USER MOD reduce.3.24.130724 H: found=0, std=0, add=731, rem=0, adj=19 USER MOD reduce.3.24.130724 removed 731 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 39 HIS : no HD1:sc= -5.17! C(o=-5.4!,f=-5.3!) USER MOD Set 1.2: A 58 THR OG1 : rot -150:sc= -0.231 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -130:sc= -0.291 USER MOD Single : A 37 ASN : amide:sc= -0.383 X(o=-0.38,f=0) USER MOD Single : A 38 LYS NZ :NH3+ -153:sc= 0 (180deg=-0.531) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 43 GLN : amide:sc= -0.48 X(o=-0.48,f=-0.41) USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 SER OG : rot 180:sc= -0.522 USER MOD Single : A 52 THR OG1 : rot 136:sc= -5.62! USER MOD Single : A 55 SER OG : rot -122:sc= -2.71! USER MOD Single : A 57 SER OG : rot -156:sc= 0.317! USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= -0.509 USER MOD Single : A 68 THR OG1 : rot -27:sc= -6.33! USER MOD Single : A 69 ASN : amide:sc= -1.3 K(o=-1.3,f=-12!) USER MOD Single : A 70 ASN : amide:sc= -0.869 X(o=-0.87,f=-0.58) USER MOD Single : A 75 LYS NZ :NH3+ 167:sc=-0.00871 (180deg=-0.165) USER MOD Single : A 76 LYS NZ :NH3+ -170:sc= -0.0223 (180deg=-0.162) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 160:sc= -0.235 (180deg=-0.755) USER MOD Single : A 92 GLN : amide:sc= -3.46! C(o=-3.5!,f=-9.3!) USER MOD Single : A 100 TYR OH : rot 180:sc= -0.743 USER MOD Single : A 102 TYR OH : rot 19:sc= -0.905! USER MOD Single : A 103 HIS :FLIP no HD1:sc= -0.909 F(o=-2.5!,f=-0.91) USER MOD Single : A 107 LYS NZ :NH3+ -159:sc= 1.05 (180deg=0.958) USER MOD ----------------------------------------------------------------- ATOM 75 N PRO A 29 -8.039 3.139 -0.939 1.00 1.75 N ATOM 76 CA PRO A 29 -7.567 1.801 -1.330 1.00 1.73 C ATOM 77 C PRO A 29 -6.561 1.857 -2.480 1.00 1.12 C ATOM 78 O PRO A 29 -6.943 2.095 -3.624 1.00 0.97 O ATOM 79 CB PRO A 29 -8.855 1.105 -1.809 1.00 2.28 C ATOM 80 CG PRO A 29 -9.988 1.936 -1.307 1.00 2.24 C ATOM 81 CD PRO A 29 -9.467 3.336 -1.223 1.00 1.93 C ATOM 0 HA PRO A 29 -7.055 1.294 -0.512 1.00 1.73 H new ATOM 0 HB2 PRO A 29 -8.877 1.033 -2.896 1.00 2.28 H new ATOM 0 HB3 PRO A 29 -8.916 0.088 -1.421 1.00 2.28 H new ATOM 0 HG2 PRO A 29 -10.843 1.878 -1.981 1.00 2.24 H new ATOM 0 HG3 PRO A 29 -10.326 1.586 -0.332 1.00 2.24 H new ATOM 0 HD2 PRO A 29 -9.622 3.881 -2.154 1.00 1.93 H new ATOM 0 HD3 PRO A 29 -9.961 3.904 -0.435 1.00 1.93 H new ATOM 89 N ARG A 30 -5.279 1.620 -2.178 1.00 1.14 N ATOM 90 CA ARG A 30 -4.240 1.639 -3.210 1.00 0.83 C ATOM 91 C ARG A 30 -2.850 1.396 -2.616 1.00 0.77 C ATOM 92 O ARG A 30 -2.665 1.458 -1.401 1.00 1.19 O ATOM 93 CB ARG A 30 -4.248 2.963 -3.978 1.00 1.44 C ATOM 94 CG ARG A 30 -3.903 4.168 -3.120 1.00 2.12 C ATOM 95 CD ARG A 30 -3.929 5.450 -3.935 1.00 2.57 C ATOM 96 NE ARG A 30 -5.287 5.834 -4.307 1.00 3.02 N ATOM 97 CZ ARG A 30 -5.568 6.668 -5.303 1.00 