USER MOD reduce.3.24.130724 H: found=0, std=0, add=1484, rem=0, adj=58 USER MOD reduce.3.24.130724 removed 1486 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 80 SER OG : rot 66:sc= 0.122 USER MOD Set 1.2: B 80 SER OG : rot 64:sc=-0.00159 USER MOD Set 2.1: B 28 LYS NZ :NH3+ -166:sc= 1.1 (180deg=0.815) USER MOD Set 2.2: B 65 ASN : amide:sc= -2.17! C(o=-1.1!,f=-1.6!) USER MOD Set 3.1: A 7 LYS NZ :NH3+ 168:sc= -0.517 (180deg=-0.86) USER MOD Set 3.2: B 44 SER OG : rot 180:sc= -0.0899 USER MOD Set 4.1: B 31 LYS NZ :NH3+ -152:sc= 1.2 (180deg=-0.0203) USER MOD Set 4.2: B 56 GLN : amide:sc= -2.33! C(o=-4.7!,f=-4.4!) USER MOD Set 4.3: B 59 MET CE :methyl -166:sc= -2.78! (180deg=-0.857) USER MOD Set 4.4: B 68 ASN : amide:sc= -0.835! C(o=-4.7!,f=-9!) USER MOD Set 5.1: A 87 ASN : amide:sc= -12! C(o=-11!,f=-7.6!) USER MOD Set 5.2: B 76 SER OG : rot 53:sc= 1.3 USER MOD Set 6.1: A 76 SER OG : rot 81:sc= 1.22 USER MOD Set 6.2: B 87 ASN : amide:sc= -12! C(o=-11!,f=-7.9!) USER MOD Set 7.1: A 28 LYS NZ :NH3+ -166:sc= 1.05 (180deg=0.799) USER MOD Set 7.2: A 65 ASN : amide:sc= -2.06! C(o=-1!,f=-1.5!) USER MOD Set 8.1: A 31 LYS NZ :NH3+ -132:sc= 1.27 (180deg=-0.0303) USER MOD Set 8.2: A 56 GLN : amide:sc= -2.17! C(o=-4.6!,f=-4.2!) USER MOD Set 8.3: A 59 MET CE :methyl -168:sc= -2.76! (180deg=-0.836) USER MOD Set 8.4: A 68 ASN : amide:sc= -0.908! C(o=-4.6!,f=-9.5!) USER MOD Set 9.1: A 44 SER OG : rot 180:sc= -0.0422 USER MOD Set 9.2: B 7 LYS NZ :NH3+ 171:sc= -0.5 (180deg=-0.9) USER MOD Single : A 3 SER OG : rot 22:sc= 0.628 USER MOD Single : A 12 MET CE :methyl -134:sc= -0.28 (180deg=-3.31!) USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 THR OG1 : rot 62:sc= 0.626 USER MOD Single : A 17 HIS : no HD1:sc= -3.51! C(o=-3.5!,f=-3.5!) USER MOD Single : A 18 LYS NZ :NH3+ -163:sc= 0.549 (180deg=0.242) USER MOD Single : A 19 TYR OH : rot 30:sc= -0.597 USER MOD Single : A 20 SER OG : rot 147:sc= 1.31 USER MOD Single : A 22 LYS NZ :NH3+ 144:sc= -0.247 (180deg=-2.23!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 ASN : amide:sc= -3.76! K(o=-3.8!,f=-0.79) USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ -152:sc= 0 (180deg=-0.714) USER MOD Single : A 39 THR OG1 : rot -77:sc= 0.869 USER MOD Single : A 48 LYS NZ :NH3+ -160:sc= -0.051 (180deg=-0.388) USER MOD Single : A 50 THR OG1 : rot 180:sc= 0 USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= -0.0427 (180deg=-0.488) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 61 ASN : amide:sc= -0.874 X(o=-0.87,f=-0.99) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 73 GLN : amide:sc= -2.86! K(o=-2.9!,f=-0.098) USER MOD Single : A 75 TYR OH : rot 96:sc= -4.88! USER MOD Single : A 81 SER OG : rot 72:sc= 1.05 USER MOD Single : A 84 MET CE :methyl 173:sc= -2.06 (180deg=-2.19!) USER MOD Single : A 85 MET CE :methyl -166:sc= -0.298 (180deg=-0.555) USER MOD Single : A 86 SER OG : rot 130:sc= 0.0196 USER MOD Single : A 96 LYS NZ :NH3+ -157:sc= -1.2! (180deg=-2.53!) USER MOD Single : B 3 SER OG : rot 22:sc= 0.695 USER MOD Single : B 12 MET CE :methyl -131:sc= -0.282 (180deg=-3.38!) USER MOD Single : B 14 SER OG : rot 180:sc= 0 USER MOD Single : B 15 THR OG1 : rot 60:sc= 0.606 USER MOD Single : B 17 HIS : no HD1:sc= -3.54! C(o=-3.5!,f=-3.5!) USER MOD Single : B 18 LYS NZ :NH3+ -169:sc= 0.57 (180deg=0.248) USER MOD Single : B 19 TYR OH : rot 30:sc= -0.67 USER MOD Single : B 20 SER OG : rot 148:sc= 1.31 USER MOD Single : B 22 LYS NZ :NH3+ 142:sc= -0.143 (180deg=-2.34!) USER MOD Single : B 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 30 ASN : amide:sc= -3.68! K(o=-3.7!,f=-0.72) USER MOD Single : B 32 SER OG : rot 180:sc= 0 USER MOD Single : B 35 LYS NZ :NH3+ -150:sc= 0 (180deg=-0.814) USER MOD Single : B 39 THR OG1 : rot -78:sc= 0.885 USER MOD Single : B 48 LYS NZ :NH3+ -160:sc= -0.0657 (180deg=-0.406) USER MOD Single : B 50 THR OG1 : rot 180:sc= 0 USER MOD Single : B 57 LYS NZ :NH3+ -163:sc= -0.0534 (180deg=-0.527) USER MOD Single : B 60 SER OG : rot 180:sc= 0 USER MOD Single : B 61 ASN : amide:sc= -0.938 X(o=-0.94,f=-0.99) USER MOD Single : B 64 SER OG : rot 180:sc= 0 USER MOD Single : B 73 GLN : amide:sc= -2.85! K(o=-2.8!,f=-0.1) USER MOD Single : B 75 TYR OH : rot 97:sc= -4.75! USER MOD Single : B 81 SER OG : rot 73:sc= 1.04 USER MOD Single : B 84 MET CE :methyl 173:sc= -2.16 (180deg=-2.24!) USER MOD Single : B 85 MET CE :methyl -169:sc= -0.305 (180deg=-0.505) USER MOD Single : B 86 SER OG : rot -129:sc= 0.0231 USER MOD Single : B 96 LYS NZ :NH3+ -158:sc= -1.31! (180deg=-2.61!) USER MOD ----------------------------------------------------------------- ATOM 30 N SER A 3 -8.558 3.313 12.413 1.00 0.79 N ATOM 31 CA SER A 3 -8.064 4.227 13.437 1.00 0.78 C ATOM 32 C SER A 3 -6.553 4.540 13.170 1.00 0.65 C ATOM 33 O SER A 3 -6.089 4.356 12.046 1.00 0.83 O ATOM 34 CB SER A 3 -8.295 3.546 14.788 1.00 0.97 C ATOM 35 OG SER A 3 -9.512 2.815 14.776 1.00 1.18 O ATOM 0 HA SER A 3 -8.586 5.184 13.426 1.00 0.78 H new ATOM 0 HB2 SER A 3 -7.464 2.876 15.011 1.00 0.97 H new ATOM 0 HB3 SER A 3 -8.322 4.295 15.579 1.00 0.97 H new ATOM 0 HG SER A 3 -9.757 2.603 13.851 1.00 1.18 H new ATOM 41 N PRO A 4 -5.768 5.090 14.131 1.00 0.67 N ATOM 42 CA PRO A 4 -4.314 5.321 13.960 1.00 0.62 C ATOM 43 C PRO A 4 -3.527 4.300 13.094 1.00 0.46 C ATOM 44 O PRO A 4 -2.419 4.605 12.678 1.00 0.50 O ATOM 45 CB PRO A 4 -3.828 5.291 15.400 1.00 0.79 C ATOM 46 CG PRO A 4 -4.913 5.983 16.142 1.00 0.96 C ATOM 47 CD PRO A 4 -6.203 5.588 15.460 1.00 0.87 C ATOM 0 HA PRO A 4 -4.143 6.242 13.402 1.00 0.62 H new ATOM 0 HB2 PRO A 4 -3.685 4.270 15.755 1.00 0.79 H new ATOM 0 HB3 PRO A 4 -2.873 5.804 15.513 1.00 0.79 H new ATOM 0 HG2 PRO A 4 -4.919 5.686 17.191 1.00 0.96 H new ATOM 0 HG3 PRO A 4 -4.774 7.064 16.118 1.00 0.96 H new ATOM 0 HD2 PRO A 4 -6.732 4.818 16.021 1.00 0.87 H new ATOM 0 HD3 PRO A 4 -6.881 6.436 15.366 1.00 0.87 H new ATOM 55 N LEU A 5 -4.076 3.107 12.813 1.00 0.36 N ATOM 56 CA LEU A 5 -3.369 2.123 11.978 1.00 0.32 C ATOM 57 C LEU A 5 -3.214 2.630 10.550 1.00 0.30 C ATOM 58 O LEU A 5 -2.176 2.444 9.930 1.00 0.32 O ATOM 59 CB LEU A 5 -4.081 0.767 11.974 1.00 0.31 C ATOM 60 CG LEU A 5 -3.653 -0.202 10.858 1.00 0.30 C ATOM 61 CD1 LEU A 5 -3.515 -1.603 11.422 1.00 0.40 C ATOM 62 CD2 LEU A 5 -4.656 -0.200 9.701 1.00 0.27 C ATOM 0 H LEU A 5 -4.992 2.804 13.145 1.00 0.36 H new ATOM 0 HA LEU A 5 -2.380 1.987 12.415 1.00 0.32 H new ATOM 0 HB2 LEU A 5 -3.911 0.284 12.936 1.00 0.31 H new ATOM 0 HB3 LEU A 5 -5.154 0.940 11.890 1.00 0.31 H new ATOM 0 HG LEU A 5 -2.692 0.132 10.468 1.00 0.30 H new ATOM 0 HD11 LEU A 5 -3.212 -2.286 10.629 1.00 0.40 H new ATOM 0 HD12 LEU A 5 -2.762 -1.605 12.210 1.00 0.40 H new ATOM 0 HD13 LEU A 5 -4.472 -1.926 11.833 1.00 0.40 H new ATOM 0 HD21 LEU A 5 -4.323 -0.895 8.930 1.00 0.27 H new ATOM 0 HD22 LEU A 5 -5.635 -0.507 10.068 1.00 0.27 H new ATOM 0 HD23 LEU A 5 -4.724 0.803 9.280 1.00 0.27 H new ATOM 74 N GLU A 6 -4.256 3.262 10.036 1.00 0.34 N ATOM 75 CA GLU A 6 -4.207 3.896 8.724 1.00 0.42 C ATOM 76 C GLU A 6 -3.045 4.868 8.663 1.00 0.33 C ATOM 77 O GLU A 6 -2.157 4.777 7.816 1.00 0.31 O ATOM 78 CB GLU A 6 -5.519 4.630 8.501 1.00 0.62 C ATOM 79 CG GLU A 6 -5.521 5.593 7.332 1.00 1.80 C ATOM 80 CD GLU A 6 -4.710 5.118 6.140 1.00 2.84 C ATOM 81 OE1 GLU A 6 -4.875 3.951 5.729 1.00 3.61 O ATOM 82 OE2 GLU A 6 -3.914 5.924 5.619 1.00 3.32 O ATOM 0 H GLU A 6 -5.155 3.351 10.510 1.00 0.34 H new ATOM 0 HA GLU A 6 -4.065 3.145 7.947 1.00 0.42 H new ATOM 0 HB2 GLU A 6 -6.309 3.894 8.348 1.00 0.62 H new ATOM 0 HB3 GLU A 6 -5.768 5.181 9.407 1.00 0.62 H new ATOM 0 HG2 GLU A 6 -6.550 5.761 7.015 1.00 1.80 H new ATOM 0 HG3 GLU A 6 -5.129 6.554 7.665 1.00 1.80 H new ATOM 89 N LYS A 7 -3.048 5.777 9.598 1.00 0.35 N ATOM 90 CA LYS A 7 -2.026 6.785 9.674 1.00 0.36 C ATOM 91 C LYS A 7 -0.696 6.152 10.065 1.00 0.32 C ATOM 92 O LYS A 7 0.363 6.748 9.894 1.00 0.35 O ATOM 93 CB LYS A 7 -2.480 7.914 10.601 1.00 0.44 C ATOM 94 CG LYS A 7 -3.901 8.411 10.280 1.00 0.63 C ATOM 95 CD LYS A 7 -3.998 9.297 9.017 1.00 0.79 C ATOM 96 CE LYS A 7 -3.343 8.673 7.789 1.00 1.78 C ATOM 97 NZ LYS A 7 -3.624 9.432 6.541 1.00 2.82 N ATOM 0 H LYS A 7 -3.758 5.841 10.328 1.00 0.35 H new ATOM 0 HA LYS A 7 -1.863 7.241 8.698 1.00 0.36 H new ATOM 0 HB2 LYS A 7 -2.446 7.567 11.634 1.00 0.44 H new ATOM 0 HB3 LYS A 7 -1.782 8.747 10.521 1.00 0.44 H new ATOM 0 HG2 LYS A 7 -4.555 7.548 10.155 1.00 0.63 H new ATOM 0 HG3 LYS A 7 -4.277 8.974 11.134 1.00 0.63 H new ATOM 0 HD2 LYS A 7 -5.048 9.493 8.800 1.00 0.79 H new ATOM 0 HD3 LYS A 7 -3.529 10.260 9.220 1.00 0.79 H new ATOM 0 HE2 LYS A 7 -2.265 8.622 7.944 1.00 1.78 H new ATOM 0 HE3 LYS A 7 -3.697 7.649 7.674 1.00 1.78 H new ATOM 0 HZ1 LYS A 7 -3.001 9.093 5.781 1.00 2.82 H new ATOM 0 HZ2 LYS A 7 -4.617 9.290 6.265 1.00 2.82 H new ATOM 0 HZ3 LYS A 7 -3.451 10.444 6.704 1.00 2.82 H new ATOM 111 N ALA A 8 -0.767 4.942 10.602 1.00 0.29 N ATOM 112 CA ALA A 8 0.425 4.139 10.846 1.00 0.29 C ATOM 113 C ALA A 8 1.015 3.600 9.541 1.00 0.27 C ATOM 114 O ALA A 8 2.214 3.360 9.464 1.00 0.28 O ATOM 115 CB ALA A 8 0.137 2.993 11.794 1.00 0.32 C ATOM 0 H ALA A 8 -1.640 4.493 10.878 1.00 0.29 H new ATOM 0 HA ALA A 8 1.159 4.797 11.311 1.00 0.29 H new ATOM 0 HB1 ALA A 8 1.047 2.415 11.954 1.00 0.32 H new ATOM 0 HB2 ALA A 8 -0.213 3.389 12.747 1.00 0.32 H new ATOM 0 HB3 ALA A 8 -0.630 2.349 11.364 1.00 0.32 H new ATOM 121 N LEU A 9 0.187 3.392 8.514 1.00 0.26 N ATOM 122 CA LEU A 9 0.731 3.058 7.190 1.00 0.26 C ATOM 123 C LEU A 9 1.475 4.277 6.677 1.00 0.26 C ATOM 124 O LEU A 9 2.459 4.188 5.946 1.00 0.26 O ATOM 125 CB LEU A 9 -0.352 2.676 6.169 1.00 0.26 C ATOM 126 CG LEU A 9 -1.620 2.046 6.732 1.00 0.25 C ATOM 127 CD1 LEU A 9 -2.579 1.700 5.609 1.00 0.33 C ATOM 128 CD2 LEU A 9 -1.311 0.816 7.561 1.00 0.27 C ATOM 0 H LEU A 9 -0.830 3.446 8.565 1.00 0.26 H new ATOM 0 HA LEU A 9 1.380 2.190 7.303 1.00 0.26 H new ATOM 0 HB2 LEU A 9 -0.632 3.573 5.616 1.00 0.26 H new ATOM 0 HB3 LEU A 9 0.085 1.982 5.451 1.00 0.26 H new ATOM 0 HG LEU A 9 -2.091 2.777 7.389 1.00 0.25 H new ATOM 0 HD11 LEU A 9 -3.480 1.251 6.026 1.00 0.33 H new ATOM 0 HD12 LEU A 9 -2.844 2.606 5.064 1.00 0.33 H new ATOM 0 HD13 LEU A 9 -2.103 0.994 4.929 1.00 0.33 H new ATOM 0 HD21 LEU A 9 -2.239 0.394 7.946 1.00 0.27 H new ATOM 0 HD22 LEU A 9 -0.806 0.076 6.940 1.00 0.27 H new ATOM 0 HD23 LEU A 9 -0.665 1.092 8.394 1.00 0.27 H new ATOM 140 N ASP A 10 0.982 5.428 7.082 1.00 0.27 N ATOM 141 CA ASP A 10 1.673 6.686 6.822 1.00 0.29 C ATOM 142 C ASP A 10 2.962 6.739 7.647 1.00 0.27 C ATOM 143 O ASP A 10 3.983 7.283 7.209 1.00 0.28 O ATOM 144 CB ASP A 10 0.767 7.874 7.149 1.00 0.33 C ATOM 145 CG ASP A 10 1.428 9.214 6.897 1.00 0.38 C ATOM 146 OD1 ASP A 10 1.327 9.731 5.764 1.00 1.16 O ATOM 147 OD2 ASP A 10 2.030 9.767 7.840 1.00 1.18 O ATOM 0 H ASP A 10 0.105 5.525 7.594 1.00 0.27 H new ATOM 0 HA ASP A 10 1.928 6.744 5.764 1.00 0.29 H new ATOM 0 HB2 ASP A 10 -0.141 7.806 6.551 1.00 0.33 H new ATOM 0 HB3 ASP A 10 0.465 7.816 8.195 1.00 0.33 H new ATOM 152 N VAL A 11 2.921 6.139 8.835 1.00 0.27 N ATOM 153 CA VAL A 11 4.108 5.993 9.657 1.00 0.27 C ATOM 154 C VAL A 11 5.083 5.028 8.989 1.00 0.27 C ATOM 155 O VAL A 11 6.288 5.108 9.203 1.00 0.29 O ATOM 156 CB VAL A 11 3.755 5.498 11.078 1.00 0.28 C ATOM 157 CG1 VAL A 11 5.007 5.245 11.899 1.00 0.31 C ATOM 158 CG2 VAL A 11 2.864 6.504 11.782 1.00 0.31 C ATOM 0 H VAL A 11 2.074 5.747 9.246 1.00 0.27 H new ATOM 0 HA VAL A 11 4.576 6.972 9.755 1.00 0.27 H new ATOM 0 HB VAL A 11 3.217 4.555 10.979 1.00 0.28 H new ATOM 0 HG11 VAL A 11 4.726 4.898 12.893 1.00 0.31 H new ATOM 0 HG12 VAL A 11 5.617 4.486 11.408 1.00 0.31 H new ATOM 0 HG13 VAL A 11 5.578 6.169 11.985 1.00 0.31 H new ATOM 0 HG21 VAL A 11 2.624 6.141 12.781 1.00 0.31 H new ATOM 0 HG22 VAL A 11 3.383 7.459 11.858 1.00 0.31 H new ATOM 0 HG23 VAL A 11 1.943 6.635 11.213 1.00 0.31 H new ATOM 168 N MET A 12 4.549 4.121 8.174 1.00 0.26 N ATOM 169 CA MET A 12 5.371 3.246 7.342 1.00 0.29 C ATOM 170 C MET A 12 6.233 4.082 6.406 1.00 0.29 C ATOM 171 O MET A 12 7.424 3.825 6.253 1.00 0.34 O ATOM 172 CB MET A 12 4.490 2.272 6.542 1.00 0.32 C ATOM 173 CG MET A 12 5.216 1.527 5.439 1.00 0.98 C ATOM 174 SD MET A 12 5.432 2.498 3.928 1.00 2.23 S ATOM 175 CE MET A 12 3.734 2.718 3.401 1.00 2.75 C ATOM 0 H MET A 12 3.545 3.973 8.072 1.00 0.26 H new ATOM 0 HA MET A 12 6.022 2.657 7.988 1.00 0.29 H new ATOM 0 HB2 MET A 12 4.057 1.545 7.230 1.00 0.32 H new ATOM 0 HB3 MET A 12 3.662 2.828 6.103 1.00 0.32 H new ATOM 0 HG2 MET A 12 6.195 1.217 5.805 1.00 0.98 H new ATOM 0 HG3 MET A 12 4.663 0.618 5.201 1.00 0.98 H new ATOM 0 HE1 MET A 12 3.655 2.512 2.334 1.00 2.75 H new ATOM 0 HE2 MET A 12 3.090 2.032 3.952 1.00 2.75 H new ATOM 0 HE3 MET A 12 3.422 3.744 3.597 1.00 2.75 H new ATOM 185 N VAL A 13 5.620 5.088 5.791 1.00 0.29 N ATOM 186 CA VAL A 13 6.345 6.030 4.943 1.00 0.31 C ATOM 187 C VAL A 13 7.515 6.641 5.722 1.00 0.27 C ATOM 188 O VAL A 13 8.629 6.807 5.206 1.00 0.27 O ATOM 189 CB VAL A 13 5.408 7.155 4.441 1.00 0.37 C ATOM 190 CG1 VAL A 13 6.147 8.119 3.529 1.00 0.41 C ATOM 191 CG2 VAL A 13 4.198 6.567 3.726 1.00 0.42 C ATOM 0 H VAL A 13 4.620 5.273 5.864 1.00 0.29 H new ATOM 0 HA VAL A 13 6.728 5.487 4.079 1.00 0.31 H new ATOM 0 HB VAL A 13 5.061 7.713 5.311 1.00 0.37 H new ATOM 0 HG11 VAL A 13 5.463 8.898 3.192 1.00 0.41 H new ATOM 0 HG12 VAL A 13 6.975 8.573 4.074 1.00 0.41 H new ATOM 0 HG13 VAL A 13 6.534 7.578 2.665 1.00 0.41 H new ATOM 0 HG21 VAL A 13 3.552 7.374 3.381 1.00 0.42 H new ATOM 0 HG22 VAL A 13 4.531 5.978 2.871 1.00 0.42 H new ATOM 0 HG23 VAL A 13 3.644 5.928 4.414 1.00 0.42 H new ATOM 201 N SER A 14 7.261 6.947 6.984 1.00 0.26 N ATOM 202 CA SER A 14 8.297 7.469 7.858 1.00 0.26 C ATOM 203 C SER A 14 9.315 6.382 8.210 1.00 0.25 C ATOM 204 O SER A 14 10.509 6.658 8.342 1.00 0.26 O ATOM 205 CB SER A 14 7.667 8.056 9.120 1.00 0.31 C ATOM 206 OG SER A 14 6.640 8.980 8.795 1.00 1.18 O ATOM 0 H SER A 14 6.347 6.843 7.425 1.00 0.26 H new ATOM 0 HA SER A 14 8.829 8.262 7.333 1.00 0.26 H new ATOM 0 HB2 SER A 14 7.258 7.253 9.733 1.00 0.31 H new ATOM 0 HB3 SER A 14 8.433 8.553 9.715 1.00 0.31 H new ATOM 0 HG SER A 14 6.251 9.340 9.619 1.00 1.18 H new ATOM 212 N THR A 15 8.839 5.151 8.333 1.00 0.28 N ATOM 213 CA THR A 15 9.703 4.011 8.586 1.00 0.32 C ATOM 214 C THR A 15 10.690 3.858 7.427 1.00 0.28 C ATOM 215 O THR A 15 11.862 3.499 7.612 1.00 0.29 O ATOM 216 CB THR A 15 8.875 2.720 8.759 1.00 0.45 C ATOM 217 OG1 THR A 15 7.803 2.955 9.684 1.00 0.59 O ATOM 218 CG2 THR A 15 9.743 1.593 9.287 1.00 0.93 C ATOM 0 H THR A 15 7.849 4.917 8.260 1.00 0.28 H new ATOM 0 HA THR A 15 10.252 4.182 9.512 1.00 0.32 H new ATOM 0 HB THR A 15 8.475 2.435 7.786 1.00 0.45 H new ATOM 0 HG1 THR A 15 7.212 3.651 9.329 1.00 0.59 H new ATOM 0 HG21 THR A 15 9.140 0.692 9.402 1.00 0.93 H new ATOM 0 HG22 THR A 15 10.554 1.399 8.585 1.00 0.93 H new ATOM 0 HG23 THR A 15 10.159 1.877 10.254 1.00 0.93 H new ATOM 226 N PHE A 16 10.203 4.164 6.227 1.00 0.27 N ATOM 227 CA PHE A 16 11.026 4.143 5.033 1.00 0.27 C ATOM 228 C PHE A 16 12.212 5.082 5.176 1.00 0.29 C ATOM 229 O PHE A 16 13.352 4.635 5.127 1.00 0.37 O ATOM 230 CB PHE A 16 10.197 4.485 3.786 1.00 0.34 C ATOM 231 CG PHE A 16 11.012 4.553 2.527 1.00 0.83 C ATOM 232 CD1 PHE A 16 11.610 5.738 2.133 1.00 1.73 C ATOM 233 CD2 PHE A 16 11.186 3.429 1.742 1.00 1.65 C ATOM 234 CE1 PHE A 16 12.367 5.800 0.983 1.00 2.34 C ATOM 235 CE2 PHE A 16 11.945 3.486 0.591 1.00 2.27 C ATOM 236 CZ PHE A 16 12.536 4.671 0.212 1.00 2.36 C ATOM 0 H PHE A 16 9.233 4.431 6.061 1.00 0.27 H new ATOM 0 HA PHE A 16 11.412 3.131 4.908 1.00 0.27 H new ATOM 0 HB2 PHE A 16 9.414 3.737 3.663 1.00 0.34 H new ATOM 0 HB3 PHE A 16 9.701 5.443 3.941 1.00 0.34 H new ATOM 0 HD1 PHE A 16 11.482 6.626 2.735 1.00 1.73 H new ATOM 0 HD2 PHE A 16 10.724 2.497 2.032 1.00 1.65 H new ATOM 0 HE1 PHE A 16 12.827 6.731 0.687 1.00 2.34 H new ATOM 0 HE2 PHE A 16 12.076 2.601 -0.013 1.00 2.27 H new ATOM 0 HZ PHE A 16 13.131 4.715 -0.688 1.00 2.36 H new ATOM 246 N HIS A 17 11.955 6.371 5.395 1.00 0.30 N ATOM 247 CA HIS A 17 13.053 7.339 5.466 1.00 0.40 C ATOM 248 C HIS A 17 13.969 7.062 6.656 1.00 0.36 C ATOM 249 O HIS A 17 15.081 7.582 6.721 1.00 0.42 O ATOM 250 CB HIS A 17 12.542 8.789 5.485 1.00 0.59 C ATOM 251 CG HIS A 17 11.869 9.240 6.752 1.00 0.81 C ATOM 252 ND1 HIS A 17 12.515 9.359 7.965 1.00 1.53 N ATOM 253 CD2 HIS A 17 10.597 9.642 6.971 1.00 1.78 C ATOM 254 CE1 HIS A 17 11.670 9.811 8.870 1.00 2.03 C ATOM 255 NE2 HIS A 17 10.498 9.994 8.294 1.00 2.20 N ATOM 0 H HIS A 17 11.022 6.764 5.524 1.00 0.30 H new ATOM 0 HA HIS A 17 13.642 7.215 4.557 1.00 0.40 H new ATOM 0 HB2 HIS A 17 13.385 9.452 5.290 1.00 0.59 H new ATOM 0 HB3 HIS A 17 11.840 8.916 4.661 1.00 0.59 H new ATOM 0 HD2 HIS A 17 9.804 9.679 6.239 1.00 1.78 H new ATOM 0 HE1 HIS A 17 11.899 10.000 9.908 1.00 2.03 H new ATOM 0 HE2 HIS A 17 9.657 10.340 8.755 1.00 2.20 H new ATOM 264 N LYS A 18 13.498 6.248 7.594 1.00 0.34 N ATOM 265 CA LYS A 18 14.333 5.794 8.695 1.00 0.39 C ATOM 266 C LYS A 18 15.489 4.963 8.159 1.00 0.37 C ATOM 267 O LYS A 18 16.651 5.222 8.468 1.00 0.47 O ATOM 268 CB LYS A 18 13.509 4.965 9.683 1.00 0.43 C ATOM 269 CG LYS A 18 14.347 4.226 10.722 1.00 0.55 C ATOM 270 CD LYS A 18 13.471 3.460 11.706 1.00 0.73 C ATOM 271 CE LYS A 18 12.667 2.372 11.010 1.00 0.80 C ATOM 272 NZ LYS A 18 11.861 1.558 11.960 1.00 1.28 N ATOM 0 H LYS A 18 12.543 5.890 7.612 1.00 0.34 H new ATOM 0 HA LYS A 18 14.729 6.666 9.216 1.00 0.39 H new ATOM 0 HB2 LYS A 18 12.808 5.622 10.197 1.00 0.43 H new ATOM 0 HB3 LYS A 18 12.916 4.239 9.127 1.00 0.43 H new ATOM 0 HG2 LYS A 18 15.023 3.534 10.220 1.00 0.55 H new ATOM 0 HG3 LYS A 18 14.967 4.939 11.265 1.00 0.55 H new ATOM 0 HD2 LYS A 18 14.096 3.013 12.479 1.00 0.73 H new ATOM 0 HD3 LYS A 18 12.792 4.152 12.205 1.00 0.73 H new ATOM 0 HE2 LYS A 18 12.004 2.829 10.276 1.00 0.80 H new ATOM 0 HE3 LYS A 18 13.346 1.718 10.463 1.00 0.80 H new ATOM 0 HZ1 LYS A 18 11.568 0.674 11.497 1.00 1.28 H new ATOM 0 HZ2 LYS A 18 12.433 1.336 12.799 1.00 1.28 H new ATOM 0 HZ3 LYS A 18 11.018 2.094 12.248 1.00 1.28 H new ATOM 286 N TYR A 19 15.161 3.974 7.338 1.00 0.29 N ATOM 287 CA TYR A 19 16.172 3.085 6.787 1.00 0.29 C ATOM 288 C TYR A 19 16.794 3.628 5.513 1.00 0.33 C ATOM 289 O TYR A 19 17.876 3.204 5.155 1.00 0.44 O ATOM 290 CB TYR A 19 15.604 1.687 6.556 1.00 0.31 C ATOM 291 CG TYR A 19 15.764 0.789 7.757 1.00 0.36 C ATOM 292 CD1 TYR A 19 14.839 0.806 8.786 1.00 1.28 C ATOM 293 CD2 TYR A 19 16.857 -0.056 7.870 1.00 1.23 C ATOM 294 CE1 TYR A 19 14.996 0.001 9.898 1.00 1.35 C ATOM 295 CE2 TYR A 19 17.024 -0.860 8.981 1.00 1.26 C ATOM 296 CZ TYR A 19 16.090 -0.826 9.990 1.00 0.62 C ATOM 297 OH TYR A 19 16.255 -1.616 11.102 1.00 0.79 O ATOM 0 H TYR A 19 14.207 3.769 7.041 1.00 0.29 H new ATOM 0 HA TYR A 19 16.969 3.021 7.528 1.00 0.29 H new ATOM 0 HB2 TYR A 19 14.546 1.766 6.305 1.00 0.31 H new ATOM 0 HB3 TYR A 19 16.102 1.234 5.699 1.00 0.31 H new ATOM 0 HD1 TYR A 19 13.981 1.459 8.719 1.00 1.28 H new ATOM 0 HD2 TYR A 19 17.590 -0.086 7.077 1.00 1.23 H new ATOM 0 HE1 TYR A 19 14.263 0.022 10.691 1.00 1.35 H new ATOM 0 HE2 TYR A 19 17.882 -1.511 9.057 1.00 1.26 H new ATOM 0 HH TYR A 19 15.377 -1.850 11.470 1.00 0.79 H new ATOM 307 N SER A 20 16.109 4.541 4.830 1.00 0.29 N ATOM 308 CA SER A 20 16.669 5.203 3.657 1.00 0.32 C ATOM 309 C SER A 20 17.567 6.353 4.079 1.00 0.40 C ATOM 310 O SER A 20 18.302 6.909 3.280 1.00 0.60 O ATOM 311 CB SER A 20 15.544 5.737 2.774 1.00 0.35 C ATOM 312 OG SER A 20 14.564 4.743 2.578 1.00 0.86 O ATOM 0 H SER A 20 15.164 4.839 5.070 1.00 0.29 H new ATOM 0 HA SER A 20 17.258 4.477 3.097 1.00 0.32 H new ATOM 0 HB2 SER A 20 15.094 6.615 3.237 1.00 0.35 H new ATOM 0 HB3 SER A 20 15.947 6.055 1.812 1.00 0.35 H new ATOM 0 HG SER A 20 13.682 5.164 2.500 1.00 0.86 H new ATOM 318 N GLY A 21 17.492 6.730 5.339 1.00 0.37 N ATOM 319 CA GLY A 21 18.281 7.841 5.800 1.00 0.43 C ATOM 320 C GLY A 21 19.524 7.415 6.540 1.00 0.41 C ATOM 321 O GLY A 21 19.977 8.107 7.452 1.00 0.46 O ATOM 0 H GLY A 21 16.903 6.290 6.046 1.00 0.37 H new ATOM 0 HA2 GLY A 21 18.566 8.456 4.946 1.00 0.43 H new ATOM 0 HA3 GLY A 21 17.672 8.466 6.454 1.00 0.43 H new ATOM 325 N LYS A 22 20.085 6.282 6.160 1.00 0.40 N ATOM 326 CA LYS A 22 21.278 5.776 6.819 1.00 0.46 C ATOM 327 C LYS A 22 22.507 5.910 5.918 1.00 0.52 C ATOM 328 O LYS A 22 23.594 6.271 6.374 1.00 0.65 O ATOM 329 CB LYS A 22 21.081 4.319 7.210 1.00 0.47 C ATOM 330 CG LYS A 22 19.793 4.050 7.963 1.00 0.60 C ATOM 331 CD LYS A 22 19.681 2.596 8.407 1.00 0.56 C ATOM 332 CE LYS A 22 19.849 1.611 7.251 1.00 0.49 C ATOM 333 NZ LYS A 22 21.277 1.310 6.966 1.00 1.08 N ATOM 0 H LYS A 22 19.737 5.696 5.402 1.00 0.40 H new ATOM 0 HA LYS A 22 21.446 6.372 7.716 1.00 0.46 H new ATOM 0 HB2 LYS A 22 21.097 3.706 6.309 1.00 0.47 H new ATOM 0 HB3 LYS A 22 21.923 4.002 7.826 1.00 0.47 H new ATOM 0 HG2 LYS A 22 19.742 4.700 8.836 1.00 0.60 H new ATOM 0 HG3 LYS A 22 18.943 4.301 7.328 1.00 0.60 H new ATOM 0 HD2 LYS A 22 20.438 2.393 9.165 1.00 0.56 H new ATOM 0 HD3 LYS A 22 18.710 2.437 8.876 1.00 0.56 H new ATOM 0 HE2 LYS A 22 19.325 0.685 7.487 1.00 0.49 H new ATOM 0 HE3 LYS A 22 19.381 2.022 6.356 1.00 0.49 H new ATOM 0 HZ1 LYS A 22 21.372 0.313 6.685 1.00 1.08 H new ATOM 0 HZ2 LYS A 22 21.613 1.921 6.194 1.00 1.08 H new ATOM 0 HZ3 LYS A 22 