM 0 H LEU A 55 -4.892 2.673 -9.329 1.00 0.98 H new ATOM 0 HA LEU A 55 -2.176 1.858 -9.972 1.00 0.98 H new ATOM 0 HB2 LEU A 55 -3.665 1.819 -7.331 1.00 1.09 H new ATOM 0 HB3 LEU A 55 -1.930 1.754 -7.569 1.00 1.09 H new ATOM 0 HG LEU A 55 -3.759 4.126 -8.018 1.00 1.30 H new ATOM 0 HD11 LEU A 55 -2.276 5.108 -6.226 1.00 1.71 H new ATOM 0 HD12 LEU A 55 -3.067 3.616 -5.663 1.00 1.71 H new ATOM 0 HD13 LEU A 55 -1.362 3.582 -6.171 1.00 1.71 H new ATOM 0 HD21 LEU A 55 -1.781 5.451 -8.620 1.00 1.24 H new ATOM 0 HD22 LEU A 55 -0.792 3.972 -8.620 1.00 1.24 H new ATOM 0 HD23 LEU A 55 -2.106 4.163 -9.804 1.00 1.24 H new ATOM 895 N MET A 56 -4.380 -0.452 -9.072 1.00 0.93 N ATOM 896 CA MET A 56 -4.660 -1.904 -9.049 1.00 1.07 C ATOM 897 C MET A 56 -4.538 -2.556 -10.437 1.00 1.22 C ATOM 898 O MET A 56 -3.932 -3.624 -10.582 1.00 1.41 O ATOM 899 CB MET A 56 -6.078 -2.123 -8.493 1.00 1.13 C ATOM 900 CG MET A 56 -6.183 -1.865 -6.989 1.00 1.15 C ATOM 901 SD MET A 56 -5.279 -3.041 -5.946 1.00 1.52 S ATOM 902 CE MET A 56 -4.258 -1.858 -5.052 1.00 1.80 C ATOM 0 H MET A 56 -5.188 0.106 -8.795 1.00 0.93 H new ATOM 0 HA MET A 56 -3.913 -2.379 -8.413 1.00 1.07 H new ATOM 0 HB2 MET A 56 -6.772 -1.466 -9.017 1.00 1.13 H new ATOM 0 HB3 MET A 56 -6.389 -3.147 -8.702 1.00 1.13 H new ATOM 0 HG2 MET A 56 -5.815 -0.860 -6.781 1.00 1.15 H new ATOM 0 HG3 MET A 56 -7.235 -1.884 -6.705 1.00 1.15 H new ATOM 0 HE1 MET A 56 -3.445 -2.384 -4.552 1.00 1.80 H new ATOM 0 HE2 MET A 56 -3.845 -1.132 -5.752 1.00 1.80 H new ATOM 0 HE3 MET A 56 -4.866 -1.341 -4.310 1.00 1.80 H new ATOM 912 N LYS A 57 -5.070 -1.889 -11.459 1.00 1.23 N ATOM 913 CA LYS A 57 -4.915 -2.180 -12.896 1.00 1.39 C ATOM 914 C LYS A 57 -3.486 -1.908 -13.425 1.00 1.40 C ATOM 915 O LYS A 57 -3.130 -2.338 -14.519 1.00 1.66 O ATOM 916 CB LYS A 57 -6.041 -1.440 -13.617 1.00 1.63 C ATOM 917 CG LYS A 57 -5.812 0.069 -13.602 1.00 2.84 C ATOM 918 CD LYS A 57 -5.298 0.565 -14.948 1.00 3.76 C ATOM 919 CE LYS A 57 -6.493 0.890 -15.846 1.00 4.71 C ATOM 920 NZ LYS A 57 -7.223 2.098 -15.363 1.00 6.32 N ATOM 0 H LYS A 57 -5.663 -1.074 -11.302 1.00 1.23 H new ATOM 0 HA LYS A 57 -5.016 -3.247 -13.096 1.00 1.39 H new ATOM 0 HB2 LYS A 57 -6.107 -1.790 -14.647 1.00 1.63 H new ATOM 0 HB3 LYS A 57 -6.994 -1.670 -13.140 1.00 1.63 H new ATOM 0 HG2 LYS A 57 -6.744 0.578 -13.356 1.00 2.84 H new ATOM 0 HG3 LYS A 57 -5.095 0.322 -12.821 1.00 2.84 H new ATOM 0 HD2 LYS A 57 -4.677 1.451 -14.811 1.00 3.76 H new ATOM 0 HD3 LYS A 57 -4.671 -0.195 -15.415 1.00 3.76 H new ATOM 0 HE2 LYS A 57 -6.149 1.055 -16.867 1.00 4.71 H new ATOM 0 HE3 LYS A 57 -7.173 0.038 -15.872 1.00 4.71 H new ATOM 0 HZ1 LYS A 57 -7.726 2.541 -16.158 1.00 6.32 H new ATOM 0 HZ2 LYS A 57 -7.908 1.820 -14.632 1.00 6.32 H new ATOM 0 HZ3 LYS A 57 -6.544 2.776 -14.962 1.00 6.32 H new ATOM 934 N SER A 58 -2.628 -1.267 -12.630 1.00 1.33 N ATOM 935 CA SER A 58 -1.184 -1.149 -12.875 1.00 1.47 C ATOM 936 C SER A 58 -0.347 -2.210 -12.115 1.00 1.61 C ATOM 937 O SER A 58 0.868 -2.293 -12.305 1.00 1.68 O ATOM 938 CB SER A 58 -0.741 0.289 -12.565 1.00 1.40 C ATOM 939 OG SER A 58 0.428 0.660 -13.270 1.00 1.77 O ATOM 0 H SER A 58 -2.924 -0.801 -11.772 1.00 1.33 H new ATOM 0 HA SER A 58 -0.995 -1.359 -13.928 1.00 1.47 H new ATOM 0 HB2 SER A 58 -1.548 0.977 -12.818 1.00 1.40 H new ATOM 0 HB3 SER A 58 -0.562 0.388 -11.494 1.00 1.40 H new ATOM 0 HG SER A 58 0.669 1.582 -13.041 1.00 1.77 H new ATOM 945 N LEU A 59 -0.959 -3.065 -11.276 1.00 1.78 N ATOM 946 CA LEU A 59 -0.285 -4.222 -10.660 1.00 1.86 C ATOM 947 C LEU A 59 -0.424 -5.439 -11.581 1.00 1.86 C ATOM 948 O LEU A 59 0.558 -6.098 -11.935 1.00 1.89 O ATOM 949 CB LEU A 59 -0.846 -4.483 -9.246 1.00 1.92 C ATOM 950 CG LEU A 59 -0.572 -3.351 -8.224 1.00 1.90 C ATOM 951 CD1 LEU A 59 -1.222 -3.700 -6.882 1.00 2.03 C ATOM 952 CD2 LEU A 59 0.928 -3.099 -7.993 1.00 2.12 C ATOM 0 H LEU A 59 -1.938 -2.973 -11.005 1.00 1.78 H new ATOM 0 HA LEU A 59 0.778 -4.014 -10.540 1.00 1.86 H new ATOM 0 HB2 LEU A 59 -1.923 -4.636 -9.319 1.00 1.92 H new ATOM 0 HB3 LEU A 59 -0.418 -5.410 -8.865 1.00 1.92 H new ATOM 0 HG LEU A 59 -1.000 -2.441 -8.644 1.00 1.90 H new ATOM 0 HD11 LEU A 59 -1.028 -2.902 -6.165 1.00 2.03 H new ATOM 0 HD12 LEU A 59 -2.298 -3.812 -7.017 1.00 2.03 H new ATOM 0 HD13 LEU A 59 -0.804 -4.634 -6.507 1.00 2.03 H new ATOM 0 HD21 LEU A 59 1.054 -2.295 -7.268 1.00 2.12 H new ATOM 0 HD22 LEU A 59 1.395 -4.008 -7.613 1.00 2.12 H new ATOM 0 HD23 LEU A 59 1.398 -2.815 -8.934 1.00 2.12 H new ATOM 964 N ASP A 60 -1.631 -5.628 -12.095 1.00 1.81 N ATOM 965 CA ASP A 60 -1.979 -6.571 -13.156 1.00 1.79 C ATOM 966 C ASP A 60 -1.272 -6.308 -14.499 1.00 1.64 C ATOM 967 O ASP A 60 -1.362 -7.106 -15.424 1.00 1.89 O ATOM 968 CB ASP A 60 -3.503 -6.547 -13.283 1.00 1.89 C ATOM 969 CG ASP A 60 -4.188 -7.281 -12.120 1.00 2.22 C ATOM 970 OD1 ASP A 60 -3.502 -7.815 -11.218 1.00 2.83 O ATOM 971 OD2 ASP A 60 -5.425 -7.135 -11.993 1.00 3.18 O ATOM 0 H ASP A 60 -2.440 -5.100 -11.767 1.00 1.81 H new ATOM 0 HA ASP A 60 -1.622 -7.564 -12.883 1.00 1.79 H new ATOM 0 HB2 ASP A 60 -3.848 -5.514 -13.313 1.00 1.89 H new ATOM 0 HB3 ASP A 60 -3.796 -7.009 -14.226 1.00 1.89 H new ATOM 976 N LYS A 61 -0.476 -5.240 -14.589 1.00 1.45 N ATOM 977 CA LYS A 61 0.516 -5.057 -15.635 1.00 1.48 C ATOM 978 C LYS A 61 1.511 -6.229 -15.743 1.00 1.73 C ATOM 979 O LYS A 61 2.048 -6.429 -16.828 1.00 1.75 O ATOM 980 CB LYS A 61 1.229 -3.715 -15.351 1.00 1.71 C ATOM 981 CG LYS A 61 2.331 -3.331 -16.355 1.00 2.48 C ATOM 982 CD LYS A 61 1.815 -3.188 -17.791 1.00 2.86 C ATOM 983 CE LYS A 61 1.062 -1.872 -18.033 1.00 2.92 C ATOM 984 NZ LYS A 61 1.982 -0.705 -18.089 1.00 3.90 N ATOM 0 H LYS A 61 -0.508 -4.469 -13.923 1.00 1.45 H new ATOM 0 HA LYS A 61 0.022 -5.036 -16.606 1.00 1.48 H new ATOM 0 HB2 LYS A 61 0.482 -2.922 -15.335 1.00 1.71 H new ATOM 0 HB3 LYS A 61 1.668 -3.759 -14.354 1.00 1.71 H new ATOM 0 HG2 LYS A 61 2.786 -2.391 -16.044 1.00 2.48 H new ATOM 0 HG3 LYS A 61 3.115 -4.088 -16.331 1.00 2.48 H new ATOM 0 HD2 LYS A 61 2.657 -3.250 -18.481 1.00 2.86 H new ATOM 0 HD3 LYS A 61 1.154 -4.025 -18.018 1.00 2.86 H new ATOM 0 HE2 LYS A 61 0.505 -1.940 -18.968 1.00 2.92 H new ATOM 0 HE3 LYS A 61 0.332 -1.720 -17.238 1.00 2.92 H new ATOM 0 HZ1 LYS A 61 1.444 0.150 -18.338 1.00 3.90 H new ATOM 0 HZ2 LYS A 61 2.432 -0.573 -17.161 1.00 3.90 H new ATOM 0 HZ3 LYS A 61 2.714 -0.874 -18.808 1.00 3.90 H new ATOM 998 N ASN A 62 1.772 -6.973 -14.654 1.00 2.16 N ATOM 999 CA ASN A 62 2.691 -8.121 -14.678 1.00 2.57 C ATOM 1000 C ASN A 62 2.401 -9.228 -13.650 1.00 2.74 C ATOM 1001 O ASN A 62 2.650 -10.376 -13.977 1.00 3.54 O ATOM 1002 CB ASN A 62 4.145 -7.640 -14.485 1.00 2.84 C ATOM 1003 CG ASN A 62 4.760 -7.064 -15.750 1.00 2.99 C ATOM 1004 OD1 ASN A 62 5.155 -5.907 -15.807 1.00 2.84 O ATOM 1005 ND2 ASN A 62 4.886 -7.875 -16.785 1.00 3.94 N ATOM 0 H ASN A 62 1.355 -6.796 -13.740 1.00 2.16 H new ATOM 0 HA ASN A 62 2.535 -8.572 -15.658 1.00 2.57 H new ATOM 0 HB2 ASN A 62 4.169 -6.884 -13.700 1.00 2.84 H new ATOM 0 HB3 ASN A 62 4.754 -8.476 -14.141 1.00 2.84 H new ATOM 0 HD21 ASN A 62 5.317 -7.539 -17.646 1.00 3.94 H new ATOM 0 HD22 ASN A 62 4.552 -8.837 -16.723 1.00 3.94 H new ATOM 1012 N SER A 63 1.952 -8.900 -12.430 1.00 2.33 N ATOM 1013 CA SER A 63 1.731 -9.833 -11.295 1.00 2.27 C ATOM 1014 C SER A 63 3.011 -10.502 -10.735 1.00 1.89 C ATOM 1015 O SER A 63 3.304 -10.377 -9.544 1.00 1.69 O ATOM 1016 CB SER A 63 0.605 -10.846 -11.609 1.00 2.61 C ATOM 1017 OG SER A 63 0.819 -12.160 -11.124 1.00 3.75 O ATOM 0 H SER A 63 1.720 -7.937 -12.188 1.00 2.33 H new ATOM 0 HA SER A 63 1.394 -9.207 -10.469 1.00 2.27 H new ATOM 0 HB2 SER A 63 -0.328 -10.469 -11.189 1.00 2.61 H new ATOM 0 HB3 SER A 63 0.472 -10.893 -12.690 1.00 2.61 H new ATOM 0 HG SER A 63 1.299 -12.684 -11.799 1.00 3.75 H new ATOM 1023 N ASP A 64 3.799 -11.152 -11.585 1.00 1.96 N ATOM 1024 CA ASP A 64 4.835 -12.142 -11.270 1.00 1.80 C ATOM 1025 C ASP A 64 6.235 -11.517 -11.112 1.00 1.58 C ATOM 1026 O ASP A 64 7.266 -12.070 -11.485 1.00 1.63 O ATOM 1027 CB ASP A 64 4.769 -13.209 -12.374 1.00 1.99 C ATOM 1028 CG ASP A 64 3.413 -13.925 -12.354 1.00 2.89 C ATOM 1029 OD1 ASP A 64 2.404 -13.318 -12.788 1.00 3.25 O ATOM 1030 OD2 ASP A 64 3.381 -15.058 -11.835 1.00 4.11 O ATOM 0 H ASP A 64 3.728 -10.992 -12.590 1.00 1.96 H new ATOM 0 HA ASP A 64 4.648 -12.595 -10.296 1.00 1.80 H new ATOM 0 HB2 ASP A 64 4.926 -12.743 -13.347 1.00 1.99 H new ATOM 0 HB3 ASP A 64 5.571 -13.934 -12.235 1.00 1.99 H new ATOM 1035 N GLN A 65 6.261 -10.294 -10.600 1.00 1.68 N ATOM 1036 CA GLN A 65 7.391 -9.381 -10.586 1.00 1.47 C ATOM 1037 C GLN A 65 7.659 -8.979 -9.142 1.00 1.17 C ATOM 1038 O GLN A 65 6.680 -8.722 -8.449 1.00 1.13 O ATOM 1039 CB GLN A 65 6.888 -8.142 -11.330 1.00 1.96 C ATOM 1040 CG GLN A 65 7.964 -7.264 -11.953 1.00 1.65 C ATOM 1041 CD GLN A 65 7.299 -6.253 -12.893 1.00 2.20 C ATOM 1042 OE1 GLN A 65 6.441 -5.473 -12.497 1.00 3.06 O ATOM 1043 NE2 GLN A 65 7.586 -6.286 -14.178 1.00 2.85 N ATOM 0 H GLN A 65 5.438 -9.889 -10.155 1.00 1.68 H new ATOM 0 HA GLN A 65 8.291 -9.812 -11.024 1.00 1.47 H new ATOM 0 HB2 GLN A 65 6.208 -8.465 -12.118 1.00 1.96 H new ATOM 0 HB3 GLN A 65 6.307 -7.535 -10.636 1.00 1.96 H new ATOM 0 HG2 GLN A 65 8.523 -6.744 -11.175 1.00 1.65 H new ATOM 0 HG3 GLN A 65 8.678 -7.877 -12.503 1.00 1.65 H new ATOM 0 HE21 GLN A 65 8.298 -6.929 -14.525 1.00 2.85 H new ATOM 0 HE22 GLN A 65 7.097 -5.668 -14.826 1.00 2.85 H new ATOM 1052 N GLU A 66 8.906 -8.837 -8.687 1.00 1.08 N ATOM 1053 CA GLU A 66 9.122 -8.371 -7.317 1.00 0.96 C ATOM 1054 C GLU A 66 9.087 -6.836 -7.188 1.00 0.92 C ATOM 1055 O GLU A 66 9.477 -6.109 -8.105 1.00 1.01 O ATOM 1056 CB GLU A 66 10.391 -8.965 -6.679 1.00 1.03 C ATOM 1057 CG GLU A 66 10.365 -10.499 -6.523 1.00 1.16 C ATOM 1058 CD GLU A 66 11.199 -10.952 -5.320 1.00 1.85 C ATOM 1059 OE1 GLU A 66 10.811 -10.550 -4.203 1.00 3.08 O ATOM 1060 OE2 GLU A 66 12.228 -11.647 -5.485 1.00 2.18 O ATOM 0 H GLU A 66 9.752 -9.030 -9.224 1.00 1.08 H new ATOM 0 HA GLU A 66 8.273 -8.750 -6.748 1.00 0.96 H new ATOM 0 HB2 GLU A 66 11.253 -8.688 -7.286 1.00 1.03 H new ATOM 0 HB3 GLU A 66 10.535 -8.514 -5.697 1.00 1.03 H new ATOM 0 HG2 GLU A 66 9.336 -10.837 -6.402 1.00 1.16 H new ATOM 0 HG3 GLU A 66 10.749 -10.965 -7.430 1.00 1.16 H new ATOM 1067 N ILE A 67 8.570 -6.378 -6.040 1.00 0.86 N ATOM 1068 CA ILE A 67 8.380 -4.981 -5.621 1.00 0.93 C ATOM 1069 C ILE A 67 8.755 -4.854 -4.135 1.00 1.02 C ATOM 1070 O ILE A 67 8.606 -5.810 -3.380 1.00 1.02 O ATOM 1071 CB ILE A 67 6.913 -4.539 -5.888 1.00 1.10 C ATOM 1072 CG1 ILE A 67 6.573 -4.674 -7.393 1.00 1.93 C ATOM 1073 CG2 ILE A 67 6.680 -3.092 -5.422 1.00 1.59 C ATOM 1074 CD1 ILE A 67 5.208 -4.117 -7.804 1.00 2.57 C ATOM 0 H ILE A 67 8.248 -7.027 -5.322 1.00 0.86 H new ATOM 0 HA ILE A 67 9.026 -4.320 -6.199 1.00 0.93 H new ATOM 0 HB ILE A 67 6.255 -5.194 -5.317 1.00 1.10 H new ATOM 0 HG12 ILE A 67 7.344 -4.165 -7.971 1.00 1.93 H new ATOM 0 HG13 ILE A 67 6.615 -5.729 -7.666 1.00 1.93 H new ATOM 0 HG21 ILE A 67 5.647 -2.808 -5.620 1.00 1.59 H new ATOM 0 HG22 ILE A 67 6.878 -3.018 -4.353 1.00 1.59 H new ATOM 0 HG23 ILE A 67 7.350 -2.423 -5.962 1.00 1.59 H new ATOM 0 HD11 ILE A 67 5.065 -4.259 -8.875 1.00 2.57 H new ATOM 0 HD12 ILE A 67 4.422 -4.641 -7.260 1.00 2.57 H new ATOM 0 HD13 ILE A 67 5.164 -3.053 -7.570 1.00 2.57 H new ATOM 1086 N ASP A 68 9.287 -3.703 -3.723 1.00 1.09 N ATOM 1087 CA ASP A 68 9.961 -3.490 -2.436 1.00 1.01 C ATOM 1088 C ASP A 68 9.188 -2.609 -1.430 1.00 0.90 C ATOM 1089 O ASP A 68 8.106 -2.081 -1.692 1.00 1.26 O ATOM 1090 CB ASP A 68 11.371 -2.918 -2.715 1.00 1.14 C ATOM 1091 CG ASP A 68 11.411 -1.384 -2.717 1.00 1.16 C ATOM 1092 OD1 ASP A 68 10.540 -0.757 -3.359 1.00 2.52 O ATOM 1093 OD2 ASP A 68 12.221 -0.821 -1.952 1.00 1.65 O ATOM 0 H ASP A 68 9.261 -2.860 -4.296 1.00 1.09 H new ATOM 0 HA ASP A 68 10.020 -4.460 -1.941 1.00 1.01 H new ATOM 0 HB2 ASP A 68 12.064 -3.292 -1.961 1.00 1.14 H new ATOM 0 HB3 ASP A 68 11.721 -3.285 -3.680 1.00 1.14 H new ATOM 1098 N PHE A 69 9.817 -2.390 -0.270 1.00 0.67 N ATOM 1099 CA PHE A 69 9.387 -1.479 0.789 1.00 0.76 C ATOM 1100 C PHE A 69 9.159 -0.025 0.310 1.00 0.77 C ATOM 1101 O PHE A 69 8.227 0.628 0.788 1.00 0.77 O ATOM 1102 CB PHE A 69 10.471 -1.559 1.882 1.00 0.97 C ATOM 1103 CG PHE A 69 10.209 -0.944 3.253 1.00 1.38 C ATOM 1104 CD1 PHE A 69 8.930 -0.526 3.677 1.00 1.74 C ATOM 1105 CD2 PHE A 69 11.298 -0.815 4.137 1.00 3.08 C ATOM 1106 CE1 PHE A 69 8.751 0.044 4.952 1.00 2.57 C ATOM 1107 CE2 PHE A 69 11.121 -0.261 5.418 1.00 3.82 C ATOM 1108 CZ PHE A 69 9.849 0.178 5.820 1.00 3.26 C ATOM 0 H PHE A 69 10.686 -2.871 -0.035 1.00 0.67 H new ATOM 0 HA PHE A 69 8.409 -1.783 1.163 1.00 0.76 H new ATOM 0 HB2 PHE A 69 10.700 -2.613 2.037 1.00 0.97 H new ATOM 0 HB3 PHE A 69 11.371 -1.092 1.482 1.00 0.97 H new ATOM 0 HD1 PHE A 69 8.082 -0.644 3.019 1.00 1.74 H new ATOM 0 HD2 PHE A 69 12.279 -1.145 3.828 1.00 3.08 H new ATOM 0 HE1 PHE A 69 7.772 0.378 5.263 1.00 2.57 H new ATOM 0 HE2 PHE A 69 11.961 -0.174 6.091 1.00 3.82 H new ATOM 0 HZ PHE A 69 9.714 0.619 6.797 1.00 3.26 H new ATOM 1118 N LYS A 70 9.948 0.515 -0.630 1.00 0.81 N ATOM 1119 CA LYS A 70 9.842 