3.70 C ATOM 98 NH1 ARG A 30 -4.590 7.194 -6.026 1.00 4.01 N ATOM 99 NH2 ARG A 30 -6.829 6.975 -5.577 1.00 4.42 N ATOM 0 H ARG A 30 -4.940 1.415 -1.238 1.00 1.14 H new ATOM 0 HA ARG A 30 -4.466 0.827 -3.902 1.00 0.83 H new ATOM 0 HB2 ARG A 30 -3.537 2.899 -4.802 1.00 1.44 H new ATOM 0 HB3 ARG A 30 -5.234 3.112 -4.418 1.00 1.44 H new ATOM 0 HG2 ARG A 30 -4.611 4.244 -2.295 1.00 2.12 H new ATOM 0 HG3 ARG A 30 -2.915 4.034 -2.681 1.00 2.12 H new ATOM 0 HD2 ARG A 30 -3.469 6.254 -3.360 1.00 2.57 H new ATOM 0 HD3 ARG A 30 -3.330 5.319 -4.836 1.00 2.57 H new ATOM 0 HE ARG A 30 -6.063 5.441 -3.774 1.00 3.02 H new ATOM 0 HH11 ARG A 30 -3.619 6.959 -5.819 1.00 4.01 H new ATOM 0 HH12 ARG A 30 -4.808 7.834 -6.790 1.00 4.01 H new ATOM 0 HH21 ARG A 30 -7.584 6.571 -5.023 1.00 4.42 H new ATOM 0 HH22 ARG A 30 -7.043 7.615 -6.342 1.00 4.42 H new ATOM 113 N LEU A 31 -1.855 1.178 -3.472 1.00 0.67 N ATOM 114 CA LEU A 31 -0.490 1.022 -2.987 1.00 0.66 C ATOM 115 C LEU A 31 -0.069 2.344 -2.352 1.00 0.79 C ATOM 116 O LEU A 31 -0.233 3.409 -2.950 1.00 1.21 O ATOM 117 CB LEU A 31 0.466 0.654 -4.134 1.00 0.92 C ATOM 118 CG LEU A 31 1.936 1.050 -3.944 1.00 0.91 C ATOM 119 CD1 LEU A 31 2.442 0.616 -2.581 1.00 1.49 C ATOM 120 CD2 LEU A 31 2.793 0.453 -5.049 1.00 1.39 C ATOM 0 H LEU A 31 -1.965 1.107 -4.484 1.00 0.67 H new ATOM 0 HA LEU A 31 -0.447 0.213 -2.257 1.00 0.66 H new ATOM 0 HB2 LEU A 31 0.419 -0.424 -4.287 1.00 0.92 H new ATOM 0 HB3 LEU A 31 0.101 1.122 -5.048 1.00 0.92 H new ATOM 0 HG LEU A 31 2.007 2.136 -3.999 1.00 0.91 H new ATOM 0 HD11 LEU A 31 3.486 0.908 -2.471 1.00 1.49 H new ATOM 0 HD12 LEU A 31 1.847 1.094 -1.803 1.00 1.49 H new ATOM 0 HD13 LEU A 31 2.356 -0.467 -2.489 1.00 1.49 H new ATOM 0 HD21 LEU A 31 3.833 0.743 -4.900 1.00 1.39 H new ATOM 0 HD22 LEU A 31 2.712 -0.634 -5.025 1.00 1.39 H new ATOM 0 HD23 LEU A 31 2.449 0.821 -6.016 1.00 1.39 H new ATOM 132 N SER A 32 0.454 2.276 -1.144 1.00 0.65 N ATOM 133 CA SER A 32 0.876 3.468 -0.428 1.00 0.88 C ATOM 134 C SER A 32 2.391 3.528 -0.292 1.00 0.67 C ATOM 135 O SER A 32 3.048 2.520 -0.034 1.00 1.05 O ATOM 136 CB SER A 32 0.224 3.504 0.953 1.00 1.42 C ATOM 137 OG SER A 32 -1.187 3.577 0.850 1.00 1.57 O ATOM 0 H SER A 32 0.598 1.405 -0.634 1.00 0.65 H new ATOM 0 HA SER A 32 0.557 4.337 -1.003 1.00 0.88 H new ATOM 0 HB2 SER A 32 0.505 2.613 1.514 1.00 1.42 H new ATOM 0 HB3 SER A 32 0.596 4.363 1.512 1.00 1.42 H new ATOM 0 HG SER A 32 -1.580 3.597 1.748 1.00 1.57 H new ATOM 143 N VAL A 33 2.940 4.723 -0.465 1.00 0.65 N ATOM 144 CA VAL A 33 4.376 4.924 -0.358 1.00 0.78 C ATOM 145 C VAL A 33 4.687 6.218 0.382 1.00 0.74 C ATOM 146 O VAL A 33 4.464 7.313 -0.136 1.00 1.28 O ATOM 147 CB VAL A 33 5.040 4.954 -1.744 1.00 1.59 C ATOM 148 CG1 VAL A 33 4.822 3.632 -2.465 1.00 2.53 C ATOM 149 CG2 VAL A 33 4.510 6.116 -2.571 1.00 2.05 C ATOM 0 H VAL A 33 2.411 5.568 -0.680 