21.846 1.485 7.819 1.00 1.08 H new ATOM 347 N GLU A 23 22.323 5.616 4.640 1.00 0.47 N ATOM 348 CA GLU A 23 23.404 5.629 3.665 1.00 0.55 C ATOM 349 C GLU A 23 22.859 6.043 2.299 1.00 0.58 C ATOM 350 O GLU A 23 21.697 5.807 2.003 1.00 0.64 O ATOM 351 CB GLU A 23 24.029 4.230 3.584 1.00 0.67 C ATOM 352 CG GLU A 23 25.193 4.117 2.614 1.00 1.15 C ATOM 353 CD GLU A 23 26.369 4.984 3.007 1.00 1.59 C ATOM 354 OE1 GLU A 23 27.246 4.504 3.755 1.00 2.38 O ATOM 355 OE2 GLU A 23 26.427 6.150 2.566 1.00 1.96 O ATOM 0 H GLU A 23 21.417 5.361 4.248 1.00 0.47 H new ATOM 0 HA GLU A 23 24.167 6.345 3.970 1.00 0.55 H new ATOM 0 HB2 GLU A 23 24.371 3.940 4.578 1.00 0.67 H new ATOM 0 HB3 GLU A 23 23.258 3.517 3.292 1.00 0.67 H new ATOM 0 HG2 GLU A 23 25.516 3.077 2.560 1.00 1.15 H new ATOM 0 HG3 GLU A 23 24.857 4.399 1.616 1.00 1.15 H new ATOM 362 N GLY A 24 23.683 6.678 1.483 1.00 0.72 N ATOM 363 CA GLY A 24 23.264 7.026 0.137 1.00 0.85 C ATOM 364 C GLY A 24 22.292 8.191 0.093 1.00 0.79 C ATOM 365 O GLY A 24 22.690 9.343 0.273 1.00 0.92 O ATOM 0 H GLY A 24 24.633 6.960 1.724 1.00 0.72 H new ATOM 0 HA2 GLY A 24 24.144 7.273 -0.457 1.00 0.85 H new ATOM 0 HA3 GLY A 24 22.799 6.156 -0.328 1.00 0.85 H new ATOM 369 N ASP A 25 21.014 7.895 -0.122 1.00 0.71 N ATOM 370 CA ASP A 25 20.008 8.935 -0.323 1.00 0.70 C ATOM 371 C ASP A 25 18.816 8.730 0.606 1.00 0.73 C ATOM 372 O ASP A 25 18.346 7.617 0.776 1.00 1.34 O ATOM 373 CB ASP A 25 19.535 8.933 -1.776 1.00 0.73 C ATOM 374 CG ASP A 25 18.609 10.088 -2.091 1.00 1.04 C ATOM 375 OD1 ASP A 25 19.105 11.225 -2.250 1.00 1.65 O ATOM 376 OD2 ASP A 25 17.391 9.866 -2.195 1.00 1.75 O ATOM 0 H ASP A 25 20.649 6.943 -0.162 1.00 0.71 H new ATOM 0 HA ASP A 25 20.465 9.897 -0.091 1.00 0.70 H new ATOM 0 HB2 ASP A 25 20.401 8.977 -2.436 1.00 0.73 H new ATOM 0 HB3 ASP A 25 19.022 7.994 -1.986 1.00 0.73 H new ATOM 381 N LYS A 26 18.295 9.825 1.145 1.00 0.61 N ATOM 382 CA LYS A 26 17.263 9.782 2.186 1.00 0.56 C ATOM 383 C LYS A 26 15.887 9.553 1.593 1.00 0.49 C ATOM 384 O LYS A 26 14.871 9.661 2.281 1.00 0.55 O ATOM 385 CB LYS A 26 17.248 11.090 2.976 1.00 0.71 C ATOM 386 CG LYS A 26 18.271 11.145 4.088 1.00 1.03 C ATOM 387 CD LYS A 26 17.626 10.840 5.431 1.00 0.70 C ATOM 388 CE LYS A 26 16.725 11.974 5.897 1.00 0.94 C ATOM 389 NZ LYS A 26 16.167 11.720 7.253 1.00 1.56 N ATOM 0 H LYS A 26 18.572 10.769 0.877 1.00 0.61 H new ATOM 0 HA LYS A 26 17.505 8.950 2.848 1.00 0.56 H new ATOM 0 HB2 LYS A 26 17.425 11.919 2.291 1.00 0.71 H new ATOM 0 HB3 LYS A 26 16.255 11.235 3.401 1.00 0.71 H new ATOM 0 HG2 LYS A 26 19.068 10.428 3.891 1.00 1.03 H new ATOM 0 HG3 LYS A 26 18.731 12.133 4.116 1.00 1.03 H new ATOM 0 HD2 LYS A 26 17.044 9.922 5.354 1.00 0.70 H new ATOM 0 HD3 LYS A 26 18.403 10.664 6.175 1.00 0.70 H new ATOM 0 HE2 LYS A 26 17.290 12.906 5.906 1.00 0.94 H new ATOM 0 HE3 LYS A 26 15.908 12.103 5.187 1.00 0.94 H new ATOM 0 HZ1 LYS A 26 15.559 12.516 7.533 1.00 1.56 H new ATOM 0 HZ2 LYS A 26 15.606 10.844 7.239 1.00 1.56 H new ATOM 0 HZ3 LYS A 26 16.945 11.622 7.936 1.00 1.56 H new ATOM 403 N PHE A 27 15.864 9.250 0.317 1.00 0.45 N ATOM 404 CA PHE A 27 14.623 9.041 -0.389 1.00 0.44 C ATOM 405 C PHE A 27 14.685 7.724 -1.124 1.00 0.40 C ATOM 406 O PHE A 27 13.713 7.313 -1.761 1.00 0.40 O ATOM 407 CB PHE A 27 14.355 10.185 -1.375 1.00 0.50 C ATOM 408 CG PHE A 27 14.344 11.549 -0.739 1.00 0.78 C ATOM 409 CD1 PHE A 27 13.185 12.056 -0.176 1.00 1.28 C ATOM 410 CD2 PHE A 27 15.495 12.319 -0.701 1.00 1.76 C ATOM 411 CE1 PHE A 27 13.174 13.306 0.413 1.00 1.59 C ATOM 412 CE2 PHE A 27 15.489 13.569 -0.113 1.00 2.09 C ATOM 413 CZ PHE A 27 14.327 14.062 0.445 1.00 1.65 C ATOM 0 H PHE A 27 16.700 9.142 -0.258 1.00 0.45 H new ATOM 0 HA PHE A 27 13.806 9.021 0.332 1.00 0.44 H new ATOM 0 HB2 PHE A 27 15.116 10.165 -2.155 1.00 0.50 H new ATOM 0 HB3 PHE A 27 13.395 10.014 -1.862 1.00 0.50 H new ATOM 0 HD1 PHE A 27 12.279 11.468 -0.197 1.00 1.28 H new ATOM 0 HD2 PHE A 27 16.407 11.938 -1.136 1.00 1.76 H new ATOM 0 HE1 PHE A 27 12.263 13.691 0.848 1.00 1.59 H new ATOM 0 HE2 PHE A 27 16.393 14.160 -0.090 1.00 2.09 H new ATOM 0 HZ PHE A 27 14.321 15.039 0.906 1.00 1.65 H new ATOM 423 N LYS A 28 15.830 7.053 -1.022 1.00 0.39 N ATOM 424 CA LYS A 28 16.033 5.812 -1.730 1.00 0.36 C ATOM 425 C LYS A 28 16.885 4.835 -0.948 1.00 0.34 C ATOM 426 O LYS A 28 17.938 5.180 -0.424 1.00 0.38 O ATOM 427 CB LYS A 28 16.665 6.039 -3.101 1.00 0.40 C ATOM 428 CG LYS A 28 15.771 6.765 -4.081 1.00 0.49 C ATOM 429 CD LYS A 28 15.942 6.200 -5.481 1.00 0.56 C ATOM 430 CE LYS A 28 14.875 6.711 -6.430 1.00 0.86 C ATOM 431 NZ LYS A 28 14.468 5.677 -7.424 1.00 1.70 N ATOM 0 H LYS A 28 16.623 7.354 -0.456 1.00 0.39 H new ATOM 0 HA LYS A 28 15.040 5.381 -1.860 1.00 0.36 H new ATOM 0 HB2 LYS A 28 17.586 6.609 -2.975 1.00 0.40 H new ATOM 0 HB3 LYS A 28 16.943 5.074 -3.525 1.00 0.40 H new ATOM 0 HG2 LYS A 28 14.730 6.672 -3.770 1.00 0.49 H new ATOM 0 HG3 LYS A 28 16.010 7.828 -4.081 1.00 0.49 H new ATOM 0 HD2 LYS A 28 16.927 6.468 -5.863 1.00 0.56 H new ATOM 0 HD3 LYS A 28 15.901 5.111 -5.441 1.00 0.56 H new ATOM 0 HE2 LYS A 28 14.003 7.027 -5.858 1.00 0.86 H new ATOM 0 HE3 LYS A 28 15.248 7.591 -6.954 1.00 0.86 H new ATOM 0 HZ1 LYS A 28 13.925 6.126 -8.189 1.00 1.70 H new ATOM 0 HZ2 LYS A 28 15.316 5.224 -7.821 1.00 1.70 H new ATOM 0 HZ3 LYS A 28 13.879 4.959 -6.956 1.00 1.70 H new ATOM 445 N LEU A 29 16.426 3.600 -0.917 1.00 0.31 N ATOM 446 CA LEU A 29 17.144 2.528 -0.268 1.00 0.28 C ATOM 447 C LEU A 29 18.083 1.850 -1.241 1.00 0.31 C ATOM 448 O LEU A 29 17.652 1.127 -2.144 1.00 0.33 O ATOM 449 CB LEU A 29 16.177 1.485 0.274 1.00 0.26 C ATOM 450 CG LEU A 29 15.214 1.971 1.332 1.00 0.26 C ATOM 451 CD1 LEU A 29 13.982 1.100 1.328 1.00 0.28 C ATOM 452 CD2 LEU A 29 15.880 1.930 2.692 1.00 0.25 C ATOM 0 H LEU A 29 15.544 3.314 -1.342 1.00 0.31 H new ATOM 0 HA LEU A 29 17.714 2.964 0.552 1.00 0.28 H new ATOM 0 HB2 LEU A 29 15.600 1.083 -0.559 1.00 0.26 H new ATOM 0 HB3 LEU A 29 16.756 0.660 0.688 1.00 0.26 H new ATOM 0 HG LEU A 29 14.925 2.999 1.116 1.00 0.26 H new ATOM 0 HD11 LEU A 29 13.287 1.450 2.091 1.00 0.28 H new ATOM 0 HD12 LEU A 29 13.503 1.151 0.350 1.00 0.28 H new ATOM 0 HD13 LEU A 29 14.265 0.069 1.540 1.00 0.28 H new ATOM 0 HD21 LEU A 29 15.181 2.282 3.450 1.00 0.25 H new ATOM 0 HD22 LEU A 29 16.179 0.907 2.920 1.00 0.25 H new ATOM 0 HD23 LEU A 29 16.761 2.572 2.685 1.00 0.25 H new ATOM 464 N ASN A 30 19.358 2.077 -1.039 1.00 0.32 N ATOM 465 CA ASN A 30 20.394 1.344 -1.741 1.00 0.36 C ATOM 466 C ASN A 30 20.407 -0.067 -1.201 1.00 0.33 C ATOM 467 O ASN A 30 19.822 -0.309 -0.150 1.00 0.30 O ATOM 468 CB ASN A 30 21.739 2.043 -1.538 1.00 0.42 C ATOM 469 CG ASN A 30 21.975 2.412 -0.088 1.00 0.44 C ATOM 470 OD1 ASN A 30 22.686 1.715 0.640 1.00 0.56 O ATOM 471 ND2 ASN A 30 21.334 3.488 0.353 1.00 0.43 N ATOM 0 H ASN A 30 19.711 2.774 -0.384 1.00 0.32 H new ATOM 0 HA ASN A 30 20.203 1.313 -2.814 1.00 0.36 H new ATOM 0 HB2 ASN A 30 22.542 1.390 -1.881 1.00 0.42 H new ATOM 0 HB3 ASN A 30 21.776 2.943 -2.152 1.00 0.42 H new ATOM 0 HD21 ASN A 30 21.419 3.768 1.330 1.00 0.43 H new ATOM 0 HD22 ASN A 30 20.756 4.035 -0.285 1.00 0.43 H new ATOM 478 N LYS A 31 21.047 -0.998 -1.901 1.00 0.35 N ATOM 479 CA LYS A 31 20.940 -2.410 -1.543 1.00 0.34 C ATOM 480 C LYS A 31 21.226 -2.632 -0.064 1.00 0.31 C ATOM 481 O LYS A 31 20.551 -3.423 0.583 1.00 0.31 O ATOM 482 CB LYS A 31 21.891 -3.287 -2.356 1.00 0.41 C ATOM 483 CG LYS A 31 21.652 -3.260 -3.857 1.00 0.68 C ATOM 484 CD LYS A 31 22.285 -4.468 -4.532 1.00 0.71 C ATOM 485 CE LYS A 31 22.428 -4.264 -6.031 1.00 1.15 C ATOM 486 NZ LYS A 31 23.554 -3.351 -6.360 1.00 1.99 N ATOM 0 H LYS A 31 21.638 -0.805 -2.710 1.00 0.35 H new ATOM 0 HA LYS A 31 19.913 -2.697 -1.769 1.00 0.34 H new ATOM 0 HB2 LYS A 31 22.915 -2.969 -2.159 1.00 0.41 H new ATOM 0 HB3 LYS A 31 21.804 -4.316 -2.006 1.00 0.41 H new ATOM 0 HG2 LYS A 31 20.581 -3.246 -4.058 1.00 0.68 H new ATOM 0 HG3 LYS A 31 22.067 -2.344 -4.278 1.00 0.68 H new ATOM 0 HD2 LYS A 31 23.266 -4.656 -4.095 1.00 0.71 H new ATOM 0 HD3 LYS A 31 21.676 -5.352 -4.342 1.00 0.71 H new ATOM 0 HE2 LYS A 31 22.588 -5.227 -6.515 1.00 1.15 H new ATOM 0 HE3 LYS A 31 21.500 -3.856 -6.432 1.00 1.15 H new ATOM 0 HZ1 LYS A 31 23.232 -2.634 -7.041 1.00 1.99 H new ATOM 0 HZ2 LYS A 31 23.884 -2.881 -5.493 1.00 1.99 H new ATOM 0 HZ3 LYS A 31 24.334 -3.898 -6.776 1.00 1.99 H new ATOM 500 N SER A 32 22.213 -1.921 0.465 1.00 0.34 N ATOM 501 CA SER A 32 22.582 -2.052 1.867 1.00 0.37 C ATOM 502 C SER A 32 21.377 -1.755 2.759 1.00 0.34 C ATOM 503 O SER A 32 20.972 -2.589 3.570 1.00 0.38 O ATOM 504 CB SER A 32 23.740 -1.103 2.195 1.00 0.45 C ATOM 505 OG SER A 32 24.261 -1.349 3.491 1.00 1.33 O ATOM 0 H SER A 32 22.773 -1.247 -0.057 1.00 0.34 H new ATOM 0 HA SER A 32 22.906 -3.076 2.055 1.00 0.37 H new ATOM 0 HB2 SER A 32 24.531 -1.223 1.455 1.00 0.45 H new ATOM 0 HB3 SER A 32 23.396 -0.071 2.130 1.00 0.45 H new ATOM 0 HG SER A 32 24.999 -0.729 3.670 1.00 1.33 H new ATOM 511 N GLU A 33 20.790 -0.580 2.572 1.00 0.32 N ATOM 512 CA GLU A 33 19.622 -0.172 3.337 1.00 0.35 C ATOM 513 C GLU A 33 18.423 -1.049 3.009 1.00 0.30 C ATOM 514 O GLU A 33 17.666 -1.442 3.898 1.00 0.32 O ATOM 515 CB GLU A 33 19.285 1.278 3.032 1.00 0.45 C ATOM 516 CG GLU A 33 20.377 2.254 3.402 1.00 0.59 C ATOM 517 CD GLU A 33 19.923 3.680 3.224 1.00 1.50 C ATOM 518 OE1 GLU A 33 19.399 3.999 2.145 1.00 2.15 O ATOM 519 OE2 GLU A 33 20.085 4.478 4.166 1.00 2.32 O ATOM 0 H GLU A 33 21.107 0.111 1.892 1.00 0.32 H new ATOM 0 HA GLU A 33 19.855 -0.281 4.396 1.00 0.35 H new ATOM 0 HB2 GLU A 33 19.071 1.374 1.968 1.00 0.45 H new ATOM 0 HB3 GLU A 33 18.374 1.549 3.566 1.00 0.45 H new ATOM 0 HG2 GLU A 33 20.676 2.092 4.438 1.00 0.59 H new ATOM 0 HG3 GLU A 33 21.256 2.070 2.784 1.00 0.59 H new ATOM 526 N LEU A 34 18.263 -1.339 1.720 1.00 0.30 N ATOM 527 CA LEU A 34 17.195 -2.190 1.227 1.00 0.33 C ATOM 528 C LEU A 34 17.166 -3.499 1.998 1.00 0.29 C ATOM 529 O LEU A 34 16.145 -3.877 2.559 1.00 0.30 O ATOM 530 CB LEU A 34 17.415 -2.471 -0.265 1.00 0.50 C ATOM 531 CG LEU A 34 16.291 -3.225 -0.966 1.00 0.51 C ATOM 532 CD1 LEU A 34 15.057 -2.348 -1.057 1.00 1.01 C ATOM 533 CD2 LEU A 34 16.737 -3.684 -2.348 1.00 0.55 C ATOM 0 H LEU A 34 18.878 -0.985 0.987 1.00 0.30 H new ATOM 0 HA LEU A 34 16.241 -1.681 1.366 1.00 0.33 H new ATOM 0 HB2 LEU A 34 17.565 -1.521 -0.777 1.00 0.50 H new ATOM 0 HB3 LEU A 34 18.336 -3.042 -0.377 1.00 0.50 H new ATOM 0 HG LEU A 34 16.042 -4.112 -0.383 1.00 0.51 H new ATOM 0 HD11 LEU A 34 14.259 -2.894 -1.559 1.00 1.01 H new ATOM 0 HD12 LEU A 34 14.732 -2.072 -0.054 1.00 1.01 H new ATOM 0 HD13 LEU A 34 15.292 -1.447 -1.623 1.00 1.01 H new ATOM 0 HD21 LEU A 34 15.922 -4.220 -2.834 1.00 0.55 H new ATOM 0 HD22 LEU A 34 17.010 -2.817 -2.949 1.00 0.55 H new ATOM 0 HD23 LEU A 34 17.599 -4.344 -2.252 1.00 0.55 H new ATOM 545 N LYS A 35 18.311 -4.164 2.037 1.00 0.29 N ATOM 546 CA LYS A 35 18.447 -5.443 2.716 1.00 0.29 C ATOM 547 C LYS A 35 18.051 -5.350 4.171 1.00 0.29 C ATOM 548 O LYS A 35 17.298 -6.185 4.672 1.00 0.31 O ATOM 549 CB LYS A 35 19.883 -5.937 2.608 1.00 0.32 C ATOM 550 CG LYS A 35 20.250 -6.294 1.189 1.00 0.39 C ATOM 551 CD LYS A 35 21.751 -6.394 0.961 1.00 0.52 C ATOM 552 CE LYS A 35 22.307 -7.750 1.349 1.00 0.70 C ATOM 553 NZ LYS A 35 22.526 -7.880 2.814 1.00 1.29 N ATOM 0 H LYS A 35 19.171 -3.832 1.599 1.00 0.29 H new ATOM 0 HA LYS A 35 17.774 -6.149 2.229 1.00 0.29 H new ATOM 0 HB2 LYS A 35 20.561 -5.166 2.975 1.00 0.32 H new ATOM 0 HB3 LYS A 35 20.016 -6.809 3.248 1.00 0.32 H new ATOM 0 HG2 LYS A 35 19.786 -7.246 0.930 1.00 0.39 H new ATOM 0 HG3 LYS A 35 19.837 -5.544 0.515 1.00 0.39 H new ATOM 0 HD2 LYS A 35 21.969 -6.202 -0.090 1.00 0.52 H new ATOM 0 HD3 LYS A 35 22.256 -5.619 1.538 1.00 0.52 H new ATOM 0 HE2 LYS A 35 21.620 -8.529 1.018 1.00 0.70 H new ATOM 0 HE3 LYS A 35 23.250 -7.914 0.828 1.00 0.70 H new ATOM 0 HZ1 LYS A 35 23.296 -8.556 2.991 1.00 1.29 H new ATOM 0 HZ2 LYS A 35 22.781 -6.953 3.211 1.00 1.29 H new ATOM 0 HZ3 LYS A 35 21.654 -8.222 3.266 1.00 1.29 H new ATOM 567 N GLU A 36 18.552 -4.336 4.848 1.00 0.29 N ATOM 568 CA GLU A 36 18.305 -4.201 6.266 1.00 0.32 C ATOM 569 C GLU A 36 16.840 -3.930 6.527 1.00 0.31 C ATOM 570 O GLU A 36 16.237 -4.526 7.410 1.00 0.39 O ATOM 571 CB GLU A 36 19.153 -3.089 6.860 1.00 0.36 C ATOM 572 CG GLU A 36 20.624 -3.290 6.604 1.00 0.37 C ATOM 573 CD GLU A 36 21.474 -2.180 7.183 1.00 0.51 C ATOM 574 OE1 GLU A 36 21.817 -2.247 8.382 1.00 1.14 O ATOM 575 OE2 GLU A 36 21.800 -1.227 6.446 1.00 1.31 O ATOM 0 H GLU A 36 19.128 -3.599 4.441 1.00 0.29 H new ATOM 0 HA GLU A 36 18.580 -5.140 6.745 1.00 0.32 H new ATOM 0 HB2 GLU A 36 18.841 -2.133 6.439 1.00 0.36 H new ATOM 0 HB3 GLU A 36 18.978 -3.036 7.935 1.00 0.36 H new ATOM 0 HG2 GLU A 36 20.936 -4.242 7.032 1.00 0.37 H new ATOM 0 HG3 GLU A 36 20.797 -3.352 5.530 1.00 0.37 H new ATOM 582 N LEU A 37 16.272 -3.028 5.751 1.00 0.27 N ATOM 583 CA LEU A 37 14.866 -2.708 5.874 1.00 0.26 C ATOM 584 C LEU A 37 14.016 -3.939 5.572 1.00 0.27 C ATOM 585 O LEU A 37 13.098 -4.251 6.306 1.00 0.31 O ATOM 586 CB LEU A 37 14.516 -1.567 4.921 1.00 0.24 C ATOM 587 CG LEU A 37 13.225 -0.814 5.240 1.00 0.31 C ATOM 588 CD1 LEU A 37 13.218 0.526 4.534 1.00 0.29 C ATOM 589 CD2 LEU A 37 12.024 -1.624 4.807 1.00 0.50 C ATOM 0 H LEU A 37 16.765 -2.504 5.028 1.00 0.27 H new ATOM 0 HA LEU A 37 14.657 -2.392 6.896 1.00 0.26 H new ATOM 0 HB2 LEU A 37 15.340 -0.854 4.918 1.00 0.24 H new ATOM 0 HB3 LEU A 37 14.440 -1.971 3.911 1.00 0.24 H new ATOM 0 HG LEU A 37 13.174 -0.653 6.317 1.00 0.31 H new ATOM 0 HD11 LEU A 37 12.294 1.055 4.767 1.00 0.29 H new ATOM 0 HD12 LEU A 37 14.070 1.118 4.869 1.00 0.29 H new ATOM 0 HD13 LEU A 37 13.285 0.370 3.457 1.00 0.29 H new ATOM 0 HD21 LEU A 37 11.112 -1.075 5.041 1.00 0.50 H new ATOM 0 HD22 LEU A 37 12.074 -1.804 3.733 1.00 0.50 H new ATOM 0 HD23 LEU A 37 12.019 -2.578 5.335 1.00 0.50 H new ATOM 601 N LEU A 38 14.326 -4.633 4.493 1.00 0.27 N ATOM 602 CA LEU A 38 13.609 -5.852 4.145 1.00 0.29 C ATOM 603 C LEU A 38 13.648 -6.861 5.288 1.00 0.31 C ATOM 604 O LEU A 38 12.622 -7.311 5.769 1.00 0.40 O ATOM 605 CB LEU A 38 14.222 -6.489 2.905 1.00 0.32 C ATOM 606 CG LEU A 38 13.476 -6.267 1.590 1.00 0.34 C ATOM 607 CD1 LEU A 38 12.002 -6.592 1.752 1.00 0.31 C ATOM 608 CD2 LEU A 38 13.671 -4.850 1.092 1.00 0.43 C ATOM 0 H LEU A 38 15.068 -4.377 3.841 1.00 0.27 H new ATOM 0 HA LEU A 38 12.572 -5.578 3.949 1.00 0.29 H new ATOM 0 HB2 LEU A 38 15.237 -6.108 2.791 1.00 0.32 H new ATOM 0 HB3 LEU A 38 14.302 -7.563 3.076 1.00 0.32 H new ATOM 0 HG LEU A 38 13.891 -6.942 0.842 1.00 0.34 H new ATOM 0 HD11 LEU A 38 11.487 -6.428 0.805 1.00 0.31 H new ATOM 0 HD12 LEU A 38 11.890 -7.634 2.050 1.00 0.31 H new ATOM 0 HD13 LEU A 38 11.569 -5.947 2.517 1.00 0.31 H new ATOM 0 HD21 LEU A 38 13.131 -4.716 0.155 1.00 0.43 H new ATOM 0 HD22 LEU A 38 13.290 -4.148 1.834 1.00 0.43 H new ATOM 0 HD23 LEU A 38 14.733 -4.665 0.928 1.00 0.43 H new ATOM 620 N THR A 39 14.844 -7.215 5.704 1.00 0.32 N ATOM 621 CA THR A 39 15.035 -8.187 6.772 1.00 0.33 C ATOM 622 C THR A 39 14.383 -7.764 8.095 1.00 0.34 C ATOM 623 O THR A 39 13.774 -8.578 8.792 1.00 0.38 O ATOM 624 CB THR A 39 16.533 -8.418 7.012 1.00 0.33 C ATOM 625 OG1 THR A 39 17.189 -7.172 7.274 1.00 0.32 O ATOM 626 CG2 THR A 39 17.179 -9.065 5.800 1.00 0.35 C ATOM 0 H THR A 39 15.711 -6.843 5.317 1.00 0.32 H new ATOM 0 HA THR A 39 14.548 -9.105 6.441 1.00 0.33 H new ATOM 0 HB THR A 39 16.636 -9.080 7.872 1.00 0.33 H new ATOM 0 HG1 THR A 39 17.310 -6.683 6.433 1.00 0.32 H new ATOM 0 HG21 THR A 39 18.241 -9.219 5.993 1.00 0.35 H new ATOM 0 HG22 THR A 39 16.703 -10.025 5.603 1.00 0.35 H new ATOM 0 HG23 THR A 39 17.058 -8.415 4.933 1.00 0.35 H new ATOM 634 N ARG A 40 14.528 -6.496 8.433 1.00 0.34 N ATOM 635 CA ARG A 40 14.105 -5.976 9.729 1.00 0.37 C ATOM 636 C ARG A 40 12.666 -5.490 9.725 1.00 0.40 C ATOM 637 O ARG A 40 11.915 -5.755 10.665 1.00 0.47 O ATOM 638 CB ARG A 40 15.069 -4.864 10.137 1.00 0.37 C ATOM 639 CG ARG A 40 16.381 -5.411 10.667 1.00 0.63 C ATOM 640 CD ARG A 40 17.467 -4.358 10.678 1.00 0.56 C ATOM 641 NE ARG A 40 18.793 -4.948 10.838 1.00 1.16 N ATOM 642 CZ ARG A 40 19.921 -4.343 10.476 1.00 1.51 C ATOM 643 NH1 ARG A 40 19.895 -3.088 10.049 1.00 1.62 N ATOM 644 NH2 ARG A 40 21.078 -4.984 10.561 1.00 2.31 N ATOM 0 H ARG A 40 14.942 -5.794 7.820 1.00 0.34 H new ATOM 0 HA ARG A 40 14.136 -6.785 10.459 1.00 0.37 H new ATOM 0 HB2 ARG A 40 15.265 -4.222 9.278 1.00 0.37 H new ATOM 0 HB3 ARG A 40 14.602 -4.242 10.900 1.00 0.37 H new ATOM 0 HG2 ARG A 40 16.234 -5.792 11.678 1.00 0.63 H new ATOM 0 HG3 ARG A 40 16.698 -6.253 10.052 1.00 0.63 H new ATOM 0 HD2 ARG A 40 17.432 -3.790 9.748 1.00 0.56 H new ATOM 0 HD3 ARG A 40 17.282 -3.654 11.489 1.00 0.56 H new ATOM 0 HE ARG A 40 18.858 -5.878 11.251 1.00 1.16 H new ATOM 0 HH11 ARG A 40 19.009 -2.585 9.998 1.00 1.62 H new ATOM 0 HH12 ARG A 40 20.761 -2.626 9.772 1.00 1.62 H new ATOM 0 HH21 ARG A 40 21.105 -5.944 10.905 1.00 2.31 H new ATOM 0 HH22 ARG A 40 21.941 -4.517 10.283 1.00 2.31 H new ATOM 658 N GLU A 41 12.279 -4.809 8.672 1.00 0.40 N ATOM 659 CA GLU A 41 10.966 -4.212 8.587 1.00 0.46 C ATOM 660 C GLU A 41 10.032 -5.091 7.750 1.00 0.54 C ATOM 661 O GLU A 41 8.843 -4.830 7.638 1.00 0.85 O ATOM 662 CB GLU A 41 11.087 -2.821 7.971 1.00 0.52 C ATOM 663 CG GLU A 41 12.171 -1.946 8.601 1.00 0.53 C ATOM 664 CD GLU A 41 12.012 -1.743 10.100 1.00 0.51 C ATOM 665 OE1 GLU A 41 12.529 -2.570 10.877 1.00 1.30 O ATOM 666 OE2 GLU A 41 11.399 -0.736 10.512 1.00 1.02 O ATOM 0 H GLU A 41 12.864 -4.653 7.851 1.00 0.40 H new ATOM 0 HA GLU A 41 10.542 -4.127 9.587 1.00 0.46 H new ATOM 0 HB2 GLU A 41 11.294 -2.925 6.906 1.00 0.52 H new ATOM 0 HB3 GLU A 41 10.128 -2.312 8.061 1.00 0.52 H new ATOM 0 HG2 GLU A 41 13.144 -2.397 8.407 1.00 0.53 H new ATOM 0 HG3 GLU A 41 12.167 -0.972 8.111 1.00 0.53 H new ATOM 673 N LEU A 42 10.562 -6.130 7.149 1.00 0.40 N ATOM 674 CA LEU A 42 9.717 -7.104 6.477 1.00 0.41 C ATOM 675 C LEU A 42 10.130 -8.547 6.799 1.00 0.37 C ATOM 676 O LEU A 42 10.336 -9.362 5.893 1.00 0.36 O ATOM 677 CB LEU A 42 9.725 -6.821 4.974 1.00 0.44 C ATOM 678 CG LEU A 42 8.809 -5.668 4.573 1.00 0.50 C ATOM 679 CD1 LEU A 42 9.269 -4.997 3.303 1.00 0.65 C ATOM 680 CD2 LEU A 42 7.409 -6.180 4.384 1.00 0.74 C ATOM 0 H LEU A 42 11.562 -6.327 7.108 1.00 0.40 H new ATOM 0 HA LEU A 42 8.697 -7.002 6.848 1.00 0.41 H new ATOM 0 HB2 LEU A 42 10.743 -6.593 4.659 1.00 0.44 H new ATOM 0 HB3 LEU A 42 9.420 -7.721 4.440 1.00 0.44 H new ATOM 0 HG LEU A 42 8.839 -4.929 5.373 1.00 0.50 H new ATOM 0 HD11 LEU A 42 8.588 -4.183 3.055 1.00 0.65 H new ATOM 0 HD12 LEU A 42 10.274 -4.600 3.445 1.00 0.65 H new ATOM 0 HD13 LEU A 42 9.277 -5.723 2.490 1.00 0.65 H new ATOM 0 HD21 LEU A 42 6.756 -5.356 4.098 1.00 0.74 H new ATOM 0 HD22 LEU A 42 7.401 -6.938 3.601 1.00 0.74 H new ATOM 0 HD23 LEU A 42 7.053 -6.618 5.316 1.00 0.74 H new ATOM 692 N PRO A 43 10.227 -8.887 8.110 1.00 0.40 N ATOM 693 CA PRO A 43 10.622 -10.224 8.573 1.00 0.44 C ATOM 694 C PRO A 43 9.794 -11.345 7.987 1.00 0.45 C ATOM 695 O PRO A 43 10.289 -12.438 7.761 1.00 0.49 O ATOM 696 CB PRO A 43 10.361 -10.177 10.069 1.00 0.51 C ATOM 697 CG PRO A 43 10.500 -8.750 10.435 1.00 0.48 C ATOM 698 CD PRO A 43 9.997 -7.976 9.253 1.00 0.44 C ATOM 0 HA PRO A 43 11.651 -10.432 8.280 1.00 0.44 H new ATOM 0 HB2 PRO A 43 9.366 -10.551 10.308 1.00 0.51 H new ATOM 0 HB3 PRO A 43 11.074 -10.796 10.614 1.00 0.51 H new ATOM 0 HG2 PRO A 43 9.922 -8.517 11.330 1.00 0.48 H new ATOM 0 HG3 PRO A 43 11.539 -8.501 10.653 1.00 0.48 H new ATOM 0 HD2 PRO A 43 8.941 -7.726 9.359 1.00 0.44 H new ATOM 0 HD3 PRO A 43 10.537 -7.037 9.131 1.00 0.44 H new ATOM 706 N SER A 44 8.521 -11.091 7.797 1.00 0.45 N ATOM 707 CA SER A 44 7.637 -12.086 7.237 1.00 0.47 C ATOM 708 C SER A 44 7.940 -12.275 5.758 1.00 0.44 C ATOM 709 O SER A 44 8.267 -13.387 5.308 1.00 0.45 O ATOM 710 CB SER A 44 6.194 -11.654 7.447 1.00 0.51 C ATOM 711 OG SER A 44 5.282 -12.536 6.824 1.00 0.59 O ATOM 0 H SER A 44 8.073 -10.203 8.022 1.00 0.45 H new ATOM 0 HA SER A 44 7.792 -13.041 7.739 1.00 0.47 H new ATOM 0 HB2 SER A 44 5.981 -11.607 8.515 1.00 0.51 H new ATOM 0 HB3 SER A 44 6.055 -10.648 7.050 1.00 0.51 H new ATOM 0 HG SER A 44 4.366 -12.226 6.983 1.00 0.59 H new ATOM 717 N PHE A 45 7.901 -11.157 5.034 1.00 0.42 N ATOM 718 CA PHE A 45 8.031 -11.162 3.585 1.00 0.41 C ATOM 719 C PHE A 45 9.269 -11.923 3.156 1.00 0.42 C ATOM 720 O PHE A 45 9.190 -12.909 2.421 1.00 0.46 O ATOM 721 CB PHE A 45 8.097 -9.741 3.033 1.00 0.45 C ATOM 722 CG PHE A 45 7.949 -9.719 1.536 1.00 1.06 C ATOM 723 CD1 PHE A 45 6.694 -9.776 0.954 1.00 1.81 C ATOM 724 CD2 PHE A 45 9.063 -9.680 0.714 1.00 1.83 C ATOM 725 CE1 PHE A 45 6.550 -9.788 -0.420 1.00 2.38 C ATOM 726 CE2 PHE A 45 8.927 -9.698 -0.661 1.00 2.38 C ATOM 727 CZ PHE A 45 7.669 -9.751 -1.228 1.00 2.41 C ATOM 0 H PHE A 45 7.779 -10.228 5.437 1.00 0.42 H new ATOM 0 HA PHE A 45 7.147 -11.658 3.183 1.00 0.41 H new ATOM 0 HB2 PHE A 45 7.310 -9.138 3.486 1.00 0.45 H new ATOM 0 HB3 PHE A 45 9.047 -9.286 3.312 1.00 0.45 H new ATOM 0 HD1 PHE A 45 5.816 -9.812 1.582 1.00 1.81 H new ATOM 0 HD2 PHE A 45 10.049 -9.635 1.153 1.00 1.83 H new ATOM 0 HE1 PHE A 45 5.565 -9.826 -0.861 1.00 2.38 H new ATOM 0 HE2 PHE A 45 9.803 -9.671 -1.291 1.00 2.38 H new ATOM 0 HZ PHE A 45 7.560 -9.763 -2.302 1.00 2.41 H new ATOM 737 N LEU A 46 10.414 -11.463 3.616 1.00 0.45 N ATOM 738 CA LEU A 46 11.664 -12.098 3.243 1.00 0.57 C ATOM 739 C LEU A 46 12.085 -13.156 4.242 1.00 0.65 C ATOM 740 O LEU A 46 13.083 -13.837 4.039 1.00 0.66 O ATOM 741 CB LEU A 46 12.777 -11.090 3.057 1.00 0.67 C ATOM 742 CG LEU A 46 12.711 -10.264 1.778 1.00 0.57 C ATOM 743 CD1 LEU A 46 14.067 -9.668 1.523 1.00 0.71 C ATOM 744 CD2 LEU A 46 12.269 -11.105 0.586 1.00 0.55 C ATOM 0 H LEU A 46 10.507 -10.662 4.241 1.00 0.45 H new ATOM 0 HA LEU A 46 11.481 -12.587 2.286 1.00 0.57 H new ATOM 0 HB2 LEU A 46 12.772 -10.409 3.908 1.00 0.67 H new ATOM 0 HB3 LEU A 46 13.730 -11.620 3.077 1.00 0.67 H new ATOM 0 HG LEU A 46 11.969 -9.475 1.905 1.00 0.57 H new ATOM 0 HD11 LEU A 46 14.037 -9.073 0.610 1.00 0.71 H new ATOM 0 HD12 LEU A 46 14.348 -9.031 2.362 1.00 0.71 H new ATOM 0 HD13 LEU A 46 14.800 -10.467 1.412 1.00 0.71 H new ATOM 0 HD21 LEU A 46 12.234 -10.481 -0.307 1.00 0.55 H new ATOM 0 HD22 LEU A 46 12.978 -11.919 0.432 1.00 0.55 H new ATOM 0 HD23 LEU A 46 11.279 -11.518 0.779 1.00 0.55 H new ATOM 756 N GLY A 47 11.336 -13.301 5.320 1.00 0.74 N ATOM 757 CA GLY A 47 11.596 -14.391 6.236 1.00 0.90 C ATOM 758 C GLY A 47 11.445 -15.706 5.525 1.00 0.89 C ATOM 759 O GLY A 47 12.081 -16.701 5.873 1.00 0.99 O ATOM 0 H GLY A 47 10.560 -12.691 5.577 1.00 0.74 H new ATOM 0 HA2 GLY A 47 12.603 -14.302 6.644 1.00 0.90 H new ATOM 0 HA3 GLY A 47 10.906 -14.342 7.078 1.00 0.90 H new ATOM 763 N LYS A 48 10.594 -15.694 4.512 1.00 0.79 N ATOM 764 CA LYS A 48 10.453 -16.834 3.623 1.00 0.82 C ATOM 765 C LYS A 48 11.666 -17.007 2.712 1.00 0.78 C ATOM 766 O LYS A 48 12.022 -18.129 2.355 1.00 0.87 O ATOM 767 CB LYS A 48 9.225 -16.672 2.740 1.00 0.82 C ATOM 768 CG LYS A 48 7.942 -17.314 3.272 1.00 1.08 C ATOM 769 CD LYS A 48 7.271 -16.485 4.367 1.00 1.51 C ATOM 770 CE LYS A 48 7.918 -16.683 5.730 1.00 2.27 C ATOM 771 NZ LYS A 48 7.768 -18.076 6.228 1.00 3.17 N ATOM 0 H LYS A 48 9.989 -14.905 4.285 1.00 0.79 H new ATOM 0 HA LYS A 48 10.358 -17.713 4.261 1.00 0.82 H new ATOM 0 HB2 LYS A 48 9.043 -15.607 2.592 1.00 0.82 H new ATOM 0 HB3 LYS A 48 9.444 -17.097 1.761 1.00 0.82 H new ATOM 0 HG2 LYS A 48 7.242 -17.452 2.448 1.00 1.08 H new ATOM 0 HG3 LYS A 48 8.173 -18.305 3.664 1.00 1.08 H new ATOM 0 HD2 LYS A 48 7.316 -15.430 4.098 1.00 1.51 H new ATOM 0 HD3 LYS A 48 6.217 -16.754 4.427 1.00 1.51 H new ATOM 0 HE2 LYS A 48 8.977 -16.434 5.667 1.00 2.27 H new ATOM 0 HE3 LYS A 48 7.471 -15.993 6.446 1.00 2.27 H new ATOM 0 HZ1 LYS A 48 7.906 -18.093 7.259 1.00 3.17 H new ATOM 0 HZ2 LYS A 48 6.815 -18.425 6.000 1.00 3.17 H new ATOM 0 HZ3 LYS A 48 8.478 -18.685 5.774 1.00 3.17 H new ATOM 785 N ARG A 49 12.301 -15.903 2.341 1.00 0.73 N ATOM 786 CA ARG A 49 13.305 -15.932 1.290 1.00 0.81 C ATOM 787 C ARG A 49 14.225 -14.721 1.375 1.00 0.74 C ATOM 788 O ARG A 49 13.881 -13.630 0.935 1.00 1.00 O ATOM 789 CB ARG A 49 12.597 -16.007 -0.073 1.00 0.95 C ATOM 790 CG ARG A 49 13.516 -16.110 -1.286 1.00 1.17 C ATOM 791 CD ARG A 49 13.900 -14.744 -1.836 1.00 1.02 C ATOM 792 NE ARG A 49 12.742 -13.853 -1.945 1.00 1.61 N ATOM 793 CZ ARG A 49 12.422 -13.160 -3.038 1.00 1.87 C ATOM 794 NH1 ARG A 49 13.152 -13.267 -4.140 1.00 2.14 N ATOM 795 NH2 ARG A 49 11.361 -12.363 -3.024 1.00 2.50 N ATOM 0 H ARG A 49 12.139 -14.983 2.750 1.00 0.73 H new ATOM 0 HA ARG A 49 13.934 -16.813 1.414 1.00 0.81 H new ATOM 0 HB2 ARG A 49 11.931 -16.870 -0.070 1.00 0.95 H new ATOM 0 HB3 ARG A 49 11.972 -15.122 -0.187 1.00 0.95 H new ATOM 0 HG2 ARG A 49 14.419 -16.655 -1.010 1.00 1.17 H new ATOM 0 HG3 ARG A 49 13.021 -16.688 -2.067 1.00 1.17 H new ATOM 0 HD2 ARG A 49 14.648 -14.289 -1.187 1.00 1.02 H new ATOM 0 HD3 ARG A 49 14.359 -14.864 -2.817 1.00 1.02 H new ATOM 0 HE ARG A 49 12.139 -13.756 -1.128 1.00 1.61 H new ATOM 0 HH11 ARG A 49 13.965 -13.883 -4.155 1.00 2.14 H new ATOM 0 HH12 ARG A 49 12.901 -12.733 -4.972 1.00 2.14 H new ATOM 0 HH21 ARG A 49 10.795 -12.283 -2.180 1.00 2.50 H new ATOM 0 HH22 ARG A 49 11.112 -11.831 -3.858 1.00 2.50 H new ATOM 809 N THR A 50 15.385 -14.919 1.968 1.00 0.76 N ATOM 810 CA THR A 50 16.413 -13.882 2.001 1.00 0.73 C ATOM 811 C THR A 50 17.680 -14.332 1.286 1.00 0.82 C ATOM 812 O THR A 50 18.153 -15.452 1.489 1.00 1.33 O ATOM 813 CB THR A 50 16.785 -13.460 3.435 1.00 0.74 C ATOM 814 OG1 THR A 50 16.881 -14.609 4.288 1.00 0.84 O ATOM 815 CG2 THR A 50 15.772 -12.486 4.000 1.00 0.63 C ATOM 0 H THR A 50 15.646 -15.787 2.436 1.00 0.76 H new ATOM 0 HA THR A 50 15.980 -13.024 1.487 1.00 0.73 H new ATOM 0 HB THR A 50 17.754 -12.963 3.393 1.00 0.74 H new ATOM 0 HG1 THR A 50 17.120 -14.324 5.195 1.00 0.84 H new ATOM 0 HG21 THR A 50 16.062 -12.207 5.013 1.00 0.63 H new ATOM 0 HG22 THR A 50 15.736 -11.594 3.374 1.00 0.63 H new ATOM 0 HG23 THR A 50 14.788 -12.955 4.020 1.00 0.63 H new ATOM 823 N ASP A 51 18.219 -13.457 0.448 1.00 0.57 N ATOM 824 CA ASP A 51 19.481 -13.711 -0.236 1.00 0.62 C ATOM 825 C ASP A 51 19.925 -12.454 -0.964 1.00 0.58 C ATOM 826 O ASP A 51 19.078 -11.690 -1.421 1.00 0.55 O ATOM 827 CB ASP A 51 19.344 -14.860 -1.238 1.00 0.69 C ATOM 828 CG ASP A 51 20.681 -15.290 -1.802 1.00 1.26 C ATOM 829 OD1 ASP A 51 21.116 -14.723 -2.823 1.00 1.78 O ATOM 830 OD2 ASP A 51 21.309 -16.194 -1.218 1.00 2.01 O ATOM 0 H ASP A 51 17.797 -12.556 0.224 1.00 0.57 H new ATOM 0 HA ASP A 51 20.225 -13.993 0.510 1.00 0.62 H new ATOM 0 HB2 ASP A 51 18.867 -15.710 -0.750 1.00 0.69 H new ATOM 0 HB3 ASP A 51 18.690 -14.552 -2.054 1.00 0.69 H new ATOM 835 N GLU A 52 21.230 -12.230 -1.068 1.00 0.67 N ATOM 836 CA GLU A 52 21.745 -11.041 -1.749 1.00 0.71 C ATOM 837 C GLU A 52 21.196 -10.948 -3.168 1.00 0.67 C ATOM 838 O GLU A 52 20.788 -9.876 -3.622 1.00 0.63 O ATOM 839 CB GLU A 52 23.270 -11.055 -1.785 1.00 0.87 C ATOM 840 CG GLU A 52 23.903 -11.125 -0.409 1.00 0.95 C ATOM 841 CD GLU A 52 25.407 -10.986 -0.460 1.00 1.31 C ATOM 842 OE1 GLU A 52 26.093 -12.001 -0.704 1.00 1.81 O ATOM 843 OE2 GLU A 52 25.909 -9.858 -0.274 1.00 1.91 O ATOM 0 H GLU A 52 21.949 -12.849 -0.693 1.00 0.67 H new ATOM 0 HA GLU A 52 21.415 -10.167 -1.187 1.00 0.71 H new ATOM 0 HB2 GLU A 52 23.605 -11.908 -2.375 1.00 0.87 H new ATOM 0 HB3 GLU A 52 23.623 -10.158 -2.294 1.00 0.87 H new ATOM 0 HG2 GLU A 52 23.489 -10.336 0.219 1.00 0.95 H new ATOM 0 HG3 GLU A 52 23.644 -12.075 0.059 1.00 0.95 H new ATOM 850 N ALA A 53 21.157 -12.085 -3.849 1.00 0.71 N ATOM 851 CA ALA A 53 20.637 -12.145 -5.207 1.00 0.76 C ATOM 852 C ALA A 53 19.138 -11.865 -5.220 1.00 0.66 C ATOM 853 O ALA A 53 18.617 -11.261 -6.156 1.00 0.69 O ATOM 854 CB ALA A 53 20.933 -13.499 -5.828 1.00 0.91 C ATOM 0 H ALA A 53 21.480 -12.980 -3.482 1.00 0.71 H new ATOM 0 HA ALA A 53 21.133 -11.377 -5.801 1.00 0.76 H new ATOM 0 HB1 ALA A 53 20.538 -13.528 -6.843 1.00 0.91 H new ATOM 0 HB2 ALA A 53 22.011 -13.660 -5.853 1.00 0.91 H new ATOM 0 HB3 ALA A 53 20.463 -14.283 -5.233 1.00 0.91 H new ATOM 860 N ALA A 54 18.455 -12.295 -4.166 1.00 0.60 N ATOM 861 CA ALA A 54 17.029 -12.051 -4.022 1.00 0.59 C ATOM 862 C ALA A 54 16.762 -10.562 -3.871 1.00 0.48 C ATOM 863 O ALA A 54 15.821 -10.033 -4.454 1.00 0.46 O ATOM 864 CB ALA A 54 16.480 -12.811 -2.828 1.00 0.64 C ATOM 0 H ALA A 54 18.871 -12.818 -3.395 1.00 0.60 H new ATOM 0 HA ALA A 54 16.523 -12.406 -4.920 1.00 0.59 H new ATOM 0 HB1 ALA A 54 15.411 -12.618 -2.734 1.00 0.64 H new ATOM 0 HB2 ALA A 54 16.645 -13.879 -2.970 1.00 0.64 H new ATOM 0 HB3 ALA A 54 16.989 -12.482 -1.922 1.00 0.64 H new ATOM 870 N PHE A 55 17.599 -9.897 -3.083 1.00 0.46 N ATOM 871 CA PHE A 55 17.539 -8.445 -2.938 1.00 0.42 C ATOM 872 C PHE A 55 17.816 -7.759 -4.262 1.00 0.44 C ATOM 873 O PHE A 55 17.173 -6.777 -4.611 1.00 0.45 O ATOM 874 CB PHE A 55 18.562 -7.966 -1.920 1.00 0.44 C ATOM 875 CG PHE A 55 18.226 -8.332 -0.504 1.00 1.06 C ATOM 876 CD1 PHE A 55 17.176 -7.722 0.154 1.00 1.87 C ATOM 877 CD2 PHE A 55 18.964 -9.291 0.167 1.00 1.98 C ATOM 878 CE1 PHE A 55 16.871 -8.065 1.455 1.00 2.70 C ATOM 879 CE2 PHE A 55 18.663 -9.637 1.467 1.00 2.77 C ATOM 880 CZ PHE A 55 17.614 -9.023 2.113 1.00 2.95 C ATOM 0 H PHE A 55 18.332 -10.343 -2.531 1.00 0.46 H new ATOM 0 HA PHE A 55 16.535 -8.191 -2.599 1.00 0.42 H new ATOM 0 HB2 PHE A 55 19.536 -8.386 -2.172 1.00 0.44 H new ATOM 0 HB3 PHE A 55 18.653 -6.882 -1.993 1.00 0.44 H new ATOM 0 HD1 PHE A 55 16.589 -6.971 -0.354 1.00 1.87 H new ATOM 0 HD2 PHE A 55 19.788 -9.776 -0.335 1.00 1.98 H new ATOM 0 HE1 PHE A 55 16.048 -7.582 1.960 1.00 2.70 H new ATOM 0 HE2 PHE A 55 19.248 -10.388 1.977 1.00 2.77 H new ATOM 0 HZ PHE A 55 17.374 -9.290 3.131 1.00 2.95 H new ATOM 890 N GLN A 56 18.803 -8.275 -4.973 1.00 0.49 N ATOM 891 CA GLN A 56 19.156 -7.783 -6.296 1.00 0.54 C ATOM 892 C GLN A 56 17.947 -7.851 -7.236 1.00 0.53 C ATOM 893 O GLN A 56 17.677 -6.908 -7.984 1.00 0.57 O ATOM 894 CB GLN A 56 20.322 -8.619 -6.826 1.00 0.62 C ATOM 895 CG GLN A 56 20.721 -8.326 -8.256 1.00 0.76 C ATOM 896 CD GLN A 56 21.135 -6.888 -8.484 1.00 0.98 C ATOM 897 OE1 GLN A 56 22.295 -6.526 -8.303 1.00 1.69 O ATOM 898 NE2 GLN A 56 20.188 -6.067 -8.897 1.00 0.87 N ATOM 0 H GLN A 56 19.384 -9.048 -4.650 1.00 0.49 H new ATOM 0 HA GLN A 56 19.459 -6.737 -6.239 1.00 0.54 H new ATOM 0 HB2 GLN A 56 21.187 -8.457 -6.183 1.00 0.62 H new ATOM 0 HB3 GLN A 56 20.059 -9.674 -6.747 1.00 0.62 H new ATOM 0 HG2 GLN A 56 21.545 -8.982 -8.537 1.00 0.76 H new ATOM 0 HG3 GLN A 56 19.885 -8.564 -8.914 1.00 0.76 H new ATOM 0 HE21 GLN A 56 19.238 -6.412 -9.034 1.00 0.87 H new ATOM 0 HE22 GLN A 56 20.406 -5.087 -9.080 1.00 0.87 H new ATOM 907 N LYS A 57 17.215 -8.956 -7.178 1.00 0.51 N ATOM 908 CA LYS A 57 15.999 -9.102 -7.967 1.00 0.52 C ATOM 909 C LYS A 57 14.895 -8.193 -7.438 1.00 0.48 C ATOM 910 O LYS A 57 14.190 -7.553 -8.212 1.00 0.48 O ATOM 911 CB LYS A 57 15.520 -10.557 -7.972 1.00 0.55 C ATOM 912 CG LYS A 57 15.764 -11.273 -9.293 1.00 0.76 C ATOM 913 CD LYS A 57 17.244 -11.500 -9.560 1.00 1.01 C ATOM 914 CE LYS A 57 17.798 -12.637 -8.715 1.00 0.87 C ATOM 915 NZ LYS A 57 19.206 -12.957 -9.066 1.00 1.60 N ATOM 0 H LYS A 57 17.441 -9.762 -6.595 1.00 0.51 H new ATOM 0 HA LYS A 57 16.233 -8.809 -8.991 1.00 0.52 H new ATOM 0 HB2 LYS A 57 16.027 -11.101 -7.174 1.00 0.55 H new ATOM 0 HB3 LYS A 57 14.454 -10.581 -7.747 1.00 0.55 H new ATOM 0 HG2 LYS A 57 15.247 -12.233 -9.285 1.00 0.76 H new ATOM 0 HG3 LYS A 57 15.336 -10.687 -10.106 1.00 0.76 H new ATOM 0 HD2 LYS A 57 17.393 -11.725 -10.616 1.00 1.01 H new ATOM 0 HD3 LYS A 57 17.797 -10.585 -9.347 1.00 1.01 H new ATOM 0 HE2 LYS A 57 17.740 -12.367 -7.661 1.00 0.87 H new ATOM 0 HE3 LYS A 57 17.180 -13.524 -8.851 1.00 0.87 H new ATOM 0 HZ1 LYS A 57 19.452 -13.895 -8.691 1.00 1.60 H new ATOM 0 HZ2 LYS A 57 19.314 -12.958 -10.100 1.00 1.60 H new ATOM 0 HZ3 LYS A 57 19.838 -12.242 -8.652 1.00 1.60 H new ATOM 929 N LEU A 58 14.763 -8.129 -6.116 1.00 0.46 N ATOM 930 CA LEU A 58 13.736 -7.315 -5.481 1.00 0.43 C ATOM 931 C LEU A 58 13.920 -5.850 -5.841 1.00 0.43 C ATOM 932 O LEU A 58 12.950 -5.136 -6.082 1.00 0.42 O ATOM 933 CB LEU A 58 13.783 -7.487 -3.965 1.00 0.43 C ATOM 934 CG LEU A 58 12.563 -6.955 -3.222 1.00 0.39 C ATOM 935 CD1 LEU A 58 11.301 -7.646 -3.712 1.00 0.40 C ATOM 936 CD2 LEU A 58 12.733 -7.151 -1.730 1.00 0.41 C ATOM 0 H LEU A 58 15.360 -8.635 -5.462 1.00 0.46 H new ATOM 0 HA LEU A 58 12.763 -7.647 -5.844 1.00 0.43 H new ATOM 0 HB2 LEU A 58 13.896 -8.547 -3.737 1.00 0.43 H new ATOM 0 HB3 LEU A 58 14.671 -6.983 -3.584 1.00 0.43 H new ATOM 0 HG LEU A 58 12.469 -5.888 -3.423 1.00 0.39 H new ATOM 0 HD11 LEU A 58 10.439 -7.255 -3.172 1.00 0.40 H new ATOM 0 HD12 LEU A 58 11.175 -7.460 -4.779 1.00 0.40 H new ATOM 0 HD13 LEU A 58 11.382 -8.719 -3.538 1.00 0.40 H new ATOM 0 HD21 LEU A 58 11.855 -6.767 -1.210 1.00 0.41 H new ATOM 0 HD22 LEU A 58 12.847 -8.213 -1.513 1.00 0.41 H new ATOM 0 HD23 LEU A 58 13.619 -6.614 -1.391 1.00 0.41 H new ATOM 948 N MET A 59 15.173 -5.416 -5.866 1.00 0.46 N ATOM 949 CA MET A 59 15.525 -4.088 -6.337 1.00 0.48 C ATOM 950 C MET A 59 14.901 -3.868 -7.690 1.00 0.48 C ATOM 951 O MET A 59 14.066 -2.999 -7.875 1.00 0.49 O ATOM 952 CB MET A 59 17.050 -3.961 -6.457 1.00 0.54 C ATOM 953 CG MET A 59 17.523 -2.622 -7.024 1.00 0.57 C ATOM 954 SD MET A 59 17.304 -2.416 -8.811 1.00 1.64 S ATOM 955 CE MET A 59 18.280 -3.762 -9.462 1.00 2.39 C ATOM 0 H MET A 59 15.970 -5.974 -5.561 1.00 0.46 H new ATOM 0 HA MET A 59 15.159 -3.344 -5.629 1.00 0.48 H new ATOM 0 HB2 MET A 59 17.494 -4.103 -5.472 1.00 0.54 H new ATOM 0 HB3 MET A 59 17.422 -4.764 -7.093 1.00 0.54 H new ATOM 0 HG2 MET A 59 16.987 -1.821 -6.514 1.00 0.57 H new ATOM 0 HG3 MET A 59 18.580 -2.499 -6.788 1.00 0.57 H new ATOM 0 HE1 MET A 59 18.410 -3.631 -10.536 1.00 2.39 H new ATOM 0 HE2 MET A 59 19.256 -3.771 -8.977 1.00 2.39 H new ATOM 0 HE3 MET A 59 17.771 -4.707 -9.270 1.00 2.39 H new ATOM 965 N SER A 60 15.306 -4.718 -8.606 1.00 0.50 N ATOM 966 CA SER A 60 14.844 -4.683 -9.984 1.00 0.53 C ATOM 967 C SER A 60 13.315 -4.717 -10.067 1.00 0.52 C ATOM 968 O SER A 60 12.726 -4.263 -11.045 1.00 0.56 O ATOM 969 CB SER A 60 15.443 -5.860 -10.759 1.00 0.56 C ATOM 970 OG SER A 60 15.119 -5.792 -12.136 1.00 1.35 O ATOM 0 H SER A 60 15.974 -5.465 -8.417 1.00 0.50 H new ATOM 0 HA SER A 60 15.177 -3.746 -10.430 1.00 0.53 H new ATOM 0 HB2 SER A 60 16.526 -5.863 -10.639 1.00 0.56 H new ATOM 0 HB3 SER A 60 15.073 -6.797 -10.343 1.00 0.56 H new ATOM 0 HG SER A 60 15.517 -6.556 -12.604 1.00 1.35 H new ATOM 976 N ASN A 61 12.677 -5.265 -9.044 1.00 0.49 N ATOM 977 CA ASN A 61 11.228 -5.346 -9.016 1.00 0.51 C ATOM 978 C ASN A 61 10.599 -4.018 -8.631 1.00 0.50 C ATOM 979 O ASN A 61 9.692 -3.527 -9.302 1.00 0.57 O ATOM 980 CB ASN A 61 10.757 -6.427 -8.034 1.00 0.49 C ATOM 981 CG ASN A 61 11.072 -7.831 -8.502 1.00 0.58 C ATOM 982 OD1 ASN A 61 11.117 -8.103 -9.703 1.00 0.80 O ATOM 983 ND2 ASN A 61 11.285 -8.742 -7.560 1.00 0.58 N ATOM 0 H ASN A 61 13.140 -5.659 -8.225 1.00 0.49 H new ATOM 0 HA ASN A 61 10.908 -5.606 -10.025 1.00 0.51 H new ATOM 0 HB2 ASN A 61 11.227 -6.259 -7.065 1.00 0.49 H new ATOM 0 HB3 ASN A 61 9.681 -6.332 -7.887 1.00 0.49 H new ATOM 0 HD21 ASN A 61 11.495 -9.706 -7.821 1.00 0.58 H new ATOM 0 HD22 ASN A 61 11.239 -8.478 -6.576 1.00 0.58 H new ATOM 990 N LEU A 62 11.088 -3.447 -7.550 1.00 0.44 N ATOM 991 CA LEU A 62 10.515 -2.233 -6.998 1.00 0.44 C ATOM 992 C LEU A 62 11.042 -1.030 -7.748 1.00 0.49 C ATOM 993 O LEU A 62 10.282 -0.184 -8.231 1.00 0.55 O ATOM 994 CB LEU A 62 10.894 -2.125 -5.524 1.00 0.38 C ATOM 995 CG LEU A 62 10.925 -3.460 -4.779 1.00 0.35 C ATOM 996 CD1 LEU A 62 11.317 -3.264 -3.325 1.00 0.31 C ATOM 997 CD2 LEU A 62 9.592 -4.180 -4.905 1.00 0.35 C ATOM 0 H LEU A 62 11.889 -3.807 -7.031 1.00 0.44 H new ATOM 0 HA LEU A 62 9.430 -2.266 -7.096 1.00 0.44 H new ATOM 0 HB2 LEU A 62 11.876 -1.657 -5.447 1.00 0.38 H new ATOM 0 HB3 LEU A 62 10.186 -1.462 -5.027 1.00 0.38 H new ATOM 0 HG LEU A 62 11.686 -4.089 -5.240 1.00 0.35 H new ATOM 0 HD11 LEU A 62 11.331 -4.229 -2.819 1.00 0.31 H new ATOM 0 HD12 LEU A 62 12.308 -2.812 -3.273 1.00 0.31 H new ATOM 0 HD13 LEU A 62 10.594 -2.610 -2.838 1.00 0.31 H new ATOM 0 HD21 LEU A 62 9.638 -5.127 -4.367 1.00 0.35 H new ATOM 0 HD22 LEU A 62 8.802 -3.560 -4.481 1.00 0.35 H new ATOM 0 HD23 LEU A 62 9.379 -4.370 -5.957 1.00 0.35 H new ATOM 1009 N ASP A 63 12.357 -0.996 -7.849 1.00 0.48 N ATOM 1010 CA ASP A 63 13.076 0.063 -8.517 1.00 0.54 C ATOM 1011 C ASP A 63 12.805 0.008 -10.010 1.00 0.57 C ATOM 1012 O ASP A 63 13.462 -0.721 -10.759 1.00 0.63 O ATOM 1013 CB ASP A 63 14.566 -0.094 -8.245 1.00 0.56 C ATOM 1014 CG ASP A 63 15.395 1.023 -8.838 1.00 0.67 C ATOM 1015 OD1 ASP A 63 14.817 1.934 -9.459 1.00 1.34 O ATOM 1016 OD2 ASP A 63 16.634 0.991 -8.690 1.00 1.24 O ATOM 0 H ASP A 63 12.963 -1.719 -7.461 1.00 0.48 H new ATOM 0 HA ASP A 63 12.742 1.029 -8.138 1.00 0.54 H new ATOM 0 HB2 ASP A 63 14.731 -0.130 -7.168 1.00 0.56 H new ATOM 0 HB3 ASP A 63 14.906 -1.047 -8.652 1.00 0.56 H new ATOM 1021 N SER A 64 11.834 0.785 -10.431 1.00 0.59 N ATOM 1022 CA SER A 64 11.413 0.803 -11.813 1.00 0.64 C ATOM 1023 C SER A 64 12.372 1.652 -12.636 1.00 0.66 C ATOM 1024 O SER A 64 12.403 1.573 -13.865 1.00 0.76 O ATOM 1025 CB SER A 64 9.990 1.346 -11.895 1.00 0.72 C ATOM 1026 OG SER A 64 9.159 0.693 -10.945 1.00 1.37 O ATOM 0 H SER A 64 11.314 1.421 -9.826 1.00 0.59 H new ATOM 0 HA SER A 64 11.426 -0.208 -12.219 1.00 0.64 H new ATOM 0 HB2 SER A 64 9.992 2.420 -11.710 1.00 0.72 H new ATOM 0 HB3 SER A 64 9.593 1.197 -12.899 1.00 0.72 H new ATOM 0 HG SER A 64 8.249 1.051 -11.006 1.00 1.37 H new ATOM 1032 N ASN A 65 13.163 2.455 -11.944 1.00 0.63 N ATOM 1033 CA ASN A 65 14.114 3.344 -12.592 1.00 0.72 C ATOM 1034 C ASN A 65 15.468 2.648 -12.773 1.00 0.69 C ATOM 1035 O ASN A 65 16.290 3.057 -13.596 1.00 0.77 O ATOM 1036 CB ASN A 65 14.237 4.634 -11.770 1.00 0.79 C ATOM 1037 CG ASN A 65 15.616 4.842 -11.184 1.00 1.01 C ATOM 1038 OD1 ASN A 65 16.431 5.589 -11.723 1.00 1.65 O ATOM 1039 ND2 ASN A 65 15.897 4.164 -10.092 1.00 1.16 N ATOM 0 H ASN A 65 13.165 2.510 -10.925 1.00 0.63 H new ATOM 0 HA ASN A 65 13.757 3.603 -13.589 1.00 0.72 H new ATOM 0 HB2 ASN A 65 13.987 5.485 -12.403 1.00 0.79 H new ATOM 0 HB3 ASN A 65 13.506 4.612 -10.962 1.00 0.79 H new ATOM 0 HD21 ASN A 65 16.818 4.248 -9.662 1.00 1.16 H new ATOM 0 HD22 ASN A 65 15.193 3.554 -9.675 1.00 1.16 H new ATOM 1046 N ARG A 66 15.657 1.570 -12.003 1.00 0.60 N ATOM 1047 CA ARG A 66 16.843 0.724 -12.059 1.00 0.60 C ATOM 1048 C ARG A 66 18.120 1.496 -11.744 1.00 0.61 C ATOM 1049 O ARG A 66 19.039 1.566 -12.560 1.00 0.69 O ATOM 1050 CB ARG A 66 16.961 0.069 -13.420 1.00 0.67 C ATOM 1051 CG ARG A 66 15.806 -0.848 -13.777 1.00 0.71 C ATOM 1052 CD ARG A 66 15.709 -2.061 -12.860 1.00 0.71 C ATOM 1053 NE ARG A 66 14.911 -3.116 -13.487 1.00 0.78 N ATOM 1054 CZ ARG A 66 13.584 -3.076 -13.625 1.00 1.20 C ATOM 1055 NH1 ARG A 66 12.876 -2.102 -13.066 1.00 2.24 N ATOM 1056 NH2 ARG A 66 12.959 -4.035 -14.297 1.00 1.15 N ATOM 0 H ARG A 66 14.974 1.260 -11.312 1.00 0.60 H new ATOM 0 HA ARG A 66 16.724 -0.043 -11.293 1.00 0.60 H new ATOM 0 HB2 ARG A 66 17.039 0.848 -14.179 1.00 0.67 H new ATOM 0 HB3 ARG A 66 17.888 -0.504 -13.455 1.00 0.67 H new ATOM 0 HG2 ARG A 66 14.873 -0.286 -13.728 1.00 0.71 H new ATOM 0 HG3 ARG A 66 15.921 -1.185 -14.807 1.00 0.71 H new ATOM 0 HD2 ARG A 66 16.708 -2.436 -12.637 1.00 0.71 H new ATOM 0 HD3 ARG A 66 15.258 -1.771 -11.911 1.00 0.71 H new ATOM 0 HE ARG A 66 15.402 -3.937 -13.842 1.00 0.78 H new ATOM 0 HH11 ARG A 66 13.346 -1.376 -12.525 1.00 2.24 H new ATOM 0 HH12 ARG A 66 11.862 -2.080 -13.177 1.00 2.24 H new ATOM 0 HH21 ARG A 66 13.493 -4.801 -14.707 1.00 1.15 H new ATOM 0 HH22 ARG A 66 11.945 -4.006 -14.403 1.00 1.15 H new ATOM 1070 N ASP A 67 18.183 2.042 -10.547 1.00 0.58 N ATOM 1071 CA ASP A 67 19.370 2.761 -10.095 1.00 0.62 C ATOM 1072 C ASP A 67 19.967 2.042 -8.896 1.00 0.56 C ATOM 1073 O ASP A 67 20.968 2.475 -8.327 1.00 0.57 O ATOM 1074 CB ASP A 67 19.024 4.206 -9.731 1.00 0.70 C ATOM 1075 CG ASP A 67 20.247 5.093 -9.611 1.00 1.07 C ATOM 1076 OD1 ASP A 67 21.093 5.074 -10.528 1.00 1.72 O ATOM 1077 OD2 ASP A 67 20.346 5.843 -8.619 1.00 1.64 O ATOM 0 H ASP A 67 17.427 2.005 -9.863 1.00 0.58 H new ATOM 0 HA ASP A 67 20.100 2.785 -10.904 1.00 0.62 H new ATOM 0 HB2 ASP A 67 18.357 4.616 -10.489 1.00 0.70 H new ATOM 0 HB3 ASP A 67 18.479 4.217 -8.787 1.00 0.70 H new ATOM 1082 N ASN A 68 19.314 0.943 -8.513 1.00 0.53 N ATOM 1083 CA ASN A 68 19.762 0.077 -7.422 1.00 0.51 C ATOM 1084 C ASN A 68 19.443 0.694 -6.076 1.00 0.47 C ATOM 1085 O ASN A 68 20.017 0.319 -5.051 1.00 0.48 O ATOM 1086 CB ASN A 68 21.255 -0.255 -7.536 1.00 0.58 C ATOM 1087 CG ASN A 68 21.525 -1.354 -8.544 1.00 0.73 C ATOM 1088 OD1 ASN A 68 22.562 -2.011 -8.502 1.00 1.08 O ATOM 1089 ND2 ASN A 68 20.570 -1.600 -9.423 1.00 0.66 N ATOM 0 H ASN A 68 18.451 0.627 -8.956 1.00 0.53 H new ATOM 0 HA ASN A 68 19.214 -0.862 -7.504 1.00 0.51 H new ATOM 0 HB2 ASN A 68 21.803 0.642 -7.824 1.00 0.58 H new ATOM 0 HB3 ASN A 68 21.633 -0.560 -6.560 1.00 0.58 H new ATOM 0 HD21 ASN A 68 20.680 -2.357 -10.097 1.00 0.66 H new ATOM 0 HD22 ASN A 68 19.722 -1.033 -9.427 1.00 0.66 H new ATOM 1096 N GLU A 69 18.515 1.638 -6.095 1.00 0.46 N ATOM 1097 CA GLU A 69 18.010 2.252 -4.884 1.00 0.42 C ATOM 1098 C GLU A 69 16.510 2.453 -5.025 1.00 0.41 C ATOM 1099 O GLU A 69 16.051 3.168 -5.914 1.00 0.44 O ATOM 1100 CB GLU A 69 18.681 3.598 -4.602 1.00 0.46 C ATOM 1101 CG GLU A 69 20.198 3.576 -4.692 1.00 0.50 C ATOM 1102 CD GLU A 69 20.827 4.872 -4.227 1.00 0.65 C ATOM 1103 OE1 GLU A 69 20.996 5.787 -5.055 1.00 1.31 O ATOM 1104 OE2 GLU A 69 21.171 4.976 -3.033 1.00 1.29 O ATOM 0 H GLU A 69 18.093 1.998 -6.951 1.00 0.46 H new ATOM 0 HA GLU A 69 18.235 1.591 -4.047 1.00 0.42 H new ATOM 0 HB2 GLU A 69 18.298 4.336 -5.307 1.00 0.46 H new ATOM 0 HB3 GLU A 69 18.393 3.931 -3.605 1.00 0.46 H new ATOM 0 HG2 GLU A 69 20.582 2.753 -4.089 1.00 0.50 H new ATOM 0 HG3 GLU A 69 20.494 3.382 -5.723 1.00 0.50 H new ATOM 1111 N VAL A 70 15.757 1.803 -4.160 1.00 0.37 N ATOM 1112 CA VAL A 70 14.294 1.875 -4.204 1.00 0.36 C ATOM 1113 C VAL A 70 13.776 3.132 -3.506 1.00 0.35 C ATOM 1114 O VAL A 70 14.111 3.383 -2.351 1.00 0.36 O ATOM 1115 CB VAL A 70 13.653 0.639 -3.546 1.00 0.34 C ATOM 1116 CG1 VAL A 70 12.153 0.819 -3.434 1.00 0.34 C ATOM 1117 CG2 VAL A 70 13.967 -0.614 -4.336 1.00 0.37 C ATOM 0 H VAL A 70 16.127 1.215 -3.413 