USER MOD reduce.3.24.130724 H: found=0, std=0, add=1247, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1248 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 38 SER OG : rot 68:sc= 0.0219 USER MOD Set 1.2: A 172 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 2.1: A 23 SER OG : rot 180:sc= 0.288 USER MOD Set 2.2: A 130 LYS NZ :NH3+ -170:sc= 0.513 (180deg=0.307) USER MOD Set 3.1: A 103 GLN : amide:sc= -0.0388 X(o=-0.82,f=-0.78) USER MOD Set 3.2: A 117 GLN : amide:sc= -0.784 K(o=-0.82,f=-4.9!) USER MOD Set 4.1: A 80 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Set 4.2: A 83 THR OG1 : rot 180:sc= 0 USER MOD Set 5.1: A 45 CYS SG : rot 180:sc= -0.166 USER MOD Set 5.2: A 165 HIS : no HD1:sc= -0.207 X(o=-0.37,f=-0.29) USER MOD Single : A 21 THR OG1 : rot 180:sc= -0.399 USER MOD Single : A 22 SER OG : rot 180:sc= 0 USER MOD Single : A 28 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 GLN : amide:sc= 0 X(o=0,f=-0.086) USER MOD Single : A 32 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 THR OG1 : rot -63:sc= 0.614 USER MOD Single : A 46 ASN : amide:sc= -0.385 K(o=-0.39,f=-2.4!) USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -15:sc= 0.82! USER MOD Single : A 49 ASN : amide:sc= 0 K(o=0,f=-0.59) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 62 ASN : amide:sc= -0.0857 K(o=-0.086,f=-0.75) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=-0.46) USER MOD Single : A 67 LYS NZ :NH3+ -170:sc= 0.149 (180deg=0.121) USER MOD Single : A 68 MET CE :methyl -133:sc= -0.737 (180deg=-3.6!) USER MOD Single : A 71 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 77 SER OG : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0678) USER MOD Single : A 90 THR OG1 : rot 50:sc= -0.455 USER MOD Single : A 98 TYR OH : rot -157:sc= -3.76! USER MOD Single : A 101 TYR OH : rot 141:sc= -2.68! USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=-0.0057) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 SER OG : rot 99:sc= -2.41! USER MOD Single : A 112 GLN : amide:sc= -0.665 K(o=-0.67,f=-0.01) USER MOD Single : A 118 MET CE :methyl -163:sc= 0 (180deg=-0.268) USER MOD Single : A 119 SER OG : rot 90:sc= -1.34 USER MOD Single : A 120 THR OG1 : rot 137:sc= -4.45! USER MOD Single : A 121 LYS NZ :NH3+ -141:sc= -0.672 (180deg=-2.06!) USER MOD Single : A 125 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 128 GLN : amide:sc= -0.425 K(o=-0.43,f=-3.5!) USER MOD Single : A 129 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 132 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 133 ASN : amide:sc= -0.66 X(o=-0.66,f=-1.1!) USER MOD Single : A 138 THR OG1 : rot 180:sc= 0 USER MOD Single : A 139 THR OG1 : rot 180:sc= -0.232 USER MOD Single : A 143 THR OG1 : rot 180:sc= -0.0168 USER MOD Single : A 144 THR OG1 : rot 180:sc= 0 USER MOD Single : A 145 ASN : amide:sc= -6.74! C(o=-6.7!,f=-8.3!) USER MOD Single : A 147 SER OG : rot 180:sc= 0 USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 153 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 155 GLN : amide:sc= -3.88! C(o=-3.9!,f=-8.9!) USER MOD Single : A 156 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 157 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 160 GLN : amide:sc= -0.282 X(o=-0.28,f=-0.031) USER MOD Single : A 162 MET CE :methyl -130:sc= -10.8! (180deg=-21.5!) USER MOD Single : A 163 THR OG1 : rot 70:sc= 0.983 USER MOD Single : A 164 THR OG1 : rot 180:sc= 0 USER MOD Single : A 170 SER OG : rot -150:sc= 0 USER MOD Single : A 176 GLN : amide:sc= -0.0179 X(o=-0.018,f=-0.17) USER MOD Single : A 177 SER OG : rot 180:sc= 0 USER MOD Single : A 178 SER OG : rot 167:sc= -2.13! USER MOD Single : A 184 GLN : amide:sc= -0.354 X(o=-0.35,f=-0.095) USER MOD Single : A 185 MET CE :methyl 172:sc= -0.381 (180deg=-0.463) USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 21 20.417 9.872 2.421 1.00 2.30 N ATOM 21 CA THR A 21 20.677 9.038 1.214 1.00 2.00 C ATOM 22 C THR A 21 19.406 8.950 0.364 1.00 1.57 C ATOM 23 O THR A 21 18.348 9.402 0.760 1.00 1.57 O ATOM 24 CB THR A 21 21.101 7.631 1.649 1.00 2.09 C ATOM 25 OG1 THR A 21 21.174 6.787 0.508 1.00 1.83 O ATOM 26 CG2 THR A 21 20.079 7.066 2.637 1.00 2.28 C ATOM 0 HA THR A 21 21.473 9.493 0.624 1.00 2.00 H new ATOM 0 HB THR A 21 22.077 7.680 2.131 1.00 2.09 H new ATOM 0 HG1 THR A 21 21.447 5.887 0.784 1.00 1.83 H new ATOM 0 HG21 THR A 21 20.384 6.066 2.944 1.00 2.28 H new ATOM 0 HG22 THR A 21 20.023 7.713 3.513 1.00 2.28 H new ATOM 0 HG23 THR A 21 19.100 7.016 2.160 1.00 2.28 H new ATOM 34 N SER A 22 19.502 8.371 -0.805 1.00 1.22 N ATOM 35 CA SER A 22 18.304 8.251 -1.686 1.00 0.81 C ATOM 36 C SER A 22 17.139 7.651 -0.896 1.00 0.63 C ATOM 37 O SER A 22 15.993 7.995 -1.102 1.00 0.43 O ATOM 38 CB SER A 22 18.635 7.341 -2.870 1.00 0.55 C ATOM 39 OG SER A 22 17.877 7.748 -4.002 1.00 0.98 O ATOM 0 H SER A 22 20.361 7.975 -1.187 1.00 1.22 H new ATOM 0 HA SER A 22 18.023 9.240 -2.049 1.00 0.81 H new ATOM 0 HB2 SER A 22 19.700 7.390 -3.095 1.00 0.55 H new ATOM 0 HB3 SER A 22 18.410 6.304 -2.621 1.00 0.55 H new ATOM 0 HG SER A 22 18.088 7.168 -4.763 1.00 0.98 H new ATOM 45 N SER A 23 17.425 6.757 0.009 1.00 0.80 N ATOM 46 CA SER A 23 16.337 6.137 0.815 1.00 0.81 C ATOM 47 C SER A 23 15.685 7.206 1.691 1.00 0.80 C ATOM 48 O SER A 23 14.479 7.266 1.817 1.00 0.63 O ATOM 49 CB SER A 23 16.921 5.039 1.701 1.00 1.17 C ATOM 50 OG SER A 23 17.157 3.879 0.915 1.00 1.76 O ATOM 0 H SER A 23 18.366 6.429 0.225 1.00 0.80 H new ATOM 0 HA SER A 23 15.590 5.705 0.149 1.00 0.81 H new ATOM 0 HB2 SER A 23 17.851 5.379 2.157 1.00 1.17 H new ATOM 0 HB3 SER A 23 16.233 4.808 2.515 1.00 1.17 H new ATOM 0 HG SER A 23 17.534 3.172 1.480 1.00 1.76 H new ATOM 56 N GLU A 24 16.473 8.055 2.297 1.00 1.06 N ATOM 57 CA GLU A 24 15.890 9.123 3.158 1.00 1.15 C ATOM 58 C GLU A 24 14.869 9.915 2.344 1.00 0.99 C ATOM 59 O GLU A 24 13.791 10.225 2.809 1.00 1.03 O ATOM 60 CB GLU A 24 17.000 10.064 3.635 1.00 1.42 C ATOM 61 CG GLU A 24 17.722 9.441 4.833 1.00 2.37 C ATOM 62 CD GLU A 24 16.726 9.225 5.974 1.00 2.98 C ATOM 63 OE1 GLU A 24 15.667 9.829 5.935 1.00 2.97 O ATOM 64 OE2 GLU A 24 17.039 8.456 6.869 1.00 3.80 O ATOM 0 H GLU A 24 17.491 8.054 2.233 1.00 1.06 H new ATOM 0 HA GLU A 24 15.405 8.672 4.024 1.00 1.15 H new ATOM 0 HB2 GLU A 24 17.708 10.247 2.826 1.00 1.42 H new ATOM 0 HB3 GLU A 24 16.577 11.029 3.914 1.00 1.42 H new ATOM 0 HG2 GLU A 24 18.173 8.491 4.545 1.00 2.37 H new ATOM 0 HG3 GLU A 24 18.532 10.092 5.162 1.00 2.37 H new ATOM 71 N ARG A 25 15.200 10.235 1.123 1.00 0.90 N ATOM 72 CA ARG A 25 14.243 10.996 0.276 1.00 0.95 C ATOM 73 C ARG A 25 13.013 10.124 0.010 1.00 0.73 C ATOM 74 O ARG A 25 11.899 10.607 -0.033 1.00 0.92 O ATOM 75 CB ARG A 25 14.917 11.369 -1.048 1.00 1.06 C ATOM 76 CG ARG A 25 15.386 12.826 -0.988 1.00 1.48 C ATOM 77 CD ARG A 25 16.900 12.890 -1.195 1.00 2.65 C ATOM 78 NE ARG A 25 17.197 13.503 -2.521 1.00 2.23 N ATOM 79 CZ ARG A 25 17.264 12.752 -3.586 1.00 2.28 C ATOM 80 NH1 ARG A 25 16.192 12.161 -4.037 1.00 2.49 N ATOM 81 NH2 ARG A 25 18.405 12.592 -4.200 1.00 3.11 N ATOM 0 H ARG A 25 16.088 10.003 0.678 1.00 0.90 H new ATOM 0 HA ARG A 25 13.938 11.909 0.787 1.00 0.95 H new ATOM 0 HB2 ARG A 25 15.765 10.710 -1.235 1.00 1.06 H new ATOM 0 HB3 ARG A 25 14.219 11.234 -1.875 1.00 1.06 H new ATOM 0 HG2 ARG A 25 14.880 13.413 -1.754 1.00 1.48 H new ATOM 0 HG3 ARG A 25 15.122 13.264 -0.025 1.00 1.48 H new ATOM 0 HD2 ARG A 25 17.362 13.476 -0.400 1.00 2.65 H new ATOM 0 HD3 ARG A 25 17.327 11.889 -1.142 1.00 2.65 H new ATOM 0 HE ARG A 25 17.348 14.509 -2.596 1.00 2.23 H new ATOM 0 HH11 ARG A 25 15.301 12.286 -3.557 1.00 2.49 H new ATOM 0 HH12 ARG A 25 16.245 11.574 -4.870 1.00 2.49 H new ATOM 0 HH21 ARG A 25 19.243 13.054 -3.847 1.00 3.11 H new ATOM 0 HH22 ARG A 25 18.458 12.005 -5.033 1.00 3.11 H new ATOM 95 N ILE A 26 13.201 8.840 -0.158 1.00 0.36 N ATOM 96 CA ILE A 26 12.031 7.950 -0.406 1.00 0.32 C ATOM 97 C ILE A 26 11.082 8.054 0.796 1.00 0.27 C ATOM 98 O ILE A 26 9.878 7.968 0.656 1.00 0.33 O ATOM 99 CB ILE A 26 12.519 6.497 -0.618 1.00 0.37 C ATOM 100 CG1 ILE A 26 13.039 6.365 -2.060 1.00 0.54 C ATOM 101 CG2 ILE A 26 11.374 5.488 -0.389 1.00 0.74 C ATOM 102 CD1 ILE A 26 13.404 4.907 -2.368 1.00 0.35 C ATOM 0 H ILE A 26 14.108 8.374 -0.134 1.00 0.36 H new ATOM 0 HA ILE A 26 11.497 8.254 -1.306 1.00 0.32 H new ATOM 0 HB ILE A 26 13.310 6.278 0.099 1.00 0.37 H new ATOM 0 HG12 ILE A 26 12.279 6.711 -2.760 1.00 0.54 H new ATOM 0 HG13 ILE A 26 13.913 7.002 -2.197 1.00 0.54 H new ATOM 0 HG21 ILE A 26 11.745 4.475 -0.545 1.00 0.74 H new ATOM 0 HG22 ILE A 26 11.002 5.585 0.631 1.00 0.74 H new ATOM 0 HG23 ILE A 26 10.565 5.690 -1.091 1.00 0.74 H new ATOM 0 HD11 ILE A 26 13.770 4.832 -3.392 1.00 0.35 H new ATOM 0 HD12 ILE A 26 14.181 4.573 -1.680 1.00 0.35 H new ATOM 0 HD13 ILE A 26 12.521 4.278 -2.251 1.00 0.35 H new ATOM 114 N ASP A 27 11.611 8.251 1.972 1.00 0.21 N ATOM 115 CA ASP A 27 10.732 8.373 3.168 1.00 0.20 C ATOM 116 C ASP A 27 9.796 9.567 2.971 1.00 0.23 C ATOM 117 O ASP A 27 8.636 9.530 3.334 1.00 0.32 O ATOM 118 CB ASP A 27 11.591 8.597 4.415 1.00 0.26 C ATOM 119 CG ASP A 27 10.689 8.812 5.633 1.00 0.47 C ATOM 120 OD1 ASP A 27 9.969 9.797 5.646 1.00 0.64 O ATOM 121 OD2 ASP A 27 10.733 7.988 6.530 1.00 1.12 O ATOM 0 H ASP A 27 12.611 8.333 2.156 1.00 0.21 H new ATOM 0 HA ASP A 27 10.149 7.461 3.295 1.00 0.20 H new ATOM 0 HB2 ASP A 27 12.241 7.738 4.579 1.00 0.26 H new ATOM 0 HB3 ASP A 27 12.237 9.463 4.272 1.00 0.26 H new ATOM 126 N LYS A 28 10.298 10.627 2.400 1.00 0.16 N ATOM 127 CA LYS A 28 9.451 11.828 2.178 1.00 0.18 C ATOM 128 C LYS A 28 8.394 11.524 1.118 1.00 0.23 C ATOM 129 O LYS A 28 7.345 12.138 1.077 1.00 0.26 O ATOM 130 CB LYS A 28 10.332 12.985 1.697 1.00 0.14 C ATOM 131 CG LYS A 28 9.570 14.301 1.837 1.00 0.97 C ATOM 132 CD LYS A 28 9.180 14.502 3.301 1.00 2.26 C ATOM 133 CE LYS A 28 8.969 15.992 3.575 1.00 2.71 C ATOM 134 NZ LYS A 28 7.709 16.184 4.345 1.00 4.01 N ATOM 0 H LYS A 28 11.262 10.711 2.077 1.00 0.16 H new ATOM 0 HA LYS A 28 8.959 12.102 3.111 1.00 0.18 H new ATOM 0 HB2 LYS A 28 11.252 13.022 2.280 1.00 0.14 H new ATOM 0 HB3 LYS A 28 10.620 12.828 0.657 1.00 0.14 H new ATOM 0 HG2 LYS A 28 10.188 15.131 1.496 1.00 0.97 H new ATOM 0 HG3 LYS A 28 8.679 14.288 1.209 1.00 0.97 H new ATOM 0 HD2 LYS A 28 8.268 13.948 3.524 1.00 2.26 H new ATOM 0 HD3 LYS A 28 9.960 14.109 3.953 1.00 2.26 H new ATOM 0 HE2 LYS A 28 9.814 16.392 4.135 1.00 2.71 H new ATOM 0 HE3 LYS A 28 8.920 16.542 2.635 1.00 2.71 H new ATOM 0 HZ1 LYS A 28 7.567 17.197 4.531 1.00 4.01 H new ATOM 0 HZ2 LYS A 28 6.907 15.817 3.795 1.00 4.01 H new ATOM 0 HZ3 LYS A 28 7.773 15.672 5.248 1.00 4.01 H new ATOM 148 N GLN A 29 8.663 10.586 0.254 1.00 0.26 N ATOM 149 CA GLN A 29 7.676 10.251 -0.807 1.00 0.30 C ATOM 150 C GLN A 29 6.620 9.287 -0.245 1.00 0.23 C ATOM 151 O GLN A 29 5.510 9.216 -0.741 1.00 0.31 O ATOM 152 CB GLN A 29 8.409 9.622 -1.995 1.00 0.32 C ATOM 153 CG GLN A 29 8.474 10.633 -3.143 1.00 0.69 C ATOM 154 CD GLN A 29 9.364 11.811 -2.736 1.00 1.60 C ATOM 155 OE1 GLN A 29 8.877 12.821 -2.267 1.00 2.71 O ATOM 156 NE2 GLN A 29 10.656 11.725 -2.901 1.00 2.05 N ATOM 0 H GLN A 29 9.523 10.038 0.237 1.00 0.26 H new ATOM 0 HA GLN A 29 7.170 11.155 -1.144 1.00 0.30 H new ATOM 0 HB2 GLN A 29 9.415 9.324 -1.700 1.00 0.32 H new ATOM 0 HB3 GLN A 29 7.892 8.719 -2.319 1.00 0.32 H new ATOM 0 HG2 GLN A 29 8.871 10.156 -4.039 1.00 0.69 H new ATOM 0 HG3 GLN A 29 7.472 10.987 -3.387 1.00 0.69 H new ATOM 0 HE21 GLN A 29 11.065 10.877 -3.295 1.00 2.05 H new ATOM 0 HE22 GLN A 29 11.257 12.505 -2.636 1.00 2.05 H new ATOM 165 N ILE A 30 6.932 8.569 0.807 1.00 0.31 N ATOM 166 CA ILE A 30 5.908 7.652 1.395 1.00 0.29 C ATOM 167 C ILE A 30 4.912 8.506 2.168 1.00 0.32 C ATOM 168 O ILE A 30 3.716 8.302 2.108 1.00 0.27 O ATOM 169 CB ILE A 30 6.544 6.657 2.362 1.00 0.34 C ATOM 170 CG1 ILE A 30 7.662 5.866 1.656 1.00 0.46 C ATOM 171 CG2 ILE A 30 5.463 5.711 2.889 1.00 0.35 C ATOM 172 CD1 ILE A 30 7.075 4.730 0.803 1.00 0.41 C ATOM 0 H ILE A 30 7.837 8.577 1.277 1.00 0.31 H new ATOM 0 HA ILE A 30 5.428 7.092 0.593 1.00 0.29 H new ATOM 0 HB ILE A 30 6.989 7.194 3.199 1.00 0.34 H new ATOM 0 HG12 ILE A 30 8.245 6.537 1.024 1.00 0.46 H new ATOM 0 HG13 ILE A 30 8.345 5.453 2.398 1.00 0.46 H new ATOM 0 HG21 ILE A 30 5.910 4.997 3.581 1.00 0.35 H new ATOM 0 HG22 ILE A 30 4.696 6.287 3.407 1.00 0.35 H new ATOM 0 HG23 ILE A 30 5.011 5.174 2.055 1.00 0.35 H new ATOM 0 HD11 ILE A 30 7.884 4.186 0.315 1.00 0.41 H new ATOM 0 HD12 ILE A 30 6.513 4.048 1.442 1.00 0.41 H new ATOM 0 HD13 ILE A 30 6.411 5.149 0.047 1.00 0.41 H new ATOM 184 N ARG A 31 5.402 9.481 2.890 1.00 0.45 N ATOM 185 CA ARG A 31 4.488 10.369 3.654 1.00 0.52 C ATOM 186 C ARG A 31 3.471 10.963 2.678 1.00 0.45 C ATOM 187 O ARG A 31 2.373 11.330 3.049 1.00 0.42 O ATOM 188 CB ARG A 31 5.292 11.489 4.317 1.00 0.68 C ATOM 189 CG ARG A 31 4.461 12.113 5.440 1.00 0.85 C ATOM 190 CD ARG A 31 4.355 13.623 5.222 1.00 0.80 C ATOM 191 NE ARG A 31 5.472 14.306 5.935 1.00 0.54 N ATOM 192 CZ ARG A 31 5.216 15.105 6.933 1.00 0.72 C ATOM 193 NH1 ARG A 31 4.626 16.250 6.718 1.00 1.36 N ATOM 194 NH2 ARG A 31 5.548 14.760 8.147 1.00 1.76 N ATOM 0 H ARG A 31 6.395 9.697 2.981 1.00 0.45 H new ATOM 0 HA ARG A 31 3.974 9.804 4.431 1.00 0.52 H new ATOM 0 HB2 ARG A 31 6.226 11.094 4.717 1.00 0.68 H new ATOM 0 HB3 ARG A 31 5.556 12.248 3.580 1.00 0.68 H new ATOM 0 HG2 ARG A 31 3.466 11.668 5.460 1.00 0.85 H new ATOM 0 HG3 ARG A 31 4.923 11.906 6.406 1.00 0.85 H new ATOM 0 HD2 ARG A 31 4.395 13.851 4.157 1.00 0.80 H new ATOM 0 HD3 ARG A 31 3.396 13.988 5.590 1.00 0.80 H new ATOM 0 HE ARG A 31 6.436 14.148 5.642 1.00 0.54 H new ATOM 0 HH11 ARG A 31 4.365 16.519 5.769 1.00 1.36 H new ATOM 0 HH12 ARG A 31 4.426 16.875 7.499 1.00 1.36 H new ATOM 0 HH21 ARG A 31 6.008 13.865 8.315 1.00 1.76 H new ATOM 0 HH22 ARG A 31 5.348 15.385 8.928 1.00 1.76 H new ATOM 208 N TYR A 32 3.822 11.026 1.419 1.00 0.43 N ATOM 209 CA TYR A 32 2.876 11.552 0.406 1.00 0.38 C ATOM 210 C TYR A 32 1.877 10.443 0.101 1.00 0.34 C ATOM 211 O TYR A 32 0.691 10.672 -0.027 1.00 0.38 O ATOM 212 CB TYR A 32 3.636 11.930 -0.866 1.00 0.38 C ATOM 213 CG TYR A 32 2.822 12.915 -1.669 1.00 0.57 C ATOM 214 CD1 TYR A 32 1.863 12.456 -2.579 1.00 1.71 C ATOM 215 CD2 TYR A 32 3.028 14.290 -1.503 1.00 0.89 C ATOM 216 CE1 TYR A 32 1.109 13.370 -3.323 1.00 2.09 C ATOM 217 CE2 TYR A 32 2.275 15.205 -2.248 1.00 0.82 C ATOM 218 CZ TYR A 32 1.314 14.746 -3.158 1.00 1.29 C ATOM 219 OH TYR A 32 0.572 15.649 -3.892 1.00 1.67 O ATOM 0 H TYR A 32 4.728 10.733 1.054 1.00 0.43 H new ATOM 0 HA TYR A 32 2.366 12.441 0.777 1.00 0.38 H new ATOM 0 HB2 TYR A 32 4.602 12.365 -0.609 1.00 0.38 H new ATOM 0 HB3 TYR A 32 3.836 11.039 -1.460 1.00 0.38 H new ATOM 0 HD1 TYR A 32 1.705 11.395 -2.707 1.00 1.71 H new ATOM 0 HD2 TYR A 32 3.768 14.644 -0.800 1.00 0.89 H new ATOM 0 HE1 TYR A 32 0.369 13.015 -4.025 1.00 2.09 H new ATOM 0 HE2 TYR A 32 2.435 16.266 -2.121 1.00 0.82 H new ATOM 0 HH TYR A 32 0.839 16.561 -3.655 1.00 1.67 H new ATOM 229 N ILE A 33 2.356 9.227 0.004 1.00 0.29 N ATOM 230 CA ILE A 33 1.440 8.083 -0.269 1.00 0.28 C ATOM 231 C ILE A 33 0.281 8.122 0.730 1.00 0.27 C ATOM 232 O ILE A 33 -0.864 7.917 0.381 1.00 0.28 O ATOM 233 CB ILE A 33 2.194 6.763 -0.114 1.00 0.31 C ATOM 234 CG1 ILE A 33 3.390 6.737 -1.069 1.00 0.35 C ATOM 235 CG2 ILE A 33 1.252 5.608 -0.454 1.00 0.25 C ATOM 236 CD1 ILE A 33 4.121 5.400 -0.930 1.00 0.53 C ATOM 0 H ILE A 33 3.341 8.980 0.102 1.00 0.29 H new ATOM 0 HA ILE A 33 1.059 8.160 -1.287 1.00 0.28 H new ATOM 0 HB ILE A 33 2.549 6.664 0.912 1.00 0.31 H new ATOM 0 HG12 ILE A 33 3.052 6.875 -2.096 1.00 0.35 H new ATOM 0 HG13 ILE A 33 4.068 7.560 -0.843 1.00 0.35 H new ATOM 0 HG21 ILE A 33 1.782 4.662 -0.346 1.00 0.25 H new ATOM 0 HG22 ILE A 33 0.397 5.624 0.222 1.00 0.25 H new ATOM 0 HG23 ILE A 33 0.903 5.713 -1.481 1.00 0.25 H new ATOM 0 HD11 ILE A 33 4.973 5.379 -1.609 1.00 0.53 H new ATOM 0 HD12 ILE A 33 4.471 5.282 0.095 1.00 0.53 H new ATOM 0 HD13 ILE A 33 3.440 4.586 -1.177 1.00 0.53 H new ATOM 248 N LEU A 34 0.575 8.395 1.974 1.00 0.25 N ATOM 249 CA LEU A 34 -0.502 8.464 3.000 1.00 0.25 C ATOM 250 C LEU A 34 -1.315 9.737 2.776 1.00 0.19 C ATOM 251 O LEU A 34 -2.517 9.759 2.950 1.00 0.16 O ATOM 252 CB LEU A 34 0.121 8.508 4.396 1.00 0.31 C ATOM 253 CG LEU A 34 -0.103 7.173 5.103 1.00 0.50 C ATOM 254 CD1 LEU A 34 1.134 6.292 4.928 1.00 0.61 C ATOM 255 CD2 LEU A 34 -0.345 7.419 6.594 1.00 0.75 C ATOM 0 H LEU A 34 1.517 8.573 2.323 1.00 0.25 H new ATOM 0 HA LEU A 34 -1.145 7.587 2.917 1.00 0.25 H new ATOM 0 HB2 LEU A 34 1.188 8.716 4.322 1.00 0.31 H new ATOM 0 HB3 LEU A 34 -0.322 9.317 4.977 1.00 0.31 H new ATOM 0 HG LEU A 34 -0.971 6.674 4.671 1.00 0.50 H new ATOM 0 HD11 LEU A 34 0.976 5.339 5.432 1.00 0.61 H new ATOM 0 HD12 LEU A 34 1.309 6.117 3.866 1.00 0.61 H new ATOM 0 HD13 LEU A 34 2.001 6.792 5.361 1.00 0.61 H new ATOM 0 HD21 LEU A 34 -0.505 6.466 7.099 1.00 0.75 H new ATOM 0 HD22 LEU A 34 0.523 7.917 7.026 1.00 0.75 H new ATOM 0 HD23 LEU A 34 -1.226 8.049 6.721 1.00 0.75 H new ATOM 267 N ASP A 35 -0.665 10.801 2.381 1.00 0.22 N ATOM 268 CA ASP A 35 -1.397 12.076 2.132 1.00 0.22 C ATOM 269 C ASP A 35 -2.538 11.796 1.160 1.00 0.21 C ATOM 270 O ASP A 35 -3.573 12.429 1.193 1.00 0.16 O ATOM 271 CB ASP A 35 -0.442 13.102 1.520 1.00 0.36 C ATOM 272 CG ASP A 35 -0.821 14.503 1.996 1.00 0.62 C ATOM 273 OD1 ASP A 35 -2.005 14.751 2.160 1.00 1.42 O ATOM 274 OD2 ASP A 35 0.077 15.306 2.187 1.00 0.51 O ATOM 0 H ASP A 35 0.341 10.841 2.220 1.00 0.22 H new ATOM 0 HA ASP A 35 -1.792 12.471 3.068 1.00 0.22 H new ATOM 0 HB2 ASP A 35 0.585 12.875 1.807 1.00 0.36 H new ATOM 0 HB3 ASP A 35 -0.487 13.052 0.432 1.00 0.36 H new ATOM 279 N GLY A 36 -2.351 10.833 0.305 1.00 0.29 N ATOM 280 CA GLY A 36 -3.415 10.479 -0.665 1.00 0.32 C ATOM 281 C GLY A 36 -4.461 9.619 0.042 1.00 0.30 C ATOM 282 O GLY A 36 -5.638 9.887 -0.013 1.00 0.29 O ATOM 0 H GLY A 36 -1.501 10.274 0.238 1.00 0.29 H new ATOM 0 HA2 GLY A 36 -3.877 11.382 -1.065 1.00 0.32 H new ATOM 0 HA3 GLY A 36 -2.990 9.937 -1.510 1.00 0.32 H new ATOM 286 N ILE A 37 -4.032 8.579 0.702 1.00 0.33 N ATOM 287 CA ILE A 37 -4.993 7.684 1.407 1.00 0.31 C ATOM 288 C ILE A 37 -5.928 8.492 2.309 1.00 0.28 C ATOM 289 O ILE A 37 -7.026 8.064 2.606 1.00 0.27 O ATOM 290 CB ILE A 37 -4.237 6.669 2.263 1.00 0.33 C ATOM 291 CG1 ILE A 37 -3.225 5.909 1.401 1.00 0.31 C ATOM 292 CG2 ILE A 37 -5.242 5.677 2.850 1.00 0.36 C ATOM 293 CD1 ILE A 37 -3.951 5.249 0.230 1.00 0.23 C ATOM 0 H ILE A 37 -3.052 8.309 0.784 1.00 0.33 H new ATOM 0 HA ILE A 37 -5.583 7.166 0.651 1.00 0.31 H new ATOM 0 HB ILE A 37 -3.707 7.188 3.061 1.00 0.33 H new ATOM 0 HG12 ILE A 37 -2.460 6.592 1.031 1.00 0.31 H new ATOM 0 HG13 ILE A 37 -2.715 5.154 1.999 1.00 0.31 H new ATOM 0 HG21 ILE A 37 -4.716 4.946 3.464 1.00 0.36 H new ATOM 0 HG22 ILE A 37 -5.966 6.213 3.464 1.00 0.36 H new ATOM 0 HG23 ILE A 37 -5.762 5.164 2.041 1.00 0.36 H new ATOM 0 HD11 ILE A 37 -3.232 4.707 -0.385 1.00 0.23 H new ATOM 0 HD12 ILE A 37 -4.699 4.554 0.611 1.00 0.23 H new ATOM 0 HD13 ILE A 37 -4.440 6.014 -0.373 1.00 0.23 H new ATOM 305 N SER A 38 -5.525 9.657 2.739 1.00 0.27 N ATOM 306 CA SER A 38 -6.425 10.461 3.603 1.00 0.25 C ATOM 307 C SER A 38 -7.591 10.905 2.740 1.00 0.17 C ATOM 308 O SER A 38 -8.743 10.794 3.112 1.00 0.15 O ATOM 309 CB SER A 38 -5.680 11.683 4.144 1.00 0.29 C ATOM 310 OG SER A 38 -4.626 11.250 4.996 1.00 1.30 O ATOM 0 H SER A 38 -4.621 10.080 2.530 1.00 0.27 H new ATOM 0 HA SER A 38 -6.771 9.874 4.454 1.00 0.25 H new ATOM 0 HB2 SER A 38 -5.278 12.273 3.320 1.00 0.29 H new ATOM 0 HB3 SER A 38 -6.366 12.328 4.693 1.00 0.29 H new ATOM 0 HG SER A 38 -3.945 10.788 4.464 1.00 1.30 H new ATOM 316 N ALA A 39 -7.294 11.380 1.566 1.00 0.12 N ATOM 317 CA ALA A 39 -8.370 11.803 0.651 1.00 0.07 C ATOM 318 C ALA A 39 -8.967 10.563 -0.026 1.00 0.05 C ATOM 319 O ALA A 39 -9.955 10.646 -0.727 1.00 0.23 O ATOM 320 CB ALA A 39 -7.802 12.747 -0.410 1.00 0.15 C ATOM 0 H ALA A 39 -6.347 11.492 1.205 1.00 0.12 H new ATOM 0 HA ALA A 39 -9.146 12.324 1.212 1.00 0.07 H new ATOM 0 HB1 ALA A 39 -8.600 13.058 -1.085 1.00 0.15 H new ATOM 0 HB2 ALA A 39 -7.374 13.624 0.075 1.00 0.15 H new ATOM 0 HB3 ALA A 39 -7.027 12.232 -0.977 1.00 0.15 H new ATOM 326 N LEU A 40 -8.377 9.409 0.182 1.00 0.13 N ATOM 327 CA LEU A 40 -8.923 8.180 -0.448 1.00 0.14 C ATOM 328 C LEU A 40 -9.599 7.303 0.605 1.00 0.19 C ATOM 329 O LEU A 40 -10.162 6.276 0.290 1.00 0.24 O ATOM 330 CB LEU A 40 -7.804 7.392 -1.128 1.00 0.20 C ATOM 331 CG LEU A 40 -7.033 8.314 -2.071 1.00 0.25 C ATOM 332 CD1 LEU A 40 -5.666 7.705 -2.386 1.00 0.34 C ATOM 333 CD2 LEU A 40 -7.820 8.483 -3.366 1.00 0.22 C ATOM 0 H LEU A 40 -7.546 9.272 0.758 1.00 0.13 H new ATOM 0 HA LEU A 40 -9.659 8.473 -1.196 1.00 0.14 H new ATOM 0 HB2 LEU A 40 -7.131 6.975 -0.379 1.00 0.20 H new ATOM 0 HB3 LEU A 40 -8.222 6.552 -1.684 1.00 0.20 H new ATOM 0 HG LEU A 40 -6.895 9.284 -1.594 1.00 0.25 H new ATOM 0 HD11 LEU A 40 -5.120 8.366 -3.059 1.00 0.34 H new ATOM 0 HD12 LEU A 40 -5.101 7.581 -1.462 1.00 0.34 H new ATOM 0 HD13 LEU A 40 -5.801 6.734 -2.862 1.00 0.34 H new ATOM 0 HD21 LEU A 40 -7.273 9.141 -4.041 1.00 0.22 H new ATOM 0 HD22 LEU A 40 -7.957 7.510 -3.838 1.00 0.22 H new ATOM 0 HD23 LEU A 40 -8.794 8.919 -3.145 1.00 0.22 H new ATOM 345 N ARG A 41 -9.558 7.693 1.851 1.00 0.23 N ATOM 346 CA ARG A 41 -10.214 6.871 2.902 1.00 0.31 C ATOM 347 C ARG A 41 -11.111 7.755 3.778 1.00 0.30 C ATOM 348 O ARG A 41 -11.776 7.275 4.673 1.00 0.39 O ATOM 349 CB ARG A 41 -9.154 6.202 3.772 1.00 0.42 C ATOM 350 CG ARG A 41 -9.828 5.139 4.638 1.00 0.44 C ATOM 351 CD ARG A 41 -8.768 4.381 5.437 1.00 0.60 C ATOM 352 NE ARG A 41 -8.388 5.180 6.635 1.00 0.55 N ATOM 353 CZ ARG A 41 -7.992 4.579 7.722 1.00 0.80 C ATOM 354 NH1 ARG A 41 -7.132 3.600 7.650 1.00 2.07 N ATOM 355 NH2 ARG A 41 -8.456 4.957 8.882 1.00 0.09 N ATOM 0 H ARG A 41 -9.100 8.542 2.183 1.00 0.23 H new ATOM 0 HA ARG A 41 -10.824 6.106 2.421 1.00 0.31 H new ATOM 0 HB2 ARG A 41 -8.385 5.748 3.148 1.00 0.42 H new ATOM 0 HB3 ARG A 41 -8.659 6.942 4.400 1.00 0.42 H new ATOM 0 HG2 ARG A 41 -10.543 5.607 5.315 1.00 0.44 H new ATOM 0 HG3 ARG A 41 -10.389 4.447 4.011 1.00 0.44 H new ATOM 0 HD2 ARG A 41 -9.153 3.408 5.742 1.00 0.60 H new ATOM 0 HD3 ARG A 41 -7.891 4.196 4.816 1.00 0.60 H new ATOM 0 HE ARG A 41 -8.438 6.198 6.605 1.00 0.55 H new ATOM 0 HH11 ARG A 41 -6.770 3.305 6.743 1.00 2.07 H new ATOM 0 HH12 ARG A 41 -6.822 3.130 8.500 1.00 2.07 H new ATOM 0 HH21 ARG A 41 -9.128 5.722 8.938 1.00 0.09 H new ATOM 0 HH22 ARG A 41 -8.147 4.487 9.733 1.00 0.09 H new ATOM 369 N LYS A 42 -11.147 9.037 3.531 1.00 0.23 N ATOM 370 CA LYS A 42 -12.012 9.922 4.349 1.00 0.28 C ATOM 371 C LYS A 42 -13.431 9.857 3.796 1.00 0.18 C ATOM 372 O LYS A 42 -14.401 9.889 4.526 1.00 0.13 O ATOM 373 CB LYS A 42 -11.492 11.358 4.259 1.00 0.38 C ATOM 374 CG LYS A 42 -12.131 12.207 5.361 1.00 0.47 C ATOM 375 CD LYS A 42 -11.812 13.683 5.117 1.00 0.28 C ATOM 376 CE LYS A 42 -12.479 14.537 6.197 1.00 0.89 C ATOM 377 NZ LYS A 42 -12.951 15.817 5.597 1.00 1.66 N ATOM 0 H LYS A 42 -10.614 9.505 2.798 1.00 0.23 H new ATOM 0 HA LYS A 42 -12.004 9.601 5.391 1.00 0.28 H new ATOM 0 HB2 LYS A 42 -10.407 11.369 4.361 1.00 0.38 H new ATOM 0 HB3 LYS A 42 -11.725 11.779 3.281 1.00 0.38 H new ATOM 0 HG2 LYS A 42 -13.210 12.054 5.373 1.00 0.47 H new ATOM 0 HG3 LYS A 42 -11.755 11.899 6.337 1.00 0.47 H new ATOM 0 HD2 LYS A 42 -10.733 13.839 5.130 1.00 0.28 H new ATOM 0 HD3 LYS A 42 -12.166 13.984 4.131 1.00 0.28 H new ATOM 0 HE2 LYS A 42 -13.318 13.997 6.636 1.00 0.89 H new ATOM 0 HE3 LYS A 42 -11.774 14.739 7.003 1.00 0.89 H new ATOM 0 HZ1 LYS A 42 -13.405 16.398 6.331 1.00 1.66 H new ATOM 0 HZ2 LYS A 42 -12.141 16.333 5.198 1.00 1.66 H new ATOM 0 HZ3 LYS A 42 -13.638 15.614 4.843 1.00 1.66 H new ATOM 391 N GLU A 43 -13.556 9.756 2.503 1.00 0.15 N ATOM 392 CA GLU A 43 -14.901 9.684 1.886 1.00 0.09 C ATOM 393 C GLU A 43 -15.366 8.231 1.862 1.00 0.14 C ATOM 394 O GLU A 43 -16.477 7.919 2.264 1.00 0.19 O ATOM 395 CB GLU A 43 -14.827 10.220 0.454 1.00 0.16 C ATOM 396 CG GLU A 43 -15.986 11.188 0.209 1.00 0.44 C ATOM 397 CD GLU A 43 -17.304 10.412 0.174 1.00 1.57 C ATOM 398 OE1 GLU A 43 -17.627 9.788 1.171 1.00 2.99 O ATOM 399 OE2 GLU A 43 -17.965 10.454 -0.849 1.00 1.48 O ATOM 0 H GLU A 43 -12.777 9.720 1.846 1.00 0.15 H new ATOM 0 HA GLU A 43 -15.605 10.282 2.464 1.00 0.09 H new ATOM 0 HB2 GLU A 43 -13.876 10.727 0.293 1.00 0.16 H new ATOM 0 HB3 GLU A 43 -14.872 9.395 -0.257 1.00 0.16 H new ATOM 0 HG2 GLU A 43 -16.017 11.941 0.996 1.00 0.44 H new ATOM 0 HG3 GLU A 43 -15.839 11.717 -0.733 1.00 0.44 H new ATOM 406 N THR A 44 -14.523 7.342 1.391 1.00 0.19 N ATOM 407 CA THR A 44 -14.900 5.901 1.325 1.00 0.31 C ATOM 408 C THR A 44 -14.579 5.212 2.651 1.00 0.30 C ATOM 409 O THR A 44 -13.935 4.182 2.696 1.00 0.30 O ATOM 410 CB THR A 44 -14.137 5.218 0.188 1.00 0.43 C ATOM 411 OG1 THR A 44 -14.522 3.853 0.114 1.00 0.56 O ATOM 412 CG2 THR A 44 -12.636 5.314 0.448 1.00 0.29 C ATOM 0 H THR A 44 -13.587 7.558 1.049 1.00 0.19 H new ATOM 0 HA THR A 44 -15.971 5.824 1.137 1.00 0.31 H new ATOM 0 HB THR A 44 -14.371 5.713 -0.755 1.00 0.43 H new ATOM 0 HG1 THR A 44 -14.266 3.396 0.942 1.00 0.56 H new ATOM 0 HG21 THR A 44 -12.094 4.827 -0.363 1.00 0.29 H new ATOM 0 HG22 THR A 44 -12.342 6.362 0.502 1.00 0.29 H new ATOM 0 HG23 THR A 44 -12.398 4.821 1.391 1.00 0.29 H new ATOM 420 N CYS A 45 -15.046 5.774 3.724 1.00 0.40 N ATOM 421 CA CYS A 45 -14.819 5.188 5.066 1.00 0.41 C ATOM 422 C CYS A 45 -15.626 6.021 6.052 1.00 0.24 C ATOM 423 O CYS A 45 -16.328 5.503 6.898 1.00 0.26 O ATOM 424 CB CYS A 45 -13.334 5.239 5.428 1.00 0.49 C ATOM 425 SG CYS A 45 -12.923 3.808 6.461 1.00 0.69 S ATOM 0 H CYS A 45 -15.589 6.637 3.726 1.00 0.40 H new ATOM 0 HA CYS A 45 -15.127 4.143 5.089 1.00 0.41 H new ATOM 0 HB2 CYS A 45 -12.727 5.236 4.523 1.00 0.49 H new ATOM 0 HB3 CYS A 45 -13.109 6.163 5.960 1.00 0.49 H new ATOM 0 HG CYS A 45 -11.661 3.844 6.770 1.00 0.69 H new ATOM 430 N ASN A 46 -15.563 7.318 5.919 1.00 0.10 N ATOM 431 CA ASN A 46 -16.356 8.186 6.820 1.00 0.15 C ATOM 432 C ASN A 46 -17.809 8.150 6.353 1.00 0.29 C ATOM 433 O ASN A 46 -18.708 7.861 7.118 1.00 0.37 O ATOM 434 CB ASN A 46 -15.834 9.624 6.759 1.00 0.40 C ATOM 435 CG ASN A 46 -16.408 10.423 7.930 1.00 0.30 C ATOM 436 OD1 ASN A 46 -17.539 10.219 8.323 1.00 0.99 O ATOM 437 ND2 ASN A 46 -15.670 11.331 8.508 1.00 0.96 N ATOM 0 H ASN A 46 -14.997 7.808 5.226 1.00 0.10 H new ATOM 0 HA ASN A 46 -16.275 7.831 7.847 1.00 0.15 H new ATOM 0 HB2 ASN A 46 -14.745 9.629 6.800 1.00 0.40 H new ATOM 0 HB3 ASN A 46 -16.120 10.086 5.814 1.00 0.40 H new ATOM 0 HD21 ASN A 46 -16.043 11.869 9.290 1.00 0.96 H new ATOM 0 HD22 ASN A 46 -14.720 11.502 8.178 1.00 0.96 H new ATOM 444 N LYS A 47 -18.048 8.431 5.099 1.00 0.44 N ATOM 445 CA LYS A 47 -19.445 8.399 4.597 1.00 0.72 C ATOM 446 C LYS A 47 -19.766 7.022 4.000 1.00 0.82 C ATOM 447 O LYS A 47 -20.881 6.761 3.595 1.00 1.08 O ATOM 448 CB LYS A 47 -19.632 9.481 3.532 1.00 0.93 C ATOM 449 CG LYS A 47 -20.516 10.599 4.088 1.00 1.33 C ATOM 450 CD LYS A 47 -19.844 11.226 5.312 1.00 2.78 C ATOM 451 CE LYS A 47 -18.986 12.414 4.872 1.00 3.84 C ATOM 452 NZ LYS A 47 -19.335 13.610 5.689 1.00 4.88 N ATOM 0 H LYS A 47 -17.339 8.679 4.408 1.00 0.44 H new ATOM 0 HA LYS A 47 -20.124 8.586 5.429 1.00 0.72 H new ATOM 0 HB2 LYS A 47 -18.664 9.883 3.233 1.00 0.93 H new ATOM 0 HB3 LYS A 47 -20.088 9.052 2.640 1.00 0.93 H new ATOM 0 HG2 LYS A 47 -20.683 11.358 3.324 1.00 1.33 H new ATOM 0 HG3 LYS A 47 -21.493 10.201 4.361 1.00 1.33 H new ATOM 0 HD2 LYS A 47 -20.599 11.554 6.026 1.00 2.78 H new ATOM 0 HD3 LYS A 47 -19.226 10.486 5.820 1.00 2.78 H new ATOM 0 HE2 LYS A 47 -17.929 12.176 4.990 1.00 3.84 H new ATOM 0 HE3 LYS A 47 -19.150 12.622 3.815 1.00 3.84 H new ATOM 0 HZ1 LYS A 47 -18.752 14.417 5.390 1.00 4.88 H new ATOM 0 HZ2 LYS A 47 -20.340 13.841 5.555 1.00 4.88 H new ATOM 0 HZ3 LYS A 47 -19.157 13.408 6.694 1.00 4.88 H new ATOM 466 N SER A 48 -18.801 6.144 3.927 1.00 0.82 N ATOM 467 CA SER A 48 -19.062 4.797 3.339 1.00 1.07 C ATOM 468 C SER A 48 -19.683 3.864 4.383 1.00 1.07 C ATOM 469 O SER A 48 -19.963 2.717 4.107 1.00 1.49 O ATOM 470 CB SER A 48 -17.746 4.197 2.847 1.00 1.07 C ATOM 471 OG SER A 48 -17.961 2.848 2.455 1.00 1.33 O ATOM 0 H SER A 48 -17.846 6.300 4.248 1.00 0.82 H new ATOM 0 HA SER A 48 -19.758 4.907 2.507 1.00 1.07 H new ATOM 0 HB2 SER A 48 -17.362 4.775 2.007 1.00 1.07 H new ATOM 0 HB3 SER A 48 -16.995 4.243 3.636 1.00 1.07 H new ATOM 0 HG SER A 48 -18.819 2.536 2.812 1.00 1.33 H new ATOM 477 N ASN A 49 -19.889 4.330 5.586 1.00 1.03 N ATOM 478 CA ASN A 49 -20.492 3.455 6.637 1.00 1.10 C ATOM 479 C ASN A 49 -19.780 2.095 6.699 1.00 0.96 C ATOM 480 O ASN A 49 -20.307 1.143 7.241 1.00 1.05 O ATOM 481 CB ASN A 49 -21.967 3.228 6.310 1.00 1.46 C ATOM 482 CG ASN A 49 -22.732 4.545 6.455 1.00 2.18 C ATOM 483 OD1 ASN A 49 -22.526 5.280 7.401 1.00 2.70 O ATOM 484 ND2 ASN A 49 -23.611 4.878 5.549 1.00 2.60 N ATOM 0 H ASN A 49 -19.666 5.279 5.888 1.00 1.03 H new ATOM 0 HA ASN A 49 -20.383 3.949 7.603 1.00 1.10 H new ATOM 0 HB2 ASN A 49 -22.070 2.845 5.295 1.00 1.46 H new ATOM 0 HB3 ASN A 49 -22.387 2.476 6.978 1.00 1.46 H new ATOM 0 HD21 ASN A 49 -24.125 5.755 5.635 1.00 2.60 H new ATOM 0 HD22 ASN A 49 -23.784 4.261 4.755 1.00 2.60 H new ATOM 491 N MET A 50 -18.594 1.986 6.164 1.00 0.92 N ATOM 492 CA MET A 50 -17.877 0.681 6.218 1.00 0.83 C ATOM 493 C MET A 50 -17.002 0.656 7.468 1.00 0.80 C ATOM 494 O MET A 50 -16.769 -0.380 8.059 1.00 1.80 O ATOM 495 CB MET A 50 -17.003 0.520 4.973 1.00 1.47 C ATOM 496 CG MET A 50 -17.094 -0.923 4.472 1.00 1.70 C ATOM 497 SD MET A 50 -18.610 -1.134 3.503 1.00 1.98 S ATOM 498 CE MET A 50 -18.921 -2.862 3.943 1.00 0.64 C ATOM 0 H MET A 50 -18.093 2.740 5.694 1.00 0.92 H new ATOM 0 HA MET A 50 -18.597 -0.137 6.252 1.00 0.83 H new ATOM 0 HB2 MET A 50 -17.330 1.209 4.194 1.00 1.47 H new ATOM 0 HB3 MET A 50 -15.968 0.771 5.206 1.00 1.47 H new ATOM 0 HG2 MET A 50 -16.223 -1.162 3.861 1.00 1.70 H new ATOM 0 HG3 MET A 50 -17.091 -1.613 5.316 1.00 1.70 H new ATOM 0 HE1 MET A 50 -19.828 -3.206 3.446 1.00 0.64 H new ATOM 0 HE2 MET A 50 -18.078 -3.476 3.626 1.00 0.64 H new ATOM 0 HE3 MET A 50 -19.045 -2.946 5.023 1.00 0.64 H new ATOM 660 N ASN A 62 -9.254 -7.960 6.312 1.00 1.51 N ATOM 661 CA ASN A 62 -7.917 -8.420 5.833 1.00 1.21 C ATOM 662 C ASN A 62 -8.005 -8.806 4.358 1.00 0.73 C ATOM 663 O ASN A 62 -8.746 -9.691 3.977 1.00 0.53 O ATOM 664 CB ASN A 62 -7.440 -9.630 6.645 1.00 1.06 C ATOM 665 CG ASN A 62 -7.734 -9.404 8.130 1.00 1.23 C ATOM 666 OD1 ASN A 62 -7.691 -8.288 8.608 1.00 1.74 O ATOM 667 ND2 ASN A 62 -8.033 -10.427 8.884 1.00 1.53 N ATOM 0 HA ASN A 62 -7.204 -7.605 5.961 1.00 1.21 H new ATOM 0 HB2 ASN A 62 -7.942 -10.533 6.298 1.00 1.06 H new ATOM 0 HB3 ASN A 62 -6.371 -9.782 6.495 1.00 1.06 H new ATOM 0 HD21 ASN A 62 -8.231 -10.290 9.875 1.00 1.53 H new ATOM 0 HD22 ASN A 62 -8.069 -11.364 8.482 1.00 1.53 H new ATOM 674 N LEU A 63 -7.244 -8.152 3.530 1.00 1.31 N ATOM 675 CA LEU A 63 -7.262 -8.474 2.080 1.00 0.95 C ATOM 676 C LEU A 63 -6.128 -9.456 1.789 1.00 0.87 C ATOM 677 O LEU A 63 -5.540 -10.014 2.695 1.00 1.15 O ATOM 678 CB LEU A 63 -7.062 -7.187 1.280 1.00 0.93 C ATOM 679 CG LEU A 63 -8.421 -6.628 0.865 1.00 0.76 C ATOM 680 CD1 LEU A 63 -8.225 -5.320 0.097 1.00 0.78 C ATOM 681 CD2 LEU A 63 -9.141 -7.642 -0.029 1.00 0.53 C ATOM 0 H LEU A 63 -6.606 -7.403 3.798 1.00 1.31 H new ATOM 0 HA LEU A 63 -8.215 -8.922 1.798 1.00 0.95 H new ATOM 0 HB2 LEU A 63 -6.523 -6.454 1.880 1.00 0.93 H new ATOM 0 HB3 LEU A 63 -6.454 -7.386 0.397 1.00 0.93 H new ATOM 0 HG LEU A 63 -9.021 -6.439 1.755 1.00 0.76 H new ATOM 0 HD11 LEU A 63 -9.196 -4.923 -0.198 1.00 0.78 H new ATOM 0 HD12 LEU A 63 -7.715 -4.597 0.734 1.00 0.78 H new ATOM 0 HD13 LEU A 63 -7.624 -5.507 -0.793 1.00 0.78 H new ATOM 0 HD21 LEU A 63 -10.111 -7.242 -0.325 1.00 0.53 H new ATOM 0 HD22 LEU A 63 -8.541 -7.833 -0.919 1.00 0.53 H new ATOM 0 HD23 LEU A 63 -9.284 -8.573 0.519 1.00 0.53 H new ATOM 693 N ASN A 64 -5.813 -9.682 0.546 1.00 0.73 N ATOM 694 CA ASN A 64 -4.716 -10.637 0.235 1.00 0.99 C ATOM 695 C ASN A 64 -3.464 -9.870 -0.186 1.00 0.97 C ATOM 696 O ASN A 64 -2.967 -10.024 -1.284 1.00 1.50 O ATOM 697 CB ASN A 64 -5.154 -11.573 -0.894 1.00 1.35 C ATOM 698 CG ASN A 64 -4.578 -12.967 -0.652 1.00 0.83 C ATOM 699 OD1 ASN A 64 -3.425 -13.108 -0.295 1.00 1.59 O ATOM 700 ND2 ASN A 64 -5.337 -14.013 -0.832 1.00 0.77 N ATOM 0 H ASN A 64 -6.263 -9.251 -0.262 1.00 0.73 H new ATOM 0 HA ASN A 64 -4.490 -11.226 1.124 1.00 0.99 H new ATOM 0 HB2 ASN A 64 -6.242 -11.620 -0.940 1.00 1.35 H new ATOM 0 HB3 ASN A 64 -4.811 -11.188 -1.854 1.00 1.35 H new ATOM 0 HD21 ASN A 64 -4.962 -14.948 -0.673 1.00 0.77 H new ATOM 0 HD22 ASN A 64 -6.305 -13.895 -1.132 1.00 0.77 H new ATOM 707 N LEU A 65 -2.942 -9.052 0.684 1.00 0.58 N ATOM 708 CA LEU A 65 -1.715 -8.288 0.339 1.00 0.60 C ATOM 709 C LEU A 65 -0.749 -8.291 1.540 1.00 0.54 C ATOM 710 O LEU A 65 -0.370 -7.240 2.019 1.00 0.64 O ATOM 711 CB LEU A 65 -2.102 -6.849 -0.020 1.00 0.64 C ATOM 712 CG LEU A 65 -2.774 -6.174 1.178 1.00 0.52 C ATOM 713 CD1 LEU A 65 -2.353 -4.704 1.234 1.00 0.34 C ATOM 714 CD2 LEU A 65 -4.295 -6.252 1.027 1.00 0.51 C ATOM 0 H LEU A 65 -3.313 -8.880 1.619 1.00 0.58 H new ATOM 0 HA LEU A 65 -1.220 -8.752 -0.514 1.00 0.60 H new ATOM 0 HB2 LEU A 65 -1.215 -6.288 -0.314 1.00 0.64 H new ATOM 0 HB3 LEU A 65 -2.778 -6.848 -0.875 1.00 0.64 H new ATOM 0 HG LEU A 65 -2.471 -6.682 2.094 1.00 0.52 H new ATOM 0 HD11 LEU A 65 -2.830 -4.221 2.087 1.00 0.34 H new ATOM 0 HD12 LEU A 65 -1.270 -4.639 1.340 1.00 0.34 H new ATOM 0 HD13 LEU A 65 -2.658 -4.203 0.315 1.00 0.34 H new ATOM 0 HD21 LEU A 65 -4.771 -5.771 1.881 1.00 0.51 H new ATOM 0 HD22 LEU A 65 -4.596 -5.745 0.111 1.00 0.51 H new ATOM 0 HD23 LEU A 65 -4.603 -7.297 0.981 1.00 0.51 H new ATOM 726 N PRO A 66 -0.375 -9.474 2.002 1.00 1.20 N ATOM 727 CA PRO A 66 0.546 -9.616 3.149 1.00 1.36 C ATOM 728 C PRO A 66 1.993 -9.388 2.704 1.00 1.70 C ATOM 729 O PRO A 66 2.374 -9.733 1.603 1.00 2.37 O ATOM 730 CB PRO A 66 0.350 -11.069 3.592 1.00 2.39 C ATOM 731 CG PRO A 66 -0.200 -11.827 2.364 1.00 2.85 C ATOM 732 CD PRO A 66 -0.826 -10.769 1.437 1.00 2.05 C ATOM 0 HA PRO A 66 0.348 -8.897 3.944 1.00 1.36 H new ATOM 0 HB2 PRO A 66 1.292 -11.504 3.927 1.00 2.39 H new ATOM 0 HB3 PRO A 66 -0.345 -11.130 4.430 1.00 2.39 H new ATOM 0 HG2 PRO A 66 0.597 -12.367 1.853 1.00 2.85 H new ATOM 0 HG3 PRO A 66 -0.943 -12.566 2.666 1.00 2.85 H new ATOM 0 HD2 PRO A 66 -0.489 -10.893 0.408 1.00 2.05 H new ATOM 0 HD3 PRO A 66 -1.914 -10.842 1.428 1.00 2.05 H new ATOM 740 N LYS A 67 2.806 -8.817 3.553 1.00 1.50 N ATOM 741 CA LYS A 67 4.229 -8.576 3.174 1.00 2.23 C ATOM 742 C LYS A 67 4.946 -7.847 4.310 1.00 1.80 C ATOM 743 O LYS A 67 5.624 -6.862 4.098 1.00 1.82 O ATOM 744 CB LYS A 67 4.283 -7.718 1.909 1.00 2.81 C ATOM 745 CG LYS A 67 5.444 -8.180 1.026 1.00 4.11 C ATOM 746 CD LYS A 67 4.898 -8.893 -0.214 1.00 4.47 C ATOM 747 CE LYS A 67 5.332 -10.359 -0.190 1.00 4.81 C ATOM 748 NZ LYS A 67 4.165 -11.228 -0.514 1.00 4.49 N ATOM 0 H LYS A 67 2.547 -8.508 4.490 1.00 1.50 H new ATOM 0 HA LYS A 67 4.719 -9.532 2.988 1.00 2.23 H new ATOM 0 HB2 LYS A 67 3.343 -7.798 1.363 1.00 2.81 H new ATOM 0 HB3 LYS A 67 4.410 -6.668 2.174 1.00 2.81 H new ATOM 0 HG2 LYS A 67 