1.912 -1.080 1.00 0.85 C ATOM 1120 C LYS A 70 8.608 2.092 -1.944 1.00 0.83 C ATOM 1121 O LYS A 70 7.812 3.008 -1.727 1.00 0.83 O ATOM 1122 CB LYS A 70 11.102 2.247 -1.889 1.00 0.88 C ATOM 1123 CG LYS A 70 11.265 3.733 -2.277 1.00 1.14 C ATOM 1124 CD LYS A 70 11.110 4.052 -3.779 1.00 2.20 C ATOM 1125 CE LYS A 70 9.648 4.106 -4.243 1.00 4.35 C ATOM 1126 NZ LYS A 70 9.518 4.373 -5.697 1.00 5.94 N ATOM 0 H LYS A 70 10.684 -0.009 -1.104 1.00 0.81 H new ATOM 0 HA LYS A 70 9.755 2.577 -0.221 1.00 0.85 H new ATOM 0 HB2 LYS A 70 11.975 1.942 -1.312 1.00 0.88 H new ATOM 0 HB3 LYS A 70 11.097 1.649 -2.801 1.00 0.88 H new ATOM 0 HG2 LYS A 70 10.531 4.317 -1.722 1.00 1.14 H new ATOM 0 HG3 LYS A 70 12.250 4.069 -1.953 1.00 1.14 H new ATOM 0 HD2 LYS A 70 11.586 5.009 -3.991 1.00 2.20 H new ATOM 0 HD3 LYS A 70 11.640 3.297 -4.360 1.00 2.20 H new ATOM 0 HE2 LYS A 70 9.161 3.160 -4.007 1.00 4.35 H new ATOM 0 HE3 LYS A 70 9.123 4.883 -3.687 1.00 4.35 H new ATOM 0 HZ1 LYS A 70 8.533 4.216 -5.992 1.00 5.94 H new ATOM 0 HZ2 LYS A 70 9.786 5.358 -5.894 1.00 5.94 H new ATOM 0 HZ3 LYS A 70 10.144 3.732 -6.225 1.00 5.94 H new ATOM 1140 N GLU A 71 8.477 1.210 -2.927 1.00 0.83 N ATOM 1141 CA GLU A 71 7.350 1.165 -3.840 1.00 0.81 C ATOM 1142 C GLU A 71 6.075 0.862 -3.047 1.00 0.77 C ATOM 1143 O GLU A 71 5.037 1.456 -3.302 1.00 0.80 O ATOM 1144 CB GLU A 71 7.661 0.146 -4.938 1.00 0.91 C ATOM 1145 CG GLU A 71 8.925 0.506 -5.743 1.00 1.19 C ATOM 1146 CD GLU A 71 8.814 1.736 -6.651 1.00 2.28 C ATOM 1147 OE1 GLU A 71 7.797 2.457 -6.616 1.00 3.28 O ATOM 1148 OE2 GLU A 71 9.868 2.165 -7.165 1.00 3.52 O ATOM 0 H GLU A 71 9.173 0.488 -3.113 1.00 0.83 H new ATOM 0 HA GLU A 71 7.180 2.122 -4.333 1.00 0.81 H new ATOM 0 HB2 GLU A 71 7.790 -0.839 -4.488 1.00 0.91 H new ATOM 0 HB3 GLU A 71 6.810 0.078 -5.616 1.00 0.91 H new ATOM 0 HG2 GLU A 71 9.744 0.669 -5.042 1.00 1.19 H new ATOM 0 HG3 GLU A 71 9.197 -0.352 -6.358 1.00 1.19 H new ATOM 1155 N TYR A 72 6.177 0.076 -1.973 1.00 0.75 N ATOM 1156 CA TYR A 72 5.048 -0.159 -1.065 1.00 0.68 C ATOM 1157 C TYR A 72 4.624 1.139 -0.352 1.00 0.63 C ATOM 1158 O TYR A 72 3.442 1.496 -0.358 1.00 0.60 O ATOM 1159 CB TYR A 72 5.418 -1.276 -0.081 1.00 0.69 C ATOM 1160 CG TYR A 72 4.480 -1.497 1.096 1.00 0.59 C ATOM 1161 CD1 TYR A 72 3.112 -1.762 0.889 1.00 1.74 C ATOM 1162 CD2 TYR A 72 5.003 -1.520 2.406 1.00 2.28 C ATOM 1163 CE1 TYR A 72 2.285 -2.106 1.976 1.00 1.84 C ATOM 1164 CE2 TYR A 72 4.185 -1.874 3.494 1.00 2.24 C ATOM 1165 CZ TYR A 72 2.827 -2.195 3.278 1.00 0.72 C ATOM 1166 OH TYR A 72 2.044 -2.617 4.307 1.00 0.90 O ATOM 0 H TYR A 72 7.033 -0.411 -1.709 1.00 0.75 H new ATOM 0 HA TYR A 72 4.180 -0.483 -1.639 1.00 0.68 H new ATOM 0 HB2 TYR A 72 5.488 -2.210 -0.639 1.00 0.69 H new ATOM 0 HB3 TYR A 72 6.412 -1.065 0.313 1.00 0.69 H new ATOM 0 HD1 TYR A 72 2.696 -1.701 -0.106 1.00 1.74 H new ATOM 0 HD2 TYR A 72 6.039 -1.264 2.575 1.00 2.28 H new ATOM 0 HE1 TYR A 72 1.235 -2.302 1.814 1.00 1.84 H new ATOM 0 HE2 TYR A 72 4.595 -1.900 4.493 1.00 2.24 H new ATOM 0 HH TYR A 72 2.611 -2.912 5.050 1.00 0.90 H new ATOM 1176 N SER A 73 5.578 1.878 0.224 1.00 0.65 N ATOM 1177 CA SER A 73 5.287 3.102 0.973 1.00 0.65 C ATOM 1178 C SER A 73 4.754 4.220 0.069 1.00 0.63 C ATOM 1179 O SER A 73 3.788 4.883 0.459 1.00 0.62 O ATOM 1180 CB SER A 73 6.502 3.564 1.795 1.00 0.68 C ATOM 1181 OG SER A 73 7.415 4.378 1.075 1.00 1.16 O ATOM 0 H SER A 73 6.570 1.644 0.184 1.00 0.65 H new ATOM 0 HA SER A 73 4.490 2.862 1.677 1.00 0.65 H new ATOM 0 HB2 SER A 73 6.149 4.116 2.666 1.00 0.68 H new ATOM 0 HB3 SER A 73 7.030 2.686 2.167 1.00 0.68 H new ATOM 0 HG SER A 73 8.224 4.515 1.611 1.00 1.16 H new ATOM 1187 N VAL A 74 5.307 4.415 -1.136 1.00 0.65 N ATOM 1188 CA VAL A 74 4.789 5.413 -2.084 1.00 0.67 C ATOM 1189 C VAL A 74 3.477 4.989 -2.736 1.00 0.69 C ATOM 1190 O VAL A 74 2.708 5.874 -3.065 1.00 0.73 O ATOM 1191 CB VAL A 74 5.767 5.861 -3.182 1.00 0.79 C ATOM 1192 CG1 VAL A 74 7.049 6.428 -2.574 1.00 0.86 C ATOM 1193 CG2 VAL A 74 6.110 4.779 -4.208 1.00 0.91 C ATOM 0 H VAL A 74 6.114 3.894 -1.478 1.00 0.65 H new ATOM 0 HA VAL A 74 4.623 6.276 -1.439 1.00 0.67 H new ATOM 0 HB VAL A 74 5.237 6.640 -3.730 1.00 0.79 H new ATOM 0 HG11 VAL A 74 7.724 6.738 -3.372 1.00 0.86 H new ATOM 0 HG12 VAL A 74 6.806 7.288 -1.950 1.00 0.86 H new ATOM 0 HG13 VAL A 74 7.532 5.663 -1.966 1.00 0.86 H new ATOM 0 HG21 VAL A 74 6.805 5.183 -4.944 1.00 0.91 H new ATOM 0 HG22 VAL A 74 6.570 3.930 -3.702 1.00 0.91 H new ATOM 0 HG23 VAL A 74 5.199 4.452 -4.710 1.00 0.91 H new ATOM 1203 N PHE A 75 3.182 3.697 -2.914 1.00 0.71 N ATOM 1204 CA PHE A 75 1.891 3.241 -3.439 1.00 0.72 C ATOM 1205 C PHE A 75 0.773 3.486 -2.414 1.00 0.65 C ATOM 1206 O PHE A 75 -0.252 4.068 -2.768 1.00 0.68 O ATOM 1207 CB PHE A 75 2.033 1.761 -3.830 1.00 0.78 C ATOM 1208 CG PHE A 75 0.893 1.165 -4.625 1.00 0.83 C ATOM 1209 CD1 PHE A 75 -0.338 0.872 -4.010 1.00 1.72 C ATOM 1210 CD2 PHE A 75 1.083 0.854 -5.983 1.00 2.20 C ATOM 1211 CE1 PHE A 75 -1.368 0.264 -4.747 1.00 1.73 C ATOM 1212 CE2 PHE A 75 0.059 0.232 -6.714 1.00 2.25 C ATOM 1213 CZ PHE A 75 -1.159 -0.085 -6.093 1.00 1.01 C ATOM 0 H PHE A 75 3.830 2.939 -2.699 1.00 0.71 H new ATOM 0 HA PHE A 75 1.609 3.808 -4.326 1.00 0.72 H new ATOM 0 HB2 PHE A 75 2.950 1.647 -4.408 1.00 0.78 H new ATOM 0 HB3 PHE A 75 2.156 1.177 -2.918 1.00 0.78 H new ATOM 0 HD1 PHE A 75 -0.492 1.115 -2.969 1.00 1.72 H new ATOM 0 HD2 PHE A 75 2.019 1.094 -6.465 1.00 2.20 H new ATOM 0 HE1 PHE A 75 -2.321 0.065 -4.279 1.00 1.73 H new ATOM 0 HE2 PHE A 75 0.209 -0.003 -7.757 1.00 2.25 H new ATOM 0 HZ PHE A 75 -1.933 -0.595 -6.647 1.00 1.01 H new ATOM 1223 N LEU A 76 0.980 3.135 -1.133 1.00 0.57 N ATOM 1224 CA LEU A 76 0.036 3.467 -0.053 1.00 0.52 C ATOM 1225 C LEU A 76 -0.164 4.985 0.061 1.00 0.56 C ATOM 1226 O LEU A 76 -1.303 5.462 0.116 1.00 0.67 O ATOM 1227 CB LEU A 76 0.564 2.911 1.282 1.00 0.46 C ATOM 1228 CG LEU A 76 0.537 1.382 1.456 1.00 0.54 C ATOM 1229 CD1 LEU A 76 1.181 1.073 2.812 1.00 0.94 C ATOM 1230 CD2 LEU A 76 -0.887 0.808 1.397 1.00 0.60 C ATOM 0 H LEU A 76 1.801 2.617 -0.819 1.00 0.57 H new ATOM 0 HA LEU A 76 -0.927 3.014 -0.287 1.00 0.52 H new ATOM 0 HB2 LEU A 76 1.593 3.249 1.408 1.00 0.46 H new ATOM 0 HB3 LEU A 76 -0.019 3.355 2.089 1.00 0.46 H new ATOM 0 HG LEU A 76 1.083 0.915 0.637 1.00 0.54 H new ATOM 0 HD11 LEU A 76 1.183 -0.004 2.977 1.00 0.94 H new ATOM 0 HD12 LEU A 76 2.206 1.443 2.821 1.00 0.94 H new ATOM 0 HD13 LEU A 76 0.613 1.560 3.604 1.00 0.94 H new ATOM 0 HD21 LEU A 76 -0.849 -0.274 1.525 1.00 0.60 H new ATOM 0 HD22 LEU A 76 -1.489 1.247 2.193 1.00 0.60 H new ATOM 0 HD23 LEU A 76 -1.334 1.043 0.431 1.00 0.60 H new ATOM 1242 N THR A 77 0.942 5.735 0.047 1.00 0.56 N ATOM 1243 CA THR A 77 0.943 7.198 0.138 1.00 0.60 C ATOM 1244 C THR A 77 0.267 7.825 -1.067 1.00 0.73 C ATOM 1245 O THR A 77 -0.502 8.761 -0.902 1.00 0.85 O ATOM 1246 CB THR A 77 2.373 7.706 0.306 1.00 0.64 C ATOM 1247 OG1 THR A 77 2.854 7.198 1.523 1.00 0.61 O ATOM 1248 CG2 THR A 77 2.423 9.223 0.392 1.00 0.74 C ATOM 0 H THR A 77 1.877 5.336 -0.029 1.00 0.56 H new ATOM 0 HA THR A 77 0.367 7.494 1.015 1.00 0.60 H new ATOM 0 HB THR A 77 2.965 7.386 -0.552 1.00 0.64 H new ATOM 0 HG1 THR A 77 3.354 6.371 1.358 1.00 0.61 H new ATOM 0 HG21 THR A 77 3.457 9.547 0.511 1.00 0.74 H new ATOM 0 HG22 THR A 77 2.011 9.653 -0.521 1.00 0.74 H new ATOM 0 HG23 THR A 77 1.837 9.558 1.248 1.00 0.74 H new ATOM 1256 N MET A 78 0.505 7.298 -2.270 1.00 0.76 N ATOM 1257 CA MET A 78 -0.112 7.739 -3.522 1.00 0.88 C ATOM 1258 C MET A 78 -1.614 7.492 -3.503 1.00 0.89 C ATOM 1259 O MET A 78 -2.353 8.375 -3.916 1.00 1.00 O ATOM 1260 CB MET A 78 0.564 7.027 -4.705 1.00 0.94 C ATOM 1261 CG MET A 78 -0.079 7.312 -6.063 1.00 1.21 C ATOM 1262 SD MET A 78 0.937 6.883 -7.505 1.00 1.51 S ATOM 1263 CE MET A 78 1.495 5.217 -7.073 1.00 1.47 C ATOM 0 H MET A 78 1.156 6.524 -2.403 1.00 0.76 H new ATOM 0 HA MET A 78 0.033 8.813 -3.636 1.00 0.88 H new ATOM 0 HB2 MET A 78 1.612 7.325 -4.743 1.00 0.94 H new ATOM 0 HB3 MET A 78 0.545 5.952 -4.526 1.00 0.94 H new ATOM 0 HG2 MET A 78 -1.019 6.763 -6.124 1.00 1.21 H new ATOM 0 HG3 MET A 78 -0.325 8.372 -6.115 1.00 1.21 H new ATOM 0 HE1 MET A 78 1.865 4.714 -7.966 1.00 1.47 H new ATOM 0 HE2 MET A 78 2.295 5.281 -6.335 1.00 1.47 H new ATOM 0 HE3 MET A 78 0.662 4.651 -6.657 1.00 1.47 H new ATOM 1273 N LEU A 79 -2.073 6.342 -2.990 1.00 0.81 N ATOM 1274 CA LEU A 79 -3.503 6.079 -2.800 1.00 0.84 C ATOM 1275 C LEU A 79 -4.090 7.095 -1.811 1.00 0.97 C ATOM 1276 O LEU A 79 -5.032 7.797 -2.161 1.00 1.25 O ATOM 1277 CB LEU A 79 -3.720 4.611 -2.365 1.00 0.80 C ATOM 1278 CG LEU A 79 -5.115 4.003 -2.676 1.00 0.87 C ATOM 1279 CD1 LEU A 79 -6.271 5.006 -2.750 1.00 1.57 C ATOM 1280 CD2 LEU A 79 -5.120 3.183 -3.971 1.00 1.95 C ATOM 0 H LEU A 79 -1.468 5.575 -2.698 1.00 0.81 H new ATOM 0 HA LEU A 79 -4.038 6.207 -3.741 1.00 0.84 H new ATOM 0 HB2 LEU A 79 -2.962 3.995 -2.849 1.00 0.80 H new ATOM 0 HB3 LEU A 79 -3.548 4.543 -1.291 1.00 0.80 H new ATOM 0 HG LEU A 79 -5.290 3.364 -1.810 1.00 0.87 H new ATOM 0 HD11 LEU A 79 -7.198 4.477 -2.972 1.00 1.57 H new ATOM 0 HD12 LEU A 79 -6.367 5.522 -1.794 1.00 1.57 H new ATOM 0 HD13 LEU A 79 -6.071 5.734 -3.536 1.00 1.57 H new ATOM 0 HD21 LEU A 79 -6.118 2.780 -4.143 1.00 1.95 H new ATOM 0 HD22 LEU A 79 -4.838 3.822 -4.808 1.00 1.95 H new ATOM 0 HD23 LEU A 79 -4.407 2.363 -3.885 1.00 1.95 H new ATOM 1292 N CYS A 80 -3.513 7.247 -0.615 1.00 0.84 N ATOM 1293 CA CYS A 80 -4.017 8.183 0.396 1.00 0.90 C ATOM 1294 C CYS A 80 -4.071 9.638 -0.124 1.00 1.05 C ATOM 1295 O CYS A 80 -5.082 10.314 0.040 1.00 1.24 O ATOM 1296 CB CYS A 80 -3.148 8.021 1.652 1.00 0.83 C ATOM 1297 SG CYS A 80 -3.939 8.837 3.068 1.00 0.99 S ATOM 0 H CYS A 80 -2.686 6.727 -0.321 1.00 0.84 H new ATOM 0 HA CYS A 80 -5.053 7.949 0.642 1.00 0.90 H new ATOM 0 HB2 CYS A 80 -3.001 6.963 1.868 1.00 0.83 H new ATOM 0 HB3 CYS A 80 -2.161 8.451 1.479 1.00 0.83 H new ATOM 0 HG CYS A 80 -3.195 8.691 4.124 1.00 0.99 H new ATOM 1303 N MET A 81 -3.037 10.085 -0.841 1.00 1.09 N ATOM 1304 CA MET A 81 -2.946 11.387 -1.520 1.00 1.35 C ATOM 1305 C MET A 81 -3.964 11.522 -2.664 1.00 1.48 C ATOM 1306 O MET A 81 -4.403 12.629 -2.970 1.00 1.60 O ATOM 1307 CB MET A 81 -1.490 11.527 -2.006 1.00 1.52 C ATOM 1308 CG MET A 81 -1.140 12.832 -2.739 1.00 2.14 C ATOM 1309 SD MET A 81 -0.316 12.583 -4.336 1.00 3.55 S ATOM 1310 CE MET A 81 -1.692 11.822 -5.234 1.00 4.68 C ATOM 0 H MET A 81 -2.196 9.523 -0.972 1.00 1.09 H new ATOM 0 HA MET A 81 -3.199 12.196 -0.835 1.00 1.35 H new ATOM 0 HB2 MET A 81 -0.831 11.432 -1.143 1.00 1.52 H new ATOM 0 HB3 MET A 81 -1.269 10.691 -2.670 1.00 1.52 H new ATOM 0 HG2 MET A 81 -2.054 13.403 -2.899 1.00 2.14 H new ATOM 0 HG3 MET A 81 -0.495 13.434 -2.099 1.00 2.14 H new ATOM 0 HE1 MET A 81 -1.488 11.851 -6.304 1.00 4.68 H new ATOM 0 HE2 MET A 81 -1.807 10.786 -4.914 1.00 4.68 H new ATOM 0 HE3 MET A 81 -2.611 12.370 -5.025 1.00 4.68 H new ATOM 1320 N ALA A 82 -4.370 10.407 -3.277 1.00 1.53 N ATOM 1321 CA ALA A 82 -5.336 10.374 -4.376 1.00 1.77 C ATOM 1322 C ALA A 82 -6.818 10.234 -3.960 1.00 1.80 C ATOM 1323 O ALA A 82 -7.667 10.157 -4.851 1.00 2.08 O ATOM 1324 CB ALA A 82 -4.919 9.284 -5.376 1.00 2.18 C ATOM 0 H ALA A 82 -4.028 9.482 -3.017 1.00 1.53 H new ATOM 0 HA ALA A 82 -5.301 11.358 -4.844 1.00 1.77 H new ATOM 0 HB1 ALA A 82 -5.633 9.252 -6.199 1.00 2.18 H new ATOM 0 HB2 ALA A 82 -3.926 9.509 -5.766 1.00 2.18 H new ATOM 0 HB3 ALA A 82 -4.901 8.317 -4.874 1.00 2.18 H new ATOM 1330 N TYR A 83 -7.155 10.223 -2.661 1.00 1.62 N ATOM 1331 CA TYR A 83 -8.562 10.286 -2.209 1.00 1.82 C ATOM 1332 C TYR A 83 -8.843 10.913 -0.823 1.00 1.70 C ATOM 1333 O TYR A 83 -9.989 11.279 -0.571 1.00 2.24 O ATOM 1334 CB TYR A 83 -9.275 8.922 -2.409 1.00 2.20 C ATOM 1335 CG TYR A 83 -8.893 7.672 -1.619 1.00 2.08 C ATOM 1336 CD1 TYR A 83 -7.950 7.667 -0.567 1.00 1.92 C ATOM 1337 CD2 TYR A 83 -9.552 6.466 -1.943 1.00 3.37 C ATOM 1338 CE1 TYR A 83 -7.712 6.492 0.175 1.00 1.76 C ATOM 1339 CE2 TYR A 83 -9.335 5.295 -1.195 1.00 3.54 C ATOM 1340 CZ TYR A 83 -8.416 5.306 -0.125 1.00 2.22 C ATOM 1341 OH TYR A 83 -8.174 4.163 0.567 1.00 2.51 O ATOM 0 H TYR A 83 -6.476 10.171 -1.902 1.00 1.62 H new ATOM 0 HA TYR A 83 -9.008 11.028 -2.872 1.00 1.82 H new ATOM 0 HB2 TYR A 83 -10.335 9.095 -2.225 1.00 2.20 H new ATOM 0 HB3 TYR A 83 -9.171 8.668 -3.464 1.00 2.20 H new ATOM 0 HD1 TYR A 83 -7.407 8.570 -0.329 1.00 1.92 H new ATOM 0 HD2 TYR A 83 -10.234 6.442 -2.780 1.00 3.37 H new ATOM 0 HE1 TYR A 83 -6.988 6.499 0.976 1.00 1.76 H new ATOM 0 HE2 TYR A 83 -9.871 4.390 -1.439 1.00 3.54 H new ATOM 0 HH TYR A 83 -8.750 3.447 0.227 1.00 2.51 H new ATOM 1351 N ASN A 84 -7.866 11.080 0.079 1.00 1.52 N ATOM 1352 CA ASN A 84 -8.131 11.487 1.468 1.00 1.69 C ATOM 1353 C ASN A 84 -8.297 13.014 1.648 1.00 1.57 C ATOM 1354 O ASN A 84 -7.324 13.752 1.769 1.00 1.98 O ATOM 1355 CB ASN A 84 -7.033 10.916 2.379 1.00 2.08 C ATOM 1356 CG ASN A 84 -7.293 11.137 3.865 1.00 2.77 C ATOM 1357 OD1 ASN A 84 -8.362 11.548 4.289 1.00 3.78 O ATOM 1358 ND2 ASN A 84 -6.328 10.831 4.710 1.00 3.22 N ATOM 0 H ASN A 84 -6.878 10.939 -0.130 1.00 1.52 H new ATOM 0 HA ASN A 84 -9.096 11.071 1.756 1.00 1.69 H new ATOM 0 HB2 ASN A 84 -6.937 9.847 2.191 1.00 2.08 H new ATOM 0 HB3 ASN A 84 -6.079 11.373 2.114 1.00 2.08 H new ATOM 0 HD21 ASN A 84 -6.476 10.938 5.714 1.00 3.22 H new ATOM 0 HD22 ASN A 84 -5.434 10.487 4.360 1.00 3.22 H new ATOM 1365 N ASP A 85 -9.549 13.468 1.747 1.00 1.58 N ATOM 1366 CA ASP A 85 -9.973 14.839 2.079 1.00 1.67 C ATOM 1367 C ASP A 85 -10.138 15.091 3.594 1.00 1.97 C ATOM 1368 O ASP A 85 -10.272 16.241 4.008 1.00 2.15 O ATOM 1369 CB ASP A 85 -11.318 15.092 1.367 1.00 2.15 C ATOM 1370 CG ASP A 85 -12.433 14.129 1.820 1.00 3.43 C ATOM 1371 OD1 ASP A 85 -12.400 12.951 1.384 1.00 4.15 O ATOM 1372 OD2 ASP A 85 -13.292 14.551 2.621 1.00 4.43 O ATOM 0 H ASP A 85 -10.347 12.853 1.588 1.00 1.58 H new ATOM 0 HA ASP A 85 -9.191 15.522 1.746 1.00 1.67 H new ATOM 0 HB2 ASP A 85 -11.634 16.118 1.555 1.00 2.15 H new ATOM 0 HB3 ASP A 85 -11.177 14.994 0.291 1.00 2.15 H new ATOM 1377 N PHE A 86 -10.078 14.060 4.445 1.00 2.27 N ATOM 1378 CA PHE A 86 -10.327 14.196 5.888 1.00 2.71 C ATOM 1379 C PHE A 86 -9.186 14.894 6.662 1.00 2.83 C ATOM 1380 O PHE A 86 -9.307 15.126 7.863 1.00 3.38 O ATOM 1381 CB PHE A 86 -10.710 12.829 6.485 1.00 3.00 C ATOM 1382 CG PHE A 86 -12.205 12.546 6.464 1.00 3.26 C ATOM 1383 CD1 PHE A 86 -12.909 12.515 5.245 1.00 3.54 C ATOM 1384 CD2 PHE A 86 -12.904 12.354 7.672 1.00 4.41 C ATOM 1385 CE1 PHE A 86 -14.300 12.312 5.234 1.00 4.21 C ATOM 1386 CE2 PHE A 86 -14.295 12.138 7.660 1.00 5.05 C ATOM 1387 CZ PHE A 86 -14.995 12.122 6.440 1.00 4.68 C ATOM 0 H PHE A 86 -9.856 13.108 4.155 1.00 2.27 H new ATOM 0 HA PHE A 86 -11.172 14.874 6.007 1.00 2.71 H new ATOM 0 HB2 PHE A 86 -10.193 12.044 5.932 1.00 3.00 H new ATOM 0 HB3 PHE A 86 -10.355 12.780 7.514 1.00 3.00 H new ATOM 0 HD1 PHE A 86 -12.378 12.648 4.314 1.00 3.54 H new ATOM 0 HD2 PHE A 86 -12.371 12.373 8.611 1.00 4.41 H new ATOM 0 HE1 PHE A 86 -14.836 12.302 4.296 1.00 4.21 H new ATOM 0 HE2 PHE A 86 -14.825 11.984 8.588 1.00 5.05 H new ATOM 0 HZ PHE A 86 -16.063 11.964 6.430 1.00 4.68 H new ATOM 1397 N PHE A 87 -8.094 15.275 5.982 1.00 2.44 N ATOM 1398 CA PHE A 87 -7.097 16.233 6.478 1.00 2.57 C ATOM 1399 C PHE A 87 -7.025 17.526 5.645 1.00 2.45 C ATOM 1400 O PHE A 87 -6.057 18.282 5.744 1.00 2.72 O ATOM 1401 CB PHE A 87 -5.759 15.529 6.739 1.00 2.74 C ATOM 1402 CG PHE A 87 -4.928 15.155 5.532 1.00 2.81 C ATOM 1403 CD1 PHE A 87 -5.312 14.099 4.684 1.00 3.69 C ATOM 1404 CD2 PHE A 87 -3.717 15.831 5.300 1.00 3.81 C ATOM 1405 CE1 PHE A 87 -4.474 13.706 3.626 1.00 5.03 C ATOM 1406 CE2 PHE A 87 -2.885 15.430 4.245 1.00 5.19 C ATOM 1407 CZ PHE A 87 -3.253 14.365 3.412 1.00 5.66 C ATOM 0 H PHE A 87 -7.876 14.917 5.052 1.00 2.44 H new ATOM 0 HA PHE A 87 -7.426 16.605 7.448 1.00 2.57 H new ATOM 0 HB2 PHE A 87 -5.156 16.175 7.377 1.00 2.74 H new ATOM 0 HB3 PHE A 87 -5.960 14.620 7.305 1.00 2.74 H new ATOM 0 HD1 PHE A 87 -6.251 13.591 4.846 1.00 3.69 H new ATOM 0 HD2 PHE A 87 -3.428 16.657 5.933 1.00 3.81 H new ATOM 0 HE1 PHE A 87 -4.770 12.896 2.977 1.00 5.03 H new ATOM 0 HE2 PHE A 87 -1.952 15.947 4.073 1.00 5.19 H new ATOM 0 HZ PHE A 87 -2.601 14.053 2.610 1.00 5.66 H new ATOM 1417 N LEU A 88 -8.064 17.813 4.853 1.00 2.19 N ATOM 1418 CA LEU A 88 -8.229 19.029 4.060 1.00 2.11 C ATOM 1419 C LEU A 88 -9.275 19.954 4.698 1.00 2.60 C ATOM 1420 O LEU A 88 -9.126 20.315 5.868 1.00 3.14 O ATOM 1421 CB LEU A 88 -8.448 18.684 2.566 1.00 1.76 C ATOM 1422 CG LEU A 88 -7.160 18.187 1.891 1.00 2.25 C ATOM 1423 CD1 LEU A 88 -6.688 16.798 2.336 1.00 4.11 C ATOM 1424 CD2 LEU A 88 -7.242 18.352 0.371 1.00 3.00 C ATOM 0 H LEU A 88 -8.849 17.170 4.745 1.00 2.19 H new ATOM 0 HA LEU A 88 -7.310 19.615 4.068 1.00 2.11 H new ATOM 0 HB2 LEU A 88 -9.220 17.919 2.481 1.00 1.76 H new ATOM 0 HB3 LEU A 88 -8.814 19.566 2.041 1.00 1.76 H new ATOM 0 HG LEU A 88 -6.362 18.836 2.251 1.00 2.25 H new ATOM 0 HD11 LEU A 88 -5.773 16.537 1.804 1.00 4.11 H new ATOM 0 HD12 LEU A 88 -6.494 16.806 3.409 1.00 4.11 H new ATOM 0 HD13 LEU A 88 -7.460 16.062 2.112 1.00 4.11 H new ATOM 0 HD21 LEU A 88 -6.319 17.993 -0.084 1.00 3.00 H new ATOM 0 HD22 LEU A 88 -8.084 17.775 -0.013 1.00 3.00 H new ATOM 0 HD23 LEU A 88 -7.382 19.405 0.126 1.00 3.00 H new ATOM 1517 N GLU B 2 -11.785 1.646 8.235 1.00 2.91 N ATOM 1518 CA GLU B 2 -11.288 1.064 9.482 1.00 2.27 C ATOM 1519 C GLU B 2 -10.894 -0.391 9.240 1.00 2.33 C ATOM 1520 O GLU B 2 -11.720 -1.269 9.001 1.00 3.53 O ATOM 1521 CB GLU B 2 -12.239 1.222 10.672 1.00 2.62 C ATOM 1522 CG GLU B 2 -12.271 2.672 11.164 1.00 3.74 C ATOM 1523 CD GLU B 2 -10.875 3.253 11.416 1.00 4.16 C ATOM 1524 OE1 GLU B 2 -10.027 2.607 12.072 1.00 4.43 O ATOM 1525 OE2 GLU B 2 -10.571 4.326 10.859 1.00 5.06 O ATOM 0 HA GLU B 2 -10.405 1.632 9.776 1.00 2.27 H new ATOM 0 HB2 GLU B 2 -13.243 0.911 10.383 1.00 2.62 H new ATOM 0 HB3 GLU B 2 -11.923 0.566 11.483 1.00 2.62 H new ATOM 0 HG2 GLU B 2 -12.787 3.288 10.427 1.00 3.74 H new ATOM 0 HG3 GLU B 2 -12.851 2.724 12.085 1.00 3.74 H new ATOM 1532 N THR B 3 -9.575 -0.543 9.255 1.00 1.43 N ATOM 1533 CA THR B 3 -8.717 -1.659 8.828 1.00 1.50 C ATOM 1534 C THR B 3 -7.302 -1.372 9.356 1.00 1.41 C ATOM 1535 O THR B 3 -6.992 -0.198 9.587 1.00 1.41 O ATOM 1536 CB THR B 3 -8.706 -1.873 7.300 1.00 1.67 C ATOM 1537 OG1 THR B 3 -8.941 -0.686 6.571 1.00 2.44 O ATOM 1538 CG2 THR B 3 -9.730 -2.915 6.856 1.00 1.75 C ATOM 0 H THR B 3 -8.997 0.216 9.616 1.00 1.43 H new ATOM 0 HA THR B 3 -9.113 -2.588 9.239 1.00 1.50 H new ATOM 0 HB THR B 3 -7.699 -2.227 7.081 1.00 1.67 H new ATOM 0 HG1 THR B 3 -8.921 -0.882 5.611 1.00 2.44 H new ATOM 0 HG21 THR B 3 -9.685 -3.031 5.773 1.00 1.75 H new ATOM 0 HG22 THR B 3 -9.508 -3.870 7.333 1.00 1.75 H new ATOM 0 HG23 THR B 3 -10.729 -2.589 7.145 1.00 1.75 H new ATOM 1546 N PRO B 4 -6.452 -2.386 9.602 1.00 1.44 N ATOM 1547 CA PRO B 4 -5.249 -2.199 10.410 1.00 1.41 C ATOM 1548 C PRO B 4 -4.130 -1.428 9.698 1.00 1.19 C ATOM 1549 O PRO B 4 -3.504 -0.587 10.339 1.00 1.22 O ATOM 1550 CB PRO B 4 -4.802 -3.610 10.806 1.00 1.61 C ATOM 1551 CG PRO B 4 -5.370 -4.495 9.694 1.00 1.67 C ATOM 1552 CD PRO B 4 -6.687 -3.800 9.357 1.00 1.60 C ATOM 0 HA PRO B 4 -5.475 -1.576 11.275 1.00 1.41 H new ATOM 0 HB2 PRO B 4 -3.716 -3.685 10.862 1.00 1.61 H new ATOM 0 HB3 PRO B 4 -5.192 -3.894 11.783 1.00 1.61 H new ATOM 0 HG2 PRO B 4 -4.704 -4.541 8.832 1.00 1.67 H new ATOM 0 HG3 PRO B 4 -5.527 -5.520 10.031 1.00 1.67 H new ATOM 0 HD2 PRO B 4 -6.970 -3.977 8.319 1.00 1.60 H new ATOM 0 HD3 PRO B 4 -7.500 -4.176 9.978 1.00 1.60 H new ATOM 1560 N LEU B 5 -3.879 -1.652 8.397 1.00 1.05 N ATOM 1561 CA LEU B 5 -2.806 -0.932 7.693 1.00 0.86 C ATOM 1562 C LEU B 5 -3.113 0.565 7.553 1.00 0.73 C ATOM 1563 O LEU B 5 -2.204 1.387 7.684 1.00 0.74 O ATOM 1564 CB LEU B 5 -2.529 -1.627 6.351 1.00 0.90 C ATOM 1565 CG LEU B 5 -1.477 -0.953 5.444 1.00 0.97 C ATOM 1566 CD1 LEU B 5 -0.128 -0.713 6.142 1.00 1.42 C ATOM 1567 CD2 LEU B 5 -1.279 -1.855 4.217 1.00 1.66 C ATOM 0 H LEU B 5 -4.396 -2.315 7.820 1.00 1.05 H new ATOM 0 HA LEU B 5 -1.892 -0.973 8.286 1.00 0.86 H new ATOM 0 HB2 LEU B 5 -2.205 -2.648 6.553 1.00 0.90 H new ATOM 0 HB3 LEU B 5 -3.466 -1.694 5.799 1.00 0.90 H new ATOM 0 HG LEU B 5 -1.847 0.035 5.168 1.00 0.97 H new ATOM 0 HD11 LEU B 5 0.562 -0.237 5.446 1.00 1.42 H new ATOM 0 HD12 LEU B 5 -0.276 -0.066 7.006 1.00 1.42 H new ATOM 0 HD13 LEU B 5 0.287 -1.666 6.469 1.00 1.42 H new ATOM 0 HD21 LEU B 5 -0.540 -1.408 3.552 1.00 1.66 H new ATOM 0 HD22 LEU B 5 -0.931 -2.836 4.539 1.00 1.66 H new ATOM 0 HD23 LEU B 5 -2.226 -1.962 3.687 1.00 1.66 H new ATOM 1579 N GLU B 6 -4.398 0.922 7.430 1.00 0.79 N ATOM 1580 CA GLU B 6 -4.900 2.300 7.424 1.00 0.87 C ATOM 1581 C GLU B 6 -4.372 3.090 8.629 1.00 0.94 C ATOM 1582 O GLU B 6 -4.215 4.303 8.571 1.00 1.01 O ATOM 1583 CB GLU B 6 -6.438 2.282 7.478 1.00 0.93 C ATOM 1584 CG GLU B 6 -7.091 3.654 7.270 1.00 1.65 C ATOM 1585 CD GLU B 6 -7.156 3.992 5.794 1.00 2.98 C ATOM 1586 OE1 GLU B 6 -6.167 4.573 5.298 1.00 4.21 O ATOM 1587 OE2 GLU B 6 -8.190 3.631 5.174 1.00 3.65 O ATOM 0 H GLU B 6 -5.143 0.233 7.328 1.00 0.79 H new ATOM 0 HA GLU B 6 -4.553 2.784 6.511 1.00 0.87 H new ATOM 0 HB2 GLU B 6 -6.809 1.596 6.716 1.00 0.93 H new ATOM 0 HB3 GLU B 6 -6.752 1.886 8.444 1.00 0.93 H new ATOM 0 HG2 GLU B 6 -8.095 3.653 7.694 1.00 1.65 H new ATOM 0 HG3 GLU B 6 -6.522 4.418 7.800 1.00 1.65 H new ATOM 1594 N LYS B 7 -4.090 2.436 9.754 1.00 0.96 N ATOM 1595 CA LYS B 7 -3.590 3.122 10.945 1.00 1.04 C ATOM 1596 C LYS B 7 -2.171 3.689 10.760 1.00 1.08 C ATOM 1597 O LYS B 7 -1.871 4.737 11.329 1.00 1.29 O ATOM 1598 CB LYS B 7 -3.740 2.198 12.159 1.00 1.14 C ATOM 1599 CG LYS B 7 -5.167 1.637 12.349 1.00 1.50 C ATOM 1600 CD LYS B 7 -6.287 2.691 12.408 1.00 2.12 C ATOM 1601 CE LYS B 7 -6.893 3.080 11.050 1.00 3.67 C ATOM 1602 NZ LYS B 7 -7.921 4.134 11.189 1.00 4.29 N ATOM 0 H LYS B 7 -4.200 1.428 9.866 1.00 0.96 H new ATOM 0 HA LYS B 7 -4.198 4.009 11.125 1.00 1.04 H new ATOM 0 HB2 LYS B 7 -3.044 1.365 12.057 1.00 1.14 H new ATOM 0 HB3 LYS B 7 -3.453 2.745 13.057 1.00 1.14 H new ATOM 0 HG2 LYS B 7 -5.381 0.949 11.531 1.00 1.50 H new ATOM 0 HG3 LYS B 7 -5.191 1.054 13.270 1.00 1.50 H new ATOM 0 HD2 LYS B 7 -7.084 2.315 13.049 1.00 2.12 H new ATOM 0 HD3 LYS B 7 -5.893 3.590 12.883 1.00 2.12 H new ATOM 0 HE2 LYS B 7 -6.102 3.429 10.386 1.00 3.67 H new ATOM 0 HE3 LYS B 7 -7.336 2.200 10.584 1.00 3.67 H new ATOM 0 HZ1 LYS B 7 -8.584 4.080 10.390 1.00 4.29 H new ATOM 0 HZ2 LYS B 7 -8.440 3.997 12.080 1.00 4.29 H new ATOM 0 HZ3 LYS B 7 -7.462 5.067 11.196 1.00 4.29 H new ATOM 1616 N ALA B 8 -1.346 3.107 9.879 1.00 1.02 N ATOM 1617 CA ALA B 8 -0.096 3.721 9.430 1.00 1.08 C ATOM 1618 C ALA B 8 -0.346 5.030 8.670 1.00 0.99 C ATOM 1619 O ALA B 8 0.280 6.040 8.986 1.00 1.06 O ATOM 1620 CB ALA B 8 0.686 2.732 8.560 1.00 1.22 C ATOM 0 H ALA B 8 -1.530 2.196 9.459 1.00 1.02 H new ATOM 0 HA ALA B 8 0.495 3.968 10.312 1.00 1.08 H new ATOM 0 HB1 ALA B 8 1.616 3.195 8.229 1.00 1.22 H new ATOM 0 HB2 ALA B 8 0.913 1.837 9.140 1.00 1.22 H new ATOM 0 HB3 ALA B 8 0.087 2.459 7.691 1.00 1.22 H new ATOM 1626 N LEU B 9 -1.297 5.028 7.726 1.00 0.88 N ATOM 1627 CA LEU B 9 -1.700 6.204 6.951 1.00 0.87 C ATOM 1628 C LEU B 9 -2.363 7.258 7.844 1.00 0.83 C ATOM 1629 O LEU B 9 -1.998 8.425 7.750 1.00 0.92 O ATOM 1630 CB LEU B 9 -2.638 5.807 5.788 1.00 0.84 C ATOM 1631 CG LEU B 9 -2.012 5.045 4.599 1.00 0.76 C ATOM 1632 CD1 LEU B 9 -0.785 5.775 4.033 1.00 0.77 C ATOM 1633 CD2 LEU B 9 -1.658 3.591 4.942 1.00 0.87 C ATOM 0 H LEU B 9 -1.818 4.188 7.476 1.00 0.88 H new ATOM 0 HA LEU B 9 -0.797 6.643 6.526 1.00 0.87 H new ATOM 0 HB2 LEU B 9 -3.440 5.193 6.197 1.00 0.84 H new ATOM 0 HB3 LEU B 9 -3.098 6.716 5.401 1.00 0.84 H new ATOM 0 HG LEU B 9 -2.782 5.018 3.828 1.00 0.76 H new ATOM 0 HD11 LEU B 9 -0.375 5.205 3.199 1.00 0.77 H new ATOM 0 HD12 LEU B 9 -1.079 6.766 3.686 1.00 0.77 H new ATOM 0 HD13 LEU B 9 -0.029 5.873 4.812 1.00 0.77 H new ATOM 0 HD21 LEU B 9 -1.222 3.107 4.068 1.00 0.87 H new ATOM 0 HD22 LEU B 9 -0.940 3.575 5.762 1.00 0.87 H new ATOM 0 HD23 LEU B 9 -2.561 3.057 5.240 1.00 0.87 H new ATOM 1645 N THR B 10 -3.256 6.854 8.758 1.00 0.74 N ATOM 1646 CA THR B 10 -3.901 7.711 9.767 1.00 0.70 C ATOM 1647 C THR B 10 -2.831 8.420 10.585 1.00 0.77 C ATOM 1648 O THR B 10 -2.805 9.648 10.623 1.00 0.87 O ATOM 1649 CB THR B 10 -4.799 6.887 10.700 1.00 0.68 C ATOM 1650 OG1 THR B 10 -5.718 6.104 9.973 1.00 1.04 O ATOM 1651 CG2 THR B 10 -5.609 7.790 11.628 1.00 1.09 C ATOM 0 H THR B 10 -3.562 5.883 8.818 1.00 0.74 H new ATOM 0 HA THR B 10 -4.524 8.442 9.252 1.00 0.70 H new ATOM 0 HB THR B 10 -4.131 6.247 11.277 1.00 0.68 H new ATOM 0 HG1 THR B 10 -5.244 5.367 9.534 1.00 1.04 H new ATOM 0 HG21 THR B 10 -6.235 7.177 12.277 1.00 1.09 H new ATOM 0 HG22 THR B 10 -4.931 8.387 12.237 1.00 1.09 H new ATOM 0 HG23 THR B 10 -6.240 8.451 11.033 1.00 1.09 H new ATOM 1659 N THR B 11 -1.896 7.668 11.169 1.00 0.77 N ATOM 1660 CA THR B 11 -0.790 8.224 11.952 1.00 0.82 C ATOM 1661 C THR B 11 0.064 9.137 11.087 1.00 0.84 C ATOM 1662 O THR B 11 0.394 10.225 11.546 1.00 0.89 O ATOM 1663 CB THR B 11 0.018 7.094 12.590 1.00 0.83 C ATOM 1664 OG1 THR B 11 -0.812 6.456 13.527 1.00 0.95 O ATOM 1665 CG2 THR B 11 1.244 7.576 13.363 1.00 0.99 C ATOM 0 H THR B 11 -1.885 6.650 11.112 1.00 0.77 H new ATOM 0 HA THR B 11 -1.186 8.836 12.762 1.00 0.82 H new ATOM 0 HB THR B 11 0.358 6.450 11.779 1.00 0.83 H new ATOM 0 HG1 THR B 11 -1.357 5.779 13.074 1.00 0.95 H new ATOM 0 HG21 THR B 11 1.767 6.719 13.787 1.00 0.99 H new ATOM 0 HG22 THR B 11 1.912 8.111 12.688 1.00 0.99 H new ATOM 0 HG23 THR B 11 0.929 8.242 14.166 1.00 0.99 H new ATOM 1673 N MET B 12 0.385 8.753 9.850 1.00 0.84 N ATOM 1674 CA MET B 12 1.167 9.595 8.933 1.00 0.88 C ATOM 1675 C MET B 12 0.451 10.889 8.553 1.00 0.94 C ATOM 1676 O MET B 12 1.116 11.921 8.547 1.00 1.10 O ATOM 1677 CB MET B 12 1.589 8.821 7.674 1.00 0.85 C ATOM 1678 CG MET B 12 2.811 7.947 7.965 1.00 0.84 C ATOM 1679 SD MET B 12 3.425 7.050 6.519 1.00 1.06 S ATOM 1680 CE MET B 12 5.129 6.752 7.048 1.00 0.85 C ATOM 0 H MET B 12 0.113 7.853 9.454 1.00 0.84 H new ATOM 0 HA MET B 12 2.065 9.878 9.482 1.00 0.88 H new ATOM 0 HB2 MET B 12 0.763 8.198 7.329 1.00 