1.00 0.37 H new ATOM 0 HA VAL A 70 14.014 1.909 -5.257 1.00 0.36 H new ATOM 0 HB VAL A 70 14.072 0.532 -2.546 1.00 0.34 H new ATOM 0 HG11 VAL A 70 11.715 -0.063 -2.967 1.00 0.34 H new ATOM 0 HG12 VAL A 70 11.936 1.697 -2.826 1.00 0.34 H new ATOM 0 HG13 VAL A 70 11.727 0.952 -4.429 1.00 0.34 H new ATOM 0 HG21 VAL A 70 13.504 -1.474 -3.853 1.00 0.37 H new ATOM 0 HG22 VAL A 70 13.577 -0.513 -5.349 1.00 0.37 H new ATOM 0 HG23 VAL A 70 15.047 -0.758 -4.376 1.00 0.37 H new ATOM 1127 N ASP A 71 12.946 3.905 -4.198 1.00 0.38 N ATOM 1128 CA ASP A 71 12.417 5.149 -3.632 1.00 0.39 C ATOM 1129 C ASP A 71 11.216 4.893 -2.731 1.00 0.37 C ATOM 1130 O ASP A 71 10.690 3.780 -2.693 1.00 0.35 O ATOM 1131 CB ASP A 71 12.039 6.149 -4.740 1.00 0.45 C ATOM 1132 CG ASP A 71 10.538 6.343 -4.920 1.00 0.77 C ATOM 1133 OD1 ASP A 71 9.923 5.591 -5.684 1.00 1.43 O ATOM 1134 OD2 ASP A 71 9.967 7.256 -4.287 1.00 1.35 O ATOM 0 H ASP A 71 12.625 3.698 -5.144 1.00 0.38 H new ATOM 0 HA ASP A 71 13.212 5.583 -3.025 1.00 0.39 H new ATOM 0 HB2 ASP A 71 12.494 7.113 -4.515 1.00 0.45 H new ATOM 0 HB3 ASP A 71 12.466 5.808 -5.683 1.00 0.45 H new ATOM 1139 N PHE A 72 10.819 5.933 -1.987 1.00 0.41 N ATOM 1140 CA PHE A 72 9.611 5.903 -1.160 1.00 0.44 C ATOM 1141 C PHE A 72 8.477 5.197 -1.882 1.00 0.40 C ATOM 1142 O PHE A 72 7.918 4.225 -1.387 1.00 0.42 O ATOM 1143 CB PHE A 72 9.136 7.321 -0.857 1.00 0.54 C ATOM 1144 CG PHE A 72 9.780 8.019 0.309 1.00 0.94 C ATOM 1145 CD1 PHE A 72 10.952 8.738 0.154 1.00 1.69 C ATOM 1146 CD2 PHE A 72 9.173 7.996 1.554 1.00 1.70 C ATOM 1147 CE1 PHE A 72 11.505 9.421 1.219 1.00 2.18 C ATOM 1148 CE2 PHE A 72 9.729 8.670 2.624 1.00 2.17 C ATOM 1149 CZ PHE A 72 10.895 9.385 2.453 1.00 2.15 C ATOM 0 H PHE A 72 11.327 6.817 -1.943 1.00 0.41 H new ATOM 0 HA PHE A 72 9.865 5.374 -0.242 1.00 0.44 H new ATOM 0 HB2 PHE A 72 9.295 7.930 -1.747 1.00 0.54 H new ATOM 0 HB3 PHE A 72 8.061 7.288 -0.681 1.00 0.54 H new ATOM 0 HD1 PHE A 72 11.439 8.765 -0.810 1.00 1.69 H new ATOM 0 HD2 PHE A 72 8.254 7.445 1.690 1.00 1.70 H new ATOM 0 HE1 PHE A 72 12.417 9.984 1.084 1.00 2.18 H new ATOM 0 HE2 PHE A 72 9.251 8.637 3.592 1.00 2.17 H new ATOM 0 HZ PHE A 72 11.330 9.917 3.286 1.00 2.15 H new ATOM 1159 N GLN A 73 8.164 5.699 -3.067 1.00 0.38 N ATOM 1160 CA GLN A 73 7.028 5.222 -3.835 1.00 0.37 C ATOM 1161 C GLN A 73 7.256 3.804 -4.342 1.00 0.36 C ATOM 1162 O GLN A 73 6.381 2.955 -4.210 1.00 0.37 O ATOM 1163 CB GLN A 73 6.734 6.164 -5.004 1.00 0.41 C ATOM 1164 CG GLN A 73 5.626 5.664 -5.911 1.00 0.50 C ATOM 1165 CD GLN A 73 6.140 5.182 -7.259 1.00 0.42 C ATOM 1166 OE1 GLN A 73 6.099 5.909 -8.248 1.00 0.63 O ATOM 1167 NE2 GLN A 73 6.670 3.971 -7.291 1.00 0.41 N ATOM 0 H GLN A 73 8.690 6.446 -3.521 1.00 0.38 H new ATOM 0 HA GLN A 73 6.163 5.206 -3.171 1.00 0.37 H new ATOM 0 HB2 GLN A 73 6.460 7.144 -4.613 1.00 0.41 H new ATOM 0 HB3 GLN A 73 7.642 6.298 -5.591 1.00 0.41 H new ATOM 0 HG2 GLN A 73 5.098 4.849 -5.416 1.00 0.50 H new ATOM 0 HG3 GLN A 73 4.902 6.464 -6.068 1.00 0.50 H new ATOM 0 HE21 GLN A 73 6.685 3.398 -6.447 1.00 0.41 H new ATOM 0 HE22 GLN A 73 7.064 3.610 -8.160 1.00 0.41 H new ATOM 1176 N GLU A 74 8.415 3.555 -4.939 1.00 0.37 N ATOM 1177 CA GLU A 74 8.752 2.230 -5.445 1.00 0.40 C ATOM 1178 C GLU A 74 8.654 1.198 -4.329 1.00 0.38 C ATOM 1179 O GLU A 74 8.252 0.052 -4.551 1.00 0.41 O ATOM 1180 CB GLU A 74 10.160 2.242 -6.061 1.00 0.45 C ATOM 1181 CG GLU A 74 10.280 3.162 -7.269 1.00 0.59 C ATOM 1182 CD GLU A 74 11.703 3.304 -7.784 1.00 1.40 C ATOM 1183 OE1 GLU A 74 12.602 3.675 -6.988 1.00 2.04 O ATOM 1184 OE2 GLU A 74 11.921 3.067 -8.994 1.00 2.18 O ATOM 0 H GLU A 74 9.141 4.257 -5.085 1.00 0.37 H new ATOM 0 HA GLU A 74 8.040 1.956 -6.224 1.00 0.40 H new ATOM 0 HB2 GLU A 74 10.878 2.554 -5.303 1.00 0.45 H new ATOM 0 HB3 GLU A 74 10.428 1.228 -6.357 1.00 0.45 H new ATOM 0 HG2 GLU A 74 9.648 2.780 -8.071 1.00 0.59 H new ATOM 0 HG3 GLU A 74 9.898 4.148 -7.004 1.00 0.59 H new ATOM 1191 N TYR A 75 8.977 1.623 -3.118 1.00 0.34 N ATOM 1192 CA TYR A 75 8.929 0.741 -1.977 1.00 0.37 C ATOM 1193 C TYR A 75 7.506 0.668 -1.426 1.00 0.34 C ATOM 1194 O TYR A 75 7.082 -0.358 -0.895 1.00 0.34 O ATOM 1195 CB TYR A 75 9.891 1.206 -0.892 1.00 0.43 C ATOM 1196 CG TYR A 75 10.333 0.059 -0.021 1.00 0.86 C ATOM 1197 CD1 TYR A 75 9.512 -0.434 0.981 1.00 1.50 C ATOM 1198 CD2 TYR A 75 11.554 -0.561 -0.230 1.00 1.72 C ATOM 1199 CE1 TYR A 75 9.901 -1.505 1.751 1.00 1.86 C ATOM 1200 CE2 TYR A 75 11.945 -1.637 0.537 1.00 2.09 C ATOM 1201 CZ TYR A 75 11.114 -2.102 1.526 1.00 1.84 C ATOM 1202 OH TYR A 75 11.493 -3.169 2.293 1.00 2.33 O ATOM 0 H TYR A 75 9.275 2.575 -2.906 1.00 0.34 H new ATOM 0 HA TYR A 75 9.234 -0.254 -2.301 1.00 0.37 H new ATOM 0 HB2 TYR A 75 10.762 1.673 -1.352 1.00 0.43 H new ATOM 0 HB3 TYR A 75 9.409 1.967 -0.278 1.00 0.43 H new ATOM 0 HD1 TYR A 75 8.553 0.030 1.160 1.00 1.50 H new ATOM 0 HD2 TYR A 75 12.210 -0.195 -1.006 1.00 1.72 H new ATOM 0 HE1 TYR A 75 9.252 -1.875 2.531 1.00 1.86 H new ATOM 0 HE2 TYR A 75 12.899 -2.112 0.361 1.00 2.09 H new ATOM 0 HH TYR A 75 11.273 -4.002 1.826 1.00 2.33 H new ATOM 1212 N SER A 76 6.773 1.764 -1.551 1.00 0.35 N ATOM 1213 CA SER A 76 5.371 1.788 -1.174 1.00 0.37 C ATOM 1214 C SER A 76 4.599 0.801 -2.034 1.00 0.36 C ATOM 1215 O SER A 76 3.829 -0.004 -1.525 1.00 0.41 O ATOM 1216 CB SER A 76 4.793 3.196 -1.334 1.00 0.41 C ATOM 1217 OG SER A 76 5.420 4.109 -0.451 1.00 1.21 O ATOM 0 H SER A 76 7.128 2.649 -1.912 1.00 0.35 H new ATOM 0 HA SER A 76 5.281 1.502 -0.126 1.00 0.37 H new ATOM 0 HB2 SER A 76 4.925 3.532 -2.363 1.00 0.41 H new ATOM 0 HB3 SER A 76 3.721 3.176 -1.140 1.00 0.41 H new ATOM 0 HG SER A 76 6.277 4.395 -0.831 1.00 1.21 H new ATOM 1223 N VAL A 77 4.864 0.846 -3.340 1.00 0.35 N ATOM 1224 CA VAL A 77 4.244 -0.056 -4.303 1.00 0.36 C ATOM 1225 C VAL A 77 4.627 -1.491 -3.984 1.00 0.33 C ATOM 1226 O VAL A 77 3.865 -2.428 -4.224 1.00 0.33 O ATOM 1227 CB VAL A 77 4.672 0.278 -5.749 1.00 0.40 C ATOM 1228 CG1 VAL A 77 4.092 -0.725 -6.735 1.00 0.43 C ATOM 1229 CG2 VAL A 77 4.251 1.689 -6.121 1.00 0.44 C ATOM 0 H VAL A 77 5.516 1.511 -3.757 1.00 0.35 H new ATOM 0 HA VAL A 77 3.164 0.068 -4.229 1.00 0.36 H new ATOM 0 HB VAL A 77 5.759 0.216 -5.799 1.00 0.40 H new ATOM 0 HG11 VAL A 77 4.409 -0.467 -7.745 1.00 0.43 H new ATOM 0 HG12 VAL A 77 4.447 -1.725 -6.488 1.00 0.43 H new ATOM 0 HG13 VAL A 77 3.004 -0.703 -6.679 1.00 0.43 H new ATOM 0 HG21 VAL A 77 4.562 1.904 -7.143 1.00 0.44 H new ATOM 0 HG22 VAL A 77 3.167 1.777 -6.045 1.00 0.44 H new ATOM 0 HG23 VAL A 77 4.721 2.400 -5.442 1.00 0.44 H new ATOM 1239 N PHE A 78 5.815 -1.647 -3.433 1.00 0.32 N ATOM 1240 CA PHE A 78 6.266 -2.936 -2.943 1.00 0.29 C ATOM 1241 C PHE A 78 5.314 -3.455 -1.873 1.00 0.27 C ATOM 1242 O PHE A 78 4.747 -4.539 -2.010 1.00 0.28 O ATOM 1243 CB PHE A 78 7.677 -2.810 -2.377 1.00 0.27 C ATOM 1244 CG PHE A 78 8.206 -4.074 -1.765 1.00 0.28 C ATOM 1245 CD1 PHE A 78 7.918 -5.312 -2.317 1.00 1.22 C ATOM 1246 CD2 PHE A 78 9.000 -4.016 -0.637 1.00 1.18 C ATOM 1247 CE1 PHE A 78 8.414 -6.466 -1.752 1.00 1.24 C ATOM 1248 CE2 PHE A 78 9.497 -5.166 -0.068 1.00 1.19 C ATOM 1249 CZ PHE A 78 9.205 -6.393 -0.624 1.00 0.37 C ATOM 0 H PHE A 78 6.490 -0.892 -3.313 1.00 0.32 H new ATOM 0 HA PHE A 78 6.278 -3.645 -3.771 1.00 0.29 H new ATOM 0 HB2 PHE A 78 8.350 -2.496 -3.174 1.00 0.27 H new ATOM 0 HB3 PHE A 78 7.686 -2.023 -1.623 1.00 0.27 H new ATOM 0 HD1 PHE A 78 7.298 -5.373 -3.199 1.00 1.22 H new ATOM 0 HD2 PHE A 78 9.233 -3.058 -0.197 1.00 1.18 H new ATOM 0 HE1 PHE A 78 8.184 -7.426 -2.191 1.00 1.24 H new ATOM 0 HE2 PHE A 78 10.116 -5.107 0.815 1.00 1.19 H new ATOM 0 HZ PHE A 78 9.595 -7.296 -0.177 1.00 0.37 H new ATOM 1259 N LEU A 79 5.128 -2.667 -0.819 1.00 0.27 N ATOM 1260 CA LEU A 79 4.221 -3.046 0.262 1.00 0.26 C ATOM 1261 C LEU A 79 2.805 -3.205 -0.279 1.00 0.31 C ATOM 1262 O LEU A 79 2.031 -4.040 0.185 1.00 0.33 O ATOM 1263 CB LEU A 79 4.211 -1.995 1.364 1.00 0.29 C ATOM 1264 CG LEU A 79 5.576 -1.517 1.850 1.00 0.29 C ATOM 1265 CD1 LEU A 79 5.384 -0.587 3.017 1.00 0.40 C ATOM 1266 CD2 LEU A 79 6.472 -2.689 2.239 1.00 0.30 C ATOM 0 H LEU A 79 5.590 -1.767 -0.689 1.00 0.27 H new ATOM 0 HA LEU A 79 4.573 -3.991 0.677 1.00 0.26 H new ATOM 0 HB2 LEU A 79 3.652 -1.130 1.008 1.00 0.29 H new ATOM 0 HB3 LEU A 79 3.665 -2.398 2.217 1.00 0.29 H new ATOM 0 HG LEU A 79 6.073 -0.988 1.037 1.00 0.29 H new ATOM 0 HD11 LEU A 79 6.355 -0.241 3.370 1.00 0.40 H new ATOM 0 HD12 LEU A 79 4.785 0.269 2.706 1.00 0.40 H new ATOM 0 HD13 LEU A 79 4.872 -1.114 3.822 1.00 0.40 H new ATOM 0 HD21 LEU A 79 7.436 -2.312 2.580 1.00 0.30 H new ATOM 0 HD22 LEU A 79 6.000 -3.257 3.040 1.00 0.30 H new ATOM 0 HD23 LEU A 79 6.621 -3.336 1.374 1.00 0.30 H new ATOM 1278 N SER A 80 2.485 -2.383 -1.267 1.00 0.36 N ATOM 1279 CA SER A 80 1.203 -2.436 -1.946 1.00 0.47 C ATOM 1280 C SER A 80 1.000 -3.807 -2.572 1.00 0.37 C ATOM 1281 O SER A 80 -0.027 -4.452 -2.365 1.00 0.38 O ATOM 1282 CB SER A 80 1.159 -1.363 -3.027 1.00 0.66 C ATOM 1283 OG SER A 80 1.475 -0.089 -2.496 1.00 0.84 O ATOM 0 H SER A 80 3.110 -1.659 -1.620 1.00 0.36 H new ATOM 0 HA SER A 80 0.406 -2.258 -1.224 1.00 0.47 H new ATOM 0 HB2 SER A 80 1.862 -1.614 -3.821 1.00 0.66 H new ATOM 0 HB3 SER A 80 0.167 -1.337 -3.477 1.00 0.66 H new ATOM 0 HG SER A 80 2.406 -0.083 -2.191 1.00 0.84 H new ATOM 1289 N SER A 81 2.003 -4.250 -3.321 1.00 0.33 N ATOM 1290 CA SER A 81 1.985 -5.561 -3.944 1.00 0.30 C ATOM 1291 C SER A 81 1.840 -6.640 -2.885 1.00 0.24 C ATOM 1292 O SER A 81 1.195 -7.656 -3.113 1.00 0.26 O ATOM 1293 CB SER A 81 3.260 -5.771 -4.763 1.00 0.37 C ATOM 1294 OG SER A 81 3.411 -4.741 -5.728 1.00 1.22 O ATOM 0 H SER A 81 2.847 -3.710 -3.511 1.00 0.33 H new ATOM 0 HA SER A 81 1.130 -5.624 -4.617 1.00 0.30 H new ATOM 0 HB2 SER A 81 4.126 -5.785 -4.101 1.00 0.37 H new ATOM 0 HB3 SER A 81 3.223 -6.740 -5.261 1.00 0.37 H new ATOM 0 HG SER A 81 3.652 -3.904 -5.278 1.00 1.22 H new ATOM 1300 N ILE A 82 2.434 -6.399 -1.723 1.00 0.23 N ATOM 1301 CA ILE A 82 2.287 -7.297 -0.586 1.00 0.23 C ATOM 1302 C ILE A 82 0.838 -7.366 -0.125 1.00 0.27 C ATOM 1303 O ILE A 82 0.265 -8.443 -0.017 1.00 0.30 O ATOM 1304 CB ILE A 82 3.141 -6.847 0.605 1.00 0.24 C ATOM 1305 CG1 ILE A 82 4.613 -6.772 0.209 1.00 0.21 C ATOM 1306 CG2 ILE A 82 2.931 -7.783 1.788 1.00 0.28 C ATOM 1307 CD1 ILE A 82 5.513 -6.363 1.344 1.00 0.23 C ATOM 0 H ILE A 82 3.024 -5.586 -1.544 1.00 0.23 H new ATOM 0 HA ILE A 82 2.620 -8.278 -0.925 1.00 0.23 H new ATOM 0 HB ILE A 82 2.827 -5.848 0.907 1.00 0.24 H new ATOM 0 HG12 ILE A 82 4.931 -7.745 -0.166 1.00 0.21 H new ATOM 0 HG13 ILE A 82 4.726 -6.062 -0.610 1.00 0.21 H new ATOM 0 HG21 ILE A 82 3.543 -7.452 2.627 1.00 0.28 H new ATOM 0 HG22 ILE A 82 1.881 -7.772 2.079 1.00 0.28 H new ATOM 0 HG23 ILE A 82 3.219 -8.796 1.506 1.00 0.28 H new ATOM 0 HD11 ILE A 82 6.545 -6.329 0.996 1.00 0.23 H new ATOM 0 HD12 ILE A 82 5.219 -5.377 1.704 1.00 0.23 H new ATOM 0 HD13 ILE A 82 5.427 -7.086 2.155 1.00 0.23 H new ATOM 1319 N ALA A 83 0.258 -6.212 0.161 1.00 0.30 N ATOM 1320 CA ALA A 83 -1.120 -6.148 0.627 1.00 0.36 C ATOM 1321 C ALA A 83 -2.071 -6.776 -0.395 1.00 0.37 C ATOM 1322 O ALA A 83 -2.983 -7.514 -0.028 1.00 0.42 O ATOM 1323 CB ALA A 83 -1.501 -4.708 0.937 1.00 0.40 C ATOM 0 H ALA A 83 0.719 -5.306 0.079 1.00 0.30 H new ATOM 0 HA ALA A 83 -1.208 -6.726 1.547 1.00 0.36 H new ATOM 0 HB1 ALA A 83 -2.533 -4.672 1.285 1.00 0.40 H new ATOM 0 HB2 ALA A 83 -0.843 -4.316 1.713 1.00 0.40 H new ATOM 0 HB3 ALA A 83 -1.400 -4.103 0.036 1.00 0.40 H new ATOM 1329 N MET A 84 -1.828 -6.506 -1.678 1.00 0.37 N ATOM 1330 CA MET A 84 -2.603 -7.125 -2.755 1.00 0.43 C ATOM 1331 C MET A 84 -2.408 -8.630 -2.748 1.00 0.34 C ATOM 1332 O MET A 84 -3.364 -9.375 -2.581 1.00 0.37 O ATOM 1333 CB MET A 84 -2.198 -6.562 -4.119 1.00 0.64 C ATOM 1334 CG MET A 84 -2.331 -5.053 -4.219 1.00 0.44 C ATOM 1335 SD MET A 84 -2.193 -4.447 -5.915 1.00 1.00 S ATOM 1336 CE MET A 84 -0.484 -4.822 -6.293 1.00 1.26 C ATOM 0 H MET A 84 -1.102 -5.864 -1.997 1.00 0.37 H new ATOM 0 HA MET A 84 -3.655 -6.896 -2.583 1.00 0.43 H new ATOM 0 HB2 MET A 84 -1.165 -6.842 -4.326 1.00 0.64 H new ATOM 0 HB3 MET A 84 -2.814 -7.024 -4.891 1.00 0.64 H new ATOM 0 HG2 MET A 84 -3.294 -4.750 -3.807 1.00 0.44 H new ATOM 0 HG3 MET A 84 -1.561 -4.584 -3.607 1.00 0.44 H new ATOM 0 HE1 MET A 84 -0.291 -4.618 -7.346 1.00 1.26 H new ATOM 0 HE2 MET A 84 0.169 -4.203 -5.678 1.00 1.26 H new ATOM 0 HE3 MET A 84 -0.288 -5.874 -6.086 1.00 1.26 H new ATOM 1346 N MET A 85 -1.165 -9.074 -2.894 1.00 0.34 N ATOM 1347 CA MET A 85 -0.869 -10.500 -2.960 1.00 0.35 C ATOM 1348 C MET A 85 -1.447 -11.223 -1.742 1.00 0.35 C ATOM 1349 O MET A 85 -2.021 -12.300 -1.866 1.00 0.42 O ATOM 1350 CB MET A 85 0.645 -10.735 -3.088 1.00 0.39 C ATOM 1351 CG MET A 85 1.417 -10.457 -1.824 1.00 1.36 C ATOM 1352 SD MET A 85 1.686 -11.934 -0.820 1.00 2.66 S ATOM 1353 CE MET A 85 2.627 -11.256 0.544 1.00 3.35 C ATOM 0 H MET A 85 -0.348 -8.469 -2.969 1.00 0.34 H new ATOM 0 HA MET A 85 -1.343 -10.914 -3.850 1.00 0.35 H new ATOM 0 HB2 MET A 85 0.818 -11.769 -3.387 1.00 0.39 H new ATOM 0 HB3 MET A 85 1.034 -10.103 -3.886 1.00 0.39 H new ATOM 0 HG2 MET A 85 2.381 -10.020 -2.083 1.00 1.36 H new ATOM 0 HG3 MET A 85 0.880 -9.716 -1.233 1.00 1.36 H new ATOM 0 HE1 MET A 85 3.078 -12.068 1.114 1.00 3.35 H new ATOM 0 HE2 MET A 85 3.411 -10.605 0.157 1.00 3.35 H new ATOM 0 HE3 MET A 85 1.965 -10.681 1.192 1.00 3.35 H new ATOM 1363 N SER A 86 -1.350 -10.589 -0.579 1.00 0.33 N ATOM 1364 CA SER A 86 -1.845 -11.170 0.657 1.00 0.39 C ATOM 1365 C SER A 86 -3.368 -11.284 0.632 1.00 0.43 C ATOM 1366 O SER A 86 -3.935 -12.195 1.230 1.00 0.57 O ATOM 1367 CB SER A 86 -1.391 -10.324 1.854 1.00 0.43 C ATOM 1368 OG SER A 86 -1.638 -10.986 3.084 1.00 1.24 O ATOM 0 H SER A 86 -0.929 -9.666 -0.469 1.00 0.33 H new ATOM 0 HA SER A 86 -1.432 -12.174 0.757 1.00 0.39 H new ATOM 0 HB2 SER A 86 -0.327 -10.107 1.764 1.00 0.43 H new ATOM 0 HB3 SER A 86 -1.913 -9.367 1.843 1.00 0.43 H new ATOM 0 HG SER A 86 -0.824 -10.977 3.630 1.00 1.24 H new ATOM 1374 N ASN A 87 -4.035 -10.374 -0.074 1.00 0.40 N ATOM 1375 CA ASN A 87 -5.491 -10.379 -0.114 1.00 0.51 C ATOM 1376 C ASN A 87 -6.017 -11.344 -1.179 1.00 0.44 C ATOM 1377 O ASN A 87 -7.034 -12.031 -0.981 1.00 0.53 O ATOM 1378 CB ASN A 87 -6.045 -8.943 -0.271 1.00 0.69 C ATOM 1379 CG ASN A 87 -5.910 -8.281 -1.648 1.00 1.43 C ATOM 1380 OD1 ASN A 87 -5.566 -7.109 -1.735 1.00 2.36 O ATOM 1381 ND2 ASN A 87 -6.237 -8.981 -2.720 1.00 1.49 N ATOM 0 H ASN A 87 -3.595 -9.633 -0.619 1.00 0.40 H new ATOM 0 HA ASN A 87 -5.860 -10.752 0.841 1.00 0.51 H new ATOM 0 HB2 ASN A 87 -7.103 -8.959 -0.007 1.00 0.69 H new ATOM 0 HB3 ASN A 87 -5.544 -8.307 0.459 1.00 0.69 H new ATOM 0 HD21 ASN A 87 -6.206 -8.546 -3.642 1.00 1.49 H new ATOM 0 HD22 ASN A 87 -6.521 -9.956 -2.625 1.00 1.49 H new ATOM 1388 N GLU A 88 -5.327 -11.409 -2.308 1.00 0.37 N ATOM 1389 CA GLU A 88 -5.684 -12.356 -3.350 1.00 0.43 C ATOM 1390 C GLU A 88 -5.480 -13.765 -2.812 1.00 0.52 C ATOM 1391 O GLU A 88 -6.303 -14.655 -3.021 1.00 0.66 O ATOM 1392 CB GLU A 88 -4.851 -12.134 -4.617 1.00 0.48 C ATOM 1393 CG GLU A 88 -4.447 -10.684 -4.853 1.00 0.51 C ATOM 1394 CD GLU A 88 -4.060 -10.409 -6.289 1.00 0.90 C ATOM 1395 OE1 GLU A 88 -4.965 -10.267 -7.137 1.00 1.49 O ATOM 1396 OE2 GLU A 88 -2.851 -10.315 -6.577 1.00 1.73 O ATOM 0 H GLU A 88 -4.522 -10.821 -2.524 1.00 0.37 H new ATOM 0 HA GLU A 88 -6.728 -12.210 -3.626 1.00 0.43 H new ATOM 0 HB2 GLU A 88 -3.950 -12.745 -4.558 1.00 0.48 H new ATOM 0 HB3 GLU A 88 -5.419 -12.486 -5.478 1.00 0.48 H new ATOM 0 HG2 GLU A 88 -5.274 -10.031 -4.573 1.00 0.51 H new ATOM 0 HG3 GLU A 88 -3.609 -10.435 -4.202 1.00 0.51 H new ATOM 1403 N PHE A 89 -4.395 -13.932 -2.068 1.00 0.50 N ATOM 1404 CA PHE A 89 -4.103 -15.188 -1.396 1.00 0.63 C ATOM 1405 C PHE A 89 -4.909 -15.327 -0.105 1.00 0.66 C ATOM 1406 O PHE A 89 -4.935 -16.394 0.506 1.00 0.79 O ATOM 1407 CB PHE A 89 -2.609 -15.291 -1.100 1.00 0.73 C ATOM 1408 CG PHE A 89 -1.784 -15.643 -2.309 1.00 1.19 C ATOM 1409 CD1 PHE A 89 -2.008 -16.827 -2.992 1.00 1.71 C ATOM 1410 CD2 PHE A 89 -0.791 -14.791 -2.765 1.00 2.16 C ATOM 1411 CE1 PHE A 89 -1.258 -17.153 -4.105 1.00 2.38 C ATOM 1412 CE2 PHE A 89 -0.039 -15.111 -3.878 1.00 2.80 C ATOM 1413 CZ PHE A 89 -0.273 -16.295 -4.549 1.00 2.70 C ATOM 0 H PHE A 89 -3.697 -13.204 -1.915 1.00 0.50 H new ATOM 0 HA PHE A 89 -4.392 -16.002 -2.061 1.00 0.63 H new ATOM 0 HB2 PHE A 89 -2.260 -14.341 -0.695 1.00 0.73 H new ATOM 0 HB3 PHE A 89 -2.450 -16.044 -0.329 1.00 0.73 H new ATOM 0 HD1 PHE A 89 -2.778 -17.503 -2.650 1.00 1.71 H new ATOM 0 HD2 PHE A 89 -0.603 -13.864 -2.243 1.00 2.16 H new ATOM 0 HE1 PHE A 89 -1.443 -18.080 -4.628 1.00 2.38 H new ATOM 0 HE2 PHE A 89 0.731 -14.437 -4.223 1.00 2.80 H new ATOM 0 HZ PHE A 89 0.314 -16.549 -5.419 1.00 2.70 H new ATOM 1423 N PHE A 90 -5.564 -14.244 0.313 1.00 0.60 N ATOM 1424 CA PHE A 90 -6.466 -14.302 1.462 1.00 0.68 C ATOM 1425 C PHE A 90 -7.631 -15.220 1.131 1.00 0.68 C ATOM 1426 O PHE A 90 -8.099 -15.983 1.975 1.00 0.80 O ATOM 1427 CB PHE A 90 -6.966 -12.902 1.836 1.00 0.69 C ATOM 1428 CG PHE A 90 -7.910 -12.870 3.005 1.00 0.85 C ATOM 1429 CD1 PHE A 90 -7.426 -12.849 4.302 1.00 1.46 C ATOM 1430 CD2 PHE A 90 -9.283 -12.852 2.805 1.00 1.53 C ATOM 1431 CE1 PHE A 90 -8.291 -12.813 5.377 1.00 1.59 C ATOM 1432 CE2 PHE A 90 -10.151 -12.816 3.876 1.00 1.64 C ATOM 1433 CZ PHE A 90 -9.656 -12.796 5.164 1.00 1.21 C ATOM 0 H PHE A 90 -5.488 -13.325 -0.122 1.00 0.60 H new ATOM 0 HA PHE A 90 -5.927 -14.697 2.323 1.00 0.68 H new ATOM 0 HB2 PHE A 90 -6.106 -12.271 2.062 1.00 0.69 H new ATOM 0 HB3 PHE A 90 -7.464 -12.464 0.971 1.00 0.69 H new ATOM 0 HD1 PHE A 90 -6.360 -12.861 4.474 1.00 1.46 H new ATOM 0 HD2 PHE A 90 -9.676 -12.866 1.799 1.00 1.53 H new ATOM 0 HE1 PHE A 90 -7.901 -12.798 6.384 1.00 1.59 H new ATOM 0 HE2 PHE A 90 -11.218 -12.803 3.707 1.00 1.64 H new ATOM 0 HZ PHE A 90 -10.334 -12.767 6.004 1.00 1.21 H new ATOM 1443 N GLU A 91 -8.096 -15.140 -0.111 1.00 0.61 N ATOM 1444 CA GLU A 91 -9.054 -16.124 -0.611 1.00 0.72 C ATOM 1445 C GLU A 91 -8.339 -17.427 -0.910 1.00 0.77 C ATOM 1446 O GLU A 91 -8.821 -18.515 -0.600 1.00 0.96 O ATOM 1447 CB GLU A 91 -9.723 -15.662 -1.901 1.00 0.83 C ATOM 1448 CG GLU A 91 -10.560 -14.420 -1.760 1.00 0.92 C ATOM 1449 CD GLU A 91 -11.156 -13.984 -3.083 1.00 1.57 C ATOM 1450 OE1 GLU A 91 -10.475 -13.237 -3.819 1.00 2.25 O ATOM 1451 OE2 GLU A 91 -12.300 -14.366 -3.381 1.00 2.23 O ATOM 0 H GLU A 91 -7.832 -14.418 -0.781 1.00 0.61 H new ATOM 0 HA GLU A 91 -9.812 -16.253 0.161 1.00 0.72 H new ATOM 0 HB2 GLU A 91 -8.952 -15.482 -2.651 1.00 0.83 H new ATOM 0 HB3 GLU A 91 -10.352 -16.468 -2.278 1.00 0.83 H new ATOM 0 HG2 GLU A 91 -11.361 -14.602 -1.044 1.00 0.92 H new ATOM 0 HG3 GLU A 91 -9.948 -13.614 -1.355 1.00 0.92 H new ATOM 1458 N GLY A 92 -7.175 -17.287 -1.518 1.00 0.71 N ATOM 1459 CA GLY A 92 -6.461 -18.422 -2.043 1.00 0.82 C ATOM 1460 C GLY A 92 -6.419 -18.357 -3.550 1.00 0.81 C ATOM 1461 O GLY A 92 -5.678 -19.087 -4.206 1.00 0.92 O ATOM 0 H GLY A 92 -6.707 -16.391 -1.658 1.00 0.71 H new ATOM 0 HA2 GLY A 92 -5.447 -18.440 -1.644 1.00 0.82 H new ATOM 0 HA3 GLY A 92 -6.945 -19.345 -1.724 1.00 0.82 H new ATOM 1465 N PHE A 93 -7.219 -17.447 -4.086 1.00 0.76 N ATOM 1466 CA PHE A 93 -7.326 -17.232 -5.514 1.00 0.78 C ATOM 1467 C PHE A 93 -8.118 -15.955 -5.744 1.00 0.69 C ATOM 1468 O PHE A 93 -9.167 -15.760 -5.131 1.00 0.82 O ATOM 1469 CB PHE A 93 -8.017 -18.418 -6.200 1.00 1.00 C ATOM 1470 CG PHE A 93 -8.004 -18.339 -7.701 1.00 1.68 C ATOM 1471 CD1 PHE A 93 -6.948 -18.869 -8.423 1.00 2.59 C ATOM 1472 CD2 PHE A 93 -9.044 -17.733 -8.389 1.00 2.41 C ATOM 1473 CE1 PHE A 93 -6.929 -18.795 -9.802 1.00 3.60 C ATOM 1474 CE2 PHE A 93 -9.028 -17.657 -9.768 1.00 3.46 C ATOM 1475 CZ PHE A 93 -7.969 -18.189 -10.474 1.00 3.91 C ATOM 0 H PHE A 93 -7.817 -16.833 -3.533 1.00 0.76 H new ATOM 0 HA PHE A 93 -6.329 -17.142 -5.945 1.00 0.78 H new ATOM 0 HB2 PHE A 93 -7.528 -19.341 -5.889 1.00 1.00 H new ATOM 0 HB3 PHE A 93 -9.050 -18.473 -5.857 1.00 1.00 H new ATOM 0 HD1 PHE A 93 -6.130 -19.345 -7.902 1.00 2.59 H new ATOM 0 HD2 PHE A 93 -9.876 -17.316 -7.841 1.00 2.41 H new ATOM 0 HE1 PHE A 93 -6.099 -19.212 -10.354 1.00 3.60 H new ATOM 0 HE2 PHE A 93 -9.843 -17.182 -10.293 1.00 3.46 H new ATOM 0 HZ PHE A 93 -7.955 -18.131 -11.552 1.00 3.91 H new ATOM 1485 N PRO A 94 -7.613 -15.053 -6.588 1.00 0.64 N ATOM 1486 CA PRO A 94 -8.273 -13.776 -6.860 1.00 0.61 C ATOM 1487 C PRO A 94 -9.617 -13.929 -7.575 1.00 0.71 C ATOM 1488 O PRO A 94 -9.678 -14.029 -8.803 1.00 0.90 O ATOM 1489 CB PRO A 94 -7.271 -13.036 -7.747 1.00 0.65 C ATOM 1490 CG PRO A 94 -6.409 -14.092 -8.342 1.00 0.84 C ATOM 1491 CD PRO A 94 -6.348 -15.198 -7.331 1.00 0.83 C ATOM 0 HA PRO A 94 -8.517 -13.252 -5.936 1.00 0.61 H new ATOM 0 HB2 PRO A 94 -7.781 -12.464 -8.522 1.00 0.65 H new ATOM 0 HB3 PRO A 94 -6.680 -12.329 -7.165 1.00 0.65 H new ATOM 0 HG2 PRO A 94 -6.824 -14.448 -9.285 1.00 0.84 H new ATOM 0 HG3 PRO A 94 -5.413 -13.706 -8.558 1.00 0.84 H new ATOM 0 HD2 PRO A 94 -6.272 -16.175 -7.808 1.00 0.83 H new ATOM 0 HD3 PRO A 94 -5.483 -15.096 -6.675 1.00 0.83 H new ATOM 1499 N ASP A 95 -10.691 -13.940 -6.796 1.00 0.71 N ATOM 1500 CA ASP A 95 -12.042 -14.045 -7.346 1.00 0.88 C ATOM 1501 C ASP A 95 -12.805 -12.739 -7.189 1.00 0.84 C ATOM 1502 O ASP A 95 -13.824 -12.513 -7.838 1.00 0.96 O ATOM 1503 CB ASP A 95 -12.816 -15.184 -6.684 1.00 1.12 C ATOM 1504 CG ASP A 95 -12.465 -16.542 -7.256 1.00 1.70 C ATOM 1505 OD1 ASP A 95 -12.566 -16.717 -8.490 1.00 2.16 O ATOM 1506 OD2 ASP A 95 -12.118 -17.451 -6.475 1.00 2.40 O ATOM 0 H ASP A 95 -10.655 -13.877 -5.779 1.00 0.71 H new ATOM 0 HA ASP A 95 -11.943 -14.261 -8.410 1.00 0.88 H new ATOM 0 HB2 ASP A 95 -12.612 -15.182 -5.613 1.00 1.12 H new ATOM 0 HB3 ASP A 95 -13.885 -15.009 -6.805 1.00 1.12 H new ATOM 1511 N LYS A 96 -12.303 -11.887 -6.318 1.00 0.81 N ATOM 1512 CA LYS A 96 -12.855 -10.549 -6.130 1.00 0.86 C ATOM 1513 C LYS A 96 -12.309 -9.629 -7.204 1.00 0.84 C ATOM 1514 O LYS A 96 -12.834 -8.550 -7.463 1.00 0.95 O ATOM 1515 CB LYS A 96 -12.457 -10.017 -4.755 1.00 0.97 C ATOM 1516 CG LYS A 96 -11.014 -10.343 -4.412 1.00 0.94 C ATOM 1517 CD LYS A 96 -10.540 -9.635 -3.157 1.00 0.65 C ATOM 1518 CE LYS A 96 -9.275 -10.277 -2.616 1.00 0.84 C ATOM 1519 NZ LYS A 96 -9.553 -11.586 -1.986 1.00 1.86 N ATOM 0 H LYS A 96 -11.504 -12.096 -5.720 1.00 0.81 H new ATOM 0 HA LYS A 96 -13.942 -10.591 -6.199 1.00 0.86 H new ATOM 0 HB2 LYS A 96 -12.600 -8.937 -4.729 1.00 0.97 H new ATOM 0 HB3 LYS A 96 -13.114 -10.444 -3.997 1.00 0.97 H new ATOM 0 HG2 LYS A 96 -10.910 -11.420 -4.279 1.00 0.94 H new ATOM 0 HG3 LYS A 96 -10.373 -10.062 -5.248 1.00 0.94 H new ATOM 0 HD2 LYS A 96 -10.354 -8.584 -3.376 1.00 0.65 H new ATOM 0 HD3 LYS A 96 -11.322 -9.668 -2.399 1.00 0.65 H new ATOM 0 HE2 LYS A 96 -8.558 -10.408 -3.426 1.00 0.84 H new ATOM 0 HE3 LYS A 96 -8.813 -9.612 -1.886 1.00 0.84 H new ATOM 0 HZ1 LYS A 96 -8.798 -11.812 -1.308 1.00 1.86 H new ATOM 0 HZ2 LYS A 96 -10.465 -11.545 -1.487 1.00 1.86 H new ATOM 0 HZ3 LYS A 96 -9.593 -12.323 -2.719 1.00 1.86 H new ATOM 1663 N SER B 3 8.949 -3.466 12.205 1.00 0.80 N ATOM 1664 CA SER B 3 8.470 -4.395 13.221 1.00 0.78 C ATOM 1665 C SER B 3 6.955 -4.707 12.972 1.00 0.65 C ATOM 1666 O SER B 3 6.473 -4.513 11.857 1.00 0.83 O ATOM 1667 CB SER B 3 8.719 -3.736 14.579 1.00 0.97 C ATOM 1668 OG SER B 3 9.921 -2.984 14.559 1.00 1.18 O ATOM 0 HA SER B 3 8.993 -5.351 13.186 1.00 0.78 H new ATOM 0 HB2 SER B 3 7.882 -3.086 14.832 1.00 0.97 H new ATOM 0 HB3 SER B 3 8.775 -4.500 15.355 1.00 0.97 H new ATOM 0 HG SER B 3 10.149 -2.756 13.634 1.00 1.18 H new ATOM 1674 N PRO B 4 6.187 -5.272 13.938 1.00 0.67 N ATOM 1675 CA PRO B 4 4.731 -5.498 13.788 1.00 0.62 C ATOM 1676 C PRO B 4 3.932 -4.461 12.952 1.00 0.47 C ATOM 1677 O PRO B 4 2.815 -4.760 12.549 1.00 0.50 O ATOM 1678 CB PRO B 4 4.266 -5.492 15.235 1.00 0.79 C ATOM 1679 CG PRO B 4 5.365 -6.192 15.952 1.00 0.97 C ATOM 1680 CD PRO B 4 6.642 -5.789 15.253 1.00 0.88 C ATOM 0 HA PRO B 4 4.551 -6.410 13.218 1.00 0.62 H new ATOM 0 HB2 PRO B 4 4.125 -4.477 15.608 1.00 0.79 H new ATOM 0 HB3 PRO B 4 3.314 -6.010 15.354 1.00 0.79 H new ATOM 0 HG2 PRO B 4 5.389 -5.906 17.004 1.00 0.97 H new ATOM 0 HG3 PRO B 4 5.226 -7.273 15.919 1.00 0.97 H new ATOM 0 HD2 PRO B 4 7.181 -5.027 15.816 1.00 0.88 H new ATOM 0 HD3 PRO B 4 7.317 -6.637 15.136 1.00 0.88 H new ATOM 1688 N LEU B 5 4.476 -3.264 12.681 1.00 0.36 N ATOM 1689 CA LEU B 5 3.757 -2.266 11.873 1.00 0.32 C ATOM 1690 C LEU B 5 3.579 -2.749 10.439 1.00 0.30 C ATOM 1691 O LEU B 5 2.531 -2.554 9.841 1.00 0.32 O ATOM 1692 CB LEU B 5 4.467 -0.911 11.881 1.00 0.32 C ATOM 1693 CG LEU B 5 4.024 0.078 10.790 1.00 0.30 C ATOM 1694 CD1 LEU B 5 3.900 1.469 11.381 1.00 0.41 C ATOM 1695 CD2 LEU B 5 5.009 0.096 9.618 1.00 0.27 C ATOM 0 H LEU B 5 5.397 -2.967 13.004 1.00 0.36 H new ATOM 0 HA LEU B 5 2.775 -2.137 12.328 1.00 0.32 H new ATOM 0 HB2 LEU B 5 4.311 -0.445 12.854 1.00 0.32 H new ATOM 0 HB3 LEU B 5 5.539 -1.082 11.778 1.00 0.32 H new ATOM 0 HG LEU B 5 3.056 -0.248 10.410 1.00 0.30 H new ATOM 0 HD11 LEU B 5 3.586 2.167 10.605 1.00 0.41 H new ATOM 0 HD12 LEU B 5 3.160 1.460 12.182 1.00 0.41 H new ATOM 0 HD13 LEU B 5 4.864 1.781 11.782 1.00 0.41 H new ATOM 0 HD21 LEU B 5 4.666 0.805 8.865 1.00 0.27 H new ATOM 0 HD22 LEU B 5 5.994 0.395 9.975 1.00 0.27 H new ATOM 0 HD23 LEU B 5 5.069 -0.899 9.178 1.00 0.27 H new ATOM 1707 N GLU B 6 4.613 -3.369 9.897 1.00 0.35 N ATOM 1708 CA GLU B 6 4.543 -3.980 8.577 1.00 0.42 C ATOM 1709 C GLU B 6 3.380 -4.950 8.518 1.00 0.34 C ATOM 1710 O GLU B 6 2.479 -4.844 7.687 1.00 0.32 O ATOM 1711 CB GLU B 6 5.851 -4.711 8.320 1.00 0.62 C ATOM 1712 CG GLU B 6 5.831 -5.651 7.133 1.00 1.80 C ATOM 1713 CD GLU B 6 5.008 -5.150 5.961 1.00 2.84 C ATOM 1714 OE1 GLU B 6 5.169 -3.976 5.571 1.00 3.61 O ATOM 1715 OE2 GLU B 6 4.207 -5.944 5.429 1.00 3.32 O ATOM 0 H GLU B 6 5.520 -3.464 10.354 1.00 0.35 H new ATOM 0 HA GLU B 6 4.389 -3.215 7.815 1.00 0.42 H new ATOM 0 HB2 GLU B 6 6.639 -3.974 8.168 1.00 0.62 H new ATOM 0 HB3 GLU B 6 6.114 -5.280 9.212 1.00 0.62 H new ATOM 0 HG2 GLU B 6 6.855 -5.819 6.799 1.00 1.80 H new ATOM 0 HG3 GLU B 6 5.438 -6.616 7.454 1.00 1.80 H new ATOM 1722 N LYS B 7 3.397 -5.876 9.437 1.00 0.35 N ATOM 1723 CA LYS B 7 2.376 -6.885 9.510 1.00 0.36 C ATOM 1724 C LYS B 7 1.052 -6.261 9.934 1.00 0.32 C ATOM 1725 O LYS B 7 -0.008 -6.857 9.776 1.00 0.35 O ATOM 1726 CB LYS B 7 2.844 -8.029 10.410 1.00 0.44 C ATOM 1727 CG LYS B 7 4.260 -8.523 10.058 1.00 0.64 C ATOM 1728 CD LYS B 7 4.335 -9.389 8.784 1.00 0.80 C ATOM 1729 CE LYS B 7 3.656 -8.750 7.577 1.00 1.78 C ATOM 1730 NZ LYS B 7 3.911 -9.493 6.317 1.00 2.82 N ATOM 0 H LYS B 7 4.117 -5.953 10.155 1.00 0.35 H new ATOM 0 HA LYS B 7 2.198 -7.322 8.528 1.00 0.36 H new ATOM 0 HB2 LYS B 7 2.827 -7.699 11.449 1.00 0.44 H new ATOM 0 HB3 LYS B 7 2.143 -8.860 10.328 1.00 0.44 H new ATOM 0 HG2 LYS B 7 4.913 -7.659 9.934 1.00 0.64 H new ATOM 0 HG3 LYS B 7 4.650 -9.099 10.897 1.00 0.64 H new ATOM 0 HD2 LYS B 7 5.381 -9.580 8.544 1.00 0.80 H new ATOM 0 HD3 LYS B 7 3.872 -10.356 8.983 1.00 0.80 H new ATOM 0 HE2 LYS B 7 2.582 -8.700 7.754 1.00 1.78 H new ATOM 0 HE3 LYS B 7 4.009 -7.725 7.467 1.00 1.78 H new ATOM 0 HZ1 LYS B 7 3.309 -9.110 5.560 1.00 2.82 H new ATOM 0 HZ2 LYS B 7 4.911 -9.390 6.050 1.00 2.82 H new ATOM 0 HZ3 LYS B 7 3.692 -10.500 6.457 1.00 2.82 H new ATOM 1744 N ALA B 8 1.131 -5.059 10.490 1.00 0.29 N ATOM 1745 CA ALA B 8 -0.056 -4.258 10.767 1.00 0.29 C ATOM 1746 C ALA B 8 -0.667 -3.698 9.481 1.00 0.27 C ATOM 1747 O ALA B 8 -1.867 -3.455 9.427 1.00 0.28 O ATOM 1748 CB ALA B 8 0.251 -3.128 11.726 1.00 0.32 C ATOM 0 H ALA B 8 2.009 -4.615 10.759 1.00 0.29 H new ATOM 0 HA ALA B 8 -0.783 -4.922 11.235 1.00 0.29 H new ATOM 0 HB1 ALA B 8 -0.655 -2.551 11.911 1.00 0.32 H new ATOM 0 HB2 ALA B 8 0.618 -3.539 12.667 1.00 0.32 H new ATOM 0 HB3 ALA B 8 1.012 -2.479 11.292 1.00 0.32 H new ATOM 1754 N LEU B 9 0.145 -3.473 8.445 1.00 0.25 N ATOM 1755 CA LEU B 9 -0.418 -3.115 7.137 1.00 0.25 C ATOM 1756 C LEU B 9 -1.172 -4.324 6.614 1.00 0.25 C ATOM 1757 O LEU B 9 -2.168 -4.219 5.901 1.00 0.26 O ATOM 1758 CB LEU B 9 0.650 -2.715 6.107 1.00 0.26 C ATOM 1759 CG LEU B 9 1.926 -2.096 6.660 1.00 0.25 C ATOM 1760 CD1 LEU B 9 2.866 -1.730 5.529 1.00 0.33 C ATOM 1761 CD2 LEU B 9 1.630 -0.879 7.514 1.00 0.27 C ATOM 0 H LEU B 9 1.163 -3.529 8.480 1.00 0.25 H new ATOM 0 HA LEU B 9 -1.064 -2.248 7.275 1.00 0.25 H new ATOM 0 HB2 LEU B 9 0.921 -3.602 5.534 1.00 0.26 H new ATOM 0 HB3 LEU B 9 0.203 -2.008 5.408 1.00 0.26 H new ATOM 0 HG LEU B 9 2.407 -2.839 7.296 1.00 0.25 H new ATOM 0 HD11 LEU B 9 3.774 -1.288 5.939 1.00 0.33 H new ATOM 0 HD12 LEU B 9 3.122 -2.626 4.964 1.00 0.33 H new ATOM 0 HD13 LEU B 9 2.379 -1.012 4.869 1.00 0.33 H new ATOM 0 HD21 LEU B 9 2.564 -0.464 7.892 1.00 0.27 H new ATOM 0 HD22 LEU B 9 1.116 -0.129 6.913 1.00 0.27 H new ATOM 0 HD23 LEU B 9 0.996 -1.168 8.352 1.00 0.27 H new ATOM 1773 N ASP B 10 -0.673 -5.483 6.989 1.00 0.27 N ATOM 1774 CA ASP B 10 -1.370 -6.736 6.719 1.00 0.28 C ATOM 1775 C ASP B 10 -2.646 -6.801 7.564 1.00 0.27 C ATOM 1776 O ASP B 10 -3.676 -7.327 7.132 1.00 0.28 O ATOM 1777 CB ASP B 10 -0.461 -7.934 7.007 1.00 0.33 C ATOM 1778 CG ASP B 10 -1.135 -9.266 6.746 1.00 0.37 C ATOM 1779 OD1 ASP B 10 -1.072 -9.759 5.597 1.00 1.15 O ATOM 1780 OD2 ASP B 10 -1.708 -9.841 7.694 1.00 1.18 O ATOM 0 H ASP B 10 0.213 -5.590 7.483 1.00 0.27 H new ATOM 0 HA ASP B 10 -1.642 -6.775 5.664 1.00 0.28 H new ATOM 0 HB2 ASP B 10 0.435 -7.860 6.391 1.00 0.33 H new ATOM 0 HB3 ASP B 10 -0.137 -7.895 8.047 1.00 0.33 H new ATOM 1785 N VAL B 11 -2.583 -6.225 8.763 1.00 0.27 N ATOM 1786 CA VAL B 11 -3.758 -6.093 9.605 1.00 0.27 C ATOM 1787 C VAL B 11 -4.743 -5.116 8.966 1.00 0.27 C ATOM 1788 O VAL B 11 -5.943 -5.203 9.187 1.00 0.28 O ATOM 1789 CB VAL B 11 -3.385 -5.621 11.030 1.00 0.28 C ATOM 1790 CG1 VAL B 11 -4.623 -5.381 11.873 1.00 0.30 C ATOM 1791 CG2 VAL B 11 -2.482 -6.640 11.702 1.00 0.31 C ATOM 0 H VAL B 11 -1.728 -5.844 9.168 1.00 0.27 H new ATOM 0 HA VAL B 11 -4.224 -7.074 9.694 1.00 0.27 H new ATOM 0 HB VAL B 11 -2.850 -4.675 10.941 1.00 0.28 H new ATOM 0 HG11 VAL B 11 -4.327 -5.050 12.869 1.00 0.30 H new ATOM 0 HG12 VAL B 11 -5.239 -4.614 11.404 1.00 0.30 H new ATOM 0 HG13 VAL B 11 -5.194 -6.306 11.953 1.00 0.30 H new ATOM 0 HG21 VAL B 11 -2.227 -6.295 12.704 1.00 0.31 H new ATOM 0 HG22 VAL B 11 -2.999 -7.597 11.768 1.00 0.31 H new ATOM 0 HG23 VAL B 11 -1.570 -6.760 11.117 1.00 0.31 H new ATOM 1801 N MET B 12 -4.220 -4.193 8.163 1.00 0.26 N ATOM 1802 CA MET B 12 -5.054 -3.303 7.358 1.00 0.29 C ATOM 1803 C MET B 12 -5.932 -4.121 6.421 1.00 0.29 C ATOM 1804 O MET B 12 -7.125 -3.860 6.290 1.00 0.33 O ATOM 1805 CB MET B 12 -4.185 -2.315 6.562 1.00 0.32 C ATOM 1806 CG MET B 12 -4.928 -1.551 5.483 1.00 0.98 C ATOM 1807 SD MET B 12 -5.170 -2.494 3.959 1.00 2.23 S ATOM 1808 CE MET B 12 -3.481 -2.709 3.401 1.00 2.75 C ATOM 0 H MET B 12 -3.218 -4.041 8.052 1.00 0.26 H new ATOM 0 HA MET B 12 -5.694 -2.726 8.025 1.00 0.29 H new ATOM 0 HB2 MET B 12 -3.742 -1.600 7.256 1.00 0.32 H new ATOM 0 HB3 MET B 12 -3.364 -2.863 6.101 1.00 0.32 H new ATOM 0 HG2 MET B 12 -5.901 -1.247 5.870 1.00 0.98 H new ATOM 0 HG3 MET B 12 -4.378 -0.639 5.252 1.00 0.98 H new ATOM 0 HE1 MET B 12 -3.407 -2.433 2.349 1.00 2.75 H new ATOM 0 HE2 MET B 12 -2.820 -2.073 3.990 1.00 2.75 H new ATOM 0 HE3 MET B 12 -3.187 -3.751 3.524 1.00 2.75 H new ATOM 1818 N VAL B 13 -5.330 -5.119 5.780 1.00 0.29 N ATOM 1819 CA VAL B 13 -6.069 -6.045 4.928 1.00 0.31 C ATOM 1820 C VAL B 13 -7.227 -6.667 5.713 1.00 0.27 C ATOM 1821 O VAL B 13 -8.351 -6.822 5.212 1.00 0.27 O ATOM 1822 CB VAL B 13 -5.141 -7.161 4.393 1.00 0.37 C ATOM 1823 CG1 VAL B 13 -5.895 -8.109 3.476 1.00 0.42 C ATOM 1824 CG2 VAL B 13 -3.942 -6.562 3.670 1.00 0.42 C ATOM 0 H VAL B 13 -4.329 -5.307 5.835 1.00 0.29 H new ATOM 0 HA VAL B 13 -6.465 -5.487 4.079 1.00 0.31 H new ATOM 0 HB VAL B 13 -4.781 -7.734 5.248 1.00 0.37 H new ATOM 0 HG11 VAL B 13 -5.217 -8.883 3.116 1.00 0.42 H new ATOM 0 HG12 VAL B 13 -6.714 -8.572 4.026 1.00 0.42 H new ATOM 0 HG13 VAL B 13 -6.295 -7.553 2.628 1.00 0.42 H new ATOM 0 HG21 VAL B 13 -3.302 -7.363 3.301 1.00 0.42 H new ATOM 0 HG22 VAL B 13 -4.288 -5.958 2.831 1.00 0.42 H new ATOM 0 HG23 VAL B 13 -3.377 -5.935 4.360 1.00 0.42 H new ATOM 1834 N SER B 14 -6.954 -6.998 6.966 1.00 0.26 N ATOM 1835 CA SER B 14 -7.977 -7.531 7.846 1.00 0.26 C ATOM 1836 C SER B 14 -8.988 -6.450 8.233 1.00 0.25 C ATOM 1837 O SER B 14 -10.182 -6.726 8.375 1.00 0.25 O ATOM 1838 CB SER B 14 -7.332 -8.141 9.089 1.00 0.31 C ATOM 1839 OG SER B 14 -6.318 -9.072 8.734 1.00 1.18 O ATOM 0 H SER B 14 -6.033 -6.906 7.394 1.00 0.26 H new ATOM 0 HA SER B 14 -8.518 -8.313 7.313 1.00 0.26 H new ATOM 0 HB2 SER B 14 -6.905 -7.351 9.706 1.00 0.31 H new ATOM 0 HB3 SER B 14 -8.093 -8.639 9.690 1.00 0.31 H new ATOM 0 HG SER B 14 -5.919 -9.447 9.547 1.00 1.18 H new ATOM 1845 N THR B 15 -8.508 -5.224 8.374 1.00 0.28 N ATOM 1846 CA THR B 15 -9.364 -4.088 8.660 1.00 0.32 C ATOM 1847 C THR B 15 -10.372 -3.916 7.520 1.00 0.28 C ATOM 1848 O THR B 15 -11.540 -3.560 7.733 1.00 0.29 O ATOM 1849 CB THR B 15 -8.534 -2.800 8.835 1.00 0.45 C ATOM 1850 OG1 THR B 15 -7.431 -3.048 9.722 1.00 0.59 O ATOM 1851 CG2 THR B 15 -9.390 -1.686 9.409 1.00 0.93 C ATOM 0 H THR B 15 -7.518 -4.991 8.293 1.00 0.28 H new ATOM 0 HA THR B 15 -9.894 -4.274 9.594 1.00 0.32 H new ATOM 0 HB THR B 15 -8.163 -2.496 7.856 1.00 0.45 H new ATOM 0 HG1 THR B 15 -6.866 -3.757 9.351 1.00 0.59 H new ATOM 0 HG21 THR B 15 -8.786 -0.786 9.525 1.00 0.93 H new ATOM 0 HG22 THR B 15 -10.221 -1.481 8.734 1.00 0.93 H new ATOM 0 HG23 THR B 15 -9.779 -1.990 10.381 1.00 0.93 H new ATOM 1859 N PHE B 16 -9.906 -4.200 6.307 1.00 0.27 N ATOM 1860 CA PHE B 16 -10.749 -4.158 5.126 1.00 0.27 C ATOM 1861 C PHE B 16 -11.932 -5.099 5.270 1.00 0.29 C ATOM 1862 O PHE B 16 -13.074 -4.651 5.244 1.00 0.37 O ATOM 1863 CB PHE B 16 -9.940 -4.477 3.860 1.00 0.34 C ATOM 1864 CG PHE B 16 -10.775 -4.523 2.612 1.00 0.83 C ATOM 1865 CD1 PHE B 16 -11.380 -5.701 2.208 1.00 1.73 C ATOM 1866 CD2 PHE B 16 -10.961 -3.386 1.849 1.00 1.65 C ATOM 1867 CE1 PHE B 16 -12.154 -5.742 1.068 1.00 2.34 C ATOM 1868 CE2 PHE B 16 -11.736 -3.424 0.708 1.00 2.27 C ATOM 1869 CZ PHE B 16 -12.334 -4.601 0.319 1.00 2.36 C ATOM 0 H PHE B 16 -8.939 -4.464 6.120 1.00 0.27 H new ATOM 0 HA PHE B 16 -11.138 -3.145 5.026 1.00 0.27 H new ATOM 0 HB2 PHE B 16 -9.159 -3.726 3.738 1.00 0.34 H new ATOM 0 HB3 PHE B 16 -9.441 -5.437 3.990 1.00 0.34 H new ATOM 0 HD1 PHE B 16 -11.244 -6.599 2.793 1.00 1.73 H new ATOM 0 HD2 PHE B 16 -10.495 -2.459 2.149 1.00 1.65 H new ATOM 0 HE1 PHE B 16 -12.619 -6.668 0.763 1.00 2.34 H new ATOM 0 HE2 PHE B 16 -11.874 -2.529 0.119 1.00 2.27 H new ATOM 0 HZ PHE B 16 -12.943 -4.629 -0.572 1.00 2.36 H new ATOM 1879 N HIS B 17 -11.673 -6.391 5.463 1.00 0.31 N ATOM 1880 CA HIS B 17 -12.770 -7.360 5.533 1.00 0.40 C ATOM 1881 C HIS B 17 -13.667 -7.106 6.743 1.00 0.36 C ATOM 1882 O HIS B 17 -14.776 -7.629 6.819 1.00 0.42 O ATOM 1883 CB HIS B 17 -12.259 -8.809 5.518 1.00 0.59 C ATOM 1884 CG HIS B 17 -11.565 -9.283 6.765 1.00 0.81 C ATOM 1885 ND1 HIS B 17 -12.193 -9.422 7.986 1.00 1.54 N ATOM 1886 CD2 HIS B 17 -10.290 -9.693 6.956 1.00 1.77 C ATOM 1887 CE1 HIS B 17 -11.333 -9.891 8.870 1.00 2.03 C ATOM 1888 NE2 HIS B 17 -10.171 -10.066 8.271 1.00 2.20 N ATOM 0 H HIS B 17 -10.739 -6.786 5.572 1.00 0.31 H new ATOM 0 HA HIS B 17 -13.373 -7.219 4.636 1.00 0.40 H new ATOM 0 HB2 HIS B 17 -13.105 -9.468 5.326 1.00 0.59 H new ATOM 0 HB3 HIS B 17 -11.571 -8.921 4.680 1.00 0.59 H new ATOM 0 HD2 HIS B 17 -9.509 -9.721 6.210 1.00 1.77 H new ATOM 0 HE1 HIS B 17 -11.545 -10.097 9.909 1.00 2.03 H new ATOM 0 HE2 HIS B 17 -9.323 -10.421 8.713 1.00 2.20 H new ATOM 1897 N LYS B 18 -13.181 -6.306 7.685 1.00 0.34 N ATOM 1898 CA LYS B 18 -13.997 -5.870 8.806 1.00 0.39 C ATOM 1899 C LYS B 18 -15.161 -5.029 8.302 1.00 0.37 C ATOM 1900 O LYS B 18 -16.320 -5.301 8.612 1.00 0.47 O ATOM 1901 CB LYS B 18 -13.159 -5.058 9.797 1.00 0.43 C ATOM 1902 CG LYS B 18 -13.982 -4.338 10.858 1.00 0.54 C ATOM 1903 CD LYS B 18 -13.093 -3.588 11.840 1.00 0.73 C ATOM 1904 CE LYS B 18 -12.297 -2.491 11.153 1.00 0.79 C ATOM 1905 NZ LYS B 18 -11.475 -1.701 12.108 1.00 1.28 N ATOM 0 H LYS B 18 -12.226 -5.948 7.693 1.00 0.34 H new ATOM 0 HA LYS B 18 -14.384 -6.751 9.318 1.00 0.39 H new ATOM 0 HB2 LYS B 18 -12.451 -5.724 10.291 1.00 0.43 H new ATOM 0 HB3 LYS B 18 -12.573 -4.323 9.245 1.00 0.43 H new ATOM 0 HG2 LYS B 18 -14.666 -3.638 10.377 1.00 0.54 H new ATOM 0 HG3 LYS B 18 -14.594 -5.061 11.398 1.00 0.54 H new ATOM 0 HD2 LYS B 18 -13.708 -3.153 12.628 1.00 0.73 H new ATOM 0 HD3 LYS B 18 -12.409 -4.288 12.320 1.00 0.73 H new ATOM 0 HE2 LYS B 18 -11.646 -2.936 10.400 1.00 0.79 H new ATOM 0 HE3 LYS B 18 -12.981 -1.824 10.629 1.00 0.79 H new ATOM 0 HZ1 LYS B 18 -11.100 -0.858 11.628 1.00 1.28 H new ATOM 0 HZ2 LYS B 18 -12.064 -1.408 12.914 1.00 1.28 H new ATOM 0 HZ3 LYS B 18 -10.685 -2.284 12.451 1.00 1.28 H new ATOM 1919 N TYR B 19 -14.845 -4.024 7.497 1.00 0.29 N ATOM 1920 CA TYR B 19 -15.867 -3.125 6.977 1.00 0.29 C ATOM 1921 C TYR B 19 -16.509 -3.648 5.703 1.00 0.33 C ATOM 1922 O TYR B 19 -17.597 -3.219 5.368 1.00 0.44 O ATOM 1923 CB TYR B 19 -15.300 -1.725 6.761 1.00 0.31 C ATOM 1924 CG TYR B 19 -15.438 -0.848 7.980 1.00 0.36 C ATOM 1925 CD1 TYR B 19 -14.496 -0.883 8.996 1.00 1.28 C ATOM 1926 CD2 TYR B 19 -16.528 -0.003 8.125 1.00 1.23 C ATOM 1927 CE1 TYR B 19 -14.637 -0.097 10.123 1.00 1.35 C ATOM 1928 CE2 TYR B 19 -16.678 0.779 9.250 1.00 1.26 C ATOM 1929 CZ TYR B 19 -15.730 0.728 10.245 1.00 0.62 C ATOM 1930 OH TYR B 19 -15.881 1.499 11.372 1.00 0.79 O ATOM 0 H TYR B 19 -13.896 -3.811 7.191 1.00 0.29 H new ATOM 0 HA TYR B 19 -16.653 -3.072 7.730 1.00 0.29 H new ATOM 0 HB2 TYR B 19 -14.247 -1.801 6.491 1.00 0.31 H new ATOM 0 HB3 TYR B 19 -15.812 -1.256 5.921 1.00 0.31 H new ATOM 0 HD1 TYR B 19 -13.639 -1.534 8.905 1.00 1.28 H new ATOM 0 HD2 TYR B 19 -17.272 0.043 7.343 1.00 1.23 H new ATOM 0 HE1 TYR B 19 -13.892 -0.130 10.905 1.00 1.35 H new ATOM 0 HE2 TYR B 19 -17.535 1.428 9.350 1.00 1.26 H new ATOM 0 HH TYR B 19 -14.999 1.728 11.733 1.00 0.79 H new ATOM 1940 N SER B 20 -15.835 -4.548 4.994 1.00 0.29 N ATOM 1941 CA SER B 20 -16.417 -5.190 3.817 1.00 0.32 C ATOM 1942 C SER B 20 -17.311 -6.347 4.235 1.00 0.40 C ATOM 1943 O SER B 20 -18.070 -6.884 3.443 1.00 0.60 O ATOM 1944 CB SER B 20 -15.305 -5.710 2.907 1.00 0.35 C ATOM 1945 OG SER B 20 -14.328 -4.713 2.713 1.00 0.86 O ATOM 0 H SER B 20 -14.886 -4.850 5.213 1.00 0.29 H new ATOM 0 HA SER B 20 -17.015 -4.455 3.279 1.00 0.32 H new ATOM 0 HB2 SER B 20 -14.848 -6.596 3.349 1.00 0.35 H new ATOM 0 HB3 SER B 20 -15.723 -6.012 1.946 1.00 0.35 H new ATOM 0 HG SER B 20 -13.450 -5.133 2.599 1.00 0.86 H new ATOM 1951 N GLY B 21 -17.209 -6.747 5.486 1.00 0.37 N ATOM 1952 CA GLY B 21 -17.993 -7.864 5.943 1.00 0.43 C ATOM 1953 C GLY B 21 -19.222 -7.447 6.713 1.00 0.41 C ATOM 1954 O GLY B 21 -19.656 -8.152 7.623 1.00 0.46 O ATOM 0 H GLY B 21 -16.603 -6.322 6.188 1.00 0.37 H new ATOM 0 HA2 GLY B 21 -18.295 -8.464 5.085 1.00 0.43 H new ATOM 0 HA3 GLY B 21 -17.374 -8.501 6.575 1.00 0.43 H new ATOM 1958 N LYS B 22 -19.789 -6.308 6.358 1.00 0.41 N ATOM 1959 CA LYS B 22 -20.971 -5.813 7.045 1.00 0.46 C ATOM 1960 C LYS B 22 -22.215 -5.931 6.162 1.00 0.52 C ATOM 1961 O LYS B 22 -23.296 -6.296 6.632 1.00 0.65 O ATOM 1962 CB LYS B 22 -20.767 -4.364 7.461 1.00 0.47 C ATOM 1963 CG LYS B 22 -19.466 -4.108 8.198 1.00 0.60 C ATOM 1964 CD LYS B 22 -19.346 -2.661 8.663 1.00 0.57 C ATOM 1965 CE LYS B 22 -19.533 -1.659 7.526 1.00 0.49 C ATOM 1966 NZ LYS B 22 -20.965 -1.353 7.270 1.00 1.08 N ATOM 0 H LYS B 22 -19.453 -5.710 5.603 1.00 0.41 H new ATOM 0 HA LYS B 22 -21.124 -6.425 7.934 1.00 0.46 H new ATOM 0 HB2 LYS B 22 -20.798 -3.734 6.572 1.00 0.47 H new ATOM 0 HB3 LYS B 22 -21.598 -4.059 8.097 1.00 0.47 H new ATOM 0 HG2 LYS B 22 -19.401 -4.772 9.060 1.00 0.60 H new ATOM 0 HG3 LYS B 22 -18.627 -4.350 7.546 1.00 0.60 H new ATOM 0 HD2 LYS B 22 -20.090 -2.469 9.437 1.00 0.57 H new ATOM 0 HD3 LYS B 22 -18.367 -2.510 9.118 1.00 0.57 H new ATOM 0 HE2 LYS B 22 -19.005 -0.737 7.768 1.00 0.49 H new ATOM 0 HE3 LYS B 22 -19.081 -2.056 6.617 1.00 0.49 H new ATOM 0 HZ1 LYS B 22 -21.069 -0.344 7.039 1.00 1.08 H new ATOM 0 HZ2 LYS B 22 -21.306 -1.927 6.473 1.00 1.08 H new ATOM 0 HZ3 LYS B 22 -21.524 -1.573 8.119 1.00 1.08 H new ATOM 1980 N GLU B 23 -22.050 -5.620 4.885 1.00 0.47 N ATOM 1981 CA GLU B 23 -23.145 -5.612 3.927 1.00 0.54 C ATOM 1982 C GLU B 23 -22.624 -6.003 2.546 1.00 0.58 C ATOM 1983 O GLU B 23 -21.465 -5.766 2.234 1.00 0.64 O ATOM 1984 CB GLU B 23 -23.765 -4.210 3.880 1.00 0.67 C ATOM 1985 CG GLU B 23 -24.943 -4.076 2.931 1.00 1.15 C ATOM 1986 CD GLU B 23 -26.109 -4.954 3.326 1.00 1.60 C ATOM 1987 OE1 GLU B 23 -26.954 -4.498 4.126 1.00 2.38 O ATOM 1988 OE2 GLU B 23 -26.184 -6.098 2.834 1.00 1.96 O ATOM 0 H GLU B 23 -21.148 -5.365 4.482 1.00 0.47 H new ATOM 0 HA GLU B 23 -23.905 -6.331 4.232 1.00 0.54 H new ATOM 0 HB2 GLU B 23 -24.090 -3.936 4.884 1.00 0.67 H new ATOM 0 HB3 GLU B 23 -22.996 -3.495 3.588 1.00 0.67 H new ATOM 0 HG2 GLU B 23 -25.268 -3.036 2.906 1.00 1.15 H new ATOM 0 HG3 GLU B 23 -24.623 -4.335 1.922 1.00 1.15 H new ATOM 1995 N GLY B 24 -23.464 -6.621 1.733 1.00 0.72 N ATOM 1996 CA GLY B 24 -23.067 -6.946 0.374 1.00 0.85 C ATOM 1997 C GLY B 24 -22.095 -8.111 0.293 1.00 0.79 C ATOM 1998 O GLY B 24 -22.490 -9.267 0.453 1.00 0.92 O ATOM 0 H GLY B 24 -24.411 -6.904 1.985 1.00 0.72 H new ATOM 0 HA2 GLY B 24 -23.956 -7.183 -0.210 1.00 0.85 H new ATOM 0 HA3 GLY B 24 -22.610 -6.068 -0.083 1.00 0.85 H new ATOM 2002 N ASP B 25 -20.819 -7.811 0.063 1.00 0.71 N ATOM 2003 CA ASP B 25 -19.816 -8.847 -0.170 1.00 0.70 C ATOM 2004 C ASP B 25 -18.612 -8.660 0.744 1.00 0.73 C ATOM 2005 O ASP B 25 -18.139 -7.552 0.929 1.00 1.34 O ATOM 2006 CB ASP B 25 -19.365 -8.820 -1.630 1.00 0.72 C ATOM 2007 CG ASP B 25 -18.441 -9.968 -1.973 1.00 1.04 C ATOM 2008 OD1 ASP B 25 -18.933 -11.109 -2.102 1.00 1.64 O ATOM 2009 OD2 ASP B 25 -17.227 -9.738 -2.115 1.00 1.75 O ATOM 0 H ASP B 25 -20.455 -6.859 0.033 1.00 0.71 H new ATOM 0 HA ASP B 25 -20.269 -9.813 0.052 1.00 0.70 H new ATOM 0 HB2 ASP B 25 -20.241 -8.857 -2.278 1.00 0.72 H new ATOM 0 HB3 ASP B 25 -18.858 -7.877 -1.833 1.00 0.72 H new ATOM 2014 N LYS B 26 -18.081 -9.765 1.252 1.00 0.61 N ATOM 2015 CA LYS B 26 -17.035 -9.742 2.278 1.00 0.56 C ATOM 2016 C LYS B 26 -15.667 -9.508 1.668 1.00 0.49 C ATOM 2017 O LYS B 26 -14.640 -9.643 2.337 1.00 0.55 O ATOM 2018 CB LYS B 26 -17.013 -11.061 3.045 1.00 0.71 C ATOM 2019 CG LYS B 26 -18.016 -11.136 4.174 1.00 