6.050 -7.324 0.728 1.00 4.11 H new ATOM 0 HG3 LYS A 67 6.095 -8.851 1.586 1.00 4.11 H new ATOM 0 HD2 LYS A 67 3.810 -8.825 -0.237 1.00 4.47 H new ATOM 0 HD3 LYS A 67 5.267 -8.408 -1.118 1.00 4.47 H new ATOM 0 HE2 LYS A 67 6.133 -10.524 -0.911 1.00 4.81 H new ATOM 0 HE3 LYS A 67 5.729 -10.616 0.792 1.00 4.81 H new ATOM 0 HZ1 LYS A 67 4.412 -12.222 -0.334 1.00 4.49 H new ATOM 0 HZ2 LYS A 67 3.356 -10.959 0.081 1.00 4.49 H new ATOM 0 HZ3 LYS A 67 3.912 -11.110 -1.516 1.00 4.49 H new ATOM 762 N MET A 68 4.804 -8.321 5.515 1.00 1.89 N ATOM 763 CA MET A 68 5.479 -7.648 6.661 1.00 1.44 C ATOM 764 C MET A 68 5.225 -8.442 7.945 1.00 1.59 C ATOM 765 O MET A 68 4.200 -9.074 8.103 1.00 1.79 O ATOM 766 CB MET A 68 4.919 -6.232 6.815 1.00 1.09 C ATOM 767 CG MET A 68 6.041 -5.282 7.246 1.00 0.58 C ATOM 768 SD MET A 68 6.277 -4.004 5.982 1.00 1.43 S ATOM 769 CE MET A 68 7.019 -2.748 7.057 1.00 0.21 C ATOM 0 H MET A 68 4.251 -9.143 5.757 1.00 1.89 H new ATOM 0 HA MET A 68 6.552 -7.599 6.475 1.00 1.44 H new ATOM 0 HB2 MET A 68 4.486 -5.896 5.873 1.00 1.09 H new ATOM 0 HB3 MET A 68 4.118 -6.225 7.554 1.00 1.09 H new ATOM 0 HG2 MET A 68 5.793 -4.821 8.202 1.00 0.58 H new ATOM 0 HG3 MET A 68 6.967 -5.839 7.391 1.00 0.58 H new ATOM 0 HE1 MET A 68 6.540 -1.786 6.877 1.00 0.21 H new ATOM 0 HE2 MET A 68 6.880 -3.033 8.100 1.00 0.21 H new ATOM 0 HE3 MET A 68 8.085 -2.668 6.842 1.00 0.21 H new ATOM 779 N ALA A 69 6.151 -8.414 8.867 1.00 1.51 N ATOM 780 CA ALA A 69 5.957 -9.168 10.138 1.00 1.66 C ATOM 781 C ALA A 69 7.108 -8.866 11.101 1.00 1.58 C ATOM 782 O ALA A 69 7.992 -8.086 10.807 1.00 1.78 O ATOM 783 CB ALA A 69 5.924 -10.668 9.837 1.00 2.00 C ATOM 0 H ALA A 69 7.031 -7.903 8.794 1.00 1.51 H new ATOM 0 HA ALA A 69 5.016 -8.865 10.598 1.00 1.66 H new ATOM 0 HB1 ALA A 69 5.782 -11.222 10.765 1.00 2.00 H new ATOM 0 HB2 ALA A 69 5.101 -10.884 9.156 1.00 2.00 H new ATOM 0 HB3 ALA A 69 6.865 -10.967 9.376 1.00 2.00 H new ATOM 789 N GLU A 70 7.103 -9.483 12.254 1.00 1.38 N ATOM 790 CA GLU A 70 8.193 -9.236 13.242 1.00 1.29 C ATOM 791 C GLU A 70 9.477 -9.936 12.784 1.00 1.35 C ATOM 792 O GLU A 70 10.559 -9.622 13.237 1.00 1.24 O ATOM 793 CB GLU A 70 7.775 -9.789 14.606 1.00 1.35 C ATOM 794 CG GLU A 70 8.894 -9.552 15.623 1.00 2.50 C ATOM 795 CD GLU A 70 8.393 -9.907 17.025 1.00 2.63 C ATOM 796 OE1 GLU A 70 7.984 -11.041 17.216 1.00 2.68 O ATOM 797 OE2 GLU A 70 8.427 -9.040 17.883 1.00 3.05 O ATOM 0 H GLU A 70 6.390 -10.148 12.554 1.00 1.38 H new ATOM 0 HA GLU A 70 8.374 -8.164 13.318 1.00 1.29 H new ATOM 0 HB2 GLU A 70 6.858 -9.304 14.940 1.00 1.35 H new ATOM 0 HB3 GLU A 70 7.562 -10.855 14.527 1.00 1.35 H new ATOM 0 HG2 GLU A 70 9.763 -10.159 15.371 1.00 2.50 H new ATOM 0 HG3 GLU A 70 9.213 -8.510 15.592 1.00 2.50 H new ATOM 804 N LYS A 71 9.368 -10.884 11.891 1.00 1.58 N ATOM 805 CA LYS A 71 10.587 -11.596 11.414 1.00 1.69 C ATOM 806 C LYS A 71 11.301 -10.740 10.367 1.00 1.60 C ATOM 807 O LYS A 71 12.503 -10.811 10.208 1.00 1.64 O ATOM 808 CB LYS A 71 10.189 -12.934 10.787 1.00 2.02 C ATOM 809 CG LYS A 71 11.385 -13.887 10.819 1.00 3.03 C ATOM 810 CD LYS A 71 11.360 -14.705 12.112 1.00 3.04 C ATOM 811 CE LYS A 71 10.077 -15.536 12.170 1.00 2.72 C ATOM 812 NZ LYS A 71 10.374 -16.863 12.780 1.00 3.72 N ATOM 0 H LYS A 71 8.491 -11.194 11.473 1.00 1.58 H new ATOM 0 HA LYS A 71 11.253 -11.774 12.258 1.00 1.69 H new ATOM 0 HB2 LYS A 71 9.350 -13.368 11.331 1.00 2.02 H new ATOM 0 HB3 LYS A 71 9.858 -12.782 9.759 1.00 2.02 H new ATOM 0 HG2 LYS A 71 11.355 -14.552 9.956 1.00 3.03 H new ATOM 0 HG3 LYS A 71 12.314 -13.321 10.753 1.00 3.03 H new ATOM 0 HD2 LYS A 71 12.231 -15.359 12.157 1.00 3.04 H new ATOM 0 HD3 LYS A 71 11.415 -14.041 12.975 1.00 3.04 H new ATOM 0 HE2 LYS A 71 9.320 -15.015 12.756 1.00 2.72 H new ATOM 0 HE3 LYS A 71 9.670 -15.667 11.167 1.00 2.72 H new ATOM 0 HZ1 LYS A 71 9.503 -17.429 12.820 1.00 3.72 H new ATOM 0 HZ2 LYS A 71 11.083 -17.359 12.203 1.00 3.72 H new ATOM 0 HZ3 LYS A 71 10.744 -16.728 13.743 1.00 3.72 H new ATOM 826 N ASP A 72 10.570 -9.932 9.647 1.00 1.51 N ATOM 827 CA ASP A 72 11.211 -9.075 8.612 1.00 1.47 C ATOM 828 C ASP A 72 12.272 -8.194 9.269 1.00 1.54 C ATOM 829 O ASP A 72 13.351 -8.005 8.742 1.00 1.93 O ATOM 830 CB ASP A 72 10.150 -8.192 7.952 1.00 1.36 C ATOM 831 CG ASP A 72 9.648 -8.870 6.676 1.00 1.33 C ATOM 832 OD1 ASP A 72 9.699 -10.088 6.617 1.00 1.34 O ATOM 833 OD2 ASP A 72 9.225 -8.161 5.778 1.00 1.79 O ATOM 0 H ASP A 72 9.559 -9.829 9.732 1.00 1.51 H new ATOM 0 HA ASP A 72 11.679 -9.705 7.856 1.00 1.47 H new ATOM 0 HB2 ASP A 72 9.320 -8.026 8.639 1.00 1.36 H new ATOM 0 HB3 ASP A 72 10.570 -7.214 7.717 1.00 1.36 H new ATOM 838 N GLY A 73 11.979 -7.653 10.420 1.00 1.27 N ATOM 839 CA GLY A 73 12.975 -6.787 11.109 1.00 1.49 C ATOM 840 C GLY A 73 12.597 -5.317 10.916 1.00 1.11 C ATOM 841 O GLY A 73 13.442 -4.446 10.908 1.00 1.24 O ATOM 0 H GLY A 73 11.094 -7.774 10.912 1.00 1.27 H new ATOM 0 HA2 GLY A 73 13.008 -7.028 12.172 1.00 1.49 H new ATOM 0 HA3 GLY A 73 13.972 -6.972 10.709 1.00 1.49 H new ATOM 845 N CYS A 74 11.331 -5.034 10.762 1.00 0.71 N ATOM 846 CA CYS A 74 10.904 -3.617 10.571 1.00 0.42 C ATOM 847 C CYS A 74 10.561 -2.995 11.928 1.00 0.42 C ATOM 848 O CYS A 74 9.765 -2.081 12.017 1.00 0.30 O ATOM 849 CB CYS A 74 9.672 -3.572 9.665 1.00 0.46 C ATOM 850 SG CYS A 74 10.099 -4.223 8.032 1.00 1.17 S ATOM 0 H CYS A 74 10.576 -5.720 10.760 1.00 0.71 H new ATOM 0 HA CYS A 74 11.716 -3.055 10.110 1.00 0.42 H new ATOM 0 HB2 CYS A 74 8.864 -4.159 10.102 1.00 0.46 H new ATOM 0 HB3 CYS A 74 9.310 -2.548 9.576 1.00 0.46 H new ATOM 855 N PHE A 75 11.155 -3.479 12.986 1.00 0.64 N ATOM 856 CA PHE A 75 10.859 -2.914 14.330 1.00 0.67 C ATOM 857 C PHE A 75 12.141 -2.887 15.164 1.00 0.91 C ATOM 858 O PHE A 75 13.215 -3.178 14.676 1.00 1.35 O ATOM 859 CB PHE A 75 9.812 -3.784 15.026 1.00 0.70 C ATOM 860 CG PHE A 75 8.649 -4.009 14.091 1.00 0.79 C ATOM 861 CD1 PHE A 75 7.741 -2.974 13.843 1.00 0.26 C ATOM 862 CD2 PHE A 75 8.479 -5.253 13.470 1.00 1.67 C ATOM 863 CE1 PHE A 75 6.663 -3.180 12.976 1.00 0.56 C ATOM 864 CE2 PHE A 75 7.399 -5.460 12.601 1.00 2.04 C ATOM 865 CZ PHE A 75 6.492 -4.423 12.354 1.00 1.50 C ATOM 0 H PHE A 75 11.832 -4.242 12.975 1.00 0.64 H new ATOM 0 HA PHE A 75 10.475 -1.899 14.224 1.00 0.67 H new ATOM 0 HB2 PHE A 75 10.250 -4.739 15.316 1.00 0.70 H new ATOM 0 HB3 PHE A 75 9.470 -3.300 15.941 1.00 0.70 H new ATOM 0 HD1 PHE A 75 7.873 -2.015 14.322 1.00 0.26 H new ATOM 0 HD2 PHE A 75 9.180 -6.052 13.661 1.00 1.67 H new ATOM 0 HE1 PHE A 75 5.962 -2.380 12.786 1.00 0.56 H new ATOM 0 HE2 PHE A 75 7.267 -6.419 12.122 1.00 2.04 H new ATOM 0 HZ PHE A 75 5.660 -4.581 11.684 1.00 1.50 H new ATOM 875 N GLN A 76 12.037 -2.540 16.418 1.00 0.73 N ATOM 876 CA GLN A 76 13.248 -2.495 17.285 1.00 0.98 C ATOM 877 C GLN A 76 13.841 -3.900 17.413 1.00 1.14 C ATOM 878 O GLN A 76 15.025 -4.104 17.234 1.00 1.50 O ATOM 879 CB GLN A 76 12.858 -1.981 18.672 1.00 0.86 C ATOM 880 CG GLN A 76 13.714 -0.764 19.034 1.00 1.56 C ATOM 881 CD GLN A 76 12.808 0.450 19.242 1.00 2.16 C ATOM 882 OE1 GLN A 76 12.655 0.926 20.349 1.00 2.48 O ATOM 883 NE2 GLN A 76 12.196 0.974 18.217 1.00 3.13 N ATOM 0 H GLN A 76 11.164 -2.285 16.880 1.00 0.73 H new ATOM 0 HA GLN A 76 13.988 -1.829 16.841 1.00 0.98 H new ATOM 0 HB2 GLN A 76 11.802 -1.711 18.686 1.00 0.86 H new ATOM 0 HB3 GLN A 76 12.996 -2.768 19.414 1.00 0.86 H new ATOM 0 HG2 GLN A 76 14.286 -0.964 19.940 1.00 1.56 H new ATOM 0 HG3 GLN A 76 14.434 -0.563 18.241 1.00 1.56 H new ATOM 0 HE21 GLN A 76 12.324 0.574 17.287 1.00 3.13 H new ATOM 0 HE22 GLN A 76 11.589 1.784 18.345 1.00 3.13 H new ATOM 892 N SER A 77 13.025 -4.871 17.724 1.00 1.05 N ATOM 893 CA SER A 77 13.541 -6.262 17.867 1.00 1.28 C ATOM 894 C SER A 77 14.305 -6.662 16.602 1.00 1.37 C ATOM 895 O SER A 77 13.724 -7.065 15.614 1.00 1.35 O ATOM 896 CB SER A 77 12.368 -7.221 18.078 1.00 1.31 C ATOM 897 OG SER A 77 12.643 -8.057 19.194 1.00 1.80 O ATOM 0 H SER A 77 12.024 -4.761 17.885 1.00 1.05 H new ATOM 0 HA SER A 77 14.212 -6.311 18.724 1.00 1.28 H new ATOM 0 HB2 SER A 77 11.449 -6.659 18.247 1.00 1.31 H new ATOM 0 HB3 SER A 77 12.212 -7.826 17.185 1.00 1.31 H new ATOM 0 HG SER A 77 11.893 -8.672 19.334 1.00 1.80 H new ATOM 903 N GLY A 78 15.605 -6.556 16.628 1.00 1.67 N ATOM 904 CA GLY A 78 16.408 -6.931 15.430 1.00 1.76 C ATOM 905 C GLY A 78 16.001 -6.056 14.244 1.00 1.36 C ATOM 906 O GLY A 78 15.559 -6.543 13.222 1.00 1.08 O ATOM 0 H GLY A 78 16.146 -6.226 17.427 1.00 1.67 H new ATOM 0 HA2 GLY A 78 17.471 -6.807 15.639 1.00 1.76 H new ATOM 0 HA3 GLY A 78 16.251 -7.983 15.190 1.00 1.76 H new ATOM 910 N PHE A 79 16.145 -4.764 14.370 1.00 1.37 N ATOM 911 CA PHE A 79 15.765 -3.861 13.247 1.00 1.06 C ATOM 912 C PHE A 79 16.717 -4.082 12.068 1.00 1.20 C ATOM 913 O PHE A 79 17.800 -3.535 12.023 1.00 1.90 O ATOM 914 CB PHE A 79 15.854 -2.404 13.704 1.00 1.05 C ATOM 915 CG PHE A 79 15.461 -1.499 12.561 1.00 0.89 C ATOM 916 CD1 PHE A 79 14.108 -1.289 12.268 1.00 0.94 C ATOM 917 CD2 PHE A 79 16.450 -0.875 11.791 1.00 1.02 C ATOM 918 CE1 PHE A 79 13.745 -0.455 11.204 1.00 1.00 C ATOM 919 CE2 PHE A 79 16.086 -0.040 10.728 1.00 0.95 C ATOM 920 CZ PHE A 79 14.733 0.170 10.434 1.00 0.88 C ATOM 0 H PHE A 79 16.509 -4.296 15.200 1.00 1.37 H new ATOM 0 HA PHE A 79 14.743 -4.082 12.938 1.00 1.06 H new ATOM 0 HB2 PHE A 79 15.197 -2.238 14.558 1.00 1.05 H new ATOM 0 HB3 PHE A 79 16.868 -2.175 14.033 1.00 1.05 H new ATOM 0 HD1 PHE A 79 13.345 -1.770 12.862 1.00 0.94 H new ATOM 0 HD2 PHE A 79 17.493 -1.038 12.017 1.00 1.02 H new ATOM 0 HE1 PHE A 79 12.702 -0.294 10.977 1.00 1.00 H new ATOM 0 HE2 PHE A 79 16.849 0.442 10.135 1.00 0.95 H new ATOM 0 HZ PHE A 79 14.452 0.814 9.614 1.00 0.88 H new ATOM 930 N ASN A 80 16.319 -4.876 11.114 1.00 0.59 N ATOM 931 CA ASN A 80 17.199 -5.129 9.939 1.00 0.72 C ATOM 932 C ASN A 80 17.205 -3.900 9.029 1.00 0.73 C ATOM 933 O ASN A 80 16.730 -2.841 9.394 1.00 1.16 O ATOM 934 CB ASN A 80 16.674 -6.335 9.160 1.00 0.74 C ATOM 935 CG ASN A 80 17.664 -7.495 9.287 1.00 1.01 C ATOM 936 OD1 ASN A 80 18.796 -7.391 8.859 1.00 1.96 O ATOM 937 ND2 ASN A 80 17.280 -8.602 9.859 1.00 0.31 N ATOM 0 H ASN A 80 15.422 -5.361 11.097 1.00 0.59 H new ATOM 0 HA ASN A 80 18.213 -5.330 10.283 1.00 0.72 H new ATOM 0 HB2 ASN A 80 15.698 -6.632 9.544 1.00 0.74 H new ATOM 0 HB3 ASN A 80 16.538 -6.072 8.111 1.00 0.74 H new ATOM 0 HD21 ASN A 80 17.931 -9.383 9.948 1.00 0.31 H new ATOM 0 HD22 ASN A 80 16.329 -8.687 10.218 1.00 0.31 H new ATOM 944 N GLU A 81 17.739 -4.031 7.846 1.00 0.91 N ATOM 945 CA GLU A 81 17.777 -2.872 6.910 1.00 0.83 C ATOM 946 C GLU A 81 17.453 -3.353 5.494 1.00 0.84 C ATOM 947 O GLU A 81 16.564 -2.843 4.841 1.00 0.89 O ATOM 948 CB GLU A 81 19.176 -2.253 6.925 1.00 0.95 C ATOM 949 CG GLU A 81 19.444 -1.623 8.293 1.00 0.84 C ATOM 950 CD GLU A 81 20.948 -1.642 8.580 1.00 0.71 C ATOM 951 OE1 GLU A 81 21.650 -2.389 7.919 1.00 1.05 O ATOM 952 OE2 GLU A 81 21.372 -0.908 9.458 1.00 0.88 O ATOM 0 H GLU A 81 18.151 -4.892 7.487 1.00 0.91 H new ATOM 0 HA GLU A 81 17.044 -2.128 7.221 1.00 0.83 H new ATOM 0 HB2 GLU A 81 19.925 -3.016 6.712 1.00 0.95 H new ATOM 0 HB3 GLU A 81 19.259 -1.498 6.143 1.00 0.95 H new ATOM 0 HG2 GLU A 81 19.073 -0.598 8.312 1.00 0.84 H new ATOM 0 HG3 GLU A 81 18.908 -2.171 9.068 1.00 0.84 H new ATOM 959 N GLU A 82 18.171 -4.330 5.015 1.00 0.78 N ATOM 960 CA GLU A 82 17.911 -4.844 3.642 1.00 0.78 C ATOM 961 C GLU A 82 16.741 -5.831 3.672 1.00 0.68 C ATOM 962 O GLU A 82 16.124 -6.100 2.663 1.00 0.61 O ATOM 963 CB GLU A 82 19.161 -5.557 3.120 1.00 0.95 C ATOM 964 CG GLU A 82 18.934 -5.988 1.670 1.00 1.03 C ATOM 965 CD GLU A 82 18.801 -7.510 1.603 1.00 1.07 C ATOM 966 OE1 GLU A 82 17.801 -8.019 2.082 1.00 1.66 O ATOM 967 OE2 GLU A 82 19.701 -8.141 1.073 1.00 0.92 O ATOM 0 H GLU A 82 18.928 -4.795 5.516 1.00 0.78 H new ATOM 0 HA GLU A 82 17.663 -4.009 2.987 1.00 0.78 H new ATOM 0 HB2 GLU A 82 20.024 -4.894 3.183 1.00 0.95 H new ATOM 0 HB3 GLU A 82 19.382 -6.427 3.739 1.00 0.95 H new ATOM 0 HG2 GLU A 82 18.034 -5.516 1.276 1.00 1.03 H new ATOM 0 HG3 GLU A 82 19.765 -5.658 1.047 1.00 1.03 H new ATOM 974 N THR A 83 16.422 -6.367 4.818 1.00 0.69 N ATOM 975 CA THR A 83 15.289 -7.329 4.892 1.00 0.64 C ATOM 976 C THR A 83 13.985 -6.544 4.960 1.00 0.52 C ATOM 977 O THR A 83 13.015 -6.865 4.302 1.00 0.56 O ATOM 978 CB THR A 83 15.434 -8.194 6.146 1.00 0.75 C ATOM 979 OG1 THR A 83 16.809 -8.467 6.372 1.00 1.04 O ATOM 980 CG2 THR A 83 14.676 -9.508 5.951 1.00 1.16 C ATOM 0 H THR A 83 16.895 -6.181 5.702 1.00 0.69 H new ATOM 0 HA THR A 83 15.289 -7.973 4.013 1.00 0.64 H new ATOM 0 HB THR A 83 15.022 -7.664 7.005 1.00 0.75 H new ATOM 0 HG1 THR A 83 16.905 -9.020 7.176 1.00 1.04 H new ATOM 0 HG21 THR A 83 14.780 -10.124 6.844 1.00 1.16 H new ATOM 0 HG22 THR A 83 13.621 -9.297 5.776 1.00 1.16 H new ATOM 0 HG23 THR A 83 15.086 -10.041 5.093 1.00 1.16 H new ATOM 988 N CYS A 84 13.961 -5.507 5.747 1.00 0.39 N ATOM 989 CA CYS A 84 12.727 -4.691 5.853 1.00 0.30 C ATOM 990 C CYS A 84 12.498 -3.963 4.527 1.00 0.21 C ATOM 991 O CYS A 84 11.428 -4.014 3.952 1.00 0.22 O ATOM 992 CB CYS A 84 12.880 -3.671 6.983 1.00 0.26 C ATOM 993 SG CYS A 84 11.308 -2.812 7.238 1.00 0.79 S ATOM 0 H CYS A 84 14.743 -5.191 6.320 1.00 0.39 H new ATOM 0 HA CYS A 84 11.875 -5.336 6.070 1.00 0.30 H new ATOM 0 HB2 CYS A 84 13.185 -4.173 7.901 1.00 0.26 H new ATOM 0 HB3 CYS A 84 13.663 -2.954 6.736 1.00 0.26 H new ATOM 998 N LEU A 85 13.503 -3.290 4.035 1.00 0.19 N ATOM 999 CA LEU A 85 13.353 -2.560 2.747 1.00 0.20 C ATOM 1000 C LEU A 85 12.946 -3.544 1.649 1.00 0.23 C ATOM 1001 O LEU A 85 12.169 -3.218 0.777 1.00 0.22 O ATOM 1002 CB LEU A 85 14.682 -1.897 2.377 1.00 0.36 C ATOM 1003 CG LEU A 85 14.468 -0.947 1.198 1.00 0.41 C ATOM 1004 CD1 LEU A 85 13.832 0.351 1.699 1.00 0.40 C ATOM 1005 CD2 LEU A 85 15.816 -0.637 0.543 1.00 0.52 C ATOM 0 H LEU A 85 14.422 -3.215 4.471 1.00 0.19 H new ATOM 0 HA LEU A 85 12.584 -1.794 2.850 1.00 0.20 H new ATOM 0 HB2 LEU A 85 15.077 -1.349 3.232 1.00 0.36 H new ATOM 0 HB3 LEU A 85 15.419 -2.656 2.117 1.00 0.36 H new ATOM 0 HG LEU A 85 13.809 -1.415 0.467 1.00 0.41 H new ATOM 0 HD11 LEU A 85 13.679 1.029 0.859 1.00 0.40 H new ATOM 0 HD12 LEU A 85 12.872 0.129 2.166 1.00 0.40 H new ATOM 0 HD13 LEU A 85 14.491 0.821 2.429 1.00 0.40 H new ATOM 0 HD21 LEU A 85 15.665 0.040 -0.298 1.00 0.52 H new ATOM 0 HD22 LEU A 85 16.476 -0.168 1.273 1.00 0.52 H new ATOM 0 HD23 LEU A 85 16.269 -1.562 0.187 1.00 0.52 H new ATOM 1017 N VAL A 86 13.455 -4.748 1.680 1.00 0.26 N ATOM 1018 CA VAL A 86 13.072 -5.733 0.628 1.00 0.31 C ATOM 1019 C VAL A 86 11.549 -5.903 0.647 1.00 0.35 C ATOM 1020 O VAL A 86 10.892 -5.721 -0.353 1.00 0.46 O ATOM 1021 CB VAL A 86 13.781 -7.080 0.895 1.00 0.32 C ATOM 1022 CG1 VAL A 86 13.044 -8.240 0.207 1.00 0.17 C ATOM 1023 CG2 VAL A 86 15.204 -7.011 0.341 1.00 0.44 C ATOM 0 H VAL A 86 14.113 -5.089 2.381 1.00 0.26 H new ATOM 0 HA VAL A 86 13.379 -5.377 -0.356 1.00 0.31 H new ATOM 0 HB VAL A 86 13.789 -7.257 1.970 1.00 0.32 H new ATOM 0 HG11 VAL A 86 13.565 -9.175 0.412 1.00 0.17 H new ATOM 0 HG12 VAL A 86 12.025 -8.301 0.589 1.00 0.17 H new ATOM 0 HG13 VAL A 86 13.018 -8.068 -0.869 1.00 0.17 H new ATOM 0 HG21 VAL A 86 15.712 -7.958 0.525 1.00 0.44 H new ATOM 0 HG22 VAL A 86 15.168 -6.821 -0.732 1.00 0.44 H new ATOM 0 HG23 VAL A 86 15.748 -6.205 0.834 1.00 0.44 H new ATOM 1033 N LYS A 87 10.985 -6.249 1.768 1.00 0.32 N ATOM 1034 CA LYS A 87 9.506 -6.424 1.824 1.00 0.38 C ATOM 1035 C LYS A 87 8.821 -5.129 1.378 1.00 0.32 C ATOM 1036 O LYS A 87 7.693 -5.142 0.929 1.00 0.32 O ATOM 1037 CB LYS A 87 9.083 -6.765 3.254 1.00 0.41 C ATOM 1038 CG LYS A 87 8.090 -7.927 3.227 1.00 0.90 C ATOM 1039 CD LYS A 87 8.802 -9.194 2.750 1.00 0.84 C ATOM 1040 CE LYS A 87 8.178 -10.419 3.420 1.00 1.06 C ATOM 1041 NZ LYS A 87 8.109 -11.538 2.438 1.00 1.71 N ATOM 0 H LYS A 87 11.479 -6.418 2.644 1.00 0.32 H new ATOM 0 HA LYS A 87 9.211 -7.236 1.159 1.00 0.38 H new ATOM 0 HB2 LYS A 87 9.956 -7.032 3.849 1.00 0.41 H new ATOM 0 HB3 LYS A 87 8.629 -5.895 3.728 1.00 0.41 H new ATOM 0 HG2 LYS A 87 7.671 -8.085 4.221 1.00 0.90 H new ATOM 0 HG3 LYS A 87 7.258 -7.693 2.563 1.00 0.90 H new ATOM 0 HD2 LYS A 87 8.724 -9.281 1.666 1.00 0.84 H new ATOM 0 HD3 LYS A 87 9.864 -9.138 2.989 1.00 0.84 H new ATOM 0 HE2 LYS A 87 8.771 -10.716 4.285 1.00 1.06 H new ATOM 0 HE3 LYS A 87 7.179 -10.179 3.785 1.00 1.06 H new ATOM 0 HZ1 LYS A 87 7.551 -12.318 2.839 1.00 1.71 H new ATOM 0 HZ2 LYS A 87 7.658 -11.204 1.562 1.00 1.71 H new ATOM 0 HZ3 LYS A 87 9.070 -11.874 2.226 1.00 1.71 H new ATOM 1055 N ILE A 88 9.489 -4.012 1.492 1.00 0.27 N ATOM 1056 CA ILE A 88 8.861 -2.730 1.059 1.00 0.24 C ATOM 1057 C ILE A 88 8.791 -2.707 -0.468 1.00 0.24 C ATOM 1058 O ILE A 88 7.818 -2.273 -1.043 1.00 0.15 O ATOM 1059 CB ILE A 88 9.695 -1.547 1.566 1.00 0.27 C ATOM 1060 CG1 ILE A 88 9.642 -1.504 3.099 1.00 0.29 C ATOM 1061 CG2 ILE A 88 9.141 -0.235 0.999 1.00 0.25 C ATOM 1062 CD1 ILE A 88 8.207 -1.237 3.562 1.00 0.32 C ATOM 0 H ILE A 88 10.436 -3.932 1.863 1.00 0.27 H new ATOM 0 HA ILE A 88 7.856 -2.650 1.473 1.00 0.24 H new ATOM 0 HB ILE A 88 10.727 -1.671 1.238 1.00 0.27 H new ATOM 0 HG12 ILE A 88 9.997 -2.449 3.511 1.00 0.29 H new ATOM 0 HG13 ILE A 88 10.305 -0.724 3.473 1.00 0.29 H new ATOM 0 HG21 ILE A 88 9.739 0.600 1.364 1.00 0.25 H new ATOM 0 HG22 ILE A 88 9.183 -0.263 -0.090 1.00 0.25 H new ATOM 0 HG23 ILE A 88 8.107 -0.108 1.319 1.00 0.25 H new ATOM 0 HD11 ILE A 88 8.176 -1.208 4.651 1.00 0.32 H new ATOM 0 HD12 ILE A 88 7.868 -0.281 3.163 1.00 0.32 H new ATOM 0 HD13 ILE A 88 7.554 -2.032 3.202 1.00 0.32 H new ATOM 1074 N ILE A 89 9.806 -3.193 -1.129 1.00 0.36 N ATOM 1075 CA ILE A 89 9.778 -3.226 -2.618 1.00 0.38 C