0.85 H new ATOM 0 HB3 MET B 12 1.818 9.520 6.870 1.00 0.85 H new ATOM 0 HG2 MET B 12 3.610 8.575 8.358 1.00 0.84 H new ATOM 0 HG3 MET B 12 2.556 7.230 8.745 1.00 0.84 H new ATOM 0 HE1 MET B 12 5.539 5.907 6.495 1.00 0.85 H new ATOM 0 HE2 MET B 12 5.731 7.640 6.853 1.00 0.85 H new ATOM 0 HE3 MET B 12 5.145 6.530 8.115 1.00 0.85 H new ATOM 1690 N VAL B 13 -0.861 10.881 8.288 1.00 0.86 N ATOM 1691 CA VAL B 13 -1.599 12.119 7.968 1.00 0.90 C ATOM 1692 C VAL B 13 -1.730 13.026 9.193 1.00 0.92 C ATOM 1693 O VAL B 13 -1.513 14.227 9.068 1.00 0.98 O ATOM 1694 CB VAL B 13 -2.964 11.915 7.264 1.00 0.90 C ATOM 1695 CG1 VAL B 13 -2.773 11.289 5.873 1.00 0.97 C ATOM 1696 CG2 VAL B 13 -4.021 11.140 8.058 1.00 0.87 C ATOM 0 H VAL B 13 -1.435 10.038 8.288 1.00 0.86 H new ATOM 0 HA VAL B 13 -0.981 12.619 7.222 1.00 0.90 H new ATOM 0 HB VAL B 13 -3.371 12.922 7.177 1.00 0.90 H new ATOM 0 HG11 VAL B 13 -3.745 11.155 5.398 1.00 0.97 H new ATOM 0 HG12 VAL B 13 -2.157 11.946 5.260 1.00 0.97 H new ATOM 0 HG13 VAL B 13 -2.282 10.321 5.974 1.00 0.97 H new ATOM 0 HG21 VAL B 13 -4.933 11.059 7.467 1.00 0.87 H new ATOM 0 HG22 VAL B 13 -3.646 10.142 8.285 1.00 0.87 H new ATOM 0 HG23 VAL B 13 -4.236 11.667 8.988 1.00 0.87 H new ATOM 1706 N THR B 14 -1.977 12.464 10.387 1.00 0.92 N ATOM 1707 CA THR B 14 -1.991 13.219 11.651 1.00 0.97 C ATOM 1708 C THR B 14 -0.640 13.870 11.925 1.00 1.06 C ATOM 1709 O THR B 14 -0.597 15.076 12.160 1.00 1.35 O ATOM 1710 CB THR B 14 -2.412 12.292 12.799 1.00 0.96 C ATOM 1711 OG1 THR B 14 -3.768 11.987 12.610 1.00 1.27 O ATOM 1712 CG2 THR B 14 -2.283 12.925 14.185 1.00 1.21 C ATOM 0 H THR B 14 -2.173 11.470 10.504 1.00 0.92 H new ATOM 0 HA THR B 14 -2.718 14.027 11.570 1.00 0.97 H new ATOM 0 HB THR B 14 -1.753 11.424 12.774 1.00 0.96 H new ATOM 0 HG1 THR B 14 -3.850 11.235 11.987 1.00 1.27 H new ATOM 0 HG21 THR B 14 -2.599 12.208 14.943 1.00 1.21 H new ATOM 0 HG22 THR B 14 -1.245 13.206 14.362 1.00 1.21 H new ATOM 0 HG23 THR B 14 -2.913 13.813 14.240 1.00 1.21 H new ATOM 1720 N THR B 15 0.453 13.098 11.878 1.00 0.87 N ATOM 1721 CA THR B 15 1.803 13.574 12.231 1.00 0.86 C ATOM 1722 C THR B 15 2.384 14.535 11.207 1.00 0.91 C ATOM 1723 O THR B 15 3.001 15.507 11.617 1.00 1.10 O ATOM 1724 CB THR B 15 2.790 12.433 12.496 1.00 0.78 C ATOM 1725 OG1 THR B 15 2.743 11.491 11.455 1.00 1.71 O ATOM 1726 CG2 THR B 15 2.503 11.711 13.813 1.00 1.27 C ATOM 0 H THR B 15 0.429 12.119 11.593 1.00 0.87 H new ATOM 0 HA THR B 15 1.663 14.122 13.163 1.00 0.86 H new ATOM 0 HB THR B 15 3.779 12.888 12.556 1.00 0.78 H new ATOM 0 HG1 THR B 15 1.998 10.872 11.607 1.00 1.71 H new ATOM 0 HG21 THR B 15 3.230 10.911 13.955 1.00 1.27 H new ATOM 0 HG22 THR B 15 2.576 12.418 14.639 1.00 1.27 H new ATOM 0 HG23 THR B 15 1.499 11.288 13.785 1.00 1.27 H new ATOM 1734 N PHE B 16 2.144 14.353 9.905 1.00 0.85 N ATOM 1735 CA PHE B 16 2.552 15.338 8.894 1.00 0.84 C ATOM 1736 C PHE B 16 1.757 16.644 9.039 1.00 0.85 C ATOM 1737 O PHE B 16 2.332 17.730 9.023 1.00 0.85 O ATOM 1738 CB PHE B 16 2.389 14.718 7.502 1.00 0.91 C ATOM 1739 CG PHE B 16 2.908 15.552 6.341 1.00 0.94 C ATOM 1740 CD1 PHE B 16 2.179 16.660 5.872 1.00 1.89 C ATOM 1741 CD2 PHE B 16 4.098 15.182 5.687 1.00 2.40 C ATOM 1742 CE1 PHE B 16 2.615 17.361 4.737 1.00 1.84 C ATOM 1743 CE2 PHE B 16 4.514 15.856 4.523 1.00 2.51 C ATOM 1744 CZ PHE B 16 3.756 16.935 4.034 1.00 1.11 C ATOM 0 H PHE B 16 1.670 13.534 9.525 1.00 0.85 H new ATOM 0 HA PHE B 16 3.600 15.599 9.040 1.00 0.84 H new ATOM 0 HB2 PHE B 16 2.901 13.756 7.491 1.00 0.91 H new ATOM 0 HB3 PHE B 16 1.331 14.517 7.336 1.00 0.91 H new ATOM 0 HD1 PHE B 16 1.282 16.972 6.386 1.00 1.89 H new ATOM 0 HD2 PHE B 16 4.697 14.374 6.081 1.00 2.40 H new ATOM 0 HE1 PHE B 16 2.071 18.232 4.402 1.00 1.84 H new ATOM 0 HE2 PHE B 16 5.411 15.546 4.008 1.00 2.51 H new ATOM 0 HZ PHE B 16 4.049 17.434 3.122 1.00 1.11 H new ATOM 1754 N HIS B 17 0.433 16.551 9.208 1.00 0.93 N ATOM 1755 CA HIS B 17 -0.461 17.709 9.361 1.00 0.97 C ATOM 1756 C HIS B 17 -0.059 18.599 10.553 1.00 0.96 C ATOM 1757 O HIS B 17 -0.044 19.827 10.431 1.00 1.25 O ATOM 1758 CB HIS B 17 -1.892 17.164 9.474 1.00 1.01 C ATOM 1759 CG HIS B 17 -3.018 18.144 9.683 1.00 1.05 C ATOM 1760 ND1 HIS B 17 -4.287 17.791 10.087 1.00 2.15 N ATOM 1761 CD2 HIS B 17 -3.026 19.500 9.484 1.00 1.69 C ATOM 1762 CE1 HIS B 17 -5.031 18.907 10.153 1.00 2.25 C ATOM 1763 NE2 HIS B 17 -4.304 19.975 9.799 1.00 1.89 N ATOM 0 H HIS B 17 -0.057 15.657 9.243 1.00 0.93 H new ATOM 0 HA HIS B 17 -0.387 18.367 8.495 1.00 0.97 H new ATOM 0 HB2 HIS B 17 -2.106 16.602 8.565 1.00 1.01 H new ATOM 0 HB3 HIS B 17 -1.912 16.454 10.301 1.00 1.01 H new ATOM 0 HD1 HIS B 17 -4.606 16.846 10.299 1.00 2.15 H new ATOM 0 HD2 HIS B 17 -2.193 20.097 9.144 1.00 1.69 H new ATOM 0 HE1 HIS B 17 -6.069 18.939 10.450 1.00 2.25 H new ATOM 1772 N LYS B 18 0.375 17.997 11.669 1.00 0.83 N ATOM 1773 CA LYS B 18 0.934 18.654 12.866 1.00 0.82 C ATOM 1774 C LYS B 18 2.121 19.614 12.595 1.00 0.79 C ATOM 1775 O LYS B 18 2.534 20.334 13.510 1.00 1.04 O ATOM 1776 CB LYS B 18 1.360 17.541 13.853 1.00 0.97 C ATOM 1777 CG LYS B 18 1.472 17.981 15.330 1.00 1.24 C ATOM 1778 CD LYS B 18 2.690 17.369 16.062 1.00 2.03 C ATOM 1779 CE LYS B 18 3.710 18.406 16.568 1.00 3.34 C ATOM 1780 NZ LYS B 18 4.210 19.312 15.503 1.00 4.68 N ATOM 0 H LYS B 18 0.345 16.982 11.770 1.00 0.83 H new ATOM 0 HA LYS B 18 0.155 19.296 13.276 1.00 0.82 H new ATOM 0 HB2 LYS B 18 0.641 16.724 13.787 1.00 0.97 H new ATOM 0 HB3 LYS B 18 2.324 17.144 13.534 1.00 0.97 H new ATOM 0 HG2 LYS B 18 1.540 19.068 15.374 1.00 1.24 H new ATOM 0 HG3 LYS B 18 0.561 17.697 15.856 1.00 1.24 H new ATOM 0 HD2 LYS B 18 2.334 16.783 16.909 1.00 2.03 H new ATOM 0 HD3 LYS B 18 3.196 16.678 15.387 1.00 2.03 H new ATOM 0 HE2 LYS B 18 3.250 19.003 17.355 1.00 3.34 H new ATOM 0 HE3 LYS B 18 4.555 17.884 17.017 1.00 3.34 H new ATOM 0 HZ1 LYS B 18 4.668 20.138 15.937 1.00 4.68 H new ATOM 0 HZ2 LYS B 18 4.899 18.805 14.911 1.00 4.68 H new ATOM 0 HZ3 LYS B 18 3.413 19.628 14.914 1.00 4.68 H new ATOM 1794 N TYR B 19 2.703 19.602 11.391 1.00 0.73 N ATOM 1795 CA TYR B 19 3.823 20.449 10.962 1.00 0.74 C ATOM 1796 C TYR B 19 3.529 21.283 9.685 1.00 0.91 C ATOM 1797 O TYR B 19 4.367 22.079 9.284 1.00 1.67 O ATOM 1798 CB TYR B 19 5.068 19.559 10.793 1.00 0.74 C ATOM 1799 CG TYR B 19 5.643 19.002 12.084 1.00 0.71 C ATOM 1800 CD1 TYR B 19 5.085 17.857 12.667 1.00 1.90 C ATOM 1801 CD2 TYR B 19 6.775 19.584 12.687 1.00 1.92 C ATOM 1802 CE1 TYR B 19 5.646 17.302 13.830 1.00 1.93 C ATOM 1803 CE2 TYR B 19 7.331 19.052 13.860 1.00 1.99 C ATOM 1804 CZ TYR B 19 6.760 17.908 14.450 1.00 0.87 C ATOM 1805 OH TYR B 19 7.236 17.451 15.637 1.00 1.01 O ATOM 0 H TYR B 19 2.391 18.971 10.653 1.00 0.73 H new ATOM 0 HA TYR B 19 3.997 21.197 11.736 1.00 0.74 H new ATOM 0 HB2 TYR B 19 4.814 18.726 10.138 1.00 0.74 H new ATOM 0 HB3 TYR B 19 5.842 20.137 10.288 1.00 0.74 H new ATOM 0 HD1 TYR B 19 4.217 17.397 12.219 1.00 1.90 H new ATOM 0 HD2 TYR B 19 7.224 20.457 12.237 1.00 1.92 H new ATOM 0 HE1 TYR B 19 5.221 16.404 14.253 1.00 1.93 H new ATOM 0 HE2 TYR B 19 8.195 19.519 14.309 1.00 1.99 H new ATOM 0 HH TYR B 19 6.531 16.955 16.103 1.00 1.01 H new ATOM 1815 N SER B 20 2.349 21.156 9.067 1.00 0.76 N ATOM 1816 CA SER B 20 1.896 21.999 7.938 1.00 0.96 C ATOM 1817 C SER B 20 0.723 22.911 8.328 1.00 1.11 C ATOM 1818 O SER B 20 0.730 24.102 8.011 1.00 1.69 O ATOM 1819 CB SER B 20 1.510 21.113 6.744 1.00 1.22 C ATOM 1820 OG SER B 20 0.592 20.087 7.095 1.00 1.40 O ATOM 0 H SER B 20 1.663 20.452 9.338 1.00 0.76 H new ATOM 0 HA SER B 20 2.727 22.647 7.657 1.00 0.96 H new ATOM 0 HB2 SER B 20 1.072 21.734 5.963 1.00 1.22 H new ATOM 0 HB3 SER B 20 2.410 20.662 6.326 1.00 1.22 H new ATOM 0 HG SER B 20 0.390 19.544 6.304 1.00 1.40 H new ATOM 1826 N GLY B 21 -0.223 22.413 9.143 1.00 0.96 N ATOM 1827 CA GLY B 21 -1.376 23.165 9.671 1.00 1.19 C ATOM 1828 C GLY B 21 -1.022 24.295 10.650 1.00 1.35 C ATOM 1829 O GLY B 21 -1.918 24.860 11.276 1.00 1.71 O ATOM 0 H GLY B 21 -0.206 21.445 9.463 1.00 0.96 H new ATOM 0 HA2 GLY B 21 -1.927 23.591 8.833 1.00 1.19 H new ATOM 0 HA3 GLY B 21 -2.047 22.467 10.172 1.00 1.19 H new ATOM 1832 N ARG B 22 0.270 24.626 10.759 1.00 1.42 N ATOM 1833 CA ARG B 22 0.830 25.839 11.360 1.00 1.72 C ATOM 1834 C ARG B 22 0.852 27.034 10.379 1.00 1.99 C ATOM 1835 O ARG B 22 0.745 28.169 10.840 1.00 2.52 O ATOM 1836 CB ARG B 22 2.232 25.559 11.955 1.00 1.86 C ATOM 1837 CG ARG B 22 3.051 24.428 11.289 1.00 2.28 C ATOM 1838 CD ARG B 22 4.524 24.412 11.731 1.00 2.16 C ATOM 1839 NE ARG B 22 5.248 25.557 11.176 1.00 2.70 N ATOM 1840 CZ ARG B 22 6.445 26.015 11.501 1.00 3.39 C ATOM 1841 NH1 ARG B 22 7.180 25.471 12.442 1.00 3.89 N ATOM 1842 NH2 ARG B 22 6.918 27.058 10.865 1.00 4.37 N ATOM 0 H ARG B 22 1.001 24.010 10.405 1.00 1.42 H new ATOM 0 HA ARG B 22 0.167 26.130 12.175 1.00 1.72 H new ATOM 0 HB2 ARG B 22 2.815 26.479 11.903 1.00 1.86 H new ATOM 0 HB3 ARG B 22 2.112 25.317 13.011 1.00 1.86 H new ATOM 0 HG2 ARG B 22 2.595 23.467 11.529 1.00 2.28 H new ATOM 0 HG3 ARG B 22 3.004 24.542 10.206 1.00 2.28 H new ATOM 0 HD2 ARG B 22 4.582 24.433 12.819 1.00 2.16 H new ATOM 0 HD3 ARG B 22 4.996 23.485 11.405 1.00 2.16 H new ATOM 0 HE ARG B 22 4.764 26.071 10.440 1.00 2.70 H new ATOM 0 HH11 ARG B 22 6.833 24.661 12.956 1.00 3.89 H new ATOM 0 HH12 ARG B 22 8.098 25.858 12.659 1.00 3.89 H new ATOM 0 HH21 ARG B 22 6.365 27.503 10.133 1.00 4.37 H new ATOM 0 HH22 ARG B 22 7.840 27.425 11.102 1.00 4.37 H new ATOM 1856 N GLU B 23 0.879 26.800 9.060 1.00 1.83 N ATOM 1857 CA GLU B 23 0.795 27.832 8.013 1.00 2.19 C ATOM 1858 C GLU B 23 -0.357 27.579 7.020 1.00 2.16 C ATOM 1859 O GLU B 23 -0.779 28.513 6.339 1.00 3.16 O ATOM 1860 CB GLU B 23 2.121 27.939 7.230 1.00 2.65 C ATOM 1861 CG GLU B 23 3.238 28.736 7.938 1.00 3.45 C ATOM 1862 CD GLU B 23 4.162 27.900 8.824 1.00 4.00 C ATOM 1863 OE1 GLU B 23 3.701 26.891 9.390 1.00 4.70 O ATOM 1864 OE2 GLU B 23 5.353 28.260 8.964 1.00 4.71 O ATOM 0 H GLU B 23 0.963 25.858 8.678 1.00 1.83 H new ATOM 0 HA GLU B 23 0.596 28.770 8.532 1.00 2.19 H new ATOM 0 HB2 GLU B 23 2.487 26.933 7.027 1.00 2.65 H new ATOM 0 HB3 GLU B 23 1.919 28.405 6.266 1.00 2.65 H new ATOM 0 HG2 GLU B 23 3.841 29.239 7.182 1.00 3.45 H new ATOM 0 HG3 GLU B 23 2.779 29.513 8.548 1.00 3.45 H new ATOM 1871 N GLY B 24 -0.892 26.351 6.930 1.00 2.62 N ATOM 1872 CA GLY B 24 -2.005 25.989 6.048 1.00 3.07 C ATOM 1873 C GLY B 24 -1.733 24.685 5.303 1.00 2.52 C ATOM 1874 O GLY B 24 -1.482 23.665 5.940 1.00 3.74 O ATOM 0 H GLY B 24 -0.552 25.565 7.484 1.00 2.62 H new ATOM 0 HA2 GLY B 24 -2.918 25.889 6.636 1.00 3.07 H new ATOM 0 HA3 GLY B 24 -2.175 26.790 5.329 1.00 3.07 H new ATOM 1877 N SER B 25 -1.840 24.732 3.970 1.00 1.82 N ATOM 1878 CA SER B 25 -1.225 23.785 3.013 1.00 1.45 C ATOM 1879 C SER B 25 -1.122 22.313 3.473 1.00 1.59 C ATOM 1880 O SER B 25 -0.031 21.766 3.569 1.00 2.11 O ATOM 1881 CB SER B 25 0.146 24.344 2.563 1.00 1.99 C ATOM 1882 OG SER B 25 1.075 24.452 3.627 1.00 3.52 O ATOM 0 H SER B 25 -2.379 25.460 3.502 1.00 1.82 H new ATOM 0 HA SER B 25 -1.916 23.722 2.172 1.00 1.45 H new ATOM 0 HB2 SER B 25 0.560 23.697 1.790 1.00 1.99 H new ATOM 0 HB3 SER B 25 0.002 25.326 2.113 1.00 1.99 H new ATOM 0 HG SER B 25 1.635 23.648 3.655 1.00 3.52 H new ATOM 1888 N LYS B 26 -2.226 21.608 3.788 1.00 1.44 N ATOM 1889 CA LYS B 26 -2.101 20.480 4.735 1.00 1.43 C ATOM 1890 C LYS B 26 -1.390 19.235 4.141 1.00 1.45 C ATOM 1891 O LYS B 26 -1.038 18.300 4.860 1.00 1.69 O ATOM 1892 CB LYS B 26 -3.477 20.232 5.394 1.00 1.54 C ATOM 1893 CG LYS B 26 -3.770 21.382 6.384 1.00 1.66 C ATOM 1894 CD LYS B 26 -5.139 21.339 7.074 1.00 1.94 C ATOM 1895 CE LYS B 26 -6.192 22.144 6.307 1.00 1.55 C ATOM 1896 NZ LYS B 26 -7.465 22.238 7.059 1.00 2.36 N ATOM 0 H LYS B 26 -3.164 21.783 3.426 1.00 1.44 H new ATOM 0 HA LYS B 26 -1.410 20.747 5.534 1.00 1.43 H new ATOM 0 HB2 LYS B 26 -4.256 20.181 4.633 1.00 1.54 H new ATOM 0 HB3 LYS B 26 -3.478 19.275 5.916 1.00 1.54 H new ATOM 0 HG2 LYS B 26 -2.997 21.380 7.153 1.00 1.66 H new ATOM 0 HG3 LYS B 26 -3.684 22.327 5.848 1.00 1.66 H new ATOM 0 HD2 LYS B 26 -5.468 20.304 7.163 1.00 1.94 H new ATOM 0 HD3 LYS B 26 -5.048 21.733 8.086 1.00 1.94 H new ATOM 0 HE2 LYS B 26 -5.811 23.146 6.109 1.00 1.55 H new ATOM 0 HE3 LYS B 26 -6.374 21.676 5.340 1.00 1.55 H new ATOM 0 HZ1 LYS B 26 -7.825 23.213 7.012 1.00 2.36 H new ATOM 0 HZ2 LYS B 26 -8.163 21.590 6.642 1.00 2.36 H new ATOM 0 HZ3 LYS B 26 -7.301 21.977 8.052 1.00 2.36 H new ATOM 1910 N LEU B 27 -1.129 19.267 2.828 1.00 1.40 N ATOM 1911 CA LEU B 27 -0.402 18.273 2.043 1.00 1.49 C ATOM 1912 C LEU B 27 1.105 18.579 1.903 1.00 1.26 C ATOM 1913 O LEU B 27 1.837 17.664 1.531 1.00 1.31 O ATOM 1914 CB LEU B 27 -1.035 18.179 0.637 1.00 1.87 C ATOM 1915 CG LEU B 27 -2.578 18.210 0.547 1.00 2.07 C ATOM 1916 CD1 LEU B 27 -2.994 17.926 -0.903 1.00 2.51 C ATOM 1917 CD2 LEU B 27 -3.276 17.221 1.489 1.00 2.57 C ATOM 0 H LEU B 27 -1.445 20.045 2.249 1.00 1.40 H new ATOM 0 HA LEU B 27 -0.481 17.327 2.579 1.00 1.49 H new ATOM 0 HB2 LEU B 27 -0.646 19.002 0.037 1.00 1.87 H new ATOM 0 HB3 LEU B 27 -0.689 17.255 0.173 1.00 1.87 H new ATOM 0 