1.03 C ATOM 2020 CD LYS B 26 -17.348 -10.855 5.512 1.00 0.70 C ATOM 2021 CE LYS B 26 -16.444 -11.999 5.945 1.00 0.94 C ATOM 2022 NZ LYS B 26 -15.856 -11.769 7.293 1.00 1.56 N ATOM 0 H LYS B 26 -18.360 -10.704 0.968 1.00 0.61 H new ATOM 0 HA LYS B 26 -17.265 -8.921 2.957 1.00 0.56 H new ATOM 0 HB2 LYS B 26 -17.205 -11.877 2.348 1.00 0.71 H new ATOM 0 HB3 LYS B 26 -16.013 -11.216 3.451 1.00 0.71 H new ATOM 0 HG2 LYS B 26 -18.816 -10.415 4.004 1.00 1.03 H new ATOM 0 HG3 LYS B 26 -18.476 -12.124 4.193 1.00 1.03 H new ATOM 0 HD2 LYS B 26 -16.764 -9.938 5.441 1.00 0.70 H new ATOM 0 HD3 LYS B 26 -18.112 -10.688 6.271 1.00 0.70 H new ATOM 0 HE2 LYS B 26 -17.014 -12.928 5.952 1.00 0.94 H new ATOM 0 HE3 LYS B 26 -15.643 -12.123 5.217 1.00 0.94 H new ATOM 0 HZ1 LYS B 26 -15.247 -12.573 7.548 1.00 1.56 H new ATOM 0 HZ2 LYS B 26 -15.290 -10.896 7.281 1.00 1.56 H new ATOM 0 HZ3 LYS B 26 -16.619 -11.677 7.994 1.00 1.56 H new ATOM 2036 N PHE B 27 -15.661 -9.177 0.399 1.00 0.45 N ATOM 2037 CA PHE B 27 -14.431 -8.957 -0.322 1.00 0.43 C ATOM 2038 C PHE B 27 -14.503 -7.628 -1.035 1.00 0.39 C ATOM 2039 O PHE B 27 -13.541 -7.208 -1.683 1.00 0.40 O ATOM 2040 CB PHE B 27 -14.182 -10.084 -1.333 1.00 0.49 C ATOM 2041 CG PHE B 27 -14.160 -11.459 -0.724 1.00 0.77 C ATOM 2042 CD1 PHE B 27 -12.993 -11.977 -0.186 1.00 1.28 C ATOM 2043 CD2 PHE B 27 -15.310 -12.231 -0.688 1.00 1.76 C ATOM 2044 CE1 PHE B 27 -12.975 -13.238 0.378 1.00 1.59 C ATOM 2045 CE2 PHE B 27 -15.296 -13.491 -0.125 1.00 2.08 C ATOM 2046 CZ PHE B 27 -14.128 -13.996 0.409 1.00 1.65 C ATOM 0 H PHE B 27 -16.505 -9.053 -0.161 1.00 0.45 H new ATOM 0 HA PHE B 27 -13.603 -8.949 0.387 1.00 0.43 H new ATOM 0 HB2 PHE B 27 -14.957 -10.049 -2.098 1.00 0.49 H new ATOM 0 HB3 PHE B 27 -13.231 -9.905 -1.834 1.00 0.49 H new ATOM 0 HD1 PHE B 27 -12.088 -11.389 -0.208 1.00 1.28 H new ATOM 0 HD2 PHE B 27 -16.227 -11.843 -1.105 1.00 1.76 H new ATOM 0 HE1 PHE B 27 -12.059 -13.630 0.794 1.00 1.59 H new ATOM 0 HE2 PHE B 27 -16.200 -14.082 -0.102 1.00 2.08 H new ATOM 0 HZ PHE B 27 -14.116 -14.982 0.850 1.00 1.65 H new ATOM 2056 N LYS B 28 -15.646 -6.958 -0.902 1.00 0.38 N ATOM 2057 CA LYS B 28 -15.861 -5.704 -1.587 1.00 0.36 C ATOM 2058 C LYS B 28 -16.701 -4.741 -0.776 1.00 0.34 C ATOM 2059 O LYS B 28 -17.747 -5.096 -0.244 1.00 0.37 O ATOM 2060 CB LYS B 28 -16.515 -5.908 -2.950 1.00 0.40 C ATOM 2061 CG LYS B 28 -15.639 -6.615 -3.959 1.00 0.49 C ATOM 2062 CD LYS B 28 -15.832 -6.025 -5.346 1.00 0.56 C ATOM 2063 CE LYS B 28 -14.779 -6.516 -6.321 1.00 0.86 C ATOM 2064 NZ LYS B 28 -14.386 -5.460 -7.300 1.00 1.70 N ATOM 0 H LYS B 28 -16.429 -7.268 -0.327 1.00 0.38 H new ATOM 0 HA LYS B 28 -14.870 -5.271 -1.725 1.00 0.36 H new ATOM 0 HB2 LYS B 28 -17.433 -6.481 -2.818 1.00 0.40 H new ATOM 0 HB3 LYS B 28 -16.801 -4.936 -3.352 1.00 0.40 H new ATOM 0 HG2 LYS B 28 -14.593 -6.528 -3.664 1.00 0.49 H new ATOM 0 HG3 LYS B 28 -15.879 -7.678 -3.974 1.00 0.49 H new ATOM 0 HD2 LYS B 28 -16.822 -6.288 -5.718 1.00 0.56 H new ATOM 0 HD3 LYS B 28 -15.793 -4.937 -5.287 1.00 0.56 H new ATOM 0 HE2 LYS B 28 -13.898 -6.844 -5.769 1.00 0.86 H new ATOM 0 HE3 LYS B 28 -15.160 -7.385 -6.858 1.00 0.86 H new ATOM 0 HZ1 LYS B 28 -13.854 -5.892 -8.082 1.00 1.70 H new ATOM 0 HZ2 LYS B 28 -15.240 -4.999 -7.675 1.00 1.70 H new ATOM 0 HZ3 LYS B 28 -13.790 -4.752 -6.826 1.00 1.70 H new ATOM 2078 N LEU B 29 -16.241 -3.508 -0.730 1.00 0.31 N ATOM 2079 CA LEU B 29 -16.949 -2.447 -0.051 1.00 0.28 C ATOM 2080 C LEU B 29 -17.902 -1.751 -0.998 1.00 0.30 C ATOM 2081 O LEU B 29 -17.483 -1.014 -1.896 1.00 0.33 O ATOM 2082 CB LEU B 29 -15.972 -1.413 0.494 1.00 0.26 C ATOM 2083 CG LEU B 29 -14.993 -1.918 1.528 1.00 0.26 C ATOM 2084 CD1 LEU B 29 -13.760 -1.048 1.521 1.00 0.28 C ATOM 2085 CD2 LEU B 29 -15.637 -1.901 2.899 1.00 0.25 C ATOM 0 H LEU B 29 -15.365 -3.215 -1.163 1.00 0.31 H new ATOM 0 HA LEU B 29 -17.507 -2.897 0.770 1.00 0.28 H new ATOM 0 HB2 LEU B 29 -15.408 -0.997 -0.341 1.00 0.26 H new ATOM 0 HB3 LEU B 29 -16.544 -0.595 0.931 1.00 0.26 H new ATOM 0 HG LEU B 29 -14.708 -2.942 1.288 1.00 0.26 H new ATOM 0 HD11 LEU B 29 -13.054 -1.412 2.267 1.00 0.28 H new ATOM 0 HD12 LEU B 29 -13.296 -1.082 0.535 1.00 0.28 H new ATOM 0 HD13 LEU B 29 -14.038 -0.021 1.756 1.00 0.28 H new ATOM 0 HD21 LEU B 29 -14.926 -2.266 3.640 1.00 0.25 H new ATOM 0 HD22 LEU B 29 -15.931 -0.882 3.150 1.00 0.25 H new ATOM 0 HD23 LEU B 29 -16.518 -2.542 2.895 1.00 0.25 H new ATOM 2097 N ASN B 30 -19.175 -1.980 -0.782 1.00 0.31 N ATOM 2098 CA ASN B 30 -20.221 -1.236 -1.454 1.00 0.35 C ATOM 2099 C ASN B 30 -20.224 0.166 -0.889 1.00 0.32 C ATOM 2100 O ASN B 30 -19.626 0.389 0.159 1.00 0.30 O ATOM 2101 CB ASN B 30 -21.562 -1.936 -1.240 1.00 0.41 C ATOM 2102 CG ASN B 30 -21.773 -2.329 0.208 1.00 0.43 C ATOM 2103 OD1 ASN B 30 -22.471 -1.643 0.958 1.00 0.55 O ATOM 2104 ND2 ASN B 30 -21.128 -3.412 0.619 1.00 0.42 N ATOM 0 H ASN B 30 -19.519 -2.689 -0.134 1.00 0.31 H new ATOM 0 HA ASN B 30 -20.047 -1.187 -2.529 1.00 0.35 H new ATOM 0 HB2 ASN B 30 -22.370 -1.277 -1.558 1.00 0.41 H new ATOM 0 HB3 ASN B 30 -21.611 -2.826 -1.868 1.00 0.41 H new ATOM 0 HD21 ASN B 30 -21.198 -3.709 1.592 1.00 0.42 H new ATOM 0 HD22 ASN B 30 -20.562 -3.949 -0.038 1.00 0.42 H new ATOM 2111 N LYS B 31 -20.873 1.108 -1.565 1.00 0.35 N ATOM 2112 CA LYS B 31 -20.760 2.514 -1.183 1.00 0.34 C ATOM 2113 C LYS B 31 -21.021 2.711 0.306 1.00 0.31 C ATOM 2114 O LYS B 31 -20.330 3.485 0.956 1.00 0.30 O ATOM 2115 CB LYS B 31 -21.723 3.406 -1.964 1.00 0.41 C ATOM 2116 CG LYS B 31 -21.508 3.404 -3.468 1.00 0.68 C ATOM 2117 CD LYS B 31 -22.146 4.626 -4.109 1.00 0.71 C ATOM 2118 CE LYS B 31 -22.310 4.457 -5.609 1.00 1.15 C ATOM 2119 NZ LYS B 31 -23.451 3.566 -5.940 1.00 1.99 N ATOM 0 H LYS B 31 -21.475 0.929 -2.369 1.00 0.35 H new ATOM 0 HA LYS B 31 -19.736 2.804 -1.421 1.00 0.34 H new ATOM 0 HB2 LYS B 31 -22.744 3.086 -1.756 1.00 0.41 H new ATOM 0 HB3 LYS B 31 -21.628 4.428 -1.598 1.00 0.41 H new ATOM 0 HG2 LYS B 31 -20.440 3.389 -3.687 1.00 0.68 H new ATOM 0 HG3 LYS B 31 -21.934 2.498 -3.899 1.00 0.68 H new ATOM 0 HD2 LYS B 31 -23.120 4.807 -3.655 1.00 0.71 H new ATOM 0 HD3 LYS B 31 -21.532 5.504 -3.907 1.00 0.71 H new ATOM 0 HE2 LYS B 31 -22.464 5.432 -6.070 1.00 1.15 H new ATOM 0 HE3 LYS B 31 -21.393 4.046 -6.031 1.00 1.15 H new ATOM 0 HZ1 LYS B 31 -23.272 3.097 -6.851 1.00 1.99 H new ATOM 0 HZ2 LYS B 31 -23.558 2.848 -5.195 1.00 1.99 H new ATOM 0 HZ3 LYS B 31 -24.323 4.129 -6.006 1.00 1.99 H new ATOM 2133 N SER B 32 -22.004 1.994 0.838 1.00 0.34 N ATOM 2134 CA SER B 32 -22.353 2.101 2.248 1.00 0.37 C ATOM 2135 C SER B 32 -21.133 1.790 3.117 1.00 0.34 C ATOM 2136 O SER B 32 -20.714 2.612 3.936 1.00 0.37 O ATOM 2137 CB SER B 32 -23.509 1.151 2.581 1.00 0.45 C ATOM 2138 OG SER B 32 -24.005 1.379 3.889 1.00 1.33 O ATOM 0 H SER B 32 -22.574 1.331 0.312 1.00 0.34 H new ATOM 0 HA SER B 32 -22.675 3.121 2.456 1.00 0.37 H new ATOM 0 HB2 SER B 32 -24.313 1.285 1.857 1.00 0.45 H new ATOM 0 HB3 SER B 32 -23.170 0.119 2.493 1.00 0.45 H new ATOM 0 HG SER B 32 -24.742 0.760 4.072 1.00 1.33 H new ATOM 2144 N GLU B 33 -20.548 0.617 2.900 1.00 0.32 N ATOM 2145 CA GLU B 33 -19.369 0.194 3.640 1.00 0.34 C ATOM 2146 C GLU B 33 -18.173 1.075 3.305 1.00 0.30 C ATOM 2147 O GLU B 33 -17.400 1.451 4.189 1.00 0.32 O ATOM 2148 CB GLU B 33 -19.037 -1.250 3.302 1.00 0.44 C ATOM 2149 CG GLU B 33 -20.123 -2.234 3.676 1.00 0.59 C ATOM 2150 CD GLU B 33 -19.672 -3.657 3.466 1.00 1.49 C ATOM 2151 OE1 GLU B 33 -19.162 -3.958 2.376 1.00 2.15 O ATOM 2152 OE2 GLU B 33 -19.823 -4.471 4.396 1.00 2.32 O ATOM 0 H GLU B 33 -20.876 -0.061 2.212 1.00 0.32 H new ATOM 0 HA GLU B 33 -19.586 0.284 4.704 1.00 0.34 H new ATOM 0 HB2 GLU B 33 -18.844 -1.327 2.232 1.00 0.44 H new ATOM 0 HB3 GLU B 33 -18.116 -1.530 3.813 1.00 0.44 H new ATOM 0 HG2 GLU B 33 -20.403 -2.090 4.719 1.00 0.59 H new ATOM 0 HG3 GLU B 33 -21.013 -2.041 3.077 1.00 0.59 H new ATOM 2159 N LEU B 34 -18.031 1.385 2.020 1.00 0.30 N ATOM 2160 CA LEU B 34 -16.969 2.245 1.525 1.00 0.33 C ATOM 2161 C LEU B 34 -16.926 3.541 2.317 1.00 0.29 C ATOM 2162 O LEU B 34 -15.896 3.908 2.868 1.00 0.30 O ATOM 2163 CB LEU B 34 -17.213 2.551 0.043 1.00 0.50 C ATOM 2164 CG LEU B 34 -16.100 3.318 -0.663 1.00 0.50 C ATOM 2165 CD1 LEU B 34 -14.870 2.442 -0.789 1.00 1.01 C ATOM 2166 CD2 LEU B 34 -16.568 3.801 -2.029 1.00 0.54 C ATOM 0 H LEU B 34 -18.656 1.042 1.290 1.00 0.30 H new ATOM 0 HA LEU B 34 -16.013 1.734 1.642 1.00 0.33 H new ATOM 0 HB2 LEU B 34 -17.371 1.609 -0.483 1.00 0.50 H new ATOM 0 HB3 LEU B 34 -18.136 3.124 -0.044 1.00 0.50 H new ATOM 0 HG LEU B 34 -15.841 4.195 -0.069 1.00 0.50 H new ATOM 0 HD11 LEU B 34 -14.079 2.996 -1.294 1.00 1.01 H new ATOM 0 HD12 LEU B 34 -14.530 2.148 0.204 1.00 1.01 H new ATOM 0 HD13 LEU B 34 -15.115 1.551 -1.367 1.00 1.01 H new ATOM 0 HD21 LEU B 34 -15.761 4.346 -2.518 1.00 0.54 H new ATOM 0 HD22 LEU B 34 -16.850 2.944 -2.641 1.00 0.54 H new ATOM 0 HD23 LEU B 34 -17.428 4.459 -1.907 1.00 0.54 H new ATOM 2178 N LYS B 35 -18.068 4.204 2.385 1.00 0.28 N ATOM 2179 CA LYS B 35 -18.194 5.470 3.090 1.00 0.29 C ATOM 2180 C LYS B 35 -17.776 5.351 4.537 1.00 0.29 C ATOM 2181 O LYS B 35 -17.011 6.174 5.042 1.00 0.31 O ATOM 2182 CB LYS B 35 -19.629 5.966 3.011 1.00 0.32 C ATOM 2183 CG LYS B 35 -20.020 6.348 1.605 1.00 0.39 C ATOM 2184 CD LYS B 35 -21.524 6.455 1.402 1.00 0.51 C ATOM 2185 CE LYS B 35 -22.070 7.803 1.830 1.00 0.70 C ATOM 2186 NZ LYS B 35 -22.256 7.899 3.301 1.00 1.29 N ATOM 0 H LYS B 35 -18.934 3.881 1.954 1.00 0.28 H new ATOM 0 HA LYS B 35 -17.528 6.185 2.607 1.00 0.29 H new ATOM 0 HB2 LYS B 35 -20.301 5.189 3.376 1.00 0.32 H new ATOM 0 HB3 LYS B 35 -19.751 6.827 3.668 1.00 0.32 H new ATOM 0 HG2 LYS B 35 -19.559 7.303 1.355 1.00 0.39 H new ATOM 0 HG3 LYS B 35 -19.619 5.609 0.911 1.00 0.39 H new ATOM 0 HD2 LYS B 35 -21.759 6.288 0.351 1.00 0.51 H new ATOM 0 HD3 LYS B 35 -22.021 5.668 1.969 1.00 0.51 H new ATOM 0 HE2 LYS B 35 -21.390 8.588 1.501 1.00 0.70 H new ATOM 0 HE3 LYS B 35 -23.024 7.979 1.334 1.00 0.70 H new ATOM 0 HZ1 LYS B 35 -23.044 8.545 3.510 1.00 1.29 H new ATOM 0 HZ2 LYS B 35 -22.470 6.957 3.686 1.00 1.29 H new ATOM 0 HZ3 LYS B 35 -21.385 8.262 3.738 1.00 1.29 H new ATOM 2200 N GLU B 36 -18.266 4.324 5.203 1.00 0.29 N ATOM 2201 CA GLU B 36 -18.000 4.167 6.615 1.00 0.32 C ATOM 2202 C GLU B 36 -16.531 3.889 6.852 1.00 0.31 C ATOM 2203 O GLU B 36 -15.918 4.465 7.741 1.00 0.39 O ATOM 2204 CB GLU B 36 -18.841 3.047 7.203 1.00 0.36 C ATOM 2205 CG GLU B 36 -20.315 3.257 6.970 1.00 0.37 C ATOM 2206 CD GLU B 36 -21.163 2.147 7.553 1.00 0.51 C ATOM 2207 OE1 GLU B 36 -21.525 2.236 8.748 1.00 1.14 O ATOM 2208 OE2 GLU B 36 -21.469 1.180 6.827 1.00 1.31 O ATOM 0 H GLU B 36 -18.846 3.592 4.791 1.00 0.29 H new ATOM 0 HA GLU B 36 -18.267 5.099 7.112 1.00 0.32 H new ATOM 0 HB2 GLU B 36 -18.537 2.098 6.762 1.00 0.36 H new ATOM 0 HB3 GLU B 36 -18.651 2.977 8.274 1.00 0.36 H new ATOM 0 HG2 GLU B 36 -20.616 4.208 7.410 1.00 0.37 H new ATOM 0 HG3 GLU B 36 -20.503 3.328 5.899 1.00 0.37 H new ATOM 2215 N LEU B 37 -15.974 3.005 6.049 1.00 0.27 N ATOM 2216 CA LEU B 37 -14.568 2.681 6.144 1.00 0.26 C ATOM 2217 C LEU B 37 -13.722 3.916 5.850 1.00 0.27 C ATOM 2218 O LEU B 37 -12.790 4.214 6.572 1.00 0.31 O ATOM 2219 CB LEU B 37 -14.233 1.556 5.168 1.00 0.24 C ATOM 2220 CG LEU B 37 -12.939 0.796 5.453 1.00 0.31 C ATOM 2221 CD1 LEU B 37 -12.944 -0.530 4.723 1.00 0.29 C ATOM 2222 CD2 LEU B 37 -11.743 1.612 5.014 1.00 0.50 C ATOM 0 H LEU B 37 -16.477 2.497 5.321 1.00 0.27 H new ATOM 0 HA LEU B 37 -14.344 2.346 7.157 1.00 0.26 H new ATOM 0 HB2 LEU B 37 -15.058 0.844 5.166 1.00 0.24 H new ATOM 0 HB3 LEU B 37 -14.172 1.977 4.164 1.00 0.24 H new ATOM 0 HG LEU B 37 -12.872 0.616 6.526 1.00 0.31 H new ATOM 0 HD11 LEU B 37 -12.017 -1.064 4.933 1.00 0.29 H new ATOM 0 HD12 LEU B 37 -13.791 -1.127 5.060 1.00 0.29 H new ATOM 0 HD13 LEU B 37 -13.027 -0.355 3.650 1.00 0.29 H new ATOM 0 HD21 LEU B 37 -10.828 1.058 5.223 1.00 0.50 H new ATOM 0 HD22 LEU B 37 -11.811 1.810 3.944 1.00 0.50 H new ATOM 0 HD23 LEU B 37 -11.728 2.557 5.558 1.00 0.50 H new ATOM 2234 N LEU B 38 -14.049 4.628 4.789 1.00 0.27 N ATOM 2235 CA LEU B 38 -13.335 5.853 4.450 1.00 0.29 C ATOM 2236 C LEU B 38 -13.354 6.842 5.610 1.00 0.30 C ATOM 2237 O LEU B 38 -12.320 7.281 6.082 1.00 0.40 O ATOM 2238 CB LEU B 38 -13.968 6.511 3.231 1.00 0.31 C ATOM 2239 CG LEU B 38 -13.243 6.314 1.902 1.00 0.34 C ATOM 2240 CD1 LEU B 38 -11.767 6.634 2.045 1.00 0.31 C ATOM 2241 CD2 LEU B 38 -13.446 4.905 1.381 1.00 0.43 C ATOM 0 H LEU B 38 -14.802 4.384 4.146 1.00 0.27 H new ATOM 0 HA LEU B 38 -12.302 5.582 4.233 1.00 0.29 H new ATOM 0 HB2 LEU B 38 -14.984 6.130 3.126 1.00 0.31 H new ATOM 0 HB3 LEU B 38 -14.047 7.581 3.422 1.00 0.31 H new ATOM 0 HG LEU B 38 -13.670 7.005 1.174 1.00 0.34 H new ATOM 0 HD11 LEU B 38 -11.268 6.487 1.087 1.00 0.31 H new ATOM 0 HD12 LEU B 38 -11.648 7.670 2.361 1.00 0.31 H new ATOM 0 HD13 LEU B 38 -11.322 5.974 2.790 1.00 0.31 H new ATOM 0 HD21 LEU B 38 -12.920 4.788 0.433 1.00 0.43 H new ATOM 0 HD22 LEU B 38 -13.054 4.190 2.104 1.00 0.43 H new ATOM 0 HD23 LEU B 38 -14.510 4.722 1.231 1.00 0.43 H new ATOM 2253 N THR B 39 -14.543 7.190 6.052 1.00 0.31 N ATOM 2254 CA THR B 39 -14.716 8.143 7.140 1.00 0.33 C ATOM 2255 C THR B 39 -14.040 7.697 8.443 1.00 0.34 C ATOM 2256 O THR B 39 -13.404 8.495 9.131 1.00 0.38 O ATOM 2257 CB THR B 39 -16.209 8.368 7.408 1.00 0.33 C ATOM 2258 OG1 THR B 39 -16.855 7.115 7.656 1.00 0.32 O ATOM 2259 CG2 THR B 39 -16.874 9.039 6.219 1.00 0.34 C ATOM 0 H THR B 39 -15.417 6.825 5.673 1.00 0.31 H new ATOM 0 HA THR B 39 -14.236 9.068 6.819 1.00 0.33 H new ATOM 0 HB THR B 39 -16.303 9.014 8.281 1.00 0.33 H new ATOM 0 HG1 THR B 39 -17.004 6.650 6.806 1.00 0.32 H new ATOM 0 HG21 THR B 39 -17.933 9.189 6.431 1.00 0.34 H new ATOM 0 HG22 THR B 39 -16.401 10.003 6.034 1.00 0.34 H new ATOM 0 HG23 THR B 39 -16.766 8.407 5.337 1.00 0.34 H new ATOM 2267 N ARG B 40 -14.187 6.425 8.765 1.00 0.34 N ATOM 2268 CA ARG B 40 -13.742 5.882 10.048 1.00 0.36 C ATOM 2269 C ARG B 40 -12.303 5.398 10.012 1.00 0.40 C ATOM 2270 O ARG B 40 -11.533 5.651 10.939 1.00 0.48 O ATOM 2271 CB ARG B 40 -14.699 4.761 10.448 1.00 0.37 C ATOM 2272 CG ARG B 40 -16.005 5.298 11.005 1.00 0.63 C ATOM 2273 CD ARG B 40 -17.089 4.242 11.017 1.00 0.56 C ATOM 2274 NE ARG B 40 -18.412 4.827 11.211 1.00 1.16 N ATOM 2275 CZ ARG B 40 -19.546 4.232 10.853 1.00 1.51 C ATOM 2276 NH1 ARG B 40 -19.531 2.984 10.404 1.00 1.62 N ATOM 2277 NH2 ARG B 40 -20.699 4.877 10.966 1.00 2.31 N ATOM 0 H ARG B 40 -14.617 5.735 8.149 1.00 0.34 H new ATOM 0 HA ARG B 40 -13.761 6.677 10.794 1.00 0.36 H new ATOM 0 HB2 ARG B 40 -14.906 4.134 9.580 1.00 0.37 H new ATOM 0 HB3 ARG B 40 -14.221 4.126 11.194 1.00 0.37 H new ATOM 0 HG2 ARG B 40 -15.844 5.665 12.019 1.00 0.63 H new ATOM 0 HG3 ARG B 40 -16.333 6.148 10.407 1.00 0.63 H new ATOM 0 HD2 ARG B 40 -17.070 3.690 10.077 1.00 0.56 H new ATOM 0 HD3 ARG B 40 -16.889 3.524 11.812 1.00 0.56 H new ATOM 0 HE ARG B 40 -18.470 5.747 11.647 1.00 1.16 H new ATOM 0 HH11 ARG B 40 -18.648 2.478 10.333 1.00 1.62 H new ATOM 0 HH12 ARG B 40 -20.402 2.530 10.130 1.00 1.62 H new ATOM 0 HH21 ARG B 40 -20.717 5.831 11.328 1.00 2.31 H new ATOM 0 HH22 ARG B 40 -21.568 4.420 10.691 1.00 2.31 H new ATOM 2291 N GLU B 41 -11.936 4.732 8.940 1.00 0.40 N ATOM 2292 CA GLU B 41 -10.624 4.136 8.822 1.00 0.46 C ATOM 2293 C GLU B 41 -9.702 5.026 7.988 1.00 0.54 C ATOM 2294 O GLU B 41 -8.516 4.763 7.852 1.00 0.85 O ATOM 2295 CB GLU B 41 -10.756 2.756 8.184 1.00 0.52 C ATOM 2296 CG GLU B 41 -11.831 1.874 8.818 1.00 0.53 C ATOM 2297 CD GLU B 41 -11.647 1.650 10.313 1.00 0.51 C ATOM 2298 OE1 GLU B 41 -12.150 2.465 11.111 1.00 1.30 O ATOM 2299 OE2 GLU B 41 -11.023 0.642 10.702 1.00 1.02 O ATOM 0 H GLU B 41 -12.536 4.589 8.128 1.00 0.40 H new ATOM 0 HA GLU B 41 -10.184 4.035 9.814 1.00 0.46 H new ATOM 0 HB2 GLU B 41 -10.980 2.878 7.124 1.00 0.52 H new ATOM 0 HB3 GLU B 41 -9.796 2.244 8.250 1.00 0.52 H new ATOM 0 HG2 GLU B 41 -12.807 2.329 8.647 1.00 0.53 H new ATOM 0 HG3 GLU B 41 -11.837 0.907 8.314 1.00 0.53 H new ATOM 2306 N LEU B 42 -10.241 6.076 7.411 1.00 0.40 N ATOM 2307 CA LEU B 42 -9.404 7.062 6.742 1.00 0.41 C ATOM 2308 C LEU B 42 -9.814 8.500 7.094 1.00 0.37 C ATOM 2309 O LEU B 42 -10.029 9.330 6.205 1.00 0.35 O ATOM 2310 CB LEU B 42 -9.435 6.806 5.235 1.00 0.44 C ATOM 2311 CG LEU B 42 -8.523 5.661 4.800 1.00 0.50 C ATOM 2312 CD1 LEU B 42 -9.005 5.009 3.527 1.00 0.65 C ATOM 2313 CD2 LEU B 42 -7.125 6.182 4.599 1.00 0.74 C ATOM 0 H LEU B 42 -11.241 6.273 7.388 1.00 0.40 H new ATOM 0 HA LEU B 42 -8.379 6.953 7.095 1.00 0.41 H new ATOM 0 HB2 LEU B 42 -10.458 6.582 4.932 1.00 0.44 H new ATOM 0 HB3 LEU B 42 -9.140 7.716 4.712 1.00 0.44 H new ATOM 0 HG LEU B 42 -8.537 4.907 5.587 1.00 0.50 H new ATOM 0 HD11 LEU B 42 -8.328 4.200 3.253 1.00 0.65 H new ATOM 0 HD12 LEU B 42 -10.007 4.607 3.681 1.00 0.65 H new ATOM 0 HD13 LEU B 42 -9.029 5.748 2.726 1.00 0.65 H new ATOM 0 HD21 LEU B 42 -6.473 5.365 4.289 1.00 0.74 H new ATOM 0 HD22 LEU B 42 -7.131 6.954 3.829 1.00 0.74 H new ATOM 0 HD23 LEU B 42 -6.756 6.605 5.534 1.00 0.74 H new ATOM 2325 N PRO B 43 -9.891 8.818 8.411 1.00 0.40 N ATOM 2326 CA PRO B 43 -10.281 10.146 8.904 1.00 0.43 C ATOM 2327 C PRO B 43 -9.462 11.278 8.326 1.00 0.45 C ATOM 2328 O PRO B 43 -9.965 12.371 8.122 1.00 0.49 O ATOM 2329 CB PRO B 43 -9.995 10.074 10.393 1.00 0.50 C ATOM 2330 CG PRO B 43 -10.123 8.641 10.736 1.00 0.48 C ATOM 2331 CD PRO B 43 -9.640 7.889 9.533 1.00 0.44 C ATOM 0 HA PRO B 43 -11.315 10.356 8.631 1.00 0.43 H new ATOM 0 HB2 PRO B 43 -8.997 10.447 10.622 1.00 0.50 H new ATOM 0 HB3 PRO B 43 -10.701 10.681 10.961 1.00 0.50 H new ATOM 0 HG2 PRO B 43 -9.528 8.395 11.616 1.00 0.48 H new ATOM 0 HG3 PRO B 43 -11.157 8.385 10.968 1.00 0.48 H new ATOM 0 HD2 PRO B 43 -8.582 7.639 9.616 1.00 0.44 H new ATOM 0 HD3 PRO B 43 -10.180 6.951 9.404 1.00 0.44 H new ATOM 2339 N SER B 44 -8.188 11.030 8.119 1.00 0.45 N ATOM 2340 CA SER B 44 -7.311 12.033 7.560 1.00 0.47 C ATOM 2341 C SER B 44 -7.635 12.246 6.089 1.00 0.44 C ATOM 2342 O SER B 44 -7.964 13.364 5.658 1.00 0.45 O ATOM 2343 CB SER B 44 -5.865 11.590 7.740 1.00 0.51 C ATOM 2344 OG SER B 44 -4.955 12.470 7.111 1.00 0.59 O ATOM 0 H SER B 44 -7.736 10.140 8.330 1.00 0.45 H new ATOM 0 HA SER B 44 -7.456 12.981 8.078 1.00 0.47 H new ATOM 0 HB2 SER B 44 -5.635 11.531 8.804 1.00 0.51 H new ATOM 0 HB3 SER B 44 -5.740 10.587 7.331 1.00 0.51 H new ATOM 0 HG SER B 44 -4.040 12.150 7.252 1.00 0.59 H new ATOM 2350 N PHE B 45 -7.613 11.138 5.345 1.00 0.41 N ATOM 2351 CA PHE B 45 -7.765 11.170 3.898 1.00 0.41 C ATOM 2352 C PHE B 45 -9.009 11.940 3.501 1.00 0.41 C ATOM 2353 O PHE B 45 -8.940 12.938 2.784 1.00 0.46 O ATOM 2354 CB PHE B 45 -7.839 9.757 3.322 1.00 0.45 C ATOM 2355 CG PHE B 45 -7.716 9.762 1.822 1.00 1.06 C ATOM 2356 CD1 PHE B 45 -6.468 9.830 1.221 1.00 1.81 C ATOM 2357 CD2 PHE B 45 -8.841 9.737 1.016 1.00 1.83 C ATOM 2358 CE1 PHE B 45 -6.346 9.865 -0.155 1.00 2.37 C ATOM 2359 CE2 PHE B 45 -8.726 9.779 -0.361 1.00 2.38 C ATOM 2360 CZ PHE B 45 -7.477 9.841 -0.948 1.00 2.40 C ATOM 0 H PHE B 45 -7.490 10.202 5.730 1.00 0.41 H new ATOM 0 HA PHE B 45 -6.888 11.673 3.491 1.00 0.41 H new ATOM 0 HB2 PHE B 45 -7.044 9.147 3.751 1.00 0.45 H new ATOM 0 HB3 PHE B 45 -8.784 9.296 3.608 1.00 0.45 H new ATOM 0 HD1 PHE B 45 -5.581 9.856 1.836 1.00 1.81 H new ATOM 0 HD2 PHE B 45 -9.820 9.684 1.468 1.00 1.83 H new ATOM 0 HE1 PHE B 45 -5.368 9.911 -0.610 1.00 2.37 H new ATOM 0 HE2 PHE B 45 -9.612 9.763 -0.978 1.00 2.38 H new ATOM 0 HZ PHE B 45 -7.385 9.871 -2.024 1.00 2.40 H new ATOM 2370 N LEU B 46 -10.148 11.472 3.971 1.00 0.45 N ATOM 2371 CA LEU B 46 -11.401 12.115 3.626 1.00 0.57 C ATOM 2372 C LEU B 46 -11.806 13.158 4.647 1.00 0.65 C ATOM 2373 O LEU B 46 -12.804 13.846 4.468 1.00 0.66 O ATOM 2374 CB LEU B 46 -12.518 11.110 3.441 1.00 0.67 C ATOM 2375 CG LEU B 46 -12.474 10.307 2.148 1.00 0.57 C ATOM 2376 CD1 LEU B 46 -13.836 9.716 1.902 1.00 0.71 C ATOM 2377 CD2 LEU B 46 -12.050 11.166 0.964 1.00 0.54 C ATOM 0 H LEU B 46 -10.233 10.661 4.584 1.00 0.45 H new ATOM 0 HA LEU B 46 -11.231 12.619 2.675 1.00 0.57 H new ATOM 0 HB2 LEU B 46 -12.499 10.415 4.280 1.00 0.67 H new ATOM 0 HB3 LEU B 46 -13.470 11.639 3.487 1.00 0.67 H new ATOM 0 HG LEU B 46 -11.732 9.516 2.252 1.00 0.57 H new ATOM 0 HD11 LEU B 46 -13.820 9.137 0.978 1.00 0.71 H new ATOM 0 HD12 LEU B 46 -14.106 9.065 2.733 1.00 0.71 H new ATOM 0 HD13 LEU B 46 -14.570 10.517 1.816 1.00 0.71 H new ATOM 0 HD21 LEU B 46 -12.031 10.556 0.061 1.00 0.54 H new ATOM 0 HD22 LEU B 46 -12.759 11.984 0.835 1.00 0.54 H new ATOM 0 HD23 LEU B 46 -11.056 11.574 1.148 1.00 0.54 H new ATOM 2389 N GLY B 47 -11.043 13.282 5.716 1.00 0.74 N ATOM 2390 CA GLY B 47 -11.289 14.357 6.654 1.00 0.90 C ATOM 2391 C GLY B 47 -11.148 15.682 5.961 1.00 0.89 C ATOM 2392 O GLY B 47 -11.784 16.671 6.325 1.00 0.99 O ATOM 0 H GLY B 47 -10.265 12.666 5.953 1.00 0.74 H new ATOM 0 HA2 GLY B 47 -12.290 14.262 7.075 1.00 0.90 H new ATOM 0 HA3 GLY B 47 -10.586 14.295 7.485 1.00 0.90 H new ATOM 2396 N LYS B 48 -10.309 15.686 4.940 1.00 0.79 N ATOM 2397 CA LYS B 48 -10.180 16.841 4.070 1.00 0.82 C ATOM 2398 C LYS B 48 -11.408 17.029 3.185 1.00 0.78 C ATOM 2399 O LYS B 48 -11.778 18.156 2.865 1.00 0.87 O ATOM 2400 CB LYS B 48 -8.967 16.693 3.164 1.00 0.81 C ATOM 2401 CG LYS B 48 -7.676 17.325 3.688 