1.00 0.65 H new ATOM 0 HA VAL A 33 4.780 4.083 0.205 1.00 0.78 H new ATOM 0 HB VAL A 33 6.112 5.099 -1.610 1.00 1.59 H new ATOM 0 HG11 VAL A 33 5.298 3.669 -3.445 1.00 2.53 H new ATOM 0 HG12 VAL A 33 5.258 2.822 -1.880 1.00 2.53 H new ATOM 0 HG13 VAL A 33 3.753 3.456 -2.587 1.00 2.53 H new ATOM 0 HG21 VAL A 33 4.994 6.118 -3.548 1.00 2.05 H new ATOM 0 HG22 VAL A 33 3.433 6.010 -2.700 1.00 2.05 H new ATOM 0 HG23 VAL A 33 4.723 7.054 -2.059 1.00 2.05 H new ATOM 159 N PHE A 34 5.190 6.084 1.604 1.00 0.53 N ATOM 160 CA PHE A 34 5.518 7.241 2.430 1.00 0.78 C ATOM 161 C PHE A 34 6.886 7.088 3.076 1.00 0.52 C ATOM 162 O PHE A 34 7.432 5.989 3.145 1.00 0.90 O ATOM 163 CB PHE A 34 4.461 7.447 3.519 1.00 1.43 C ATOM 164 CG PHE A 34 3.831 6.173 4.009 1.00 1.74 C ATOM 165 CD1 PHE A 34 3.026 5.418 3.171 1.00 1.73 C ATOM 166 CD2 PHE A 34 4.040 5.735 5.306 1.00 2.51 C ATOM 167 CE1 PHE A 34 2.441 4.250 3.616 1.00 2.58 C ATOM 168 CE2 PHE A 34 3.458 4.565 5.758 1.00 3.37 C ATOM 169 CZ PHE A 34 2.659 3.821 4.912 1.00 3.43 C ATOM 0 H PHE A 34 5.380 5.184 2.046 1.00 0.53 H new ATOM 0 HA PHE A 34 5.536 8.113 1.776 1.00 0.78 H new ATOM 0 HB2 PHE A 34 4.920 7.961 4.363 1.00 1.43 H new ATOM 0 HB3 PHE A 34 3.680 8.102 3.133 1.00 1.43 H new ATOM 0 HD1 PHE A 34 2.854 5.748 2.157 1.00 1.73 H new ATOM 0 HD2 PHE A 34 4.664 6.313 5.971 1.00 2.51 H new ATOM 0 HE1 PHE A 34 1.814 3.672 2.953 1.00 2.58 H new ATOM 0 HE2 PHE A 34 3.628 4.233 6.772 1.00 3.37 H new ATOM 0 HZ PHE A 34 2.205 2.906 5.262 1.00 3.43 H new ATOM 179 N ARG A 35 7.428 8.198 3.560 1.00 0.77 N ATOM 180 CA ARG A 35 8.727 8.188 4.215 1.00 0.81 C ATOM 181 C ARG A 35 8.561 8.103 5.728 1.00 0.85 C ATOM 182 O ARG A 35 8.093 9.047 6.365 1.00 1.32 O ATOM 183 CB ARG A 35 9.526 9.436 3.840 1.00 1.41 C ATOM 184 CG ARG A 35 9.918 9.488 2.373 1.00 2.08 C ATOM 185 CD ARG A 35 10.755 10.717 2.063 1.00 2.72 C ATOM 186 NE ARG A 35 10.008 11.955 2.267 1.00 3.21 N ATOM 187 CZ ARG A 35 10.365 13.123 1.743 1.00 3.85 C ATOM 188 NH1 ARG A 35 11.450 13.209 0.988 1.00 4.13 N ATOM 189 NH2 ARG A 35 9.635 14.205 1.972 1.00 4.60 N ATOM 0 H ARG A 35 6.987 9.116 3.511 1.00 0.77 H new ATOM 0 HA ARG A 35 9.275 7.309 3.875 1.00 0.81 H new ATOM 0 HB2 ARG A 35 8.937 10.321 4.082 1.00 1.41 H new ATOM 0 HB3 ARG A 35 10.428 9.477 4.450 1.00 1.41 H new ATOM 0 HG2 ARG A 35 10.478 8.590 2.113 1.00 2.08 H new ATOM 0 HG3 ARG A 35 9.020 9.493 1.755 1.00 2.08 H new ATOM 0 HD2 ARG A 35 11.642 10.720 2.697 1.00 2.72 H new ATOM 0 HD3 ARG A 35 11.101 10.669 1.031 1.00 2.72 H new ATOM 0 HE ARG A 35 9.167 11.922 2.843 1.00 3.21 H new ATOM 0 HH11 ARG A 35 12.013 12.378 0.808 1.00 4.13 H new ATOM 0 HH12 ARG A 35 11.722 14.106 0.587 1.00 4.13 H new ATOM 0 HH21 ARG A 35 8.798 14.142 2.551 1.00 4.60 H new ATOM 0 HH22 ARG A 35 9.910 15.101 1.569 1.00 4.60 H new ATOM 203 N SER A 36 8.939 6.964 6.295 1.00 0.55 N ATOM 204 CA