ATOM 1076 C ILE A 89 8.699 -4.218 -3.025 1.00 0.30 C ATOM 1077 O ILE A 89 7.734 -3.897 -3.693 1.00 0.25 O ATOM 1078 CB ILE A 89 11.126 -3.734 -3.131 1.00 0.44 C ATOM 1079 CG1 ILE A 89 12.255 -2.892 -2.529 1.00 0.30 C ATOM 1080 CG2 ILE A 89 11.169 -3.634 -4.657 1.00 0.62 C ATOM 1081 CD1 ILE A 89 13.604 -3.376 -3.070 1.00 0.73 C ATOM 0 H ILE A 89 10.653 -3.568 -0.702 1.00 0.36 H new ATOM 0 HA ILE A 89 9.581 -2.235 -3.027 1.00 0.38 H new ATOM 0 HB ILE A 89 11.254 -4.775 -2.835 1.00 0.44 H new ATOM 0 HG12 ILE A 89 12.109 -1.840 -2.776 1.00 0.30 H new ATOM 0 HG13 ILE A 89 12.239 -2.969 -1.442 1.00 0.30 H new ATOM 0 HG21 ILE A 89 12.131 -3.997 -5.018 1.00 0.62 H new ATOM 0 HG22 ILE A 89 10.369 -4.239 -5.084 1.00 0.62 H new ATOM 0 HG23 ILE A 89 11.037 -2.595 -4.957 1.00 0.62 H new ATOM 0 HD11 ILE A 89 14.405 -2.775 -2.640 1.00 0.73 H new ATOM 0 HD12 ILE A 89 13.750 -4.422 -2.800 1.00 0.73 H new ATOM 0 HD13 ILE A 89 13.618 -3.276 -4.155 1.00 0.73 H new ATOM 1093 N THR A 90 8.876 -5.424 -2.591 1.00 0.32 N ATOM 1094 CA THR A 90 7.901 -6.507 -2.880 1.00 0.24 C ATOM 1095 C THR A 90 6.507 -6.082 -2.402 1.00 0.24 C ATOM 1096 O THR A 90 5.504 -6.621 -2.826 1.00 0.19 O ATOM 1097 CB THR A 90 8.318 -7.776 -2.115 1.00 0.32 C ATOM 1098 OG1 THR A 90 9.490 -7.531 -1.350 1.00 1.76 O ATOM 1099 CG2 THR A 90 8.591 -8.912 -3.091 1.00 1.32 C ATOM 0 H THR A 90 9.677 -5.716 -2.032 1.00 0.32 H new ATOM 0 HA THR A 90 7.881 -6.701 -3.952 1.00 0.24 H new ATOM 0 HB THR A 90 7.502 -8.055 -1.448 1.00 0.32 H new ATOM 0 HG1 THR A 90 9.370 -6.716 -0.819 1.00 1.76 H new ATOM 0 HG21 THR A 90 8.885 -9.804 -2.538 1.00 1.32 H new ATOM 0 HG22 THR A 90 7.689 -9.122 -3.666 1.00 1.32 H new ATOM 0 HG23 THR A 90 9.395 -8.624 -3.769 1.00 1.32 H new ATOM 1107 N GLY A 91 6.438 -5.139 -1.500 1.00 0.39 N ATOM 1108 CA GLY A 91 5.114 -4.705 -0.971 1.00 0.41 C ATOM 1109 C GLY A 91 4.516 -3.587 -1.829 1.00 0.42 C ATOM 1110 O GLY A 91 3.314 -3.435 -1.901 1.00 0.41 O ATOM 0 H GLY A 91 7.243 -4.651 -1.107 1.00 0.39 H new ATOM 0 HA2 GLY A 91 4.432 -5.555 -0.949 1.00 0.41 H new ATOM 0 HA3 GLY A 91 5.225 -4.359 0.057 1.00 0.41 H new ATOM 1114 N LEU A 92 5.329 -2.789 -2.463 1.00 0.44 N ATOM 1115 CA LEU A 92 4.774 -1.672 -3.281 1.00 0.44 C ATOM 1116 C LEU A 92 4.308 -2.182 -4.650 1.00 0.47 C ATOM 1117 O LEU A 92 3.387 -1.642 -5.225 1.00 0.43 O ATOM 1118 CB LEU A 92 5.842 -0.597 -3.484 1.00 0.46 C ATOM 1119 CG LEU A 92 6.184 0.048 -2.140 1.00 0.24 C ATOM 1120 CD1 LEU A 92 7.462 0.877 -2.282 1.00 0.37 C ATOM 1121 CD2 LEU A 92 5.033 0.958 -1.705 1.00 0.39 C ATOM 0 H LEU A 92 6.346 -2.860 -2.452 1.00 0.44 H new ATOM 0 HA LEU A 92 3.920 -1.251 -2.750 1.00 0.44 H new ATOM 0 HB2 LEU A 92 6.736 -1.037 -3.925 1.00 0.46 H new ATOM 0 HB3 LEU A 92 5.482 0.160 -4.181 1.00 0.46 H new ATOM 0 HG LEU A 92 6.337 -0.730 -1.392 1.00 0.24 H new ATOM 0 HD11 LEU A 92 7.706 1.337 -1.324 1.00 0.37 H new ATOM 0 HD12 LEU A 92 8.282 0.230 -2.593 1.00 0.37 H new ATOM 0 HD13 LEU A 92 7.310 1.655 -3.030 1.00 0.37 H new ATOM 0 HD21 LEU A 92 5.275 1.418 -0.747 1.00 0.39 H new ATOM 0 HD22 LEU A 92 4.881 1.736 -2.453 1.00 0.39 H new ATOM 0 HD23 LEU A 92 4.122 0.369 -1.604 1.00 0.39 H new ATOM 1133 N LEU A 93 4.923 -3.206 -5.184 1.00 0.57 N ATOM 1134 CA LEU A 93 4.472 -3.717 -6.516 1.00 0.63 C ATOM 1135 C LEU A 93 3.064 -4.302 -6.348 1.00 0.57 C ATOM 1136 O LEU A 93 2.130 -3.974 -7.072 1.00 0.54 O ATOM 1137 CB LEU A 93 5.420 -4.815 -7.010 1.00 0.72 C ATOM 1138 CG LEU A 93 6.811 -4.230 -7.247 1.00 0.77 C ATOM 1139 CD1 LEU A 93 7.869 -5.165 -6.660 1.00 0.71 C ATOM 1140 CD2 LEU A 93 7.049 -4.077 -8.751 1.00 0.72 C ATOM 0 H LEU A 93 5.707 -3.705 -4.764 1.00 0.57 H new ATOM 0 HA LEU A 93 4.470 -2.905 -7.243 1.00 0.63 H new ATOM 0 HB2 LEU A 93 5.474 -5.619 -6.276 1.00 0.72 H new ATOM 0 HB3 LEU A 93 5.037 -5.251 -7.933 1.00 0.72 H new ATOM 0 HG LEU A 93 6.880 -3.255 -6.764 1.00 0.77 H new ATOM 0 HD11 LEU A 93 8.860 -4.745 -6.830 1.00 0.71 H new ATOM 0 HD12 LEU A 93 7.702 -5.277 -5.589 1.00 0.71 H new ATOM 0 HD13 LEU A 93 7.800 -6.140 -7.142 1.00 0.71 H new ATOM 0 HD21 LEU A 93 8.041 -3.660 -8.922 1.00 0.72 H new ATOM 0 HD22 LEU A 93 6.978 -5.053 -9.232 1.00 0.72 H new ATOM 0 HD23 LEU A 93 6.297 -3.410 -9.172 1.00 0.72 H new ATOM 1152 N GLU A 94 2.899 -5.156 -5.372 1.00 0.57 N ATOM 1153 CA GLU A 94 1.561 -5.746 -5.119 1.00 0.51 C ATOM 1154 C GLU A 94 0.619 -4.595 -4.786 1.00 0.45 C ATOM 1155 O GLU A 94 -0.484 -4.504 -5.286 1.00 0.47 O ATOM 1156 CB GLU A 94 1.643 -6.718 -3.939 1.00 0.54 C ATOM 1157 CG GLU A 94 1.892 -8.136 -4.459 1.00 0.67 C ATOM 1158 CD GLU A 94 3.228 -8.180 -5.203 1.00 3.04 C ATOM 1159 OE1 GLU A 94 4.222 -7.777 -4.622 1.00 4.10 O ATOM 1160 OE2 GLU A 94 3.234 -8.619 -6.342 1.00 4.05 O ATOM 0 H GLU A 94 3.637 -5.468 -4.741 1.00 0.57 H new ATOM 0 HA GLU A 94 1.203 -6.296 -5.989 1.00 0.51 H new ATOM 0 HB2 GLU A 94 2.446 -6.421 -3.265 1.00 0.54 H new ATOM 0 HB3 GLU A 94 0.717 -6.688 -3.365 1.00 0.54 H new ATOM 0 HG2 GLU A 94 1.903 -8.842 -3.629 1.00 0.67 H new ATOM 0 HG3 GLU A 94 1.083 -8.438 -5.124 1.00 0.67 H new ATOM 1167 N PHE A 95 1.071 -3.685 -3.965 1.00 0.39 N ATOM 1168 CA PHE A 95 0.233 -2.507 -3.619 1.00 0.34 C ATOM 1169 C PHE A 95 -0.174 -1.813 -4.917 1.00 0.34 C ATOM 1170 O PHE A 95 -1.220 -1.212 -5.011 1.00 0.31 O ATOM 1171 CB PHE A 95 1.059 -1.531 -2.776 1.00 0.36 C ATOM 1172 CG PHE A 95 0.812 -1.762 -1.306 1.00 0.36 C ATOM 1173 CD1 PHE A 95 -0.486 -1.973 -0.829 1.00 1.14 C ATOM 1174 CD2 PHE A 95 1.892 -1.758 -0.419 1.00 0.73 C ATOM 1175 CE1 PHE A 95 -0.702 -2.183 0.535 1.00 1.15 C ATOM 1176 CE2 PHE A 95 1.678 -1.968 0.945 1.00 0.72 C ATOM 1177 CZ PHE A 95 0.381 -2.182 1.423 1.00 0.36 C ATOM 0 H PHE A 95 1.988 -3.709 -3.519 1.00 0.39 H new ATOM 0 HA PHE A 95 -0.647 -2.822 -3.059 1.00 0.34 H new ATOM 0 HB2 PHE A 95 2.119 -1.657 -2.997 1.00 0.36 H new ATOM 0 HB3 PHE A 95 0.799 -0.505 -3.038 1.00 0.36 H new ATOM 0 HD1 PHE A 95 -1.320 -1.974 -1.515 1.00 1.14 H new ATOM 0 HD2 PHE A 95 2.893 -1.592 -0.789 1.00 0.73 H new ATOM 0 HE1 PHE A 95 -1.704 -2.346 0.905 1.00 1.15 H new ATOM 0 HE2 PHE A 95 2.513 -1.965 1.630 1.00 0.72 H new ATOM 0 HZ PHE A 95 0.215 -2.347 2.477 1.00 0.36 H new ATOM 1187 N GLU A 96 0.663 -1.904 -5.918 1.00 0.38 N ATOM 1188 CA GLU A 96 0.359 -1.267 -7.229 1.00 0.38 C ATOM 1189 C GLU A 96 -0.920 -1.870 -7.792 1.00 0.34 C ATOM 1190 O GLU A 96 -1.779 -1.170 -8.285 1.00 0.34 O ATOM 1191 CB GLU A 96 1.508 -1.524 -8.200 1.00 0.41 C ATOM 1192 CG GLU A 96 1.862 -0.227 -8.925 1.00 0.80 C ATOM 1193 CD GLU A 96 0.642 0.289 -9.690 1.00 1.43 C ATOM 1194 OE1 GLU A 96 0.070 -0.482 -10.443 1.00 1.50 O ATOM 1195 OE2 GLU A 96 0.301 1.446 -9.511 1.00 2.12 O ATOM 0 H GLU A 96 1.554 -2.399 -5.880 1.00 0.38 H new ATOM 0 HA GLU A 96 0.233 -0.193 -7.093 1.00 0.38 H new ATOM 0 HB2 GLU A 96 2.377 -1.900 -7.660 1.00 0.41 H new ATOM 0 HB3 GLU A 96 1.224 -2.290 -8.921 1.00 0.41 H new ATOM 0 HG2 GLU A 96 2.196 0.522 -8.207 1.00 0.80 H new ATOM 0 HG3 GLU A 96 2.689 -0.399 -9.614 1.00 0.80 H new ATOM 1202 N VAL A 97 -1.065 -3.166 -7.721 1.00 0.32 N ATOM 1203 CA VAL A 97 -2.326 -3.777 -8.246 1.00 0.27 C ATOM 1204 C VAL A 97 -3.502 -3.175 -7.457 1.00 0.32 C ATOM 1205 O VAL A 97 -4.516 -2.791 -8.012 1.00 0.38 O ATOM 1206 CB VAL A 97 -2.278 -5.321 -8.107 1.00 0.22 C ATOM 1207 CG1 VAL A 97 -2.871 -5.793 -6.767 1.00 0.60 C ATOM 1208 CG2 VAL A 97 -3.079 -5.951 -9.249 1.00 0.45 C ATOM 0 H VAL A 97 -0.384 -3.818 -7.332 1.00 0.32 H new ATOM 0 HA VAL A 97 -2.448 -3.559 -9.307 1.00 0.27 H new ATOM 0 HB VAL A 97 -1.233 -5.629 -8.146 1.00 0.22 H new ATOM 0 HG11 VAL A 97 -2.819 -6.880 -6.709 1.00 0.60 H new ATOM 0 HG12 VAL A 97 -2.303 -5.358 -5.945 1.00 0.60 H new ATOM 0 HG13 VAL A 97 -3.911 -5.476 -6.698 1.00 0.60 H new ATOM 0 HG21 VAL A 97 -3.050 -7.037 -9.158 1.00 0.45 H new ATOM 0 HG22 VAL A 97 -4.113 -5.610 -9.199 1.00 0.45 H new ATOM 0 HG23 VAL A 97 -2.645 -5.655 -10.204 1.00 0.45 H new ATOM 1218 N TYR A 98 -3.354 -3.075 -6.161 1.00 0.27 N ATOM 1219 CA TYR A 98 -4.442 -2.483 -5.328 1.00 0.29 C ATOM 1220 C TYR A 98 -4.597 -1.001 -5.680 1.00 0.29 C ATOM 1221 O TYR A 98 -5.638 -0.408 -5.477 1.00 0.28 O ATOM 1222 CB TYR A 98 -4.092 -2.630 -3.848 1.00 0.29 C ATOM 1223 CG TYR A 98 -4.189 -4.085 -3.459 1.00 0.31 C ATOM 1224 CD1 TYR A 98 -5.413 -4.617 -3.039 1.00 0.52 C ATOM 1225 CD2 TYR A 98 -3.057 -4.903 -3.527 1.00 0.51 C ATOM 1226 CE1 TYR A 98 -5.504 -5.969 -2.685 1.00 0.59 C ATOM 1227 CE2 TYR A 98 -3.147 -6.253 -3.174 1.00 0.53 C ATOM 1228 CZ TYR A 98 -4.370 -6.788 -2.753 1.00 0.44 C ATOM 1229 OH TYR A 98 -4.458 -8.120 -2.405 1.00 0.54 O ATOM 0 H TYR A 98 -2.528 -3.377 -5.645 1.00 0.27 H new ATOM 0 HA TYR A 98 -5.379 -3.003 -5.526 1.00 0.29 H new ATOM 0 HB2 TYR A 98 -3.085 -2.257 -3.661 1.00 0.29 H new ATOM 0 HB3 TYR A 98 -4.771 -2.032 -3.240 1.00 0.29 H new ATOM 0 HD1 TYR A 98 -6.287 -3.985 -2.988 1.00 0.52 H new ATOM 0 HD2 TYR A 98 -2.113 -4.492 -3.852 1.00 0.51 H new ATOM 0 HE1 TYR A 98 -6.448 -6.380 -2.360 1.00 0.59 H new ATOM 0 HE2 TYR A 98 -2.272 -6.884 -3.226 1.00 0.53 H new ATOM 0 HH TYR A 98 -3.572 -8.450 -2.148 1.00 0.54 H new ATOM 1239 N LEU A 99 -3.580 -0.408 -6.246 1.00 0.32 N ATOM 1240 CA LEU A 99 -3.681 1.017 -6.652 1.00 0.32 C ATOM 1241 C LEU A 99 -4.557 1.053 -7.890 1.00 0.32 C ATOM 1242 O LEU A 99 -5.320 1.971 -8.110 1.00 0.31 O ATOM 1243 CB LEU A 99 -2.297 1.576 -6.978 1.00 0.38 C ATOM 1244 CG LEU A 99 -1.525 1.795 -5.680 1.00 0.42 C ATOM 1245 CD1 LEU A 99 -0.059 2.082 -5.999 1.00 0.54 C ATOM 1246 CD2 LEU A 99 -2.129 2.980 -4.932 1.00 0.37 C ATOM 0 H LEU A 99 -2.684 -0.853 -6.444 1.00 0.32 H new ATOM 0 HA LEU A 99 -4.102 1.622 -5.849 1.00 0.32 H new ATOM 0 HB2 LEU A 99 -1.756 0.885 -7.625 1.00 0.38 H new ATOM 0 HB3 LEU A 99 -2.390 2.516 -7.522 1.00 0.38 H new ATOM 0 HG LEU A 99 -1.588 0.901 -5.060 1.00 0.42 H new ATOM 0 HD11 LEU A 99 0.491 2.238 -5.071 1.00 0.54 H new ATOM 0 HD12 LEU A 99 0.369 1.236 -6.537 1.00 0.54 H new ATOM 0 HD13 LEU A 99 0.010 2.977 -6.617 1.00 0.54 H new ATOM 0 HD21 LEU A 99 -1.581 3.141 -4.003 1.00 0.37 H new ATOM 0 HD22 LEU A 99 -2.063 3.874 -5.552 1.00 0.37 H new ATOM 0 HD23 LEU A 99 -3.175 2.772 -4.705 1.00 0.37 H new ATOM 1258 N GLU A 100 -4.489 0.009 -8.672 1.00 0.35 N ATOM 1259 CA GLU A 100 -5.351 -0.089 -9.864 1.00 0.37 C ATOM 1260 C GLU A 100 -6.783 -0.113 -9.341 1.00 0.31 C ATOM 1261 O GLU A 100 -7.697 0.419 -9.938 1.00 0.33 O ATOM 1262 CB GLU A 100 -5.029 -1.394 -10.591 1.00 0.41 C ATOM 1263 CG GLU A 100 -4.939 -1.148 -12.098 1.00 0.47 C ATOM 1264 CD GLU A 100 -6.242 -0.520 -12.601 1.00 0.83 C ATOM 1265 OE1 GLU A 100 -7.279 -0.822 -12.033 1.00 1.42 O ATOM 1266 OE2 GLU A 100 -6.180 0.252 -13.543 1.00 0.89 O ATOM 0 H GLU A 100 -3.864 -0.783 -8.526 1.00 0.35 H new ATOM 0 HA GLU A 100 -5.203 0.737 -10.559 1.00 0.37 H new ATOM 0 HB2 GLU A 100 -4.087 -1.801 -10.224 1.00 0.41 H new ATOM 0 HB3 GLU A 100 -5.799 -2.136 -10.381 1.00 0.41 H new ATOM 0 HG2 GLU A 100 -4.099 -0.490 -12.319 1.00 0.47 H new ATOM 0 HG3 GLU A 100 -4.753 -2.087 -12.618 1.00 0.47 H new ATOM 1273 N TYR A 101 -6.956 -0.712 -8.190 1.00 0.25 N ATOM 1274 CA TYR A 101 -8.292 -0.766 -7.553 1.00 0.21 C ATOM 1275 C TYR A 101 -8.781 0.658 -7.333 1.00 0.22 C ATOM 1276 O TYR A 101 -9.893 1.015 -7.674 1.00 0.25 O ATOM 1277 CB TYR A 101 -8.170 -1.469 -6.197 1.00 0.18 C ATOM 1278 CG TYR A 101 -9.300 -2.455 -6.032 1.00 0.17 C ATOM 1279 CD1 TYR A 101 -9.351 -3.593 -6.842 1.00 0.31 C ATOM 1280 CD2 TYR A 101 -10.294 -2.231 -5.072 1.00 0.35 C ATOM 1281 CE1 TYR A 101 -10.398 -4.510 -6.696 1.00 0.37 C ATOM 1282 CE2 TYR A 101 -11.341 -3.148 -4.926 1.00 0.31 C ATOM 1283 CZ TYR A 101 -11.394 -4.288 -5.738 1.00 0.21 C ATOM 1284 OH TYR A 101 -12.427 -5.191 -5.593 1.00 0.26 O ATOM 0 H TYR A 101 -6.213 -1.170 -7.663 1.00 0.25 H new ATOM 0 HA TYR A 101 -8.991 -1.310 -8.188 1.00 0.21 H new ATOM 0 HB2 TYR A 101 -7.212 -1.984 -6.129 1.00 0.18 H new ATOM 0 HB3 TYR A 101 -8.195 -0.734 -5.392 1.00 0.18 H new ATOM 0 HD1 TYR A 101 -8.582 -3.765 -7.581 1.00 0.31 H new ATOM 0 HD2 TYR A 101 -10.253 -1.352 -4.445 1.00 0.35 H new ATOM 0 HE1 TYR A 101 -10.437 -5.389 -7.322 1.00 0.37 H new ATOM 0 HE2 TYR A 101 -12.109 -2.976 -4.186 1.00 0.31 H new ATOM 0 HH TYR A 101 -12.638 -5.296 -4.642 1.00 0.26 H new ATOM 1294 N LEU A 102 -7.954 1.463 -6.743 1.00 0.22 N ATOM 1295 CA LEU A 102 -8.339 2.869 -6.460 1.00 0.22 C ATOM 1296 C LEU A 102 -7.921 3.778 -7.618 1.00 0.28 C ATOM 1297 O LEU A 102 -8.022 4.983 -7.530 1.00 0.35 O ATOM 1298 CB LEU A 102 -7.642 3.323 -5.177 1.00 0.21 C ATOM 1299 CG LEU A 102 -7.742 2.220 -4.117 1.00 0.20 C ATOM 1300 CD1 LEU A 102 -6.383 2.032 -3.443 1.00 0.25 C ATOM 1301 CD2 LEU A 102 -8.789 2.617 -3.083 1.00 0.21 C ATOM 0 H LEU A 102 -7.015 1.206 -6.440 1.00 0.22 H new ATOM 0 HA LEU A 102 -9.421 2.930 -6.342 1.00 0.22 H new ATOM 0 HB2 LEU A 102 -6.596 3.551 -5.381 1.00 0.21 H new ATOM 0 HB3 LEU A 102 -8.102 4.239 -4.807 1.00 0.21 H new ATOM 0 HG LEU A 102 -8.035 1.281 -4.586 1.00 0.20 H new ATOM 0 HD11 LEU A 102 -6.456 1.248 -2.690 1.00 0.25 H new ATOM 0 HD12 LEU A 102 -5.642 1.749 -4.191 1.00 0.25 H new ATOM 0 HD13 LEU A 102 -6.081 2.965 -2.967 1.00 0.25 H new ATOM 0 HD21 LEU A 102 -8.866 1.837 -2.325 1.00 0.21 H new ATOM 0 HD22 LEU A 102 -8.496 3.555 -2.610 1.00 0.21 H new ATOM 0 HD23 LEU A 102 -9.754 2.744 -3.573 1.00 0.21 H new ATOM 1313 N GLN A 103 -7.448 3.222 -8.698 1.00 0.28 N ATOM 1314 CA GLN A 103 -7.025 4.076 -9.841 1.00 0.35 C ATOM 1315 C GLN A 103 -8.256 4.481 -10.661 1.00 0.45 C ATOM 1316 O GLN A 103 -8.229 5.442 -11.404 1.00 0.58 O ATOM 1317 CB GLN A 103 -6.054 3.296 -10.730 1.00 0.47 C ATOM 1318 CG GLN A 103 -5.479 4.229 -11.798 1.00 0.56 C ATOM 1319 CD GLN A 103 -5.339 3.468 -13.118 1.00 0.88 C ATOM 1320 OE1 GLN A 103 -6.060 3.728 -14.060 1.00 2.08 O ATOM 1321 NE2 GLN A 103 -4.436 2.531 -13.226 1.00 0.82 N ATOM 0 H GLN A 103 -7.337 2.218 -8.838 1.00 0.28 H new ATOM 0 HA GLN A 103 -6.531 4.971 -9.462 1.00 0.35 H new ATOM 0 HB2 GLN A 103 -5.249 2.876 -10.127 1.00 0.47 H new ATOM 0 HB3 GLN A 103 -6.568 2.459 -11.202 1.00 0.47 H new ATOM 0 HG2 GLN A 103 -6.131 5.092 -11.931 1.00 0.56 H new ATOM 0 HG3 GLN A 103 -4.508 4.609 -11.480 1.00 0.56 H new ATOM 0 HE21 GLN A 103 -3.830 2.313 -12.435 1.00 0.82 H new ATOM 0 HE22 GLN A 103 -4.336 2.017 -14.102 1.00 0.82 H new ATOM 1330 N ASN A 104 -9.335 3.755 -10.533 1.00 0.44 N ATOM 1331 CA ASN A 104 -10.562 4.100 -11.309 1.00 0.57 C ATOM 1332 C ASN A 104 -11.760 4.208 -10.363 1.00 0.64 C ATOM 1333 O ASN A 104 -12.736 4.872 -10.656 1.00 0.68 O ATOM 1334 CB ASN A 104 -10.833 3.009 -12.348 1.00 0.78 C ATOM 1335 CG ASN A 104 -11.907 3.493 -13.324 1.00 1.56 C ATOM 1336 OD1 ASN A 104 -11.678 4.406 -14.093 1.00 1.25 O ATOM 1337 ND2 ASN A 104 -13.077 2.915 -13.327 1.00 2.80 N ATOM 0 H ASN A 104 -9.420 2.940 -9.926 1.00 0.44 H new ATOM 0 HA ASN A 104 -10.411 5.055 -11.812 1.00 0.57 H new ATOM 0 HB2 ASN A 104 -9.917 2.770 -12.888 1.00 0.78 H new ATOM 0 HB3 ASN A 104 -11.160 2.094 -11.854 1.00 0.78 H new ATOM 0 HD21 ASN A 104 -13.799 3.229 -13.975 1.00 2.80 H new ATOM 0 HD22 ASN A 104 -13.269 2.149 -12.682 1.00 2.80 H new ATOM 1344 N ARG A 105 -11.695 3.566 -9.230 1.00 0.70 N ATOM 1345 CA ARG A 105 -12.820 3.630 -8.265 1.00 0.87 C ATOM 1346 C ARG A 105 -13.141 5.095 -7.952 1.00 0.79 C ATOM 1347 O ARG A 105 -14.234 5.427 -7.539 1.00 0.91 O ATOM 1348 CB ARG A 105 -12.407 2.899 -6.985 1.00 1.07 C ATOM 1349 CG ARG A 105 -13.504 3.036 -5.934 1.00 2.46 C ATOM 1350 CD ARG A 105 -14.774 2.338 -6.424 1.00 1.74 C ATOM 1351 NE ARG A 105 -15.341 1.507 -5.325 1.00 2.18 N ATOM 1352 CZ ARG A 105 -16.216 2.021 -4.504 1.00 2.96 C ATOM 1353 NH1 ARG A 105 -15.862 2.978 -3.690 1.00 3.80 N ATOM 1354 NH2 ARG A 105 -17.443 1.577 -4.496 1.00 3.14 N ATOM 0 H ARG A 105 -10.903 2.996 -8.932 1.00 0.70 H new ATOM 0 HA ARG A 105 -13.707 3.158 -8.688 1.00 0.87 H new ATOM 0 HB2 ARG A 105 -12.226 1.846 -7.199 1.00 1.07 H new ATOM 0 HB3 ARG A 105 -11.473 3.312 -6.605 1.00 1.07 H new ATOM 0 HG2 ARG A 105 -13.176 2.597 -4.992 1.00 2.46 H new ATOM 0 HG3 ARG A 105 -13.707 4.089 -5.741 1.00 2.46 H new ATOM 0 HD2 ARG A 105 -15.506 3.078 -6.749 1.00 1.74 H new ATOM 0 HD3 ARG A 105 -14.548 1.712 -7.287 1.00 1.74 H new ATOM 0 HE ARG A 105 -15.046 0.537 -5.214 1.00 2.18 H new ATOM 0 HH11 ARG A 105 -14.902 3.324 -3.696 1.00 3.80 H new ATOM 0 HH12 ARG A 105 -16.545 3.380 -3.048 1.00 3.80 H new ATOM 0 HH21 ARG A 105 -17.719 0.828 -5.131 1.00 3.14 H new ATOM 0 HH22 ARG A 105 -18.127 1.979 -3.854 1.00 3.14 H new ATOM 1368 N PHE A 106 -12.196 5.974 -8.147 1.00 0.69 N ATOM 1369 CA PHE A 106 -12.451 7.414 -7.861 1.00 0.76 C ATOM 1370 C PHE A 106 -12.742 8.153 -9.168 1.00 0.66 C ATOM 1371 O PHE A 106 -11.965 8.971 -9.616 1.00 0.77 O ATOM 1372 CB PHE A 106 -11.220 8.026 -7.190 1.00 0.79 C ATOM 1373 CG PHE A 106 -11.382 7.956 -5.691 1.00 0.98 C ATOM 1374 CD1 PHE A 106 -12.301 8.793 -5.047 1.00 1.68 C ATOM 1375 CD2 PHE A 106 -10.615 7.052 -4.947 1.00 0.47 C ATOM 1376 CE1 PHE A 106 -12.452 8.726 -3.656 1.00 1.86 C ATOM 1377 CE2 PHE A 106 -10.766 6.986 -3.556 1.00 0.64 C ATOM 1378 CZ PHE A 106 -11.686 7.822 -2.912 1.00 1.34 C ATOM 0 H PHE A 106 -11.261 5.758 -8.491 1.00 0.69 H new ATOM 0 HA PHE A 106 -13.310 7.505 -7.196 1.00 0.76 H new ATOM 0 HB2 PHE A 106 -10.321 7.490 -7.495 1.00 0.79 H new ATOM 0 HB3 PHE A 106 -11.097 9.062 -7.506 1.00 0.79 H new ATOM 0 HD1 PHE A 106 -12.893 9.490 -5.622 1.00 1.68 H new ATOM 0 HD2 PHE A 106 -9.907 6.406 -5.445 1.00 0.47 H new ATOM 0 HE1 PHE A 106 -13.160 9.372 -3.158 1.00 1.86 H new ATOM 0 HE2 PHE A 106 -10.173 6.291 -2.981 1.00 0.64 H new ATOM 0 HZ PHE A 106 -11.805 7.769 -1.840 1.00 1.34 H new ATOM 1388 N GLU A 107 -13.858 7.872 -9.781 1.00 0.63 N ATOM 1389 CA GLU A 107 -14.202 8.561 -11.056 1.00 0.73 C ATOM 1390 C GLU A 107 -14.453 10.049 -10.792 1.00 