HG LEU B 27 -2.896 19.203 0.865 1.00 2.07 H new ATOM 0 HD11 LEU B 27 -4.081 17.945 -0.980 1.00 2.51 H new ATOM 0 HD12 LEU B 27 -2.570 18.687 -1.559 1.00 2.51 H new ATOM 0 HD13 LEU B 27 -2.626 16.944 -1.201 1.00 2.51 H new ATOM 0 HD21 LEU B 27 -4.356 17.303 1.367 1.00 2.57 H new ATOM 0 HD22 LEU B 27 -2.960 16.206 1.250 1.00 2.57 H new ATOM 0 HD23 LEU B 27 -3.009 17.451 2.521 1.00 2.57 H new ATOM 1929 N THR B 28 1.564 19.819 2.158 1.00 1.13 N ATOM 1930 CA THR B 28 2.938 20.275 1.880 1.00 1.07 C ATOM 1931 C THR B 28 3.552 21.096 3.014 1.00 1.12 C ATOM 1932 O THR B 28 2.854 21.813 3.733 1.00 1.36 O ATOM 1933 CB THR B 28 3.041 21.059 0.559 1.00 1.07 C ATOM 1934 OG1 THR B 28 2.147 22.145 0.528 1.00 1.19 O ATOM 1935 CG2 THR B 28 2.766 20.186 -0.663 1.00 1.16 C ATOM 0 H THR B 28 0.979 20.545 2.571 1.00 1.13 H new ATOM 0 HA THR B 28 3.516 19.356 1.790 1.00 1.07 H new ATOM 0 HB THR B 28 4.069 21.419 0.518 1.00 1.07 H new ATOM 0 HG1 THR B 28 2.587 22.919 0.118 1.00 1.19 H new ATOM 0 HG21 THR B 28 2.852 20.788 -1.567 1.00 1.16 H new ATOM 0 HG22 THR B 28 3.490 19.372 -0.699 1.00 1.16 H new ATOM 0 HG23 THR B 28 1.759 19.773 -0.596 1.00 1.16 H new ATOM 1943 N LEU B 29 4.880 21.004 3.179 1.00 0.97 N ATOM 1944 CA LEU B 29 5.647 21.794 4.166 1.00 0.97 C ATOM 1945 C LEU B 29 7.133 21.971 3.834 1.00 0.90 C ATOM 1946 O LEU B 29 7.714 21.227 3.046 1.00 1.00 O ATOM 1947 CB LEU B 29 5.477 21.247 5.607 1.00 0.89 C ATOM 1948 CG LEU B 29 6.460 20.135 6.044 1.00 0.75 C ATOM 1949 CD1 LEU B 29 6.252 19.825 7.527 1.00 1.01 C ATOM 1950 CD2 LEU B 29 6.270 18.848 5.239 1.00 0.67 C ATOM 0 H LEU B 29 5.462 20.374 2.627 1.00 0.97 H new ATOM 0 HA LEU B 29 5.207 22.789 4.108 1.00 0.97 H new ATOM 0 HB2 LEU B 29 5.574 22.081 6.302 1.00 0.89 H new ATOM 0 HB3 LEU B 29 4.462 20.864 5.709 1.00 0.89 H new ATOM 0 HG LEU B 29 7.470 20.502 5.862 1.00 0.75 H new ATOM 0 HD11 LEU B 29 6.944 19.042 7.836 1.00 1.01 H new ATOM 0 HD12 LEU B 29 6.435 20.724 8.116 1.00 1.01 H new ATOM 0 HD13 LEU B 29 5.228 19.488 7.688 1.00 1.01 H new ATOM 0 HD21 LEU B 29 6.982 18.097 5.581 1.00 0.67 H new ATOM 0 HD22 LEU B 29 5.255 18.477 5.380 1.00 0.67 H new ATOM 0 HD23 LEU B 29 6.438 19.052 4.182 1.00 0.67 H new ATOM 1962 N SER B 30 7.767 22.927 4.512 1.00 0.85 N ATOM 1963 CA SER B 30 9.189 23.245 4.365 1.00 0.83 C ATOM 1964 C SER B 30 10.145 22.118 4.810 1.00 0.78 C ATOM 1965 O SER B 30 10.044 21.598 5.930 1.00 0.84 O ATOM 1966 CB SER B 30 9.515 24.510 5.166 1.00 0.86 C ATOM 1967 OG SER B 30 8.664 25.590 4.823 1.00 2.23 O ATOM 0 H SER B 30 7.295 23.518 5.197 1.00 0.85 H new ATOM 0 HA SER B 30 9.352 23.388 3.297 1.00 0.83 H new ATOM 0 HB2 SER B 30 9.421 24.299 6.231 1.00 0.86 H new ATOM 0 HB3 SER B 30 10.552 24.795 4.988 1.00 0.86 H new ATOM 0 HG SER B 30 8.974 25.999 3.988 1.00 2.23 H new ATOM 1973 N ARG B 31 11.173 21.818 3.998 1.00 0.86 N ATOM 1974 CA ARG B 31 12.240 20.834 4.298 1.00 0.91 C ATOM 1975 C ARG B 31 12.806 20.918 5.737 1.00 0.87 C ATOM 1976 O ARG B 31 13.104 19.907 6.373 1.00 1.01 O ATOM 1977 CB ARG B 31 13.444 20.949 3.326 1.00 1.25 C ATOM 1978 CG ARG B 31 13.352 21.696 1.977 1.00 1.26 C ATOM 1979 CD ARG B 31 12.970 20.812 0.793 1.00 1.09 C ATOM 1980 NE ARG B 31 14.062 19.873 0.445 1.00 1.71 N ATOM 1981 CZ ARG B 31 13.942 18.754 -0.265 1.00 2.02 C ATOM 1982 NH1 ARG B 31 12.805 18.419 -0.829 1.00 2.19 N ATOM 1983 NH2 ARG B 31 14.955 17.924 -0.413 1.00 2.87 N ATOM 0 H ARG B 31 11.293 22.263 3.088 1.00 0.86 H new ATOM 0 HA ARG B 31 11.731 19.878 4.177 1.00 0.91 H new ATOM 0 HB2 ARG B 31 14.254 21.416 3.886 1.00 1.25 H new ATOM 0 HB3 ARG B 31 13.759 19.931 3.098 1.00 1.25 H new ATOM 0 HG2 ARG B 31 12.619 22.497 2.068 1.00 1.26 H new ATOM 0 HG3 ARG B 31 14.313 22.166 1.769 1.00 1.26 H new ATOM 0 HD2 ARG B 31 12.067 20.250 1.033 1.00 1.09 H new ATOM 0 HD3 ARG B 31 12.737 21.437 -0.069 1.00 1.09 H new ATOM 0 HE ARG B 31 14.996 20.107 0.782 1.00 1.71 H new ATOM 0 HH11 ARG B 31 11.988 19.022 -0.728 1.00 2.19 H new ATOM 0 HH12 ARG B 31 12.738 17.556 -1.368 1.00 2.19 H new ATOM 0 HH21 ARG B 31 15.854 18.134 0.021 1.00 2.87 H new ATOM 0 HH22 ARG B 31 14.840 17.072 -0.962 1.00 2.87 H new ATOM 1997 N LYS B 32 12.983 22.141 6.246 1.00 0.87 N ATOM 1998 CA LYS B 32 13.553 22.499 7.550 1.00 0.91 C ATOM 1999 C LYS B 32 12.632 22.183 8.740 1.00 0.94 C ATOM 2000 O LYS B 32 13.123 22.006 9.851 1.00 1.29 O ATOM 2001 CB LYS B 32 13.893 23.990 7.461 1.00 1.09 C ATOM 2002 CG LYS B 32 14.691 24.531 8.658 1.00 1.57 C ATOM 2003 CD LYS B 32 15.324 25.889 8.323 1.00 2.18 C ATOM 2004 CE LYS B 32 14.265 26.943 7.971 1.00 3.16 C ATOM 2005 NZ LYS B 32 14.839 28.160 7.355 1.00 4.55 N ATOM 0 H LYS B 32 12.711 22.970 5.718 1.00 0.87 H new ATOM 0 HA LYS B 32 14.437 21.894 7.750 1.00 0.91 H new ATOM 0 HB2 LYS B 32 14.464 24.166 6.549 1.00 1.09 H new ATOM 0 HB3 LYS B 32 12.966 24.557 7.371 1.00 1.09 H new ATOM 0 HG2 LYS B 32 14.034 24.634 9.522 1.00 1.57 H new ATOM 0 HG3 LYS B 32 15.470 23.820 8.933 1.00 1.57 H new ATOM 0 HD2 LYS B 32 15.912 26.235 9.173 1.00 2.18 H new ATOM 0 HD3 LYS B 32 16.012 25.772 7.486 1.00 2.18 H new ATOM 0 HE2 LYS B 32 13.538 26.505 7.287 1.00 3.16 H new ATOM 0 HE3 LYS B 32 13.724 27.221 8.875 1.00 3.16 H new ATOM 0 HZ1 LYS B 32 14.078 28.725 6.927 1.00 4.55 H new ATOM 0 HZ2 LYS B 32 15.321 28.724 8.084 1.00 4.55 H new ATOM 0 HZ3 LYS B 32 15.523 27.888 6.620 1.00 4.55 H new ATOM 2019 N GLU B 33 11.329 22.074 8.487 1.00 0.84 N ATOM 2020 CA GLU B 33 10.331 21.663 9.469 1.00 0.84 C ATOM 2021 C GLU B 33 10.166 20.131 9.465 1.00 0.79 C ATOM 2022 O GLU B 33 10.137 19.498 10.520 1.00 0.84 O ATOM 2023 CB GLU B 33 9.021 22.401 9.132 1.00 0.96 C ATOM 2024 CG GLU B 33 7.926 22.204 10.178 1.00 1.07 C ATOM 2025 CD GLU B 33 8.188 22.884 11.527 1.00 1.85 C ATOM 2026 OE1 GLU B 33 9.204 23.602 11.671 1.00 2.96 O ATOM 2027 OE2 GLU B 33 7.287 22.784 12.397 1.00 2.56 O ATOM 0 H GLU B 33 10.930 22.274 7.570 1.00 0.84 H new ATOM 0 HA GLU B 33 10.640 21.927 10.480 1.00 0.84 H new ATOM 0 HB2 GLU B 33 9.229 23.466 9.031 1.00 0.96 H new ATOM 0 HB3 GLU B 33 8.656 22.054 8.165 1.00 0.96 H new ATOM 0 HG2 GLU B 33 6.987 22.582 9.774 1.00 1.07 H new ATOM 0 HG3 GLU B 33 7.794 21.135 10.347 1.00 1.07 H new ATOM 2034 N LEU B 34 10.156 19.501 8.278 1.00 0.72 N ATOM 2035 CA LEU B 34 10.039 18.041 8.151 1.00 0.70 C ATOM 2036 C LEU B 34 11.186 17.320 8.875 1.00 0.65 C ATOM 2037 O LEU B 34 10.958 16.338 9.585 1.00 0.70 O ATOM 2038 CB LEU B 34 9.968 17.655 6.659 1.00 0.76 C ATOM 2039 CG LEU B 34 9.763 16.141 6.424 1.00 1.01 C ATOM 2040 CD1 LEU B 34 8.500 15.591 7.095 1.00 1.48 C ATOM 2041 CD2 LEU B 34 9.722 15.812 4.930 1.00 1.28 C ATOM 0 H LEU B 34 10.228 19.988 7.385 1.00 0.72 H new ATOM 0 HA LEU B 34 9.117 17.718 8.635 1.00 0.70 H new ATOM 0 HB2 LEU B 34 9.151 18.202 6.189 1.00 0.76 H new ATOM 0 HB3 LEU B 34 10.888 17.970 6.166 1.00 0.76 H new ATOM 0 HG LEU B 34 10.623 15.656 6.886 1.00 1.01 H new ATOM 0 HD11 LEU B 34 8.415 14.524 6.891 1.00 1.48 H new ATOM 0 HD12 LEU B 34 8.561 15.751 8.171 1.00 1.48 H new ATOM 0 HD13 LEU B 34 7.624 16.106 6.700 1.00 1.48 H new ATOM 0 HD21 LEU B 34 9.577 14.740 4.797 1.00 1.28 H new ATOM 0 HD22 LEU B 34 8.898 16.350 4.461 1.00 1.28 H new ATOM 0 HD23 LEU B 34 10.662 16.111 4.466 1.00 1.28 H new ATOM 2053 N LYS B 35 12.424 17.818 8.743 1.00 0.67 N ATOM 2054 CA LYS B 35 13.585 17.265 9.451 1.00 0.76 C ATOM 2055 C LYS B 35 13.424 17.271 10.984 1.00 0.80 C ATOM 2056 O LYS B 35 14.008 16.415 11.645 1.00 0.85 O ATOM 2057 CB LYS B 35 14.877 17.950 8.982 1.00 0.95 C ATOM 2058 CG LYS B 35 15.037 19.399 9.451 1.00 1.27 C ATOM 2059 CD LYS B 35 16.323 20.054 8.935 1.00 1.35 C ATOM 2060 CE LYS B 35 17.575 19.518 9.643 1.00 1.81 C ATOM 2061 NZ LYS B 35 18.817 20.061 9.037 1.00 2.61 N ATOM 0 H LYS B 35 12.647 18.613 8.144 1.00 0.67 H new ATOM 0 HA LYS B 35 13.654 16.210 9.187 1.00 0.76 H new ATOM 0 HB2 LYS B 35 15.729 17.371 9.337 1.00 0.95 H new ATOM 0 HB3 LYS B 35 14.909 17.929 7.893 1.00 0.95 H new ATOM 0 HG2 LYS B 35 14.179 19.981 9.115 1.00 1.27 H new ATOM 0 HG3 LYS B 35 15.034 19.425 10.541 1.00 1.27 H new ATOM 0 HD2 LYS B 35 16.412 19.879 7.863 1.00 1.35 H new ATOM 0 HD3 LYS B 35 16.261 21.133 9.078 1.00 1.35 H new ATOM 0 HE2 LYS B 35 17.538 19.783 10.700 1.00 1.81 H new ATOM 0 HE3 LYS B 35 17.588 18.429 9.588 1.00 1.81 H new ATOM 0 HZ1 LYS B 35 19.595 20.000 9.725 1.00 2.61 H new ATOM 0 HZ2 LYS B 35 19.060 19.509 8.190 1.00 2.61 H new ATOM 0 HZ3 LYS B 35 18.668 21.055 8.771 1.00 2.61 H new ATOM 2075 N GLU B 36 12.627 18.189 11.542 1.00 0.84 N ATOM 2076 CA GLU B 36 12.309 18.245 12.967 1.00 0.92 C ATOM 2077 C GLU B 36 11.142 17.306 13.356 1.00 0.78 C ATOM 2078 O GLU B 36 11.194 16.653 14.395 1.00 0.89 O ATOM 2079 CB GLU B 36 12.070 19.719 13.336 1.00 1.12 C ATOM 2080 CG GLU B 36 12.064 20.011 14.837 1.00 1.36 C ATOM 2081 CD GLU B 36 13.423 19.805 15.515 1.00 2.38 C ATOM 2082 OE1 GLU B 36 13.917 18.658 15.560 1.00 3.53 O ATOM 2083 OE2 GLU B 36 13.899 20.714 16.225 1.00 2.82 O ATOM 0 H GLU B 36 12.177 18.928 11.001 1.00 0.84 H new ATOM 0 HA GLU B 36 13.146 17.866 13.553 1.00 0.92 H new ATOM 0 HB2 GLU B 36 12.842 20.327 12.865 1.00 1.12 H new ATOM 0 HB3 GLU B 36 11.115 20.034 12.915 1.00 1.12 H new ATOM 0 HG2 GLU B 36 11.742 21.040 14.996 1.00 1.36 H new ATOM 0 HG3 GLU B 36 11.327 19.369 15.319 1.00 1.36 H new ATOM 2090 N LEU B 37 10.135 17.118 12.490 1.00 0.70 N ATOM 2091 CA LEU B 37 9.146 16.027 12.585 1.00 0.68 C ATOM 2092 C LEU B 37 9.834 14.644 12.654 1.00 0.66 C ATOM 2093 O LEU B 37 9.544 13.845 13.550 1.00 0.82 O ATOM 2094 CB LEU B 37 8.155 16.236 11.415 1.00 0.67 C ATOM 2095 CG LEU B 37 7.282 15.077 10.900 1.00 0.63 C ATOM 2096 CD1 LEU B 37 6.447 14.349 11.941 1.00 1.20 C ATOM 2097 CD2 LEU B 37 6.303 15.615 9.840 1.00 1.15 C ATOM 0 H LEU B 37 9.980 17.730 11.689 1.00 0.70 H new ATOM 0 HA LEU B 37 8.577 16.051 13.514 1.00 0.68 H new ATOM 0 HB2 LEU B 37 7.479 17.039 11.708 1.00 0.67 H new ATOM 0 HB3 LEU B 37 8.734 16.601 10.567 1.00 0.67 H new ATOM 0 HG LEU B 37 8.000 14.353 10.515 1.00 0.63 H new ATOM 0 HD11 LEU B 37 5.876 13.555 11.459 1.00 1.20 H new ATOM 0 HD12 LEU B 37 7.103 13.917 12.696 1.00 1.20 H new ATOM 0 HD13 LEU B 37 5.762 15.052 12.415 1.00 1.20 H new ATOM 0 HD21 LEU B 37 5.682 14.799 9.471 1.00 1.15 H new ATOM 0 HD22 LEU B 37 5.669 16.381 10.286 1.00 1.15 H new ATOM 0 HD23 LEU B 37 6.865 16.046 9.011 1.00 1.15 H new ATOM 2109 N ILE B 38 10.829 14.418 11.786 1.00 0.57 N ATOM 2110 CA ILE B 38 11.745 13.250 11.750 1.00 0.69 C ATOM 2111 C ILE B 38 12.547 13.036 13.052 1.00 0.76 C ATOM 2112 O ILE B 38 13.118 11.962 13.251 1.00 1.27 O ATOM 2113 CB ILE B 38 12.660 13.402 10.507 1.00 0.84 C ATOM 2114 CG1 ILE B 38 11.832 13.122 9.238 1.00 1.04 C ATOM 2115 CG2 ILE B 38 13.930 12.527 10.503 1.00 1.59 C ATOM 2116 CD1 ILE B 38 12.423 13.791 7.994 1.00 1.41 C ATOM 0 H ILE B 38 11.036 15.082 11.040 1.00 0.57 H new ATOM 0 HA ILE B 38 11.146 12.343 11.670 1.00 0.69 H new ATOM 0 HB ILE B 38 13.028 14.428 10.537 1.00 0.84 H new ATOM 0 HG12 ILE B 38 11.775 12.046 9.075 1.00 1.04 H new ATOM 0 HG13 ILE B 38 10.812 13.477 9.388 1.00 1.04 H new ATOM 0 HG21 ILE B 38 14.496 12.712 9.590 1.00 1.59 H new ATOM 0 HG22 ILE B 38 14.545 12.775 11.368 1.00 1.59 H new ATOM 0 HG23 ILE B 38 13.647 11.475 10.548 1.00 1.59 H new ATOM 0 HD11 ILE B 38 11.802 13.562 7.128 1.00 1.41 H new ATOM 0 HD12 ILE B 38 12.456 14.870 8.142 1.00 1.41 H new ATOM 0 HD13 ILE B 38 13.433 13.417 7.825 1.00 1.41 H new ATOM 2128 N LYS B 39 12.608 14.044 13.921 1.00 0.79 N ATOM 2129 CA LYS B 39 13.318 14.008 15.205 1.00 0.91 C ATOM 2130 C LYS B 39 12.437 14.021 16.465 1.00 1.06 C ATOM 2131 O LYS B 39 12.897 13.585 17.525 1.00 1.35 O ATOM 2132 CB LYS B 39 14.272 15.217 15.224 1.00 1.11 C ATOM 2133 CG LYS B 39 15.675 14.908 14.693 1.00 1.17 C ATOM 2134 CD LYS B 39 16.449 13.831 15.471 1.00 1.55 C ATOM 2135 CE LYS B 39 16.476 14.074 16.990 1.00 3.02 C ATOM 2136 NZ LYS B 39 17.267 13.036 17.687 1.00 3.37 N ATOM 0 H LYS B 39 12.150 14.939 13.748 1.00 0.79 H new ATOM 0 HA LYS B 39 13.831 13.048 15.255 1.00 0.91 H new ATOM 0 HB2 LYS B 39 13.837 16.020 14.629 1.00 1.11 H new ATOM 0 HB3 LYS B 39 14.354 15.587 16.246 1.00 1.11 H new ATOM 0 HG2 LYS B 39 15.591 14.592 13.653 1.00 1.17 H new ATOM 0 HG3 LYS B 39 16.259 15.828 14.700 1.00 1.17 H new ATOM 0 HD2 LYS B 39 15.999 12.858 15.274 1.00 1.55 H new ATOM 0 HD3 LYS B 39 17.473 13.790 15.099 1.00 1.55 H new ATOM 0 HE2 LYS B 39 16.900 15.057 17.196 1.00 3.02 H new ATOM 0 HE3 LYS B 39 15.457 14.079 17.378 1.00 3.02 H new ATOM 0 HZ1 LYS B 39 17.496 13.361 18.648 1.00 3.37 H new ATOM 0 HZ2 LYS B 39 16.714 12.157 17.742 1.00 3.37 H new ATOM 0 HZ3 LYS B 39 18.147 12.860 17.162 1.00 3.37 H new ATOM 2150 N LYS B 40 11.226 14.582 16.392 1.00 0.95 N ATOM 2151 CA LYS B 40 10.303 14.743 17.528 1.00 1.04 C ATOM 2152 C LYS B 40 9.250 13.637 17.577 1.00 1.12 C ATOM 2153 O LYS B 40 9.129 12.977 18.608 1.00 1.28 O ATOM 2154 CB LYS B 40 9.641 16.133 17.462 1.00 1.10 C ATOM 2155 CG LYS B 40 10.363 17.220 18.263 1.00 1.52 C ATOM 2156 CD LYS B 40 11.845 17.371 17.907 1.00 1.74 C ATOM 2157 CE LYS B 40 12.366 18.673 18.513 1.00 1.97 C ATOM 2158 NZ LYS B 40 13.810 18.856 18.248 1.00 2.85 N ATOM 0 H LYS B 40 10.847 14.948 