SER A 36 8.827 6.750 7.730 1.00 0.74 C ATOM 205 C SER A 36 10.009 7.363 8.482 1.00 0.79 C ATOM 206 O SER A 36 11.012 6.696 8.734 1.00 1.07 O ATOM 207 CB SER A 36 8.731 5.252 8.038 1.00 0.84 C ATOM 208 OG SER A 36 7.402 4.882 8.362 1.00 1.50 O ATOM 0 H SER A 36 9.327 6.173 5.780 1.00 0.55 H new ATOM 0 HA SER A 36 7.918 7.246 8.069 1.00 0.74 H new ATOM 0 HB2 SER A 36 9.072 4.678 7.176 1.00 0.84 H new ATOM 0 HB3 SER A 36 9.393 5.005 8.868 1.00 0.84 H new ATOM 0 HG SER A 36 7.400 4.365 9.194 1.00 1.50 H new ATOM 214 N ASN A 37 9.874 8.636 8.848 1.00 1.08 N ATOM 215 CA ASN A 37 10.918 9.347 9.585 1.00 1.18 C ATOM 216 C ASN A 37 12.182 9.540 8.738 1.00 1.17 C ATOM 217 O ASN A 37 12.289 10.514 7.994 1.00 1.97 O ATOM 218 CB ASN A 37 11.245 8.608 10.888 1.00 1.30 C ATOM 219 CG ASN A 37 10.066 8.546 11.842 1.00 1.89 C ATOM 220 OD1 ASN A 37 9.778 7.497 12.419 1.00 2.57 O ATOM 221 ND2 ASN A 37 9.386 9.672 12.029 1.00 2.42 N ATOM 0 H ASN A 37 9.048 9.199 8.645 1.00 1.08 H new ATOM 0 HA ASN A 37 10.537 10.339 9.828 1.00 1.18 H new ATOM 0 HB2 ASN A 37 11.570 7.594 10.653 1.00 1.30 H new ATOM 0 HB3 ASN A 37 12.080 9.104 11.382 1.00 1.30 H new ATOM 0 HD21 ASN A 37 8.593 9.688 12.670 1.00 2.42 H new ATOM 0 HD22 ASN A 37 9.657 10.520 11.531 1.00 2.42 H new ATOM 228 N LYS A 38 13.143 8.622 8.857 1.00 0.96 N ATOM 229 CA LYS A 38 14.389 8.722 8.103 1.00 0.85 C ATOM 230 C LYS A 38 14.497 7.634 7.036 1.00 0.75 C ATOM 231 O LYS A 38 15.504 7.547 6.333 1.00 1.11 O ATOM 232 CB LYS A 38 15.591 8.628 9.047 1.00 0.86 C ATOM 233 CG LYS A 38 15.756 9.835 9.957 1.00 1.05 C ATOM 234 CD LYS A 38 14.770 9.813 11.117 1.00 1.75 C ATOM 235 CE LYS A 38 15.010 8.623 12.037 1.00 2.20 C ATOM 236 NZ LYS A 38 14.108 8.644 13.222 1.00 2.60 N ATOM 0 H LYS A 38 13.081 7.806 9.466 1.00 0.96 H new ATOM 0 HA LYS A 38 14.387 9.691 7.603 1.00 0.85 H new ATOM 0 HB2 LYS A 38 15.489 7.733 9.661 1.00 0.86 H new ATOM 0 HB3 LYS A 38 16.497 8.506 8.454 1.00 0.86 H new ATOM 0 HG2 LYS A 38 16.774 9.859 10.347 1.00 1.05 H new ATOM 0 HG3 LYS A 38 15.615 10.748 9.378 1.00 1.05 H new ATOM 0 HD2 LYS A 38 14.858 10.738 11.687 1.00 1.75 H new ATOM 0 HD3 LYS A 38 13.752 9.774 10.729 1.00 1.75 H new ATOM 0 HE2 LYS A 38 14.857 7.698 11.481 1.00 2.20 H new ATOM 0 HE3 LYS A 38 16.048 8.626 12.371 1.00 2.20 H new ATOM 0 HZ1 LYS A 38 14.562 8.144 14.013 1.00 2.60 H new ATOM 0 HZ2 LYS A 38 13.920 9.629 13.498 1.00 2.60 H new ATOM 0 HZ3 LYS A 38 13.211 8.174 12.984 1.00 2.60 H new ATOM 250 N HIS A 39 13.466 6.804 6.917 1.00 0.56 N ATOM 251 CA HIS A 39 13.470 5.729 5.937 1.00 0.60 C ATOM 252 C HIS A 39 12.216 5.792 5.075 1.00 0.52 C ATOM 253 O HIS A 39 11.245 6.457 5.427 1.00 0.67 O ATOM 254 CB HIS A 39 13.561 4.376 6.646 1.00 0.80 C ATOM 255 CG HIS A 39 14.509 4.372 7.805 1.00 1.26 C ATOM 256 ND1 HIS A 39 15.479 3.410 7.973 1.00 1.26 N ATOM 257 CD2 HIS A 39 14.629 5.213 8.862 