USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 945 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 142 SER OG : rot 160:sc= 0.119 USER MOD Set 1.2: A 144 ASN : amide:sc= 0 X(o=0.12,f=-0.34) USER MOD Set 2.1: A 68 CYS SG : rot 67:sc= -2.51! USER MOD Set 2.2: A 119 HIS : no HD1:sc= 0.903 K(o=-0.8,f=-11!) USER MOD Set 2.3: A 131 HIS : no HD1:sc= 0.247 K(o=-0.8,f=-12!) USER MOD Set 2.4: A 141 SER OG : rot 62:sc= 0.556 USER MOD Set 3.1: A 123 TYR OH : rot -161:sc= 0.0506! USER MOD Set 3.2: A 126 ASN : amide:sc= -0.0506 K(o=0.94,f=0.12) USER MOD Set 3.3: A 127 ASN : amide:sc= 0.94 K(o=0.94,f=-5.7!) USER MOD Set 4.1: A 47 GLN : amide:sc= -0.0284 K(o=-4,f=-6.1!) USER MOD Set 4.2: A 79 GLN : amide:sc= -4.01! C(o=-4!,f=-13!) USER MOD Set 5.1: A 69 SER OG : rot -136:sc= 0.904 USER MOD Set 5.2: A 88 THR OG1 : rot 180:sc= -1.03 USER MOD Set 5.3: A 91 GLN : amide:sc= 0.219 K(o=0.096,f=-1.6) USER MOD Set 6.1: A 48 TYR OH : rot 166:sc= 0.371 USER MOD Set 6.2: A 52 LYS NZ :NH3+ -127:sc= 1.1 (180deg=-0.0717) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 145:sc= -1.04 (180deg=-3.14!) USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 180:sc= -0.693 USER MOD Single : A 62 THR OG1 : rot 140:sc= -1.04 USER MOD Single : A 63 LYS NZ :NH3+ 158:sc= 0.903 (180deg=-0.0797) USER MOD Single : A 64 LYS NZ :NH3+ -164:sc= -0.0417 (180deg=-0.276) USER MOD Single : A 73 GLN : amide:sc= -0.102 K(o=-0.1,f=-1.6) USER MOD Single : A 75 THR OG1 : rot 72:sc= 0.64 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 GLN : amide:sc= -1.7 K(o=-1.7,f=-6.2!) USER MOD Single : A 94 MET CE :methyl -158:sc= -0.173 (180deg=-0.722) USER MOD Single : A 96 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 SER OG : rot 55:sc= 0.0226 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 ASN :FLIP amide:sc= -0.0222 F(o=-0.67,f=-0.022) USER MOD Single : A 105 THR OG1 : rot -84:sc= 0.433 USER MOD Single : A 128 GLN :FLIP amide:sc= 0 F(o=-0.88,f=0) USER MOD Single : A 133 SER OG : rot -63:sc= 1.35 USER MOD Single : A 134 THR OG1 : rot 180:sc= 0 USER MOD Single : A 135 SER OG : rot 180:sc= 0 USER MOD Single : A 136 SER OG : rot 180:sc= 0 USER MOD Single : A 143 MET CE :methyl 165:sc= -0.301 (180deg=-0.986) USER MOD Single : A 147 TYR OH : rot -108:sc= 0.373 USER MOD Single : A 149 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 150 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 152 TYR OH : rot 180:sc= 0 USER MOD Single : A 153 ASN : amide:sc= -1.61! C(o=-1.6!,f=-3.1!) USER MOD ----------------------------------------------------------------- ATOM 50 N ASP A 39 -10.280 -13.755 3.545 1.00 5.33 N ATOM 51 CA ASP A 39 -9.629 -13.222 2.347 1.00 53.32 C ATOM 52 C ASP A 39 -8.711 -12.039 2.675 1.00 32.11 C ATOM 53 O ASP A 39 -9.088 -11.126 3.417 1.00 24.55 O ATOM 54 CB ASP A 39 -10.675 -12.800 1.310 1.00 12.21 C ATOM 55 CG ASP A 39 -11.334 -13.990 0.645 1.00 23.34 C ATOM 56 OD1 ASP A 39 -10.758 -14.520 -0.334 1.00 73.20 O ATOM 57 OD2 ASP A 39 -12.420 -14.409 1.091 1.00 31.52 O ATOM 0 HA ASP A 39 -9.012 -14.019 1.932 1.00 53.32 H new ATOM 0 HB2 ASP A 39 -11.437 -12.188 1.793 1.00 12.21 H new ATOM 0 HB3 ASP A 39 -10.201 -12.178 0.551 1.00 12.21 H new ATOM 62 N VAL A 40 -7.509 -12.054 2.103 1.00 0.22 N ATOM 63 CA VAL A 40 -6.542 -10.970 2.290 1.00 31.14 C ATOM 64 C VAL A 40 -7.154 -9.617 1.892 1.00 41.11 C ATOM 65 O VAL A 40 -7.146 -8.662 2.671 1.00 63.52 O ATOM 66 CB VAL A 40 -5.259 -11.224 1.455 1.00 4.13 C ATOM 67 CG1 VAL A 40 -4.246 -10.097 1.639 1.00 75.10 C ATOM 68 CG2 VAL A 40 -4.641 -12.575 1.817 1.00 14.21 C ATOM 0 H VAL A 40 -7.178 -12.809 1.502 1.00 0.22 H new ATOM 0 HA VAL A 40 -6.277 -10.943 3.347 1.00 31.14 H new ATOM 0 HB VAL A 40 -5.542 -11.246 0.403 1.00 4.13 H new ATOM 0 HG11 VAL A 40 -3.358 -10.304 1.041 1.00 75.10 H new ATOM 0 HG12 VAL A 40 -4.688 -9.154 1.317 1.00 75.10 H new ATOM 0 HG13 VAL A 40 -3.967 -10.027 2.690 1.00 75.10 H new ATOM 0 HG21 VAL A 40 -3.742 -12.735 1.221 1.00 14.21 H new ATOM 0 HG22 VAL A 40 -4.381 -12.584 2.876 1.00 14.21 H new ATOM 0 HG23 VAL A 40 -5.358 -13.370 1.613 1.00 14.21 H new ATOM 78 N LYS A 41 -7.713 -9.565 0.685 1.00 23.40 N ATOM 79 CA LYS A 41 -8.356 -8.350 0.170 1.00 53.35 C ATOM 80 C LYS A 41 -9.483 -7.864 1.098 1.00 74.31 C ATOM 81 O LYS A 41 -9.607 -6.670 1.358 1.00 63.43 O ATOM 82 CB LYS A 41 -8.911 -8.609 -1.238 1.00 52.40 C ATOM 83 CG LYS A 41 -9.602 -7.404 -1.872 1.00 31.32 C ATOM 84 CD LYS A 41 -10.093 -7.717 -3.284 1.00 53.20 C ATOM 85 CE LYS A 41 -10.769 -6.514 -3.932 1.00 65.13 C ATOM 86 NZ LYS A 41 -11.212 -6.802 -5.320 1.00 23.04 N ATOM 0 H LYS A 41 -7.735 -10.354 0.039 1.00 23.40 H new ATOM 0 HA LYS A 41 -7.600 -7.566 0.127 1.00 53.35 H new ATOM 0 HB2 LYS A 41 -8.094 -8.927 -1.885 1.00 52.40 H new ATOM 0 HB3 LYS A 41 -9.620 -9.436 -1.190 1.00 52.40 H new ATOM 0 HG2 LYS A 41 -10.445 -7.099 -1.252 1.00 31.32 H new ATOM 0 HG3 LYS A 41 -8.910 -6.562 -1.905 1.00 31.32 H new ATOM 0 HD2 LYS A 41 -9.251 -8.035 -3.899 1.00 53.20 H new ATOM 0 HD3 LYS A 41 -10.794 -8.551 -3.248 1.00 53.20 H new ATOM 0 HE2 LYS A 41 -11.629 -6.215 -3.332 1.00 65.13 H new ATOM 0 HE3 LYS A 41 -10.078 -5.671 -3.940 1.00 65.13 H new ATOM 0 HZ1 LYS A 41 -11.666 -5.957 -5.722 1.00 23.04 H new ATOM 0 HZ2 LYS A 41 -10.389 -7.062 -5.900 1.00 23.04 H new ATOM 0 HZ3 LYS A 41 -11.892 -7.589 -5.311 1.00 23.04 H new ATOM 100 N SER A 42 -10.290 -8.800 1.601 1.00 22.43 N ATOM 101 CA SER A 42 -11.415 -8.465 2.493 1.00 24.51 C ATOM 102 C SER A 42 -10.945 -7.722 3.754 1.00 34.14 C ATOM 103 O SER A 42 -11.538 -6.717 4.155 1.00 3.43 O ATOM 104 CB SER A 42 -12.179 -9.734 2.898 1.00 51.11 C ATOM 105 OG SER A 42 -13.250 -9.433 3.777 1.00 43.40 O ATOM 0 H SER A 42 -10.190 -9.797 1.409 1.00 22.43 H new ATOM 0 HA SER A 42 -12.078 -7.803 1.937 1.00 24.51 H new ATOM 0 HB2 SER A 42 -12.565 -10.228 2.007 1.00 51.11 H new ATOM 0 HB3 SER A 42 -11.496 -10.434 3.380 1.00 51.11 H new ATOM 0 HG SER A 42 -13.719 -10.260 4.016 1.00 43.40 H new ATOM 111 N ARG A 43 -9.876 -8.216 4.376 1.00 70.41 N ATOM 112 CA ARG A 43 -9.307 -7.569 5.565 1.00 2.33 C ATOM 113 C ARG A 43 -8.719 -6.185 5.224 1.00 23.42 C ATOM 114 O ARG A 43 -8.938 -5.204 5.942 1.00 73.44 O ATOM 115 CB ARG A 43 -8.228 -8.468 6.184 1.00 10.02 C ATOM 116 CG ARG A 43 -8.748 -9.810 6.707 1.00 21.32 C ATOM 117 CD ARG A 43 -9.539 -9.666 8.011 1.00 40.14 C ATOM 118 NE ARG A 43 -10.810 -8.955 7.839 1.00 1.11 N ATOM 119 CZ ARG A 43 -11.389 -8.242 8.773 1.00 21.10 C ATOM 120 NH1 ARG A 43 -10.823 -8.070 9.922 1.00 71.42 N ATOM 121 NH2 ARG A 43 -12.531 -7.683 8.544 1.00 73.14 N ATOM 0 H ARG A 43 -9.385 -9.060 4.080 1.00 70.41 H new ATOM 0 HA ARG A 43 -10.109 -7.421 6.288 1.00 2.33 H new ATOM 0 HB2 ARG A 43 -7.457 -8.657 5.437 1.00 10.02 H new ATOM 0 HB3 ARG A 43 -7.752 -7.932 7.005 1.00 10.02 H new ATOM 0 HG2 ARG A 43 -9.383 -10.270 5.950 1.00 21.32 H new ATOM 0 HG3 ARG A 43 -7.907 -10.484 6.869 1.00 21.32 H new ATOM 0 HD2 ARG A 43 -9.737 -10.657 8.420 1.00 40.14 H new ATOM 0 HD3 ARG A 43 -8.929 -9.135 8.742 1.00 40.14 H new ATOM 0 HE ARG A 43 -11.274 -9.020 6.933 1.00 1.11 H new ATOM 0 HH11 ARG A 43 -9.914 -8.492 10.111 1.00 71.42 H new ATOM 0 HH12 ARG A 43 -11.285 -7.512 10.640 1.00 71.42 H new ATOM 0 HH21 ARG A 43 -12.982 -7.797 7.636 1.00 73.14 H new ATOM 0 HH22 ARG A 43 -12.982 -7.128 9.271 1.00 73.14 H new ATOM 135 N ILE A 44 -7.983 -6.112 4.113 1.00 73.21 N ATOM 136 CA ILE A 44 -7.427 -4.842 3.630 1.00 42.21 C ATOM 137 C ILE A 44 -8.541 -3.806 3.383 1.00 1.15 C ATOM 138 O ILE A 44 -8.397 -2.625 3.714 1.00 44.15 O ATOM 139 CB ILE A 44 -6.625 -5.049 2.319 1.00 53.20 C ATOM 140 CG1 ILE A 44 -5.490 -6.064 2.537 1.00 32.53 C ATOM 141 CG2 ILE A 44 -6.067 -3.719 1.811 1.00 54.44 C ATOM 142 CD1 ILE A 44 -4.800 -6.492 1.257 1.00 5.51 C ATOM 0 H ILE A 44 -7.757 -6.917 3.529 1.00 73.21 H new ATOM 0 HA ILE A 44 -6.758 -4.468 4.405 1.00 42.21 H new ATOM 0 HB ILE A 44 -7.302 -5.446 1.562 1.00 53.20 H new ATOM 0 HG12 ILE A 44 -4.751 -5.630 3.210 1.00 32.53 H new ATOM 0 HG13 ILE A 44 -5.894 -6.946 3.034 1.00 32.53 H new ATOM 0 HG21 ILE A 44 -5.508 -3.887 0.891 1.00 54.44 H new ATOM 0 HG22 ILE A 44 -6.889 -3.030 1.616 1.00 54.44 H new ATOM 0 HG23 ILE A 44 -5.406 -3.290 2.564 1.00 54.44 H new ATOM 0 HD11 ILE A 44 -4.012 -7.208 1.490 1.00 5.51 H new ATOM 0 HD12 ILE A 44 -5.526 -6.957 0.590 1.00 5.51 H new ATOM 0 HD13 ILE A 44 -4.365 -5.620 0.769 1.00 5.51 H new ATOM 154 N MET A 45 -9.653 -4.261 2.804 1.00 0.13 N ATOM 155 CA MET A 45 -10.811 -3.393 2.555 1.00 31.32 C ATOM 156 C MET A 45 -11.471 -2.942 3.866 1.00 4.51 C ATOM 157 O MET A 45 -12.019 -1.843 3.944 1.00 13.23 O ATOM 158 CB MET A 45 -11.840 -4.104 1.664 1.00 61.21 C ATOM 159 CG MET A 45 -11.352 -4.414 0.248 1.00 21.21 C ATOM 160 SD MET A 45 -10.993 -2.938 -0.734 1.00 70.54 S ATOM 161 CE MET A 45 -9.283 -2.594 -0.306 1.00 54.20 C ATOM 0 H MET A 45 -9.779 -5.226 2.498 1.00 0.13 H new ATOM 0 HA MET A 45 -10.447 -2.505 2.038 1.00 31.32 H new ATOM 0 HB2 MET A 45 -12.134 -5.037 2.145 1.00 61.21 H new ATOM 0 HB3 MET A 45 -12.734 -3.484 1.598 1.00 61.21 H new ATOM 0 HG2 MET A 45 -10.453 -5.027 0.309 1.00 21.21 H new ATOM 0 HG3 MET A 45 -12.108 -5.007 -0.266 1.00 21.21 H new ATOM 0 HE1 MET A 45 -8.763 -2.197 -1.178 1.00 54.20 H new ATOM 0 HE2 MET A 45 -9.250 -1.862 0.501 1.00 54.20 H new ATOM 0 HE3 MET A 45 -8.797 -3.514 0.019 1.00 54.20 H new ATOM 171 N ASP A 46 -11.415 -3.789 4.896 1.00 73.12 N ATOM 172 CA ASP A 46 -11.955 -3.434 6.211 1.00 34.21 C ATOM 173 C ASP A 46 -11.238 -2.201 6.784 1.00 23.54 C ATOM 174 O ASP A 46 -11.871 -1.310 7.358 1.00 22.23 O ATOM 175 CB ASP A 46 -11.839 -4.617 7.177 1.00 30.14 C ATOM 176 CG ASP A 46 -12.471 -4.318 8.526 1.00 73.04 C ATOM 177 OD1 ASP A 46 -13.717 -4.257 8.602 1.00 73.02 O ATOM 178 OD2 ASP A 46 -11.732 -4.127 9.512 1.00 72.23 O ATOM 0 H ASP A 46 -11.004 -4.721 4.846 1.00 73.12 H new ATOM 0 HA ASP A 46 -13.010 -3.188 6.088 1.00 34.21 H new ATOM 0 HB2 ASP A 46 -12.320 -5.491 6.738 1.00 30.14 H new ATOM 0 HB3 ASP A 46 -10.788 -4.868 7.317 1.00 30.14 H new ATOM 183 N GLN A 47 -9.913 -2.156 6.624 1.00 53.44 N ATOM 184 CA GLN A 47 -9.136 -0.964 6.990 1.00 45.12 C ATOM 185 C GLN A 47 -9.452 0.211 6.053 1.00 43.50 C ATOM 186 O GLN A 47 -9.845 1.286 6.503 1.00 72.00 O ATOM 187 CB GLN A 47 -7.625 -1.257 6.969 1.00 45.14 C ATOM 188 CG GLN A 47 -7.126 -2.036 8.184 1.00 62.34 C ATOM 189 CD GLN A 47 -7.291 -1.270 9.491 1.00 54.14 C ATOM 190 OE1 GLN A 47 -7.242 -0.045 9.522 1.00 1.44 O ATOM 191 NE2 GLN A 47 -7.488 -1.985 10.582 1.00 41.12 N ATOM 0 H GLN A 47 -9.357 -2.924 6.247 1.00 53.44 H new ATOM 0 HA GLN A 47 -9.423 -0.689 8.005 1.00 45.12 H new ATOM 0 HB2 GLN A 47 -7.387 -1.820 6.067 1.00 45.14 H new ATOM 0 HB3 GLN A 47 -7.083 -0.313 6.908 1.00 45.14 H new ATOM 0 HG2 GLN A 47 -7.668 -2.979 8.251 1.00 62.34 H new ATOM 0 HG3 GLN A 47 -6.073 -2.282 8.044 1.00 62.34 H new ATOM 0 HE21 GLN A 47 -7.524 -3.003 10.525 1.00 41.12 H new ATOM 0 HE22 GLN A 47 -7.604 -1.520 11.482 1.00 41.12 H new ATOM 200 N TYR A 48 -9.296 -0.006 4.747 1.00 32.23 N ATOM 201 CA TYR A 48 -9.549 1.042 3.744 1.00 74.15 C ATOM 202 C TYR A 48 -10.898 1.752 3.970 1.00 4.33 C ATOM 203 O TYR A 48 -10.970 2.980 3.950 1.00 61.31 O ATOM 204 CB TYR A 48 -9.498 0.450 2.327 1.00 51.34 C ATOM 205 CG TYR A 48 -10.003 1.398 1.253 1.00 54.53 C ATOM 206 CD1 TYR A 48 -9.400 2.636 1.048 1.00 10.33 C ATOM 207 CD2 TYR A 48 -11.097 1.064 0.461 1.00 3.43 C ATOM 208 CE1 TYR A 48 -9.870 3.508 0.083 1.00 33.14 C ATOM 209 CE2 TYR A 48 -11.572 1.932 -0.500 1.00 75.33 C ATOM 210 CZ TYR A 48 -10.957 3.150 -0.687 1.00 62.23 C ATOM 211 OH TYR A 48 -11.441 4.018 -1.638 1.00 15.02 O ATOM 0 H TYR A 48 -8.995 -0.898 4.353 1.00 32.23 H new ATOM 0 HA TYR A 48 -8.763 1.789 3.855 1.00 74.15 H new ATOM 0 HB2 TYR A 48 -8.471 0.168 2.097 1.00 51.34 H new ATOM 0 HB3 TYR A 48 -10.092 -0.463 2.302 1.00 51.34 H new ATOM 0 HD1 TYR A 48 -8.551 2.920 1.652 1.00 10.33 H new ATOM 0 HD2 TYR A 48 -11.582 0.109 0.601 1.00 3.43 H new ATOM 0 HE1 TYR A 48 -9.389 4.463 -0.067 1.00 33.14 H new ATOM 0 HE2 TYR A 48 -12.424 1.657 -1.104 1.00 75.33 H new ATOM 0 HH TYR A 48 -12.048 3.539 -2.240 1.00 15.02 H new ATOM 221 N ALA A 49 -11.960 0.975 4.192 1.00 4.55 N ATOM 222 CA ALA A 49 -13.298 1.531 4.446 1.00 55.21 C ATOM 223 C ALA A 49 -13.291 2.513 5.631 1.00 23.24 C ATOM 224 O ALA A 49 -14.041 3.492 5.655 1.00 2.02 O ATOM 225 CB ALA A 49 -14.296 0.401 4.694 1.00 71.32 C ATOM 0 H ALA A 49 -11.923 -0.044 4.202 1.00 4.55 H new ATOM 0 HA ALA A 49 -13.602 2.090 3.561 1.00 55.21 H new ATOM 0 HB1 ALA A 49 -15.284 0.822 4.881 1.00 71.32 H new ATOM 0 HB2 ALA A 49 -14.338 -0.246 3.818 1.00 71.32 H new ATOM 0 HB3 ALA A 49 -13.980 -0.180 5.560 1.00 71.32 H new ATOM 231 N ASP A 50 -12.424 2.249 6.603 1.00 51.35 N ATOM 232 CA ASP A 50 -12.284 3.108 7.781 1.00 14.13 C ATOM 233 C ASP A 50 -11.403 4.336 7.469 1.00 1.54 C ATOM 234 O ASP A 50 -11.584 5.412 8.044 1.00 25.31 O ATOM 235 CB ASP A 50 -11.684 2.288 8.934 1.00 51.12 C ATOM 236 CG ASP A 50 -11.694 3.031 10.259 1.00 13.23 C ATOM 237 OD1 ASP A 50 -12.764 3.547 10.653 1.00 5.12 O ATOM 238 OD2 ASP A 50 -10.638 3.102 10.921 1.00 20.34 O ATOM 0 H ASP A 50 -11.802 1.441 6.600 1.00 51.35 H new ATOM 0 HA ASP A 50 -13.268 3.476 8.072 1.00 14.13 H new ATOM 0 HB2 ASP A 50 -12.243 1.358 9.041 1.00 51.12 H new ATOM 0 HB3 ASP A 50 -10.658 2.016 8.684 1.00 51.12 H new ATOM 243 N TRP A 51 -10.458 4.168 6.542 1.00 64.12 N ATOM 244 CA TRP A 51 -9.507 5.234 6.187 1.00 71.51 C ATOM 245 C TRP A 51 -9.936 6.038 4.943 1.00 11.12 C ATOM 246 O TRP A 51 -9.209 6.929 4.498 1.00 65.22 O ATOM 247 CB TRP A 51 -8.103 4.642 5.990 1.00 52.54 C ATOM 248 CG TRP A 51 -7.497 4.138 7.270 1.00 24.31 C ATOM 249 CD1 TRP A 51 -7.756 2.950 7.892 1.00 53.33 C ATOM 250 CD2 TRP A 51 -6.540 4.817 8.095 1.00 41.20 C ATOM 251 NE1 TRP A 51 -7.022 2.850 9.044 1.00 20.12 N ATOM 252 CE2 TRP A 51 -6.266 3.980 9.191 1.00 25.22 C ATOM 253 CE3 TRP A 51 -5.889 6.052 8.012 1.00 62.24 C ATOM 254 CZ2 TRP A 51 -5.370 4.338 10.196 1.00 30.31 C ATOM 255 CZ3 TRP A 51 -4.997 6.404 9.009 1.00 33.40 C ATOM 256 CH2 TRP A 51 -4.746 5.549 10.089 1.00 23.45 C ATOM 0 H TRP A 51 -10.327 3.302 6.019 1.00 64.12 H new ATOM 0 HA TRP A 51 -9.495 5.939 7.018 1.00 71.51 H new ATOM 0 HB2 TRP A 51 -8.157 3.824 5.272 1.00 52.54 H new ATOM 0 HB3 TRP A 51 -7.451 5.402 5.559 1.00 52.54 H new ATOM 0 HD1 TRP A 51 -8.441 2.198 7.528 1.00 53.33 H new ATOM 0 HE1 TRP A 51 -7.037 2.060 9.689 1.00 20.12 H new ATOM 0 HE3 TRP A 51 -6.079 6.719 7.184 1.00 62.24 H new ATOM 0 HZ2 TRP A 51 -5.175 3.681 11.031 1.00 30.31 H new ATOM 0 HZ3 TRP A 51 -4.486 7.354 8.953 1.00 33.40 H new ATOM 0 HH2 TRP A 51 -4.045 5.853 10.853 1.00 23.45 H new ATOM 267 N LYS A 52 -11.108 5.738 4.384 1.00 52.41 N ATOM 268 CA LYS A 52 -11.661 6.556 3.295 1.00 24.52 C ATOM 269 C LYS A 52 -11.907 8.000 3.767 1.00 44.53 C ATOM 270 O LYS A 52 -12.626 8.233 4.741 1.00 74.41 O ATOM 271 CB LYS A 52 -12.968 5.956 2.751 1.00 15.33 C ATOM 272 CG LYS A 52 -12.789 4.622 2.030 1.00 43.32 C ATOM 273 CD LYS A 52 -14.096 4.115 1.421 1.00 30.14 C ATOM 274 CE LYS A 52 -14.616 5.033 0.314 1.00 52.53 C ATOM 275 NZ LYS A 52 -13.699 5.082 -0.862 1.00 43.33 N ATOM 0 H LYS A 52 -11.689 4.946 4.659 1.00 52.41 H new ATOM 0 HA LYS A 52 -10.926 6.566 2.490 1.00 24.52 H new ATOM 0 HB2 LYS A 52 -13.664 5.819 3.578 1.00 15.33 H new ATOM 0 HB3 LYS A 52 -13.425 6.669 2.065 1.00 15.33 H new ATOM 0 HG2 LYS A 52 -12.043 4.733 1.243 1.00 43.32 H new ATOM 0 HG3 LYS A 52 -12.405 3.881 2.731 1.00 43.32 H new ATOM 0 HD2 LYS A 52 -13.942 3.114 1.017 1.00 30.14 H new ATOM 0 HD3 LYS A 52 -14.850 4.030 2.204 1.00 30.14 H new ATOM 0 HE2 LYS A 52 -15.598 4.688 -0.009 1.00 52.53 H new ATOM 0 HE3 LYS A 52 -14.746 6.039 0.712 1.00 52.53 H new ATOM 0 HZ1 LYS A 52 -13.472 6.072 -1.084 1.00 43.33 H new ATOM 0 HZ2 LYS A 52 -12.823 4.567 -0.641 1.00 43.33 H new ATOM 0 HZ3 LYS A 52 -14.162 4.641 -1.682 1.00 43.33 H new ATOM 289 N GLY A 53 -11.297 8.961 3.079 1.00 32.44 N ATOM 290 CA GLY A 53 -11.442 10.366 3.447 1.00 1.11 C ATOM 291 C GLY A 53 -10.236 10.920 4.204 1.00 62.24 C ATOM 292 O GLY A 53 -10.150 12.126 4.445 1.00 65.33 O ATOM 0 H GLY A 53 -10.701 8.794 2.268 1.00 32.44 H new ATOM 0 HA2 GLY A 53 -11.598 10.957 2.544 1.00 1.11 H new ATOM 0 HA3 GLY A 53 -12.334 10.483 4.063 1.00 1.11 H new ATOM 296 N VAL A 54 -9.299 10.050 4.584 1.00 73.14 N ATOM 297 CA VAL A 54 -8.099 10.480 5.313 1.00 43.10 C ATOM 298 C VAL A 54 -7.074 11.138 4.374 1.00 60.03 C ATOM 299 O VAL A 54 -6.636 10.537 3.387 1.00 2.21 O ATOM 300 CB VAL A 54 -7.429 9.296 6.059 1.00 12.54 C ATOM 301 CG1 VAL A 54 -6.153 9.743 6.775 1.00 44.11 C ATOM 302 CG2 VAL A 54 -8.407 8.668 7.049 1.00 1.01 C ATOM 0 H VAL A 54 -9.345 9.048 4.401 1.00 73.14 H new ATOM 0 HA VAL A 54 -8.428 11.216 6.047 1.00 43.10 H new ATOM 0 HB VAL A 54 -7.151 8.546 5.319 1.00 12.54 H new ATOM 0 HG11 VAL A 54 -5.707 8.891 7.288 1.00 44.11 H new ATOM 0 HG12 VAL A 54 -5.446 10.138 6.046 1.00 44.11 H new ATOM 0 HG13 VAL A 54 -6.396 10.518 7.502 1.00 44.11 H new ATOM 0 HG21 VAL A 54 -7.921 7.839 7.564 1.00 1.01 H new ATOM 0 HG22 VAL A 54 -8.717 9.416 7.778 1.00 1.01 H new ATOM 0 HG23 VAL A 54 -9.281 8.300 6.513 1.00 1.01 H new ATOM 312 N ARG A 55 -6.696 12.378 4.693 1.00 32.41 N ATOM 313 CA ARG A 55 -5.739 13.143 3.879 1.00 42.51 C ATOM 314 C ARG A 55 -4.294 12.645 4.067 1.00 32.34 C ATOM 315 O ARG A 55 -3.966 12.003 5.066 1.00 34.44 O ATOM 316 CB ARG A 55 -5.813 14.636 4.237 1.00 61.34 C ATOM 317 CG ARG A 55 -5.490 14.939 5.701 1.00 13.22 C ATOM 318 CD ARG A 55 -5.418 16.440 5.976 1.00 15.32 C ATOM 319 NE ARG A 55 -6.679 17.117 5.685 1.00 54.12 N ATOM 320 CZ ARG A 55 -6.858 18.408 5.770 1.00 5.14 C ATOM 321 NH1 ARG A 55 -5.890 19.196 6.108 1.00 54.31 N ATOM 322 NH2 ARG A 55 -8.013 18.913 5.498 1.00 72.03 N ATOM 0 H ARG A 55 -7.038 12.879 5.513 1.00 32.41 H new ATOM 0 HA ARG A 55 -6.014 12.996 2.835 1.00 42.51 H new ATOM 0 HB2 ARG A 55 -5.120 15.187 3.601 1.00 61.34 H new ATOM 0 HB3 ARG A 55 -6.814 15.004 4.012 1.00 61.34 H new ATOM 0 HG2 ARG A 55 -6.251 14.490 6.340 1.00 13.22 H new ATOM 0 HG3 ARG A 55 -4.539 14.477 5.965 1.00 13.22 H new ATOM 0 HD2 ARG A 55 -5.153 16.604 7.020 1.00 15.32 H new ATOM 0 HD3 ARG A 55 -4.624 16.880 5.373 1.00 15.32 H new ATOM 0 HE ARG A 55 -7.472 16.544 5.396 1.00 54.12 H new ATOM 0 HH11 ARG A 55 -4.968 18.812 6.313 1.00 54.31 H new ATOM 0 HH12 ARG A 55 -6.049 20.202 6.169 1.00 54.31 H new ATOM 0 HH21 ARG A 55 -8.782 18.305 5.218 1.00 72.03 H new ATOM 0 HH22 ARG A 55 -8.157 19.921 5.563 1.00 72.03 H new ATOM 336 N TYR A 56 -3.432 12.964 3.103 1.00 34.03 N ATOM 337 CA TYR A 56 -2.018 12.578 3.166 1.00 24.41 C ATOM 338 C TYR A 56 -1.228 13.527 4.090 1.00 12.14 C ATOM 339 O TYR A 56 -1.313 14.749 3.955 1.00 54.31 O ATOM 340 CB TYR A 56 -1.410 12.585 1.757 1.00 62.22 C ATOM 341 CG TYR A 56 -0.018 11.986 1.690 1.00 3.14 C ATOM 342 CD1 TYR A 56 0.158 10.618 1.523 1.00 63.21 C ATOM 343 CD2 TYR A 56 1.117 12.783 1.801 1.00 32.42 C ATOM 344 CE1 TYR A 56 1.421 10.062 1.473 1.00 12.54 C ATOM 345 CE2 TYR A 56 2.383 12.232 1.748 1.00 71.20 C ATOM 346 CZ TYR A 56 2.528 10.871 1.586 1.00 20.42 C ATOM 347 OH TYR A 56 3.786 10.312 1.544 1.00 71.41 O ATOM 0 H TYR A 56 -3.686 13.490 2.267 1.00 34.03 H new ATOM 0 HA TYR A 56 -1.955 11.571 3.579 1.00 24.41 H new ATOM 0 HB2 TYR A 56 -2.066 12.032 1.085 1.00 62.22 H new ATOM 0 HB3 TYR A 56 -1.372 13.612 1.392 1.00 62.22 H new ATOM 0 HD1 TYR A 56 -0.708 9.979 1.431 1.00 63.21 H new ATOM 0 HD2 TYR A 56 1.007 13.850 1.931 1.00 32.42 H new ATOM 0 HE1 TYR A 56 1.539 8.996 1.346 1.00 12.54 H new ATOM 0 HE2 TYR A 56 3.254 12.864 1.833 1.00 71.20 H new ATOM 0 HH TYR A 56 4.460 11.017 1.636 1.00 71.41 H new ATOM 357 N ARG A 57 -0.458 12.965 5.019 1.00 23.44 N ATOM 358 CA ARG A 57 0.273 13.771 6.011 1.00 43.51 C ATOM 359 C ARG A 57 1.714 13.266 6.217 1.00 33.11 C ATOM 360 O ARG A 57 1.932 12.155 6.703 1.00 53.05 O ATOM 361 CB ARG A 57 -0.490 13.755 7.342 1.00 21.25 C ATOM 362 CG ARG A 57 0.104 14.640 8.434 1.00 73.53 C ATOM 363 CD ARG A 57 -0.698 14.534 9.728 1.00 64.23 C ATOM 364 NE ARG A 57 -0.161 15.379 10.791 1.00 43.41 N ATOM 365 CZ ARG A 57 0.010 14.986 12.025 1.00 65.32 C ATOM 366 NH1 ARG A 57 -0.270 13.770 12.371 1.00 75.33 N ATOM 367 NH2 ARG A 57 0.459 15.813 12.911 1.00 53.24 N ATOM 0 H ARG A 57 -0.320 11.959 5.111 1.00 23.44 H new ATOM 0 HA ARG A 57 0.340 14.791 5.634 1.00 43.51 H new ATOM 0 HB2 ARG A 57 -1.517 14.069 7.159 1.00 21.25 H new ATOM 0 HB3 ARG A 57 -0.531 12.729 7.708 1.00 21.25 H new ATOM 0 HG2 ARG A 57 1.138 14.349 8.619 1.00 73.53 H new ATOM 0 HG3 ARG A 57 0.120 15.676 8.097 1.00 73.53 H new ATOM 0 HD2 ARG A 57 -1.733 14.814 9.534 1.00 64.23 H new ATOM 0 HD3 ARG A 57 -0.706 13.497 10.062 1.00 64.23 H new ATOM 0 HE ARG A 57 0.097 16.337 10.555 1.00 43.41 H new ATOM 0 HH11 ARG A 57 -0.627 13.112 11.678 1.00 75.33 H new ATOM 0 HH12 ARG A 57 -0.134 13.470 13.336 1.00 75.33 H new ATOM 0 HH21 ARG A 57 0.680 16.773 12.647 1.00 53.24 H new ATOM 0 HH22 ARG A 57 0.592 15.506 13.874 1.00 53.24 H new ATOM 381 N LEU A 58 2.695 14.091 5.853 1.00 74.12 N ATOM 382 CA LEU A 58 4.113 13.731 5.996 1.00 55.23 C ATOM 383 C LEU A 58 4.570 13.757 7.465 1.00 71.44 C ATOM 384 O LEU A 58 4.437 14.773 8.156 1.00 52.31 O ATOM 385 CB LEU A 58 4.989 14.680 5.162 1.00 72.22 C ATOM 386 CG LEU A 58 4.868 14.517 3.636 1.00 73.52 C ATOM 387 CD1 LEU A 58 5.650 15.610 2.908 1.00 21.13 C ATOM 388 CD2 LEU A 58 5.355 13.134 3.206 1.00 62.02 C ATOM 0 H LEU A 58 2.537 15.017 5.455 1.00 74.12 H new ATOM 0 HA LEU A 58 4.227 12.710 5.630 1.00 55.23 H new ATOM 0 HB2 LEU A 58 4.733 15.707 5.422 1.00 72.22 H new ATOM 0 HB3 LEU A 58 6.031 14.529 5.445 1.00 72.22 H new ATOM 0 HG LEU A 58 3.817 14.614 3.366 1.00 73.52 H new ATOM 0 HD11 LEU A 58 5.549 15.474 1.831 1.00 21.13 H new ATOM 0 HD12 LEU A 58 5.257 16.587 3.188 1.00 21.13 H new ATOM 0 HD13 LEU A 58 6.703 15.550 3.184 1.00 21.13 H new ATOM 0 HD21 LEU A 58 5.262 13.036 2.124 1.00 62.02 H new ATOM 0 HD22 LEU A 58 6.399 13.010 3.494 1.00 62.02 H new ATOM 0 HD23 LEU A 58 4.751 12.368 3.693 1.00 62.02 H new ATOM 400 N GLY A 59 5.106 12.632 7.936 1.00 63.43 N ATOM 401 CA GLY A 59 5.663 12.559 9.286 1.00 40.31 C ATOM 402 C GLY A 59 4.627 12.270 10.374 1.00 32.12 C ATOM 403 O GLY A 59 4.951 12.304 11.565 1.00 12.53 O ATOM 0 H GLY A 59 5.166 11.763 7.406 1.00 63.43 H new ATOM 0 HA2 GLY A 59 6.427 11.782 9.311 1.00 40.31 H new ATOM 0 HA3 GLY A 59 6.160 13.502 9.514 1.00 40.31 H new ATOM 407 N GLY A 60 3.392 11.970 9.974 1.00 32.34 N ATOM 408 CA GLY A 60 2.328 11.719 10.943 1.00 23.21 C ATOM 409 C GLY A 60 1.538 10.443 10.656 1.00 35.14 C ATOM 410 O GLY A 60 1.302 10.094 9.502 1.00 71.12 O ATOM 0 H GLY A 60 3.106 11.896 8.998 1.00 32.34 H new ATOM 0 HA2 GLY A 60 2.763 11.652 11.940 1.00 23.21 H new ATOM 0 HA3 GLY A 60 1.644 12.568 10.949 1.00 23.21 H new ATOM 414 N SER A 61 1.132 9.741 11.716 1.00 33.43 N ATOM 415 CA SER A 61 0.314 8.522 11.581 1.00 21.24 C ATOM 416 C SER A 61 -0.974 8.624 12.410 1.00 72.34 C ATOM 417 O SER A 61 -0.961 8.446 13.631 1.00 62.15 O ATOM 418 CB SER A 61 1.119 7.285 12.011 1.00 41.13 C ATOM 419 OG SER A 61 0.347 6.093 11.909 1.00 71.30 O ATOM 0 H SER A 61 1.354 9.991 12.680 1.00 33.43 H new ATOM 0 HA SER A 61 0.038 8.420 10.531 1.00 21.24 H new ATOM 0 HB2 SER A 61 2.010 7.196 11.389 1.00 41.13 H new ATOM 0 HB3 SER A 61 1.459 7.411 13.039 1.00 41.13 H new ATOM 0 HG SER A 61 0.890 5.327 12.189 1.00 71.30 H new ATOM 425 N THR A 62 -2.082 8.937 11.741 1.00 54.45 N ATOM 426 CA THR A 62 -3.389 9.071 12.404 1.00 74.25 C ATOM 427 C THR A 62 -4.520 9.211 11.380 1.00 14.24 C ATOM 428 O THR A 62 -4.276 9.448 10.199 1.00 33.01 O ATOM 429 CB THR A 62 -3.437 10.293 13.358 1.00 51.42 C ATOM 430 OG1 THR A 62 -4.742 10.402 13.955 1.00 20.30 O ATOM 431 CG2 THR A 62 -3.108 11.586 12.616 1.00 22.22 C ATOM 0 H THR A 62 -2.106 9.104 10.735 1.00 54.45 H new ATOM 0 HA THR A 62 -3.527 8.160 12.986 1.00 74.25 H new ATOM 0 HB THR A 62 -2.689 10.140 14.136 1.00 51.42 H new ATOM 0 HG1 THR A 62 -4.651 10.655 14.897 1.00 20.30 H new ATOM 0 HG21 THR A 62 -3.150 12.425 13.311 1.00 22.22 H new ATOM 0 HG22 THR A 62 -2.107 11.517 12.190 1.00 22.22 H new ATOM 0 HG23 THR A 62 -3.832 11.741 11.816 1.00 22.22 H new ATOM 439 N LYS A 63 -5.759 9.091 11.843 1.00 12.33 N ATOM 440 CA LYS A 63 -6.924 9.180 10.958 1.00 4.23 C ATOM 441 C LYS A 63 -7.181 10.635 10.519 1.00 51.45 C ATOM 442 O LYS A 63 -7.948 10.897 9.593 1.00 1.33 O ATOM 443 CB LYS A 63 -8.158 8.587 11.651 1.00 40.35 C ATOM 444 CG LYS A 63 -9.357 8.399 10.725 1.00 31.52 C ATOM 445 CD LYS A 63 -10.469 7.587 11.382 1.00 22.12 C ATOM 446 CE LYS A 63 -10.009 6.171 11.711 1.00 42.41 C ATOM 447 NZ LYS A 63 -11.105 5.347 12.279 1.00 13.51 N ATOM 0 H LYS A 63 -5.987 8.932 12.824 1.00 12.33 H new ATOM 0 HA LYS A 63 -6.718 8.600 10.058 1.00 4.23 H new ATOM 0 HB2 LYS A 63 -7.891 7.623 12.084 1.00 40.35 H new ATOM 0 HB3 LYS A 63 -8.447 9.238 12.476 1.00 40.35 H new ATOM 0 HG2 LYS A 63 -9.745 9.375 10.433 1.00 31.52 H new ATOM 0 HG3 LYS A 63 -9.034 7.898 9.812 1.00 31.52 H new ATOM 0 HD2 LYS A 63 -10.794 8.086 12.295 1.00 22.12 H new ATOM 0 HD3 LYS A 63 -11.332 7.545 10.717 1.00 22.12 H new ATOM 0 HE2 LYS A 63 -9.628 5.695 10.808 1.00 42.41 H new ATOM 0 HE3 LYS A 63 -9.183 6.214 12.421 1.00 42.41 H new ATOM 0 HZ1 LYS A 63 -10.887 4.339 12.144 1.00 13.51 H new ATOM 0 HZ2 LYS A 63 -11.200 5.548 13.295 1.00 13.51 H new ATOM 0 HZ3 LYS A 63 -11.997 5.576 11.796 1.00 13.51 H new ATOM 461 N LYS A 64 -6.524 11.584 11.189 1.00 15.14 N ATOM 462 CA LYS A 64 -6.573 12.995 10.779 1.00 73.43 C ATOM 463 C LYS A 64 -5.677 13.232 9.551 1.00 23.30 C ATOM 464 O LYS A 64 -5.777 14.256 8.876 1.00 2.42 O ATOM 465 CB LYS A 64 -6.117 13.924 11.921 1.00 2.35 C ATOM 466 CG LYS A 64 -7.019 13.931 13.158 1.00 4.43 C ATOM 467 CD LYS A 64 -6.946 12.620 13.939 1.00 54.43 C ATOM 468 CE LYS A 64 -7.726 12.691 15.245 1.00 75.04 C ATOM 469 NZ LYS A 64 -7.164 13.701 16.181 1.00 51.14 N ATOM 0 H LYS A 64 -5.953 11.405 12.015 1.00 15.14 H new ATOM 0 HA LYS A 64 -7.608 13.225 10.527 1.00 73.43 H new ATOM 0 HB2 LYS A 64 -5.112 13.632 12.226 1.00 2.35 H new ATOM 0 HB3 LYS A 64 -6.050 14.941 11.535 1.00 2.35 H new ATOM 0 HG2 LYS A 64 -6.731 14.756 13.810 1.00 4.43 H new ATOM 0 HG3 LYS A 64 -8.049 14.112 12.852 1.00 4.43 H new ATOM 0 HD2 LYS A 64 -7.339 11.810 13.325 1.00 54.43 H new ATOM 0 HD3 LYS A 64 -5.904 12.382 14.151 1.00 54.43 H new ATOM 0 HE2 LYS A 64 -8.767 12.935 15.032 1.00 75.04 H new ATOM 0 HE3 LYS A 64 -7.720 11.712 15.724 1.00 75.04 H new ATOM 0 HZ1 LYS A 64 -7.538 13.534 17.137 1.00 51.14 H new ATOM 0 HZ2 LYS A 64 -6.127 13.621 16.196 1.00 51.14 H new ATOM 0 HZ3 LYS A 64 -7.433 14.655 15.865 1.00 51.14 H new ATOM 483 N GLY A 65 -4.798 12.272 9.281 1.00 14.11 N ATOM 484 CA GLY A 65 -3.852 12.389 8.181 1.00 40.32 C ATOM 485 C GLY A 65 -2.667 11.446 8.344 1.00 33.23 C ATOM 486 O GLY A 65 -2.102 11.333 9.437 1.00 3.52 O ATOM 0 H GLY A 65 -4.723 11.404 9.811 1.00 14.11 H new ATOM 0 HA2 GLY A 65 -4.360 12.173 7.241 1.00 40.32 H new ATOM 0 HA3 GLY A 65 -3.492 13.416 8.120 1.00 40.32 H new ATOM 490 N ILE A 66 -2.278 10.774 7.265 1.00 24.34 N ATOM 491 CA ILE A 66 -1.206 9.773 7.328 1.00 73.43 C ATOM 492 C ILE A 66 -0.469 9.655 5.980 1.00 72.53 C ATOM 493 O ILE A 66 -1.028 9.982 4.929 1.00 12.53 O ATOM 494 CB ILE A 66 -1.794 8.396 7.745 1.00 52.24 C ATOM 495 CG1 ILE A 66 -0.681 7.404 8.119 1.00 