15.519 1.00 0.95 H new ATOM 0 HA LYS B 40 10.882 14.662 18.448 1.00 1.04 H new ATOM 0 HB2 LYS B 40 9.585 16.445 16.419 1.00 1.10 H new ATOM 0 HB3 LYS B 40 8.617 16.051 17.826 1.00 1.10 H new ATOM 0 HG2 LYS B 40 9.861 18.173 18.098 1.00 1.52 H new ATOM 0 HG3 LYS B 40 10.276 16.993 19.326 1.00 1.52 H new ATOM 0 HD2 LYS B 40 12.413 16.523 18.289 1.00 1.74 H new ATOM 0 HD3 LYS B 40 11.974 17.380 16.825 1.00 1.74 H new ATOM 0 HE2 LYS B 40 11.810 19.515 18.101 1.00 1.97 H new ATOM 0 HE3 LYS B 40 12.190 18.671 19.589 1.00 1.97 H new ATOM 0 HZ1 LYS B 40 13.998 19.854 18.024 1.00 2.85 H new ATOM 0 HZ2 LYS B 40 14.355 18.581 19.090 1.00 2.85 H new ATOM 0 HZ3 LYS B 40 14.093 18.261 17.443 1.00 2.85 H new ATOM 2172 N GLU B 41 8.537 13.399 16.470 1.00 1.20 N ATOM 2173 CA GLU B 41 7.545 12.319 16.413 1.00 1.44 C ATOM 2174 C GLU B 41 8.230 10.962 16.192 1.00 1.36 C ATOM 2175 O GLU B 41 7.680 9.920 16.555 1.00 1.52 O ATOM 2176 CB GLU B 41 6.502 12.558 15.309 1.00 1.91 C ATOM 2177 CG GLU B 41 5.957 13.983 15.179 1.00 2.53 C ATOM 2178 CD GLU B 41 5.331 14.553 16.441 1.00 4.54 C ATOM 2179 OE1 GLU B 41 4.533 13.835 17.076 1.00 5.30 O ATOM 2180 OE2 GLU B 41 5.588 15.752 16.701 1.00 5.84 O ATOM 0 H GLU B 41 8.627 13.935 15.607 1.00 1.20 H new ATOM 0 HA GLU B 41 7.028 12.310 17.373 1.00 1.44 H new ATOM 0 HB2 GLU B 41 6.945 12.274 14.354 1.00 1.91 H new ATOM 0 HB3 GLU B 41 5.662 11.886 15.483 1.00 1.91 H new ATOM 0 HG2 GLU B 41 6.770 14.639 14.867 1.00 2.53 H new ATOM 0 HG3 GLU B 41 5.212 13.999 14.384 1.00 2.53 H new ATOM 2187 N LEU B 42 9.446 10.964 15.626 1.00 1.30 N ATOM 2188 CA LEU B 42 10.320 9.801 15.526 1.00 1.37 C ATOM 2189 C LEU B 42 11.600 10.050 16.322 1.00 1.33 C ATOM 2190 O LEU B 42 12.430 10.879 15.957 1.00 1.35 O ATOM 2191 CB LEU B 42 10.597 9.502 14.044 1.00 1.58 C ATOM 2192 CG LEU B 42 11.574 8.337 13.794 1.00 1.53 C ATOM 2193 CD1 LEU B 42 11.162 7.031 14.493 1.00 1.81 C ATOM 2194 CD2 LEU B 42 11.686 8.069 12.287 1.00 3.23 C ATOM 0 H LEU B 42 9.854 11.803 15.215 1.00 1.30 H new ATOM 0 HA LEU B 42 9.840 8.922 15.956 1.00 1.37 H new ATOM 0 HB2 LEU B 42 9.652 9.278 13.550 1.00 1.58 H new ATOM 0 HB3 LEU B 42 10.997 10.401 13.575 1.00 1.58 H new ATOM 0 HG LEU B 42 12.531 8.646 14.215 1.00 1.53 H new ATOM 0 HD11 LEU B 42 11.894 6.254 14.274 1.00 1.81 H new ATOM 0 HD12 LEU B 42 11.117 7.193 15.570 1.00 1.81 H new ATOM 0 HD13 LEU B 42 10.182 6.718 14.132 1.00 1.81 H new ATOM 0 HD21 LEU B 42 12.378 7.245 12.114 1.00 3.23 H new ATOM 0 HD22 LEU B 42 10.705 7.809 11.890 1.00 3.23 H new ATOM 0 HD23 LEU B 42 12.055 8.963 11.785 1.00 3.23 H new ATOM 2206 N CYS B 43 11.787 9.290 17.399 1.00 1.59 N ATOM 2207 CA CYS B 43 13.033 9.295 18.163 1.00 1.67 C ATOM 2208 C CYS B 43 14.147 8.497 17.447 1.00 1.85 C ATOM 2209 O CYS B 43 14.023 8.123 16.275 1.00 3.10 O ATOM 2210 CB CYS B 43 12.737 8.777 19.587 1.00 1.89 C ATOM 2211 SG CYS B 43 11.315 9.642 20.318 1.00 4.03 S ATOM 0 H CYS B 43 11.080 8.654 17.767 1.00 1.59 H new ATOM 0 HA CYS B 43 13.418 10.312 18.239 1.00 1.67 H new ATOM 0 HB2 CYS B 43 12.537 7.706 19.553 1.00 1.89 H new ATOM 0 HB3 CYS B 43 13.615 8.917 20.218 1.00 1.89 H new ATOM 0 HG CYS B 43 11.093 9.180 21.513 1.00 4.03 H new ATOM 2217 N LEU B 44 15.261 8.226 18.137 1.00 1.95 N ATOM 2218 CA LEU B 44 16.370 7.334 17.728 1.00 2.33 C ATOM 2219 C LEU B 44 17.325 8.003 16.724 1.00 2.47 C ATOM 2220 O LEU B 44 18.402 7.474 16.452 1.00 3.26 O ATOM 2221 CB LEU B 44 15.847 5.984 17.174 1.00 3.32 C ATOM 2222 CG LEU B 44 14.909 5.202 18.121 1.00 4.58 C ATOM 2223 CD1 LEU B 44 13.682 4.712 17.338 1.00 5.14 C ATOM 2224 CD2 LEU B 44 15.629 4.027 18.790 1.00 5.95 C ATOM 0 H LEU B 44 15.430 8.645 19.052 1.00 1.95 H new ATOM 0 HA LEU B 44 16.944 7.129 18.632 1.00 2.33 H new ATOM 0 HB2 LEU B 44 15.318 6.174 16.240 1.00 3.32 H new ATOM 0 HB3 LEU B 44 16.702 5.353 16.933 1.00 3.32 H new ATOM 0 HG LEU B 44 14.587 5.874 18.916 1.00 4.58 H new ATOM 0 HD11 LEU B 44 13.021 4.160 18.006 1.00 5.14 H new ATOM 0 HD12 LEU B 44 13.149 5.568 16.925 1.00 5.14 H new ATOM 0 HD13 LEU B 44 14.005 4.059 16.527 1.00 5.14 H new ATOM 0 HD21 LEU B 44 14.936 3.503 19.448 1.00 5.95 H new ATOM 0 HD22 LEU B 44 15.993 3.341 18.026 1.00 5.95 H new ATOM 0 HD23 LEU B 44 16.471 4.400 19.373 1.00 5.95 H new ATOM 2236 N GLY B 45 16.951 9.163 16.161 1.00 2.97 N ATOM 2237 CA GLY B 45 17.732 10.034 15.264 1.00 4.07 C ATOM 2238 C GLY B 45 18.916 10.716 15.958 1.00 3.90 C ATOM 2239 O GLY B 45 19.088 11.926 15.854 1.00 4.94 O ATOM 0 H GLY B 45 16.022 9.547 16.334 1.00 2.97 H new ATOM 0 HA2 GLY B 45 18.103 9.442 14.427 1.00 4.07 H new ATOM 0 HA3 GLY B 45 17.075 10.798 14.848 1.00 4.07 H new ATOM 2242 N GLU B 46 19.675 9.915 16.695 1.00 3.16 N ATOM 2243 CA GLU B 46 20.944 10.177 17.366 1.00 3.61 C ATOM 2244 C GLU B 46 21.845 8.917 17.381 1.00 3.24 C ATOM 2245 O GLU B 46 22.959 8.989 17.882 1.00 4.11 O ATOM 2246 CB GLU B 46 20.708 10.742 18.787 1.00 4.30 C ATOM 2247 CG GLU B 46 19.601 10.069 19.622 1.00 4.18 C ATOM 2248 CD GLU B 46 18.250 10.774 19.450 1.00 4.94 C ATOM 2249 OE1 GLU B 46 18.109 11.924 19.918 1.00 6.01 O ATOM 2250 OE2 GLU B 46 17.370 10.249 18.730 1.00 5.12 O ATOM 0 H GLU B 46 19.381 8.952 16.856 1.00 3.16 H new ATOM 0 HA GLU B 46 21.478 10.939 16.798 1.00 3.61 H new ATOM 0 HB2 GLU B 46 21.644 10.671 19.342 1.00 4.30 H new ATOM 0 HB3 GLU B 46 20.470 11.802 18.697 1.00 4.30 H new ATOM 0 HG2 GLU B 46 19.506 9.024 19.325 1.00 4.18 H new ATOM 0 HG3 GLU B 46 19.884 10.077 20.675 1.00 4.18 H new ATOM 2257 N MET B 47 21.413 7.773 16.812 1.00 2.51 N ATOM 2258 CA MET B 47 22.207 6.523 16.746 1.00 2.74 C ATOM 2259 C MET B 47 21.828 5.527 15.633 1.00 1.78 C ATOM 2260 O MET B 47 22.324 4.405 15.588 1.00 2.05 O ATOM 2261 CB MET B 47 22.275 5.867 18.129 1.00 4.05 C ATOM 2262 CG MET B 47 20.939 5.416 18.731 1.00 4.06 C ATOM 2263 SD MET B 47 20.440 3.731 18.291 1.00 4.48 S ATOM 2264 CE MET B 47 18.928 4.111 17.397 1.00 3.47 C ATOM 0 H MET B 47 20.493 7.687 16.380 1.00 2.51 H new ATOM 0 HA MET B 47 23.206 6.836 16.441 1.00 2.74 H new ATOM 0 HB2 MET B 47 22.932 5.000 18.065 1.00 4.05 H new ATOM 0 HB3 MET B 47 22.742 6.570 18.819 1.00 4.05 H new ATOM 0 HG2 MET B 47 21.002 5.490 19.817 1.00 4.06 H new ATOM 0 HG3 MET B 47 20.160 6.107 18.409 1.00 4.06 H new ATOM 0 HE1 MET B 47 18.453 3.184 17.075 1.00 3.47 H new ATOM 0 HE2 MET B 47 18.248 4.660 18.049 1.00 3.47 H new ATOM 0 HE3 MET B 47 19.164 4.720 16.524 1.00 3.47 H new ATOM 2274 N LYS B 48 20.988 5.951 14.686 1.00 1.73 N ATOM 2275 CA LYS B 48 20.936 5.331 13.349 1.00 1.92 C ATOM 2276 C LYS B 48 22.270 5.506 12.575 1.00 2.14 C ATOM 2277 O LYS B 48 23.105 6.327 12.948 1.00 2.76 O ATOM 2278 CB LYS B 48 19.748 5.880 12.536 1.00 2.55 C ATOM 2279 CG LYS B 48 18.374 5.346 12.943 1.00 3.88 C ATOM 2280 CD LYS B 48 17.543 6.275 13.841 1.00 5.67 C ATOM 2281 CE LYS B 48 16.166 6.525 13.210 1.00 6.74 C ATOM 2282 NZ LYS B 48 15.356 7.571 13.892 1.00 8.93 N ATOM 0 H LYS B 48 20.332 6.721 14.815 1.00 1.73 H new ATOM 0 HA LYS B 48 20.787 4.261 13.493 1.00 1.92 H new ATOM 0 HB2 LYS B 48 19.739 6.966 12.626 1.00 2.55 H new ATOM 0 HB3 LYS B 48 19.912 5.649 11.483 1.00 2.55 H new ATOM 0 HG2 LYS B 48 17.802 5.137 12.039 1.00 3.88 H new ATOM 0 HG3 LYS B 48 18.511 4.396 13.460 1.00 3.88 H new ATOM 0 HD2 LYS B 48 17.424 5.828 14.828 1.00 5.67 H new ATOM 0 HD3 LYS B 48 18.065 7.222 13.980 1.00 5.67 H new ATOM 0 HE2 LYS B 48 16.305 6.813 12.168 1.00 6.74 H new ATOM 0 HE3 LYS B 48 15.605 5.591 13.211 1.00 6.74 H new ATOM 0 HZ1 LYS B 48 14.348 7.421 13.683 1.00 8.93 H new ATOM 0 HZ2 LYS B 48 15.509 7.514 14.919 1.00 8.93 H new ATOM 0 HZ3 LYS B 48 15.644 8.510 13.551 1.00 8.93 H new ATOM 2296 N GLU B 49 22.418 4.758 11.482 1.00 3.17 N ATOM 2297 CA GLU B 49 23.519 4.835 10.511 1.00 4.13 C ATOM 2298 C GLU B 49 23.714 6.281 9.993 1.00 2.86 C ATOM 2299 O GLU B 49 22.742 7.018 9.852 1.00 2.90 O ATOM 2300 CB GLU B 49 23.200 3.843 9.368 1.00 6.37 C ATOM 2301 CG GLU B 49 24.411 3.221 8.657 1.00 7.77 C ATOM 2302 CD GLU B 49 25.271 4.279 7.992 1.00 7.98 C ATOM 2303 OE1 GLU B 49 24.800 4.888 7.007 1.00 8.53 O ATOM 2304 OE2 GLU B 49 26.324 4.613 8.576 1.00 7.94 O ATOM 0 H GLU B 49 21.737 4.041 11.233 1.00 3.17 H new ATOM 0 HA GLU B 49 24.463 4.561 10.981 1.00 4.13 H new ATOM 0 HB2 GLU B 49 22.589 3.037 9.774 1.00 6.37 H new ATOM 0 HB3 GLU B 49 22.593 4.360 8.624 1.00 6.37 H new ATOM 0 HG2 GLU B 49 25.010 2.664 9.377 1.00 7.77 H new ATOM 0 HG3 GLU B 49 24.067 2.507 7.908 1.00 7.77 H new ATOM 2311 N SER B 50 24.942 6.686 9.668 1.00 2.68 N ATOM 2312 CA SER B 50 25.290 8.031 9.193 1.00 1.97 C ATOM 2313 C SER B 50 24.519 8.469 7.939 1.00 1.73 C ATOM 2314 O SER B 50 24.415 9.666 7.690 1.00 2.68 O ATOM 2315 CB SER B 50 26.793 8.076 8.895 1.00 2.21 C ATOM 2316 OG SER B 50 27.244 9.412 8.749 1.00 2.90 O ATOM 0 H SER B 50 25.751 6.068 9.729 1.00 2.68 H new ATOM 0 HA SER B 50 25.011 8.725 9.986 1.00 1.97 H new ATOM 0 HB2 SER B 50 27.342 7.590 9.702 1.00 2.21 H new ATOM 0 HB3 SER B 50 27.003 7.516 7.984 1.00 2.21 H new ATOM 0 HG SER B 50 28.206 9.414 8.561 1.00 2.90 H new ATOM 2322 N SER B 51 23.948 7.547 7.165 1.00 1.75 N ATOM 2323 CA SER B 51 23.097 7.853 6.010 1.00 1.69 C ATOM 2324 C SER B 51 21.845 8.686 6.336 1.00 1.52 C ATOM 2325 O SER B 51 21.262 9.234 5.407 1.00 1.87 O ATOM 2326 CB SER B 51 22.667 6.552 5.322 1.00 2.23 C ATOM 2327 OG SER B 51 23.787 5.823 4.859 1.00 2.30 O ATOM 0 H SER B 51 24.065 6.546 7.324 1.00 1.75 H new ATOM 0 HA SER B 51 23.711 8.469 5.353 1.00 1.69 H new ATOM 0 HB2 SER B 51 22.095 5.940 6.020 1.00 2.23 H new ATOM 0 HB3 SER B 51 22.008 6.781 4.485 1.00 2.23 H new ATOM 0 HG SER B 51 24.365 5.596 5.617 1.00 2.30 H new ATOM 2333 N ILE B 52 21.403 8.828 7.598 1.00 1.36 N ATOM 2334 CA ILE B 52 20.395 9.850 7.940 1.00 1.32 C ATOM 2335 C ILE B 52 20.952 11.272 8.006 1.00 1.17 C ATOM 2336 O ILE B 52 20.196 12.200 7.725 1.00 1.33 O ATOM 2337 CB ILE B 52 19.576 9.438 9.187 1.00 1.54 C ATOM 2338 CG1 ILE B 52 18.670 10.528 9.801 1.00 2.65 C ATOM 2339 CG2 ILE B 52 20.347 8.733 10.306 1.00 2.33 C ATOM 2340 CD1 ILE B 52 19.292 11.467 10.850 1.00 2.03 C ATOM 0 H ILE B 52 21.719 8.261 8.385 1.00 1.36 H new ATOM 0 HA ILE B 52 19.694 9.889 7.106 1.00 1.32 H new ATOM 0 HB ILE B 52 18.929 8.696 8.719 1.00 1.54 H new ATOM 0 HG12 ILE B 52 18.285 11.142 8.987 1.00 2.65 H new ATOM 0 HG13 ILE B 52 17.814 10.033 10.259 1.00 2.65 H new ATOM 0 HG21 ILE B 52 19.666 8.495 11.123 1.00 2.33 H new ATOM 0 HG22 ILE B 52 20.787 7.813 9.921 1.00 2.33 H new ATOM 0 HG23 ILE B 52 21.138 9.388 10.672 1.00 2.33 H new ATOM 0 HD11 ILE B 52 18.541 12.179 11.192 1.00 2.03 H new ATOM 0 HD12 ILE B 52 19.649 10.881 11.697 1.00 2.03 H new ATOM 0 HD13 ILE B 52 20.128 12.007 10.405 1.00 2.03 H new ATOM 2352 N ASP B 53 22.227 11.468 8.339 1.00 1.14 N ATOM 2353 CA ASP B 53 22.794 12.807 8.527 1.00 1.37 C ATOM 2354 C ASP B 53 23.003 13.538 7.191 1.00 1.35 C ATOM 2355 O ASP B 53 22.739 14.741 7.106 1.00 1.51 O ATOM 2356 CB ASP B 53 24.079 12.727 9.366 1.00 1.73 C ATOM 2357 CG ASP B 53 24.424 14.076 10.022 1.00 2.49 C ATOM 2358 OD1 ASP B 53 23.494 14.699 10.585 1.00 3.20 O ATOM 2359 OD2 ASP B 53 25.618 14.449 10.011 1.00 3.37 O ATOM 0 H ASP B 53 22.894 10.710 8.486 1.00 1.14 H new ATOM 0 HA ASP B 53 22.074 13.409 9.082 1.00 1.37 H new ATOM 0 HB2 ASP B 53 23.961 11.968 10.139 1.00 1.73 H new ATOM 0 HB3 ASP B 53 24.907 12.410 8.732 1.00 1.73 H new ATOM 2364 N ASP B 54 23.334 12.818 6.107 1.00 1.26 N ATOM 2365 CA ASP B 54 23.236 13.378 4.748 1.00 1.33 C ATOM 2366 C ASP B 54 21.798 13.808 4.451 1.00 1.41 C ATOM 2367 O ASP B 54 21.584 14.926 3.986 1.00 1.64 O ATOM 2368 CB ASP B 54 23.708 12.403 3.656 1.00 1.38 C ATOM 2369 CG ASP B 54 23.649 13.070 2.264 1.00 1.64 C ATOM 2370 OD1 ASP B 54 22.530 13.259 1.719 1.00 2.45 O ATOM 2371 OD2 ASP B 54 24.720 13.470 1.753 1.00 2.33 O ATOM 0 H ASP B 54 23.669 11.855 6.143 1.00 1.26 H new ATOM 0 HA ASP B 54 23.902 14.240 4.726 1.00 1.33 H new ATOM 0 HB2 ASP B 54 24.727 12.080 3.867 1.00 1.38 H new ATOM 0 HB3 ASP B 54 23.082 11.510 3.664 1.00 1.38 H new ATOM 2376 N LEU B 55 20.806 12.958 4.733 1.00 1.24 N ATOM 2377 CA LEU B 55 19.398 13.222 4.406 1.00 1.23 C ATOM 2378 C LEU B 55 18.861 14.438 5.177 1.00 1.30 C ATOM 2379 O LEU B 55 18.190 15.298 4.601 1.00 1.41 O ATOM 2380 CB LEU B 55 18.563 11.960 4.636 1.00 1.04 C ATOM 2381 CG LEU B 55 18.975 10.761 3.770 1.00 1.03 C ATOM 2382 CD1 LEU B 55 18.217 9.515 4.249 1.00 0.95 C ATOM 2383 CD2 LEU B 55 18.692 10.994 2.278 1.00 1.33 C ATOM 0 H LEU B 55 20.956 12.062 5.197 1.00 1.24 H new ATOM 0 HA LEU B 55 19.322 13.479 3.350 1.00 1.23 H new ATOM 0 HB2 LEU B 55 18.636 11.677 5.686 1.00 1.04 H new ATOM 0 HB3 LEU B 55 17.516 12.191 4.441 1.00 1.04 H new ATOM 0 HG LEU B 55 20.051 10.624 3.878 1.00 1.03 H new ATOM 0 HD11 LEU B 55 18.503 8.658 3.639 1.00 0.95 H new ATOM 0 HD12 LEU B 55 18.464 9.317 5.292 1.00 0.95 H new ATOM 0 HD13 LEU B 55 17.144 9.684 4.156 1.00 0.95 H new ATOM 0 HD21 LEU B 55 19.001 10.118 1.708 1.00 1.33 H new ATOM 0 HD22 LEU B 55 17.625 11.164 2.132 1.00 1.33 H new ATOM 0 HD23 LEU B 55 19.249 11.865 1.934 1.00 1.33 H new ATOM 2395 N MET B 56 19.262 14.585 6.438 1.00 1.31 N ATOM 2396 CA MET B 56 19.027 15.779 7.262 1.00 1.47 C ATOM 2397 