1.00 1.99 C ATOM 258 CE1 HIS A 39 16.157 3.656 9.082 1.00 1.96 C ATOM 259 NE2 HIS A 39 15.660 4.745 9.639 1.00 2.40 N ATOM 0 H HIS A 39 12.621 6.856 7.486 1.00 0.56 H new ATOM 0 HA HIS A 39 14.339 5.847 5.290 1.00 0.60 H new ATOM 0 HB2 HIS A 39 12.569 4.091 6.997 1.00 0.80 H new ATOM 0 HB3 HIS A 39 13.875 3.619 5.928 1.00 0.80 H new ATOM 0 HD2 HIS A 39 14.026 6.088 9.056 1.00 1.99 H new ATOM 0 HE1 HIS A 39 16.977 3.067 9.466 1.00 1.96 H new ATOM 0 HE2 HIS A 39 15.989 5.170 10.506 1.00 2.40 H new ATOM 268 N ILE A 40 12.240 5.096 3.947 1.00 0.50 N ATOM 269 CA ILE A 40 11.095 5.078 3.043 1.00 0.51 C ATOM 270 C ILE A 40 10.253 3.826 3.252 1.00 0.46 C ATOM 271 O ILE A 40 10.671 2.716 2.924 1.00 0.68 O ATOM 272 CB ILE A 40 11.511 5.178 1.556 1.00 0.60 C ATOM 273 CG1 ILE A 40 12.900 4.575 1.321 1.00 1.21 C ATOM 274 CG2 ILE A 40 11.480 6.626 1.096 1.00 1.29 C ATOM 275 CD1 ILE A 40 12.989 3.099 1.644 1.00 2.23 C ATOM 0 H ILE A 40 13.035 4.538 3.636 1.00 0.50 H new ATOM 0 HA ILE A 40 10.502 5.960 3.285 1.00 0.51 H new ATOM 0 HB ILE A 40 10.794 4.603 0.969 1.00 0.60 H new ATOM 0 HG12 ILE A 40 13.180 4.727 0.278 1.00 1.21 H new ATOM 0 HG13 ILE A 40 13.627 5.114 1.928 1.00 1.21 H new ATOM 0 HG21 ILE A 40 11.775 6.681 0.048 1.00 1.29 H new ATOM 0 HG22 ILE A 40 10.471 7.023 1.210 1.00 1.29 H new ATOM 0 HG23 ILE A 40 12.172 7.214 1.699 1.00 1.29 H new ATOM 0 HD11 ILE A 40 14.002 2.745 1.452 1.00 2.23 H new ATOM 0 HD12 ILE A 40 12.742 2.941 2.694 1.00 2.23 H new ATOM 0 HD13 ILE A 40 12.287 2.547 1.019 1.00 2.23 H new ATOM 287 N TYR A 41 9.062 4.013 3.810 1.00 0.36 N ATOM 288 CA TYR A 41 8.162 2.910 4.078 1.00 0.31 C ATOM 289 C TYR A 41 7.346 2.543 2.859 1.00 0.36 C ATOM 290 O TYR A 41 6.570 3.348 2.343 1.00 0.46 O ATOM 291 CB TYR A 41 7.210 3.262 5.214 1.00 0.31 C ATOM 292 CG TYR A 41 6.676 2.049 5.935 1.00 0.33 C ATOM 293 CD1 TYR A 41 6.082 1.021 5.226 1.00 0.30 C ATOM 294 CD2 TYR A 41 6.743 1.939 7.324 1.00 0.48 C ATOM 295 CE1 TYR A 41 5.571 -0.084 5.866 1.00 0.38 C ATOM 296 CE2 TYR A 41 6.235 0.834 7.970 1.00 0.57 C ATOM 297 CZ TYR A 41 5.743 -0.192 7.282 1.00 0.53 C ATOM 298 OH TYR A 41 5.137 -1.280 7.881 1.00 0.63 O ATOM 0 H TYR A 41 8.701 4.926 4.085 1.00 0.36 H new ATOM 0 HA TYR A 41 8.780 2.057 4.357 1.00 0.31 H new ATOM 0 HB2 TYR A 41 7.727 3.903 5.928 1.00 0.31 H new ATOM 0 HB3 TYR A 41 6.375 3.837 4.815 1.00 0.31 H new ATOM 0 HD1 TYR A 41 6.018 1.087 4.150 1.00 0.30 H new ATOM 0 HD2 TYR A 41 7.199 2.731 7.900 1.00 0.48 H new ATOM 0 HE1 TYR A 41 5.052 -0.852 5.312 1.00 0.38 H new ATOM 0 HE2 TYR A 41 6.236 0.800 9.049 1.00 0.57 H new ATOM 0 HH TYR A 41 5.314 -1.263 8.845 1.00 0.63 H new ATOM 308 N ALA A 42 7.483 1.297 2.443 1.00 0.47 N ATOM 309 CA ALA A 42 6.714 0.789 1.330 1.00 0.60 C ATOM 310 C ALA A 42 5.514 0.065 1.905 1.00 0.48 C ATOM 311 O ALA A 42 5.686 -0.821 2.737 1.00 0.57 O ATOM 312 CB ALA A 