0.99 C ATOM 1391 O GLU A 107 -14.477 10.853 -11.704 1.00 1.12 O ATOM 1392 CB GLU A 107 -15.462 7.931 -11.647 1.00 0.70 C ATOM 1393 CG GLU A 107 -16.634 8.122 -10.680 1.00 0.28 C ATOM 1394 CD GLU A 107 -17.717 7.084 -10.976 1.00 0.69 C ATOM 1395 OE1 GLU A 107 -17.365 5.990 -11.387 1.00 1.39 O ATOM 1396 OE2 GLU A 107 -18.880 7.400 -10.786 1.00 1.05 O ATOM 0 H GLU A 107 -14.547 7.195 -9.454 1.00 0.63 H new ATOM 0 HA GLU A 107 -13.374 8.456 -11.757 1.00 0.73 H new ATOM 0 HB2 GLU A 107 -15.693 8.389 -12.609 1.00 0.70 H new ATOM 0 HB3 GLU A 107 -15.298 6.869 -11.830 1.00 0.70 H new ATOM 0 HG2 GLU A 107 -16.290 8.020 -9.651 1.00 0.28 H new ATOM 0 HG3 GLU A 107 -17.042 9.128 -10.781 1.00 0.28 H new ATOM 1403 N SER A 108 -14.635 10.425 -9.555 1.00 1.11 N ATOM 1404 CA SER A 108 -14.878 11.861 -9.240 1.00 1.36 C ATOM 1405 C SER A 108 -13.534 12.534 -8.982 1.00 1.50 C ATOM 1406 O SER A 108 -13.256 13.610 -9.473 1.00 1.68 O ATOM 1407 CB SER A 108 -15.754 11.969 -7.991 1.00 1.47 C ATOM 1408 OG SER A 108 -17.008 11.349 -8.243 1.00 1.40 O ATOM 0 H SER A 108 -14.626 9.799 -8.749 1.00 1.11 H new ATOM 0 HA SER A 108 -15.385 12.347 -10.073 1.00 1.36 H new ATOM 0 HB2 SER A 108 -15.262 11.490 -7.145 1.00 1.47 H new ATOM 0 HB3 SER A 108 -15.900 13.016 -7.724 1.00 1.47 H new ATOM 0 HG SER A 108 -17.572 11.415 -7.444 1.00 1.40 H new ATOM 1414 N SER A 109 -12.693 11.889 -8.228 1.00 1.42 N ATOM 1415 CA SER A 109 -11.350 12.459 -7.940 1.00 1.54 C ATOM 1416 C SER A 109 -10.303 11.531 -8.548 1.00 1.28 C ATOM 1417 O SER A 109 -9.294 11.228 -7.944 1.00 1.19 O ATOM 1418 CB SER A 109 -11.141 12.552 -6.429 1.00 1.68 C ATOM 1419 OG SER A 109 -10.012 13.373 -6.162 1.00 1.93 O ATOM 0 H SER A 109 -12.879 10.984 -7.795 1.00 1.42 H new ATOM 0 HA SER A 109 -11.264 13.459 -8.366 1.00 1.54 H new ATOM 0 HB2 SER A 109 -12.029 12.968 -5.952 1.00 1.68 H new ATOM 0 HB3 SER A 109 -10.990 11.558 -6.009 1.00 1.68 H new ATOM 0 HG SER A 109 -10.312 14.277 -5.931 1.00 1.93 H new ATOM 1425 N GLU A 110 -10.554 11.065 -9.742 1.00 1.20 N ATOM 1426 CA GLU A 110 -9.606 10.140 -10.413 1.00 1.01 C ATOM 1427 C GLU A 110 -8.168 10.667 -10.305 1.00 1.07 C ATOM 1428 O GLU A 110 -7.217 9.913 -10.361 1.00 1.25 O ATOM 1429 CB GLU A 110 -9.998 10.013 -11.886 1.00 1.07 C ATOM 1430 CG GLU A 110 -9.061 9.028 -12.574 1.00 1.05 C ATOM 1431 CD GLU A 110 -9.871 8.089 -13.471 1.00 1.22 C ATOM 1432 OE1 GLU A 110 -10.446 7.150 -12.945 1.00 2.59 O ATOM 1433 OE2 GLU A 110 -9.905 8.325 -14.666 1.00 1.09 O ATOM 0 H GLU A 110 -11.387 11.291 -10.285 1.00 1.20 H new ATOM 0 HA GLU A 110 -9.652 9.166 -9.927 1.00 1.01 H new ATOM 0 HB2 GLU A 110 -11.030 9.671 -11.971 1.00 1.07 H new ATOM 0 HB3 GLU A 110 -9.943 10.986 -12.374 1.00 1.07 H new ATOM 0 HG2 GLU A 110 -8.323 9.567 -13.168 1.00 1.05 H new ATOM 0 HG3 GLU A 110 -8.512 8.452 -11.829 1.00 1.05 H new ATOM 1440 N GLU A 111 -8.001 11.954 -10.154 1.00 0.94 N ATOM 1441 CA GLU A 111 -6.625 12.520 -10.048 1.00 1.00 C ATOM 1442 C GLU A 111 -6.030 12.187 -8.676 1.00 0.85 C ATOM 1443 O GLU A 111 -4.920 11.705 -8.575 1.00 0.82 O ATOM 1444 CB GLU A 111 -6.685 14.037 -10.221 1.00 1.23 C ATOM 1445 CG GLU A 111 -6.403 14.400 -11.680 1.00 1.89 C ATOM 1446 CD GLU A 111 -5.597 15.697 -11.736 1.00 2.46 C ATOM 1447 OE1 GLU A 111 -6.091 16.700 -11.247 1.00 2.29 O ATOM 1448 OE2 GLU A 111 -4.501 15.668 -12.269 1.00 3.37 O ATOM 0 H GLU A 111 -8.757 12.637 -10.100 1.00 0.94 H new ATOM 0 HA GLU A 111 -5.997 12.087 -10.827 1.00 1.00 H new ATOM 0 HB2 GLU A 111 -7.667 14.408 -9.927 1.00 1.23 H new ATOM 0 HB3 GLU A 111 -5.955 14.516 -9.569 1.00 1.23 H new ATOM 0 HG2 GLU A 111 -5.851 13.595 -12.166 1.00 1.89 H new ATOM 0 HG3 GLU A 111 -7.340 14.518 -12.224 1.00 1.89 H new ATOM 1455 N GLN A 112 -6.756 12.437 -7.618 1.00 0.85 N ATOM 1456 CA GLN A 112 -6.219 12.130 -6.260 1.00 0.75 C ATOM 1457 C GLN A 112 -5.904 10.637 -6.172 1.00 0.49 C ATOM 1458 O GLN A 112 -4.894 10.235 -5.630 1.00 0.38 O ATOM 1459 CB GLN A 112 -7.259 12.495 -5.198 1.00 0.90 C ATOM 1460 CG GLN A 112 -7.509 14.005 -5.224 1.00 1.15 C ATOM 1461 CD GLN A 112 -6.473 14.713 -4.350 1.00 1.66 C ATOM 1462 OE1 GLN A 112 -6.765 15.105 -3.238 1.00 1.42 O ATOM 1463 NE2 GLN A 112 -5.266 14.899 -4.810 1.00 2.80 N ATOM 0 H GLN A 112 -7.693 12.839 -7.635 1.00 0.85 H new ATOM 0 HA GLN A 112 -5.312 12.710 -6.087 1.00 0.75 H new ATOM 0 HB2 GLN A 112 -8.189 11.959 -5.386 1.00 0.90 H new ATOM 0 HB3 GLN A 112 -6.909 12.191 -4.212 1.00 0.90 H new ATOM 0 HG2 GLN A 112 -7.450 14.376 -6.247 1.00 1.15 H new ATOM 0 HG3 GLN A 112 -8.514 14.223 -4.863 1.00 1.15 H new ATOM 0 HE21 GLN A 112 -5.020 14.570 -5.744 1.00 2.80 H new ATOM 0 HE22 GLN A 112 -4.569 15.373 -4.236 1.00 2.80 H new ATOM 1472 N ALA A 113 -6.759 9.812 -6.711 1.00 0.41 N ATOM 1473 CA ALA A 113 -6.504 8.345 -6.670 1.00 0.22 C ATOM 1474 C ALA A 113 -5.200 8.051 -7.412 1.00 0.10 C ATOM 1475 O ALA A 113 -4.351 7.320 -6.942 1.00 0.17 O ATOM 1476 CB ALA A 113 -7.660 7.610 -7.349 1.00 0.27 C ATOM 0 H ALA A 113 -7.622 10.090 -7.178 1.00 0.41 H new ATOM 0 HA ALA A 113 -6.424 8.008 -5.636 1.00 0.22 H new ATOM 0 HB1 ALA A 113 -7.475 6.536 -7.320 1.00 0.27 H new ATOM 0 HB2 ALA A 113 -8.590 7.833 -6.826 1.00 0.27 H new ATOM 0 HB3 ALA A 113 -7.740 7.937 -8.386 1.00 0.27 H new ATOM 1482 N ARG A 114 -5.032 8.628 -8.570 1.00 0.40 N ATOM 1483 CA ARG A 114 -3.782 8.396 -9.343 1.00 0.57 C ATOM 1484 C ARG A 114 -2.599 9.023 -8.599 1.00 0.56 C ATOM 1485 O ARG A 114 -1.457 8.693 -8.847 1.00 0.59 O ATOM 1486 CB ARG A 114 -3.912 9.043 -10.721 1.00 0.80 C ATOM 1487 CG ARG A 114 -2.910 8.400 -11.681 1.00 0.97 C ATOM 1488 CD ARG A 114 -2.955 9.127 -13.025 1.00 1.25 C ATOM 1489 NE ARG A 114 -2.090 8.411 -14.005 1.00 1.61 N ATOM 1490 CZ ARG A 114 -2.617 7.883 -15.078 1.00 1.91 C ATOM 1491 NH1 ARG A 114 -3.123 8.653 -16.002 1.00 1.86 N ATOM 1492 NH2 ARG A 114 -2.638 6.587 -15.223 1.00 2.72 N ATOM 0 H ARG A 114 -5.708 9.250 -9.014 1.00 0.40 H new ATOM 0 HA ARG A 114 -3.616 7.324 -9.455 1.00 0.57 H new ATOM 0 HB2 ARG A 114 -4.927 8.918 -11.099 1.00 0.80 H new ATOM 0 HB3 ARG A 114 -3.728 10.115 -10.650 1.00 0.80 H new ATOM 0 HG2 ARG A 114 -1.905 8.450 -11.262 1.00 0.97 H new ATOM 0 HG3 ARG A 114 -3.147 7.345 -11.818 1.00 0.97 H new ATOM 0 HD2 ARG A 114 -3.980 9.171 -13.393 1.00 1.25 H new ATOM 0 HD3 ARG A 114 -2.614 10.156 -12.906 1.00 1.25 H new ATOM 0 HE ARG A 114 -1.087 8.333 -13.838 1.00 1.61 H new ATOM 0 HH11 ARG A 114 -3.107 9.666 -15.887 1.00 1.86 H new ATOM 0 HH12 ARG A 114 -3.534 8.242 -16.840 1.00 1.86 H new ATOM 0 HH21 ARG A 114 -2.243 5.986 -14.499 1.00 2.72 H new ATOM 0 HH22 ARG A 114 -3.049 6.174 -16.060 1.00 2.72 H new ATOM 1506 N ALA A 115 -2.860 9.925 -7.693 1.00 0.52 N ATOM 1507 CA ALA A 115 -1.750 10.570 -6.940 1.00 0.52 C ATOM 1508 C ALA A 115 -1.158 9.570 -5.946 1.00 0.48 C ATOM 1509 O ALA A 115 0.042 9.397 -5.867 1.00 0.76 O ATOM 1510 CB ALA A 115 -2.285 11.787 -6.185 1.00 0.51 C ATOM 0 H ALA A 115 -3.796 10.243 -7.442 1.00 0.52 H new ATOM 0 HA ALA A 115 -0.975 10.888 -7.637 1.00 0.52 H new ATOM 0 HB1 ALA A 115 -1.472 12.259 -5.634 1.00 0.51 H new ATOM 0 HB2 ALA A 115 -2.704 12.500 -6.895 1.00 0.51 H new ATOM 0 HB3 ALA A 115 -3.061 11.470 -5.488 1.00 0.51 H new ATOM 1516 N VAL A 116 -1.989 8.907 -5.185 1.00 0.19 N ATOM 1517 CA VAL A 116 -1.461 7.919 -4.201 1.00 0.19 C ATOM 1518 C VAL A 116 -0.827 6.748 -4.963 1.00 0.26 C ATOM 1519 O VAL A 116 0.110 6.126 -4.505 1.00 0.38 O ATOM 1520 CB VAL A 116 -2.607 7.424 -3.293 1.00 0.18 C ATOM 1521 CG1 VAL A 116 -3.476 6.383 -4.014 1.00 0.32 C ATOM 1522 CG2 VAL A 116 -2.010 6.795 -2.030 1.00 0.54 C ATOM 0 H VAL A 116 -3.004 9.006 -5.202 1.00 0.19 H new ATOM 0 HA VAL A 116 -0.704 8.386 -3.571 1.00 0.19 H new ATOM 0 HB VAL A 116 -3.235 8.276 -3.034 1.00 0.18 H new ATOM 0 HG11 VAL A 116 -4.275 6.053 -3.350 1.00 0.32 H new ATOM 0 HG12 VAL A 116 -3.910 6.828 -4.909 1.00 0.32 H new ATOM 0 HG13 VAL A 116 -2.861 5.528 -4.295 1.00 0.32 H new ATOM 0 HG21 VAL A 116 -2.814 6.443 -1.384 1.00 0.54 H new ATOM 0 HG22 VAL A 116 -1.374 5.955 -2.308 1.00 0.54 H new ATOM 0 HG23 VAL A 116 -1.417 7.539 -1.498 1.00 0.54 H new ATOM 1532 N GLN A 117 -1.343 6.446 -6.125 1.00 0.18 N ATOM 1533 CA GLN A 117 -0.791 5.322 -6.928 1.00 0.24 C ATOM 1534 C GLN A 117 0.632 5.663 -7.375 1.00 0.46 C ATOM 1535 O GLN A 117 1.593 5.068 -6.929 1.00 0.74 O ATOM 1536 CB GLN A 117 -1.683 5.103 -8.154 1.00 0.02 C ATOM 1537 CG GLN A 117 -1.067 4.038 -9.063 1.00 0.32 C ATOM 1538 CD GLN A 117 -2.056 3.677 -10.172 1.00 0.87 C ATOM 1539 OE1 GLN A 117 -2.919 2.843 -9.985 1.00 2.14 O ATOM 1540 NE2 GLN A 117 -1.968 4.277 -11.327 1.00 1.09 N ATOM 0 H GLN A 117 -2.129 6.935 -6.553 1.00 0.18 H new ATOM 0 HA GLN A 117 -0.766 4.413 -6.327 1.00 0.24 H new ATOM 0 HB2 GLN A 117 -2.679 4.792 -7.839 1.00 0.02 H new ATOM 0 HB3 GLN A 117 -1.799 6.038 -8.702 1.00 0.02 H new ATOM 0 HG2 GLN A 117 -0.138 4.408 -9.497 1.00 0.32 H new ATOM 0 HG3 GLN A 117 -0.816 3.150 -8.482 1.00 0.32 H new ATOM 0 HE21 GLN A 117 -1.243 4.977 -11.484 1.00 1.09 H new ATOM 0 HE22 GLN A 117 -2.624 4.046 -12.073 1.00 1.09 H new ATOM 1549 N MET A 118 0.773 6.616 -8.255 1.00 0.54 N ATOM 1550 CA MET A 118 2.131 6.999 -8.738 1.00 0.76 C ATOM 1551 C MET A 118 3.057 7.239 -7.541 1.00 0.65 C ATOM 1552 O MET A 118 4.260 7.126 -7.647 1.00 0.67 O ATOM 1553 CB MET A 118 2.026 8.277 -9.573 1.00 0.90 C ATOM 1554 CG MET A 118 1.047 8.051 -10.728 1.00 1.03 C ATOM 1555 SD MET A 118 1.757 8.701 -12.262 1.00 0.89 S ATOM 1556 CE MET A 118 1.763 10.446 -11.786 1.00 1.22 C ATOM 0 H MET A 118 0.004 7.148 -8.662 1.00 0.54 H new ATOM 0 HA MET A 118 2.541 6.195 -9.350 1.00 0.76 H new ATOM 0 HB2 MET A 118 1.686 9.104 -8.950 1.00 0.90 H new ATOM 0 HB3 MET A 118 3.007 8.552 -9.961 1.00 0.90 H new ATOM 0 HG2 MET A 118 0.835 6.987 -10.836 1.00 1.03 H new ATOM 0 HG3 MET A 118 0.099 8.545 -10.516 1.00 1.03 H new ATOM 0 HE1 MET A 118 1.876 11.065 -12.676 1.00 1.22 H new ATOM 0 HE2 MET A 118 0.824 10.691 -11.290 1.00 1.22 H new ATOM 0 HE3 MET A 118 2.593 10.635 -11.105 1.00 1.22 H new ATOM 1566 N SER A 119 2.503 7.564 -6.402 1.00 0.78 N ATOM 1567 CA SER A 119 3.352 7.802 -5.201 1.00 0.86 C ATOM 1568 C SER A 119 4.059 6.498 -4.817 1.00 0.72 C ATOM 1569 O SER A 119 5.270 6.430 -4.764 1.00 0.59 O ATOM 1570 CB SER A 119 2.473 8.265 -4.039 1.00 1.18 C ATOM 1571 OG SER A 119 3.294 8.817 -3.020 1.00 1.69 O ATOM 0 H SER A 119 1.500 7.674 -6.253 1.00 0.78 H new ATOM 0 HA SER A 119 4.093 8.570 -5.423 1.00 0.86 H new ATOM 0 HB2 SER A 119 1.754 9.008 -4.385 1.00 1.18 H new ATOM 0 HB3 SER A 119 1.899 7.426 -3.645 1.00 1.18 H new ATOM 0 HG SER A 119 3.408 9.778 -3.176 1.00 1.69 H new ATOM 1577 N THR A 120 3.313 5.458 -4.554 1.00 0.81 N ATOM 1578 CA THR A 120 3.951 4.160 -4.183 1.00 0.79 C ATOM 1579 C THR A 120 4.732 3.621 -5.387 1.00 0.65 C ATOM 1580 O THR A 120 5.596 2.778 -5.250 1.00 0.60 O ATOM 1581 CB THR A 120 2.881 3.137 -3.775 1.00 1.06 C ATOM 1582 OG1 THR A 120 2.330 2.541 -4.940 1.00 1.38 O ATOM 1583 CG2 THR A 120 1.771 3.824 -2.976 1.00 0.84 C ATOM 0 H THR A 120 2.293 5.450 -4.580 1.00 0.81 H new ATOM 0 HA THR A 120 4.624 4.323 -3.341 1.00 0.79 H new ATOM 0 HB THR A 120 3.341 2.370 -3.152 1.00 1.06 H new ATOM 0 HG1 THR A 120 2.237 1.575 -4.801 1.00 1.38 H new ATOM 0 HG21 THR A 120 1.018 3.088 -2.692 1.00 0.84 H new ATOM 0 HG22 THR A 120 2.194 4.275 -2.078 1.00 0.84 H new ATOM 0 HG23 THR A 120 1.309 4.599 -3.587 1.00 0.84 H new ATOM 1591 N LYS A 121 4.448 4.116 -6.564 1.00 0.61 N ATOM 1592 CA LYS A 121 5.188 3.650 -7.768 1.00 0.47 C ATOM 1593 C LYS A 121 6.521 4.397 -7.815 1.00 0.36 C ATOM 1594 O LYS A 121 7.488 3.944 -8.393 1.00 0.12 O ATOM 1595 CB LYS A 121 4.373 3.981 -9.022 1.00 0.51 C ATOM 1596 CG LYS A 121 4.258 2.740 -9.907 1.00 0.79 C ATOM 1597 CD LYS A 121 4.498 3.128 -11.368 1.00 0.79 C ATOM 1598 CE LYS A 121 5.996 3.328 -11.608 1.00 2.17 C ATOM 1599 NZ LYS A 121 6.318 4.781 -11.549 1.00 3.68 N ATOM 0 H LYS A 121 3.735 4.823 -6.741 1.00 0.61 H new ATOM 0 HA LYS A 121 5.354 2.574 -7.725 1.00 0.47 H new ATOM 0 HB2 LYS A 121 3.380 4.331 -8.740 1.00 0.51 H new ATOM 0 HB3 LYS A 121 4.851 4.790 -9.575 1.00 0.51 H new ATOM 0 HG2 LYS A 121 4.985 1.990 -9.595 1.00 0.79 H new ATOM 0 HG3 LYS A 121 3.270 2.292 -9.797 1.00 0.79 H new ATOM 0 HD2 LYS A 121 4.114 2.351 -12.029 1.00 0.79 H new ATOM 0 HD3 LYS A 121 3.956 4.044 -11.605 1.00 0.79 H new ATOM 0 HE2 LYS A 121 6.571 2.786 -10.857 1.00 2.17 H new ATOM 0 HE3 LYS A 121 6.277 2.921 -12.579 1.00 2.17 H new ATOM 0 HZ1 LYS A 121 7.022 5.010 -12.279 1.00 3.68 H new ATOM 0 HZ2 LYS A 121 5.454 5.335 -11.715 1.00 3.68 H new ATOM 0 HZ3 LYS A 121 6.703 5.013 -10.611 1.00 3.68 H new ATOM 1613 N VAL A 122 6.569 5.541 -7.195 1.00 0.56 N ATOM 1614 CA VAL A 122 7.816 6.337 -7.171 1.00 0.49 C ATOM 1615 C VAL A 122 8.778 5.738 -6.140 1.00 0.44 C ATOM 1616 O VAL A 122 9.974 5.779 -6.315 1.00 0.33 O ATOM 1617 CB VAL A 122 7.472 7.777 -6.794 1.00 0.55 C ATOM 1618 CG1 VAL A 122 8.753 8.593 -6.646 1.00 0.54 C ATOM 1619 CG2 VAL A 122 6.605 8.392 -7.894 1.00 0.59 C ATOM 0 H VAL A 122 5.783 5.961 -6.698 1.00 0.56 H new ATOM 0 HA VAL A 122 8.293 6.322 -8.151 1.00 0.49 H new ATOM 0 HB VAL A 122 6.930 7.783 -5.848 1.00 0.55 H new ATOM 0 HG11 VAL A 122 8.502 9.619 -6.377 1.00 0.54 H new ATOM 0 HG12 VAL A 122 9.375 8.155 -5.865 1.00 0.54 H new ATOM 0 HG13 VAL A 122 9.298 8.588 -7.590 1.00 0.54 H new ATOM 0 HG21 VAL A 122 6.357 9.420 -7.630 1.00 0.59 H new ATOM 0 HG22 VAL A 122 7.152 8.382 -8.837 1.00 0.59 H new ATOM 0 HG23 VAL A 122 5.688 7.813 -8.001 1.00 0.59 H new ATOM 1629 N LEU A 123 8.276 5.180 -5.066 1.00 0.54 N ATOM 1630 CA LEU A 123 9.200 4.584 -4.049 1.00 0.54 C ATOM 1631 C LEU A 123 9.569 3.156 -4.459 1.00 0.58 C ATOM 1632 O LEU A 123 10.632 2.664 -4.140 1.00 0.55 O ATOM 1633 CB LEU A 123 8.530 4.533 -2.665 1.00 0.76 C ATOM 1634 CG LEU A 123 8.271 5.943 -2.116 1.00 0.53 C ATOM 1635 CD1 LEU A 123 9.490 6.850 -2.327 1.00 0.90 C ATOM 1636 CD2 LEU A 123 7.054 6.534 -2.820 1.00 0.55 C ATOM 0 H LEU A 123 7.281 5.111 -4.850 1.00 0.54 H new ATOM 0 HA LEU A 123 10.092 5.208 -3.997 1.00 0.54 H new ATOM 0 HB2 LEU A 123 7.588 3.989 -2.735 1.00 0.76 H new ATOM 0 HB3 LEU A 123 9.165 3.982 -1.972 1.00 0.76 H new ATOM 0 HG LEU A 123 8.086 5.875 -1.044 1.00 0.53 H new ATOM 0 HD11 LEU A 123 9.278 7.842 -1.929 1.00 0.90 H new ATOM 0 HD12 LEU A 123 10.352 6.428 -1.810 1.00 0.90 H new ATOM 0 HD13 LEU A 123 9.707 6.925 -3.392 1.00 0.90 H new ATOM 0 HD21 LEU A 123 6.863 7.536 -2.436 1.00 0.55 H new ATOM 0 HD22 LEU A 123 7.244 6.586 -3.892 1.00 0.55 H new ATOM 0 HD23 LEU A 123 6.185 5.903 -2.636 1.00 0.55 H new ATOM 1648 N ILE A 124 8.696 2.486 -5.154 1.00 0.68 N ATOM 1649 CA ILE A 124 8.980 1.098 -5.575 1.00 0.78 C ATOM 1650 C ILE A 124 10.019 1.119 -6.699 1.00 0.63 C ATOM 1651 O ILE A 124 10.925 0.308 -6.742 1.00 0.57 O ATOM 1652 CB ILE A 124 7.660 0.475 -6.039 1.00 1.07 C ATOM 1653 CG1 ILE A 124 7.832 -1.041 -6.211 1.00 1.68 C ATOM 1654 CG2 ILE A 124 7.200 1.133 -7.340 1.00 1.72 C ATOM 1655 CD1 ILE A 124 8.240 -1.370 -7.645 1.00 2.91 C ATOM 0 H ILE A 124 7.790 2.849 -5.449 1.00 0.68 H new ATOM 0 HA ILE A 124 9.388 0.504 -4.757 1.00 0.78 H new ATOM 0 HB ILE A 124 6.892 0.647 -5.285 1.00 1.07 H new ATOM 0 HG12 ILE A 124 8.588 -1.409 -5.517 1.00 1.68 H new ATOM 0 HG13 ILE A 124 6.900 -1.550 -5.965 1.00 1.68 H new ATOM 0 HG21 ILE A 124 6.261 0.684 -7.663 1.00 1.72 H new ATOM 0 HG22 ILE A 124 7.054 2.201 -7.176 1.00 1.72 H new ATOM 0 HG23 ILE A 124 7.957 0.984 -8.110 1.00 1.72 H new ATOM 0 HD11 ILE A 124 8.358 -2.448 -7.751 1.00 2.91 H new ATOM 0 HD12 ILE A 124 7.470 -1.020 -8.332 1.00 2.91 H new ATOM 0 HD13 ILE A 124 9.184 -0.877 -7.877 1.00 2.91 H new ATOM 1667 N GLN A 125 9.904 2.056 -7.600 1.00 0.63 N ATOM 1668 CA GLN A 125 10.882 2.151 -8.709 1.00 0.62 C ATOM 1669 C GLN A 125 12.135 2.867 -8.208 1.00 0.42 C ATOM 1670 O GLN A 125 13.243 2.536 -8.579 1.00 0.40 O ATOM 1671 CB GLN A 125 10.254 2.943 -9.851 1.00 0.81 C ATOM 1672 CG GLN A 125 9.690 1.969 -10.883 1.00 1.01 C ATOM 1673 CD GLN A 125 10.138 2.392 -12.283 1.00 1.08 C ATOM 1674 OE1 GLN A 125 9.463 3.155 -12.945 1.00 1.50 O ATOM 1675 NE2 GLN A 125 11.257 1.924 -12.767 1.00 1.43 N ATOM 0 H GLN A 125 9.168 2.762 -7.611 1.00 0.63 H new ATOM 0 HA GLN A 125 11.153 1.156 -9.062 1.00 0.62 H new ATOM 0 HB2 GLN A 125 9.462 3.588 -9.470 1.00 0.81 H new ATOM 0 HB3 GLN A 125 10.999 3.591 -10.313 1.00 0.81 H new ATOM 0 HG2 GLN A 125 10.034 0.957 -10.670 1.00 1.01 H new ATOM 0 HG3 GLN A 125 8.602 1.954 -10.827 1.00 1.01 H new ATOM 0 HE21 GLN A 125 11.824 1.283 -12.212 1.00 1.43 H new ATOM 0 HE22 GLN A 125 11.564 2.199 -13.700 1.00 1.43 H new ATOM 1684 N PHE A 126 11.970 3.841 -7.355 1.00 0.34 N ATOM 1685 CA PHE A 126 13.154 4.568 -6.819 1.00 0.23 C ATOM 1686 C PHE A 126 14.001 3.591 -6.008 1.00 0.18 C ATOM 1687 O PHE A 126 15.201 3.727 -5.916 1.00 0.30 O ATOM 1688 CB PHE A 126 12.698 5.711 -5.903 1.00 0.14 C ATOM 1689 CG PHE A 126 12.350 6.940 -6.719 1.00 0.40 C ATOM 1690 CD1 PHE A 126 11.764 6.812 -7.988 1.00 0.52 C ATOM 1691 CD2 PHE A 126 12.613 8.213 -6.199 1.00 0.59 C ATOM 1692 CE1 PHE A 126 11.445 7.954 -8.731 1.00 0.77 C ATOM 1693 CE2 PHE A 126 12.293 9.355 -6.944 1.00 0.85 C ATOM 1694 CZ PHE A 126 11.709 9.226 -8.209 1.00 0.93 C ATOM 0 H PHE A 126 11.067 4.164 -7.007 1.00 0.34 H new ATOM 0 HA PHE A 126 13.732 4.980 -7.646 1.00 0.23 H new ATOM 0 HB2 PHE A 126 11.831 5.396 -5.322 1.00 0.14 H new ATOM 0 HB3 PHE A 126 13.488 5.952 -5.191 1.00 0.14 H new ATOM 0 HD1 PHE A 126 11.559 5.831 -8.391 1.00 0.52 H new ATOM 0 HD2 PHE A 126 13.063 8.314 -5.222 1.00 0.59 H new ATOM 0 HE1 PHE A 126 10.995 7.854 -9.708 1.00 0.77 H new ATOM 0 HE2 PHE A 126 12.497 10.336 -6.542 1.00 0.85 H new ATOM 0 HZ PHE A 126 11.462 10.107 -8.782 1.00 0.93 H new ATOM 1704 N LEU A 127 13.379 2.611 -5.412 