31.03 C ATOM 496 CG2 ILE A 66 -2.677 7.824 6.633 1.00 74.52 C ATOM 497 CD1 ILE A 66 -1.199 6.128 8.754 1.00 31.12 C ATOM 0 H ILE A 66 -2.684 10.900 6.338 1.00 24.34 H new ATOM 0 HA ILE A 66 -0.481 10.096 8.075 1.00 73.43 H new ATOM 0 HB ILE A 66 -2.412 8.553 8.629 1.00 52.24 H new ATOM 0 HG12 ILE A 66 -0.114 7.151 7.223 1.00 31.03 H new ATOM 0 HG13 ILE A 66 0.011 7.889 8.808 1.00 31.03 H new ATOM 0 HG21 ILE A 66 -3.078 6.860 6.946 1.00 74.52 H new ATOM 0 HG22 ILE A 66 -3.499 8.511 6.432 1.00 74.52 H new ATOM 0 HG23 ILE A 66 -2.084 7.693 5.728 1.00 74.52 H new ATOM 0 HD11 ILE A 66 -0.360 5.474 8.992 1.00 31.12 H new ATOM 0 HD12 ILE A 66 -1.741 6.371 9.668 1.00 31.12 H new ATOM 0 HD13 ILE A 66 -1.868 5.621 8.059 1.00 31.12 H new ATOM 509 N ASP A 67 0.793 9.226 6.008 1.00 4.53 N ATOM 510 CA ASP A 67 1.567 9.045 4.774 1.00 2.23 C ATOM 511 C ASP A 67 1.447 7.611 4.224 1.00 72.35 C ATOM 512 O ASP A 67 0.826 6.739 4.837 1.00 75.42 O ATOM 513 CB ASP A 67 3.040 9.406 5.003 1.00 34.24 C ATOM 514 CG ASP A 67 3.725 8.473 5.983 1.00 61.41 C ATOM 515 OD1 ASP A 67 3.689 8.750 7.197 1.00 74.44 O ATOM 516 OD2 ASP A 67 4.306 7.459 5.541 1.00 40.51 O ATOM 0 H ASP A 67 1.300 8.998 6.863 1.00 4.53 H new ATOM 0 HA ASP A 67 1.148 9.720 4.027 1.00 2.23 H new ATOM 0 HB2 ASP A 67 3.569 9.378 4.050 1.00 34.24 H new ATOM 0 HB3 ASP A 67 3.106 10.429 5.374 1.00 34.24 H new ATOM 521 N CYS A 68 2.058 7.377 3.061 1.00 34.44 N ATOM 522 CA CYS A 68 2.003 6.071 2.386 1.00 53.12 C ATOM 523 C CYS A 68 2.570 4.937 3.254 1.00 51.13 C ATOM 524 O CYS A 68 1.910 3.915 3.470 1.00 15.13 O ATOM 525 CB CYS A 68 2.764 6.138 1.057 1.00 62.44 C ATOM 526 SG CYS A 68 2.854 4.564 0.177 1.00 71.25 S ATOM 0 H CYS A 68 2.602 8.079 2.560 1.00 34.44 H new ATOM 0 HA CYS A 68 0.952 5.846 2.204 1.00 53.12 H new ATOM 0 HB2 CYS A 68 2.284 6.875 0.413 1.00 62.44 H new ATOM 0 HB3 CYS A 68 3.777 6.493 1.248 1.00 62.44 H new ATOM 0 HG CYS A 68 1.665 4.221 -0.221 1.00 71.25 H new ATOM 532 N SER A 69 3.786 5.131 3.765 1.00 3.33 N ATOM 533 CA SER A 69 4.457 4.106 4.586 1.00 73.13 C ATOM 534 C SER A 69 3.678 3.836 5.881 1.00 1.34 C ATOM 535 O SER A 69 3.548 2.693 6.323 1.00 0.30 O ATOM 536 CB SER A 69 5.889 4.543 4.929 1.00 31.15 C ATOM 537 OG SER A 69 6.574 3.541 5.659 1.00 1.45 O ATOM 0 H SER A 69 4.330 5.983 3.629 1.00 3.33 H new ATOM 0 HA SER A 69 4.491 3.186 4.002 1.00 73.13 H new ATOM 0 HB2 SER A 69 6.434 4.763 4.011 1.00 31.15 H new ATOM 0 HB3 SER A 69 5.860 5.464 5.511 1.00 31.15 H new ATOM 0 HG SER A 69 7.066 3.954 6.399 1.00 1.45 H new ATOM 543 N GLY A 70 3.160 4.906 6.481 1.00 72.45 N ATOM 544 CA GLY A 70 2.350 4.780 7.685 1.00 30.22 C ATOM 545 C GLY A 70 1.047 4.016 7.451 1.00 44.03 C ATOM 546 O GLY A 70 0.642 3.193 8.275 1.00 55.23 O ATOM 0 H GLY A 70 3.287 5.864 6.153 1.00 72.45 H new ATOM 0 HA2 GLY A 70 2.930 4.271 8.455 1.00 30.22 H new ATOM 0 HA3 GLY A 70 2.118 5.775 8.066 1.00 30.22 H new ATOM 550 N PHE A 71 0.384 4.288 6.326 1.00 14.55 N ATOM 551 CA PHE A 71 -0.878 3.614 5.993 1.00 52.13 C ATOM 552 C PHE A 71 -0.693 2.095 5.849 1.00 13.40 C ATOM 553 O PHE A 71 -1.424 1.307 6.462 1.00 4.31 O ATOM 554 CB PHE A 71 -1.480 4.196 4.702 1.00 61.03 C ATOM 555 CG PHE A 71 -2.698 3.446 4.213 1.00 42.32 C ATOM 556 CD1 PHE A 71 -3.891 3.490 4.923 1.00 3.42 C ATOM 557 CD2 PHE A 71 -2.645 2.687 3.050 1.00 61.31 C ATOM 558 CE1 PHE A 71 -5.002 2.795 4.483 1.00 50.32 C ATOM 559 CE2 PHE A 71 -3.755 1.992 2.608 1.00 24.22 C ATOM 560 CZ PHE A 71 -4.934 2.045 3.324 1.00 44.04 C ATOM 0 H PHE A 71 0.696 4.967 5.631 1.00 14.55 H new ATOM 0 HA PHE A 71 -1.567 3.791 6.819 1.00 52.13 H new ATOM 0 HB2 PHE A 71 -1.750 5.238 4.874 1.00 61.03 H new ATOM 0 HB3 PHE A 71 -0.720 4.188 3.920 1.00 61.03 H new ATOM 0 HD1 PHE A 71 -3.951 4.074 5.829 1.00 3.42 H new ATOM 0 HD2 PHE A 71 -1.726 2.640 2.485 1.00 61.31 H new ATOM 0 HE1 PHE A 71 -5.923 2.838 5.045 1.00 50.32 H new ATOM 0 HE2 PHE A 71 -3.700 1.407 1.702 1.00 24.22 H new ATOM 0 HZ PHE A 71 -5.801 1.502 2.979 1.00 44.04 H new ATOM 570 N VAL A 72 0.288 1.686 5.047 1.00 23.24 N ATOM 571 CA VAL A 72 0.527 0.264 4.792 1.00 54.34 C ATOM 572 C VAL A 72 0.900 -0.491 6.086 1.00 22.04 C ATOM 573 O VAL A 72 0.351 -1.560 6.370 1.00 35.43 O ATOM 574 CB VAL A 72 1.618 0.050 3.706 1.00 2.10 C ATOM 575 CG1 VAL A 72 2.964 0.621 4.141 1.00 44.32 C ATOM 576 CG2 VAL A 72 1.745 -1.428 3.348 1.00 1.42 C ATOM 0 H VAL A 72 0.929 2.315 4.563 1.00 23.24 H new ATOM 0 HA VAL A 72 -0.409 -0.149 4.416 1.00 54.34 H new ATOM 0 HB VAL A 72 1.304 0.593 2.815 1.00 2.10 H new ATOM 0 HG11 VAL A 72 3.701 0.452 3.356 1.00 44.32 H new ATOM 0 HG12 VAL A 72 2.864 1.691 4.321 1.00 44.32 H new ATOM 0 HG13 VAL A 72 3.290 0.128 5.057 1.00 44.32 H new ATOM 0 HG21 VAL A 72 2.514 -1.553 2.586 1.00 1.42 H new ATOM 0 HG22 VAL A 72 2.019 -1.996 4.237 1.00 1.42 H new ATOM 0 HG23 VAL A 72 0.792 -1.793 2.964 1.00 1.42 H new ATOM 586 N GLN A 73 1.798 0.082 6.894 1.00 33.11 N ATOM 587 CA GLN A 73 2.246 -0.581 8.124 1.00 54.41 C ATOM 588 C GLN A 73 1.080 -0.818 9.104 1.00 53.01 C ATOM 589 O GLN A 73 0.998 -1.874 9.733 1.00 24.44 O ATOM 590 CB GLN A 73 3.364 0.221 8.814 1.00 31.05 C ATOM 591 CG GLN A 73 2.902 1.534 9.436 1.00 54.22 C ATOM 592 CD GLN A 73 4.001 2.245 10.204 1.00 14.45 C ATOM 593 OE1 GLN A 73 4.724 3.071 9.663 1.00 22.42 O ATOM 594 NE2 GLN A 73 4.133 1.926 11.476 1.00 63.32 N ATOM 0 H GLN A 73 2.225 0.992 6.722 1.00 33.11 H new ATOM 0 HA GLN A 73 2.644 -1.553 7.832 1.00 54.41 H new ATOM 0 HB2 GLN A 73 3.812 -0.398 9.591 1.00 31.05 H new ATOM 0 HB3 GLN A 73 4.146 0.433 8.085 1.00 31.05 H new ATOM 0 HG2 GLN A 73 2.532 2.192 8.650 1.00 54.22 H new ATOM 0 HG3 GLN A 73 2.066 1.337 10.107 1.00 54.22 H new ATOM 0 HE21 GLN A 73 3.513 1.233 11.895 1.00 63.32 H new ATOM 0 HE22 GLN A 73 4.855 2.372 12.041 1.00 63.32 H new ATOM 603 N ARG A 74 0.172 0.159 9.222 1.00 53.33 N ATOM 604 CA ARG A 74 -0.979 0.023 10.124 1.00 30.24 C ATOM 605 C ARG A 74 -1.950 -1.055 9.630 1.00 73.24 C ATOM 606 O ARG A 74 -2.421 -1.885 10.409 1.00 1.01 O ATOM 607 CB ARG A 74 -1.733 1.348 10.288 1.00 54.13 C ATOM 608 CG ARG A 74 -0.886 2.489 10.853 1.00 11.23 C ATOM 609 CD ARG A 74 -1.728 3.458 11.679 1.00 53.13 C ATOM 610 NE ARG A 74 -2.031 2.914 13.004 1.00 74.33 N ATOM 611 CZ ARG A 74 -3.189 2.425 13.373 1.00 51.13 C ATOM 612 NH1 ARG A 74 -4.199 2.404 12.563 1.00 53.32 N ATOM 613 NH2 ARG A 74 -3.334 1.958 14.567 1.00 0.12 N ATOM 0 H ARG A 74 0.210 1.041 8.712 1.00 53.33 H new ATOM 0 HA ARG A 74 -0.580 -0.273 11.094 1.00 30.24 H new ATOM 0 HB2 ARG A 74 -2.128 1.650 9.318 1.00 54.13 H new ATOM 0 HB3 ARG A 74 -2.588 1.187 10.944 1.00 54.13 H new ATOM 0 HG2 ARG A 74 -0.089 2.079 11.473 1.00 11.23 H new ATOM 0 HG3 ARG A 74 -0.408 3.028 10.035 1.00 11.23 H new ATOM 0 HD2 ARG A 74 -1.196 4.403 11.786 1.00 53.13 H new ATOM 0 HD3 ARG A 74 -2.658 3.673 11.152 1.00 53.13 H new ATOM 0 HE ARG A 74 -1.281 2.916 13.695 1.00 74.33 H new ATOM 0 HH11 ARG A 74 -4.102 2.773 11.617 1.00 53.32 H new ATOM 0 HH12 ARG A 74 -5.092 2.019 12.871 1.00 53.32 H new ATOM 0 HH21 ARG A 74 -2.549 1.971 15.218 1.00 0.12 H new ATOM 0 HH22 ARG A 74 -4.233 1.576 14.860 1.00 0.12 H new ATOM 627 N THR A 75 -2.240 -1.035 8.334 1.00 42.31 N ATOM 628 CA THR A 75 -3.165 -2.003 7.727 1.00 54.10 C ATOM 629 C THR A 75 -2.783 -3.451 8.073 1.00 22.32 C ATOM 630 O THR A 75 -3.629 -4.252 8.477 1.00 30.11 O ATOM 631 CB THR A 75 -3.215 -1.846 6.184 1.00 52.34 C ATOM 632 OG1 THR A 75 -3.646 -0.519 5.842 1.00 33.23 O ATOM 633 CG2 THR A 75 -4.163 -2.863 5.545 1.00 33.41 C ATOM 0 H THR A 75 -1.850 -0.360 7.676 1.00 42.31 H new ATOM 0 HA THR A 75 -4.150 -1.790 8.142 1.00 54.10 H new ATOM 0 HB THR A 75 -2.210 -2.025 5.801 1.00 52.34 H new ATOM 0 HG1 THR A 75 -2.928 0.119 6.038 1.00 33.23 H new ATOM 0 HG21 THR A 75 -4.172 -2.723 4.464 1.00 33.41 H new ATOM 0 HG22 THR A 75 -3.824 -3.873 5.777 1.00 33.41 H new ATOM 0 HG23 THR A 75 -5.169 -2.719 5.938 1.00 33.41 H new ATOM 641 N PHE A 76 -1.500 -3.775 7.936 1.00 51.53 N ATOM 642 CA PHE A 76 -1.019 -5.138 8.199 1.00 64.30 C ATOM 643 C PHE A 76 -0.968 -5.480 9.702 1.00 60.44 C ATOM 644 O PHE A 76 -1.356 -6.583 10.097 1.00 32.44 O ATOM 645 CB PHE A 76 0.352 -5.348 7.547 1.00 55.42 C ATOM 646 CG PHE A 76 0.276 -5.478 6.046 1.00 3.50 C ATOM 647 CD1 PHE A 76 0.178 -4.356 5.240 1.00 24.25 C ATOM 648 CD2 PHE A 76 0.288 -6.728 5.441 1.00 45.05 C ATOM 649 CE1 PHE A 76 0.098 -4.474 3.865 1.00 41.10 C ATOM 650 CE2 PHE A 76 0.206 -6.850 4.067 1.00 64.03 C ATOM 651 CZ PHE A 76 0.113 -5.723 3.278 1.00 21.00 C ATOM 0 H PHE A 76 -0.774 -3.120 7.646 1.00 51.53 H new ATOM 0 HA PHE A 76 -1.741 -5.822 7.754 1.00 64.30 H new ATOM 0 HB2 PHE A 76 1.001 -4.510 7.801 1.00 55.42 H new ATOM 0 HB3 PHE A 76 0.812 -6.245 7.961 1.00 55.42 H new ATOM 0 HD1 PHE A 76 0.164 -3.375 5.692 1.00 24.25 H new ATOM 0 HD2 PHE A 76 0.362 -7.616 6.052 1.00 45.05 H new ATOM 0 HE1 PHE A 76 0.024 -3.589 3.250 1.00 41.10 H new ATOM 0 HE2 PHE A 76 0.215 -7.829 3.611 1.00 64.03 H new ATOM 0 HZ PHE A 76 0.052 -5.817 2.204 1.00 21.00 H new ATOM 661 N ARG A 77 -0.502 -4.550 10.541 1.00 73.23 N ATOM 662 CA ARG A 77 -0.410 -4.807 11.992 1.00 73.02 C ATOM 663 C ARG A 77 -1.795 -4.967 12.639 1.00 4.51 C ATOM 664 O ARG A 77 -1.964 -5.741 13.579 1.00 24.04 O ATOM 665 CB ARG A 77 0.361 -3.687 12.714 1.00 3.54 C ATOM 666 CG ARG A 77 -0.276 -2.306 12.584 1.00 31.02 C ATOM 667 CD ARG A 77 0.227 -1.329 13.644 1.00 10.32 C ATOM 668 NE ARG A 77 -0.339 -1.613 14.961 1.00 61.33 N ATOM 669 CZ ARG A 77 0.016 -1.013 16.063 1.00 13.43 C ATOM 670 NH1 ARG A 77 0.943 -0.108 16.058 1.00 5.23 N ATOM 671 NH2 ARG A 77 -0.557 -1.321 17.179 1.00 34.22 N ATOM 0 H ARG A 77 -0.186 -3.624 10.252 1.00 73.23 H new ATOM 0 HA ARG A 77 0.134 -5.745 12.101 1.00 73.02 H new ATOM 0 HB2 ARG A 77 0.442 -3.940 13.771 1.00 3.54 H new ATOM 0 HB3 ARG A 77 1.376 -3.646 12.318 1.00 3.54 H new ATOM 0 HG2 ARG A 77 -0.064 -1.903 11.593 1.00 31.02 H new ATOM 0 HG3 ARG A 77 -1.359 -2.400 12.665 1.00 31.02 H new ATOM 0 HD2 ARG A 77 1.314 -1.380 13.698 1.00 10.32 H new ATOM 0 HD3 ARG A 77 -0.030 -0.311 13.350 1.00 10.32 H new ATOM 0 HE ARG A 77 -1.062 -2.330 15.023 1.00 61.33 H new ATOM 0 HH11 ARG A 77 1.405 0.144 15.184 1.00 5.23 H new ATOM 0 HH12 ARG A 77 1.210 0.353 16.928 1.00 5.23 H new ATOM 0 HH21 ARG A 77 -1.287 -2.033 17.198 1.00 34.22 H new ATOM 0 HH22 ARG A 77 -0.280 -0.852 18.041 1.00 34.22 H new ATOM 685 N GLU A 78 -2.777 -4.228 12.134 1.00 74.33 N ATOM 686 CA GLU A 78 -4.133 -4.258 12.694 1.00 61.21 C ATOM 687 C GLU A 78 -4.941 -5.462 12.190 1.00 75.35 C ATOM 688 O GLU A 78 -5.694 -6.078 12.947 1.00 0.22 O ATOM 689 CB GLU A 78 -4.865 -2.947 12.367 1.00 44.11 C ATOM 690 CG GLU A 78 -4.246 -1.720 13.032 1.00 4.20 C ATOM 691 CD GLU A 78 -4.267 -1.806 14.552 1.00 41.55 C ATOM 692 OE1 GLU A 78 -5.315 -1.470 15.150 1.00 24.12 O ATOM 693 OE2 GLU A 78 -3.254 -2.223 15.153 1.00 21.22 O ATOM 0 H GLU A 78 -2.664 -3.600 11.338 1.00 74.33 H new ATOM 0 HA GLU A 78 -4.041 -4.363 13.775 1.00 61.21 H new ATOM 0 HB2 GLU A 78 -4.868 -2.802 11.287 1.00 44.11 H new ATOM 0 HB3 GLU A 78 -5.906 -3.034 12.680 1.00 44.11 H new ATOM 0 HG2 GLU A 78 -3.216 -1.607 12.692 1.00 4.20 H new ATOM 0 HG3 GLU A 78 -4.786 -0.828 12.715 1.00 4.20 H new ATOM 700 N GLN A 79 -4.784 -5.795 10.910 1.00 42.53 N ATOM 701 CA GLN A 79 -5.507 -6.923 10.315 1.00 13.13 C ATOM 702 C GLN A 79 -4.765 -8.261 10.500 1.00 33.03 C ATOM 703 O GLN A 79 -5.265 -9.178 11.159 1.00 42.11 O ATOM 704 CB GLN A 79 -5.747 -6.664 8.820 1.00 22.23 C ATOM 705 CG GLN A 79 -6.780 -5.577 8.536 1.00 32.13 C ATOM 706 CD GLN A 79 -8.152 -5.927 9.090 1.00 2.23 C ATOM 707 OE1 GLN A 79 -8.497 -7.091 9.226 1.00 12.05 O ATOM 708 NE2 GLN A 79 -8.950 -4.927 9.398 1.00 41.03 N ATOM 0 H GLN A 79 -4.165 -5.303 10.265 1.00 42.53 H new ATOM 0 HA GLN A 79 -6.461 -7.004 10.836 1.00 13.13 H new ATOM 0 HB2 GLN A 79 -4.802 -6.384 8.354 1.00 22.23 H new ATOM 0 HB3 GLN A 79 -6.072 -7.592 8.349 1.00 22.23 H new ATOM 0 HG2 GLN A 79 -6.444 -4.636 8.972 1.00 32.13 H new ATOM 0 HG3 GLN A 79 -6.854 -5.421 7.460 1.00 32.13 H new ATOM 0 HE21 GLN A 79 -8.634 -3.965 9.274 1.00 41.03 H new ATOM 0 HE22 GLN A 79 -9.885 -5.114 9.761 1.00 41.03 H new ATOM 717 N PHE A 80 -3.576 -8.366 9.916 1.00 54.14 N ATOM 718 CA PHE A 80 -2.818 -9.624 9.908 1.00 74.01 C ATOM 719 C PHE A 80 -1.877 -9.738 11.119 1.00 12.24 C ATOM 720 O PHE A 80 -1.266 -10.785 11.345 1.00 42.12 O ATOM 721 CB PHE A 80 -2.016 -9.729 8.604 1.00 72.34 C ATOM 722 CG PHE A 80 -2.870 -9.546 7.373 1.00 25.11 C ATOM 723 CD1 PHE A 80 -3.659 -10.583 6.898 1.00 52.15 C ATOM 724 CD2 PHE A 80 -2.892 -8.331 6.698 1.00 4.40 C ATOM 725 CE1 PHE A 80 -4.448 -10.416 5.776 1.00 44.13 C ATOM 726 CE2 PHE A 80 -3.680 -8.160 5.576 1.00 65.40 C ATOM 727 CZ PHE A 80 -4.458 -9.203 5.115 1.00 32.15 C ATOM 0 H PHE A 80 -3.110 -7.594 9.439 1.00 54.14 H new ATOM 0 HA PHE A 80 -3.530 -10.446 9.974 1.00 74.01 H new ATOM 0 HB2 PHE A 80 -1.227 -8.977 8.607 1.00 72.34 H new ATOM 0 HB3 PHE A 80 -1.529 -10.703 8.560 1.00 72.34 H new ATOM 0 HD1 PHE A 80 -3.657 -11.533 7.412 1.00 52.15 H new ATOM 0 HD2 PHE A 80 -2.286 -7.511 7.055 1.00 4.40 H new ATOM 0 HE1 PHE A 80 -5.056 -11.233 5.416 1.00 44.13 H new ATOM 0 HE2 PHE A 80 -3.687 -7.211 5.060 1.00 65.40 H new ATOM 0 HZ PHE A 80 -5.074 -9.071 4.238 1.00 32.15 H new ATOM 737 N GLY A 81 -1.763 -8.661 11.893 1.00 1.13 N ATOM 738 CA GLY A 81 -0.850 -8.643 13.031 1.00 65.21 C ATOM 739 C GLY A 81 0.607 -8.504 12.608 1.00 44.51 C ATOM 740 O GLY A 81 1.518 -8.655 13.424 1.00 1.13 O ATOM 0 H GLY A 81 -2.287 -7.797 11.754 1.00 1.13 H new ATOM 0 HA2 GLY A 81 -1.114 -7.817 13.691 1.00 65.21 H new ATOM 0 HA3 GLY A 81 -0.972 -9.561 13.605 1.00 65.21 H new ATOM 744 N LEU A 82 0.824 -8.212 11.327 