42 7.554 -0.147 0.471 1.00 0.92 C ATOM 0 H ALA A 42 8.121 0.620 2.862 1.00 0.47 H new ATOM 0 HA ALA A 42 6.393 1.606 0.684 1.00 0.60 H new ATOM 0 HB1 ALA A 42 6.953 -0.516 -0.360 1.00 0.92 H new ATOM 0 HB2 ALA A 42 8.418 0.393 0.082 1.00 0.92 H new ATOM 0 HB3 ALA A 42 7.894 -0.988 1.075 1.00 0.92 H new ATOM 318 N GLN A 43 4.308 0.460 1.507 1.00 0.45 N ATOM 319 CA GLN A 43 3.101 -0.162 2.039 1.00 0.39 C ATOM 320 C GLN A 43 2.045 -0.339 0.967 1.00 0.40 C ATOM 321 O GLN A 43 1.593 0.633 0.385 1.00 0.51 O ATOM 322 CB GLN A 43 2.534 0.674 3.183 1.00 0.39 C ATOM 323 CG GLN A 43 1.209 0.153 3.716 1.00 0.99 C ATOM 324 CD GLN A 43 0.595 1.072 4.752 1.00 1.33 C ATOM 325 OE1 GLN A 43 0.847 0.934 5.950 1.00 2.05 O ATOM 326 NE2 GLN A 43 -0.216 2.020 4.294 1.00 1.85 N ATOM 0 H GLN A 43 4.142 1.200 0.825 1.00 0.45 H new ATOM 0 HA GLN A 43 3.378 -1.149 2.410 1.00 0.39 H new ATOM 0 HB2 GLN A 43 3.259 0.701 3.997 1.00 0.39 H new ATOM 0 HB3 GLN A 43 2.401 1.700 2.841 1.00 0.39 H new ATOM 0 HG2 GLN A 43 0.512 0.029 2.887 1.00 0.99 H new ATOM 0 HG3 GLN A 43 1.361 -0.833 4.155 1.00 0.99 H new ATOM 0 HE21 GLN A 43 -0.396 2.097 3.293 1.00 1.85 H new ATOM 0 HE22 GLN A 43 -0.658 2.670 4.943 1.00 1.85 H new ATOM 335 N ILE A 44 1.638 -1.578 0.710 1.00 0.43 N ATOM 336 CA ILE A 44 0.616 -1.821 -0.302 1.00 0.45 C ATOM 337 C ILE A 44 -0.714 -2.186 0.337 1.00 0.48 C ATOM 338 O ILE A 44 -0.807 -3.174 1.078 1.00 0.60 O ATOM 339 CB ILE A 44 0.987 -2.953 -1.293 1.00 0.49 C ATOM 340 CG1 ILE A 44 2.501 -3.210 -1.319 1.00 0.65 C ATOM 341 CG2 ILE A 44 0.471 -2.618 -2.695 1.00 0.51 C ATOM 342 CD1 ILE A 44 3.318 -2.024 -1.777 1.00 0.86 C ATOM 0 H ILE A 44 1.991 -2.413 1.177 1.00 0.43 H new ATOM 0 HA ILE A 44 0.540 -0.885 -0.855 1.00 0.45 H new ATOM 0 HB ILE A 44 0.507 -3.870 -0.949 1.00 0.49 H new ATOM 0 HG12 ILE A 44 2.827 -3.499 -0.320 1.00 0.65 H new ATOM 0 HG13 ILE A 44 2.705 -4.054 -1.977 1.00 0.65 H new ATOM 0 HG21 ILE A 44 0.738 -3.421 -3.382 1.00 0.51 H new ATOM 0 HG22 ILE A 44 -0.613 -2.509 -2.667 1.00 0.51 H new ATOM 0 HG23 ILE A 44 0.921 -1.685 -3.035 1.00 0.51 H new ATOM 0 HD11 ILE A 44 4.376 -2.286 -1.768 1.00 0.86 H new ATOM 0 HD12 ILE A 44 3.022 -1.747 -2.789 1.00 0.86 H new ATOM 0 HD13 ILE A 44 3.146 -1.183 -1.105 1.00 0.86 H new ATOM 354 N ILE A 45 -1.750 -1.409 0.014 1.00 0.52 N ATOM 355 CA ILE A 45 -3.088 -1.680 0.513 1.00 0.56 C ATOM 356 C ILE A 45 -4.034 -1.802 -0.676 1.00 0.54 C ATOM 357 O ILE A 45 -4.042 -0.947 -1.569 1.00 0.63 O ATOM 358 CB ILE A 45 -3.584 -0.619 1.527 1.00 0.69 C ATOM 359 CG1 ILE A 45 -5.100 -0.721 1.739 1.00 0.76 C ATOM 360 CG2 ILE A 45 -3.193 0.781 1.092 1.00 0.82 C ATOM 361 CD1 ILE A 45 -5.560 -2.101 2.157 1.00 1.19 C ATOM 0 H ILE A 45 -1.682 -0.590 -0.590 1.00 0.52 H new ATOM 0 HA ILE A 45 -3.064 -2.618 1.068 1.00 0.56 H new ATOM 0 HB ILE A 45 -3.097 -0.822 2.481 1.00 0.69 H new ATOM 0 HG12 ILE