C MET B 56 19.722 17.038 6.731 1.00 1.61 C ATOM 2398 O MET B 56 19.196 18.140 6.919 1.00 1.95 O ATOM 2399 CB MET B 56 19.499 15.505 8.695 1.00 1.51 C ATOM 2400 CG MET B 56 18.635 14.449 9.386 1.00 1.47 C ATOM 2401 SD MET B 56 16.939 14.936 9.766 1.00 1.62 S ATOM 2402 CE MET B 56 17.265 15.570 11.421 1.00 2.29 C ATOM 0 H MET B 56 19.776 13.857 6.934 1.00 1.31 H new ATOM 0 HA MET B 56 17.956 15.977 7.230 1.00 1.47 H new ATOM 0 HB2 MET B 56 20.537 15.171 8.678 1.00 1.51 H new ATOM 0 HB3 MET B 56 19.471 16.431 9.270 1.00 1.51 H new ATOM 0 HG2 MET B 56 18.604 13.563 8.752 1.00 1.47 H new ATOM 0 HG3 MET B 56 19.125 14.159 10.315 1.00 1.47 H new ATOM 0 HE1 MET B 56 16.495 16.293 11.692 1.00 2.29 H new ATOM 0 HE2 MET B 56 17.256 14.746 12.135 1.00 2.29 H new ATOM 0 HE3 MET B 56 18.241 16.055 11.439 1.00 2.29 H new ATOM 2412 N LYS B 57 20.857 16.911 6.036 1.00 1.42 N ATOM 2413 CA LYS B 57 21.474 17.997 5.256 1.00 1.46 C ATOM 2414 C LYS B 57 20.801 18.206 3.876 1.00 1.45 C ATOM 2415 O LYS B 57 20.806 19.303 3.331 1.00 1.53 O ATOM 2416 CB LYS B 57 22.986 17.716 5.094 1.00 1.47 C ATOM 2417 CG LYS B 57 23.914 18.853 5.562 1.00 1.85 C ATOM 2418 CD LYS B 57 23.623 20.235 4.945 1.00 2.56 C ATOM 2419 CE LYS B 57 22.979 21.168 5.984 1.00 3.96 C ATOM 2420 NZ LYS B 57 22.532 22.468 5.429 1.00 5.41 N ATOM 0 H LYS B 57 21.384 16.038 5.997 1.00 1.42 H new ATOM 0 HA LYS B 57 21.327 18.926 5.807 1.00 1.46 H new ATOM 0 HB2 LYS B 57 23.234 16.813 5.651 1.00 1.47 H new ATOM 0 HB3 LYS B 57 23.191 17.509 4.044 1.00 1.47 H new ATOM 0 HG2 LYS B 57 23.843 18.935 6.647 1.00 1.85 H new ATOM 0 HG3 LYS B 57 24.943 18.579 5.330 1.00 1.85 H new ATOM 0 HD2 LYS B 57 24.549 20.677 4.576 1.00 2.56 H new ATOM 0 HD3 LYS B 57 22.959 20.124 4.088 1.00 2.56 H new ATOM 0 HE2 LYS B 57 22.124 20.662 6.432 1.00 3.96 H new ATOM 0 HE3 LYS B 57 23.695 21.353 6.785 1.00 3.96 H new ATOM 0 HZ1 LYS B 57 21.933 22.956 6.126 1.00 5.41 H new ATOM 0 HZ2 LYS B 57 23.362 23.057 5.213 1.00 5.41 H new ATOM 0 HZ3 LYS B 57 21.987 22.305 4.558 1.00 5.41 H new ATOM 2434 N SER B 58 20.253 17.150 3.289 1.00 1.38 N ATOM 2435 CA SER B 58 19.679 17.058 1.938 1.00 1.31 C ATOM 2436 C SER B 58 18.222 17.542 1.823 1.00 1.10 C ATOM 2437 O SER B 58 17.819 18.028 0.760 1.00 1.19 O ATOM 2438 CB SER B 58 19.932 15.666 1.339 1.00 1.48 C ATOM 2439 OG SER B 58 21.325 15.536 1.059 1.00 2.80 O ATOM 0 H SER B 58 20.190 16.258 3.780 1.00 1.38 H new ATOM 0 HA SER B 58 20.213 17.779 1.319 1.00 1.31 H new ATOM 0 HB2 SER B 58 19.612 14.891 2.036 1.00 1.48 H new ATOM 0 HB3 SER B 58 19.349 15.535 0.427 1.00 1.48 H new ATOM 0 HG SER B 58 21.712 14.848 1.639 1.00 2.80 H new ATOM 2445 N LEU B 59 17.480 17.566 2.931 1.00 1.00 N ATOM 2446 CA LEU B 59 16.341 18.468 3.133 1.00 1.04 C ATOM 2447 C LEU B 59 16.813 19.927 3.246 1.00 1.08 C ATOM 2448 O LEU B 59 16.380 20.812 2.513 1.00 1.24 O ATOM 2449 CB LEU B 59 15.596 18.003 4.402 1.00 1.08 C ATOM 2450 CG LEU B 59 14.912 16.630 4.256 1.00 1.06 C ATOM 2451 CD1 LEU B 59 14.171 16.279 5.555 1.00 1.16 C ATOM 2452 CD2 LEU B 59 13.956 16.588 3.058 1.00 1.13 C ATOM 0 H LEU B 59 17.654 16.951 3.726 1.00 1.00 H new ATOM 0 HA LEU B 59 15.664 18.431 2.279 1.00 1.04 H new ATOM 0 HB2 LEU B 59 16.302 17.960 5.231 1.00 1.08 H new ATOM 0 HB3 LEU B 59 14.843 18.747 4.663 1.00 1.08 H new ATOM 0 HG LEU B 59 15.687 15.886 4.070 1.00 1.06 H new ATOM 0 HD11 LEU B 59 13.689 15.307 5.448 1.00 1.16 H new ATOM 0 HD12 LEU B 59 14.882 16.242 6.381 1.00 1.16 H new ATOM 0 HD13 LEU B 59 13.416 17.038 5.760 1.00 1.16 H new ATOM 0 HD21 LEU B 59 13.496 15.602 2.994 1.00 1.13 H new ATOM 0 HD22 LEU B 59 13.180 17.342 3.185 1.00 1.13 H new ATOM 0 HD23 LEU B 59 14.511 16.790 2.142 1.00 1.13 H new ATOM 2464 N ASP B 60 17.754 20.151 4.153 1.00 1.10 N ATOM 2465 CA ASP B 60 18.356 21.418 4.576 1.00 1.28 C ATOM 2466 C ASP B 60 19.321 22.052 3.549 1.00 1.38 C ATOM 2467 O ASP B 60 20.198 22.823 3.935 1.00 1.94 O ATOM 2468 CB ASP B 60 19.051 21.085 5.902 1.00 1.58 C ATOM 2469 CG ASP B 60 19.291 22.221 6.891 1.00 1.82 C ATOM 2470 OD1 ASP B 60 18.303 22.575 7.576 1.00 2.55 O ATOM 2471 OD2 ASP B 60 20.480 22.489 7.175 1.00 2.48 O ATOM 0 H ASP B 60 18.160 19.370 4.668 1.00 1.10 H new ATOM 0 HA ASP B 60 17.591 22.188 4.678 1.00 1.28 H new ATOM 0 HB2 ASP B 60 18.458 20.322 6.407 1.00 1.58 H new ATOM 0 HB3 ASP B 60 20.016 20.636 5.669 1.00 1.58 H new ATOM 2476 N LYS B 61 19.230 21.708 2.257 1.00 1.26 N ATOM 2477 CA LYS B 61 20.058 22.334 1.206 1.00 1.53 C ATOM 2478 C LYS B 61 19.571 23.759 0.932 1.00 1.91 C ATOM 2479 O LYS B 61 20.318 24.717 1.100 1.00 2.75 O ATOM 2480 CB LYS B 61 20.116 21.495 -0.076 1.00 1.54 C ATOM 2481 CG LYS B 61 20.615 20.090 0.241 1.00 2.29 C ATOM 2482 CD LYS B 61 20.871 19.287 -1.039 1.00 2.48 C ATOM 2483 CE LYS B 61 22.324 18.807 -1.138 1.00 3.12 C ATOM 2484 NZ LYS B 61 22.612 17.571 -0.355 1.00 4.45 N ATOM 0 H LYS B 61 18.588 20.996 1.909 1.00 1.26 H new ATOM 0 HA LYS B 61 21.082 22.383 1.576 1.00 1.53 H new ATOM 0 HB2 LYS B 61 19.127 21.444 -0.532 1.00 1.54 H new ATOM 0 HB3 LYS B 61 20.777 21.969 -0.801 1.00 1.54 H new ATOM 0 HG2 LYS B 61 21.534 20.151 0.824 1.00 2.29 H new ATOM 0 HG3 LYS B 61 19.880 19.571 0.857 1.00 2.29 H new ATOM 0 HD2 LYS B 61 20.203 18.426 -1.066 1.00 2.48 H new ATOM 0 HD3 LYS B 61 20.633 19.903 -1.906 1.00 2.48 H new ATOM 0 HE2 LYS B 61 22.565 18.625 -2.185 1.00 3.12 H new ATOM 0 HE3 LYS B 61 22.983 19.604 -0.794 1.00 3.12 H new ATOM 0 HZ1 LYS B 61 23.161 17.817 0.493 1.00 4.45 H new ATOM 0 HZ2 LYS B 61 21.717 17.124 -0.070 1.00 4.45 H new ATOM 0 HZ3 LYS B 61 23.159 16.908 -0.941 1.00 4.45 H new ATOM 2498 N ASN B 62 18.291 23.867 0.558 1.00 1.58 N ATOM 2499 CA ASN B 62 17.569 25.132 0.369 1.00 2.04 C ATOM 2500 C ASN B 62 16.275 25.208 1.198 1.00 1.60 C ATOM 2501 O ASN B 62 15.519 26.162 1.058 1.00 2.21 O ATOM 2502 CB ASN B 62 17.308 25.329 -1.128 1.00 2.76 C ATOM 2503 CG ASN B 62 18.598 25.226 -1.928 1.00 3.38 C ATOM 2504 OD1 ASN B 62 18.843 24.240 -2.606 1.00 3.06 O ATOM 2505 ND2 ASN B 62 19.483 26.194 -1.795 1.00 4.67 N ATOM 0 H ASN B 62 17.709 23.050 0.372 1.00 1.58 H new ATOM 0 HA ASN B 62 18.190 25.948 0.739 1.00 2.04 H new ATOM 0 HB2 ASN B 62 16.599 24.579 -1.478 1.00 2.76 H new ATOM 0 HB3 ASN B 62 16.850 26.304 -1.295 1.00 2.76 H new ATOM 0 HD21 ASN B 62 20.387 26.126 -2.262 1.00 4.67 H new ATOM 0 HD22 ASN B 62 19.263 27.011 -1.225 1.00 4.67 H new ATOM 2512 N SER B 63 16.028 24.192 2.034 1.00 1.15 N ATOM 2513 CA SER B 63 15.450 24.251 3.392 1.00 1.10 C ATOM 2514 C SER B 63 13.992 24.707 3.561 1.00 1.04 C ATOM 2515 O SER B 63 13.232 24.062 4.276 1.00 1.25 O ATOM 2516 CB SER B 63 16.378 25.045 4.334 1.00 1.41 C ATOM 2517 OG SER B 63 16.639 26.374 3.920 1.00 1.88 O ATOM 0 H SER B 63 16.241 23.232 1.763 1.00 1.15 H new ATOM 0 HA SER B 63 15.389 23.197 3.663 1.00 1.10 H new ATOM 0 HB2 SER B 63 15.931 25.069 5.328 1.00 1.41 H new ATOM 0 HB3 SER B 63 17.325 24.513 4.423 1.00 1.41 H new ATOM 0 HG SER B 63 15.801 26.882 3.902 1.00 1.88 H new ATOM 2523 N ASP B 64 13.580 25.793 2.931 1.00 1.08 N ATOM 2524 CA ASP B 64 12.313 26.477 3.183 1.00 1.28 C ATOM 2525 C ASP B 64 11.289 26.147 2.093 1.00 1.27 C ATOM 2526 O ASP B 64 10.088 26.280 2.301 1.00 2.12 O ATOM 2527 CB ASP B 64 12.612 27.977 3.324 1.00 1.65 C ATOM 2528 CG ASP B 64 13.433 28.244 4.595 1.00 2.57 C ATOM 2529 OD1 ASP B 64 14.655 27.951 4.618 1.00 3.07 O ATOM 2530 OD2 ASP B 64 12.850 28.686 5.610 1.00 3.52 O ATOM 0 H ASP B 64 14.135 26.243 2.203 1.00 1.08 H new ATOM 0 HA ASP B 64 11.853 26.134 4.110 1.00 1.28 H new ATOM 0 HB2 ASP B 64 13.160 28.329 2.450 1.00 1.65 H new ATOM 0 HB3 ASP B 64 11.678 28.538 3.362 1.00 1.65 H new ATOM 2535 N GLN B 65 11.774 25.614 0.968 1.00 0.94 N ATOM 2536 CA GLN B 65 11.023 24.984 -0.114 1.00 1.00 C ATOM 2537 C GLN B 65 10.086 23.888 0.393 1.00 0.91 C ATOM 2538 O GLN B 65 10.425 23.157 1.323 1.00 0.97 O ATOM 2539 CB GLN B 65 11.963 24.319 -1.142 1.00 1.22 C ATOM 2540 CG GLN B 65 13.478 24.338 -0.851 1.00 2.26 C ATOM 2541 CD GLN B 65 14.265 23.337 -1.696 1.00 3.10 C ATOM 2542 OE1 GLN B 65 14.981 22.502 -1.172 1.00 4.00 O ATOM 2543 NE2 GLN B 65 14.191 23.369 -3.010 1.00 3.59 N ATOM 0 H GLN B 65 12.776 25.613 0.779 1.00 0.94 H new ATOM 0 HA GLN B 65 10.449 25.790 -0.572 1.00 1.00 H new ATOM 0 HB2 GLN B 65 11.656 23.279 -1.252 1.00 1.22 H new ATOM 0 HB3 GLN B 65 11.801 24.803 -2.105 1.00 1.22 H new ATOM 0 HG2 GLN B 65 13.864 25.341 -1.034 1.00 2.26 H new ATOM 0 HG3 GLN B 65 13.642 24.121 0.205 1.00 2.26 H new ATOM 0 HE21 GLN B 65 13.598 24.059 -3.471 1.00 3.59 H new ATOM 0 HE22 GLN B 65 14.727 22.703 -3.567 1.00 3.59 H new ATOM 2552 N GLU B 66 8.966 23.710 -0.302 1.00 0.93 N ATOM 2553 CA GLU B 66 7.963 22.729 0.075 1.00 0.88 C ATOM 2554 C GLU B 66 8.265 21.301 -0.390 1.00 0.89 C ATOM 2555 O GLU B 66 8.898 21.074 -1.424 1.00 1.08 O ATOM 2556 CB GLU B 66 6.593 23.143 -0.476 1.00 1.00 C ATOM 2557 CG GLU B 66 6.035 24.411 0.169 1.00 1.04 C ATOM 2558 CD GLU B 66 4.746 24.804 -0.541 1.00 1.42 C ATOM 2559 OE1 GLU B 66 3.715 24.158 -0.243 1.00 2.16 O ATOM 2560 OE2 GLU B 66 4.831 25.692 -1.415 1.00 2.29 O ATOM 0 H GLU B 66 8.732 24.242 -1.140 1.00 0.93 H new ATOM 0 HA GLU B 66 7.970 22.714 1.165 1.00 0.88 H new ATOM 0 HB2 GLU B 66 6.674 23.298 -1.552 1.00 1.00 H new ATOM 0 HB3 GLU B 66 5.887 22.327 -0.324 1.00 1.00 H new ATOM 0 HG2 GLU B 66 5.844 24.241 1.229 1.00 1.04 H new ATOM 0 HG3 GLU B 66 6.763 25.219 0.102 1.00 1.04 H new ATOM 2567 N ILE B 67 7.745 20.339 0.367 1.00 0.80 N ATOM 2568 CA ILE B 67 7.643 18.925 0.007 1.00 0.82 C ATOM 2569 C ILE B 67 6.304 18.331 0.412 1.00 0.78 C ATOM 2570 O ILE B 67 5.708 18.757 1.397 1.00 0.86 O ATOM 2571 CB ILE B 67 8.776 18.067 0.617 1.00 1.11 C ATOM 2572 CG1 ILE B 67 9.443 18.658 1.880 1.00 1.18 C ATOM 2573 CG2 ILE B 67 9.760 17.777 -0.507 1.00 2.49 C ATOM 2574 CD1 ILE B 67 10.618 17.815 2.374 1.00 1.29 C ATOM 0 H ILE B 67 7.364 20.532 1.293 1.00 0.80 H new ATOM 0 HA ILE B 67 7.737 18.900 -1.079 1.00 0.82 H new ATOM 0 HB ILE B 67 8.349 17.144 1.008 1.00 1.11 H new ATOM 0 HG12 ILE B 67 9.791 19.668 1.664 1.00 1.18 H new ATOM 0 HG13 ILE B 67 8.701 18.740 2.674 1.00 1.18 H new ATOM 0 HG21 ILE B 67 10.581 17.171 -0.124 1.00 2.49 H new ATOM 0 HG22 ILE B 67 9.252 17.236 -1.305 1.00 2.49 H new ATOM 0 HG23 ILE B 67 10.153 18.716 -0.898 1.00 2.49 H new ATOM 0 HD11 ILE B 67 11.049 18.276 3.263 1.00 1.29 H new ATOM 0 HD12 ILE B 67 10.269 16.812 2.619 1.00 1.29 H new ATOM 0 HD13 ILE B 67 11.376 17.754 1.593 1.00 1.29 H new ATOM 2586 N ASP B 68 5.882 17.311 -0.336 1.00 0.80 N ATOM 2587 CA ASP B 68 4.687 16.508 -0.087 1.00 0.86 C ATOM 2588 C ASP B 68 5.009 15.147 0.569 1.00 0.93 C ATOM 2589 O ASP B 68 6.165 14.728 0.705 1.00 1.16 O ATOM 2590 CB ASP B 68 3.864 16.380 -1.397 1.00 0.93 C ATOM 2591 CG ASP B 68 3.717 14.952 -1.956 1.00 1.10 C ATOM 2592 OD1 ASP B 68 4.705 14.371 -2.454 1.00 2.11 O ATOM 2593 OD2 ASP B 68 2.598 14.391 -1.931 1.00 2.23 O ATOM 0 H ASP B 68 6.387 17.009 -1.169 1.00 0.80 H new ATOM 0 HA ASP B 68 4.069 17.024 0.648 1.00 0.86 H new ATOM 0 HB2 ASP B 68 2.868 16.785 -1.220 1.00 0.93 H new ATOM 0 HB3 ASP B 68 4.331 17.003 -2.160 1.00 0.93 H new ATOM 2598 N PHE B 69 3.933 14.442 0.912 1.00 0.90 N ATOM 2599 CA PHE B 69 3.925 13.140 1.567 1.00 0.94 C ATOM 2600 C PHE B 69 4.838 12.062 0.953 1.00 0.94 C ATOM 2601 O PHE B 69 5.198 11.123 1.657 1.00 0.93 O ATOM 2602 CB PHE B 69 2.483 12.623 1.570 1.00 1.09 C ATOM 2603 CG PHE B 69 1.660 13.077 2.749 1.00 1.15 C ATOM 2604 CD1 PHE B 69 1.235 14.413 2.842 1.00 2.60 C ATOM 2605 CD2 PHE B 69 1.334 12.157 3.764 1.00 2.30 C ATOM 2606 CE1 PHE B 69 0.480 14.825 3.947 1.00 3.52 C ATOM 2607 CE2 PHE B 69 0.566 12.569 4.863 1.00 2.96 C ATOM 2608 CZ PHE B 69 0.125 13.901 4.946 1.00 3.23 C ATOM 0 H PHE B 69 2.990 14.786 0.729 1.00 0.90 H new ATOM 0 HA PHE B 69 4.330 13.310 2.565 1.00 0.94 H new ATOM 0 HB2 PHE B 69 1.992 12.948 0.653 1.00 1.09 H new ATOM 0 HB3 PHE B 69 2.501 11.533 1.553 1.00 1.09 H new ATOM 0 HD1 PHE B 69 1.489 15.119 2.065 1.00 2.60 H new ATOM 0 HD2 PHE B 69 1.675 11.135 3.696 1.00 2.30 H new ATOM 0 HE1 PHE B 69 0.169 15.856 4.032 1.00 3.52 H new ATOM 0 HE2 PHE B 69 0.314 11.865 5.643 1.00 2.96 H new ATOM 0 HZ PHE B 69 -0.487 14.215 5.778 1.00 3.23 H new ATOM 2618 N LYS B 70 5.210 12.144 -0.327 1.00 0.97 N ATOM 2619 CA LYS B 70 5.978 11.088 -0.996 1.00 1.00 C ATOM 2620 C LYS B 70 7.469 11.149 -0.661 1.00 0.97 C ATOM 2621 O LYS B 70 8.035 10.122 -0.281 1.00 0.97 O ATOM 2622 CB LYS B 70 5.740 11.208 -2.500 1.00 1.08 C ATOM 2623 CG LYS B 70 4.291 10.835 -2.863 1.00 1.19 C ATOM 2624 CD LYS B 70 4.028 10.941 -4.371 1.00 1.86 C ATOM 2625 CE LYS B 70 3.983 12.384 -4.892 1.00 2.96 C ATOM 2626 NZ LYS B 70 2.847 13.153 -4.329 1.00 4.28 N ATOM 0 H LYS B 70 4.989 12.939 -0.927 1.00 0.97 H new ATOM 0 HA LYS B 70 5.636 10.117 -0.637 1.00 1.00 H new ATOM 0 HB2 LYS B 70 5.948 12.228 -2.824 1.00 1.08 H new ATOM 0 HB3 LYS B 70 6.431 10.556 -3.034 1.00 1.08 H new ATOM 0 HG2 LYS B 70 4.085 9.818 -2.530 1.00 1.19 H new ATOM 0 HG3 LYS B 70 3.604 11.491 -2.329 1.00 1.19 H new ATOM 0 HD2 LYS B 70 4.806 10.396 -4.905 1.00 1.86 H new ATOM 0 HD3 LYS B 70 3.081 10.452 -4.601 1.00 1.86 H new ATOM 0 HE2 LYS B 70 4.918 12.887 -4.643 1.00 