1.00 15.55 N ATOM 745 CA LEU A 82 2.174 -8.084 10.775 1.00 70.14 C ATOM 746 C LEU A 82 2.736 -6.678 11.033 1.00 73.35 C ATOM 747 O LEU A 82 2.258 -5.687 10.473 1.00 62.01 O ATOM 748 CB LEU A 82 2.161 -8.379 9.271 1.00 25.43 C ATOM 749 CG LEU A 82 3.542 -8.406 8.595 1.00 24.24 C ATOM 750 CD1 LEU A 82 4.369 -9.589 9.091 1.00 55.33 C ATOM 751 CD2 LEU A 82 3.396 -8.447 7.081 1.00 23.14 C ATOM 0 H LEU A 82 0.079 -8.059 10.648 1.00 15.55 H new ATOM 0 HA LEU A 82 2.818 -8.809 11.273 1.00 70.14 H new ATOM 0 HB2 LEU A 82 1.677 -9.343 9.111 1.00 25.43 H new ATOM 0 HB3 LEU A 82 1.547 -7.627 8.775 1.00 25.43 H new ATOM 0 HG LEU A 82 4.069 -7.491 8.864 1.00 24.24 H new ATOM 0 HD11 LEU A 82 5.341 -9.586 8.598 1.00 55.33 H new ATOM 0 HD12 LEU A 82 4.509 -9.509 10.169 1.00 55.33 H new ATOM 0 HD13 LEU A 82 3.849 -10.519 8.861 1.00 55.33 H new ATOM 0 HD21 LEU A 82 4.384 -8.466 6.621 1.00 23.14 H new ATOM 0 HD22 LEU A 82 2.844 -9.342 6.793 1.00 23.14 H new ATOM 0 HD23 LEU A 82 2.855 -7.563 6.744 1.00 23.14 H new ATOM 763 N GLU A 83 3.758 -6.601 11.873 1.00 34.02 N ATOM 764 CA GLU A 83 4.307 -5.317 12.313 1.00 41.14 C ATOM 765 C GLU A 83 5.355 -4.787 11.326 1.00 45.35 C ATOM 766 O GLU A 83 6.536 -5.130 11.409 1.00 50.12 O ATOM 767 CB GLU A 83 4.918 -5.464 13.714 1.00 4.41 C ATOM 768 CG GLU A 83 3.946 -6.034 14.743 1.00 52.32 C ATOM 769 CD GLU A 83 4.585 -6.255 16.107 1.00 10.21 C ATOM 770 OE1 GLU A 83 5.500 -7.100 16.211 1.00 31.11 O ATOM 771 OE2 GLU A 83 4.167 -5.597 17.086 1.00 71.20 O ATOM 0 H GLU A 83 4.229 -7.415 12.268 1.00 34.02 H new ATOM 0 HA GLU A 83 3.493 -4.594 12.349 1.00 41.14 H new ATOM 0 HB2 GLU A 83 5.793 -6.111 13.654 1.00 4.41 H new ATOM 0 HB3 GLU A 83 5.265 -4.489 14.055 1.00 4.41 H new ATOM 0 HG2 GLU A 83 3.100 -5.355 14.850 1.00 52.32 H new ATOM 0 HG3 GLU A 83 3.551 -6.981 14.376 1.00 52.32 H new ATOM 778 N LEU A 84 4.916 -3.972 10.372 1.00 12.54 N ATOM 779 CA LEU A 84 5.829 -3.363 9.401 1.00 25.44 C ATOM 780 C LEU A 84 6.526 -2.126 9.994 1.00 53.33 C ATOM 781 O LEU A 84 5.939 -1.394 10.799 1.00 35.31 O ATOM 782 CB LEU A 84 5.071 -2.984 8.119 1.00 35.40 C ATOM 783 CG LEU A 84 4.449 -4.165 7.354 1.00 73.10 C ATOM 784 CD1 LEU A 84 3.705 -3.678 6.112 1.00 22.23 C ATOM 785 CD2 LEU A 84 5.516 -5.195 6.981 1.00 64.13 C ATOM 0 H LEU A 84 3.936 -3.716 10.248 1.00 12.54 H new ATOM 0 HA LEU A 84 6.596 -4.097 9.154 1.00 25.44 H new ATOM 0 HB2 LEU A 84 4.279 -2.282 8.378 1.00 35.40 H new ATOM 0 HB3 LEU A 84 5.756 -2.460 7.452 1.00 35.40 H new ATOM 0 HG LEU A 84 3.727 -4.650 8.011 1.00 73.10 H new ATOM 0 HD11 LEU A 84 3.274 -4.531 5.588 1.00 22.23 H new ATOM 0 HD12 LEU A 84 2.909 -2.995 6.409 1.00 22.23 H new ATOM 0 HD13 LEU A 84 4.400 -3.160 5.451 1.00 22.23 H new ATOM 0 HD21 LEU A 84 5.052 -6.020 6.441 1.00 64.13 H new ATOM 0 HD22 LEU A 84 6.269 -4.726 6.349 1.00 64.13 H new ATOM 0 HD23 LEU A 84 5.988 -5.574 7.887 1.00 64.13 H new ATOM 797 N PRO A 85 7.796 -1.881 9.606 1.00 22.32 N ATOM 798 CA PRO A 85 8.580 -0.742 10.121 1.00 63.23 C ATOM 799 C PRO A 85 8.049 0.632 9.666 1.00 54.22 C ATOM 800 O PRO A 85 7.008 0.730 9.014 1.00 62.10 O ATOM 801 CB PRO A 85 9.988 -1.000 9.567 1.00 13.21 C ATOM 802 CG PRO A 85 9.768 -1.832 8.350 1.00 73.44 C ATOM 803 CD PRO A 85 8.574 -2.697 8.654 1.00 30.11 C ATOM 0 HA PRO A 85 8.535 -0.689 11.209 1.00 63.23 H new ATOM 0 HB2 PRO A 85 10.495 -0.066 9.322 1.00 13.21 H new ATOM 0 HB3 PRO A 85 10.611 -1.520 10.295 1.00 13.21 H new ATOM 0 HG2 PRO A 85 9.585 -1.206 7.476 1.00 73.44 H new ATOM 0 HG3 PRO A 85 10.645 -2.440 8.128 1.00 73.44 H new ATOM 0 HD2 PRO A 85 8.001 -2.921 7.755 1.00 30.11 H new ATOM 0 HD3 PRO A 85 8.869 -3.651 9.090 1.00 30.11 H new ATOM 811 N ARG A 86 8.800 1.685 9.985 1.00 40.03 N ATOM 812 CA ARG A 86 8.333 3.069 9.806 1.00 64.42 C ATOM 813 C ARG A 86 8.793 3.678 8.467 1.00 52.01 C ATOM 814 O ARG A 86 8.080 4.491 7.873 1.00 75.44 O ATOM 815 CB ARG A 86 8.805 3.956 10.977 1.00 24.31 C ATOM 816 CG ARG A 86 10.301 3.845 11.285 1.00 25.23 C ATOM 817 CD ARG A 86 10.617 2.688 12.236 1.00 2.23 C ATOM 818 NE ARG A 86 11.990 2.208 12.078 1.00 51.31 N ATOM 819 CZ ARG A 86 12.679 1.616 13.016 1.00 63.24 C ATOM 820 NH1 ARG A 86 12.177 1.436 14.196 1.00 63.53 N ATOM 821 NH2 ARG A 86 13.871 1.188 12.757 1.00 42.23 N ATOM 0 H ARG A 86 9.741 1.610 10.371 1.00 40.03 H new ATOM 0 HA ARG A 86 7.244 3.034 9.792 1.00 64.42 H new ATOM 0 HB2 ARG A 86 8.569 4.995 10.749 1.00 24.31 H new ATOM 0 HB3 ARG A 86 8.241 3.689 11.871 1.00 24.31 H new ATOM 0 HG2 ARG A 86 10.851 3.707 10.354 1.00 25.23 H new ATOM 0 HG3 ARG A 86 10.649 4.779 11.726 1.00 25.23 H new ATOM 0 HD2 ARG A 86 10.462 3.012 13.265 1.00 2.23 H new ATOM 0 HD3 ARG A 86 9.923 1.868 12.052 1.00 2.23 H new ATOM 0 HE ARG A 86 12.440 2.345 11.173 1.00 51.31 H new ATOM 0 HH11 ARG A 86 11.232 1.758 14.403 1.00 63.53 H new ATOM 0 HH12 ARG A 86 12.727 0.972 14.919 1.00 63.53 H new ATOM 0 HH21 ARG A 86 14.267 1.314 11.825 1.00 42.23 H new ATOM 0 HH22 ARG A 86 14.416 0.725 13.484 1.00 42.23 H new ATOM 835 N SER A 87 9.988 3.311 8.007 1.00 34.32 N ATOM 836 CA SER A 87 10.516 3.822 6.729 1.00 53.51 C ATOM 837 C SER A 87 10.239 2.839 5.585 1.00 11.41 C ATOM 838 O SER A 87 10.433 1.630 5.734 1.00 20.25 O ATOM 839 CB SER A 87 12.030 4.076 6.824 1.00 70.14 C ATOM 840 OG SER A 87 12.341 5.057 7.805 1.00 32.42 O ATOM 0 H SER A 87 10.611 2.665 8.492 1.00 34.32 H new ATOM 0 HA SER A 87 10.006 4.763 6.520 1.00 53.51 H new ATOM 0 HB2 SER A 87 12.540 3.144 7.068 1.00 70.14 H new ATOM 0 HB3 SER A 87 12.406 4.401 5.854 1.00 70.14 H new ATOM 0 HG SER A 87 13.311 5.190 7.838 1.00 32.42 H new ATOM 846 N THR A 88 9.807 3.360 4.436 1.00 44.13 N ATOM 847 CA THR A 88 9.493 2.521 3.268 1.00 65.54 C ATOM 848 C THR A 88 10.690 1.657 2.847 1.00 61.55 C ATOM 849 O THR A 88 10.524 0.495 2.486 1.00 4.42 O ATOM 850 CB THR A 88 9.024 3.369 2.060 1.00 61.02 C ATOM 851 OG1 THR A 88 7.878 4.153 2.430 1.00 45.21 O ATOM 852 CG2 THR A 88 8.670 2.489 0.863 1.00 13.43 C ATOM 0 H THR A 88 9.665 4.359 4.284 1.00 44.13 H new ATOM 0 HA THR A 88 8.678 1.866 3.576 1.00 65.54 H new ATOM 0 HB THR A 88 9.847 4.024 1.773 1.00 61.02 H new ATOM 0 HG1 THR A 88 7.587 4.689 1.663 1.00 45.21 H new ATOM 0 HG21 THR A 88 8.345 3.117 0.033 1.00 13.43 H new ATOM 0 HG22 THR A 88 9.546 1.915 0.562 1.00 13.43 H new ATOM 0 HG23 THR A 88 7.866 1.807 1.138 1.00 13.43 H new ATOM 860 N TYR A 89 11.897 2.224 2.904 1.00 34.02 N ATOM 861 CA TYR A 89 13.120 1.459 2.611 1.00 31.44 C ATOM 862 C TYR A 89 13.220 0.209 3.499 1.00 73.23 C ATOM 863 O TYR A 89 13.500 -0.888 3.017 1.00 33.54 O ATOM 864 CB TYR A 89 14.368 2.335 2.798 1.00 34.25 C ATOM 865 CG TYR A 89 14.492 3.447 1.771 1.00 41.50 C ATOM 866 CD1 TYR A 89 13.860 4.671 1.959 1.00 51.40 C ATOM 867 CD2 TYR A 89 15.241 3.268 0.610 1.00 31.30 C ATOM 868 CE1 TYR A 89 13.969 5.681 1.025 1.00 61.23 C ATOM 869 CE2 TYR A 89 15.355 4.275 -0.329 1.00 35.52 C ATOM 870 CZ TYR A 89 14.717 5.480 -0.116 1.00 44.32 C ATOM 871 OH TYR A 89 14.822 6.488 -1.051 1.00 44.30 O ATOM 0 H TYR A 89 12.058 3.201 3.148 1.00 34.02 H new ATOM 0 HA TYR A 89 13.066 1.139 1.570 1.00 31.44 H new ATOM 0 HB2 TYR A 89 14.347 2.774 3.795 1.00 34.25 H new ATOM 0 HB3 TYR A 89 15.255 1.704 2.746 1.00 34.25 H new ATOM 0 HD1 TYR A 89 13.274 4.834 2.851 1.00 51.40 H new ATOM 0 HD2 TYR A 89 15.741 2.326 0.441 1.00 31.30 H new ATOM 0 HE1 TYR A 89 13.470 6.625 1.187 1.00 61.23 H new ATOM 0 HE2 TYR A 89 15.940 4.120 -1.224 1.00 35.52 H new ATOM 0 HH TYR A 89 15.385 6.187 -1.795 1.00 44.30 H new ATOM 881 N GLU A 90 12.963 0.383 4.798 1.00 13.34 N ATOM 882 CA GLU A 90 12.936 -0.744 5.736 1.00 73.41 C ATOM 883 C GLU A 90 11.869 -1.771 5.318 1.00 60.20 C ATOM 884 O GLU A 90 12.076 -2.978 5.424 1.00 42.22 O ATOM 885 CB GLU A 90 12.644 -0.250 7.162 1.00 41.23 C ATOM 886 CG GLU A 90 13.621 0.797 7.687 1.00 53.21 C ATOM 887 CD GLU A 90 13.256 1.285 9.086 1.00 61.55 C ATOM 888 OE1 GLU A 90 12.137 1.813 9.264 1.00 20.31 O ATOM 889 OE2 GLU A 90 14.085 1.154 10.015 1.00 31.02 O ATOM 0 H GLU A 90 12.771 1.290 5.224 1.00 13.34 H new ATOM 0 HA GLU A 90 13.915 -1.222 5.717 1.00 73.41 H new ATOM 0 HB2 GLU A 90 11.637 0.167 7.188 1.00 41.23 H new ATOM 0 HB3 GLU A 90 12.652 -1.106 7.837 1.00 41.23 H new ATOM 0 HG2 GLU A 90 14.626 0.376 7.703 1.00 53.21 H new ATOM 0 HG3 GLU A 90 13.642 1.646 7.003 1.00 53.21 H new ATOM 896 N GLN A 91 10.726 -1.273 4.835 1.00 61.14 N ATOM 897 CA GLN A 91 9.627 -2.133 4.374 1.00 54.54 C ATOM 898 C GLN A 91 10.020 -2.903 3.096 1.00 44.25 C ATOM 899 O GLN A 91 9.636 -4.061 2.912 1.00 12.32 O ATOM 900 CB GLN A 91 8.365 -1.287 4.132 1.00 14.52 C ATOM 901 CG GLN A 91 7.934 -0.474 5.353 1.00 60.11 C ATOM 902 CD GLN A 91 6.734 0.421 5.085 1.00 11.23 C ATOM 903 OE1 GLN A 91 6.505 0.857 3.962 1.00 61.22 O ATOM 904 NE2 GLN A 91 5.975 0.725 6.120 1.00 12.31 N ATOM 0 H GLN A 91 10.536 -0.274 4.752 1.00 61.14 H new ATOM 0 HA GLN A 91 9.416 -2.868 5.151 1.00 54.54 H new ATOM 0 HB2 GLN A 91 8.546 -0.608 3.299 1.00 14.52 H new ATOM 0 HB3 GLN A 91 7.548 -1.944 3.836 1.00 14.52 H new ATOM 0 HG2 GLN A 91 7.695 -1.156 6.169 1.00 60.11 H new ATOM 0 HG3 GLN A 91 8.770 0.141 5.685 1.00 60.11 H new ATOM 0 HE21 GLN A 91 6.193 0.345 7.041 1.00 12.31 H new ATOM 0 HE22 GLN A 91 5.170 1.340 5.999 1.00 12.31 H new ATOM 913 N GLN A 92 10.803 -2.254 2.229 1.00 41.30 N ATOM 914 CA GLN A 92 11.333 -2.899 1.017 1.00 3.24 C ATOM 915 C GLN A 92 12.243 -4.081 1.387 1.00 3.43 C ATOM 916 O GLN A 92 12.244 -5.122 0.726 1.00 23.42 O ATOM 917 CB GLN A 92 12.132 -1.888 0.172 1.00 0.44 C ATOM 918 CG GLN A 92 11.328 -0.672 -0.287 1.00 52.00 C ATOM 919 CD GLN A 92 12.145 0.309 -1.123 1.00 22.42 C ATOM 920 OE1 GLN A 92 11.625 0.977 -2.012 1.00 51.23 O ATOM 921 NE2 GLN A 92 13.429 0.418 -0.838 1.00 42.51 N ATOM 0 H GLN A 92 11.086 -1.281 2.342 1.00 41.30 H new ATOM 0 HA GLN A 92 10.487 -3.266 0.435 1.00 3.24 H new ATOM 0 HB2 GLN A 92 12.988 -1.544 0.753 1.00 0.44 H new ATOM 0 HB3 GLN A 92 12.527 -2.399 -0.706 1.00 0.44 H new ATOM 0 HG2 GLN A 92 10.471 -1.010 -0.870 1.00 52.00 H new ATOM 0 HG3 GLN A 92 10.934 -0.154 0.587 1.00 52.00 H new ATOM 0 HE21 GLN A 92 13.836 -0.149 -0.094 1.00 42.51 H new ATOM 0 HE22 GLN A 92 14.014 1.069 -1.361 1.00 42.51 H new ATOM 930 N GLU A 93 13.007 -3.904 2.462 1.00 11.32 N ATOM 931 CA GLU A 93 13.975 -4.905 2.923 1.00 72.20 C ATOM 932 C GLU A 93 13.342 -5.951 3.864 1.00 50.42 C ATOM 933 O GLU A 93 14.052 -6.729 4.508 1.00 55.02 O ATOM 934 CB GLU A 93 15.143 -4.189 3.620 1.00 53.12 C ATOM 935 CG GLU A 93 15.938 -3.285 2.681 1.00 2.11 C ATOM 936 CD GLU A 93 16.927 -2.378 3.398 1.00 20.03 C ATOM 937 OE1 GLU A 93 17.670 -2.865 4.276 1.00 1.11 O ATOM 938 OE2 GLU A 93 16.989 -1.176 3.064 1.00 45.34 O ATOM 0 H GLU A 93 12.975 -3.064 3.040 1.00 11.32 H new ATOM 0 HA GLU A 93 14.336 -5.452 2.052 1.00 72.20 H new ATOM 0 HB2 GLU A 93 14.755 -3.593 4.446 1.00 53.12 H new ATOM 0 HB3 GLU A 93 15.812 -4.933 4.051 1.00 53.12 H new ATOM 0 HG2 GLU A 93 16.479 -3.905 1.966 1.00 2.11 H new ATOM 0 HG3 GLU A 93 15.244 -2.670 2.108 1.00 2.11 H new ATOM 945 N MET A 94 12.009 -5.985 3.926 1.00 21.40 N ATOM 946 CA MET A 94 11.292 -6.968 4.753 1.00 22.25 C ATOM 947 C MET A 94 11.095 -8.304 4.015 1.00 52.51 C ATOM 948 O MET A 94 11.614 -9.342 4.438 1.00 52.51 O ATOM 949 CB MET A 94 9.925 -6.412 5.185 1.00 12.43 C ATOM 950 CG MET A 94 10.007 -5.272 6.191 1.00 33.11 C ATOM 951 SD MET A 94 10.613 -5.804 7.806 1.00 2.42 S ATOM 952 CE MET A 94 9.329 -6.953 8.304 1.00 43.24 C ATOM 0 H MET A 94 11.401 -5.345 3.415 1.00 21.40 H new ATOM 0 HA MET A 94 11.906 -7.155 5.634 1.00 22.25 H new ATOM 0 HB2 MET A 94 9.390 -6.064 4.301 1.00 12.43 H new ATOM 0 HB3 MET A 94 9.336 -7.221 5.616 1.00 12.43 H new ATOM 0 HG2 MET A 94 10.664 -4.495 5.800 1.00 33.11 H new ATOM 0 HG3 MET A 94 9.020 -4.825 6.308 1.00 33.11 H new ATOM 0 HE1 MET A 94 9.339 -7.062 9.389 1.00 43.24 H new ATOM 0 HE2 MET A 94 8.358 -6.574 7.986 1.00 43.24 H new ATOM 0 HE3 MET A 94 9.509 -7.923 7.840 1.00 43.24 H new ATOM 962 N GLY A 95 10.356 -8.270 2.905 1.00 42.25 N ATOM 963 CA GLY A 95 9.999 -9.497 2.193 1.00 62.13 C ATOM 964 C GLY A 95 10.713 -9.666 0.851 1.00 43.12 C ATOM 965 O GLY A 95 11.576 -8.864 0.483 1.00 24.13 O ATOM 0 H GLY A 95 9.996 -7.414 2.483 1.00 42.25 H new ATOM 0 HA2 GLY A 95 10.230 -10.353 2.827 1.00 62.13 H new ATOM 0 HA3 GLY A 95 8.922 -9.507 2.024 1.00 62.13 H new ATOM 969 N LYS A 96 10.336 -10.711 0.116 1.00 60.20 N ATOM 970 CA LYS A 96 10.965 -11.033 -1.175 1.00 20.22 C ATOM 971 C LYS A 96 10.347 -10.227 -2.329 1.00 45.32 C ATOM 972 O LYS A 96 9.222 -9.728 -2.227 1.00 54.14 O ATOM 973 CB LYS A 96 10.842 -12.537 -1.461 1.00 2.33 C ATOM 974 CG LYS A 96 11.554 -13.424 -0.443 1.00 34.41 C ATOM 975 CD LYS A 96 13.059 -13.163 -0.414 1.00 74.40 C ATOM 976 CE LYS A 96 13.772 -14.063 0.588 1.00 2.53 C ATOM 977 NZ LYS A 96 15.233 -13.796 0.626 1.00 30.42 N ATOM 0 H LYS A 96 9.594 -11.356 0.390 1.00 60.20 H new ATOM 0 HA LYS A 96 12.018 -10.760 -1.106 1.00 20.22 H new ATOM 0 HB2 LYS A 96 9.786 -12.806 -1.486 1.00 2.33 H new ATOM 0 HB3 LYS A 96 11.247 -12.742 -2.452 1.00 2.33 H new ATOM 0 HG2 LYS A 96 11.136 -13.247 0.548 1.00 34.41 H new ATOM 0 HG3 LYS A 96 11.372 -14.471 -0.684 1.00 34.41 H new ATOM 0 HD2 LYS A 96 13.475 -13.326 -1.408 1.00 74.40 H new ATOM 0 HD3 LYS A 96 13.242 -12.119 -0.159 1.00 74.40 H new ATOM 0 HE2 LYS A 96 13.348 -13.909 1.580 1.00 2.53 H new ATOM 0 HE3 LYS A 96 13.600 -15.107 0.326 1.00 2.53 H new ATOM 0 HZ1 LYS A 96 15.683 -14.427 1.319 1.00 30.42 H new ATOM 0 HZ2 LYS A 96 15.642 -13.967 -0.315 1.00 30.42 H new ATOM 0 HZ3 LYS A 96 15.398 -12.807 0.901 1.00 30.42 H new ATOM 991 N SER A 97 11.089 -10.119 -3.431 1.00 4.32 N ATOM 992 CA SER A 97 10.661 -9.320 -4.586 1.00 72.32 