1.00 0.17 N ATOM 1705 CA LEU A 127 14.140 1.624 -4.596 1.00 0.29 C ATOM 1706 C LEU A 127 14.898 0.664 -5.517 1.00 0.36 C ATOM 1707 O LEU A 127 16.085 0.456 -5.366 1.00 0.62 O ATOM 1708 CB LEU A 127 13.163 0.829 -3.727 1.00 0.40 C ATOM 1709 CG LEU A 127 12.771 1.665 -2.509 1.00 0.23 C ATOM 1710 CD1 LEU A 127 11.515 1.076 -1.866 1.00 0.73 C ATOM 1711 CD2 LEU A 127 13.916 1.654 -1.492 1.00 0.39 C ATOM 0 H LEU A 127 12.373 2.451 -5.455 1.00 0.17 H new ATOM 0 HA LEU A 127 14.853 2.151 -3.962 1.00 0.29 H new ATOM 0 HB2 LEU A 127 12.276 0.568 -4.304 1.00 0.40 H new ATOM 0 HB3 LEU A 127 13.622 -0.107 -3.407 1.00 0.40 H new ATOM 0 HG LEU A 127 12.572 2.690 -2.823 1.00 0.23 H new ATOM 0 HD11 LEU A 127 11.237 1.673 -0.998 1.00 0.73 H new ATOM 0 HD12 LEU A 127 10.699 1.084 -2.588 1.00 0.73 H new ATOM 0 HD13 LEU A 127 11.713 0.051 -1.553 1.00 0.73 H new ATOM 0 HD21 LEU A 127 13.637 2.250 -0.623 1.00 0.39 H new ATOM 0 HD22 LEU A 127 14.115 0.629 -1.180 1.00 0.39 H new ATOM 0 HD23 LEU A 127 14.812 2.075 -1.948 1.00 0.39 H new ATOM 1723 N GLN A 128 14.221 0.072 -6.464 1.00 0.27 N ATOM 1724 CA GLN A 128 14.906 -0.880 -7.385 1.00 0.31 C ATOM 1725 C GLN A 128 16.139 -0.210 -8.002 1.00 0.31 C ATOM 1726 O GLN A 128 17.217 -0.769 -8.023 1.00 0.42 O ATOM 1727 CB GLN A 128 13.944 -1.295 -8.502 1.00 0.30 C ATOM 1728 CG GLN A 128 12.601 -1.720 -7.897 1.00 0.69 C ATOM 1729 CD GLN A 128 12.240 -3.135 -8.364 1.00 1.27 C ATOM 1730 OE1 GLN A 128 13.035 -3.809 -8.989 1.00 1.71 O ATOM 1731 NE2 GLN A 128 11.059 -3.617 -8.083 1.00 2.14 N ATOM 0 H GLN A 128 13.225 0.206 -6.639 1.00 0.27 H new ATOM 0 HA GLN A 128 15.216 -1.760 -6.822 1.00 0.31 H new ATOM 0 HB2 GLN A 128 13.796 -0.466 -9.194 1.00 0.30 H new ATOM 0 HB3 GLN A 128 14.371 -2.117 -9.076 1.00 0.30 H new ATOM 0 HG2 GLN A 128 12.657 -1.691 -6.809 1.00 0.69 H new ATOM 0 HG3 GLN A 128 11.821 -1.020 -8.195 1.00 0.69 H new ATOM 0 HE21 GLN A 128 10.390 -3.054 -7.559 1.00 2.14 H new ATOM 0 HE22 GLN A 128 10.806 -4.557 -8.388 1.00 2.14 H new ATOM 1740 N LYS A 129 15.985 0.983 -8.509 1.00 0.42 N ATOM 1741 CA LYS A 129 17.142 1.689 -9.131 1.00 0.59 C ATOM 1742 C LYS A 129 18.219 1.963 -8.079 1.00 0.63 C ATOM 1743 O LYS A 129 19.374 1.629 -8.262 1.00 0.82 O ATOM 1744 CB LYS A 129 16.667 3.017 -9.723 1.00 0.57 C ATOM 1745 CG LYS A 129 15.905 2.751 -11.022 1.00 0.84 C ATOM 1746 CD LYS A 129 15.544 4.083 -11.684 1.00 1.02 C ATOM 1747 CE LYS A 129 16.052 4.088 -13.128 1.00 1.43 C ATOM 1748 NZ LYS A 129 15.304 5.111 -13.915 1.00 2.01 N ATOM 0 H LYS A 129 15.106 1.500 -8.519 1.00 0.42 H new ATOM 0 HA LYS A 129 17.561 1.061 -9.917 1.00 0.59 H new ATOM 0 HB2 LYS A 129 16.025 3.536 -9.011 1.00 0.57 H new ATOM 0 HB3 LYS A 129 17.520 3.668 -9.916 1.00 0.57 H new ATOM 0 HG2 LYS A 129 16.515 2.151 -11.697 1.00 0.84 H new ATOM 0 HG3 LYS A 129 15.001 2.179 -10.815 1.00 0.84 H new ATOM 0 HD2 LYS A 129 14.464 4.229 -11.666 1.00 1.02 H new ATOM 0 HD3 LYS A 129 15.987 4.910 -11.128 1.00 1.02 H new ATOM 0 HE2 LYS A 129 17.120 4.307 -13.148 1.00 1.43 H new ATOM 0 HE3 LYS A 129 15.920 3.102 -13.575 1.00 1.43 H new ATOM 0 HZ1 LYS A 129 15.649 5.115 -14.896 1.00 2.01 H new ATOM 0 HZ2 LYS A 129 14.289 4.883 -13.906 1.00 2.01 H new ATOM 0 HZ3 LYS A 129 15.451 6.050 -13.493 1.00 2.01 H new ATOM 1762 N LYS A 130 17.859 2.574 -6.985 1.00 0.51 N ATOM 1763 CA LYS A 130 18.874 2.872 -5.935 1.00 0.66 C ATOM 1764 C LYS A 130 18.960 1.713 -4.936 1.00 0.68 C ATOM 1765 O LYS A 130 19.345 1.898 -3.799 1.00 0.66 O ATOM 1766 CB LYS A 130 18.498 4.172 -5.205 1.00 0.69 C ATOM 1767 CG LYS A 130 17.285 3.944 -4.297 1.00 0.75 C ATOM 1768 CD LYS A 130 17.744 3.867 -2.839 1.00 0.59 C ATOM 1769 CE LYS A 130 17.253 2.558 -2.216 1.00 1.43 C ATOM 1770 NZ LYS A 130 18.258 2.060 -1.232 1.00 1.55 N ATOM 0 H LYS A 130 16.909 2.879 -6.772 1.00 0.51 H new ATOM 0 HA LYS A 130 19.848 2.996 -6.408 1.00 0.66 H new ATOM 0 HB2 LYS A 130 19.343 4.521 -4.612 1.00 0.69 H new ATOM 0 HB3 LYS A 130 18.274 4.953 -5.932 1.00 0.69 H new ATOM 0 HG2 LYS A 130 16.567 4.755 -4.421 1.00 0.75 H new ATOM 0 HG3 LYS A 130 16.776 3.022 -4.578 1.00 0.75 H new ATOM 0 HD2 LYS A 130 18.831 3.922 -2.786 1.00 0.59 H new ATOM 0 HD3 LYS A 130 17.354 4.717 -2.279 1.00 0.59 H new ATOM 0 HE2 LYS A 130 16.294 2.716 -1.722 1.00 1.43 H new ATOM 0 HE3 LYS A 130 17.091 1.812 -2.994 1.00 1.43 H new ATOM 0 HZ1 LYS A 130 18.007 1.095 -0.938 1.00 1.55 H new ATOM 0 HZ2 LYS A 130 19.201 2.054 -1.671 1.00 1.55 H new ATOM 0 HZ3 LYS A 130 18.268 2.684 -0.400 1.00 1.55 H new ATOM 1784 N ALA A 131 18.615 0.519 -5.341 1.00 0.73 N ATOM 1785 CA ALA A 131 18.695 -0.631 -4.396 1.00 0.75 C ATOM 1786 C ALA A 131 20.116 -1.213 -4.401 1.00 0.81 C ATOM 1787 O ALA A 131 20.299 -2.414 -4.375 1.00 0.94 O ATOM 1788 CB ALA A 131 17.695 -1.717 -4.811 1.00 0.81 C ATOM 0 H ALA A 131 18.284 0.292 -6.279 1.00 0.73 H new ATOM 0 HA ALA A 131 18.452 -0.282 -3.392 1.00 0.75 H new ATOM 0 HB1 ALA A 131 17.758 -2.555 -4.116 1.00 0.81 H new ATOM 0 HB2 ALA A 131 16.685 -1.307 -4.794 1.00 0.81 H new ATOM 0 HB3 ALA A 131 17.930 -2.062 -5.818 1.00 0.81 H new ATOM 1794 N LYS A 132 21.127 -0.380 -4.421 1.00 0.72 N ATOM 1795 CA LYS A 132 22.519 -0.907 -4.412 1.00 0.77 C ATOM 1796 C LYS A 132 22.701 -1.766 -3.163 1.00 0.51 C ATOM 1797 O LYS A 132 22.045 -1.559 -2.161 1.00 0.47 O ATOM 1798 CB LYS A 132 23.511 0.258 -4.389 1.00 1.01 C ATOM 1799 CG LYS A 132 23.327 1.109 -5.647 1.00 3.23 C ATOM 1800 CD LYS A 132 23.770 0.310 -6.875 1.00 5.16 C ATOM 1801 CE LYS A 132 22.538 -0.208 -7.620 1.00 7.17 C ATOM 1802 NZ LYS A 132 22.846 -0.320 -9.074 1.00 9.26 N ATOM 0 H LYS A 132 21.046 0.637 -4.443 1.00 0.72 H new ATOM 0 HA LYS A 132 22.700 -1.504 -5.306 1.00 0.77 H new ATOM 0 HB2 LYS A 132 23.353 0.867 -3.499 1.00 1.01 H new ATOM 0 HB3 LYS A 132 24.532 -0.121 -4.339 1.00 1.01 H new ATOM 0 HG2 LYS A 132 22.283 1.404 -5.750 1.00 3.23 H new ATOM 0 HG3 LYS A 132 23.911 2.026 -5.567 1.00 3.23 H new ATOM 0 HD2 LYS A 132 24.369 0.939 -7.534 1.00 5.16 H new ATOM 0 HD3 LYS A 132 24.401 -0.525 -6.570 1.00 5.16 H new ATOM 0 HE2 LYS A 132 22.243 -1.180 -7.224 1.00 7.17 H new ATOM 0 HE3 LYS A 132 21.697 0.468 -7.467 1.00 7.17 H new ATOM 0 HZ1 LYS A 132 22.008 -0.672 -9.580 1.00 9.26 H new ATOM 0 HZ2 LYS A 132 23.108 0.615 -9.446 1.00 9.26 H new ATOM 0 HZ3 LYS A 132 23.637 -0.981 -9.211 1.00 9.26 H new ATOM 1816 N ASN A 133 23.565 -2.742 -3.209 1.00 0.42 N ATOM 1817 CA ASN A 133 23.750 -3.615 -2.017 1.00 0.29 C ATOM 1818 C ASN A 133 22.394 -4.209 -1.643 1.00 0.23 C ATOM 1819 O ASN A 133 22.077 -4.419 -0.489 1.00 0.23 O ATOM 1820 CB ASN A 133 24.299 -2.787 -0.852 1.00 0.30 C ATOM 1821 CG ASN A 133 24.915 -3.714 0.198 1.00 0.76 C ATOM 1822 OD1 ASN A 133 24.431 -4.805 0.423 1.00 1.68 O ATOM 1823 ND2 ASN A 133 25.972 -3.320 0.854 1.00 1.11 N ATOM 0 H ASN A 133 24.147 -2.972 -4.015 1.00 0.42 H new ATOM 0 HA ASN A 133 24.458 -4.414 -2.239 1.00 0.29 H new ATOM 0 HB2 ASN A 133 25.049 -2.084 -1.215 1.00 0.30 H new ATOM 0 HB3 ASN A 133 23.499 -2.197 -0.405 1.00 0.30 H new ATOM 0 HD21 ASN A 133 26.392 -3.928 1.556 1.00 1.11 H new ATOM 0 HD22 ASN A 133 26.378 -2.404 0.664 1.00 1.11 H new ATOM 1830 N LEU A 134 21.596 -4.470 -2.635 1.00 0.27 N ATOM 1831 CA LEU A 134 20.244 -5.045 -2.402 1.00 0.21 C ATOM 1832 C LEU A 134 19.959 -6.097 -3.467 1.00 0.68 C ATOM 1833 O LEU A 134 20.861 -6.674 -4.042 1.00 1.16 O ATOM 1834 CB LEU A 134 19.192 -3.937 -2.477 1.00 0.54 C ATOM 1835 CG LEU A 134 18.155 -4.145 -1.371 1.00 0.80 C ATOM 1836 CD1 LEU A 134 18.462 -3.214 -0.197 1.00 0.93 C ATOM 1837 CD2 LEU A 134 16.759 -3.835 -1.916 1.00 1.52 C ATOM 0 H LEU A 134 21.826 -4.307 -3.615 1.00 0.27 H new ATOM 0 HA LEU A 134 20.207 -5.504 -1.414 1.00 0.21 H new ATOM 0 HB2 LEU A 134 19.666 -2.962 -2.367 1.00 0.54 H new ATOM 0 HB3 LEU A 134 18.706 -3.947 -3.453 1.00 0.54 H new ATOM 0 HG LEU A 134 18.192 -5.180 -1.031 1.00 0.80 H new ATOM 0 HD11 LEU A 134 17.722 -3.364 0.589 1.00 0.93 H new ATOM 0 HD12 LEU A 134 19.456 -3.435 0.193 1.00 0.93 H new ATOM 0 HD13 LEU A 134 18.427 -2.178 -0.535 1.00 0.93 H new ATOM 0 HD21 LEU A 134 16.020 -3.983 -1.129 1.00 1.52 H new ATOM 0 HD22 LEU A 134 16.723 -2.801 -2.258 1.00 1.52 H new ATOM 0 HD23 LEU A 134 16.538 -4.500 -2.751 1.00 1.52 H new ATOM 1849 N ASP A 135 18.715 -6.366 -3.725 1.00 0.65 N ATOM 1850 CA ASP A 135 18.386 -7.403 -4.746 1.00 1.15 C ATOM 1851 C ASP A 135 17.436 -6.865 -5.807 1.00 0.72 C ATOM 1852 O ASP A 135 17.304 -7.444 -6.866 1.00 1.52 O ATOM 1853 CB ASP A 135 17.747 -8.611 -4.060 1.00 1.80 C ATOM 1854 CG ASP A 135 18.292 -9.897 -4.683 1.00 2.46 C ATOM 1855 OD1 ASP A 135 18.059 -10.106 -5.862 1.00 2.70 O ATOM 1856 OD2 ASP A 135 18.934 -10.652 -3.970 1.00 2.95 O ATOM 0 H ASP A 135 17.914 -5.919 -3.279 1.00 0.65 H new ATOM 0 HA ASP A 135 19.314 -7.695 -5.238 1.00 1.15 H new ATOM 0 HB2 ASP A 135 17.962 -8.592 -2.992 1.00 1.80 H new ATOM 0 HB3 ASP A 135 16.663 -8.573 -4.168 1.00 1.80 H new ATOM 1861 N ALA A 136 16.750 -5.795 -5.511 1.00 1.01 N ATOM 1862 CA ALA A 136 15.757 -5.199 -6.461 1.00 1.62 C ATOM 1863 C ALA A 136 14.396 -5.827 -6.198 1.00 1.46 C ATOM 1864 O ALA A 136 13.364 -5.226 -6.418 1.00 2.04 O ATOM 1865 CB ALA A 136 16.162 -5.400 -7.930 1.00 1.98 C ATOM 0 H ALA A 136 16.837 -5.293 -4.627 1.00 1.01 H new ATOM 0 HA ALA A 136 15.720 -4.123 -6.291 1.00 1.62 H new ATOM 0 HB1 ALA A 136 15.411 -4.951 -8.579 1.00 1.98 H new ATOM 0 HB2 ALA A 136 17.127 -4.926 -8.109 1.00 1.98 H new ATOM 0 HB3 ALA A 136 16.236 -6.466 -8.144 1.00 1.98 H new ATOM 1871 N ILE A 137 14.400 -7.016 -5.673 1.00 0.85 N ATOM 1872 CA ILE A 137 13.151 -7.707 -5.309 1.00 0.66 C ATOM 1873 C ILE A 137 12.260 -8.002 -6.521 1.00 1.14 C ATOM 1874 O ILE A 137 11.212 -8.597 -6.370 1.00 0.77 O ATOM 1875 CB ILE A 137 12.441 -6.846 -4.257 1.00 0.31 C ATOM 1876 CG1 ILE A 137 13.163 -7.031 -2.914 1.00 0.48 C ATOM 1877 CG2 ILE A 137 10.971 -7.256 -4.108 1.00 0.29 C ATOM 1878 CD1 ILE A 137 14.631 -6.585 -3.029 1.00 0.64 C ATOM 0 H ILE A 137 15.248 -7.549 -5.478 1.00 0.85 H new ATOM 0 HA ILE A 137 13.381 -8.689 -4.897 1.00 0.66 H new ATOM 0 HB ILE A 137 12.469 -5.803 -4.571 1.00 0.31 H new ATOM 0 HG12 ILE A 137 12.660 -6.451 -2.140 1.00 0.48 H new ATOM 0 HG13 ILE A 137 13.117 -8.077 -2.610 1.00 0.48 H new ATOM 0 HG21 ILE A 137 10.493 -6.629 -3.356 1.00 0.29 H new ATOM 0 HG22 ILE A 137 10.460 -7.131 -5.063 1.00 0.29 H new ATOM 0 HG23 ILE A 137 10.914 -8.300 -3.800 1.00 0.29 H new ATOM 0 HD11 ILE A 137 15.129 -6.722 -2.069 1.00 0.64 H new ATOM 0 HD12 ILE A 137 15.135 -7.183 -3.788 1.00 0.64 H new ATOM 0 HD13 ILE A 137 14.671 -5.533 -3.311 1.00 0.64 H new ATOM 1890 N THR A 138 12.661 -7.639 -7.714 1.00 1.96 N ATOM 1891 CA THR A 138 11.822 -7.937 -8.912 1.00 2.44 C ATOM 1892 C THR A 138 10.342 -7.667 -8.602 1.00 1.93 C ATOM 1893 O THR A 138 10.015 -6.833 -7.782 1.00 1.57 O ATOM 1894 CB THR A 138 12.014 -9.406 -9.298 1.00 2.99 C ATOM 1895 OG1 THR A 138 13.232 -9.886 -8.746 1.00 3.27 O ATOM 1896 CG2 THR A 138 12.057 -9.536 -10.820 1.00 3.72 C ATOM 0 H THR A 138 13.534 -7.149 -7.909 1.00 1.96 H new ATOM 0 HA THR A 138 12.125 -7.295 -9.739 1.00 2.44 H new ATOM 0 HB THR A 138 11.182 -9.993 -8.909 1.00 2.99 H new ATOM 0 HG1 THR A 138 13.354 -10.827 -8.992 1.00 3.27 H new ATOM 0 HG21 THR A 138 12.194 -10.583 -11.092 1.00 3.72 H new ATOM 0 HG22 THR A 138 11.121 -9.170 -11.243 1.00 3.72 H new ATOM 0 HG23 THR A 138 12.887 -8.948 -11.212 1.00 3.72 H new ATOM 1904 N THR A 139 9.451 -8.380 -9.225 1.00 1.90 N ATOM 1905 CA THR A 139 8.008 -8.181 -8.938 1.00 1.41 C ATOM 1906 C THR A 139 7.319 -9.554 -8.921 1.00 1.15 C ATOM 1907 O THR A 139 6.846 -10.018 -9.939 1.00 1.24 O ATOM 1908 CB THR A 139 7.397 -7.286 -10.012 1.00 1.33 C ATOM 1909 OG1 THR A 139 6.010 -7.117 -9.755 1.00 1.03 O ATOM 1910 CG2 THR A 139 7.593 -7.920 -11.389 1.00 1.29 C ATOM 0 H THR A 139 9.661 -9.094 -9.923 1.00 1.90 H new ATOM 0 HA THR A 139 7.874 -7.699 -7.970 1.00 1.41 H new ATOM 0 HB THR A 139 7.890 -6.314 -9.994 1.00 1.33 H new ATOM 0 HG1 THR A 139 5.617 -6.541 -10.444 1.00 1.03 H new ATOM 0 HG21 THR A 139 7.155 -7.276 -12.152 1.00 1.29 H new ATOM 0 HG22 THR A 139 8.658 -8.042 -11.585 1.00 1.29 H new ATOM 0 HG23 THR A 139 7.106 -8.895 -11.413 1.00 1.29 H new ATOM 1958 N THR A 143 1.421 -11.814 -12.695 1.00 1.46 N ATOM 1959 CA THR A 143 0.252 -12.392 -13.410 1.00 1.17 C ATOM 1960 C THR A 143 -0.750 -12.903 -12.380 1.00 0.87 C ATOM 1961 O THR A 143 -1.946 -12.787 -12.554 1.00 0.84 O ATOM 1962 CB THR A 143 0.722 -13.543 -14.300 1.00 1.00 C ATOM 1963 OG1 THR A 143 1.156 -14.626 -13.488 1.00 1.22 O ATOM 1964 CG2 THR A 143 1.882 -13.062 -15.170 1.00 1.43 C ATOM 0 HA THR A 143 -0.222 -11.633 -14.033 1.00 1.17 H new ATOM 0 HB THR A 143 -0.100 -13.875 -14.934 1.00 1.00 H new ATOM 0 HG1 THR A 143 1.456 -15.364 -14.059 1.00 1.22 H new ATOM 0 HG21 THR A 143 2.222 -13.878 -15.807 1.00 1.43 H new ATOM 0 HG22 THR A 143 1.550 -12.230 -15.792 1.00 1.43 H new ATOM 0 HG23 THR A 143 2.703 -12.733 -14.533 1.00 1.43 H new ATOM 1972 N THR A 144 -0.273 -13.449 -11.294 1.00 0.81 N ATOM 1973 CA THR A 144 -1.212 -13.931 -10.250 1.00 0.62 C ATOM 1974 C THR A 144 -1.919 -12.711 -9.662 1.00 0.56 C ATOM 1975 O THR A 144 -3.033 -12.792 -9.189 1.00 0.48 O ATOM 1976 CB THR A 144 -0.439 -14.667 -9.154 1.00 0.89 C ATOM 1977 OG1 THR A 144 0.410 -15.639 -9.745 1.00 1.06 O ATOM 1978 CG2 THR A 144 -1.424 -15.355 -8.206 1.00 0.96 C ATOM 0 H THR A 144 0.717 -13.580 -11.089 1.00 0.81 H new ATOM 0 HA THR A 144 -1.938 -14.622 -10.678 1.00 0.62 H new ATOM 0 HB THR A 144 0.163 -13.953 -8.593 1.00 0.89 H new ATOM 0 HG1 THR A 144 0.907 -16.110 -9.043 1.00 1.06 H new ATOM 0 HG21 THR A 144 -0.872 -15.879 -7.426 1.00 0.96 H new ATOM 0 HG22 THR A 144 -2.074 -14.607 -7.751 1.00 0.96 H new ATOM 0 HG23 THR A 144 -2.028 -16.069 -8.765 1.00 0.96 H new ATOM 1986 N ASN A 145 -1.278 -11.568 -9.713 1.00 0.62 N ATOM 1987 CA ASN A 145 -1.912 -10.331 -9.186 1.00 0.58 C ATOM 1988 C ASN A 145 -3.068 -9.955 -10.107 1.00 0.51 C ATOM 1989 O ASN A 145 -4.027 -9.343 -9.696 1.00 0.43 O ATOM 1990 CB ASN A 145 -0.892 -9.193 -9.162 1.00 0.73 C ATOM 1991 CG ASN A 145 -0.547 -8.852 -7.712 1.00 0.86 C ATOM 1992 OD1 ASN A 145 0.607 -8.690 -7.371 1.00 1.03 O ATOM 1993 ND2 ASN A 145 -1.509 -8.738 -6.837 1.00 0.80 N ATOM 0 H ASN A 145 -0.342 -11.444 -10.099 1.00 0.62 H new ATOM 0 HA ASN A 145 -2.273 -10.502 -8.172 1.00 0.58 H new ATOM 0 HB2 ASN A 145 0.008 -9.485 -9.703 1.00 0.73 H new ATOM 0 HB3 ASN A 145 -1.297 -8.316 -9.667 1.00 0.73 H new ATOM 0 HD21 ASN A 145 -1.291 -8.513 -5.866 1.00 0.80 H new ATOM 0 HD22 ASN A 145 -2.478 -8.874 -7.124 1.00 0.80 H new ATOM 2000 N ALA A 146 -2.983 -10.335 -11.354 1.00 0.62 N ATOM 2001 CA ALA A 146 -4.082 -10.023 -12.307 1.00 0.72 C ATOM 2002 C ALA A 146 -5.344 -10.723 -11.820 1.00 0.70 C ATOM 2003 O ALA A 146 -6.437 -10.203 -11.921 1.00 0.89 O ATOM 2004 CB ALA A 146 -3.706 -10.535 -13.700 1.00 0.80 C ATOM 0 H ALA A 146 -2.197 -10.849 -11.752 1.00 0.62 H new ATOM 0 HA ALA A 146 -4.249 -8.947 -12.361 1.00 0.72 H new ATOM 0 HB1 ALA A 146 -4.510 -10.308 -14.400 1.00 0.80 H new ATOM 0 HB2 ALA A 146 -2.788 -10.049 -14.031 1.00 0.80 H new ATOM 0 HB3 ALA A 146 -3.552 -11.613 -13.662 1.00 0.80 H new ATOM 2010 N SER A 147 -5.194 -11.893 -11.270 1.00 0.53 N ATOM 2011 CA SER A 147 -6.377 -12.622 -10.751 1.00 0.66 C ATOM 2012 C SER A 147 -6.717 -12.059 -9.373 1.00 0.59 C ATOM 2013 O SER A 147 -7.858 -12.041 -8.959 1.00 0.64 O ATOM 2014 CB SER A 147 -6.056 -14.112 -10.638 1.00 0.66 C ATOM 2015 OG SER A 147 -7.257 -14.835 -10.399 1.00 0.99 O ATOM 0 H SER A 147 -4.302 -12.375 -11.158 1.00 0.53 H new ATOM 0 HA SER A 147 -7.223 -12.498 -11.427 1.00 0.66 H new ATOM 0 HB2 SER A 147 -5.582 -14.464 -11.554 1.00 0.66 H new ATOM 0 HB3 SER A 147 -5.348 -14.283 -9.827 1.00 0.66 H new ATOM 0 HG SER A 147 -7.055 -15.791 -10.328 1.00 0.99 H new ATOM 2021 N LEU A 148 -5.737 -11.575 -8.661 1.00 0.49 N ATOM 2022 CA LEU A 148 -6.029 -10.989 -7.330 1.00 0.44 C ATOM 2023 C LEU A 148 -6.856 -9.722 -7.554 1.00 0.58 C ATOM 2024 O LEU A 148 -7.618 -9.310 -6.711 1.00 0.91 O ATOM 2025 CB LEU A 148 -4.717 -10.661 -6.594 1.00 0.27 C ATOM 2026 CG LEU A 148 -4.957 -9.612 -5.494 1.00 0.34 C ATOM 2027 CD1 LEU A 148 -6.078 -10.066 -4.555 1.00 0.31 C ATOM 2028 CD2 LEU A 148 -3.682 -9.423 -4.683 1.00 0.34 C ATOM 0 H LEU A 148 -4.757 -11.561 -8.943 1.00 0.49 H new ATOM 0 HA LEU A 148 -6.584 -11.695 -6.712 1.00 0.44 H new ATOM 0 HB2 LEU A 148 -4.305 -11.569 -6.154 1.00 0.27 H new ATOM 0 HB3 LEU A 148 -3.979 -10.288 -7.304 1.00 0.27 H new ATOM 0 HG LEU A 148 -5.244 -8.673 -5.968 1.00 0.34 H new ATOM 0 HD11 LEU A 148 -6.234 -9.312 -3.783 1.00 0.31 H new ATOM 0 HD12 LEU A 148 -6.998 -10.198 -5.124 1.00 0.31 H new ATOM 0 HD13 LEU A 148 -5.801 -11.011 -4.088 1.00 0.31 H new ATOM 0 HD21 LEU A 148 -3.853 -8.680 -3.904 1.00 0.34 H new ATOM 0 HD22 LEU A 148 -3.399 -10.370 -4.225 1.00 0.34 H new ATOM 0 HD23 LEU A 148 -2.881 -9.083 -5.339 1.00 0.34 H new ATOM 2040 N LEU A 149 -6.724 -9.115 -8.699 1.00 0.40 N ATOM 2041 CA LEU A 149 -7.518 -7.899 -8.988 1.00 0.45 C ATOM 2042 C LEU A 149 -8.886 -8.368 -9.469 1.00 0.49 C ATOM 2043 O LEU A 149 -9.907 -7.785 -9.160 1.00 0.52 O ATOM 2044 CB LEU A 149 -6.809 -7.078 -10.078 1.00 0.46 C ATOM 2045 CG LEU A 149 -7.754 -6.021 -10.664 1.00 0.46 C ATOM 2046 CD1 LEU A 149 -8.342 -5.171 -9.537 1.00 0.70 C ATOM 2047 CD2 LEU A 149 -6.974 -5.125 -11.627 1.00 0.44 C ATOM 0 H LEU A 149 -6.098 -9.413 -9.447 1.00 0.40 H new ATOM 0 HA LEU A 149 -7.624 -7.267 -8.107 1.00 0.45 H new ATOM 0 HB2 LEU A 149 -5.928 -6.592 -9.659 1.00 0.46 H new ATOM 0 HB3 LEU A 149 -6.461 -7.741 -10.870 1.00 0.46 H new ATOM 0 HG LEU A 149 -8.565 -6.516 -11.199 1.00 0.46 H new ATOM 0 HD11 LEU A 149 -9.012 -4.422 -9.958 1.00 0.70 H new ATOM 0 HD12 LEU A 149 -8.898 -5.810 -8.851 1.00 