A 45 -5.402 -0.000 2.499 1.00 0.76 H new ATOM 0 HG13 ILE A 45 -5.608 -0.442 0.816 1.00 0.76 H new ATOM 0 HG21 ILE A 45 -3.555 1.504 1.823 1.00 0.82 H new ATOM 0 HG22 ILE A 45 -2.108 0.850 1.020 1.00 0.82 H new ATOM 0 HG23 ILE A 45 -3.635 0.997 0.119 1.00 0.82 H new ATOM 0 HD11 ILE A 45 -6.642 -2.099 2.289 1.00 1.19 H new ATOM 0 HD12 ILE A 45 -5.289 -2.823 1.387 1.00 1.19 H new ATOM 0 HD13 ILE A 45 -5.080 -2.375 3.097 1.00 1.19 H new ATOM 373 N ASP A 46 -4.797 -2.889 -0.700 1.00 0.53 N ATOM 374 CA ASP A 46 -5.699 -3.164 -1.816 1.00 0.59 C ATOM 375 C ASP A 46 -6.524 -1.969 -2.213 1.00 0.59 C ATOM 376 O ASP A 46 -6.714 -1.024 -1.448 1.00 0.62 O ATOM 377 CB ASP A 46 -6.638 -4.313 -1.495 1.00 0.68 C ATOM 378 CG ASP A 46 -7.433 -4.082 -0.226 1.00 0.66 C ATOM 379 OD1 ASP A 46 -6.941 -4.456 0.860 1.00 0.89 O ATOM 380 OD2 ASP A 46 -8.548 -3.526 -0.316 1.00 0.74 O ATOM 0 H ASP A 46 -4.810 -3.593 0.038 1.00 0.53 H new ATOM 0 HA ASP A 46 -5.053 -3.429 -2.653 1.00 0.59 H new ATOM 0 HB2 ASP A 46 -7.326 -4.458 -2.328 1.00 0.68 H new ATOM 0 HB3 ASP A 46 -6.060 -5.232 -1.395 1.00 0.68 H new ATOM 385 N ASP A 47 -6.992 -2.032 -3.453 1.00 0.86 N ATOM 386 CA ASP A 47 -7.784 -0.969 -4.021 1.00 0.96 C ATOM 387 C ASP A 47 -9.288 -1.257 -3.879 1.00 1.01 C ATOM 388 O ASP A 47 -9.803 -1.315 -2.763 1.00 0.96 O ATOM 389 CB ASP A 47 -7.364 -0.739 -5.481 1.00 1.17 C ATOM 390 CG ASP A 47 -7.273 -2.032 -6.262 1.00 1.66 C ATOM 391 OD1 ASP A 47 -6.267 -2.754 -6.096 1.00 2.45 O ATOM 392 OD2 ASP A 47 -8.202 -2.319 -7.043 1.00 1.96 O ATOM 0 H ASP A 47 -6.830 -2.818 -4.082 1.00 0.86 H new ATOM 0 HA ASP A 47 -7.599 -0.047 -3.469 1.00 0.96 H new ATOM 0 HB2 ASP A 47 -8.082 -0.075 -5.963 1.00 1.17 H new ATOM 0 HB3 ASP A 47 -6.398 -0.234 -5.504 1.00 1.17 H new ATOM 397 N THR A 48 -9.993 -1.430 -4.995 1.00 1.33 N ATOM 398 CA THR A 48 -11.427 -1.697 -4.956 1.00 1.52 C ATOM 399 C THR A 48 -11.730 -3.186 -5.094 1.00 1.57 C ATOM 400 O THR A 48 -12.837 -3.630 -4.787 1.00 1.64 O ATOM 401 CB THR A 48 -12.138 -0.914 -6.061 1.00 1.97 C ATOM 402 OG1 THR A 48 -11.697 -1.337 -7.339 1.00 2.28 O ATOM 403 CG2 THR A 48 -11.915 0.580 -5.970 1.00 2.12 C ATOM 0 H THR A 48 -9.596 -1.390 -5.934 1.00 1.33 H new ATOM 0 HA THR A 48 -11.797 -1.372 -3.984 1.00 1.52 H new ATOM 0 HB THR A 48 -13.200 -1.117 -5.923 1.00 1.97 H new ATOM 0 HG1 THR A 48 -12.165 -0.826 -8.032 1.00 2.28 H new ATOM 0 HG21 THR A 48 -12.446 1.077 -6.782 1.00 2.12 H new ATOM 0 HG22 THR A 48 -12.289 0.946 -5.014 1.00 2.12 H new ATOM 0 HG23 THR A 48 -10.849 0.794 -6.048 1.00 2.12 H new ATOM 411 N LYS A 49 -10.753 -3.955 -5.564 1.00 1.64 N ATOM 412 CA LYS A 49 -10.940 -5.388 -5.745 1.00 1.82 C ATOM 413 C LYS A 49 -10.262 -6.165 -4.627 1.00 2.06 C ATOM 414 O LYS A 49 -10.914 -6.898 -3.883 1.00 2.71 O ATOM 415 CB LYS A 49 -10.380 -5.829 -7.097 1.00 2.07 C ATOM 416 CG LYS A 49 -10.646 -7.290 -7.418 1.00 