C ATOM 993 C SER A 97 9.871 -10.150 -5.610 1.00 74.54 C ATOM 994 O SER A 97 10.070 -11.359 -5.747 1.00 54.51 O ATOM 995 CB SER A 97 11.881 -8.680 -5.264 1.00 1.13 C ATOM 996 OG SER A 97 12.831 -9.661 -5.645 1.00 45.53 O ATOM 0 H SER A 97 11.993 -10.576 -3.551 1.00 4.32 H new ATOM 0 HA SER A 97 9.995 -8.543 -4.212 1.00 72.32 H new ATOM 0 HB2 SER A 97 11.560 -8.121 -6.143 1.00 1.13 H new ATOM 0 HB3 SER A 97 12.345 -7.966 -4.584 1.00 1.13 H new ATOM 0 HG SER A 97 13.596 -9.226 -6.076 1.00 45.53 H new ATOM 1002 N VAL A 98 8.964 -9.481 -6.319 1.00 2.23 N ATOM 1003 CA VAL A 98 8.163 -10.109 -7.379 1.00 64.23 C ATOM 1004 C VAL A 98 8.024 -9.186 -8.598 1.00 14.24 C ATOM 1005 O VAL A 98 8.378 -8.007 -8.547 1.00 74.52 O ATOM 1006 CB VAL A 98 6.742 -10.499 -6.880 1.00 72.14 C ATOM 1007 CG1 VAL A 98 6.765 -11.828 -6.134 1.00 70.03 C ATOM 1008 CG2 VAL A 98 6.161 -9.395 -5.998 1.00 63.14 C ATOM 0 H VAL A 98 8.761 -8.491 -6.179 1.00 2.23 H new ATOM 0 HA VAL A 98 8.697 -11.014 -7.668 1.00 64.23 H new ATOM 0 HB VAL A 98 6.100 -10.618 -7.753 1.00 72.14 H new ATOM 0 HG11 VAL A 98 5.758 -12.074 -5.798 1.00 70.03 H new ATOM 0 HG12 VAL A 98 7.127 -12.612 -6.799 1.00 70.03 H new ATOM 0 HG13 VAL A 98 7.427 -11.750 -5.271 1.00 70.03 H new ATOM 0 HG21 VAL A 98 5.167 -9.686 -5.659 1.00 63.14 H new ATOM 0 HG22 VAL A 98 6.808 -9.240 -5.135 1.00 63.14 H new ATOM 0 HG23 VAL A 98 6.093 -8.470 -6.571 1.00 63.14 H new ATOM 1018 N SER A 99 7.513 -9.737 -9.697 1.00 72.32 N ATOM 1019 CA SER A 99 7.297 -8.964 -10.932 1.00 13.43 C ATOM 1020 C SER A 99 5.806 -8.901 -11.303 1.00 41.35 C ATOM 1021 O SER A 99 4.963 -9.482 -10.620 1.00 25.01 O ATOM 1022 CB SER A 99 8.102 -9.572 -12.088 1.00 33.42 C ATOM 1023 OG SER A 99 7.904 -8.846 -13.290 1.00 30.15 O ATOM 0 H SER A 99 7.238 -10.717 -9.764 1.00 72.32 H new ATOM 0 HA SER A 99 7.642 -7.946 -10.751 1.00 13.43 H new ATOM 0 HB2 SER A 99 9.162 -9.576 -11.833 1.00 33.42 H new ATOM 0 HB3 SER A 99 7.805 -10.610 -12.234 1.00 33.42 H new ATOM 0 HG SER A 99 8.116 -7.901 -13.140 1.00 30.15 H new ATOM 1029 N ARG A 100 5.504 -8.227 -12.413 1.00 52.41 N ATOM 1030 CA ARG A 100 4.122 -7.962 -12.847 1.00 53.44 C ATOM 1031 C ARG A 100 3.203 -9.199 -12.797 1.00 72.51 C ATOM 1032 O ARG A 100 2.185 -9.193 -12.107 1.00 72.23 O ATOM 1033 CB ARG A 100 4.140 -7.375 -14.266 1.00 42.03 C ATOM 1034 CG ARG A 100 4.674 -5.946 -14.332 1.00 64.03 C ATOM 1035 CD ARG A 100 3.714 -4.968 -13.663 1.00 11.42 C ATOM 1036 NE ARG A 100 2.404 -4.971 -14.314 1.00 72.02 N ATOM 1037 CZ ARG A 100 1.257 -5.021 -13.691 1.00 41.41 C ATOM 1038 NH1 ARG A 100 1.201 -5.044 -12.394 1.00 62.24 N ATOM 1039 NH2 ARG A 100 0.165 -5.044 -14.377 1.00 55.33 N ATOM 0 H ARG A 100 6.210 -7.846 -13.043 1.00 52.41 H new ATOM 0 HA ARG A 100 3.701 -7.249 -12.138 1.00 53.44 H new ATOM 0 HB2 ARG A 100 4.751 -8.012 -14.905 1.00 42.03 H new ATOM 0 HB3 ARG A 100 3.128 -7.394 -14.671 1.00 42.03 H new ATOM 0 HG2 ARG A 100 5.647 -5.896 -13.844 1.00 64.03 H new ATOM 0 HG3 ARG A 100 4.824 -5.658 -15.373 1.00 64.03 H new ATOM 0 HD2 ARG A 100 3.599 -5.231 -12.612 1.00 11.42 H new ATOM 0 HD3 ARG A 100 4.135 -3.963 -13.696 1.00 11.42 H new ATOM 0 HE ARG A 100 2.385 -4.931 -15.333 1.00 72.02 H new ATOM 0 HH11 ARG A 100 2.061 -5.023 -11.846 1.00 62.24 H new ATOM 0 HH12 ARG A 100 0.297 -5.083 -11.923 1.00 62.24 H new ATOM 0 HH21 ARG A 100 0.202 -5.023 -15.396 1.00 55.33 H new ATOM 0 HH22 ARG A 100 -0.736 -5.083 -13.900 1.00 55.33 H new ATOM 1053 N SER A 101 3.564 -10.259 -13.516 1.00 52.32 N ATOM 1054 CA SER A 101 2.720 -11.468 -13.597 1.00 23.02 C ATOM 1055 C SER A 101 2.755 -12.291 -12.296 1.00 65.34 C ATOM 1056 O SER A 101 2.040 -13.284 -12.160 1.00 22.03 O ATOM 1057 CB SER A 101 3.162 -12.347 -14.774 1.00 61.00 C ATOM 1058 OG SER A 101 3.112 -11.629 -16.001 1.00 52.44 O ATOM 0 H SER A 101 4.430 -10.314 -14.052 1.00 52.32 H new ATOM 0 HA SER A 101 1.694 -11.132 -13.751 1.00 23.02 H new ATOM 0 HB2 SER A 101 4.176 -12.707 -14.601 1.00 61.00 H new ATOM 0 HB3 SER A 101 2.519 -13.225 -14.837 1.00 61.00 H new ATOM 0 HG SER A 101 3.400 -12.213 -16.734 1.00 52.44 H new ATOM 1064 N ASN A 102 3.588 -11.871 -11.347 1.00 32.11 N ATOM 1065 CA ASN A 102 3.718 -12.555 -10.053 1.00 74.10 C ATOM 1066 C ASN A 102 2.898 -11.844 -8.960 1.00 2.03 C ATOM 1067 O ASN A 102 2.708 -12.376 -7.865 1.00 54.24 O ATOM 1068 CB ASN A 102 5.197 -12.610 -9.648 1.00 13.32 C ATOM 1069 CG ASN A 102 6.045 -13.363 -10.655 1.00 72.22 C ATOM 1070 OD1 ASN A 102 6.481 -12.684 -11.697 1.00 1.24 O flip ATOM 1071 ND2 ASN A 102 6.297 -14.555 -10.508 1.00 21.04 N flip ATOM 0 H ASN A 102 4.190 -11.054 -11.447 1.00 32.11 H new ATOM 0 HA ASN A 102 3.328 -13.567 -10.159 1.00 74.10 H new ATOM 0 HB2 ASN A 102 5.580 -11.595 -9.542 1.00 13.32 H new ATOM 0 HB3 ASN A 102 5.286 -13.088 -8.672 1.00 13.32 H new ATOM 0 HD21 ASN A 102 5.945 -15.054 -9.691 1.00 21.04 H new ATOM 0 HD22 ASN A 102 6.858 -15.047 -11.203 1.00 21.04 H new ATOM 1078 N LEU A 103 2.424 -10.641 -9.271 1.00 70.52 N ATOM 1079 CA LEU A 103 1.659 -9.825 -8.320 1.00 40.11 C ATOM 1080 C LEU A 103 0.280 -10.427 -8.004 1.00 61.52 C ATOM 1081 O LEU A 103 -0.595 -10.510 -8.875 1.00 53.54 O ATOM 1082 CB LEU A 103 1.488 -8.406 -8.878 1.00 41.15 C ATOM 1083 CG LEU A 103 2.793 -7.633 -9.110 1.00 14.23 C ATOM 1084 CD1 LEU A 103 2.515 -6.243 -9.678 1.00 20.21 C ATOM 1085 CD2 LEU A 103 3.592 -7.535 -7.818 1.00 61.12 C ATOM 0 H LEU A 103 2.556 -10.202 -10.182 1.00 70.52 H new ATOM 0 HA LEU A 103 2.223 -9.799 -7.388 1.00 40.11 H new ATOM 0 HB2 LEU A 103 0.948 -8.467 -9.823 1.00 41.15 H new ATOM 0 HB3 LEU A 103 0.864 -7.835 -8.190 1.00 41.15 H new ATOM 0 HG LEU A 103 3.385 -8.182 -9.842 1.00 14.23 H new ATOM 0 HD11 LEU A 103 3.458 -5.718 -9.832 1.00 20.21 H new ATOM 0 HD12 LEU A 103 1.992 -6.337 -10.630 1.00 20.21 H new ATOM 0 HD13 LEU A 103 1.897 -5.681 -8.978 1.00 20.21 H new ATOM 0 HD21 LEU A 103 4.514 -6.984 -8.001 1.00 61.12 H new ATOM 0 HD22 LEU A 103 3.002 -7.014 -7.064 1.00 61.12 H new ATOM 0 HD23 LEU A 103 3.833 -8.537 -7.462 1.00 61.12 H new ATOM 1097 N ARG A 104 0.092 -10.840 -6.754 1.00 73.13 N ATOM 1098 CA ARG A 104 -1.192 -11.363 -6.277 1.00 4.34 C ATOM 1099 C ARG A 104 -1.829 -10.403 -5.254 1.00 35.12 C ATOM 1100 O ARG A 104 -1.489 -9.220 -5.197 1.00 60.53 O ATOM 1101 CB ARG A 104 -0.993 -12.747 -5.642 1.00 1.41 C ATOM 1102 CG ARG A 104 -0.502 -13.819 -6.609 1.00 42.12 C ATOM 1103 CD ARG A 104 -0.485 -15.197 -5.950 1.00 42.32 C ATOM 1104 NE ARG A 104 -1.795 -15.542 -5.389 1.00 40.11 N ATOM 1105 CZ ARG A 104 -2.174 -16.748 -5.060 1.00 21.40 C ATOM 1106 NH1 ARG A 104 -1.381 -17.761 -5.214 1.00 4.24 N ATOM 1107 NH2 ARG A 104 -3.357 -16.936 -4.572 1.00 33.31 N ATOM 0 H ARG A 104 0.822 -10.823 -6.041 1.00 73.13 H new ATOM 0 HA ARG A 104 -1.864 -11.452 -7.131 1.00 4.34 H new ATOM 0 HB2 ARG A 104 -0.279 -12.658 -4.824 1.00 1.41 H new ATOM 0 HB3 ARG A 104 -1.938 -13.073 -5.207 1.00 1.41 H new ATOM 0 HG2 ARG A 104 -1.147 -13.842 -7.488 1.00 42.12 H new ATOM 0 HG3 ARG A 104 0.500 -13.567 -6.956 1.00 42.12 H new ATOM 0 HD2 ARG A 104 -0.193 -15.948 -6.684 1.00 42.32 H new ATOM 0 HD3 ARG A 104 0.266 -15.214 -5.160 1.00 42.32 H new ATOM 0 HE ARG A 104 -2.461 -14.783 -5.245 1.00 40.11 H new ATOM 0 HH11 ARG A 104 -0.446 -17.623 -5.597 1.00 4.24 H new ATOM 0 HH12 ARG A 104 -1.692 -18.697 -4.952 1.00 4.24 H new ATOM 0 HH21 ARG A 104 -3.988 -16.145 -4.446 1.00 33.31 H new ATOM 0 HH22 ARG A 104 -3.659 -17.875 -4.313 1.00 33.31 H new ATOM 1121 N THR A 105 -2.771 -10.910 -4.459 1.00 40.15 N ATOM 1122 CA THR A 105 -3.398 -10.110 -3.400 1.00 32.15 C ATOM 1123 C THR A 105 -2.523 -10.088 -2.135 1.00 64.44 C ATOM 1124 O THR A 105 -2.312 -11.119 -1.500 1.00 72.43 O ATOM 1125 CB THR A 105 -4.798 -10.658 -3.027 1.00 33.40 C ATOM 1126 OG1 THR A 105 -5.612 -10.788 -4.205 1.00 4.41 O ATOM 1127 CG2 THR A 105 -5.498 -9.740 -2.031 1.00 32.30 C ATOM 0 H THR A 105 -3.118 -11.867 -4.525 1.00 40.15 H new ATOM 0 HA THR A 105 -3.503 -9.098 -3.791 1.00 32.15 H new ATOM 0 HB THR A 105 -4.661 -11.637 -2.567 1.00 33.40 H new ATOM 0 HG1 THR A 105 -6.031 -9.926 -4.410 1.00 4.41 H new ATOM 0 HG21 THR A 105 -6.479 -10.149 -1.787 1.00 32.30 H new ATOM 0 HG22 THR A 105 -4.900 -9.665 -1.123 1.00 32.30 H new ATOM 0 HG23 THR A 105 -5.617 -8.750 -2.470 1.00 32.30 H new ATOM 1135 N GLY A 106 -2.013 -8.908 -1.779 1.00 60.31 N ATOM 1136 CA GLY A 106 -1.156 -8.781 -0.602 1.00 40.13 C ATOM 1137 C GLY A 106 0.247 -8.278 -0.934 1.00 22.42 C ATOM 1138 O GLY A 106 0.973 -7.806 -0.053 1.00 71.05 O ATOM 0 H GLY A 106 -2.177 -8.036 -2.283 1.00 60.31 H new ATOM 0 HA2 GLY A 106 -1.622 -8.097 0.107 1.00 40.13 H new ATOM 0 HA3 GLY A 106 -1.081 -9.750 -0.108 1.00 40.13 H new ATOM 1142 N ASP A 107 0.632 -8.391 -2.203 1.00 43.43 N ATOM 1143 CA ASP A 107 1.930 -7.901 -2.676 1.00 14.04 C ATOM 1144 C ASP A 107 2.022 -6.368 -2.585 1.00 74.11 C ATOM 1145 O ASP A 107 1.123 -5.650 -3.025 1.00 34.41 O ATOM 1146 CB ASP A 107 2.169 -8.356 -4.122 1.00 5.14 C ATOM 1147 CG ASP A 107 2.242 -9.868 -4.245 1.00 73.20 C ATOM 1148 OD1 ASP A 107 1.196 -10.528 -4.086 1.00 12.34 O ATOM 1149 OD2 ASP A 107 3.343 -10.399 -4.489 1.00 62.05 O ATOM 0 H ASP A 107 0.060 -8.821 -2.930 1.00 43.43 H new ATOM 0 HA ASP A 107 2.701 -8.322 -2.031 1.00 14.04 H new ATOM 0 HB2 ASP A 107 1.366 -7.980 -4.756 1.00 5.14 H new ATOM 0 HB3 ASP A 107 3.097 -7.918 -4.490 1.00 5.14 H new ATOM 1154 N LEU A 108 3.111 -5.875 -2.002 1.00 72.54 N ATOM 1155 CA LEU A 108 3.350 -4.436 -1.899 1.00 24.11 C ATOM 1156 C LEU A 108 4.093 -3.920 -3.139 1.00 51.21 C ATOM 1157 O LEU A 108 5.246 -4.278 -3.376 1.00 10.55 O ATOM 1158 CB LEU A 108 4.155 -4.117 -0.629 1.00 11.30 C ATOM 1159 CG LEU A 108 3.492 -4.544 0.694 1.00 44.12 C ATOM 1160 CD1 LEU A 108 4.358 -4.149 1.887 1.00 11.22 C ATOM 1161 CD2 LEU A 108 2.092 -3.945 0.811 1.00 44.12 C ATOM 0 H LEU A 108 3.845 -6.452 -1.592 1.00 72.54 H new ATOM 0 HA LEU A 108 2.385 -3.933 -1.839 1.00 24.11 H new ATOM 0 HB2 LEU A 108 5.127 -4.604 -0.703 1.00 11.30 H new ATOM 0 HB3 LEU A 108 4.338 -3.043 -0.595 1.00 11.30 H new ATOM 0 HG LEU A 108 3.397 -5.630 0.695 1.00 44.12 H new ATOM 0 HD11 LEU A 108 3.870 -4.461 2.810 1.00 11.22 H new ATOM 0 HD12 LEU A 108 5.330 -4.636 1.808 1.00 11.22 H new ATOM 0 HD13 LEU A 108 4.494 -3.068 1.896 1.00 11.22 H new ATOM 0 HD21 LEU A 108 1.640 -4.258 1.752 1.00 44.12 H new ATOM 0 HD22 LEU A 108 2.158 -2.857 0.784 1.00 44.12 H new ATOM 0 HD23 LEU A 108 1.477 -4.292 -0.020 1.00 44.12 H new ATOM 1173 N VAL A 109 3.435 -3.077 -3.925 1.00 34.45 N ATOM 1174 CA VAL A 109 4.034 -2.554 -5.155 1.00 54.52 C ATOM 1175 C VAL A 109 4.692 -1.187 -4.926 1.00 31.23 C ATOM 1176 O VAL A 109 4.064 -0.243 -4.442 1.00 14.25 O ATOM 1177 CB VAL A 109 2.992 -2.466 -6.301 1.00 63.33 C ATOM 1178 CG1 VAL A 109 2.582 -3.867 -6.751 1.00 70.22 C ATOM 1179 CG2 VAL A 109 1.767 -1.660 -5.873 1.00 25.42 C ATOM 0 H VAL A 109 2.491 -2.740 -3.737 1.00 34.45 H new ATOM 0 HA VAL A 109 4.811 -3.258 -5.453 1.00 54.52 H new ATOM 0 HB VAL A 109 3.455 -1.948 -7.141 1.00 63.33 H new ATOM 0 HG11 VAL A 109 1.850 -3.791 -7.556 1.00 70.22 H new ATOM 0 HG12 VAL A 109 3.460 -4.406 -7.108 1.00 70.22 H new ATOM 0 HG13 VAL A 109 2.143 -4.405 -5.911 1.00 70.22 H new ATOM 0 HG21 VAL A 109 1.055 -1.616 -6.697 1.00 25.42 H new ATOM 0 HG22 VAL A 109 1.298 -2.139 -5.013 1.00 25.42 H new ATOM 0 HG23 VAL A 109 2.073 -0.649 -5.603 1.00 25.42 H new ATOM 1189 N LEU A 110 5.973 -1.102 -5.276 1.00 72.32 N ATOM 1190 CA LEU A 110 6.792 0.083 -5.012 1.00 44.23 C ATOM 1191 C LEU A 110 6.882 1.000 -6.243 1.00 11.41 C ATOM 1192 O LEU A 110 7.260 0.563 -7.333 1.00 25.42 O ATOM 1193 CB LEU A 110 8.201 -0.355 -4.589 1.00 43.33 C ATOM 1194 CG LEU A 110 8.255 -1.271 -3.355 1.00 0.42 C ATOM 1195 CD1 LEU A 110 9.671 -1.794 -3.135 1.00 24.40 C ATOM 1196 CD2 LEU A 110 7.754 -0.535 -2.112 1.00 12.42 C ATOM 0 H LEU A 110 6.475 -1.852 -5.751 1.00 72.32 H new ATOM 0 HA LEU A 110 6.318 0.649 -4.210 1.00 44.23 H new ATOM 0 HB2 LEU A 110 8.671 -0.871 -5.426 1.00 43.33 H new ATOM 0 HB3 LEU A 110 8.797 0.535 -4.388 1.00 43.33 H new ATOM 0 HG LEU A 110 7.599 -2.123 -3.535 1.00 0.42 H new ATOM 0 HD11 LEU A 110 9.688 -2.440 -2.257 1.00 24.40 H new ATOM 0 HD12 LEU A 110 9.989 -2.362 -4.009 1.00 24.40 H new ATOM 0 HD13 LEU A 110 10.349 -0.955 -2.981 1.00 24.40 H new ATOM 0 HD21 LEU A 110 7.801 -1.202 -1.251 1.00 12.42 H new ATOM 0 HD22 LEU A 110 8.380 0.338 -1.929 1.00 12.42 H new ATOM 0 HD23 LEU A 110 6.723 -0.216 -2.269 1.00 12.42 H new ATOM 1208 N PHE A 111 6.545 2.271 -6.056 1.00 41.33 N ATOM 1209 CA PHE A 111 6.633 3.272 -7.123 1.00 71.14 C ATOM 1210 C PHE A 111 7.635 4.378 -6.768 1.00 22.32 C ATOM 1211 O PHE A 111 7.987 4.567 -5.600 1.00 31.10 O ATOM 1212 CB PHE A 111 5.258 3.898 -7.381 1.00 13.45 C ATOM 1213 CG PHE A 111 4.202 2.896 -7.772 1.00 42.51 C ATOM 1214 CD1 PHE A 111 4.098 2.454 -9.083 1.00 52.12 C ATOM 1215 CD2 PHE A 111 3.316 2.402 -6.829 1.00 13.23 C ATOM 1216 CE1 PHE A 111 3.133 1.537 -9.443 1.00 31.44 C ATOM 1217 CE2 PHE A 111 2.349 1.485 -7.185 1.00 21.03 C ATOM 1218 CZ PHE A 111 2.256 1.054 -8.494 1.00 1.45 C ATOM 0 H PHE A 111 6.205 2.639 -5.168 1.00 41.33 H new ATOM 0 HA PHE A 111 6.979 2.764 -8.023 1.00 71.14 H new ATOM 0 HB2 PHE A 111 4.933 4.424 -6.483 1.00 13.45 H new ATOM 0 HB3 PHE A 111 5.350 4.643 -8.171 1.00 13.45 H new ATOM 0 HD1 PHE A 111 4.780 2.832 -9.830 1.00 52.12 H new ATOM 0 HD2 PHE A 111 3.383 2.738 -5.805 1.00 13.23 H new ATOM 0 HE1 PHE A 111 3.064 1.198 -10.466 1.00 31.44 H new ATOM 0 HE2 PHE A 111 1.665 1.104 -6.441 1.00 21.03 H new ATOM 0 HZ PHE A 111 1.497 0.339 -8.774 1.00 1.45 H new ATOM 1228 N ARG A 112 8.090 5.103 -7.781 1.00 63.34 N ATOM 1229 CA ARG A 112 9.007 6.226 -7.578 1.00 42.22 C ATOM 1230 C ARG A 112 