0.70 H new ATOM 0 HD13 LEU A 149 -7.536 -4.674 -8.997 1.00 0.70 H new ATOM 0 HD21 LEU A 149 -7.642 -4.372 -12.046 1.00 0.44 H new ATOM 0 HD22 LEU A 149 -6.164 -4.632 -11.090 1.00 0.44 H new ATOM 0 HD23 LEU A 149 -6.560 -5.731 -12.433 1.00 0.44 H new ATOM 2059 N THR A 150 -8.905 -9.444 -10.205 1.00 0.50 N ATOM 2060 CA THR A 150 -10.193 -9.992 -10.690 1.00 0.51 C ATOM 2061 C THR A 150 -10.875 -10.746 -9.529 1.00 0.35 C ATOM 2062 O THR A 150 -11.984 -11.225 -9.656 1.00 0.30 O ATOM 2063 CB THR A 150 -9.917 -10.913 -11.905 1.00 0.74 C ATOM 2064 OG1 THR A 150 -11.025 -10.863 -12.792 1.00 0.80 O ATOM 2065 CG2 THR A 150 -9.680 -12.366 -11.479 1.00 0.65 C ATOM 0 H THR A 150 -8.077 -9.967 -10.491 1.00 0.50 H new ATOM 0 HA THR A 150 -10.866 -9.200 -11.018 1.00 0.51 H new ATOM 0 HB THR A 150 -9.013 -10.555 -12.397 1.00 0.74 H new ATOM 0 HG1 THR A 150 -10.853 -11.443 -13.563 1.00 0.80 H new ATOM 0 HG21 THR A 150 -9.490 -12.977 -12.361 1.00 0.65 H new ATOM 0 HG22 THR A 150 -8.819 -12.414 -10.812 1.00 0.65 H new ATOM 0 HG23 THR A 150 -10.562 -12.741 -10.960 1.00 0.65 H new ATOM 2073 N LYS A 151 -10.212 -10.850 -8.398 1.00 0.48 N ATOM 2074 CA LYS A 151 -10.809 -11.563 -7.235 1.00 0.35 C ATOM 2075 C LYS A 151 -11.342 -10.543 -6.221 1.00 0.22 C ATOM 2076 O LYS A 151 -12.420 -10.706 -5.685 1.00 0.17 O ATOM 2077 CB LYS A 151 -9.741 -12.433 -6.570 1.00 0.43 C ATOM 2078 CG LYS A 151 -10.359 -13.189 -5.392 1.00 0.41 C ATOM 2079 CD LYS A 151 -9.657 -12.783 -4.094 1.00 0.58 C ATOM 2080 CE LYS A 151 -8.876 -13.978 -3.541 1.00 1.55 C ATOM 2081 NZ LYS A 151 -9.806 -14.895 -2.822 1.00 1.75 N ATOM 0 H LYS A 151 -9.280 -10.468 -8.237 1.00 0.48 H new ATOM 0 HA LYS A 151 -11.630 -12.191 -7.579 1.00 0.35 H new ATOM 0 HB2 LYS A 151 -9.329 -13.138 -7.292 1.00 0.43 H new ATOM 0 HB3 LYS A 151 -8.915 -11.812 -6.224 1.00 0.43 H new ATOM 0 HG2 LYS A 151 -11.424 -12.969 -5.325 1.00 0.41 H new ATOM 0 HG3 LYS A 151 -10.265 -14.264 -5.547 1.00 0.41 H new ATOM 0 HD2 LYS A 151 -8.982 -11.948 -4.279 1.00 0.58 H new ATOM 0 HD3 LYS A 151 -10.390 -12.444 -3.362 1.00 0.58 H new ATOM 0 HE2 LYS A 151 -8.382 -14.510 -4.354 1.00 1.55 H new ATOM 0 HE3 LYS A 151 -8.094 -13.633 -2.864 1.00 1.55 H new ATOM 0 HZ1 LYS A 151 -9.273 -15.706 -2.447 1.00 1.75 H new ATOM 0 HZ2 LYS A 151 -10.258 -14.385 -2.036 1.00 1.75 H new ATOM 0 HZ3 LYS A 151 -10.536 -15.235 -3.480 1.00 1.75 H new ATOM 2095 N LEU A 152 -10.614 -9.483 -5.959 1.00 0.31 N ATOM 2096 CA LEU A 152 -11.122 -8.473 -4.990 1.00 0.44 C ATOM 2097 C LEU A 152 -12.392 -7.876 -5.577 1.00 0.53 C ATOM 2098 O LEU A 152 -13.308 -7.504 -4.869 1.00 0.64 O ATOM 2099 CB LEU A 152 -10.097 -7.350 -4.779 1.00 0.54 C ATOM 2100 CG LEU A 152 -8.711 -7.929 -4.496 1.00 0.75 C ATOM 2101 CD1 LEU A 152 -7.651 -7.052 -5.167 1.00 0.52 C ATOM 2102 CD2 LEU A 152 -8.456 -7.948 -2.990 1.00 1.03 C ATOM 0 H LEU A 152 -9.703 -9.279 -6.370 1.00 0.31 H new ATOM 0 HA LEU A 152 -11.308 -8.950 -4.028 1.00 0.44 H new ATOM 0 HB2 LEU A 152 -10.058 -6.716 -5.665 1.00 0.54 H new ATOM 0 HB3 LEU A 152 -10.409 -6.718 -3.948 1.00 0.54 H new ATOM 0 HG LEU A 152 -8.660 -8.945 -4.888 1.00 0.75 H new ATOM 0 HD11 LEU A 152 -6.661 -7.461 -4.968 1.00 0.52 H new ATOM 0 HD12 LEU A 152 -7.825 -7.030 -6.243 1.00 0.52 H new ATOM 0 HD13 LEU A 152 -7.712 -6.039 -4.769 1.00 0.52 H new ATOM 0 HD21 LEU A 152 -7.467 -8.362 -2.794 1.00 1.03 H new ATOM 0 HD22 LEU A 152 -8.509 -6.932 -2.599 1.00 1.03 H new ATOM 0 HD23 LEU A 152 -9.210 -8.564 -2.501 1.00 1.03 H new ATOM 2114 N GLN A 153 -12.449 -7.780 -6.876 1.00 0.50 N ATOM 2115 CA GLN A 153 -13.652 -7.206 -7.522 1.00 0.62 C ATOM 2116 C GLN A 153 -14.746 -8.274 -7.619 1.00 0.64 C ATOM 2117 O GLN A 153 -15.918 -7.989 -7.475 1.00 1.02 O ATOM 2118 CB GLN A 153 -13.298 -6.712 -8.927 1.00 0.64 C ATOM 2119 CG GLN A 153 -12.696 -5.309 -8.841 1.00 0.69 C ATOM 2120 CD GLN A 153 -13.185 -4.473 -10.027 1.00 0.64 C ATOM 2121 OE1 GLN A 153 -12.728 -4.650 -11.139 1.00 1.18 O ATOM 2122 NE2 GLN A 153 -14.104 -3.567 -9.837 1.00 1.87 N ATOM 0 H GLN A 153 -11.711 -8.076 -7.515 1.00 0.50 H new ATOM 0 HA GLN A 153 -14.013 -6.370 -6.924 1.00 0.62 H new ATOM 0 HB2 GLN A 153 -12.589 -7.395 -9.396 1.00 0.64 H new ATOM 0 HB3 GLN A 153 -14.190 -6.698 -9.554 1.00 0.64 H new ATOM 0 HG2 GLN A 153 -12.985 -4.834 -7.903 1.00 0.69 H new ATOM 0 HG3 GLN A 153 -11.608 -5.367 -8.847 1.00 0.69 H new ATOM 0 HE21 GLN A 153 -14.488 -3.418 -8.904 1.00 1.87 H new ATOM 0 HE22 GLN A 153 -14.439 -3.008 -10.622 1.00 1.87 H new ATOM 2131 N ALA A 154 -14.373 -9.501 -7.869 1.00 0.25 N ATOM 2132 CA ALA A 154 -15.394 -10.583 -7.984 1.00 0.25 C ATOM 2133 C ALA A 154 -16.077 -10.802 -6.631 1.00 0.25 C ATOM 2134 O ALA A 154 -17.170 -11.325 -6.556 1.00 0.61 O ATOM 2135 CB ALA A 154 -14.715 -11.881 -8.426 1.00 0.19 C ATOM 0 H ALA A 154 -13.407 -9.801 -7.998 1.00 0.25 H new ATOM 0 HA ALA A 154 -16.142 -10.291 -8.721 1.00 0.25 H new ATOM 0 HB1 ALA A 154 -15.461 -12.671 -8.510 1.00 0.19 H new ATOM 0 HB2 ALA A 154 -14.236 -11.730 -9.393 1.00 0.19 H new ATOM 0 HB3 ALA A 154 -13.964 -12.168 -7.690 1.00 0.19 H new ATOM 2141 N GLN A 155 -15.442 -10.408 -5.561 1.00 0.83 N ATOM 2142 CA GLN A 155 -16.058 -10.598 -4.216 1.00 0.96 C ATOM 2143 C GLN A 155 -17.463 -9.988 -4.200 1.00 1.01 C ATOM 2144 O GLN A 155 -17.808 -9.177 -5.035 1.00 0.94 O ATOM 2145 CB GLN A 155 -15.192 -9.910 -3.162 1.00 0.97 C ATOM 2146 CG GLN A 155 -13.830 -10.605 -3.087 1.00 1.06 C ATOM 2147 CD GLN A 155 -13.719 -11.373 -1.768 1.00 1.12 C ATOM 2148 OE1 GLN A 155 -14.706 -11.589 -1.093 1.00 1.37 O ATOM 2149 NE2 GLN A 155 -12.551 -11.800 -1.371 1.00 1.46 N ATOM 0 H GLN A 155 -14.524 -9.963 -5.559 1.00 0.83 H new ATOM 0 HA GLN A 155 -16.126 -11.663 -3.996 1.00 0.96 H new ATOM 0 HB2 GLN A 155 -15.062 -8.857 -3.414 1.00 0.97 H new ATOM 0 HB3 GLN A 155 -15.685 -9.947 -2.191 1.00 0.97 H new ATOM 0 HG2 GLN A 155 -13.712 -11.288 -3.928 1.00 1.06 H new ATOM 0 HG3 GLN A 155 -13.030 -9.868 -3.159 1.00 1.06 H new ATOM 0 HE21 GLN A 155 -11.722 -11.619 -1.937 1.00 1.46 H new ATOM 0 HE22 GLN A 155 -12.467 -12.315 -0.494 1.00 1.46 H new ATOM 2158 N ASN A 156 -18.277 -10.374 -3.255 1.00 1.14 N ATOM 2159 CA ASN A 156 -19.659 -9.819 -3.187 1.00 1.21 C ATOM 2160 C ASN A 156 -19.594 -8.297 -3.049 1.00 1.10 C ATOM 2161 O ASN A 156 -18.556 -7.733 -2.769 1.00 1.14 O ATOM 2162 CB ASN A 156 -20.388 -10.409 -1.978 1.00 1.36 C ATOM 2163 CG ASN A 156 -20.875 -11.820 -2.314 1.00 1.45 C ATOM 2164 OD1 ASN A 156 -21.880 -11.988 -2.976 1.00 1.41 O ATOM 2165 ND2 ASN A 156 -20.199 -12.850 -1.883 1.00 1.90 N ATOM 0 H ASN A 156 -18.045 -11.050 -2.527 1.00 1.14 H new ATOM 0 HA ASN A 156 -20.197 -10.078 -4.099 1.00 1.21 H new ATOM 0 HB2 ASN A 156 -19.721 -10.439 -1.117 1.00 1.36 H new ATOM 0 HB3 ASN A 156 -21.233 -9.777 -1.705 1.00 1.36 H new ATOM 0 HD21 ASN A 156 -20.514 -13.795 -2.102 1.00 1.90 H new ATOM 0 HD22 ASN A 156 -19.355 -12.710 -1.327 1.00 1.90 H new ATOM 2172 N GLN A 157 -20.696 -7.627 -3.244 1.00 1.03 N ATOM 2173 CA GLN A 157 -20.700 -6.143 -3.123 1.00 0.95 C ATOM 2174 C GLN A 157 -20.248 -5.746 -1.715 1.00 0.83 C ATOM 2175 O GLN A 157 -19.651 -4.708 -1.512 1.00 0.71 O ATOM 2176 CB GLN A 157 -22.116 -5.620 -3.364 1.00 1.05 C ATOM 2177 CG GLN A 157 -22.120 -4.091 -3.280 1.00 0.81 C ATOM 2178 CD GLN A 157 -21.847 -3.501 -4.666 1.00 1.05 C ATOM 2179 OE1 GLN A 157 -22.762 -3.255 -5.426 1.00 0.50 O ATOM 2180 NE2 GLN A 157 -20.616 -3.261 -5.027 1.00 2.34 N ATOM 0 H GLN A 157 -21.596 -8.045 -3.482 1.00 1.03 H new ATOM 0 HA GLN A 157 -20.020 -5.715 -3.860 1.00 0.95 H new ATOM 0 HB2 GLN A 157 -22.472 -5.941 -4.343 1.00 1.05 H new ATOM 0 HB3 GLN A 157 -22.799 -6.037 -2.624 1.00 1.05 H new ATOM 0 HG2 GLN A 157 -23.082 -3.740 -2.907 1.00 0.81 H new ATOM 0 HG3 GLN A 157 -21.361 -3.753 -2.574 1.00 0.81 H new ATOM 0 HE21 GLN A 157 -19.848 -3.468 -4.389 1.00 2.34 H new ATOM 0 HE22 GLN A 157 -20.422 -2.867 -5.948 1.00 2.34 H new ATOM 2189 N TRP A 158 -20.531 -6.568 -0.743 1.00 0.89 N ATOM 2190 CA TRP A 158 -20.123 -6.242 0.652 1.00 0.79 C ATOM 2191 C TRP A 158 -18.595 -6.198 0.739 1.00 0.63 C ATOM 2192 O TRP A 158 -18.010 -5.175 1.038 1.00 0.46 O ATOM 2193 CB TRP A 158 -20.660 -7.318 1.602 1.00 0.95 C ATOM 2194 CG TRP A 158 -20.243 -7.003 3.005 1.00 0.94 C ATOM 2195 CD1 TRP A 158 -19.117 -7.459 3.599 1.00 1.09 C ATOM 2196 CD2 TRP A 158 -20.922 -6.175 3.994 1.00 0.85 C ATOM 2197 NE1 TRP A 158 -19.061 -6.965 4.890 1.00 1.03 N ATOM 2198 CE2 TRP A 158 -20.151 -6.169 5.180 1.00 0.92 C ATOM 2199 CE3 TRP A 158 -22.121 -5.438 3.979 1.00 0.86 C ATOM 2200 CZ2 TRP A 158 -20.553 -5.455 6.311 1.00 0.97 C ATOM 2201 CZ3 TRP A 158 -22.528 -4.718 5.115 1.00 1.01 C ATOM 2202 CH2 TRP A 158 -21.745 -4.728 6.278 1.00 1.05 C ATOM 0 H TRP A 158 -21.028 -7.452 -0.855 1.00 0.89 H new ATOM 0 HA TRP A 158 -20.530 -5.271 0.935 1.00 0.79 H new ATOM 0 HB2 TRP A 158 -21.747 -7.365 1.537 1.00 0.95 H new ATOM 0 HB3 TRP A 158 -20.280 -8.297 1.310 1.00 0.95 H new ATOM 0 HD1 TRP A 158 -18.382 -8.104 3.140 1.00 1.09 H new ATOM 0 HE1 TRP A 158 -18.307 -7.164 5.547 1.00 1.03 H new ATOM 0 HE3 TRP A 158 -22.732 -5.426 3.089 1.00 0.86 H new ATOM 0 HZ2 TRP A 158 -19.947 -5.465 7.205 1.00 0.97 H new ATOM 0 HZ3 TRP A 158 -23.449 -4.154 5.092 1.00 1.01 H new ATOM 0 HH2 TRP A 158 -22.064 -4.174 7.148 1.00 1.05 H new ATOM 2213 N LEU A 159 -17.947 -7.298 0.478 1.00 0.72 N ATOM 2214 CA LEU A 159 -16.458 -7.321 0.544 1.00 0.67 C ATOM 2215 C LEU A 159 -15.874 -6.390 -0.526 1.00 0.45 C ATOM 2216 O LEU A 159 -14.706 -6.051 -0.493 1.00 0.36 O ATOM 2217 CB LEU A 159 -15.964 -8.749 0.301 1.00 0.91 C ATOM 2218 CG LEU A 159 -16.381 -9.639 1.472 1.00 0.92 C ATOM 2219 CD1 LEU A 159 -16.370 -11.104 1.033 1.00 1.12 C ATOM 2220 CD2 LEU A 159 -15.401 -9.448 2.630 1.00 1.30 C ATOM 0 H LEU A 159 -18.384 -8.183 0.222 1.00 0.72 H new ATOM 0 HA LEU A 159 -16.135 -6.982 1.528 1.00 0.67 H new ATOM 0 HB2 LEU A 159 -16.380 -9.136 -0.629 1.00 0.91 H new ATOM 0 HB3 LEU A 159 -14.879 -8.757 0.193 1.00 0.91 H new ATOM 0 HG LEU A 159 -17.386 -9.365 1.795 1.00 0.92 H new ATOM 0 HD11 LEU A 159 -16.668 -11.737 1.869 1.00 1.12 H new ATOM 0 HD12 LEU A 159 -17.068 -11.242 0.207 1.00 1.12 H new ATOM 0 HD13 LEU A 159 -15.366 -11.379 0.709 1.00 1.12 H new ATOM 0 HD21 LEU A 159 -15.697 -10.082 3.466 1.00 1.30 H new ATOM 0 HD22 LEU A 159 -14.397 -9.721 2.306 1.00 1.30 H new ATOM 0 HD23 LEU A 159 -15.409 -8.405 2.945 1.00 1.30 H new ATOM 2232 N GLN A 160 -16.671 -5.972 -1.473 1.00 0.43 N ATOM 2233 CA GLN A 160 -16.154 -5.066 -2.536 1.00 0.32 C ATOM 2234 C GLN A 160 -15.913 -3.679 -1.942 1.00 0.24 C ATOM 2235 O GLN A 160 -14.830 -3.136 -2.029 1.00 0.26 O ATOM 2236 CB GLN A 160 -17.184 -4.966 -3.662 1.00 0.51 C ATOM 2237 CG GLN A 160 -16.682 -5.734 -4.885 1.00 0.87 C ATOM 2238 CD GLN A 160 -17.355 -5.186 -6.145 1.00 0.95 C ATOM 2239 OE1 GLN A 160 -17.952 -5.926 -6.901 1.00 2.03 O ATOM 2240 NE2 GLN A 160 -17.285 -3.909 -6.403 1.00 0.33 N ATOM 0 H GLN A 160 -17.657 -6.219 -1.555 1.00 0.43 H new ATOM 0 HA GLN A 160 -15.219 -5.461 -2.933 1.00 0.32 H new ATOM 0 HB2 GLN A 160 -18.140 -5.373 -3.332 1.00 0.51 H new ATOM 0 HB3 GLN A 160 -17.355 -3.921 -3.921 1.00 0.51 H new ATOM 0 HG2 GLN A 160 -15.599 -5.639 -4.968 1.00 0.87 H new ATOM 0 HG3 GLN A 160 -16.901 -6.796 -4.776 1.00 0.87 H new ATOM 0 HE21 GLN A 160 -16.784 -3.287 -5.768 1.00 0.33 H new ATOM 0 HE22 GLN A 160 -17.731 -3.532 -7.239 1.00 0.33 H new ATOM 2249 N ASP A 161 -16.914 -3.105 -1.336 1.00 0.22 N ATOM 2250 CA ASP A 161 -16.740 -1.756 -0.731 1.00 0.26 C ATOM 2251 C ASP A 161 -15.681 -1.835 0.368 1.00 0.31 C ATOM 2252 O ASP A 161 -14.909 -0.918 0.567 1.00 0.36 O ATOM 2253 CB ASP A 161 -18.068 -1.290 -0.129 1.00 0.28 C ATOM 2254 CG ASP A 161 -17.973 0.194 0.231 1.00 0.37 C ATOM 2255 OD1 ASP A 161 -17.131 0.533 1.047 1.00 0.75 O ATOM 2256 OD2 ASP A 161 -18.746 0.967 -0.312 1.00 1.31 O ATOM 0 H ASP A 161 -17.844 -3.511 -1.234 1.00 0.22 H new ATOM 0 HA ASP A 161 -16.424 -1.047 -1.497 1.00 0.26 H new ATOM 0 HB2 ASP A 161 -18.878 -1.451 -0.840 1.00 0.28 H new ATOM 0 HB3 ASP A 161 -18.302 -1.876 0.760 1.00 0.28 H new ATOM 2261 N MET A 162 -15.638 -2.926 1.083 1.00 0.36 N ATOM 2262 CA MET A 162 -14.628 -3.067 2.167 1.00 0.45 C ATOM 2263 C MET A 162 -13.231 -3.164 1.536 1.00 0.40 C ATOM 2264 O MET A 162 -12.251 -2.754 2.118 1.00 0.36 O ATOM 2265 CB MET A 162 -14.978 -4.309 3.031 1.00 0.56 C ATOM 2266 CG MET A 162 -13.954 -5.448 2.868 1.00 0.30 C ATOM 2267 SD MET A 162 -12.486 -5.077 3.860 1.00 0.88 S ATOM 2268 CE MET A 162 -11.259 -5.287 2.548 1.00 0.43 C ATOM 0 H MET A 162 -16.260 -3.726 0.962 1.00 0.36 H new ATOM 0 HA MET A 162 -14.634 -2.199 2.826 1.00 0.45 H new ATOM 0 HB2 MET A 162 -15.027 -4.016 4.080 1.00 0.56 H new ATOM 0 HB3 MET A 162 -15.968 -4.672 2.755 1.00 0.56 H new ATOM 0 HG2 MET A 162 -14.392 -6.395 3.185 1.00 0.30 H new ATOM 0 HG3 MET A 162 -13.680 -5.559 1.819 1.00 0.30 H new ATOM 0 HE1 MET A 162 -10.463 -5.945 2.896 1.00 0.43 H new ATOM 0 HE2 MET A 162 -11.735 -5.726 1.671 1.00 0.43 H new ATOM 0 HE3 MET A 162 -10.838 -4.317 2.284 1.00 0.43 H new ATOM 2278 N THR A 163 -13.138 -3.705 0.351 1.00 0.42 N ATOM 2279 CA THR A 163 -11.807 -3.830 -0.314 1.00 0.39 C ATOM 2280 C THR A 163 -11.091 -2.476 -0.306 1.00 0.38 C ATOM 2281 O THR A 163 -9.940 -2.376 0.070 1.00 0.35 O ATOM 2282 CB THR A 163 -12.000 -4.297 -1.757 1.00 0.41 C ATOM 2283 OG1 THR A 163 -12.679 -5.545 -1.762 1.00 0.39 O ATOM 2284 CG2 THR A 163 -10.636 -4.455 -2.427 1.00 0.42 C ATOM 0 H THR A 163 -13.926 -4.066 -0.186 1.00 0.42 H new ATOM 0 HA THR A 163 -11.203 -4.558 0.228 1.00 0.39 H new ATOM 0 HB THR A 163 -12.589 -3.560 -2.303 1.00 0.41 H new ATOM 0 HG1 THR A 163 -13.609 -5.413 -1.482 1.00 0.39 H new ATOM 0 HG21 THR A 163 -10.772 -4.788 -3.456 1.00 0.42 H new ATOM 0 HG22 THR A 163 -10.115 -3.498 -2.421 1.00 0.42 H new ATOM 0 HG23 THR A 163 -10.046 -5.192 -1.882 1.00 0.42 H new ATOM 2292 N THR A 164 -11.761 -1.436 -0.717 1.00 0.40 N ATOM 2293 CA THR A 164 -11.115 -0.093 -0.730 1.00 0.40 C ATOM 2294 C THR A 164 -10.654 0.265 0.685 1.00 0.34 C ATOM 2295 O THR A 164 -9.647 0.916 0.876 1.00 0.37 O ATOM 2296 CB THR A 164 -12.121 0.953 -1.215 1.00 0.44 C ATOM 2297 OG1 THR A 164 -12.682 0.534 -2.453 1.00 0.82 O ATOM 2298 CG2 THR A 164 -11.413 2.296 -1.402 1.00 1.23 C ATOM 0 H THR A 164 -12.727 -1.457 -1.044 1.00 0.40 H new ATOM 0 HA THR A 164 -10.256 -0.111 -1.400 1.00 0.40 H new ATOM 0 HB THR A 164 -12.915 1.063 -0.476 1.00 0.44 H new ATOM 0 HG1 THR A 164 -13.328 1.203 -2.763 1.00 0.82 H new ATOM 0 HG21 THR A 164 -12.130 3.040 -1.747 1.00 1.23 H new ATOM 0 HG22 THR A 164 -10.986 2.617 -0.452 1.00 1.23 H new ATOM 0 HG23 THR A 164 -10.618 2.189 -2.140 1.00 1.23 H new ATOM 2306 N HIS A 165 -11.390 -0.151 1.676 1.00 0.27 N ATOM 2307 CA HIS A 165 -11.012 0.164 3.083 1.00 0.25 C ATOM 2308 C HIS A 165 -9.687 -0.534 3.437 1.00 0.20 C ATOM 2309 O HIS A 165 -8.683 0.110 3.660 1.00 0.29 O ATOM 2310 CB HIS A 165 -12.143 -0.309 4.017 1.00 0.30 C ATOM 2311 CG HIS A 165 -11.661 -0.415 5.443 1.00 0.39 C ATOM 2312 ND1 HIS A 165 -11.419 -1.639 6.047 1.00 0.47 N ATOM 2313 CD2 HIS A 165 -11.361 0.535 6.387 1.00 0.62 C ATOM 2314 CE1 HIS A 165 -10.993 -1.397 7.298 1.00 0.74 C ATOM 2315 NE2 HIS A 165 -10.940 -0.087 7.559 1.00 0.82 N ATOM 0 H HIS A 165 -12.244 -0.700 1.572 1.00 0.27 H new ATOM 0 HA HIS A 165 -10.872 1.238 3.202 1.00 0.25 H new ATOM 0 HB2 HIS A 165 -12.979 0.389 3.963 1.00 0.30 H new ATOM 0 HB3 HIS A 165 -12.514 -1.278 3.682 1.00 0.30 H new ATOM 0 HD2 HIS A 165 -11.440 1.602 6.243 1.00 0.62 H new ATOM 0 HE1 HIS A 165 -10.726 -2.167 8.007 1.00 0.74 H new ATOM 0 HE2 HIS A 165 -10.653 0.360 8.429 1.00 0.82 H new ATOM 2323 N LEU A 166 -9.689 -1.840 3.513 1.00 0.14 N ATOM 2324 CA LEU A 166 -8.442 -2.585 3.880 1.00 0.15 C ATOM 2325 C LEU A 166 -7.241 -2.056 3.094 1.00 0.15 C ATOM 2326 O LEU A 166 -6.158 -1.946 3.631 1.00 0.14 O ATOM 2327 CB LEU A 166 -8.639 -4.078 3.596 1.00 0.27 C ATOM 2328 CG LEU A 166 -7.541 -4.924 4.266 1.00 0.62 C ATOM 2329 CD1 LEU A 166 -6.204 -4.713 3.556 1.00 2.08 C ATOM 2330 CD2 LEU A 166 -7.401 -4.538 5.743 1.00 1.06 C ATOM 0 H LEU A 166 -10.504 -2.427 3.336 1.00 0.14 H new ATOM 0 HA LEU A 166 -8.244 -2.437 4.942 1.00 0.15 H new ATOM 0 HB2 LEU A 166 -9.617 -4.394 3.959 1.00 0.27 H new ATOM 0 HB3 LEU A 166 -8.628 -4.250 2.520 1.00 0.27 H new ATOM 0 HG LEU A 166 -7.824 -5.974 4.195 1.00 0.62 H new ATOM 0 HD11 LEU A 166 -5.436 -5.317 4.039 1.00 2.08 H new ATOM 0 HD12 LEU A 166 -6.296 -5.011 2.512 1.00 2.08 H new ATOM 0 HD13 LEU A 166 -5.925 -3.661 3.610 1.00 2.08 H new ATOM 0 HD21 LEU A 166 -6.621 -5.144 6.205 1.00 1.06 H new ATOM 0 HD22 LEU A 166 -7.135 -3.484 5.820 1.00 1.06 H new ATOM 0 HD23 LEU A 166 -8.347 -4.712 6.256 1.00 1.06 H new ATOM 2342 N ILE A 167 -7.403 -1.723 1.841 1.00 0.19 N ATOM 2343 CA ILE A 167 -6.231 -1.203 1.085 1.00 0.20 C ATOM 2344 C ILE A 167 -5.773 0.099 1.742 1.00 0.19 C ATOM 2345 O ILE A 167 -4.612 0.281 2.043 1.00 0.22 O ATOM 2346 CB ILE A 167 -6.594 -0.918 -0.373 1.00 0.24 C ATOM 2347 CG1 ILE A 167 -7.077 -2.203 -1.049 1.00 0.29 C ATOM 2348 CG2 ILE A 167 -5.349 -0.392 -1.101 1.00 0.19 C ATOM 2349 CD1 ILE A 167 -7.871 -1.845 -2.308 1.00 0.43 C ATOM 0 H ILE A 167 -8.277 -1.787 1.319 1.00 0.19 H new ATOM 0 HA ILE A 167 -5.441 -1.954 1.102 1.00 0.20 H new ATOM 0 HB ILE A 167 -7.391 -0.175 -0.414 1.00 0.24 H new ATOM 0 HG12 ILE A 167 -6.226 -2.833 -1.309 1.00 0.29 H new ATOM 0 HG13 ILE A 167 -7.700 -2.776 -0.363 1.00 0.29 H new ATOM 0 HG21 ILE A 167 -5.597 -0.185 -2.142 1.00 0.19 H new ATOM 0 HG22 ILE A 167 -5.007 0.525 -0.621 1.00 0.19 H new ATOM 0 HG23 ILE A 167 -4.559 -1.141 -1.058 1.00 0.19 H new ATOM 0 HD11 ILE A 167 -8.217 -2.758 -2.792 1.00 0.43 H new ATOM 0 HD12 ILE A 167 -8.730 -1.232 -2.035 1.00 0.43 H new ATOM 0 HD13 ILE A 167 -7.233 -1.289 -2.995 