2.96 H new ATOM 0 HE3 LYS B 70 3.907 12.373 -5.979 1.00 2.96 H new ATOM 0 HZ1 LYS B 70 2.860 14.120 -4.711 1.00 4.28 H new ATOM 0 HZ2 LYS B 70 1.952 12.690 -4.588 1.00 4.28 H new ATOM 0 HZ3 LYS B 70 2.931 13.188 -3.293 1.00 4.28 H new ATOM 2640 N GLU B 71 8.082 12.338 -0.746 1.00 0.97 N ATOM 2641 CA GLU B 71 9.430 12.578 -0.208 1.00 0.92 C ATOM 2642 C GLU B 71 9.468 12.158 1.266 1.00 0.82 C ATOM 2643 O GLU B 71 10.395 11.495 1.724 1.00 0.86 O ATOM 2644 CB GLU B 71 9.810 14.063 -0.354 1.00 0.96 C ATOM 2645 CG GLU B 71 10.183 14.437 -1.799 1.00 1.35 C ATOM 2646 CD GLU B 71 11.662 14.834 -1.911 1.00 1.96 C ATOM 2647 OE1 GLU B 71 12.504 13.911 -1.912 1.00 2.93 O ATOM 2648 OE2 GLU B 71 11.953 16.057 -1.954 1.00 2.51 O ATOM 0 H GLU B 71 7.661 13.156 -1.187 1.00 0.97 H new ATOM 0 HA GLU B 71 10.153 11.987 -0.770 1.00 0.92 H new ATOM 0 HB2 GLU B 71 8.975 14.682 -0.026 1.00 0.96 H new ATOM 0 HB3 GLU B 71 10.650 14.286 0.304 1.00 0.96 H new ATOM 0 HG2 GLU B 71 9.980 13.593 -2.459 1.00 1.35 H new ATOM 0 HG3 GLU B 71 9.557 15.263 -2.136 1.00 1.35 H new ATOM 2655 N TYR B 72 8.381 12.431 1.984 1.00 0.76 N ATOM 2656 CA TYR B 72 8.226 12.034 3.383 1.00 0.68 C ATOM 2657 C TYR B 72 8.176 10.501 3.558 1.00 0.68 C ATOM 2658 O TYR B 72 8.927 9.955 4.365 1.00 0.65 O ATOM 2659 CB TYR B 72 7.015 12.787 3.946 1.00 0.68 C ATOM 2660 CG TYR B 72 6.367 12.232 5.201 1.00 0.69 C ATOM 2661 CD1 TYR B 72 7.114 12.106 6.389 1.00 1.62 C ATOM 2662 CD2 TYR B 72 4.988 11.933 5.215 1.00 1.68 C ATOM 2663 CE1 TYR B 72 6.481 11.727 7.586 1.00 1.61 C ATOM 2664 CE2 TYR B 72 4.342 11.588 6.416 1.00 1.81 C ATOM 2665 CZ TYR B 72 5.088 11.499 7.612 1.00 0.92 C ATOM 2666 OH TYR B 72 4.462 11.257 8.790 1.00 1.10 O ATOM 0 H TYR B 72 7.578 12.937 1.610 1.00 0.76 H new ATOM 0 HA TYR B 72 9.103 12.316 3.966 1.00 0.68 H new ATOM 0 HB2 TYR B 72 7.322 13.812 4.151 1.00 0.68 H new ATOM 0 HB3 TYR B 72 6.255 12.832 3.166 1.00 0.68 H new ATOM 0 HD1 TYR B 72 8.176 12.301 6.380 1.00 1.62 H new ATOM 0 HD2 TYR B 72 4.423 11.969 4.295 1.00 1.68 H new ATOM 0 HE1 TYR B 72 7.062 11.610 8.489 1.00 1.61 H new ATOM 0 HE2 TYR B 72 3.280 11.392 6.424 1.00 1.81 H new ATOM 0 HH TYR B 72 3.494 11.360 8.673 1.00 1.10 H new ATOM 2676 N SER B 73 7.374 9.759 2.787 1.00 0.79 N ATOM 2677 CA SER B 73 7.282 8.304 2.947 1.00 0.82 C ATOM 2678 C SER B 73 8.572 7.602 2.528 1.00 0.85 C ATOM 2679 O SER B 73 8.977 6.671 3.223 1.00 0.83 O ATOM 2680 CB SER B 73 6.077 7.717 2.184 1.00 1.01 C ATOM 2681 OG SER B 73 6.361 7.465 0.810 1.00 1.70 O ATOM 0 H SER B 73 6.782 10.140 2.049 1.00 0.79 H new ATOM 0 HA SER B 73 7.129 8.120 4.010 1.00 0.82 H new ATOM 0 HB2 SER B 73 5.768 6.788 2.662 1.00 1.01 H new ATOM 0 HB3 SER B 73 5.237 8.407 2.256 1.00 1.01 H new ATOM 0 HG SER B 73 6.685 6.546 0.706 1.00 1.70 H new ATOM 2687 N VAL B 74 9.237 8.044 1.445 1.00 0.90 N ATOM 2688 CA VAL B 74 10.510 7.450 1.007 1.00 0.94 C ATOM 2689 C VAL B 74 11.647 7.772 1.970 1.00 0.88 C ATOM 2690 O VAL B 74 12.470 6.898 2.191 1.00 0.91 O ATOM 2691 CB VAL B 74 10.950 7.799 -0.432 1.00 1.02 C ATOM 2692 CG1 VAL B 74 9.887 7.386 -1.448 1.00 1.07 C ATOM 2693 CG2 VAL B 74 11.362 9.258 -0.663 1.00 1.01 C ATOM 0 H VAL B 74 8.912 8.812 0.857 1.00 0.90 H new ATOM 0 HA VAL B 74 10.299 6.381 1.010 1.00 0.94 H new ATOM 0 HB VAL B 74 11.860 7.218 -0.580 1.00 1.02 H new ATOM 0 HG11 VAL B 74 10.224 7.644 -2.452 1.00 1.07 H new ATOM 0 HG12 VAL B 74 9.722 6.310 -1.385 1.00 1.07 H new ATOM 0 HG13 VAL B 74 8.955 7.909 -1.232 1.00 1.07 H new ATOM 0 HG21 VAL B 74 11.652 9.394 -1.705 1.00 1.01 H new ATOM 0 HG22 VAL B 74 10.523 9.914 -0.432 1.00 1.01 H new ATOM 0 HG23 VAL B 74 12.204 9.505 -0.017 1.00 1.01 H new ATOM 2703 N PHE B 75 11.676 8.955 2.594 1.00 0.82 N ATOM 2704 CA PHE B 75 12.671 9.294 3.616 1.00 0.77 C ATOM 2705 C PHE B 75 12.500 8.405 4.849 1.00 0.72 C ATOM 2706 O PHE B 75 13.468 7.834 5.345 1.00 0.75 O ATOM 2707 CB PHE B 75 12.496 10.783 3.966 1.00 0.70 C ATOM 2708 CG PHE B 75 13.589 11.417 4.803 1.00 0.69 C ATOM 2709 CD1 PHE B 75 13.827 11.015 6.132 1.00 2.04 C ATOM 2710 CD2 PHE B 75 14.356 12.454 4.247 1.00 1.43 C ATOM 2711 CE1 PHE B 75 14.849 11.623 6.881 1.00 2.15 C ATOM 2712 CE2 PHE B 75 15.349 13.078 5.011 1.00 1.42 C ATOM 2713 CZ PHE B 75 15.610 12.665 6.326 1.00 0.97 C ATOM 0 H PHE B 75 11.010 9.704 2.404 1.00 0.82 H new ATOM 0 HA PHE B 75 13.680 9.121 3.241 1.00 0.77 H new ATOM 0 HB2 PHE B 75 12.411 11.344 3.035 1.00 0.70 H new ATOM 0 HB3 PHE B 75 11.551 10.900 4.496 1.00 0.70 H new ATOM 0 HD1 PHE B 75 13.223 10.238 6.576 1.00 2.04 H new ATOM 0 HD2 PHE B 75 14.179 12.770 3.229 1.00 1.43 H new ATOM 0 HE1 PHE B 75 15.050 11.288 7.888 1.00 2.15 H new ATOM 0 HE2 PHE B 75 15.921 13.888 4.583 1.00 1.42 H new ATOM 0 HZ PHE B 75 16.387 13.143 6.905 1.00 0.97 H new ATOM 2723 N LEU B 76 11.266 8.253 5.333 1.00 0.67 N ATOM 2724 CA LEU B 76 10.950 7.428 6.502 1.00 0.61 C ATOM 2725 C LEU B 76 11.178 5.931 6.239 1.00 0.66 C ATOM 2726 O LEU B 76 11.688 5.228 7.118 1.00 0.71 O ATOM 2727 CB LEU B 76 9.499 7.736 6.925 1.00 0.59 C ATOM 2728 CG LEU B 76 9.340 8.885 7.945 1.00 0.73 C ATOM 2729 CD1 LEU B 76 9.869 8.431 9.305 1.00 2.79 C ATOM 2730 CD2 LEU B 76 10.042 10.200 7.582 1.00 1.92 C ATOM 0 H LEU B 76 10.449 8.704 4.921 1.00 0.67 H new ATOM 0 HA LEU B 76 11.628 7.676 7.319 1.00 0.61 H new ATOM 0 HB2 LEU B 76 8.922 7.981 6.033 1.00 0.59 H new ATOM 0 HB3 LEU B 76 9.062 6.832 7.349 1.00 0.59 H new ATOM 0 HG LEU B 76 8.272 9.102 7.953 1.00 0.73 H new ATOM 0 HD11 LEU B 76 9.758 9.240 10.027 1.00 2.79 H new ATOM 0 HD12 LEU B 76 9.304 7.562 9.644 1.00 2.79 H new ATOM 0 HD13 LEU B 76 10.923 8.166 9.216 1.00 2.79 H new ATOM 0 HD21 LEU B 76 9.864 10.936 8.366 1.00 1.92 H new ATOM 0 HD22 LEU B 76 11.113 10.025 7.484 1.00 1.92 H new ATOM 0 HD23 LEU B 76 9.648 10.574 6.637 1.00 1.92 H new ATOM 2742 N THR B 77 10.875 5.468 5.024 1.00 0.72 N ATOM 2743 CA THR B 77 11.160 4.106 4.548 1.00 0.78 C ATOM 2744 C THR B 77 12.667 3.874 4.459 1.00 0.88 C ATOM 2745 O THR B 77 13.172 2.934 5.068 1.00 0.98 O ATOM 2746 CB THR B 77 10.474 3.869 3.203 1.00 0.84 C ATOM 2747 OG1 THR B 77 9.089 3.996 3.385 1.00 0.79 O ATOM 2748 CG2 THR B 77 10.760 2.476 2.662 1.00 0.94 C ATOM 0 H THR B 77 10.411 6.044 4.322 1.00 0.72 H new ATOM 0 HA THR B 77 10.760 3.386 5.262 1.00 0.78 H new ATOM 0 HB THR B 77 10.856 4.599 2.490 1.00 0.84 H new ATOM 0 HG1 THR B 77 8.862 4.940 3.518 1.00 0.79 H new ATOM 0 HG21 THR B 77 10.255 2.347 1.705 1.00 0.94 H new ATOM 0 HG22 THR B 77 11.834 2.352 2.525 1.00 0.94 H new ATOM 0 HG23 THR B 77 10.396 1.730 3.368 1.00 0.94 H new ATOM 2756 N MET B 78 13.386 4.776 3.790 1.00 0.90 N ATOM 2757 CA MET B 78 14.851 4.801 3.682 1.00 1.00 C ATOM 2758 C MET B 78 15.535 4.785 5.054 1.00 0.99 C ATOM 2759 O MET B 78 16.491 4.034 5.260 1.00 1.10 O ATOM 2760 CB MET B 78 15.240 6.031 2.847 1.00 1.01 C ATOM 2761 CG MET B 78 16.742 6.220 2.658 1.00 1.31 C ATOM 2762 SD MET B 78 17.219 7.249 1.242 1.00 1.57 S ATOM 2763 CE MET B 78 15.998 8.586 1.309 1.00 1.36 C ATOM 0 H MET B 78 12.946 5.545 3.285 1.00 0.90 H new ATOM 0 HA MET B 78 15.200 3.896 3.184 1.00 1.00 H new ATOM 0 HB2 MET B 78 14.771 5.952 1.866 1.00 1.01 H new ATOM 0 HB3 MET B 78 14.832 6.922 3.324 1.00 1.01 H new ATOM 0 HG2 MET B 78 17.153 6.664 3.564 1.00 1.31 H new ATOM 0 HG3 MET B 78 17.204 5.239 2.546 1.00 1.31 H new ATOM 0 HE1 MET B 78 16.336 9.419 0.693 1.00 1.36 H new ATOM 0 HE2 MET B 78 15.040 8.223 0.935 1.00 1.36 H new ATOM 0 HE3 MET B 78 15.882 8.921 2.340 1.00 1.36 H new ATOM 2773 N LEU B 79 15.016 5.548 6.022 1.00 0.90 N ATOM 2774 CA LEU B 79 15.494 5.489 7.399 1.00 0.96 C ATOM 2775 C LEU B 79 15.305 4.107 8.009 1.00 0.91 C ATOM 2776 O LEU B 79 16.264 3.548 8.519 1.00 0.93 O ATOM 2777 CB LEU B 79 14.818 6.558 8.285 1.00 1.12 C ATOM 2778 CG LEU B 79 15.811 7.573 8.862 1.00 0.91 C ATOM 2779 CD1 LEU B 79 16.972 6.904 9.617 1.00 1.57 C ATOM 2780 CD2 LEU B 79 16.303 8.498 7.738 1.00 1.82 C ATOM 0 H LEU B 79 14.260 6.216 5.871 1.00 0.90 H new ATOM 0 HA LEU B 79 16.563 5.699 7.362 1.00 0.96 H new ATOM 0 HB2 LEU B 79 14.067 7.086 7.698 1.00 1.12 H new ATOM 0 HB3 LEU B 79 14.294 6.065 9.104 1.00 1.12 H new ATOM 0 HG LEU B 79 15.293 8.173 9.610 1.00 0.91 H new ATOM 0 HD11 LEU B 79 17.644 7.670 10.004 1.00 1.57 H new ATOM 0 HD12 LEU B 79 16.577 6.316 10.445 1.00 1.57 H new ATOM 0 HD13 LEU B 79 17.520 6.251 8.937 1.00 1.57 H new ATOM 0 HD21 LEU B 79 17.010 9.221 8.145 1.00 1.82 H new ATOM 0 HD22 LEU B 79 16.795 7.904 6.967 1.00 1.82 H new ATOM 0 HD23 LEU B 79 15.454 9.025 7.303 1.00 1.82 H new ATOM 2792 N CYS B 80 14.094 3.550 7.947 1.00 0.88 N ATOM 2793 CA CYS B 80 13.777 2.239 8.514 1.00 0.90 C ATOM 2794 C CYS B 80 14.680 1.131 7.935 1.00 0.99 C ATOM 2795 O CYS B 80 15.285 0.377 8.691 1.00 1.07 O ATOM 2796 CB CYS B 80 12.281 1.977 8.294 1.00 0.89 C ATOM 2797 SG CYS B 80 11.795 0.475 9.187 1.00 1.03 S ATOM 0 H CYS B 80 13.298 4.002 7.497 1.00 0.88 H new ATOM 0 HA CYS B 80 13.981 2.231 9.585 1.00 0.90 H new ATOM 0 HB2 CYS B 80 11.696 2.827 8.645 1.00 0.89 H new ATOM 0 HB3 CYS B 80 12.073 1.864 7.230 1.00 0.89 H new ATOM 0 HG CYS B 80 10.528 0.252 9.003 1.00 1.03 H new ATOM 2803 N MET B 81 14.866 1.079 6.614 1.00 1.04 N ATOM 2804 CA MET B 81 15.773 0.115 5.970 1.00 1.17 C ATOM 2805 C MET B 81 17.258 0.395 6.254 1.00 1.20 C ATOM 2806 O MET B 81 18.076 -0.505 6.117 1.00 1.30 O ATOM 2807 CB MET B 81 15.454 -0.023 4.486 1.00 1.32 C ATOM 2808 CG MET B 81 15.811 1.197 3.641 1.00 2.05 C ATOM 2809 SD MET B 81 15.041 1.239 2.001 1.00 2.53 S ATOM 2810 CE MET B 81 15.013 -0.532 1.614 1.00 2.68 C ATOM 0 H MET B 81 14.395 1.702 5.958 1.00 1.04 H new ATOM 0 HA MET B 81 15.590 -0.857 6.428 1.00 1.17 H new ATOM 0 HB2 MET B 81 15.987 -0.889 4.093 1.00 1.32 H new ATOM 0 HB3 MET B 81 14.389 -0.226 4.375 1.00 1.32 H new ATOM 0 HG2 MET B 81 15.522 2.096 4.186 1.00 2.05 H new ATOM 0 HG3 MET B 81 16.894 1.233 3.519 1.00 2.05 H new ATOM 0 HE1 MET B 81 14.822 -0.669 0.550 1.00 2.68 H new ATOM 0 HE2 MET B 81 15.975 -0.976 1.870 1.00 2.68 H new ATOM 0 HE3 MET B 81 14.225 -1.018 2.189 1.00 2.68 H new ATOM 2820 N ALA B 82 17.611 1.595 6.727 1.00 1.20 N ATOM 2821 CA ALA B 82 18.942 1.888 7.269 1.00 1.40 C ATOM 2822 C ALA B 82 19.186 1.361 8.708 1.00 1.49 C ATOM 2823 O ALA B 82 20.249 1.637 9.270 1.00 1.81 O ATOM 2824 CB ALA B 82 19.239 3.391 7.129 1.00 1.34 C ATOM 0 H ALA B 82 16.978 2.395 6.745 1.00 1.20 H new ATOM 0 HA ALA B 82 19.658 1.326 6.669 1.00 1.40 H new ATOM 0 HB1 ALA B 82 20.229 3.605 7.533 1.00 1.34 H new ATOM 0 HB2 ALA B 82 19.208 3.672 6.076 1.00 1.34 H new ATOM 0 HB3 ALA B 82 18.491 3.962 7.679 1.00 1.34 H new ATOM 2830 N TYR B 83 18.239 0.625 9.316 1.00 1.38 N ATOM 2831 CA TYR B 83 18.396 0.026 10.659 1.00 1.56 C ATOM 2832 C TYR B 83 17.486 -1.196 10.965 1.00 1.61 C ATOM 2833 O TYR B 83 17.261 -1.502 12.134 1.00 2.10 O ATOM 2834 CB TYR B 83 18.324 1.121 11.754 1.00 1.62 C ATOM 2835 CG TYR B 83 16.973 1.773 12.007 1.00 1.59 C ATOM 2836 CD1 TYR B 83 16.077 1.211 12.934 1.00 2.70 C ATOM 2837 CD2 TYR B 83 16.643 2.999 11.396 1.00 1.76 C ATOM 2838 CE1 TYR B 83 14.852 1.832 13.225 1.00 2.74 C ATOM 2839 CE2 TYR B 83 15.438 3.652 11.709 1.00 1.88 C ATOM 2840 CZ TYR B 83 14.537 3.076 12.633 1.00 1.77 C ATOM 2841 OH TYR B 83 13.400 3.745 12.974 1.00 1.93 O ATOM 0 H TYR B 83 17.335 0.426 8.888 1.00 1.38 H new ATOM 0 HA TYR B 83 19.394 -0.413 10.666 1.00 1.56 H new ATOM 0 HB2 TYR B 83 18.667 0.683 12.691 1.00 1.62 H new ATOM 0 HB3 TYR B 83 19.033 1.906 11.491 1.00 1.62 H new ATOM 0 HD1 TYR B 83 16.335 0.287 13.430 1.00 2.70 H new ATOM 0 HD2 TYR B 83 17.321 3.441 10.681 1.00 1.76 H new ATOM 0 HE1 TYR B 83 14.152 1.360 13.899 1.00 2.74 H new ATOM 0 HE2 TYR B 83 15.200 4.596 11.242 1.00 1.88 H new ATOM 0 HH TYR B 83 13.349 4.582 12.468 1.00 1.93 H new ATOM 2851 N ASN B 84 16.939 -1.887 9.952 1.00 1.39 N ATOM 2852 CA ASN B 84 15.936 -2.947 10.151 1.00 1.48 C ATOM 2853 C ASN B 84 16.298 -4.284 9.451 1.00 1.52 C ATOM 2854 O ASN B 84 16.254 -4.384 8.220 1.00 1.57 O ATOM 2855 CB ASN B 84 14.576 -2.408 9.668 1.00 1.58 C ATOM 2856 CG ASN B 84 13.406 -3.353 9.909 1.00 2.57 C ATOM 2857 OD1 ASN B 84 13.553 -4.500 10.287 1.00 3.61 O ATOM 2858 ND2 ASN B 84 12.188 -2.903 9.690 1.00 3.02 N ATOM 0 H ASN B 84 17.179 -1.727 8.973 1.00 1.39 H new ATOM 0 HA ASN B 84 15.899 -3.192 11.212 1.00 1.48 H new ATOM 0 HB2 ASN B 84 14.374 -1.462 10.171 1.00 1.58 H new ATOM 0 HB3 ASN B 84 14.641 -2.194 8.601 1.00 1.58 H new ATOM 0 HD21 ASN B 84 11.384 -3.514 9.838 1.00 3.02 H new ATOM 0 HD22 ASN B 84 12.048 -1.944 9.373 1.00 3.02 H new ATOM 2865 N ASP B 85 16.528 -5.340 10.246 1.00 2.33 N ATOM 2866 CA ASP B 85 16.786 -6.756 9.901 1.00 2.63 C ATOM 2867 C ASP B 85 15.705 -7.463 9.048 1.00 2.94 C ATOM 2868 O ASP B 85 15.805 -8.659 8.766 1.00 3.14 O ATOM 2869 CB ASP B 85 16.921 -7.570 11.211 1.00 4.31 C ATOM 2870 CG ASP B 85 17.933 -7.028 12.225 1.00 4.51 C ATOM 2871 OD1 ASP B 85 17.682 -5.907 12.722 1.00 4.82 O ATOM 2872 OD2 ASP B 85 18.901 -7.762 12.521 1.00 5.26 O ATOM 0 H ASP B 85 16.540 -5.214 11.258 1.00 2.33 H new ATOM 0 HA ASP B 85 17.690 -6.726 9.293 1.00 2.63 H new ATOM 0 HB2 ASP B 85 15.943 -7.618 11.690 1.00 4.31 H new ATOM 0 HB3 ASP B 85 17.201 -8.592 10.956 1.00 4.31 H new