8.241 7.549 -7.412 1.00 54.12 C ATOM 1231 O ARG A 112 7.459 7.947 -8.280 1.00 22.10 O ATOM 1232 CB ARG A 112 9.992 6.310 -8.751 1.00 44.33 C ATOM 1233 CG ARG A 112 10.884 5.077 -8.873 1.00 42.22 C ATOM 1234 CD ARG A 112 11.772 5.129 -10.108 1.00 63.01 C ATOM 1235 NE ARG A 112 12.640 3.957 -10.202 1.00 73.00 N ATOM 1236 CZ ARG A 112 12.625 3.105 -11.191 1.00 23.21 C ATOM 1237 NH1 ARG A 112 11.791 3.242 -12.172 1.00 54.14 N ATOM 1238 NH2 ARG A 112 13.448 2.106 -11.193 1.00 64.42 N ATOM 0 H ARG A 112 7.840 4.936 -8.756 1.00 63.34 H new ATOM 0 HA ARG A 112 9.565 6.055 -6.658 1.00 42.22 H new ATOM 0 HB2 ARG A 112 9.434 6.440 -9.678 1.00 44.33 H new ATOM 0 HB3 ARG A 112 10.618 7.194 -8.629 1.00 44.33 H new ATOM 0 HG2 ARG A 112 11.507 4.992 -7.983 1.00 42.22 H new ATOM 0 HG3 ARG A 112 10.262 4.183 -8.913 1.00 42.22 H new ATOM 0 HD2 ARG A 112 11.150 5.193 -11.001 1.00 63.01 H new ATOM 0 HD3 ARG A 112 12.382 6.032 -10.079 1.00 63.01 H new ATOM 0 HE ARG A 112 13.302 3.794 -9.444 1.00 73.00 H new ATOM 0 HH11 ARG A 112 11.135 4.023 -12.178 1.00 54.14 H new ATOM 0 HH12 ARG A 112 11.790 2.569 -12.938 1.00 54.14 H new ATOM 0 HH21 ARG A 112 14.106 1.986 -10.423 1.00 64.42 H new ATOM 0 HH22 ARG A 112 13.438 1.439 -11.964 1.00 64.42 H new ATOM 1252 N ALA A 113 8.461 8.215 -6.282 1.00 71.31 N ATOM 1253 CA ALA A 113 7.798 9.490 -5.986 1.00 63.21 C ATOM 1254 C ALA A 113 8.823 10.621 -5.816 1.00 32.35 C ATOM 1255 O ALA A 113 10.012 10.369 -5.624 1.00 13.21 O ATOM 1256 CB ALA A 113 6.935 9.349 -4.733 1.00 73.41 C ATOM 0 H ALA A 113 9.096 7.894 -5.551 1.00 71.31 H new ATOM 0 HA ALA A 113 7.157 9.750 -6.829 1.00 63.21 H new ATOM 0 HB1 ALA A 113 6.446 10.299 -4.519 1.00 73.41 H new ATOM 0 HB2 ALA A 113 6.179 8.581 -4.896 1.00 73.41 H new ATOM 0 HB3 ALA A 113 7.563 9.066 -3.888 1.00 73.41 H new ATOM 1301 N ARG A 118 10.201 7.060 -2.350 1.00 33.33 N ATOM 1302 CA ARG A 118 9.605 5.722 -2.421 1.00 51.55 C ATOM 1303 C ARG A 118 8.112 5.760 -2.066 1.00 41.10 C ATOM 1304 O ARG A 118 7.707 6.403 -1.093 1.00 14.03 O ATOM 1305 CB ARG A 118 10.332 4.771 -1.459 1.00 4.04 C ATOM 1306 CG ARG A 118 11.831 4.666 -1.701 1.00 30.52 C ATOM 1307 CD ARG A 118 12.153 4.051 -3.057 1.00 0.33 C ATOM 1308 NE ARG A 118 13.587 4.099 -3.346 1.00 44.23 N ATOM 1309 CZ ARG A 118 14.277 3.109 -3.838 1.00 50.51 C ATOM 1310 NH1 ARG A 118 13.724 1.953 -4.034 1.00 42.22 N ATOM 1311 NH2 ARG A 118 15.531 3.271 -4.112 1.00 70.52 N ATOM 0 HA ARG A 118 9.710 5.363 -3.445 1.00 51.55 H new ATOM 0 HB2 ARG A 118 10.163 5.108 -0.436 1.00 4.04 H new ATOM 0 HB3 ARG A 118 9.891 3.778 -1.545 1.00 4.04 H new ATOM 0 HG2 ARG A 118 12.278 5.658 -1.639 1.00 30.52 H new ATOM 0 HG3 ARG A 118 12.283 4.063 -0.914 1.00 30.52 H new ATOM 0 HD2 ARG A 118 11.812 3.016 -3.077 1.00 0.33 H new ATOM 0 HD3 ARG A 118 11.607 4.582 -3.836 1.00 0.33 H new ATOM 0 HE ARG A 118 14.081 4.969 -3.148 1.00 44.23 H new ATOM 0 HH11 ARG A 118 12.741 1.812 -3.803 1.00 42.22 H new ATOM 0 HH12 ARG A 118 14.272 1.184 -4.420 1.00 42.22 H new ATOM 0 HH21 ARG A 118 15.978 4.172 -3.943 1.00 70.52 H new ATOM 0 HH22 ARG A 118 16.073 2.497 -4.497 1.00 70.52 H new ATOM 1325 N HIS A 119 7.303 5.070 -2.861 1.00 0.44 N ATOM 1326 CA HIS A 119 5.866 4.943 -2.601 1.00 24.12 C ATOM 1327 C HIS A 119 5.457 3.463 -2.637 1.00 54.02 C ATOM 1328 O HIS A 119 6.054 2.671 -3.364 1.00 62.02 O ATOM 1329 CB HIS A 119 5.072 5.749 -3.639 1.00 4.53 C ATOM 1330 CG HIS A 119 3.598 5.795 -3.373 1.00 31.33 C ATOM 1331 ND1 HIS A 119 3.052 6.737 -2.538 1.00 63.34 N ATOM 1332 CD2 HIS A 119 2.609 5.003 -3.850 1.00 32.40 C ATOM 1333 CE1 HIS A 119 1.754 6.504 -2.522 1.00 31.32 C ATOM 1334 NE2 HIS A 119 1.440 5.464 -3.302 1.00 63.51 N ATOM 0 H HIS A 119 7.618 4.584 -3.701 1.00 0.44 H new ATOM 0 HA HIS A 119 5.644 5.341 -1.611 1.00 24.12 H new ATOM 0 HB2 HIS A 119 5.458 6.768 -3.667 1.00 4.53 H new ATOM 0 HB3 HIS A 119 5.240 5.318 -4.626 1.00 4.53 H new ATOM 0 HD2 HIS A 119 2.719 4.171 -4.529 1.00 32.40 H new ATOM 0 HE1 HIS A 119 1.038 7.078 -1.953 1.00 31.32 H new ATOM 0 HE2 HIS A 119 0.506 5.085 -3.460 1.00 63.51 H new ATOM 1342 N VAL A 120 4.451 3.087 -1.853 1.00 12.21 N ATOM 1343 CA VAL A 120 4.015 1.686 -1.790 1.00 73.01 C ATOM 1344 C VAL A 120 2.482 1.548 -1.829 1.00 43.13 C ATOM 1345 O VAL A 120 1.753 2.325 -1.211 1.00 21.44 O ATOM 1346 CB VAL A 120 4.574 0.981 -0.525 1.00 54.20 C ATOM 1347 CG1 VAL A 120 4.090 1.667 0.750 1.00 62.11 C ATOM 1348 CG2 VAL A 120 4.206 -0.502 -0.518 1.00 65.35 C ATOM 0 H VAL A 120 3.923 3.723 -1.255 1.00 12.21 H new ATOM 0 HA VAL A 120 4.418 1.198 -2.678 1.00 73.01 H new ATOM 0 HB VAL A 120 5.661 1.060 -0.554 1.00 54.20 H new ATOM 0 HG11 VAL A 120 4.498 1.150 1.619 1.00 62.11 H new ATOM 0 HG12 VAL A 120 4.425 2.704 0.754 1.00 62.11 H new ATOM 0 HG13 VAL A 120 3.001 1.637 0.789 1.00 62.11 H new ATOM 0 HG21 VAL A 120 4.609 -0.973 0.379 1.00 65.35 H new ATOM 0 HG22 VAL A 120 3.121 -0.608 -0.527 1.00 65.35 H new ATOM 0 HG23 VAL A 120 4.625 -0.985 -1.401 1.00 65.35 H new ATOM 1358 N GLY A 121 2.007 0.555 -2.578 1.00 14.33 N ATOM 1359 CA GLY A 121 0.577 0.269 -2.650 1.00 72.15 C ATOM 1360 C GLY A 121 0.259 -1.200 -2.390 1.00 52.54 C ATOM 1361 O GLY A 121 1.026 -2.085 -2.773 1.00 2.32 O ATOM 0 H GLY A 121 2.590 -0.063 -3.142 1.00 14.33 H new ATOM 0 HA2 GLY A 121 0.050 0.885 -1.922 1.00 72.15 H new ATOM 0 HA3 GLY A 121 0.203 0.549 -3.635 1.00 72.15 H new ATOM 1365 N ILE A 122 -0.870 -1.462 -1.741 1.00 20.13 N ATOM 1366 CA ILE A 122 -1.270 -2.833 -1.406 1.00 2.41 C ATOM 1367 C ILE A 122 -2.123 -3.461 -2.524 1.00 70.35 C ATOM 1368 O ILE A 122 -3.292 -3.099 -2.705 1.00 41.02 O ATOM 1369 CB ILE A 122 -2.060 -2.876 -0.073 1.00 23.24 C ATOM 1370 CG1 ILE A 122 -1.328 -2.067 1.013 1.00 63.41 C ATOM 1371 CG2 ILE A 122 -2.254 -4.323 0.379 1.00 45.23 C ATOM 1372 CD1 ILE A 122 -2.076 -1.987 2.330 1.00 73.31 C ATOM 0 H ILE A 122 -1.528 -0.746 -1.434 1.00 20.13 H new ATOM 0 HA ILE A 122 -0.353 -3.412 -1.297 1.00 2.41 H new ATOM 0 HB ILE A 122 -3.040 -2.427 -0.234 1.00 23.24 H new ATOM 0 HG12 ILE A 122 -0.350 -2.515 1.189 1.00 63.41 H new ATOM 0 HG13 ILE A 122 -1.154 -1.056 0.644 1.00 63.41 H new ATOM 0 HG21 ILE A 122 -2.810 -4.340 1.316 1.00 45.23 H new ATOM 0 HG22 ILE A 122 -2.809 -4.871 -0.382 1.00 45.23 H new ATOM 0 HG23 ILE A 122 -1.281 -4.792 0.526 1.00 45.23 H new ATOM 0 HD11 ILE A 122 -1.496 -1.401 3.043 1.00 73.31 H new ATOM 0 HD12 ILE A 122 -3.043 -1.510 2.171 1.00 73.31 H new ATOM 0 HD13 ILE A 122 -2.227 -2.992 2.724 1.00 73.31 H new ATOM 1384 N TYR A 123 -1.533 -4.398 -3.266 1.00 71.52 N ATOM 1385 CA TYR A 123 -2.201 -5.041 -4.411 1.00 63.42 C ATOM 1386 C TYR A 123 -3.428 -5.857 -3.961 1.00 60.42 C ATOM 1387 O TYR A 123 -3.301 -6.821 -3.203 1.00 25.13 O ATOM 1388 CB TYR A 123 -1.200 -5.950 -5.151 1.00 10.32 C ATOM 1389 CG TYR A 123 -1.187 -5.781 -6.661 1.00 2.53 C ATOM 1390 CD1 TYR A 123 -0.794 -4.578 -7.237 1.00 41.40 C ATOM 1391 CD2 TYR A 123 -1.533 -6.829 -7.511 1.00 13.34 C ATOM 1392 CE1 TYR A 123 -0.745 -4.421 -8.609 1.00 3.54 C ATOM 1393 CE2 TYR A 123 -1.493 -6.675 -8.886 1.00 13.44 C ATOM 1394 CZ TYR A 123 -1.094 -5.470 -9.430 1.00 51.45 C ATOM 1395 OH TYR A 123 -1.028 -5.317 -10.800 1.00 25.50 O ATOM 0 H TYR A 123 -0.585 -4.735 -3.097 1.00 71.52 H new ATOM 0 HA TYR A 123 -2.552 -4.260 -5.085 1.00 63.42 H new ATOM 0 HB2 TYR A 123 -0.199 -5.753 -4.768 1.00 10.32 H new ATOM 0 HB3 TYR A 123 -1.432 -6.989 -4.917 1.00 10.32 H new ATOM 0 HD1 TYR A 123 -0.522 -3.750 -6.599 1.00 41.40 H new ATOM 0 HD2 TYR A 123 -1.837 -7.776 -7.091 1.00 13.34 H new ATOM 0 HE1 TYR A 123 -0.434 -3.479 -9.036 1.00 3.54 H new ATOM 0 HE2 TYR A 123 -1.773 -7.495 -9.531 1.00 13.44 H new ATOM 0 HH TYR A 123 -1.575 -6.005 -11.233 1.00 25.50 H new ATOM 1405 N ILE A 124 -4.615 -5.469 -4.430 1.00 74.14 N ATOM 1406 CA ILE A 124 -5.855 -6.157 -4.041 1.00 55.41 C ATOM 1407 C ILE A 124 -6.365 -7.113 -5.139 1.00 0.24 C ATOM 1408 O ILE A 124 -6.955 -8.154 -4.835 1.00 13.24 O ATOM 1409 CB ILE A 124 -6.976 -5.152 -3.661 1.00 51.10 C ATOM 1410 CG1 ILE A 124 -7.311 -4.220 -4.840 1.00 2.43 C ATOM 1411 CG2 ILE A 124 -6.570 -4.343 -2.427 1.00 24.44 C ATOM 1412 CD1 ILE A 124 -8.431 -3.238 -4.552 1.00 63.10 C ATOM 0 H ILE A 124 -4.748 -4.689 -5.074 1.00 74.14 H new ATOM 0 HA ILE A 124 -5.604 -6.752 -3.163 1.00 55.41 H new ATOM 0 HB ILE A 124 -7.875 -5.720 -3.423 1.00 51.10 H new ATOM 0 HG12 ILE A 124 -6.415 -3.663 -5.115 1.00 2.43 H new ATOM 0 HG13 ILE A 124 -7.587 -4.827 -5.702 1.00 2.43 H new ATOM 0 HG21 ILE A 124 -7.366 -3.643 -2.173 1.00 24.44 H new ATOM 0 HG22 ILE A 124 -6.400 -5.019 -1.589 1.00 24.44 H new ATOM 0 HG23 ILE A 124 -5.655 -3.790 -2.639 1.00 24.44 H new ATOM 0 HD11 ILE A 124 -8.606 -2.618 -5.431 1.00 63.10 H new ATOM 0 HD12 ILE A 124 -9.341 -3.786 -4.307 1.00 63.10 H new ATOM 0 HD13 ILE A 124 -8.151 -2.604 -3.711 1.00 63.10 H new ATOM 1424 N GLY A 125 -6.143 -6.768 -6.410 1.00 63.03 N ATOM 1425 CA GLY A 125 -6.602 -7.633 -7.495 1.00 54.55 C ATOM 1426 C GLY A 125 -6.246 -7.136 -8.896 1.00 24.43 C ATOM 1427 O GLY A 125 -6.436 -5.960 -9.217 1.00 12.11 O ATOM 0 H GLY A 125 -5.661 -5.919 -6.706 1.00 63.03 H new ATOM 0 HA2 GLY A 125 -6.175 -8.626 -7.356 1.00 54.55 H new ATOM 0 HA3 GLY A 125 -7.685 -7.739 -7.425 1.00 54.55 H new ATOM 1431 N ASN A 126 -5.729 -8.051 -9.726 1.00 5.15 N ATOM 1432 CA ASN A 126 -5.424 -7.787 -11.138 1.00 43.24 C ATOM 1433 C ASN A 126 -4.389 -6.662 -11.313 1.00 62.15 C ATOM 1434 O ASN A 126 -3.205 -6.926 -11.515 1.00 41.33 O ATOM 1435 CB ASN A 126 -6.717 -7.492 -11.918 1.00 5.13 C ATOM 1436 CG ASN A 126 -6.463 -7.057 -13.352 1.00 51.55 C ATOM 1437 OD1 ASN A 126 -6.435 -5.869 -13.653 1.00 2.14 O ATOM 1438 ND2 ASN A 126 -6.259 -8.007 -14.242 1.00 22.30 N ATOM 0 H ASN A 126 -5.509 -9.003 -9.434 1.00 5.15 H new ATOM 0 HA ASN A 126 -4.969 -8.687 -11.551 1.00 43.24 H new ATOM 0 HB2 ASN A 126 -7.344 -8.384 -11.921 1.00 5.13 H new ATOM 0 HB3 ASN A 126 -7.276 -6.711 -11.402 1.00 5.13 H new ATOM 0 HD21 ASN A 126 -6.071 -7.763 -15.214 1.00 22.30 H new ATOM 0 HD22 ASN A 126 -6.289 -8.986 -13.959 1.00 22.30 H new ATOM 1445 N ASN A 127 -4.839 -5.414 -11.217 1.00 71.04 N ATOM 1446 CA ASN A 127 -3.974 -4.247 -11.442 1.00 40.01 C ATOM 1447 C ASN A 127 -4.283 -3.102 -10.471 1.00 30.52 C ATOM 1448 O ASN A 127 -3.662 -2.042 -10.540 1.00 4.01 O ATOM 1449 CB ASN A 127 -4.130 -3.761 -12.888 1.00 34.34 C ATOM 1450 CG ASN A 127 -3.402 -4.643 -13.885 1.00 14.41 C ATOM 1451 OD1 ASN A 127 -2.365 -5.218 -13.581 1.00 40.00 O ATOM 1452 ND2 ASN A 127 -3.937 -4.758 -15.082 1.00 33.42 N ATOM 0 H ASN A 127 -5.804 -5.178 -10.984 1.00 71.04 H new ATOM 0 HA ASN A 127 -2.945 -4.559 -11.262 1.00 40.01 H new ATOM 0 HB2 ASN A 127 -5.189 -3.729 -13.144 1.00 34.34 H new ATOM 0 HB3 ASN A 127 -3.752 -2.742 -12.967 1.00 34.34 H new ATOM 0 HD21 ASN A 127 -3.486 -5.340 -15.788 1.00 33.42 H new ATOM 0 HD22 ASN A 127 -4.802 -4.265 -15.303 1.00 33.42 H new ATOM 1459 N GLN A 128 -5.233 -3.318 -9.564 1.00 53.31 N ATOM 1460 CA GLN A 128 -5.647 -2.275 -8.621 1.00 10.15 C ATOM 1461 C GLN A 128 -5.051 -2.492 -7.224 1.00 2.22 C ATOM 1462 O GLN A 128 -4.871 -3.627 -6.771 1.00 21.21 O ATOM 1463 CB GLN A 128 -7.176 -2.202 -8.547 1.00 62.30 C ATOM 1464 CG GLN A 128 -7.816 -1.792 -9.868 1.00 42.13 C ATOM 1465 CD GLN A 128 -9.331 -1.691 -9.803 1.00 12.02 C ATOM 1466 OE1 GLN A 128 -9.863 -1.307 -8.662 1.00 34.33 O flip ATOM 1467 NE2 GLN A 128 -10.019 -1.939 -10.787 1.00 13.33 N flip ATOM 0 H GLN A 128 -5.731 -4.202 -9.460 1.00 53.31 H new ATOM 0 HA GLN A 128 -5.262 -1.326 -8.993 1.00 10.15 H new ATOM 0 HB2 GLN A 128 -7.567 -3.174 -8.246 1.00 62.30 H new ATOM 0 HB3 GLN A 128 -7.463 -1.490 -7.774 1.00 62.30 H new ATOM 0 HG2 GLN A 128 -7.409 -0.829 -10.176 1.00 42.13 H new ATOM 0 HG3 GLN A 128 -7.541 -2.515 -10.636 1.00 42.13 H new ATOM 0 HE21 GLN A 128 -9.577 -2.235 -11.657 1.00 13.33 H new ATOM 0 HE22 GLN A 128 -11.034 -1.850 -10.735 1.00 13.33 H new ATOM 1476 N PHE A 129 -4.758 -1.382 -6.550 1.00 43.12 N ATOM 1477 CA PHE A 129 -4.104 -1.402 -5.238 1.00 23.32 C ATOM 1478 C PHE A 129 -4.507 -0.187 -4.384 1.00 72.23 C ATOM 1479 O PHE A 129 -4.789 0.891 -4.912 1.00 14.10 O ATOM 1480 CB PHE A 129 -2.576 -1.444 -5.421 1.00 50.05 C ATOM 1481 CG PHE A 129 -2.065 -0.500 -6.485 1.00 24.55 C ATOM 1482 CD1 PHE A 129 -1.967 -0.920 -7.805 1.00 43.44 C ATOM 1483 CD2 PHE A 129 -1.694 0.800 -6.173 1.00 63.21 C ATOM 1484 CE1 PHE A 129 -1.510 -0.067 -8.789 1.00 21.50 C ATOM 1485 CE2 PHE A 129 -1.236 1.658 -7.155 1.00 21.43 C ATOM 1486 CZ PHE A 129 -1.144 1.225 -8.463 1.00 25.04 C ATOM 0 H PHE A 129 -4.965 -0.445 -6.894 1.00 43.12 H new ATOM 0 HA PHE A 129 -4.432 -2.297 -4.709 1.00 23.32 H new ATOM 0 HB2 PHE A 129 -2.099 -1.200 -4.472 1.00 50.05 H new ATOM 0 HB3 PHE A 129 -2.277 -2.461 -5.676 1.00 50.05 H new ATOM 0 HD1 PHE A 129 -2.252 -1.929 -8.065 1.00 43.44 H new ATOM 0 HD2 PHE A 129 -1.764 1.145 -5.152 1.00 63.21 H new ATOM 0 HE1 PHE A 129 -1.439 -0.408 -9.811 1.00 21.50 H new ATOM 0 HE2 PHE A 129 -0.950 2.668 -6.899 1.00 21.43 H new ATOM 0 HZ PHE A 129 -0.786 1.895 -9.230 1.00 25.04 H new ATOM 1496 N VAL A 130 -4.538 -0.372 -3.064 1.00 23.44 N ATOM 1497 CA VAL A 130 -4.891 0.709 -2.132 1.00 13.41 C ATOM 1498 C VAL A 130 -3.632 1.336 -1.506 1.00 22.12 C ATOM 1499 O VAL A 130 -2.691 0.632 -1.137 1.00 63.23 O ATOM 1500 CB VAL A 130 -5.845 0.206 -1.015 1.00 51.54 C ATOM 1501 CG1 VAL A 130 -5.187 -0.889 -0.181 1.00 54.20 C ATOM 1502 CG2 VAL A 130 -6.304 1.364 -0.130 1.00 71.04 C ATOM 0 H VAL A 130 -4.323 -1.261 -2.612 1.00 23.44 H new ATOM 0 HA VAL A 130 -5.411 1.474 -2.709 1.00 13.41 H new ATOM 0 HB VAL A 130 -6.725 -0.224 -1.495 1.00 51.54 H new ATOM 0 HG11 VAL A 130 -5.878 -1.222 0.593 1.00 54.20 H new ATOM 0 HG12 VAL A 130 -4.930 -1.731 -0.824 