1.00 0.43 H new ATOM 2361 N LEU A 168 -6.687 1.005 1.964 1.00 0.18 N ATOM 2362 CA LEU A 168 -6.320 2.301 2.604 1.00 0.21 C ATOM 2363 C LEU A 168 -5.916 2.064 4.067 1.00 0.26 C ATOM 2364 O LEU A 168 -5.402 2.947 4.725 1.00 0.46 O ATOM 2365 CB LEU A 168 -7.520 3.253 2.559 1.00 0.22 C ATOM 2366 CG LEU A 168 -8.070 3.337 1.132 1.00 0.23 C ATOM 2367 CD1 LEU A 168 -9.575 3.606 1.182 1.00 0.56 C ATOM 2368 CD2 LEU A 168 -7.379 4.480 0.381 1.00 0.31 C ATOM 0 H LEU A 168 -7.674 0.903 1.729 1.00 0.18 H new ATOM 0 HA LEU A 168 -5.482 2.741 2.064 1.00 0.21 H new ATOM 0 HB2 LEU A 168 -8.298 2.903 3.237 1.00 0.22 H new ATOM 0 HB3 LEU A 168 -7.221 4.244 2.901 1.00 0.22 H new ATOM 0 HG LEU A 168 -7.881 2.395 0.617 1.00 0.23 H new ATOM 0 HD11 LEU A 168 -9.968 3.666 0.167 1.00 0.56 H new ATOM 0 HD12 LEU A 168 -10.072 2.796 1.716 1.00 0.56 H new ATOM 0 HD13 LEU A 168 -9.759 4.548 1.699 1.00 0.56 H new ATOM 0 HD21 LEU A 168 -7.772 4.538 -0.634 1.00 0.31 H new ATOM 0 HD22 LEU A 168 -7.568 5.421 0.897 1.00 0.31 H new ATOM 0 HD23 LEU A 168 -6.305 4.295 0.345 1.00 0.31 H new ATOM 2380 N ARG A 169 -6.140 0.883 4.584 1.00 0.10 N ATOM 2381 CA ARG A 169 -5.763 0.605 5.998 1.00 0.13 C ATOM 2382 C ARG A 169 -4.308 0.144 6.047 1.00 0.12 C ATOM 2383 O ARG A 169 -3.577 0.452 6.967 1.00 0.14 O ATOM 2384 CB ARG A 169 -6.663 -0.495 6.566 1.00 0.15 C ATOM 2385 CG ARG A 169 -6.552 -0.505 8.094 1.00 0.18 C ATOM 2386 CD ARG A 169 -5.999 -1.855 8.558 1.00 1.15 C ATOM 2387 NE ARG A 169 -6.740 -2.303 9.772 1.00 1.06 N ATOM 2388 CZ ARG A 169 -6.092 -2.566 10.873 1.00 1.34 C ATOM 2389 NH1 ARG A 169 -5.562 -1.596 11.567 1.00 1.51 N ATOM 2390 NH2 ARG A 169 -5.974 -3.800 11.282 1.00 2.47 N ATOM 0 H ARG A 169 -6.567 0.102 4.087 1.00 0.10 H new ATOM 0 HA ARG A 169 -5.884 1.511 6.591 1.00 0.13 H new ATOM 0 HB2 ARG A 169 -7.697 -0.325 6.267 1.00 0.15 H new ATOM 0 HB3 ARG A 169 -6.370 -1.464 6.163 1.00 0.15 H new ATOM 0 HG2 ARG A 169 -5.898 0.301 8.427 1.00 0.18 H new ATOM 0 HG3 ARG A 169 -7.530 -0.328 8.541 1.00 0.18 H new ATOM 0 HD2 ARG A 169 -6.100 -2.594 7.763 1.00 1.15 H new ATOM 0 HD3 ARG A 169 -4.935 -1.768 8.779 1.00 1.15 H new ATOM 0 HE ARG A 169 -7.755 -2.404 9.741 1.00 1.06 H new ATOM 0 HH11 ARG A 169 -5.654 -0.631 11.248 1.00 1.51 H new ATOM 0 HH12 ARG A 169 -5.055 -1.803 12.428 1.00 1.51 H new ATOM 0 HH21 ARG A 169 -6.389 -4.559 10.741 1.00 2.47 H new ATOM 0 HH22 ARG A 169 -5.467 -4.006 12.143 1.00 2.47 H new ATOM 2404 N SER A 170 -3.879 -0.583 5.052 1.00 0.11 N ATOM 2405 CA SER A 170 -2.476 -1.050 5.026 1.00 0.11 C ATOM 2406 C SER A 170 -1.595 0.128 4.634 1.00 0.10 C ATOM 2407 O SER A 170 -0.641 0.443 5.296 1.00 0.16 O ATOM 2408 CB SER A 170 -2.326 -2.173 4.000 1.00 0.11 C ATOM 2409 OG SER A 170 -2.740 -3.401 4.585 1.00 0.94 O ATOM 0 H SER A 170 -4.447 -0.872 4.255 1.00 0.11 H new ATOM 0 HA SER A 170 -2.184 -1.431 6.005 1.00 0.11 H new ATOM 0 HB2 SER A 170 -2.927 -1.957 3.117 1.00 0.11 H new ATOM 0 HB3 SER A 170 -1.289 -2.245 3.671 1.00 0.11 H new ATOM 0 HG SER A 170 -2.240 -4.141 4.181 1.00 0.94 H new ATOM 2415 N PHE A 171 -1.918 0.801 3.568 1.00 0.01 N ATOM 2416 CA PHE A 171 -1.094 1.971 3.157 1.00 0.03 C ATOM 2417 C PHE A 171 -0.895 2.898 4.359 1.00 0.02 C ATOM 2418 O PHE A 171 0.198 3.333 4.641 1.00 0.06 O ATOM 2419 CB PHE A 171 -1.803 2.726 2.037 1.00 0.06 C ATOM 2420 CG PHE A 171 -1.553 2.024 0.726 1.00 0.10 C ATOM 2421 CD1 PHE A 171 -0.253 1.642 0.374 1.00 1.43 C ATOM 2422 CD2 PHE A 171 -2.620 1.763 -0.140 1.00 1.67 C ATOM 2423 CE1 PHE A 171 -0.020 0.998 -0.844 1.00 1.32 C ATOM 2424 CE2 PHE A 171 -2.386 1.119 -1.361 1.00 1.78 C ATOM 2425 CZ PHE A 171 -1.085 0.738 -1.713 1.00 0.30 C ATOM 0 H PHE A 171 -2.714 0.594 2.965 1.00 0.01 H new ATOM 0 HA PHE A 171 -0.123 1.627 2.800 1.00 0.03 H new ATOM 0 HB2 PHE A 171 -2.873 2.776 2.237 1.00 0.06 H new ATOM 0 HB3 PHE A 171 -1.440 3.752 1.988 1.00 0.06 H new ATOM 0 HD1 PHE A 171 0.570 1.845 1.044 1.00 1.43 H new ATOM 0 HD2 PHE A 171 -3.623 2.058 0.133 1.00 1.67 H new ATOM 0 HE1 PHE A 171 0.982 0.701 -1.115 1.00 1.32 H new ATOM 0 HE2 PHE A 171 -3.208 0.916 -2.031 1.00 1.78 H new ATOM 0 HZ PHE A 171 -0.904 0.243 -2.656 1.00 0.30 H new ATOM 2435 N LYS A 172 -1.938 3.183 5.083 1.00 0.07 N ATOM 2436 CA LYS A 172 -1.787 4.065 6.271 1.00 0.11 C ATOM 2437 C LYS A 172 -0.747 3.461 7.226 1.00 0.12 C ATOM 2438 O LYS A 172 0.329 3.999 7.409 1.00 0.10 O ATOM 2439 CB LYS A 172 -3.132 4.189 6.992 1.00 0.15 C ATOM 2440 CG LYS A 172 -3.243 5.574 7.637 1.00 0.57 C ATOM 2441 CD LYS A 172 -4.347 6.376 6.943 1.00 0.59 C ATOM 2442 CE LYS A 172 -4.695 7.610 7.782 1.00 0.59 C ATOM 2443 NZ LYS A 172 -5.833 8.341 7.150 1.00 1.52 N ATOM 0 H LYS A 172 -2.884 2.846 4.905 1.00 0.07 H new ATOM 0 HA LYS A 172 -1.457 5.053 5.950 1.00 0.11 H new ATOM 0 HB2 LYS A 172 -3.949 4.038 6.287 1.00 0.15 H new ATOM 0 HB3 LYS A 172 -3.221 3.414 7.753 1.00 0.15 H new ATOM 0 HG2 LYS A 172 -3.465 5.475 8.700 1.00 0.57 H new ATOM 0 HG3 LYS A 172 -2.292 6.101 7.558 1.00 0.57 H new ATOM 0 HD2 LYS A 172 -4.018 6.681 5.949 1.00 0.59 H new ATOM 0 HD3 LYS A 172 -5.232 5.754 6.809 1.00 0.59 H new ATOM 0 HE2 LYS A 172 -4.961 7.310 8.796 1.00 0.59 H new ATOM 0 HE3 LYS A 172 -3.827 8.265 7.861 1.00 0.59 H new ATOM 0 HZ1 LYS A 172 -6.068 9.178 7.721 1.00 1.52 H new ATOM 0 HZ2 LYS A 172 -5.564 8.640 6.191 1.00 1.52 H new ATOM 0 HZ3 LYS A 172 -6.662 7.715 7.097 1.00 1.52 H new ATOM 2457 N GLU A 173 -1.060 2.345 7.835 1.00 0.17 N ATOM 2458 CA GLU A 173 -0.093 1.707 8.780 1.00 0.21 C ATOM 2459 C GLU A 173 1.130 1.195 8.013 1.00 0.20 C ATOM 2460 O GLU A 173 2.218 1.707 8.159 1.00 0.21 O ATOM 2461 CB GLU A 173 -0.774 0.532 9.486 1.00 0.23 C ATOM 2462 CG GLU A 173 -0.412 0.547 10.971 1.00 0.32 C ATOM 2463 CD GLU A 173 -0.254 -0.891 11.470 1.00 1.12 C ATOM 2464 OE1 GLU A 173 -1.039 -1.729 11.061 1.00 1.43 O ATOM 2465 OE2 GLU A 173 0.650 -1.129 12.254 1.00 2.03 O ATOM 0 H GLU A 173 -1.943 1.848 7.719 1.00 0.17 H new ATOM 0 HA GLU A 173 0.228 2.446 9.515 1.00 0.21 H new ATOM 0 HB2 GLU A 173 -1.855 0.598 9.364 1.00 0.23 H new ATOM 0 HB3 GLU A 173 -0.460 -0.409 9.034 1.00 0.23 H new ATOM 0 HG2 GLU A 173 0.514 1.101 11.125 1.00 0.32 H new ATOM 0 HG3 GLU A 173 -1.188 1.058 11.541 1.00 0.32 H new ATOM 2472 N PHE A 174 0.942 0.175 7.209 1.00 0.20 N ATOM 2473 CA PHE A 174 2.062 -0.429 6.406 1.00 0.20 C ATOM 2474 C PHE A 174 3.077 0.635 5.949 1.00 0.19 C ATOM 2475 O PHE A 174 4.232 0.603 6.331 1.00 0.26 O ATOM 2476 CB PHE A 174 1.461 -1.109 5.173 1.00 0.19 C ATOM 2477 CG PHE A 174 2.374 -2.201 4.684 1.00 0.20 C ATOM 2478 CD1 PHE A 174 3.527 -1.873 3.967 1.00 0.65 C ATOM 2479 CD2 PHE A 174 2.063 -3.541 4.944 1.00 0.91 C ATOM 2480 CE1 PHE A 174 4.376 -2.886 3.508 1.00 0.63 C ATOM 2481 CE2 PHE A 174 2.911 -4.555 4.483 1.00 0.92 C ATOM 2482 CZ PHE A 174 4.068 -4.227 3.765 1.00 0.20 C ATOM 0 H PHE A 174 0.038 -0.277 7.071 1.00 0.20 H new ATOM 0 HA PHE A 174 2.590 -1.146 7.035 1.00 0.20 H new ATOM 0 HB2 PHE A 174 0.484 -1.525 5.418 1.00 0.19 H new ATOM 0 HB3 PHE A 174 1.306 -0.374 4.383 1.00 0.19 H new ATOM 0 HD1 PHE A 174 3.763 -0.838 3.767 1.00 0.65 H new ATOM 0 HD2 PHE A 174 1.171 -3.792 5.499 1.00 0.91 H new ATOM 0 HE1 PHE A 174 5.269 -2.633 2.955 1.00 0.63 H new ATOM 0 HE2 PHE A 174 2.673 -5.590 4.681 1.00 0.92 H new ATOM 0 HZ PHE A 174 4.723 -5.009 3.410 1.00 0.20 H new ATOM 2492 N LEU A 175 2.668 1.575 5.137 1.00 0.13 N ATOM 2493 CA LEU A 175 3.629 2.622 4.674 1.00 0.13 C ATOM 2494 C LEU A 175 4.281 3.287 5.890 1.00 0.12 C ATOM 2495 O LEU A 175 5.474 3.504 5.922 1.00 0.16 O ATOM 2496 CB LEU A 175 2.891 3.688 3.862 1.00 0.18 C ATOM 2497 CG LEU A 175 2.270 3.062 2.613 1.00 0.37 C ATOM 2498 CD1 LEU A 175 1.268 4.040 1.999 1.00 0.32 C ATOM 2499 CD2 LEU A 175 3.366 2.770 1.587 1.00 0.50 C ATOM 0 H LEU A 175 1.718 1.664 4.776 1.00 0.13 H new ATOM 0 HA LEU A 175 4.390 2.153 4.051 1.00 0.13 H new ATOM 0 HB2 LEU A 175 2.114 4.148 4.472 1.00 0.18 H new ATOM 0 HB3 LEU A 175 3.582 4.481 3.576 1.00 0.18 H new ATOM 0 HG LEU A 175 1.766 2.136 2.889 1.00 0.37 H new ATOM 0 HD11 LEU A 175 0.824 3.595 1.108 1.00 0.32 H new ATOM 0 HD12 LEU A 175 0.484 4.260 2.723 1.00 0.32 H new ATOM 0 HD13 LEU A 175 1.780 4.963 1.727 1.00 0.32 H new ATOM 0 HD21 LEU A 175 2.922 2.324 0.697 1.00 0.50 H new ATOM 0 HD22 LEU A 175 3.867 3.699 1.315 1.00 0.50 H new ATOM 0 HD23 LEU A 175 4.091 2.079 2.016 1.00 0.50 H new ATOM 2511 N GLN A 176 3.504 3.616 6.891 1.00 0.10 N ATOM 2512 CA GLN A 176 4.080 4.271 8.104 1.00 0.10 C ATOM 2513 C GLN A 176 5.267 3.454 8.622 1.00 0.14 C ATOM 2514 O GLN A 176 6.263 3.997 9.060 1.00 0.26 O ATOM 2515 CB GLN A 176 3.008 4.358 9.193 1.00 0.10 C ATOM 2516 CG GLN A 176 2.547 5.809 9.342 1.00 0.17 C ATOM 2517 CD GLN A 176 2.970 6.338 10.713 1.00 0.96 C ATOM 2518 OE1 GLN A 176 2.684 5.732 11.727 1.00 1.12 O ATOM 2519 NE2 GLN A 176 3.645 7.453 10.787 1.00 2.13 N ATOM 0 H GLN A 176 2.497 3.459 6.920 1.00 0.10 H new ATOM 0 HA GLN A 176 4.420 5.273 7.843 1.00 0.10 H new ATOM 0 HB2 GLN A 176 2.162 3.721 8.936 1.00 0.10 H new ATOM 0 HB3 GLN A 176 3.406 3.993 10.140 1.00 0.10 H new ATOM 0 HG2 GLN A 176 2.981 6.423 8.553 1.00 0.17 H new ATOM 0 HG3 GLN A 176 1.464 5.871 9.234 1.00 0.17 H new ATOM 0 HE21 GLN A 176 3.885 7.961 9.936 1.00 2.13 H new ATOM 0 HE22 GLN A 176 3.933 7.816 11.696 1.00 2.13 H new ATOM 2528 N SER A 177 5.174 2.153 8.570 1.00 0.12 N ATOM 2529 CA SER A 177 6.297 1.304 9.053 1.00 0.19 C ATOM 2530 C SER A 177 7.506 1.514 8.142 1.00 0.11 C ATOM 2531 O SER A 177 8.630 1.604 8.594 1.00 0.16 O ATOM 2532 CB SER A 177 5.876 -0.165 9.016 1.00 0.29 C ATOM 2533 OG SER A 177 5.006 -0.431 10.109 1.00 0.29 O ATOM 0 H SER A 177 4.367 1.642 8.213 1.00 0.12 H new ATOM 0 HA SER A 177 6.556 1.578 10.076 1.00 0.19 H new ATOM 0 HB2 SER A 177 5.375 -0.388 8.074 1.00 0.29 H new ATOM 0 HB3 SER A 177 6.754 -0.809 9.070 1.00 0.29 H new ATOM 0 HG SER A 177 4.732 -1.372 10.088 1.00 0.29 H new ATOM 2539 N SER A 178 7.282 1.600 6.860 1.00 0.13 N ATOM 2540 CA SER A 178 8.416 1.814 5.919 1.00 0.15 C ATOM 2541 C SER A 178 8.976 3.228 6.105 1.00 0.14 C ATOM 2542 O SER A 178 10.089 3.522 5.714 1.00 0.40 O ATOM 2543 CB SER A 178 7.923 1.646 4.481 1.00 0.36 C ATOM 2544 OG SER A 178 6.742 0.855 4.478 1.00 1.65 O ATOM 0 H SER A 178 6.363 1.531 6.424 1.00 0.13 H new ATOM 0 HA SER A 178 9.199 1.084 6.123 1.00 0.15 H new ATOM 0 HB2 SER A 178 7.722 2.621 4.037 1.00 0.36 H new ATOM 0 HB3 SER A 178 8.694 1.172 3.873 1.00 0.36 H new ATOM 0 HG SER A 178 6.309 0.917 3.601 1.00 1.65 H new ATOM 2550 N LEU A 179 8.213 4.106 6.702 1.00 0.31 N ATOM 2551 CA LEU A 179 8.694 5.500 6.915 1.00 0.45 C ATOM 2552 C LEU A 179 9.662 5.531 8.101 1.00 0.39 C ATOM 2553 O LEU A 179 10.735 6.095 8.026 1.00 0.52 O ATOM 2554 CB LEU A 179 7.494 6.404 7.213 1.00 0.66 C ATOM 2555 CG LEU A 179 7.700 7.771 6.558 1.00 0.96 C ATOM 2556 CD1 LEU A 179 6.382 8.248 5.946 1.00 1.48 C ATOM 2557 CD2 LEU A 179 8.159 8.776 7.617 1.00 1.85 C ATOM 0 H LEU A 179 7.274 3.915 7.052 1.00 0.31 H new ATOM 0 HA LEU A 179 9.207 5.852 6.020 1.00 0.45 H new ATOM 0 HB2 LEU A 179 6.579 5.945 6.838 1.00 0.66 H new ATOM 0 HB3 LEU A 179 7.374 6.521 8.290 1.00 0.66 H new ATOM 0 HG LEU A 179 8.456 7.690 5.777 1.00 0.96 H new ATOM 0 HD11 LEU A 179 6.529 9.222 5.479 1.00 1.48 H new ATOM 0 HD12 LEU A 179 6.050 7.532 5.194 1.00 1.48 H new ATOM 0 HD13 LEU A 179 5.627 8.330 6.728 1.00 1.48 H new ATOM 0 HD21 LEU A 179 8.307 9.751 7.153 1.00 1.85 H new ATOM 0 HD22 LEU A 179 7.401 8.856 8.396 1.00 1.85 H new ATOM 0 HD23 LEU A 179 9.097 8.438 8.057 1.00 1.85 H new ATOM 2569 N ARG A 180 9.290 4.933 9.200 1.00 0.27 N ATOM 2570 CA ARG A 180 10.188 4.937 10.390 1.00 0.32 C ATOM 2571 C ARG A 180 11.351 3.963 10.175 1.00 0.33 C ATOM 2572 O ARG A 180 12.366 4.042 10.840 1.00 0.38 O ATOM 2573 CB ARG A 180 9.392 4.517 11.627 1.00 0.45 C ATOM 2574 CG ARG A 180 9.419 5.647 12.659 1.00 0.85 C ATOM 2575 CD ARG A 180 8.292 6.637 12.359 1.00 1.95 C ATOM 2576 NE ARG A 180 7.567 6.957 13.620 1.00 2.03 N ATOM 2577 CZ ARG A 180 6.385 6.451 13.839 1.00 2.07 C ATOM 2578 NH1 ARG A 180 6.164 5.186 13.610 1.00 1.85 N ATOM 2579 NH2 ARG A 180 5.424 7.209 14.291 1.00 3.11 N ATOM 0 H ARG A 180 8.404 4.443 9.325 1.00 0.27 H new ATOM 0 HA ARG A 180 10.588 5.941 10.533 1.00 0.32 H new ATOM 0 HB2 ARG A 180 8.363 4.288 11.350 1.00 0.45 H new ATOM 0 HB3 ARG A 180 9.817 3.609 12.055 1.00 0.45 H new ATOM 0 HG2 ARG A 180 9.302 5.240 13.663 1.00 0.85 H new ATOM 0 HG3 ARG A 180 10.382 6.156 12.631 1.00 0.85 H new ATOM 0 HD2 ARG A 180 8.700 7.547 11.920 1.00 1.95 H new ATOM 0 HD3 ARG A 180 7.604 6.211 11.629 1.00 1.95 H new ATOM 0 HE ARG A 180 7.995 7.572 14.312 1.00 2.03 H new ATOM 0 HH11 ARG A 180 6.916 4.592 13.260 1.00 1.85 H new ATOM 0 HH12 ARG A 180 5.240 4.791 13.781 1.00 1.85 H new ATOM 0 HH21 ARG A 180 5.597 8.198 14.473 1.00 3.11 H new ATOM 0 HH22 ARG A 180 4.500 6.813 14.462 1.00 3.11 H new ATOM 2593 N ALA A 181 11.222 3.051 9.250 1.00 0.30 N ATOM 2594 CA ALA A 181 12.330 2.092 9.008 1.00 0.32 C ATOM 2595 C ALA A 181 13.390 2.775 8.152 1.00 0.33 C ATOM 2596 O ALA A 181 14.573 2.643 8.387 1.00 0.46 O ATOM 2597 CB ALA A 181 11.793 0.861 8.275 1.00 0.29 C ATOM 0 H ALA A 181 10.401 2.931 8.656 1.00 0.30 H new ATOM 0 HA ALA A 181 12.764 1.779 9.958 1.00 0.32 H new ATOM 0 HB1 ALA A 181 12.608 0.159 8.098 1.00 0.29 H new ATOM 0 HB2 ALA A 181 11.026 0.381 8.883 1.00 0.29 H new ATOM 0 HB3 ALA A 181 11.363 1.165 7.321 1.00 0.29 H new ATOM 2603 N LEU A 182 12.973 3.515 7.164 1.00 0.21 N ATOM 2604 CA LEU A 182 13.959 4.211 6.300 1.00 0.24 C ATOM 2605 C LEU A 182 14.679 5.282 7.121 1.00 0.33 C ATOM 2606 O LEU A 182 15.876 5.458 7.018 1.00 0.24 O ATOM 2607 CB LEU A 182 13.241 4.857 5.115 1.00 0.21 C ATOM 2608 CG LEU A 182 13.325 3.928 3.903 1.00 0.30 C ATOM 2609 CD1 LEU A 182 12.417 2.717 4.123 1.00 0.98 C ATOM 2610 CD2 LEU A 182 12.871 4.680 2.652 1.00 0.83 C ATOM 0 H LEU A 182 11.994 3.666 6.920 1.00 0.21 H new ATOM 0 HA LEU A 182 14.687 3.493 5.923 1.00 0.24 H new ATOM 0 HB2 LEU A 182 12.198 5.049 5.368 1.00 0.21 H new ATOM 0 HB3 LEU A 182 13.695 5.820 4.881 1.00 0.21 H new ATOM 0 HG LEU A 182 14.354 3.593 3.775 1.00 0.30 H new ATOM 0 HD11 LEU A 182 12.477 2.055 3.259 1.00 0.98 H new ATOM 0 HD12 LEU A 182 12.738 2.179 5.015 1.00 0.98 H new ATOM 0 HD13 LEU A 182 11.388 3.052 4.252 1.00 0.98 H new ATOM 0 HD21 LEU A 182 12.931 4.018 1.788 1.00 0.83 H new ATOM 0 HD22 LEU A 182 11.842 5.015 2.782 1.00 0.83 H new ATOM 0 HD23 LEU A 182 13.516 5.544 2.493 1.00 0.83 H new ATOM 2622 N ARG A 183 13.959 5.995 7.945 1.00 0.53 N ATOM 2623 CA ARG A 183 14.605 7.047 8.780 1.00 0.63 C ATOM 2624 C ARG A 183 15.527 6.375 9.800 1.00 0.66 C ATOM 2625 O ARG A 183 16.535 6.925 10.198 1.00 0.75 O ATOM 2626 CB ARG A 183 13.527 7.854 9.510 1.00 0.58 C ATOM 2627 CG ARG A 183 14.190 8.914 10.395 1.00 0.63 C ATOM 2628 CD ARG A 183 13.710 10.305 9.974 1.00 0.85 C ATOM 2629 NE ARG A 183 12.299 10.499 10.412 1.00 1.37 N ATOM 2630 CZ ARG A 183 12.013 10.586 11.683 1.00 1.84 C ATOM 2631 NH1 ARG A 183 12.024 11.748 12.275 1.00 1.97 N ATOM 2632 NH2 ARG A 183 11.719 9.511 12.359 1.00 2.93 N ATOM 0 H ARG A 183 12.952 5.894 8.076 1.00 0.53 H new ATOM 0 HA ARG A 183 15.186 7.718 8.147 1.00 0.63 H new ATOM 0 HB2 ARG A 183 12.864 8.331 8.788 1.00 0.58 H new ATOM 0 HB3 ARG A 183 12.911 7.191 10.118 1.00 0.58 H new ATOM 0 HG2 ARG A 183 13.944 8.734 11.442 1.00 0.63 H new ATOM 0 HG3 ARG A 183 15.275 8.850 10.307 1.00 0.63 H new ATOM 0 HD2 ARG A 183 14.348 11.070 10.416 1.00 0.85 H new ATOM 0 HD3 ARG A 183 13.784 10.415 8.892 1.00 0.85 H new ATOM 0 HE ARG A 183 11.555 10.564 9.717 1.00 1.37 H new ATOM 0 HH11 ARG A 183 12.256 12.588 11.745 1.00 1.97 H new ATOM 0 HH12 ARG A 183 11.801 11.817 13.268 1.00 1.97 H new ATOM 0 HH21 ARG A 183 11.712 8.603 11.895 1.00 2.93 H new ATOM 0 HH22 ARG A 183 11.495 9.578 13.352 1.00 2.93 H new ATOM 2646 N GLN A 184 15.194 5.182 10.217 1.00 0.61 N ATOM 2647 CA GLN A 184 16.050 4.464 11.197 1.00 0.66 C ATOM 2648 C GLN A 184 17.239 3.834 10.462 1.00 0.72 C ATOM 2649 O GLN A 184 18.225 3.461 11.065 1.00 0.70 O ATOM 2650 CB GLN A 184 15.211 3.370 11.874 1.00 0.61 C ATOM 2651 CG GLN A 184 16.108 2.440 12.695 1.00 1.60 C ATOM 2652 CD GLN A 184 16.838 3.245 13.773 1.00 1.92 C ATOM 2653 OE1 GLN A 184 16.216 3.927 14.563 1.00 1.21 O ATOM 2654 NE2 GLN A 184 18.141 3.193 13.839 1.00 3.32 N ATOM 0 H GLN A 184 14.361 4.675 9.918 1.00 0.61 H new ATOM 0 HA GLN A 184 16.425 5.156 11.951 1.00 0.66 H new ATOM 0 HB2 GLN A 184 14.461 3.826 12.520 1.00 0.61 H new ATOM 0 HB3 GLN A 184 14.674 2.795 11.119 1.00 0.61 H new ATOM 0 HG2 GLN A 184 15.509 1.656 13.157 1.00 1.60 H new ATOM 0 HG3 GLN A 184 16.830 1.948 12.044 1.00 1.60 H new ATOM 0 HE21 GLN A 184 18.663 2.620 13.176 1.00 3.32 H new ATOM 0 HE22 GLN A 184 18.637 3.725 14.554 1.00 3.32 H new ATOM 2663 N MET A 185 17.155 3.707 9.164 1.00 0.80 N ATOM 2664 CA MET A 185 18.279 3.098 8.404 1.00 0.86 C ATOM 2665 C MET A 185 19.432 4.098 8.308 1.00 0.94 C ATOM 2666 O MET A 185 19.222 5.248 8.655 1.00 1.64 O ATOM 2667 CB MET A 185 17.801 2.730 7.001 1.00 1.05 C ATOM 2668 CG MET A 185 17.105 1.369 7.043 1.00 0.52 C ATOM 2669 SD MET A 185 16.631 0.879 5.365 1.00 0.72 S ATOM 2670 CE MET A 185 14.944 0.349 5.749 1.00 0.61 C ATOM 2671 OXT MET A 185 20.506 3.695 7.890 1.00 0.91 O ATOM 0 H MET A 185 16.357 3.999 8.600 1.00 0.80 H new ATOM 0 HA MET A 185 18.623 2.200 8.918 1.00 0.86 H new ATOM 0 HB2 MET A 185 17.115 3.490 6.627 1.00 1.05 H new ATOM 0 HB3 MET A 185 18.646 2.698 6.314 1.00 1.05 H new ATOM 0 HG2 MET A 185 17.770 0.622 7.477 1.00 0.52 H new ATOM 0 HG3 MET A 185 16.223 1.420 7.681 1.00 0.52 H new ATOM 0 HE1 MET A 185 14.410 0.135 4.823 1.00 0.61 H new ATOM 0 HE2 MET A 185 14.976 -0.550 6.365 1.00 0.61 H new ATOM 0 HE3 MET A 185 14.428 1.142 6.291 1.00 0.61 H new