1.00 1.08 C ATOM 2402 CD LYS B 48 -6.989 16.478 4.759 1.00 1.51 C ATOM 2403 CE LYS B 48 -7.615 16.649 6.138 1.00 2.27 C ATOM 2404 NZ LYS B 48 -7.458 18.033 6.661 1.00 3.17 N ATOM 0 H LYS B 48 -9.706 14.901 4.693 1.00 0.79 H new ATOM 0 HA LYS B 48 -10.071 17.709 4.720 1.00 0.82 H new ATOM 0 HB2 LYS B 48 -8.789 15.631 2.994 1.00 0.81 H new ATOM 0 HB3 LYS B 48 -9.201 17.136 2.196 1.00 0.81 H new ATOM 0 HG2 LYS B 48 -6.988 17.477 2.856 1.00 1.08 H new ATOM 0 HG3 LYS B 48 -7.901 18.309 4.099 1.00 1.08 H new ATOM 0 HD2 LYS B 48 -7.036 15.428 4.471 1.00 1.51 H new ATOM 0 HD3 LYS B 48 -5.934 16.748 4.808 1.00 1.51 H new ATOM 0 HE2 LYS B 48 -8.675 16.400 6.087 1.00 2.27 H new ATOM 0 HE3 LYS B 48 -7.156 15.946 6.833 1.00 2.27 H new ATOM 0 HZ1 LYS B 48 -7.579 18.030 7.694 1.00 3.17 H new ATOM 0 HZ2 LYS B 48 -6.509 18.388 6.425 1.00 3.17 H new ATOM 0 HZ3 LYS B 48 -8.176 18.650 6.230 1.00 3.17 H new ATOM 2418 N ARG B 49 -12.047 15.932 2.801 1.00 0.73 N ATOM 2419 CA ARG B 49 -13.069 15.980 1.767 1.00 0.81 C ATOM 2420 C ARG B 49 -13.989 14.768 1.844 1.00 0.74 C ATOM 2421 O ARG B 49 -13.653 13.685 1.377 1.00 1.00 O ATOM 2422 CB ARG B 49 -12.384 16.079 0.393 1.00 0.95 C ATOM 2423 CG ARG B 49 -13.324 16.202 -0.802 1.00 1.17 C ATOM 2424 CD ARG B 49 -13.717 14.844 -1.371 1.00 1.01 C ATOM 2425 NE ARG B 49 -12.560 13.955 -1.521 1.00 1.61 N ATOM 2426 CZ ARG B 49 -12.257 13.285 -2.632 1.00 1.86 C ATOM 2427 NH1 ARG B 49 -13.011 13.409 -3.719 1.00 2.13 N ATOM 2428 NH2 ARG B 49 -11.192 12.492 -2.653 1.00 2.50 N ATOM 0 H ARG B 49 -11.876 15.004 3.188 1.00 0.73 H new ATOM 0 HA ARG B 49 -13.695 16.859 1.919 1.00 0.81 H new ATOM 0 HB2 ARG B 49 -11.718 16.942 0.400 1.00 0.95 H new ATOM 0 HB3 ARG B 49 -11.760 15.196 0.253 1.00 0.95 H new ATOM 0 HG2 ARG B 49 -14.222 16.741 -0.501 1.00 1.17 H new ATOM 0 HG3 ARG B 49 -12.843 16.794 -1.580 1.00 1.17 H new ATOM 0 HD2 ARG B 49 -14.452 14.375 -0.716 1.00 1.01 H new ATOM 0 HD3 ARG B 49 -14.196 14.982 -2.340 1.00 1.01 H new ATOM 0 HE ARG B 49 -11.943 13.842 -0.717 1.00 1.61 H new ATOM 0 HH11 ARG B 49 -13.828 14.020 -3.706 1.00 2.13 H new ATOM 0 HH12 ARG B 49 -12.773 12.893 -4.566 1.00 2.13 H new ATOM 0 HH21 ARG B 49 -10.610 12.398 -1.821 1.00 2.50 H new ATOM 0 HH22 ARG B 49 -10.956 11.977 -3.501 1.00 2.50 H new ATOM 2442 N THR B 50 -15.137 14.956 2.461 1.00 0.75 N ATOM 2443 CA THR B 50 -16.167 13.920 2.489 1.00 0.72 C ATOM 2444 C THR B 50 -17.441 14.389 1.801 1.00 0.82 C ATOM 2445 O THR B 50 -17.897 15.512 2.018 1.00 1.33 O ATOM 2446 CB THR B 50 -16.520 13.475 3.922 1.00 0.73 C ATOM 2447 OG1 THR B 50 -16.609 14.610 4.791 1.00 0.83 O ATOM 2448 CG2 THR B 50 -15.498 12.492 4.457 1.00 0.63 C ATOM 0 H THR B 50 -15.387 15.814 2.952 1.00 0.75 H new ATOM 0 HA THR B 50 -15.745 13.069 1.954 1.00 0.72 H new ATOM 0 HB THR B 50 -17.489 12.977 3.887 1.00 0.73 H new ATOM 0 HG1 THR B 50 -16.835 14.312 5.697 1.00 0.83 H new ATOM 0 HG21 THR B 50 -15.773 12.196 5.469 1.00 0.63 H new ATOM 0 HG22 THR B 50 -15.470 11.611 3.816 1.00 0.63 H new ATOM 0 HG23 THR B 50 -14.514 12.961 4.471 1.00 0.63 H new ATOM 2456 N ASP B 51 -18.000 13.524 0.962 1.00 0.57 N ATOM 2457 CA ASP B 51 -19.271 13.793 0.300 1.00 0.61 C ATOM 2458 C ASP B 51 -19.728 12.548 -0.444 1.00 0.58 C ATOM 2459 O ASP B 51 -18.889 11.791 -0.924 1.00 0.54 O ATOM 2460 CB ASP B 51 -19.146 14.959 -0.682 1.00 0.68 C ATOM 2461 CG ASP B 51 -20.490 15.415 -1.206 1.00 1.25 C ATOM 2462 OD1 ASP B 51 -21.100 16.303 -0.579 1.00 2.01 O ATOM 2463 OD2 ASP B 51 -20.952 14.883 -2.236 1.00 1.77 O ATOM 0 H ASP B 51 -17.588 12.622 0.723 1.00 0.57 H new ATOM 0 HA ASP B 51 -20.004 14.063 1.060 1.00 0.61 H new ATOM 0 HB2 ASP B 51 -18.648 15.794 -0.189 1.00 0.68 H new ATOM 0 HB3 ASP B 51 -18.515 14.660 -1.519 1.00 0.68 H new ATOM 2468 N GLU B 52 -21.034 12.326 -0.531 1.00 0.67 N ATOM 2469 CA GLU B 52 -21.564 11.148 -1.224 1.00 0.71 C ATOM 2470 C GLU B 52 -21.036 11.078 -2.653 1.00 0.66 C ATOM 2471 O GLU B 52 -20.637 10.014 -3.129 1.00 0.63 O ATOM 2472 CB GLU B 52 -23.091 11.167 -1.236 1.00 0.87 C ATOM 2473 CG GLU B 52 -23.702 11.206 0.151 1.00 0.95 C ATOM 2474 CD GLU B 52 -25.207 11.055 0.124 1.00 1.31 C ATOM 2475 OE1 GLU B 52 -25.904 12.058 -0.129 1.00 1.82 O ATOM 2476 OE2 GLU B 52 -25.701 9.928 0.349 1.00 1.90 O ATOM 0 H GLU B 52 -21.746 12.940 -0.134 1.00 0.67 H new ATOM 0 HA GLU B 52 -21.229 10.264 -0.682 1.00 0.71 H new ATOM 0 HB2 GLU B 52 -23.432 12.035 -1.800 1.00 0.87 H new ATOM 0 HB3 GLU B 52 -23.454 10.283 -1.761 1.00 0.87 H new ATOM 0 HG2 GLU B 52 -23.271 10.409 0.757 1.00 0.95 H new ATOM 0 HG3 GLU B 52 -23.443 12.149 0.633 1.00 0.95 H new ATOM 2483 N ALA B 53 -21.005 12.227 -3.313 1.00 0.71 N ATOM 2484 CA ALA B 53 -20.505 12.311 -4.677 1.00 0.76 C ATOM 2485 C ALA B 53 -19.008 12.031 -4.721 1.00 0.66 C ATOM 2486 O ALA B 53 -18.501 11.447 -5.678 1.00 0.68 O ATOM 2487 CB ALA B 53 -20.810 13.677 -5.269 1.00 0.91 C ATOM 0 H ALA B 53 -21.321 13.116 -2.925 1.00 0.71 H new ATOM 0 HA ALA B 53 -21.010 11.553 -5.275 1.00 0.76 H new ATOM 0 HB1 ALA B 53 -20.430 13.724 -6.289 1.00 0.91 H new ATOM 0 HB2 ALA B 53 -21.888 13.838 -5.275 1.00 0.91 H new ATOM 0 HB3 ALA B 53 -20.331 14.449 -4.667 1.00 0.91 H new ATOM 2493 N ALA B 54 -18.307 12.438 -3.668 1.00 0.59 N ATOM 2494 CA ALA B 54 -16.881 12.190 -3.551 1.00 0.58 C ATOM 2495 C ALA B 54 -16.615 10.698 -3.432 1.00 0.48 C ATOM 2496 O ALA B 54 -15.687 10.176 -4.040 1.00 0.45 O ATOM 2497 CB ALA B 54 -16.312 12.930 -2.353 1.00 0.64 C ATOM 0 H ALA B 54 -18.710 12.944 -2.880 1.00 0.59 H new ATOM 0 HA ALA B 54 -16.387 12.560 -4.450 1.00 0.58 H new ATOM 0 HB1 ALA B 54 -15.242 12.734 -2.279 1.00 0.64 H new ATOM 0 HB2 ALA B 54 -16.477 14.001 -2.475 1.00 0.64 H new ATOM 0 HB3 ALA B 54 -16.808 12.587 -1.445 1.00 0.64 H new ATOM 2503 N PHE B 55 -17.438 10.022 -2.640 1.00 0.46 N ATOM 2504 CA PHE B 55 -17.378 8.569 -2.522 1.00 0.42 C ATOM 2505 C PHE B 55 -17.677 7.907 -3.854 1.00 0.44 C ATOM 2506 O PHE B 55 -17.042 6.930 -4.231 1.00 0.45 O ATOM 2507 CB PHE B 55 -18.385 8.075 -1.497 1.00 0.43 C ATOM 2508 CG PHE B 55 -18.027 8.417 -0.081 1.00 1.06 C ATOM 2509 CD1 PHE B 55 -16.966 7.795 0.550 1.00 1.87 C ATOM 2510 CD2 PHE B 55 -18.753 9.364 0.620 1.00 1.97 C ATOM 2511 CE1 PHE B 55 -16.639 8.113 1.852 1.00 2.69 C ATOM 2512 CE2 PHE B 55 -18.429 9.687 1.922 1.00 2.77 C ATOM 2513 CZ PHE B 55 -17.370 9.060 2.538 1.00 2.95 C ATOM 0 H PHE B 55 -18.159 10.459 -2.066 1.00 0.46 H new ATOM 0 HA PHE B 55 -16.369 8.306 -2.204 1.00 0.42 H new ATOM 0 HB2 PHE B 55 -19.362 8.500 -1.727 1.00 0.43 H new ATOM 0 HB3 PHE B 55 -18.479 6.993 -1.587 1.00 0.43 H new ATOM 0 HD1 PHE B 55 -16.388 7.053 0.019 1.00 1.87 H new ATOM 0 HD2 PHE B 55 -19.586 9.858 0.141 1.00 1.97 H new ATOM 0 HE1 PHE B 55 -15.809 7.619 2.335 1.00 2.69 H new ATOM 0 HE2 PHE B 55 -19.004 10.429 2.456 1.00 2.77 H new ATOM 0 HZ PHE B 55 -17.112 9.309 3.557 1.00 2.95 H new ATOM 2523 N GLN B 56 -18.672 8.438 -4.542 1.00 0.48 N ATOM 2524 CA GLN B 56 -19.045 7.970 -5.867 1.00 0.54 C ATOM 2525 C GLN B 56 -17.850 8.055 -6.820 1.00 0.53 C ATOM 2526 O GLN B 56 -17.584 7.125 -7.586 1.00 0.56 O ATOM 2527 CB GLN B 56 -20.219 8.816 -6.364 1.00 0.62 C ATOM 2528 CG GLN B 56 -20.640 8.546 -7.794 1.00 0.76 C ATOM 2529 CD GLN B 56 -21.059 7.112 -8.032 1.00 0.97 C ATOM 2530 OE1 GLN B 56 -22.217 6.749 -7.840 1.00 1.69 O ATOM 2531 NE2 GLN B 56 -20.121 6.297 -8.473 1.00 0.87 N ATOM 0 H GLN B 56 -19.246 9.208 -4.198 1.00 0.48 H new ATOM 0 HA GLN B 56 -19.348 6.924 -5.827 1.00 0.54 H new ATOM 0 HB2 GLN B 56 -21.074 8.644 -5.710 1.00 0.62 H new ATOM 0 HB3 GLN B 56 -19.954 9.869 -6.271 1.00 0.62 H new ATOM 0 HG2 GLN B 56 -21.467 9.207 -8.053 1.00 0.76 H new ATOM 0 HG3 GLN B 56 -19.814 8.792 -8.462 1.00 0.76 H new ATOM 0 HE21 GLN B 56 -19.172 6.642 -8.618 1.00 0.87 H new ATOM 0 HE22 GLN B 56 -20.344 5.321 -8.669 1.00 0.87 H new ATOM 2540 N LYS B 57 -17.118 9.160 -6.755 1.00 0.51 N ATOM 2541 CA LYS B 57 -15.914 9.321 -7.560 1.00 0.51 C ATOM 2542 C LYS B 57 -14.802 8.403 -7.067 1.00 0.47 C ATOM 2543 O LYS B 57 -14.105 7.783 -7.866 1.00 0.47 O ATOM 2544 CB LYS B 57 -15.435 10.774 -7.547 1.00 0.55 C ATOM 2545 CG LYS B 57 -15.698 11.514 -8.851 1.00 0.76 C ATOM 2546 CD LYS B 57 -17.182 11.747 -9.090 1.00 1.00 C ATOM 2547 CE LYS B 57 -17.726 12.867 -8.217 1.00 0.86 C ATOM 2548 NZ LYS B 57 -19.144 13.181 -8.541 1.00 1.60 N ATOM 0 H LYS B 57 -17.336 9.956 -6.155 1.00 0.51 H new ATOM 0 HA LYS B 57 -16.165 9.047 -8.585 1.00 0.51 H new ATOM 0 HB2 LYS B 57 -15.929 11.303 -6.732 1.00 0.55 H new ATOM 0 HB3 LYS B 57 -14.366 10.793 -7.337 1.00 0.55 H new ATOM 0 HG2 LYS B 57 -15.180 12.473 -8.834 1.00 0.76 H new ATOM 0 HG3 LYS B 57 -15.283 10.942 -9.681 1.00 0.76 H new ATOM 0 HD2 LYS B 57 -17.347 11.991 -10.139 1.00 1.00 H new ATOM 0 HD3 LYS B 57 -17.732 10.828 -8.886 1.00 1.00 H new ATOM 0 HE2 LYS B 57 -17.648 12.581 -7.168 1.00 0.86 H new ATOM 0 HE3 LYS B 57 -17.116 13.761 -8.350 1.00 0.86 H new ATOM 0 HZ1 LYS B 57 -19.392 14.112 -8.149 1.00 1.60 H new ATOM 0 HZ2 LYS B 57 -19.269 13.196 -9.573 1.00 1.60 H new ATOM 0 HZ3 LYS B 57 -19.763 12.455 -8.128 1.00 1.60 H new ATOM 2562 N LEU B 58 -14.647 8.317 -5.750 1.00 0.45 N ATOM 2563 CA LEU B 58 -13.615 7.488 -5.145 1.00 0.43 C ATOM 2564 C LEU B 58 -13.807 6.030 -5.530 1.00 0.42 C ATOM 2565 O LEU B 58 -12.840 5.325 -5.807 1.00 0.41 O ATOM 2566 CB LEU B 58 -13.638 7.631 -3.626 1.00 0.43 C ATOM 2567 CG LEU B 58 -12.407 7.085 -2.912 1.00 0.39 C ATOM 2568 CD1 LEU B 58 -11.152 7.784 -3.409 1.00 0.39 C ATOM 2569 CD2 LEU B 58 -12.553 7.256 -1.413 1.00 0.40 C ATOM 0 H LEU B 58 -15.229 8.817 -5.078 1.00 0.45 H new ATOM 0 HA LEU B 58 -12.647 7.825 -5.517 1.00 0.43 H new ATOM 0 HB2 LEU B 58 -13.747 8.686 -3.376 1.00 0.43 H new ATOM 0 HB3 LEU B 58 -14.520 7.120 -3.241 1.00 0.43 H new ATOM 0 HG LEU B 58 -12.318 6.021 -3.133 1.00 0.39 H new ATOM 0 HD11 LEU B 58 -10.282 7.383 -2.889 1.00 0.39 H new ATOM 0 HD12 LEU B 58 -11.043 7.618 -4.481 1.00 0.39 H new ATOM 0 HD13 LEU B 58 -11.230 8.854 -3.214 1.00 0.39 H new ATOM 0 HD21 LEU B 58 -11.668 6.862 -0.914 1.00 0.40 H new ATOM 0 HD22 LEU B 58 -12.662 8.314 -1.176 1.00 0.40 H new ATOM 0 HD23 LEU B 58 -13.434 6.714 -1.069 1.00 0.40 H new ATOM 2581 N MET B 59 -15.060 5.595 -5.543 1.00 0.45 N ATOM 2582 CA MET B 59 -15.419 4.273 -6.030 1.00 0.48 C ATOM 2583 C MET B 59 -14.814 4.076 -7.397 1.00 0.48 C ATOM 2584 O MET B 59 -13.979 3.212 -7.609 1.00 0.48 O ATOM 2585 CB MET B 59 -16.946 4.149 -6.127 1.00 0.54 C ATOM 2586 CG MET B 59 -17.429 2.821 -6.710 1.00 0.57 C ATOM 2587 SD MET B 59 -17.239 2.646 -8.505 1.00 1.64 S ATOM 2588 CE MET B 59 -18.226 4.005 -9.116 1.00 2.39 C ATOM 0 H MET B 59 -15.853 6.148 -5.217 1.00 0.45 H new ATOM 0 HA MET B 59 -15.043 3.516 -5.342 1.00 0.48 H new ATOM 0 HB2 MET B 59 -17.374 4.274 -5.132 1.00 0.54 H new ATOM 0 HB3 MET B 59 -17.328 4.964 -6.742 1.00 0.54 H new ATOM 0 HG2 MET B 59 -16.886 2.011 -6.223 1.00 0.57 H new ATOM 0 HG3 MET B 59 -18.482 2.695 -6.459 1.00 0.57 H new ATOM 0 HE1 MET B 59 -18.403 3.875 -10.184 1.00 2.39 H new ATOM 0 HE2 MET B 59 -19.180 4.027 -8.590 1.00 2.39 H new ATOM 0 HE3 MET B 59 -17.697 4.943 -8.948 1.00 2.39 H new ATOM 2598 N SER B 60 -15.235 4.940 -8.293 1.00 0.49 N ATOM 2599 CA SER B 60 -14.793 4.935 -9.680 1.00 0.52 C ATOM 2600 C SER B 60 -13.265 4.972 -9.786 1.00 0.51 C ATOM 2601 O SER B 60 -12.690 4.552 -10.787 1.00 0.55 O ATOM 2602 CB SER B 60 -15.405 6.129 -10.420 1.00 0.55 C ATOM 2603 OG SER B 60 -15.088 6.107 -11.803 1.00 1.34 O ATOM 0 H SER B 60 -15.905 5.680 -8.081 1.00 0.49 H new ATOM 0 HA SER B 60 -15.131 4.007 -10.141 1.00 0.52 H new ATOM 0 HB2 SER B 60 -16.488 6.119 -10.294 1.00 0.55 H new ATOM 0 HB3 SER B 60 -15.041 7.057 -9.978 1.00 0.55 H new ATOM 0 HG SER B 60 -15.495 6.881 -12.244 1.00 1.34 H new ATOM 2609 N ASN B 61 -12.611 5.495 -8.761 1.00 0.48 N ATOM 2610 CA ASN B 61 -11.163 5.572 -8.756 1.00 0.50 C ATOM 2611 C ASN B 61 -10.534 4.232 -8.412 1.00 0.49 C ATOM 2612 O ASN B 61 -9.654 3.739 -9.121 1.00 0.56 O ATOM 2613 CB ASN B 61 -10.674 6.633 -7.761 1.00 0.49 C ATOM 2614 CG ASN B 61 -10.996 8.048 -8.195 1.00 0.58 C ATOM 2615 OD1 ASN B 61 -11.060 8.343 -9.387 1.00 0.79 O ATOM 2616 ND2 ASN B 61 -11.197 8.940 -7.232 1.00 0.57 N ATOM 0 H ASN B 61 -13.060 5.871 -7.926 1.00 0.48 H new ATOM 0 HA ASN B 61 -10.855 5.853 -9.763 1.00 0.50 H new ATOM 0 HB2 ASN B 61 -11.127 6.446 -6.788 1.00 0.49 H new ATOM 0 HB3 ASN B 61 -9.596 6.535 -7.635 1.00 0.49 H new ATOM 0 HD21 ASN B 61 -11.413 9.908 -7.470 1.00 0.57 H new ATOM 0 HD22 ASN B 61 -11.135 8.657 -6.254 1.00 0.57 H new ATOM 2623 N LEU B 62 -10.996 3.649 -7.326 1.00 0.44 N ATOM 2624 CA LEU B 62 -10.417 2.423 -6.802 1.00 0.43 C ATOM 2625 C LEU B 62 -10.962 1.235 -7.565 1.00 0.48 C ATOM 2626 O LEU B 62 -10.213 0.399 -8.080 1.00 0.55 O ATOM 2627 CB LEU B 62 -10.776 2.291 -5.324 1.00 0.38 C ATOM 2628 CG LEU B 62 -10.794 3.613 -4.557 1.00 0.34 C ATOM 2629 CD1 LEU B 62 -11.164 3.393 -3.100 1.00 0.31 C ATOM 2630 CD2 LEU B 62 -9.463 4.335 -4.692 1.00 0.35 C ATOM 0 H LEU B 62 -11.780 4.007 -6.781 1.00 0.44 H new ATOM 0 HA LEU B 62 -9.333 2.454 -6.915 1.00 0.43 H new ATOM 0 HB2 LEU B 62 -11.757 1.824 -5.242 1.00 0.38 H new ATOM 0 HB3 LEU B 62 -10.062 1.619 -4.848 1.00 0.38 H new ATOM 0 HG LEU B 62 -11.561 4.250 -4.996 1.00 0.34 H new ATOM 0 HD11 LEU B 62 -11.169 4.350 -2.578 1.00 0.31 H new ATOM 0 HD12 LEU B 62 -12.154 2.941 -3.040 1.00 0.31 H new ATOM 0 HD13 LEU B 62 -10.434 2.730 -2.635 1.00 0.31 H new ATOM 0 HD21 LEU B 62 -9.500 5.273 -4.138 1.00 0.35 H new ATOM 0 HD22 LEU B 62 -8.667 3.708 -4.291 1.00 0.35 H new ATOM 0 HD23 LEU B 62 -9.267 4.543 -5.744 1.00 0.35 H new ATOM 2642 N ASP B 63 -12.278 1.205 -7.643 1.00 0.48 N ATOM 2643 CA ASP B 63 -13.009 0.158 -8.320 1.00 0.53 C ATOM 2644 C ASP B 63 -12.762 0.238 -9.817 1.00 0.57 C ATOM 2645 O ASP B 63 -13.433 0.976 -10.544 1.00 0.62 O ATOM 2646 CB ASP B 63 -14.495 0.310 -8.021 1.00 0.56 C ATOM 2647 CG ASP B 63 -15.336 -0.797 -8.618 1.00 0.67 C ATOM 2648 OD1 ASP B 63 -14.770 -1.701 -9.260 1.00 1.34 O ATOM 2649 OD2 ASP B 63 -16.574 -0.765 -8.452 1.00 1.24 O ATOM 0 H ASP B 63 -12.877 1.920 -7.230 1.00 0.48 H new ATOM 0 HA ASP B 63 -12.668 -0.814 -7.964 1.00 0.53 H new ATOM 0 HB2 ASP B 63 -14.642 0.328 -6.941 1.00 0.56 H new ATOM 0 HB3 ASP B 63 -14.841 1.269 -8.406 1.00 0.56 H new ATOM 2654 N SER B 64 -11.798 -0.531 -10.267 1.00 0.58 N ATOM 2655 CA SER B 64 -11.398 -0.524 -11.656 1.00 0.64 C ATOM 2656 C SER B 64 -12.370 -1.354 -12.482 1.00 0.65 C ATOM 2657 O SER B 64 -12.432 -1.232 -13.707 1.00 0.75 O ATOM 2658 CB SER B 64 -9.975 -1.061 -11.769 1.00 0.72 C ATOM 2659 OG SER B 64 -9.133 -0.412 -10.826 1.00 1.38 O ATOM 0 H SER B 64 -11.269 -1.178 -9.682 1.00 0.58 H new ATOM 0 HA SER B 64 -11.418 0.494 -12.044 1.00 0.64 H new ATOM 0 HB2 SER B 64 -9.969 -2.137 -11.594 1.00 0.72 H new ATOM 0 HB3 SER B 64 -9.596 -0.900 -12.778 1.00 0.72 H new ATOM 0 HG SER B 64 -8.222 -0.764 -10.904 1.00 1.38 H new ATOM 2665 N ASN B 65 -13.148 -2.174 -11.791 1.00 0.63 N ATOM 2666 CA ASN B 65 -14.112 -3.050 -12.435 1.00 0.72 C ATOM 2667 C ASN B 65 -15.466 -2.349 -12.580 1.00 0.69 C ATOM 2668 O ASN B 65 -16.305 -2.746 -13.392 1.00 0.77 O ATOM 2669 CB ASN B 65 -14.228 -4.353 -11.631 1.00 0.79 C ATOM 2670 CG ASN B 65 -15.602 -4.570 -11.034 1.00 1.01 C ATOM 2671 OD1 ASN B 65 -16.429 -5.296 -11.587 1.00 1.65 O ATOM 2672 ND2 ASN B 65 -15.867 -3.917 -9.921 1.00 1.16 N ATOM 0 H ASN B 65 -13.128 -2.250 -10.774 1.00 0.63 H new ATOM 0 HA ASN B 65 -13.770 -3.294 -13.441 1.00 0.72 H new ATOM 0 HB2 ASN B 65 -13.985 -5.194 -12.280 1.00 0.79 H new ATOM 0 HB3 ASN B 65 -13.489 -4.344 -10.830 1.00 0.79 H new ATOM 0 HD21 ASN B 65 -16.785 -4.003 -9.486 1.00 1.16 H new ATOM 0 HD22 ASN B 65 -15.154 -3.326 -9.495 1.00 1.16 H new ATOM 2679 N ARG B 66 -15.642 -1.285 -11.791 1.00 0.60 N ATOM 2680 CA ARG B 66 -16.831 -0.439 -11.813 1.00 0.60 C ATOM 2681 C ARG B 66 -18.100 -1.219 -11.491 1.00 0.60 C ATOM 2682 O ARG B 66 -19.026 -1.293 -12.302 1.00 0.69 O ATOM 2683 CB ARG B 66 -16.973 0.240 -13.161 1.00 0.67 C ATOM 2684 CG ARG B 66 -15.823 1.161 -13.519 1.00 0.70 C ATOM 2685 CD ARG B 66 -15.710 2.355 -12.579 1.00 0.70 C ATOM 2686 NE ARG B 66 -14.924 3.420 -13.200 1.00 0.78 N ATOM 2687 CZ ARG B 66 -13.600 3.386 -13.356 1.00 1.20 C ATOM 2688 NH1 ARG B 66 -12.883 2.408 -12.817 1.00 2.23 N ATOM 2689 NH2 ARG B 66 -12.987 4.355 -14.026 1.00 1.15 N ATOM 0 H ARG B 66 -14.947 -0.985 -11.108 1.00 0.60 H new ATOM 0 HA ARG B 66 -16.700 0.315 -11.037 1.00 0.60 H new ATOM 0 HB2 ARG B 66 -17.064 -0.525 -13.932 1.00 0.67 H new ATOM 0 HB3 ARG B 66 -17.899 0.814 -13.170 1.00 0.67 H new ATOM 0 HG2 ARG B 66 -14.891 0.597 -13.496 1.00 0.70 H new ATOM 0 HG3 ARG B 66 -15.954 1.519 -14.540 1.00 0.70 H new ATOM 0 HD2 ARG B 66 -16.704 2.726 -12.331 1.00 0.70 H new ATOM 0 HD3 ARG B 66 -15.242 2.047 -11.644 1.00 0.70 H new ATOM 0 HE ARG B 66 -15.422 4.244 -13.536 1.00 0.78 H new ATOM 0 HH11 ARG B 66 -13.344 1.675 -12.279 1.00 2.23 H new ATOM 0 HH12 ARG B 66 -11.871 2.390 -12.941 1.00 2.23 H new ATOM 0 HH21 ARG B 66 -13.529 5.124 -14.420 1.00 1.15 H new ATOM 0 HH22 ARG B 66 -11.974 4.330 -14.146 1.00 1.15 H new ATOM 2703 N ASP B 67 -18.147 -1.778 -10.300 1.00 0.58 N ATOM 2704 CA ASP B 67 -19.326 -2.506 -9.843 1.00 0.61 C ATOM 2705 C ASP B 67 -19.907 -1.809 -8.623 1.00 0.56 C ATOM 2706 O ASP B 67 -20.901 -2.253 -8.050 1.00 0.57 O ATOM 2707 CB ASP B 67 -18.978 -3.958 -9.509 1.00 0.69 C ATOM 2708 CG ASP B 67 -20.203 -4.841 -9.383 1.00 1.07 C ATOM 2709 OD1 ASP B 67 -21.071 -4.789 -10.275 1.00 1.72 O ATOM 2710 OD2 ASP B 67 -20.282 -5.620 -8.409 1.00 1.63 O ATOM 0 H ASP B 67 -17.383 -1.745 -9.625 1.00 0.58 H new ATOM 0 HA ASP B 67 -20.065 -2.515 -10.644 1.00 0.61 H new ATOM 0 HB2 ASP B 67 -18.325 -4.358 -10.285 1.00 0.69 H new ATOM 0 HB3 ASP B 67 -18.417 -3.987 -8.575 1.00 0.69 H new ATOM 2715 N ASN B 68 -19.245 -0.719 -8.230 1.00 0.53 N ATOM 2716 CA ASN B 68 -19.677 0.129 -7.117 1.00 0.51 C ATOM 2717 C ASN B 68 -19.332 -0.506 -5.786 1.00 0.46 C ATOM 2718 O ASN B 68 -19.875 -0.137 -4.742 1.00 0.47 O ATOM 2719 CB ASN B 68 -21.169 0.460 -7.200 1.00 0.58 C ATOM 2720 CG ASN B 68 -21.460 1.572 -8.189 1.00 0.73 C ATOM 2721 OD1 ASN B 68 -22.507 2.211 -8.124 1.00 1.08 O ATOM 2722 ND2 ASN B 68 -20.517 1.842 -9.078 1.00 0.66 N ATOM 0 H ASN B 68 -18.387 -0.397 -8.679 1.00 0.53 H new ATOM 0 HA ASN B 68 -19.133 1.070 -7.195 1.00 0.51 H new ATOM 0 HB2 ASN B 68 -21.721 -0.434 -7.490 1.00 0.58 H new ATOM 0 HB3 ASN B 68 -21.529 0.751 -6.213 1.00 0.58 H new ATOM 0 HD21 ASN B 68 -20.646 2.605 -9.742 1.00 0.66 H new ATOM 0 HD22 ASN B 68 -19.662 1.287 -9.099 1.00 0.66 H new ATOM 2729 N GLU B 69 -18.412 -1.455 -5.839 1.00 0.46 N ATOM 2730 CA GLU B 69 -17.886 -2.091 -4.647 1.00 0.42 C ATOM 2731 C GLU B 69 -16.388 -2.288 -4.815 1.00 0.40 C ATOM 2732 O GLU B 69 -15.943 -2.990 -5.725 1.00 0.44 O ATOM 2733 CB GLU B 69 -18.554 -3.442 -4.379 1.00 0.46 C ATOM 2734 CG GLU B 69 -20.072 -3.422 -4.443 1.00 0.50 C ATOM 2735 CD GLU B 69 -20.695 -4.727 -3.988 1.00 0.64 C ATOM 2736 OE1 GLU B 69 -20.906 -5.621 -4.833 1.00 1.31 O ATOM 2737 OE2 GLU B 69 -20.994 -4.860 -2.786 1.00 1.29 O ATOM 0 H GLU B 69 -18.011 -1.804 -6.709 1.00 0.46 H new ATOM 0 HA GLU B 69 -18.096 -1.445 -3.794 1.00 0.42 H new ATOM 0 HB2 GLU B 69 -18.183 -4.166 -5.104 1.00 0.46 H new ATOM 0 HB3 GLU B 69 -18.250 -3.793 -3.393 1.00 0.46 H new ATOM 0 HG2 GLU B 69 -20.447 -2.609 -3.821 1.00 0.50 H new ATOM 0 HG3 GLU B 69 -20.386 -3.212 -5.466 1.00 0.50 H new ATOM 2744 N VAL B 70 -15.622 -1.655 -3.951 1.00 0.37 N ATOM 2745 CA VAL B 70 -14.160 -1.726 -4.019 1.00 0.36 C ATOM 2746 C VAL B 70 -13.632 -2.995 -3.351 1.00 0.35 C ATOM 2747 O VAL B 70 -13.949 -3.267 -2.196 1.00 0.36 O ATOM 2748 CB VAL B 70 -13.508 -0.503 -3.350 1.00 0.33 C ATOM 2749 CG1 VAL B 70 -12.007 -0.686 -3.264 1.00 0.33 C ATOM 2750 CG2 VAL B 70 -13.833 0.764 -4.115 1.00 0.36 C ATOM 0 H VAL B 70 -15.980 -1.081 -3.187 1.00 0.37 H new ATOM 0 HA VAL B 70 -13.897 -1.741 -5.077 1.00 0.36 H new ATOM 0 HB VAL B 70 -13.911 -0.412 -2.341 1.00 0.33 H new ATOM 0 HG11 VAL B 70 -11.561 0.187 -2.789 1.00 0.33 H new ATOM 0 HG12 VAL B 70 -11.782 -1.575 -2.675 1.00 0.33 H new ATOM 0 HG13 VAL B 70 -11.597 -0.802 -4.267 1.00 0.33 H new ATOM 0 HG21 VAL B 70 -13.362 1.616 -3.625 1.00 0.36 H new ATOM 0 HG22 VAL B 70 -13.458 0.680 -5.135 1.00 0.36 H new ATOM 0 HG23 VAL B 70 -14.913 0.909 -4.136 1.00 0.36 H new ATOM 2760 N ASP B 71 -12.814 -3.757 -4.070 1.00 0.37 N ATOM 2761 CA ASP B 71 -12.277 -5.012 -3.533 1.00 0.39 C ATOM 2762 C ASP B 71 -11.062 -4.771 -2.647 1.00 0.37 C ATOM 2763 O ASP B 71 -10.536 -3.658 -2.595 1.00 0.35 O ATOM 2764 CB ASP B 71 -11.918 -5.993 -4.663 1.00 0.45 C ATOM 2765 CG ASP B 71 -10.421 -6.188 -4.870 1.00 0.77 C ATOM 2766 OD1 ASP B 71 -9.817 -5.425 -5.630 1.00 1.42 O ATOM 2767 OD2 ASP B 71 -9.843 -7.116 -4.262 1.00 1.35 O ATOM 0 H ASP B 71 -12.508 -3.535 -5.017 1.00 0.37 H new ATOM 0 HA ASP B 71 -13.062 -5.456 -2.921 1.00 0.39 H new ATOM 0 HB2 ASP B 71 -12.372 -6.960 -4.447 1.00 0.45 H new ATOM 0 HB3 ASP B 71 -12.358 -5.634 -5.593 1.00 0.45 H new ATOM 2772 N PHE B 72 -10.652 -5.823 -1.928 1.00 0.41 N ATOM 2773 CA PHE B 72 -9.431 -5.809 -1.120 1.00 0.44 C ATOM 2774 C PHE B 72 -8.308 -5.093 -1.848 1.00 0.40 C ATOM 2775 O PHE B 72 -7.740 -4.130 -1.346 1.00 0.42 O ATOM 2776 CB PHE B 72 -8.954 -7.233 -0.849 1.00 0.54 C ATOM 2777 CG PHE B 72 -9.579 -7.950 0.315 1.00 0.94 C ATOM 2778 CD1 PHE B 72 -10.754 -8.666 