1.00 54.20 H new ATOM 0 HG13 VAL A 130 -4.282 -0.498 0.284 1.00 54.20 H new ATOM 0 HG21 VAL A 130 -6.971 0.987 0.645 1.00 71.04 H new ATOM 0 HG22 VAL A 130 -5.437 1.833 0.334 1.00 71.04 H new ATOM 0 HG23 VAL A 130 -6.832 2.099 -0.737 1.00 71.04 H new ATOM 1512 N HIS A 131 -3.622 2.662 -1.393 1.00 54.44 N ATOM 1513 CA HIS A 131 -2.439 3.393 -0.920 1.00 42.24 C ATOM 1514 C HIS A 131 -2.785 4.829 -0.499 1.00 31.14 C ATOM 1515 O HIS A 131 -3.826 5.366 -0.875 1.00 55.05 O ATOM 1516 CB HIS A 131 -1.388 3.436 -2.034 1.00 42.11 C ATOM 1517 CG HIS A 131 -1.877 4.119 -3.280 1.00 22.24 C ATOM 1518 ND1 HIS A 131 -1.357 5.320 -3.687 1.00 23.44 N ATOM 1519 CD2 HIS A 131 -2.835 3.735 -4.160 1.00 23.21 C ATOM 1520 CE1 HIS A 131 -2.002 5.638 -4.792 1.00 63.51 C ATOM 1521 NE2 HIS A 131 -2.905 4.707 -5.121 1.00 53.15 N ATOM 0 H HIS A 131 -4.418 3.257 -1.622 1.00 54.44 H new ATOM 0 HA HIS A 131 -2.051 2.869 -0.047 1.00 42.24 H new ATOM 0 HB2 HIS A 131 -0.501 3.952 -1.668 1.00 42.11 H new ATOM 0 HB3 HIS A 131 -1.086 2.418 -2.280 1.00 42.11 H new ATOM 0 HD2 HIS A 131 -3.429 2.834 -4.112 1.00 23.21 H new ATOM 0 HE1 HIS A 131 -1.824 6.538 -5.361 1.00 63.51 H new ATOM 0 HE2 HIS A 131 -3.525 4.719 -5.931 1.00 53.15 H new ATOM 1529 N ALA A 132 -1.904 5.450 0.281 1.00 65.13 N ATOM 1530 CA ALA A 132 -2.056 6.864 0.636 1.00 74.40 C ATOM 1531 C ALA A 132 -1.322 7.760 -0.378 1.00 24.45 C ATOM 1532 O ALA A 132 -0.112 7.962 -0.291 1.00 70.53 O ATOM 1533 CB ALA A 132 -1.555 7.119 2.056 1.00 25.53 C ATOM 0 H ALA A 132 -1.079 5.001 0.680 1.00 65.13 H new ATOM 0 HA ALA A 132 -3.116 7.116 0.602 1.00 74.40 H new ATOM 0 HB1 ALA A 132 -1.676 8.174 2.301 1.00 25.53 H new ATOM 0 HB2 ALA A 132 -2.130 6.515 2.758 1.00 25.53 H new ATOM 0 HB3 ALA A 132 -0.501 6.850 2.124 1.00 25.53 H new ATOM 1539 N SER A 133 -2.071 8.271 -1.350 1.00 11.14 N ATOM 1540 CA SER A 133 -1.506 9.078 -2.442 1.00 71.42 C ATOM 1541 C SER A 133 -1.196 10.517 -2.011 1.00 61.42 C ATOM 1542 O SER A 133 -1.868 11.083 -1.150 1.00 63.30 O ATOM 1543 CB SER A 133 -2.480 9.124 -3.627 1.00 60.42 C ATOM 1544 OG SER A 133 -3.669 9.836 -3.292 1.00 0.30 O ATOM 0 H SER A 133 -3.081 8.142 -1.409 1.00 11.14 H new ATOM 0 HA SER A 133 -0.571 8.598 -2.730 1.00 71.42 H new ATOM 0 HB2 SER A 133 -1.996 9.600 -4.480 1.00 60.42 H new ATOM 0 HB3 SER A 133 -2.735 8.109 -3.931 1.00 60.42 H new ATOM 0 HG SER A 133 -4.143 9.363 -2.576 1.00 0.30 H new ATOM 1550 N THR A 134 -0.194 11.115 -2.652 1.00 74.23 N ATOM 1551 CA THR A 134 0.168 12.523 -2.422 1.00 52.12 C ATOM 1552 C THR A 134 -0.747 13.479 -3.211 1.00 33.51 C ATOM 1553 O THR A 134 -0.499 14.686 -3.277 1.00 12.11 O ATOM 1554 CB THR A 134 1.637 12.794 -2.834 1.00 14.45 C ATOM 1555 OG1 THR A 134 1.823 12.485 -4.226 1.00 61.02 O ATOM 1556 CG2 THR A 134 2.608 11.965 -1.995 1.00 4.22 C ATOM 0 H THR A 134 0.391 10.645 -3.343 1.00 74.23 H new ATOM 0 HA THR A 134 0.044 12.707 -1.355 1.00 52.12 H new ATOM 0 HB THR A 134 1.844 13.850 -2.661 1.00 14.45 H new ATOM 0 HG1 THR A 134 2.753 12.661 -4.479 1.00 61.02 H new ATOM 0 HG21 THR A 134 3.631 12.177 -2.307 1.00 4.22 H new ATOM 0 HG22 THR A 134 2.490 12.221 -0.942 1.00 4.22 H new ATOM 0 HG23 THR A 134 2.397 10.905 -2.136 1.00 4.22 H new ATOM 1564 N SER A 135 -1.808 12.935 -3.810 1.00 31.25 N ATOM 1565 CA SER A 135 -2.749 13.732 -4.614 1.00 24.32 C ATOM 1566 C SER A 135 -4.111 13.880 -3.920 1.00 43.10 C ATOM 1567 O SER A 135 -4.666 14.976 -3.851 1.00 11.12 O ATOM 1568 CB SER A 135 -2.942 13.097 -6.002 1.00 42.32 C ATOM 1569 OG SER A 135 -3.854 13.845 -6.797 1.00 3.13 O ATOM 0 H SER A 135 -2.041 11.944 -3.756 1.00 31.25 H new ATOM 0 HA SER A 135 -2.317 14.726 -4.725 1.00 24.32 H new ATOM 0 HB2 SER A 135 -1.980 13.035 -6.511 1.00 42.32 H new ATOM 0 HB3 SER A 135 -3.309 12.077 -5.888 1.00 42.32 H new ATOM 0 HG SER A 135 -3.953 13.416 -7.672 1.00 3.13 H new ATOM 1575 N SER A 136 -4.650 12.772 -3.407 1.00 55.44 N ATOM 1576 CA SER A 136 -5.979 12.778 -2.766 1.00 52.14 C ATOM 1577 C SER A 136 -5.941 12.219 -1.334 1.00 54.21 C ATOM 1578 O SER A 136 -6.730 12.627 -0.478 1.00 10.43 O ATOM 1579 CB SER A 136 -6.969 11.958 -3.607 1.00 63.21 C ATOM 1580 OG SER A 136 -8.260 11.931 -3.014 1.00 31.44 O ATOM 0 H SER A 136 -4.194 11.860 -3.420 1.00 55.44 H new ATOM 0 HA SER A 136 -6.303 13.817 -2.708 1.00 52.14 H new ATOM 0 HB2 SER A 136 -7.036 12.383 -4.608 1.00 63.21 H new ATOM 0 HB3 SER A 136 -6.597 10.939 -3.718 1.00 63.21 H new ATOM 0 HG SER A 136 -8.866 11.403 -3.574 1.00 31.44 H new ATOM 1586 N GLY A 137 -5.017 11.293 -1.078 1.00 25.22 N ATOM 1587 CA GLY A 137 -4.970 10.603 0.211 1.00 72.21 C ATOM 1588 C GLY A 137 -5.167 9.097 0.061 1.00 65.22 C ATOM 1589 O GLY A 137 -4.770 8.515 -0.952 1.00 51.31 O ATOM 0 H GLY A 137 -4.296 11.005 -1.740 1.00 25.22 H new ATOM 0 HA2 GLY A 137 -4.011 10.797 0.691 1.00 72.21 H new ATOM 0 HA3 GLY A 137 -5.742 11.006 0.866 1.00 72.21 H new ATOM 1593 N VAL A 138 -5.785 8.463 1.056 1.00 35.44 N ATOM 1594 CA VAL A 138 -6.028 7.013 1.015 1.00 31.54 C ATOM 1595 C VAL A 138 -7.020 6.635 -0.101 1.00 3.25 C ATOM 1596 O VAL A 138 -8.232 6.799 0.048 1.00 64.22 O ATOM 1597 CB VAL A 138 -6.562 6.495 2.374 1.00 30.52 C ATOM 1598 CG1 VAL A 138 -6.811 4.987 2.324 1.00 4.43 C ATOM 1599 CG2 VAL A 138 -5.599 6.855 3.505 1.00 4.42 C ATOM 0 H VAL A 138 -6.127 8.924 1.899 1.00 35.44 H new ATOM 0 HA VAL A 138 -5.069 6.540 0.805 1.00 31.54 H new ATOM 0 HB VAL A 138 -7.516 6.984 2.574 1.00 30.52 H new ATOM 0 HG11 VAL A 138 -7.185 4.648 3.290 1.00 4.43 H new ATOM 0 HG12 VAL A 138 -7.547 4.765 1.551 1.00 4.43 H new ATOM 0 HG13 VAL A 138 -5.878 4.472 2.095 1.00 4.43 H new ATOM 0 HG21 VAL A 138 -5.993 6.482 4.451 1.00 4.42 H new ATOM 0 HG22 VAL A 138 -4.626 6.402 3.313 1.00 4.42 H new ATOM 0 HG23 VAL A 138 -5.490 7.938 3.559 1.00 4.42 H new ATOM 1609 N ILE A 139 -6.499 6.138 -1.225 1.00 13.40 N ATOM 1610 CA ILE A 139 -7.330 5.794 -2.389 1.00 61.31 C ATOM 1611 C ILE A 139 -6.919 4.450 -3.020 1.00 53.22 C ATOM 1612 O ILE A 139 -5.956 3.813 -2.590 1.00 53.51 O ATOM 1613 CB ILE A 139 -7.243 6.889 -3.486 1.00 41.13 C ATOM 1614 CG1 ILE A 139 -5.805 6.996 -4.035 1.00 21.44 C ATOM 1615 CG2 ILE A 139 -7.715 8.237 -2.948 1.00 22.42 C ATOM 1616 CD1 ILE A 139 -5.656 7.984 -5.174 1.00 3.25 C ATOM 0 H ILE A 139 -5.503 5.963 -1.357 1.00 13.40 H new ATOM 0 HA ILE A 139 -8.351 5.717 -2.015 1.00 61.31 H new ATOM 0 HB ILE A 139 -7.903 6.601 -4.305 1.00 41.13 H new ATOM 0 HG12 ILE A 139 -5.137 7.288 -3.224 1.00 21.44 H new ATOM 0 HG13 ILE A 139 -5.482 6.012 -4.375 1.00 21.44 H new ATOM 0 HG21 ILE A 139 -7.645 8.988 -3.735 1.00 22.42 H new ATOM 0 HG22 ILE A 139 -8.750 8.154 -2.617 1.00 22.42 H new ATOM 0 HG23 ILE A 139 -7.088 8.533 -2.107 1.00 22.42 H new ATOM 0 HD11 ILE A 139 -4.618 8.003 -5.506 1.00 3.25 H new ATOM 0 HD12 ILE A 139 -6.296 7.683 -6.003 1.00 3.25 H new ATOM 0 HD13 ILE A 139 -5.946 8.978 -4.834 1.00 3.25 H new ATOM 1628 N ILE A 140 -7.669 4.029 -4.040 1.00 4.24 N ATOM 1629 CA ILE A 140 -7.331 2.836 -4.829 1.00 4.55 C ATOM 1630 C ILE A 140 -7.102 3.203 -6.306 1.00 3.20 C ATOM 1631 O ILE A 140 -7.995 3.740 -6.968 1.00 11.31 O ATOM 1632 CB ILE A 140 -8.448 1.758 -4.745 1.00 33.32 C ATOM 1633 CG1 ILE A 140 -8.661 1.315 -3.288 1.00 5.41 C ATOM 1634 CG2 ILE A 140 -8.110 0.558 -5.633 1.00 3.42 C ATOM 1635 CD1 ILE A 140 -9.728 0.251 -3.117 1.00 55.14 C ATOM 0 H ILE A 140 -8.522 4.499 -4.343 1.00 4.24 H new ATOM 0 HA ILE A 140 -6.414 2.427 -4.406 1.00 4.55 H new ATOM 0 HB ILE A 140 -9.377 2.197 -5.108 1.00 33.32 H new ATOM 0 HG12 ILE A 140 -7.718 0.937 -2.892 1.00 5.41 H new ATOM 0 HG13 ILE A 140 -8.931 2.185 -2.690 1.00 5.41 H new ATOM 0 HG21 ILE A 140 -8.905 -0.184 -5.559 1.00 3.42 H new ATOM 0 HG22 ILE A 140 -8.015 0.887 -6.668 1.00 3.42 H new ATOM 0 HG23 ILE A 140 -7.169 0.116 -5.305 1.00 3.42 H new ATOM 0 HD11 ILE A 140 -9.818 -0.008 -2.062 1.00 55.14 H new ATOM 0 HD12 ILE A 140 -10.683 0.631 -3.480 1.00 55.14 H new ATOM 0 HD13 ILE A 140 -9.451 -0.637 -3.686 1.00 55.14 H new ATOM 1647 N SER A 141 -5.908 2.915 -6.825 1.00 42.41 N ATOM 1648 CA SER A 141 -5.591 3.191 -8.240 1.00 13.34 C ATOM 1649 C SER A 141 -5.158 1.913 -8.974 1.00 12.55 C ATOM 1650 O SER A 141 -5.084 0.835 -8.380 1.00 45.52 O ATOM 1651 CB SER A 141 -4.497 4.267 -8.360 1.00 65.31 C ATOM 1652 OG SER A 141 -3.293 3.862 -7.729 1.00 35.52 O ATOM 0 H SER A 141 -5.144 2.493 -6.297 1.00 42.41 H new ATOM 0 HA SER A 141 -6.500 3.565 -8.711 1.00 13.34 H new ATOM 0 HB2 SER A 141 -4.304 4.475 -9.413 1.00 65.31 H new ATOM 0 HB3 SER A 141 -4.849 5.196 -7.911 1.00 65.31 H new ATOM 0 HG SER A 141 -2.950 3.055 -8.167 1.00 35.52 H new ATOM 1658 N SER A 142 -4.880 2.035 -10.273 1.00 41.33 N ATOM 1659 CA SER A 142 -4.516 0.876 -11.105 1.00 44.33 C ATOM 1660 C SER A 142 -3.215 1.108 -11.879 1.00 43.44 C ATOM 1661 O SER A 142 -2.859 2.245 -12.186 1.00 65.34 O ATOM 1662 CB SER A 142 -5.639 0.557 -12.101 1.00 65.51 C ATOM 1663 OG SER A 142 -5.257 -0.480 -12.995 1.00 0.34 O ATOM 0 H SER A 142 -4.899 2.922 -10.776 1.00 41.33 H new ATOM 0 HA SER A 142 -4.367 0.036 -10.427 1.00 44.33 H new ATOM 0 HB2 SER A 142 -6.536 0.260 -11.558 1.00 65.51 H new ATOM 0 HB3 SER A 142 -5.891 1.454 -12.667 1.00 65.51 H new ATOM 0 HG SER A 142 -6.058 -0.882 -13.391 1.00 0.34 H new ATOM 1669 N MET A 143 -2.522 0.018 -12.206 1.00 54.31 N ATOM 1670 CA MET A 143 -1.302 0.072 -13.031 1.00 30.52 C ATOM 1671 C MET A 143 -1.590 0.674 -14.419 1.00 24.42 C ATOM 1672 O MET A 143 -0.681 1.129 -15.113 1.00 13.20 O ATOM 1673 CB MET A 143 -0.716 -1.337 -13.202 1.00 22.50 C ATOM 1674 CG MET A 143 -0.204 -1.960 -11.913 1.00 11.43 C ATOM 1675 SD MET A 143 1.220 -1.081 -11.246 1.00 32.45 S ATOM 1676 CE MET A 143 1.614 -2.101 -9.833 1.00 12.04 C ATOM 0 H MET A 143 -2.782 -0.923 -11.912 1.00 54.31 H new ATOM 0 HA MET A 143 -0.584 0.711 -12.517 1.00 30.52 H new ATOM 0 HB2 MET A 143 -1.480 -1.987 -13.628 1.00 22.50 H new ATOM 0 HB3 MET A 143 0.102 -1.293 -13.921 1.00 22.50 H new ATOM 0 HG2 MET A 143 -1.004 -1.966 -11.172 1.00 11.43 H new ATOM 0 HG3 MET A 143 0.067 -2.999 -12.097 1.00 11.43 H new ATOM 0 HE1 MET A 143 2.613 -1.854 -9.473 1.00 12.04 H new ATOM 0 HE2 MET A 143 0.888 -1.921 -9.040 1.00 12.04 H new ATOM 0 HE3 MET A 143 1.582 -3.151 -10.122 1.00 12.04 H new ATOM 1686 N ASN A 144 -2.860 0.651 -14.820 1.00 23.23 N ATOM 1687 CA ASN A 144 -3.285 1.216 -16.105 1.00 65.10 C ATOM 1688 C ASN A 144 -3.106 2.742 -16.140 1.00 34.11 C ATOM 1689 O ASN A 144 -2.969 3.338 -17.212 1.00 32.43 O ATOM 1690 CB ASN A 144 -4.754 0.865 -16.364 1.00 13.03 C ATOM 1691 CG ASN A 144 -4.986 -0.630 -16.485 1.00 61.12 C ATOM 1692 OD1 ASN A 144 -4.146 -1.365 -16.995 1.00 22.11 O ATOM 1693 ND2 ASN A 144 -6.125 -1.096 -16.011 1.00 12.03 N ATOM 0 H ASN A 144 -3.618 0.245 -14.272 1.00 23.23 H new ATOM 0 HA ASN A 144 -2.656 0.785 -16.884 1.00 65.10 H new ATOM 0 HB2 ASN A 144 -5.366 1.259 -15.553 1.00 13.03 H new ATOM 0 HB3 ASN A 144 -5.085 1.355 -17.280 1.00 13.03 H new ATOM 0 HD21 ASN A 144 -6.328 -2.094 -16.062 1.00 12.03 H new ATOM 0 HD22 ASN A 144 -6.802 -0.458 -15.593 1.00 12.03 H new ATOM 1700 N GLU A 145 -3.102 3.368 -14.967 1.00 41.21 N ATOM 1701 CA GLU A 145 -3.001 4.825 -14.863 1.00 73.53 C ATOM 1702 C GLU A 145 -1.590 5.325 -15.229 1.00 42.41 C ATOM 1703 O GLU A 145 -0.588 4.794 -14.749 1.00 71.32 O ATOM 1704 CB GLU A 145 -3.368 5.271 -13.448 1.00 1.42 C ATOM 1705 CG GLU A 145 -4.767 4.847 -13.010 1.00 61.12 C ATOM 1706 CD GLU A 145 -5.861 5.361 -13.932 1.00 23.11 C ATOM 1707 OE1 GLU A 145 -6.187 6.564 -13.862 1.00 15.44 O ATOM 1708 OE2 GLU A 145 -6.402 4.567 -14.735 1.00 43.02 O ATOM 0 H GLU A 145 -3.168 2.888 -14.069 1.00 41.21 H new ATOM 0 HA GLU A 145 -3.701 5.262 -15.575 1.00 73.53 H new ATOM 0 HB2 GLU A 145 -2.639 4.862 -12.748 1.00 1.42 H new ATOM 0 HB3 GLU A 145 -3.293 6.357 -13.389 1.00 1.42 H new ATOM 0 HG2 GLU A 145 -4.815 3.759 -12.970 1.00 61.12 H new ATOM 0 HG3 GLU A 145 -4.951 5.211 -11.999 1.00 61.12 H new ATOM 1715 N PRO A 146 -1.509 6.383 -16.065 1.00 23.04 N ATOM 1716 CA PRO A 146 -0.238 6.889 -16.622 1.00 13.43 C ATOM 1717 C PRO A 146 0.913 7.017 -15.610 1.00 2.15 C ATOM 1718 O PRO A 146 2.005 6.491 -15.840 1.00 12.40 O ATOM 1719 CB PRO A 146 -0.628 8.268 -17.160 1.00 44.02 C ATOM 1720 CG PRO A 146 -2.059 8.119 -17.548 1.00 14.05 C ATOM 1721 CD PRO A 146 -2.666 7.174 -16.544 1.00 72.05 C ATOM 0 HA PRO A 146 0.159 6.194 -17.362 1.00 13.43 H new ATOM 0 HB2 PRO A 146 -0.499 9.042 -16.403 1.00 44.02 H new ATOM 0 HB3 PRO A 146 -0.012 8.551 -18.013 1.00 44.02 H new ATOM 0 HG2 PRO A 146 -2.569 9.082 -17.535 1.00 14.05 H new ATOM 0 HG3 PRO A 146 -2.150 7.724 -18.560 1.00 14.05 H new ATOM 0 HD2 PRO A 146 -3.149 7.712 -15.728 1.00 72.05 H new ATOM 0 HD3 PRO A 146 -3.425 6.538 -17.000 1.00 72.05 H new ATOM 1729 N TYR A 147 0.677 7.710 -14.494 1.00 25.22 N ATOM 1730 CA TYR A 147 1.748 7.978 -13.520 1.00 70.12 C ATOM 1731 C TYR A 147 2.325 6.681 -12.937 1.00 51.11 C ATOM 1732 O TYR A 147 3.541 6.529 -12.818 1.00 73.34 O ATOM 1733 CB TYR A 147 1.245 8.878 -12.379 1.00 60.22 C ATOM 1734 CG TYR A 147 2.310 9.195 -11.339 1.00 4.02 C ATOM 1735 CD1 TYR A 147 3.215 10.236 -11.534 1.00 74.02 C ATOM 1736 CD2 TYR A 147 2.421 8.445 -10.170 1.00 75.25 C ATOM 1737 CE1 TYR A 147 4.195 10.517 -10.599 1.00 50.10 C ATOM 1738 CE2 TYR A 147 3.397 8.723 -9.230 1.00 31.41 C ATOM 1739 CZ TYR A 147 4.281 9.758 -9.449 1.00 14.42 C ATOM 1740 OH TYR A 147 5.263 10.032 -8.518 1.00 24.52 O ATOM 0 H TYR A 147 -0.233 8.094 -14.240 1.00 25.22 H new ATOM 0 HA TYR A 147 2.542 8.495 -14.059 1.00 70.12 H new ATOM 0 HB2 TYR A 147 0.872 9.811 -12.801 1.00 60.22 H new ATOM 0 HB3 TYR A 147 0.403 8.391 -11.888 1.00 60.22 H new ATOM 0 HD1 TYR A 147 3.150 10.834 -12.431 1.00 74.02 H new ATOM 0 HD2 TYR A 147 1.732 