0.167 1.00 1.69 C ATOM 2779 CD2 PHE B 72 -8.953 -7.952 1.551 1.00 1.70 C ATOM 2780 CE1 PHE B 72 -11.292 -9.368 1.228 1.00 2.18 C ATOM 2781 CE2 PHE B 72 -9.493 -8.643 2.617 1.00 2.17 C ATOM 2782 CZ PHE B 72 -10.662 -9.355 2.453 1.00 2.15 C ATOM 0 H PHE B 72 -11.159 -6.707 -1.891 1.00 0.41 H new ATOM 0 HA PHE B 72 -9.669 -5.295 -0.189 1.00 0.44 H new ATOM 0 HB2 PHE B 72 -9.130 -7.826 -1.747 1.00 0.54 H new ATOM 0 HB3 PHE B 72 -7.876 -7.205 -0.691 1.00 0.54 H new ATOM 0 HD1 PHE B 72 -11.256 -8.676 -0.789 1.00 1.69 H new ATOM 0 HD2 PHE B 72 -8.031 -7.406 1.682 1.00 1.70 H new ATOM 0 HE1 PHE B 72 -12.207 -9.927 1.097 1.00 2.18 H new ATOM 0 HE2 PHE B 72 -9.000 -8.626 3.578 1.00 2.17 H new ATOM 0 HZ PHE B 72 -11.083 -9.902 3.284 1.00 2.15 H new ATOM 2792 N GLN B 73 -8.014 -5.575 -3.045 1.00 0.38 N ATOM 2793 CA GLN B 73 -6.891 -5.084 -3.824 1.00 0.37 C ATOM 2794 C GLN B 73 -7.126 -3.658 -4.303 1.00 0.36 C ATOM 2795 O GLN B 73 -6.249 -2.811 -4.171 1.00 0.36 O ATOM 2796 CB GLN B 73 -6.616 -6.007 -5.014 1.00 0.41 C ATOM 2797 CG GLN B 73 -5.521 -5.493 -5.928 1.00 0.50 C ATOM 2798 CD GLN B 73 -6.053 -4.986 -7.260 1.00 0.42 C ATOM 2799 OE1 GLN B 73 -6.031 -5.697 -8.263 1.00 0.62 O ATOM 2800 NE2 GLN B 73 -6.584 -3.776 -7.258 1.00 0.41 N ATOM 0 H GLN B 73 -8.546 -6.316 -3.502 1.00 0.38 H new ATOM 0 HA GLN B 73 -6.016 -5.079 -3.174 1.00 0.37 H new ATOM 0 HB2 GLN B 73 -6.338 -6.994 -4.644 1.00 0.41 H new ATOM 0 HB3 GLN B 73 -7.533 -6.130 -5.590 1.00 0.41 H new ATOM 0 HG2 GLN B 73 -4.984 -4.688 -5.427 1.00 0.50 H new ATOM 0 HG3 GLN B 73 -4.801 -6.291 -6.110 1.00 0.50 H new ATOM 0 HE21 GLN B 73 -6.581 -3.219 -6.403 1.00 0.41 H new ATOM 0 HE22 GLN B 73 -6.997 -3.399 -8.111 1.00 0.41 H new ATOM 2809 N GLU B 74 -8.295 -3.398 -4.877 1.00 0.37 N ATOM 2810 CA GLU B 74 -8.640 -2.064 -5.354 1.00 0.39 C ATOM 2811 C GLU B 74 -8.521 -1.052 -4.222 1.00 0.38 C ATOM 2812 O GLU B 74 -8.117 0.095 -4.431 1.00 0.41 O ATOM 2813 CB GLU B 74 -10.057 -2.064 -5.945 1.00 0.44 C ATOM 2814 CG GLU B 74 -10.200 -2.964 -7.167 1.00 0.59 C ATOM 2815 CD GLU B 74 -11.630 -3.095 -7.662 1.00 1.40 C ATOM 2816 OE1 GLU B 74 -12.519 -3.482 -6.863 1.00 2.04 O ATOM 2817 OE2 GLU B 74 -11.864 -2.835 -8.864 1.00 2.18 O ATOM 0 H GLU B 74 -9.023 -4.097 -5.024 1.00 0.37 H new ATOM 0 HA GLU B 74 -7.942 -1.777 -6.140 1.00 0.39 H new ATOM 0 HB2 GLU B 74 -10.763 -2.387 -5.180 1.00 0.44 H new ATOM 0 HB3 GLU B 74 -10.329 -1.045 -6.219 1.00 0.44 H new ATOM 0 HG2 GLU B 74 -9.580 -2.570 -7.972 1.00 0.59 H new ATOM 0 HG3 GLU B 74 -9.816 -3.955 -6.925 1.00 0.59 H new ATOM 2824 N TYR B 75 -8.824 -1.498 -3.013 1.00 0.34 N ATOM 2825 CA TYR B 75 -8.759 -0.635 -1.858 1.00 0.36 C ATOM 2826 C TYR B 75 -7.327 -0.571 -1.329 1.00 0.34 C ATOM 2827 O TYR B 75 -6.893 0.445 -0.789 1.00 0.34 O ATOM 2828 CB TYR B 75 -9.705 -1.119 -0.765 1.00 0.43 C ATOM 2829 CG TYR B 75 -10.131 0.014 0.133 1.00 0.86 C ATOM 2830 CD1 TYR B 75 -9.295 0.488 1.131 1.00 1.50 C ATOM 2831 CD2 TYR B 75 -11.356 0.639 -0.047 1.00 1.72 C ATOM 2832 CE1 TYR B 75 -9.671 1.545 1.926 1.00 1.86 C ATOM 2833 CE2 TYR B 75 -11.733 1.700 0.746 1.00 2.09 C ATOM 2834 CZ TYR B 75 -10.887 2.146 1.728 1.00 1.84 C ATOM 2835 OH TYR B 75 -11.254 3.200 2.522 1.00 2.33 O ATOM 0 H TYR B 75 -9.117 -2.454 -2.812 1.00 0.34 H new ATOM 0 HA TYR B 75 -9.070 0.365 -2.159 1.00 0.36 H new ATOM 0 HB2 TYR B 75 -10.584 -1.576 -1.219 1.00 0.43 H new ATOM 0 HB3 TYR B 75 -9.214 -1.891 -0.172 1.00 0.43 H new ATOM 0 HD1 TYR B 75 -8.334 0.020 1.287 1.00 1.50 H new ATOM 0 HD2 TYR B 75 -12.024 0.289 -0.820 1.00 1.72 H new ATOM 0 HE1 TYR B 75 -9.011 1.900 2.703 1.00 1.86 H new ATOM 0 HE2 TYR B 75 -12.690 2.178 0.595 1.00 2.09 H new ATOM 0 HH TYR B 75 -11.054 4.042 2.062 1.00 2.33 H new ATOM 2845 N SER B 76 -6.597 -1.665 -1.484 1.00 0.35 N ATOM 2846 CA SER B 76 -5.189 -1.697 -1.131 1.00 0.36 C ATOM 2847 C SER B 76 -4.431 -0.695 -1.987 1.00 0.36 C ATOM 2848 O SER B 76 -3.653 0.102 -1.476 1.00 0.41 O ATOM 2849 CB SER B 76 -4.614 -3.102 -1.324 1.00 0.41 C ATOM 2850 OG SER B 76 -5.229 -4.029 -0.446 1.00 1.21 O ATOM 0 H SER B 76 -6.959 -2.544 -1.853 1.00 0.35 H new ATOM 0 HA SER B 76 -5.081 -1.430 -0.080 1.00 0.36 H new ATOM 0 HB2 SER B 76 -4.762 -3.420 -2.356 1.00 0.41 H new ATOM 0 HB3 SER B 76 -3.539 -3.086 -1.146 1.00 0.41 H new ATOM 0 HG SER B 76 -6.203 -3.975 -0.543 1.00 1.21 H new ATOM 2856 N VAL B 77 -4.716 -0.718 -3.289 1.00 0.35 N ATOM 2857 CA VAL B 77 -4.112 0.200 -4.246 1.00 0.36 C ATOM 2858 C VAL B 77 -4.489 1.630 -3.893 1.00 0.33 C ATOM 2859 O VAL B 77 -3.731 2.571 -4.128 1.00 0.32 O ATOM 2860 CB VAL B 77 -4.568 -0.107 -5.691 1.00 0.40 C ATOM 2861 CG1 VAL B 77 -4.005 0.913 -6.668 1.00 0.43 C ATOM 2862 CG2 VAL B 77 -4.152 -1.512 -6.095 1.00 0.43 C ATOM 0 H VAL B 77 -5.374 -1.376 -3.707 1.00 0.35 H new ATOM 0 HA VAL B 77 -3.031 0.074 -4.194 1.00 0.36 H new ATOM 0 HB VAL B 77 -5.656 -0.043 -5.721 1.00 0.40 H new ATOM 0 HG11 VAL B 77 -4.341 0.674 -7.677 1.00 0.43 H new ATOM 0 HG12 VAL B 77 -4.354 1.909 -6.396 1.00 0.43 H new ATOM 0 HG13 VAL B 77 -2.916 0.888 -6.633 1.00 0.43 H new ATOM 0 HG21 VAL B 77 -4.482 -1.710 -7.115 1.00 0.43 H new ATOM 0 HG22 VAL B 77 -3.067 -1.600 -6.041 1.00 0.43 H new ATOM 0 HG23 VAL B 77 -4.609 -2.235 -5.419 1.00 0.43 H new ATOM 2872 N PHE B 78 -5.669 1.777 -3.322 1.00 0.32 N ATOM 2873 CA PHE B 78 -6.110 3.057 -2.800 1.00 0.29 C ATOM 2874 C PHE B 78 -5.140 3.558 -1.738 1.00 0.27 C ATOM 2875 O PHE B 78 -4.572 4.644 -1.868 1.00 0.28 O ATOM 2876 CB PHE B 78 -7.511 2.922 -2.216 1.00 0.27 C ATOM 2877 CG PHE B 78 -8.030 4.175 -1.573 1.00 0.28 C ATOM 2878 CD1 PHE B 78 -7.751 5.423 -2.108 1.00 1.23 C ATOM 2879 CD2 PHE B 78 -8.806 4.098 -0.433 1.00 1.18 C ATOM 2880 CE1 PHE B 78 -8.237 6.566 -1.515 1.00 1.24 C ATOM 2881 CE2 PHE B 78 -9.294 5.238 0.162 1.00 1.19 C ATOM 2882 CZ PHE B 78 -9.010 6.474 -0.378 1.00 0.37 C ATOM 0 H PHE B 78 -6.344 1.021 -3.207 1.00 0.32 H new ATOM 0 HA PHE B 78 -6.134 3.782 -3.614 1.00 0.29 H new ATOM 0 HB2 PHE B 78 -8.196 2.623 -3.009 1.00 0.27 H new ATOM 0 HB3 PHE B 78 -7.509 2.121 -1.477 1.00 0.27 H new ATOM 0 HD1 PHE B 78 -7.146 5.499 -2.999 1.00 1.23 H new ATOM 0 HD2 PHE B 78 -9.032 3.133 -0.004 1.00 1.18 H new ATOM 0 HE1 PHE B 78 -8.013 7.533 -1.940 1.00 1.24 H new ATOM 0 HE2 PHE B 78 -9.900 5.165 1.053 1.00 1.19 H new ATOM 0 HZ PHE B 78 -9.393 7.369 0.089 1.00 0.37 H new ATOM 2892 N LEU B 79 -4.938 2.753 -0.700 1.00 0.27 N ATOM 2893 CA LEU B 79 -4.012 3.112 0.372 1.00 0.27 C ATOM 2894 C LEU B 79 -2.606 3.279 -0.191 1.00 0.31 C ATOM 2895 O LEU B 79 -1.823 4.104 0.276 1.00 0.33 O ATOM 2896 CB LEU B 79 -3.986 2.041 1.456 1.00 0.29 C ATOM 2897 CG LEU B 79 -5.344 1.556 1.956 1.00 0.29 C ATOM 2898 CD1 LEU B 79 -5.134 0.605 3.103 1.00 0.40 C ATOM 2899 CD2 LEU B 79 -6.233 2.720 2.380 1.00 0.30 C ATOM 0 H LEU B 79 -5.400 1.852 -0.577 1.00 0.27 H new ATOM 0 HA LEU B 79 -4.354 4.050 0.810 1.00 0.27 H new ATOM 0 HB2 LEU B 79 -3.434 1.182 1.075 1.00 0.29 H new ATOM 0 HB3 LEU B 79 -3.426 2.428 2.307 1.00 0.29 H new ATOM 0 HG LEU B 79 -5.854 1.042 1.141 1.00 0.29 H new ATOM 0 HD11 LEU B 79 -6.100 0.254 3.466 1.00 0.40 H new ATOM 0 HD12 LEU B 79 -4.542 -0.246 2.766 1.00 0.40 H new ATOM 0 HD13 LEU B 79 -4.608 1.117 3.909 1.00 0.40 H new ATOM 0 HD21 LEU B 79 -7.192 2.337 2.730 1.00 0.30 H new ATOM 0 HD22 LEU B 79 -5.748 3.274 3.184 1.00 0.30 H new ATOM 0 HD23 LEU B 79 -6.396 3.382 1.530 1.00 0.30 H new ATOM 2911 N SER B 80 -2.303 2.473 -1.197 1.00 0.36 N ATOM 2912 CA SER B 80 -1.032 2.538 -1.895 1.00 0.47 C ATOM 2913 C SER B 80 -0.837 3.919 -2.500 1.00 0.37 C ATOM 2914 O SER B 80 0.192 4.560 -2.297 1.00 0.38 O ATOM 2915 CB SER B 80 -1.005 1.485 -2.997 1.00 0.66 C ATOM 2916 OG SER B 80 -1.313 0.200 -2.486 1.00 0.84 O ATOM 0 H SER B 80 -2.934 1.755 -1.552 1.00 0.36 H new ATOM 0 HA SER B 80 -0.225 2.347 -1.187 1.00 0.47 H new ATOM 0 HB2 SER B 80 -1.721 1.751 -3.775 1.00 0.66 H new ATOM 0 HB3 SER B 80 -0.020 1.467 -3.463 1.00 0.66 H new ATOM 0 HG SER B 80 -2.234 0.193 -2.151 1.00 0.84 H new ATOM 2922 N SER B 81 -1.853 4.375 -3.226 1.00 0.33 N ATOM 2923 CA SER B 81 -1.842 5.697 -3.826 1.00 0.30 C ATOM 2924 C SER B 81 -1.680 6.758 -2.750 1.00 0.24 C ATOM 2925 O SER B 81 -1.040 7.778 -2.969 1.00 0.26 O ATOM 2926 CB SER B 81 -3.131 5.926 -4.618 1.00 0.37 C ATOM 2927 OG SER B 81 -3.308 4.914 -5.598 1.00 1.22 O ATOM 0 H SER B 81 -2.701 3.839 -3.412 1.00 0.33 H new ATOM 0 HA SER B 81 -0.998 5.768 -4.512 1.00 0.30 H new ATOM 0 HB2 SER B 81 -3.984 5.934 -3.939 1.00 0.37 H new ATOM 0 HB3 SER B 81 -3.098 6.903 -5.100 1.00 0.37 H new ATOM 0 HG SER B 81 -3.556 4.073 -5.159 1.00 1.22 H new ATOM 2933 N ILE B 82 -2.256 6.496 -1.583 1.00 0.23 N ATOM 2934 CA ILE B 82 -2.089 7.375 -0.433 1.00 0.23 C ATOM 2935 C ILE B 82 -0.633 7.434 0.006 1.00 0.27 C ATOM 2936 O ILE B 82 -0.057 8.509 0.125 1.00 0.30 O ATOM 2937 CB ILE B 82 -2.926 6.905 0.765 1.00 0.24 C ATOM 2938 CG1 ILE B 82 -4.403 6.837 0.390 1.00 0.21 C ATOM 2939 CG2 ILE B 82 -2.699 7.823 1.959 1.00 0.28 C ATOM 2940 CD1 ILE B 82 -5.285 6.410 1.534 1.00 0.23 C ATOM 0 H ILE B 82 -2.844 5.681 -1.408 1.00 0.23 H new ATOM 0 HA ILE B 82 -2.426 8.362 -0.750 1.00 0.23 H new ATOM 0 HB ILE B 82 -2.608 5.901 1.046 1.00 0.24 H new ATOM 0 HG12 ILE B 82 -4.727 7.815 0.035 1.00 0.21 H new ATOM 0 HG13 ILE B 82 -4.530 6.140 -0.438 1.00 0.21 H new ATOM 0 HG21 ILE B 82 -3.298 7.479 2.802 1.00 0.28 H new ATOM 0 HG22 ILE B 82 -1.644 7.808 2.234 1.00 0.28 H new ATOM 0 HG23 ILE B 82 -2.992 8.840 1.697 1.00 0.28 H new ATOM 0 HD11 ILE B 82 -6.323 6.382 1.202 1.00 0.23 H new ATOM 0 HD12 ILE B 82 -4.985 5.419 1.874 1.00 0.23 H new ATOM 0 HD13 ILE B 82 -5.186 7.120 2.355 1.00 0.23 H new ATOM 2952 N ALA B 83 -0.049 6.275 0.263 1.00 0.30 N ATOM 2953 CA ALA B 83 1.336 6.203 0.704 1.00 0.36 C ATOM 2954 C ALA B 83 2.272 6.847 -0.321 1.00 0.37 C ATOM 2955 O ALA B 83 3.189 7.581 0.044 1.00 0.42 O ATOM 2956 CB ALA B 83 1.720 4.757 0.985 1.00 0.40 C ATOM 0 H ALA B 83 -0.512 5.370 0.174 1.00 0.30 H new ATOM 0 HA ALA B 83 1.439 6.767 1.631 1.00 0.36 H new ATOM 0 HB1 ALA B 83 2.758 4.714 1.314 1.00 0.40 H new ATOM 0 HB2 ALA B 83 1.075 4.354 1.766 1.00 0.40 H new ATOM 0 HB3 ALA B 83 1.603 4.166 0.077 1.00 0.40 H new ATOM 2962 N MET B 84 2.009 6.602 -1.604 1.00 0.37 N ATOM 2963 CA MET B 84 2.767 7.237 -2.683 1.00 0.43 C ATOM 2964 C MET B 84 2.573 8.742 -2.648 1.00 0.34 C ATOM 2965 O MET B 84 3.532 9.485 -2.490 1.00 0.37 O ATOM 2966 CB MET B 84 2.341 6.696 -4.050 1.00 0.64 C ATOM 2967 CG MET B 84 2.469 5.190 -4.177 1.00 0.44 C ATOM 2968 SD MET B 84 2.303 4.611 -5.880 1.00 1.00 S ATOM 2969 CE MET B 84 0.588 4.996 -6.225 1.00 1.26 C ATOM 0 H MET B 84 1.276 5.968 -1.922 1.00 0.37 H new ATOM 0 HA MET B 84 3.821 7.004 -2.532 1.00 0.43 H new ATOM 0 HB2 MET B 84 1.306 6.981 -4.237 1.00 0.64 H new ATOM 0 HB3 MET B 84 2.946 7.170 -4.823 1.00 0.64 H new ATOM 0 HG2 MET B 84 3.437 4.879 -3.786 1.00 0.44 H new ATOM 0 HG3 MET B 84 1.707 4.712 -3.560 1.00 0.44 H new ATOM 0 HE1 MET B 84 0.378 4.809 -7.278 1.00 1.26 H new ATOM 0 HE2 MET B 84 -0.057 4.369 -5.609 1.00 1.26 H new ATOM 0 HE3 MET B 84 0.398 6.045 -5.998 1.00 1.26 H new ATOM 2979 N MET B 85 1.328 9.189 -2.764 1.00 0.33 N ATOM 2980 CA MET B 85 1.032 10.615 -2.801 1.00 0.35 C ATOM 2981 C MET B 85 1.629 11.317 -1.580 1.00 0.35 C ATOM 2982 O MET B 85 2.203 12.394 -1.696 1.00 0.42 O ATOM 2983 CB MET B 85 -0.484 10.853 -2.900 1.00 0.39 C ATOM 2984 CG MET B 85 -1.235 10.553 -1.630 1.00 1.36 C ATOM 2985 SD MET B 85 -1.489 12.013 -0.601 1.00 2.66 S ATOM 2986 CE MET B 85 -2.403 11.314 0.772 1.00 3.35 C ATOM 0 H MET B 85 0.509 8.585 -2.834 1.00 0.33 H new ATOM 0 HA MET B 85 1.492 11.043 -3.691 1.00 0.35 H new ATOM 0 HB2 MET B 85 -0.661 11.892 -3.178 1.00 0.39 H new ATOM 0 HB3 MET B 85 -0.887 10.235 -3.703 1.00 0.39 H new ATOM 0 HG2 MET B 85 -2.203 10.119 -1.880 1.00 1.36 H new ATOM 0 HG3 MET B 85 -0.687 9.803 -1.059 1.00 1.36 H new ATOM 0 HE1 MET B 85 -2.801 12.118 1.391 1.00 3.35 H new ATOM 0 HE2 MET B 85 -3.226 10.709 0.391 1.00 3.35 H new ATOM 0 HE3 MET B 85 -1.740 10.689 1.370 1.00 3.35 H new ATOM 2996 N SER B 86 1.551 10.664 -0.425 1.00 0.33 N ATOM 2997 CA SER B 86 2.066 11.226 0.811 1.00 0.39 C ATOM 2998 C SER B 86 3.588 11.340 0.763 1.00 0.43 C ATOM 2999 O SER B 86 4.166 12.240 1.368 1.00 0.57 O ATOM 3000 CB SER B 86 1.634 10.363 2.004 1.00 0.43 C ATOM 3001 OG SER B 86 1.907 11.009 3.238 1.00 1.25 O ATOM 0 H SER B 86 1.133 9.739 -0.323 1.00 0.33 H new ATOM 0 HA SER B 86 1.653 12.228 0.931 1.00 0.39 H new ATOM 0 HB2 SER B 86 0.568 10.148 1.932 1.00 0.43 H new ATOM 0 HB3 SER B 86 2.155 9.406 1.970 1.00 0.43 H new ATOM 0 HG SER B 86 2.399 10.398 3.825 1.00 1.25 H new ATOM 3007 N ASN B 87 4.242 10.441 0.034 1.00 0.40 N ATOM 3008 CA ASN B 87 5.698 10.445 -0.028 1.00 0.51 C ATOM 3009 C ASN B 87 6.206 11.428 -1.084 1.00 0.44 C ATOM 3010 O ASN B 87 7.228 12.112 -0.890 1.00 0.53 O ATOM 3011 CB ASN B 87 6.248 9.012 -0.222 1.00 0.69 C ATOM 3012 CG ASN B 87 6.092 8.373 -1.608 1.00 1.43 C ATOM 3013 OD1 ASN B 87 5.746 7.202 -1.707 1.00 2.36 O ATOM 3014 ND2 ASN B 87 6.400 9.090 -2.673 1.00 1.49 N ATOM 0 H ASN B 87 3.793 9.709 -0.516 1.00 0.40 H new ATOM 0 HA ASN B 87 6.083 10.799 0.928 1.00 0.51 H new ATOM 0 HB2 ASN B 87 7.310 9.023 0.025 1.00 0.69 H new ATOM 0 HB3 ASN B 87 5.758 8.363 0.504 1.00 0.69 H new ATOM 0 HD21 ASN B 87 6.352 8.670 -3.601 1.00 1.49 H new ATOM 0 HD22 ASN B 87 6.686 10.063 -2.567 1.00 1.49 H new ATOM 3021 N GLU B 88 5.500 11.512 -2.202 1.00 0.37 N ATOM 3022 CA GLU B 88 5.844 12.475 -3.232 1.00 0.42 C ATOM 3023 C GLU B 88 5.649 13.875 -2.669 1.00 0.51 C ATOM 3024 O GLU B 88 6.469 14.769 -2.877 1.00 0.66 O ATOM 3025 CB GLU B 88 4.991 12.278 -4.491 1.00 0.48 C ATOM 3026 CG GLU B 88 4.579 10.835 -4.751 1.00 0.51 C ATOM 3027 CD GLU B 88 4.155 10.604 -6.185 1.00 0.91 C ATOM 3028 OE1 GLU B 88 5.035 10.418 -7.048 1.00 1.49 O ATOM 3029 OE2 GLU B 88 2.937 10.614 -6.457 1.00 1.74 O ATOM 0 H GLU B 88 4.691 10.928 -2.416 1.00 0.37 H new ATOM 0 HA GLU B 88 6.884 12.330 -3.524 1.00 0.42 H new ATOM 0 HB2 GLU B 88 4.093 12.890 -4.406 1.00 0.48 H new ATOM 0 HB3 GLU B 88 5.547 12.646 -5.353 1.00 0.48 H new ATOM 0 HG2 GLU B 88 5.411 10.174 -4.510 1.00 0.51 H new ATOM 0 HG3 GLU B 88 3.758 10.569 -4.085 1.00 0.51 H new ATOM 3036 N PHE B 89 4.576 14.030 -1.903 1.00 0.50 N ATOM 3037 CA PHE B 89 4.294 15.274 -1.206 1.00 0.63 C ATOM 3038 C PHE B 89 5.121 15.391 0.073 1.00 0.66 C ATOM 3039 O PHE B 89 5.159 16.451 0.699 1.00 0.79 O ATOM 3040 CB PHE B 89 2.806 15.372 -0.883 1.00 0.73 C ATOM 3041 CG PHE B 89 1.959 15.746 -2.071 1.00 1.18 C ATOM 3042 CD1 PHE B 89 2.173 16.942 -2.737 1.00 1.70 C ATOM 3043 CD2 PHE B 89 0.958 14.902 -2.526 1.00 2.16 C ATOM 3044 CE1 PHE B 89 1.405 17.290 -3.832 1.00 2.37 C ATOM 3045 CE2 PHE B 89 0.187 15.244 -3.620 1.00 2.79 C ATOM 3046 CZ PHE B 89 0.411 16.439 -4.275 1.00 2.70 C ATOM 0 H PHE B 89 3.881 13.299 -1.749 1.00 0.50 H new ATOM 0 HA PHE B 89 4.571 16.099 -1.863 1.00 0.63 H new ATOM 0 HB2 PHE B 89 2.464 14.415 -0.489 1.00 0.73 H new ATOM 0 HB3 PHE B 89 2.661 16.111 -0.095 1.00 0.73 H new ATOM 0 HD1 PHE B 89 2.950 17.611 -2.396 1.00 1.70 H new ATOM 0 HD2 PHE B 89 0.779 13.965 -2.019 1.00 2.16 H new ATOM 0 HE1 PHE B 89 1.582 18.226 -4.341 1.00 2.37 H new ATOM 0 HE2 PHE B 89 -0.590 14.577 -3.963 1.00 2.79 H new ATOM 0 HZ PHE B 89 -0.189 16.708 -5.132 1.00 2.70 H new ATOM 3056 N PHE B 90 5.781 14.300 0.463 1.00 0.60 N ATOM 3057 CA PHE B 90 6.703 14.336 1.597 1.00 0.68 C ATOM 3058 C PHE B 90 7.864 15.259 1.265 1.00 0.68 C ATOM 3059 O PHE B 90 8.350 16.001 2.117 1.00 0.79 O ATOM 3060 CB PHE B 90 7.208 12.929 1.938 1.00 0.70 C ATOM 3061 CG PHE B 90 8.169 12.875 3.091 1.00 0.85 C ATOM 3062 CD1 PHE B 90 7.706 12.832 4.396 1.00 1.46 C ATOM 3063 CD2 PHE B 90 9.538 12.858 2.869 1.00 1.53 C ATOM 3064 CE1 PHE B 90 8.587 12.775 5.457 1.00 1.59 C ATOM 3065 CE2 PHE B 90 10.424 12.801 3.926 1.00 1.64 C ATOM 3066 CZ PHE B 90 9.948 12.760 5.221 1.00 1.21 C ATOM 0 H PHE B 90 5.695 13.388 0.014 1.00 0.60 H new ATOM 0 HA PHE B 90 6.178 14.716 2.473 1.00 0.68 H new ATOM 0 HB2 PHE B 90 6.351 12.294 2.165 1.00 0.70 H new ATOM 0 HB3 PHE B 90 7.693 12.507 1.057 1.00 0.70 H new ATOM 0 HD1 PHE B 90 6.643 12.843 4.585 1.00 1.46 H new ATOM 0 HD2 PHE B 90 9.915 12.890 1.857 1.00 1.53 H new ATOM 0 HE1 PHE B 90 8.213 12.742 6.470 1.00 1.59 H new ATOM 0 HE2 PHE B 90 11.488 12.789 3.740 1.00 1.64 H new ATOM 0 HZ PHE B 90 10.639 12.716 6.049 1.00 1.21 H new ATOM 3076 N GLU B 91 8.306 15.204 0.013 1.00 0.61 N ATOM 3077 CA GLU B 91 9.257 16.196 -0.484 1.00 0.72 C ATOM 3078 C GLU B 91 8.540 17.504 -0.748 1.00 0.77 C ATOM 3079 O GLU B 91 9.028 18.584 -0.417 1.00 0.95 O ATOM 3080 CB GLU B 91 9.902 15.757 -1.791 1.00 0.82 C ATOM 3081 CG GLU B 91 10.742 14.513 -1.686 1.00 0.92 C ATOM 3082 CD GLU B 91 11.318 14.106 -3.024 1.00 1.57 C ATOM 3083 OE1 GLU B 91 10.637 13.356 -3.756 1.00 2.25 O ATOM 3084 OE2 GLU B 91 12.441 14.531 -3.344 1.00 2.22 O ATOM 0 H GLU B 91 8.028 14.497 -0.667 1.00 0.61 H new ATOM 0 HA GLU B 91 10.028 16.310 0.278 1.00 0.72 H new ATOM 0 HB2 GLU B 91 9.118 15.590 -2.530 1.00 0.82 H new ATOM 0 HB3 GLU B 91 10.524 16.570 -2.165 1.00 0.82 H new ATOM 0 HG2 GLU B 91 11.553 14.682 -0.978 1.00 0.92 H new ATOM 0 HG3 GLU B 91 10.136 13.699 -1.289 1.00 0.92 H new ATOM 3091 N GLY B 92 7.369 17.376 -1.345 1.00 0.71 N ATOM 3092 CA GLY B 92 6.647 18.520 -1.838 1.00 0.82 C ATOM 3093 C GLY B 92 6.580 18.482 -3.344 1.00 0.81 C ATOM 3094 O GLY B 92 5.826 19.224 -3.973 1.00 0.91 O ATOM 0 H GLY B 92 6.901 16.483 -1.498 1.00 0.71 H new ATOM 0 HA2 GLY B 92 5.640 18.531 -1.422 1.00 0.82 H new ATOM 0 HA3 GLY B 92 7.137 19.437 -1.511 1.00 0.82 H new ATOM 3098 N PHE B 93 7.369 17.581 -3.910 1.00 0.76 N ATOM 3099 CA PHE B 93 7.453 17.389 -5.343 1.00 0.78 C ATOM 3100 C PHE B 93 8.241 16.117 -5.607 1.00 0.69 C ATOM 3101 O PHE B 93 9.299 15.912 -5.015 1.00 0.82 O ATOM 3102 CB PHE B 93 8.135 18.586 -6.017 1.00 1.00 C ATOM 3103 CG PHE B 93 8.097 18.532 -7.520 1.00 1.67 C ATOM 3104 CD1 PHE B 93 7.030 19.074 -8.216 1.00 2.58 C ATOM 3105 CD2 PHE B 93 9.127 17.939 -8.234 1.00 2.41 C ATOM 3106 CE1 PHE B 93 6.990 19.025 -9.595 1.00 3.59 C ATOM 3107 CE2 PHE B 93 9.090 17.887 -9.613 1.00 3.46 C ATOM 3108 CZ PHE B 93 8.021 18.432 -10.295 1.00 3.90 C ATOM 0 H PHE B 93 7.975 16.957 -3.377 1.00 0.76 H new ATOM 0 HA PHE B 93 6.449 17.305 -5.760 1.00 0.78 H new ATOM 0 HB2 PHE B 93 7.653 19.504 -5.682 1.00 1.00 H new ATOM 0 HB3 PHE B 93 9.174 18.634 -5.689 1.00 1.00 H new ATOM 0 HD1 PHE B 93 6.220 19.540 -7.674 1.00 2.58 H new ATOM 0 HD2 PHE B 93 9.967 17.513 -7.706 1.00 2.41 H new ATOM 0 HE1 PHE B 93 6.152 19.451 -10.126 1.00 3.59 H new ATOM 0 HE2 PHE B 93 9.897 17.420 -10.158 1.00 3.46 H new ATOM 0 HZ PHE B 93 7.991 18.394 -11.374 1.00 3.90 H new ATOM 3118 N PRO B 94 7.722 15.229 -6.459 1.00 0.64 N ATOM 3119 CA PRO B 94 8.377 13.955 -6.762 1.00 0.61 C ATOM 3120 C PRO B 94 9.709 14.120 -7.496 1.00 0.71 C ATOM 3121 O PRO B 94 9.753 14.234 -8.722 1.00 0.90 O ATOM 3122 CB PRO B 94 7.359 13.232 -7.644 1.00 0.65 C ATOM 3123 CG PRO B 94 6.490 14.298 -8.209 1.00 0.84 C ATOM 3124 CD PRO B 94 6.446 15.388 -7.178 1.00 0.83 C ATOM 0 HA PRO B 94 8.637 13.414 -5.852 1.00 0.61 H new ATOM 0 HB2 PRO B 94 7.855 12.670 -8.436 1.00 0.65 H new ATOM 0 HB3 PRO B 94 6.775 12.517 -7.064 1.00 0.65 H new ATOM 0 HG2 PRO B 94 6.891 14.669 -9.152 1.00 0.84 H new ATOM 0 HG3 PRO B 94 5.490 13.917 -8.416 1.00 0.84 H new ATOM 0 HD2 PRO B 94 6.364 16.373 -7.638 1.00 0.83 H new ATOM 0 HD3 PRO B 94 5.592 15.275 -6.510 1.00 0.83 H new ATOM 3132 N ASP B 95 10.795 14.118 -6.732 1.00 0.71 N ATOM 3133 CA ASP B 95 12.137 14.229 -7.300 1.00 0.87 C ATOM 3134 C ASP B 95 12.901 12.920 -7.179 1.00 0.84 C ATOM 3135 O ASP B 95 13.908 12.702 -7.854 1.00 0.96 O ATOM 3136 CB ASP B 95 12.924 15.356 -6.632 1.00 1.12 C ATOM 3137 CG ASP B 95 12.574 16.725 -7.180 1.00 1.70 C ATOM 3138 OD1 ASP B 95 12.696 16.926 -8.406 1.00 2.16 O ATOM 3139 OD2 ASP B 95 12.207 17.616 -6.384 1.00 2.40 O ATOM 0 H ASP B 95 10.774 14.041 -5.715 1.00 0.71 H new ATOM 0 HA ASP B 95 12.021 14.462 -8.358 1.00 0.87 H new ATOM 0 HB2 ASP B 95 12.732 15.340 -5.559 1.00 1.12 H new ATOM 0 HB3 ASP B 95 13.991 15.178 -6.768 1.00 1.12 H new ATOM 3144 N LYS B 96 12.413 12.053 -6.316 1.00 0.81 N ATOM 3145 CA LYS B 96 12.966 10.712 -6.159 1.00 0.86 C ATOM 3146 C LYS B 96 12.400 9.809 -7.237 1.00 0.83 C ATOM 3147 O LYS B 96 12.914 8.730 -7.515 1.00 0.94 O ATOM 3148 CB LYS B 96 12.590 10.161 -4.786 1.00 0.97 C ATOM 3149 CG LYS B 96 11.152 10.478 -4.416 1.00 0.93 C ATOM 3150 CD LYS B 96 10.699 9.748 -3.165 1.00 0.65 C ATOM 3151 CE LYS B 96 9.443 10.383 -2.593 1.00 0.84 C ATOM 3152 NZ LYS B 96 9.734 11.680 -1.946 1.00 1.85 N ATOM 0 H LYS B 96 11.623 12.252 -5.702 1.00 0.81 H new ATOM 0 HA LYS B 96 14.052 10.753 -6.247 1.00 0.86 H new ATOM 0 HB2 LYS B 96 12.736 9.081 -4.777 1.00 0.97 H new ATOM 0 HB3 LYS B 96 13.258 10.579 -4.033 1.00 0.97 H new ATOM 0 HG2 LYS B 96 11.048 11.552 -4.264 1.00 0.93 H new ATOM 0 HG3 LYS B 96 10.499 10.209 -5.246 1.00 0.93 H new ATOM 0 HD2 LYS B 96 10.508 8.701 -3.399 1.00 0.65 H new ATOM 0 HD3 LYS B 96 11.494 9.768 -2.419 1.00 0.65 H new ATOM 0 HE2 LYS B 96 8.713 10.529 -3.390 1.00 0.84 H new ATOM 0 HE3 LYS B 96 8.991 9.707 -1.867 1.00 0.84 H new ATOM 0 HZ1 LYS B 96 8.981 11.905 -1.265 1.00 1.85 H new ATOM 0 HZ2 LYS B 96 10.646 11.623 -1.449 1.00 1.85 H new ATOM 0 HZ3 LYS B 96 9.780 12.426 -2.669 1.00 1.85 H new