7.632 -9.995 1.00 75.25 H new ATOM 0 HE1 TYR A 147 4.890 11.326 -10.768 1.00 50.10 H new ATOM 0 HE2 TYR A 147 3.466 8.132 -8.329 1.00 31.41 H new ATOM 0 HH TYR A 147 5.939 9.322 -8.537 1.00 24.52 H new ATOM 1750 N TRP A 148 1.448 5.749 -12.593 1.00 33.33 N ATOM 1751 CA TRP A 148 1.856 4.517 -11.911 1.00 32.32 C ATOM 1752 C TRP A 148 2.514 3.538 -12.890 1.00 4.42 C ATOM 1753 O TRP A 148 3.508 2.886 -12.565 1.00 20.41 O ATOM 1754 CB TRP A 148 0.640 3.876 -11.220 1.00 55.51 C ATOM 1755 CG TRP A 148 -0.054 4.831 -10.288 1.00 71.32 C ATOM 1756 CD1 TRP A 148 -1.287 5.395 -10.446 1.00 54.52 C ATOM 1757 CD2 TRP A 148 0.468 5.357 -9.064 1.00 43.41 C ATOM 1758 NE1 TRP A 148 -1.563 6.237 -9.398 1.00 65.42 N ATOM 1759 CE2 TRP A 148 -0.501 6.231 -8.533 1.00 33.23 C ATOM 1760 CE3 TRP A 148 1.659 5.169 -8.368 1.00 62.13 C ATOM 1761 CZ2 TRP A 148 -0.307 6.917 -7.339 1.00 0.10 C ATOM 1762 CZ3 TRP A 148 1.852 5.850 -7.181 1.00 72.25 C ATOM 1763 CH2 TRP A 148 0.873 6.714 -6.676 1.00 32.22 C ATOM 0 H TRP A 148 0.446 5.817 -12.773 1.00 33.33 H new ATOM 0 HA TRP A 148 2.597 4.766 -11.152 1.00 32.32 H new ATOM 0 HB2 TRP A 148 -0.066 3.532 -11.976 1.00 55.51 H new ATOM 0 HB3 TRP A 148 0.963 2.997 -10.662 1.00 55.51 H new ATOM 0 HD1 TRP A 148 -1.950 5.206 -11.277 1.00 54.52 H new ATOM 0 HE1 TRP A 148 -2.419 6.779 -9.282 1.00 65.42 H new ATOM 0 HE3 TRP A 148 2.419 4.503 -8.749 1.00 62.13 H new ATOM 0 HZ2 TRP A 148 -1.060 7.586 -6.949 1.00 0.10 H new ATOM 0 HZ3 TRP A 148 2.773 5.713 -6.634 1.00 72.25 H new ATOM 0 HH2 TRP A 148 1.052 7.231 -5.745 1.00 32.22 H new ATOM 1774 N LYS A 149 1.970 3.476 -14.099 1.00 13.31 N ATOM 1775 CA LYS A 149 2.499 2.617 -15.162 1.00 32.51 C ATOM 1776 C LYS A 149 3.998 2.866 -15.415 1.00 33.22 C ATOM 1777 O LYS A 149 4.786 1.926 -15.536 1.00 2.33 O ATOM 1778 CB LYS A 149 1.706 2.868 -16.452 1.00 42.51 C ATOM 1779 CG LYS A 149 2.093 1.970 -17.626 1.00 13.05 C ATOM 1780 CD LYS A 149 1.340 2.359 -18.899 1.00 14.53 C ATOM 1781 CE LYS A 149 -0.174 2.298 -18.713 1.00 42.22 C ATOM 1782 NZ LYS A 149 -0.900 2.771 -19.922 1.00 25.22 N ATOM 0 H LYS A 149 1.151 4.017 -14.374 1.00 13.31 H new ATOM 0 HA LYS A 149 2.390 1.580 -14.844 1.00 32.51 H new ATOM 0 HB2 LYS A 149 0.645 2.731 -16.242 1.00 42.51 H new ATOM 0 HB3 LYS A 149 1.841 3.908 -16.748 1.00 42.51 H new ATOM 0 HG2 LYS A 149 3.167 2.040 -17.801 1.00 13.05 H new ATOM 0 HG3 LYS A 149 1.878 0.931 -17.377 1.00 13.05 H new ATOM 0 HD2 LYS A 149 1.628 3.368 -19.196 1.00 14.53 H new ATOM 0 HD3 LYS A 149 1.632 1.692 -19.710 1.00 14.53 H new ATOM 0 HE2 LYS A 149 -0.471 1.274 -18.488 1.00 42.22 H new ATOM 0 HE3 LYS A 149 -0.460 2.908 -17.856 1.00 42.22 H new ATOM 0 HZ1 LYS A 149 -1.925 2.714 -19.756 1.00 25.22 H new ATOM 0 HZ2 LYS A 149 -0.636 3.757 -20.122 1.00 25.22 H new ATOM 0 HZ3 LYS A 149 -0.647 2.173 -20.735 1.00 25.22 H new ATOM 1796 N LYS A 150 4.388 4.139 -15.495 1.00 65.25 N ATOM 1797 CA LYS A 150 5.774 4.505 -15.826 1.00 53.13 C ATOM 1798 C LYS A 150 6.618 4.839 -14.579 1.00 72.01 C ATOM 1799 O LYS A 150 7.761 5.286 -14.699 1.00 72.20 O ATOM 1800 CB LYS A 150 5.775 5.691 -16.800 1.00 73.44 C ATOM 1801 CG LYS A 150 5.100 6.948 -16.254 1.00 51.42 C ATOM 1802 CD LYS A 150 5.045 8.062 -17.298 1.00 40.43 C ATOM 1803 CE LYS A 150 4.231 7.654 -18.522 1.00 15.33 C ATOM 1804 NZ LYS A 150 4.226 8.710 -19.571 1.00 63.03 N ATOM 0 H LYS A 150 3.769 4.934 -15.336 1.00 65.25 H new ATOM 0 HA LYS A 150 6.237 3.636 -16.294 1.00 53.13 H new ATOM 0 HB2 LYS A 150 6.805 5.930 -17.063 1.00 73.44 H new ATOM 0 HB3 LYS A 150 5.272 5.392 -17.720 1.00 73.44 H new ATOM 0 HG2 LYS A 150 4.089 6.705 -15.928 1.00 51.42 H new ATOM 0 HG3 LYS A 150 5.642 7.299 -15.376 1.00 51.42 H new ATOM 0 HD2 LYS A 150 4.608 8.956 -16.853 1.00 40.43 H new ATOM 0 HD3 LYS A 150 6.058 8.322 -17.606 1.00 40.43 H new ATOM 0 HE2 LYS A 150 4.640 6.733 -18.938 1.00 15.33 H new ATOM 0 HE3 LYS A 150 3.206 7.440 -18.220 1.00 15.33 H new ATOM 0 HZ1 LYS A 150 3.661 8.390 -20.383 1.00 63.03 H new ATOM 0 HZ2 LYS A 150 3.812 9.582 -19.184 1.00 63.03 H new ATOM 0 HZ3 LYS A 150 5.201 8.897 -19.880 1.00 63.03 H new ATOM 1818 N ARG A 151 6.054 4.640 -13.386 1.00 70.51 N ATOM 1819 CA ARG A 151 6.795 4.846 -12.124 1.00 42.13 C ATOM 1820 C ARG A 151 6.938 3.539 -11.331 1.00 13.32 C ATOM 1821 O ARG A 151 7.406 3.548 -10.190 1.00 24.14 O ATOM 1822 CB ARG A 151 6.123 5.930 -11.253 1.00 54.51 C ATOM 1823 CG ARG A 151 6.655 7.344 -11.500 1.00 4.42 C ATOM 1824 CD ARG A 151 6.492 7.778 -12.949 1.00 2.43 C ATOM 1825 NE ARG A 151 7.168 9.041 -13.228 1.00 11.05 N ATOM 1826 CZ ARG A 151 8.103 9.187 -14.128 1.00 14.24 C ATOM 1827 NH1 ARG A 151 8.547 8.167 -14.798 1.00 64.21 N ATOM 1828 NH2 ARG A 151 8.611 10.355 -14.342 1.00 25.41 N ATOM 0 H ARG A 151 5.088 4.337 -13.259 1.00 70.51 H new ATOM 0 HA ARG A 151 7.794 5.188 -12.392 1.00 42.13 H new ATOM 0 HB2 ARG A 151 5.049 5.919 -11.441 1.00 54.51 H new ATOM 0 HB3 ARG A 151 6.265 5.677 -10.202 1.00 54.51 H new ATOM 0 HG2 ARG A 151 6.130 8.046 -10.852 1.00 4.42 H new ATOM 0 HG3 ARG A 151 7.709 7.386 -11.227 1.00 4.42 H new ATOM 0 HD2 ARG A 151 6.889 7.003 -13.605 1.00 2.43 H new ATOM 0 HD3 ARG A 151 5.431 7.878 -13.179 1.00 2.43 H new ATOM 0 HE ARG A 151 6.893 9.861 -12.686 1.00 11.05 H new ATOM 0 HH11 ARG A 151 8.165 7.237 -14.624 1.00 64.21 H new ATOM 0 HH12 ARG A 151 9.278 8.296 -15.498 1.00 64.21 H new ATOM 0 HH21 ARG A 151 8.282 11.160 -13.809 1.00 25.41 H new ATOM 0 HH22 ARG A 151 9.341 10.473 -15.044 1.00 25.41 H new ATOM 1842 N TYR A 152 6.536 2.425 -11.938 1.00 40.10 N ATOM 1843 CA TYR A 152 6.688 1.106 -11.320 1.00 45.11 C ATOM 1844 C TYR A 152 8.173 0.786 -11.048 1.00 54.54 C ATOM 1845 O TYR A 152 8.935 0.472 -11.967 1.00 70.04 O ATOM 1846 CB TYR A 152 6.064 0.033 -12.225 1.00 4.13 C ATOM 1847 CG TYR A 152 6.075 -1.367 -11.632 1.00 35.24 C ATOM 1848 CD1 TYR A 152 5.203 -1.720 -10.606 1.00 31.25 C ATOM 1849 CD2 TYR A 152 6.954 -2.337 -12.106 1.00 21.43 C ATOM 1850 CE1 TYR A 152 5.204 -2.994 -10.072 1.00 70.50 C ATOM 1851 CE2 TYR A 152 6.961 -3.615 -11.575 1.00 71.41 C ATOM 1852 CZ TYR A 152 6.085 -3.937 -10.560 1.00 31.14 C ATOM 1853 OH TYR A 152 6.085 -5.209 -10.034 1.00 22.00 O ATOM 0 H TYR A 152 6.101 2.408 -12.860 1.00 40.10 H new ATOM 0 HA TYR A 152 6.169 1.112 -10.362 1.00 45.11 H new ATOM 0 HB2 TYR A 152 5.034 0.314 -12.445 1.00 4.13 H new ATOM 0 HB3 TYR A 152 6.600 0.018 -13.174 1.00 4.13 H new ATOM 0 HD1 TYR A 152 4.513 -0.984 -10.220 1.00 31.25 H new ATOM 0 HD2 TYR A 152 7.641 -2.088 -12.901 1.00 21.43 H new ATOM 0 HE1 TYR A 152 4.519 -3.250 -9.277 1.00 70.50 H new ATOM 0 HE2 TYR A 152 7.649 -4.356 -11.954 1.00 71.41 H new ATOM 0 HH TYR A 152 6.764 -5.751 -10.488 1.00 22.00 H new ATOM 1863 N ASN A 153 8.576 0.884 -9.782 1.00 4.42 N ATOM 1864 CA ASN A 153 9.965 0.635 -9.378 1.00 73.03 C ATOM 1865 C ASN A 153 10.231 -0.875 -9.208 1.00 54.33 C ATOM 1866 O ASN A 153 11.219 -1.407 -9.725 1.00 22.43 O ATOM 1867 CB ASN A 153 10.258 1.388 -8.071 1.00 5.44 C ATOM 1868 CG ASN A 153 11.697 1.245 -7.610 1.00 44.04 C ATOM 1869 OD1 ASN A 153 12.567 2.012 -8.001 1.00 22.12 O ATOM 1870 ND2 ASN A 153 11.956 0.276 -6.759 1.00 40.45 N ATOM 0 H ASN A 153 7.957 1.136 -9.011 1.00 4.42 H new ATOM 0 HA ASN A 153 10.631 0.999 -10.160 1.00 73.03 H new ATOM 0 HB2 ASN A 153 10.031 2.445 -8.209 1.00 5.44 H new ATOM 0 HB3 ASN A 153 9.594 1.019 -7.289 1.00 5.44 H new ATOM 0 HD21 ASN A 153 12.904 0.147 -6.406 1.00 40.45 H new ATOM 0 HD22 ASN A 153 11.209 -0.347 -6.452 1.00 40.45 H new ATOM 1877 N GLU A 154 9.343 -1.545 -8.472 1.00 1.50 N ATOM 1878 CA GLU A 154 9.409 -3.002 -8.259 1.00 5.11 C ATOM 1879 C GLU A 154 8.282 -3.443 -7.314 1.00 55.50 C ATOM 1880 O GLU A 154 7.352 -2.678 -7.062 1.00 3.15 O ATOM 1881 CB GLU A 154 10.779 -3.426 -7.687 1.00 60.53 C ATOM 1882 CG GLU A 154 11.020 -3.004 -6.241 1.00 4.44 C ATOM 1883 CD GLU A 154 12.465 -3.198 -5.808 1.00 42.31 C ATOM 1884 OE1 GLU A 154 13.270 -2.260 -5.983 1.00 23.22 O ATOM 1885 OE2 GLU A 154 12.799 -4.291 -5.298 1.00 22.43 O ATOM 0 H GLU A 154 8.555 -1.098 -8.004 1.00 1.50 H new ATOM 0 HA GLU A 154 9.284 -3.492 -9.225 1.00 5.11 H new ATOM 0 HB2 GLU A 154 10.867 -4.510 -7.755 1.00 60.53 H new ATOM 0 HB3 GLU A 154 11.566 -3.003 -8.311 1.00 60.53 H new ATOM 0 HG2 GLU A 154 10.747 -1.956 -6.122 1.00 4.44 H new ATOM 0 HG3 GLU A 154 10.368 -3.580 -5.585 1.00 4.44 H new ATOM 1892 N ALA A 155 8.352 -4.668 -6.797 1.00 24.42 N ATOM 1893 CA ALA A 155 7.337 -5.157 -5.856 1.00 51.40 C ATOM 1894 C ALA A 155 7.925 -6.115 -4.806 1.00 1.45 C ATOM 1895 O ALA A 155 8.857 -6.870 -5.085 1.00 24.14 O ATOM 1896 CB ALA A 155 6.206 -5.832 -6.616 1.00 24.14 C ATOM 0 H ALA A 155 9.092 -5.337 -7.009 1.00 24.42 H new ATOM 0 HA ALA A 155 6.948 -4.293 -5.316 1.00 51.40 H new ATOM 0 HB1 ALA A 155 5.457 -6.192 -5.910 1.00 24.14 H new ATOM 0 HB2 ALA A 155 5.747 -5.116 -7.298 1.00 24.14 H new ATOM 0 HB3 ALA A 155 6.601 -6.673 -7.186 1.00 24.14 H new ATOM 1902 N ARG A 156 7.363 -6.070 -3.599 1.00 31.31 N ATOM 1903 CA ARG A 156 7.798 -6.910 -2.472 1.00 13.44 C ATOM 1904 C ARG A 156 6.578 -7.471 -1.722 1.00 13.43 C ATOM 1905 O ARG A 156 5.710 -6.710 -1.304 1.00 73.30 O ATOM 1906 CB ARG A 156 8.640 -6.075 -1.486 1.00 43.20 C ATOM 1907 CG ARG A 156 9.899 -5.454 -2.085 1.00 13.11 C ATOM 1908 CD ARG A 156 10.987 -6.492 -2.335 1.00 52.41 C ATOM 1909 NE ARG A 156 12.141 -5.916 -3.024 1.00 61.32 N ATOM 1910 CZ ARG A 156 13.385 -6.190 -2.743 1.00 11.30 C ATOM 1911 NH1 ARG A 156 13.687 -6.983 -1.762 1.00 42.11 N ATOM 1912 NH2 ARG A 156 14.326 -5.650 -3.443 1.00 62.14 N ATOM 0 H ARG A 156 6.588 -5.448 -3.369 1.00 31.31 H new ATOM 0 HA ARG A 156 8.395 -7.731 -2.869 1.00 13.44 H new ATOM 0 HB2 ARG A 156 8.016 -5.278 -1.082 1.00 43.20 H new ATOM 0 HB3 ARG A 156 8.928 -6.710 -0.648 1.00 43.20 H new ATOM 0 HG2 ARG A 156 9.648 -4.960 -3.023 1.00 13.11 H new ATOM 0 HG3 ARG A 156 10.279 -4.686 -1.412 1.00 13.11 H new ATOM 0 HD2 ARG A 156 11.307 -6.919 -1.384 1.00 52.41 H new ATOM 0 HD3 ARG A 156 10.579 -7.309 -2.930 1.00 52.41 H new ATOM 0 HE ARG A 156 11.960 -5.253 -3.778 1.00 61.32 H new ATOM 0 HH11 ARG A 156 12.947 -7.402 -1.198 1.00 42.11 H new ATOM 0 HH12 ARG A 156 14.664 -7.188 -1.554 1.00 42.11 H new ATOM 0 HH21 ARG A 156 14.093 -5.016 -4.207 1.00 62.14 H new ATOM 0 HH22 ARG A 156 15.302 -5.857 -3.232 1.00 62.14 H new ATOM 1926 N ARG A 157 6.497 -8.789 -1.534 1.00 43.23 N ATOM 1927 CA ARG A 157 5.399 -9.356 -0.735 1.00 42.20 C ATOM 1928 C ARG A 157 5.917 -9.844 0.626 1.00 32.04 C ATOM 1929 O ARG A 157 6.700 -10.793 0.719 1.00 62.21 O ATOM 1930 CB ARG A 157 4.622 -10.463 -1.488 1.00 74.14 C ATOM 1931 CG ARG A 157 5.310 -11.823 -1.621 1.00 13.34 C ATOM 1932 CD ARG A 157 6.570 -11.773 -2.478 1.00 61.32 C ATOM 1933 NE ARG A 157 7.053 -13.114 -2.805 1.00 31.40 N ATOM 1934 CZ ARG A 157 7.600 -13.937 -1.952 1.00 14.23 C ATOM 1935 NH1 ARG A 157 7.731 -13.616 -0.700 1.00 3.01 N ATOM 1936 NH2 ARG A 157 8.000 -15.099 -2.354 1.00 53.35 N ATOM 0 H ARG A 157 7.156 -9.471 -1.910 1.00 43.23 H new ATOM 0 HA ARG A 157 4.680 -8.556 -0.558 1.00 42.20 H new ATOM 0 HB2 ARG A 157 3.669 -10.613 -0.981 1.00 74.14 H new ATOM 0 HB3 ARG A 157 4.396 -10.098 -2.490 1.00 74.14 H new ATOM 0 HG2 ARG A 157 5.567 -12.192 -0.628 1.00 13.34 H new ATOM 0 HG3 ARG A 157 4.610 -12.537 -2.055 1.00 13.34 H new ATOM 0 HD2 ARG A 157 6.363 -11.226 -3.398 1.00 61.32 H new ATOM 0 HD3 ARG A 157 7.349 -11.224 -1.949 1.00 61.32 H new ATOM 0 HE ARG A 157 6.955 -13.429 -3.770 1.00 31.40 H new ATOM 0 HH11 ARG A 157 7.404 -12.708 -0.369 1.00 3.01 H new ATOM 0 HH12 ARG A 157 8.161 -14.272 -0.048 1.00 3.01 H new ATOM 0 HH21 ARG A 157 7.887 -15.367 -3.332 1.00 53.35 H new ATOM 0 HH22 ARG A 157 8.428 -15.748 -1.693 1.00 53.35 H new ATOM 1950 N VAL A 158 5.491 -9.147 1.680 1.00 4.42 N ATOM 1951 CA VAL A 158 5.982 -9.390 3.041 1.00 31.31 C ATOM 1952 C VAL A 158 5.150 -10.444 3.793 1.00 40.44 C ATOM 1953 O VAL A 158 5.591 -10.979 4.810 1.00 21.22 O ATOM 1954 CB VAL A 158 5.998 -8.072 3.855 1.00 23.12 C ATOM 1955 CG1 VAL A 158 6.971 -7.070 3.234 1.00 35.42 C ATOM 1956 CG2 VAL A 158 4.591 -7.474 3.946 1.00 62.13 C ATOM 0 H VAL A 158 4.799 -8.401 1.617 1.00 4.42 H new ATOM 0 HA VAL A 158 6.995 -9.778 2.940 1.00 31.31 H new ATOM 0 HB VAL A 158 6.337 -8.298 4.866 1.00 23.12 H new ATOM 0 HG11 VAL A 158 6.969 -6.150 3.819 1.00 35.42 H new ATOM 0 HG12 VAL A 158 7.975 -7.494 3.228 1.00 35.42 H new ATOM 0 HG13 VAL A 158 6.664 -6.850 2.212 1.00 35.42 H new ATOM 0 HG21 VAL A 158 4.625 -6.549 4.522 1.00 62.13 H new ATOM 0 HG22 VAL A 158 4.220 -7.264 2.943 1.00 62.13 H new ATOM 0 HG23 VAL A 158 3.925 -8.183 4.438 1.00 62.13 H new ATOM 1966 N LEU A 159 3.948 -10.732 3.294 1.00 24.42 N ATOM 1967 CA LEU A 159 3.070 -11.734 3.911 1.00 70.11 C ATOM 1968 C LEU A 159 3.614 -13.159 3.732 1.00 21.41 C ATOM 1969 O LEU A 159 4.346 -13.449 2.784 1.00 53.03 O ATOM 1970 CB LEU A 159 1.656 -11.644 3.317 1.00 31.40 C ATOM 1971 CG LEU A 159 0.865 -10.375 3.672 1.00 44.20 C ATOM 1972 CD1 LEU A 159 -0.467 -10.347 2.925 1.00 52.40 C ATOM 1973 CD2 LEU A 159 0.640 -10.290 5.184 1.00 42.55 C ATOM 0 H LEU A 159 3.557 -10.287 2.464 1.00 24.42 H new ATOM 0 HA LEU A 159 3.033 -11.518 4.979 1.00 70.11 H new ATOM 0 HB2 LEU A 159 1.733 -11.711 2.232 1.00 31.40 H new ATOM 0 HB3 LEU A 159 1.086 -12.511 3.650 1.00 31.40 H new ATOM 0 HG LEU A 159 1.447 -9.507 3.363 1.00 44.20 H new ATOM 0 HD11 LEU A 159 -1.013 -9.441 3.189 1.00 52.40 H new ATOM 0 HD12 LEU A 159 -0.282 -10.359 1.851 1.00 52.40 H new ATOM 0 HD13 LEU A 159 -1.058 -11.220 3.201 1.00 52.40 H new ATOM 0 HD21 LEU A 159 0.078 -9.386 5.418 1.00 42.55 H new ATOM 0 HD22 LEU A 159 0.078 -11.162 5.518 1.00 42.55 H new ATOM 0 HD23 LEU A 159 1.603 -10.261 5.694 1.00 42.55 H new