2.73 C ATOM 417 CD LYS A 49 -12.131 -7.563 -7.586 1.00 3.33 C ATOM 418 CE LYS A 49 -12.703 -6.808 -8.775 1.00 3.64 C ATOM 419 NZ LYS A 49 -14.161 -7.058 -8.943 1.00 4.26 N ATOM 0 H LYS A 49 -9.829 -3.611 -5.825 1.00 1.64 H new ATOM 0 HA LYS A 49 -12.009 -5.598 -5.716 1.00 1.82 H new ATOM 0 HB2 LYS A 49 -10.815 -5.208 -7.881 1.00 2.07 H new ATOM 0 HB3 LYS A 49 -9.304 -5.653 -7.110 1.00 2.07 H new ATOM 0 HG2 LYS A 49 -10.119 -7.564 -8.332 1.00 2.73 H new ATOM 0 HG3 LYS A 49 -10.248 -7.917 -6.620 1.00 2.73 H new ATOM 0 HD2 LYS A 49 -12.293 -8.633 -7.720 1.00 3.33 H new ATOM 0 HD3 LYS A 49 -12.661 -7.272 -6.679 1.00 3.33 H new ATOM 0 HE2 LYS A 49 -12.531 -5.740 -8.643 1.00 3.64 H new ATOM 0 HE3 LYS A 49 -12.177 -7.106 -9.682 1.00 3.64 H new ATOM 0 HZ1 LYS A 49 -14.512 -6.525 -9.764 1.00 4.26 H new ATOM 0 HZ2 LYS A 49 -14.324 -8.074 -9.094 1.00 4.26 H new ATOM 0 HZ3 LYS A 49 -14.667 -6.750 -8.088 1.00 4.26 H new ATOM 433 N SER A 50 -8.949 -5.997 -4.516 1.00 1.82 N ATOM 434 CA SER A 50 -8.168 -6.679 -3.490 1.00 2.14 C ATOM 435 C SER A 50 -6.677 -6.546 -3.769 1.00 1.89 C ATOM 436 O SER A 50 -6.271 -6.062 -4.824 1.00 2.60 O ATOM 437 CB SER A 50 -8.550 -8.160 -3.401 1.00 2.65 C ATOM 438 OG SER A 50 -7.593 -8.889 -2.652 1.00 3.31 O ATOM 0 H SER A 50 -8.401 -5.391 -5.127 1.00 1.82 H new ATOM 0 HA SER A 50 -8.392 -6.204 -2.535 1.00 2.14 H new ATOM 0 HB2 SER A 50 -9.531 -8.258 -2.937 1.00 2.65 H new ATOM 0 HB3 SER A 50 -8.628 -8.580 -4.404 1.00 2.65 H new ATOM 0 HG SER A 50 -7.860 -9.831 -2.608 1.00 3.31 H new ATOM 444 N ALA A 51 -5.878 -6.973 -2.800 1.00 1.33 N ATOM 445 CA ALA A 51 -4.422 -6.916 -2.881 1.00 1.15 C ATOM 446 C ALA A 51 -3.839 -7.157 -1.501 1.00 1.13 C ATOM 447 O ALA A 51 -4.518 -7.695 -0.626 1.00 1.56 O ATOM 448 CB ALA A 51 -3.952 -5.570 -3.419 1.00 1.20 C ATOM 0 H ALA A 51 -6.224 -7.372 -1.928 1.00 1.33 H new ATOM 0 HA ALA A 51 -4.079 -7.688 -3.570 1.00 1.15 H new ATOM 0 HB1 ALA A 51 -2.863 -5.558 -3.468 1.00 1.20 H new ATOM 0 HB2 ALA A 51 -4.362 -5.414 -4.417 1.00 1.20 H new ATOM 0 HB3 ALA A 51 -4.294 -4.774 -2.758 1.00 1.20 H new ATOM 454 N THR A 52 -2.600 -6.746 -1.290 1.00 1.05 N ATOM 455 CA THR A 52 -1.988 -6.917 0.008 1.00 1.07 C ATOM 456 C THR A 52 -2.326 -5.736 0.893 1.00 0.91 C ATOM 457 O THR A 52 -2.576 -4.638 0.405 1.00 1.28 O ATOM 458 CB THR A 52 -0.472 -7.081 -0.109 1.00 1.64 C ATOM 459 OG1 THR A 52 0.097 -6.011 -0.842 1.00 2.30 O ATOM 460 CG2 THR A 52 -0.060 -8.372 -0.780 1.00 2.34 C ATOM 0 H THR A 52 -2.009 -6.299 -1.991 1.00 1.05 H new ATOM 0 HA THR A 52 -2.385 -7.828 0.457 1.00 1.07 H new ATOM 0 HB THR A 52 -0.104 -7.091 0.917 1.00 1.64 H new ATOM 0 HG1 THR A 52 0.908 -5.699 -0.389 1.00 2.30 H new ATOM 0 HG21 THR A 52 1.028 -8.425 -0.831 1.00 2.34 H new ATOM 0 HG22 THR A 52 -0.438 -9.218 -0.205 1.00 2.34 H new ATOM 0 HG23 THR A 52 -0.472 -8.406 -1.788 1.00 2.34 H new ATOM 468 N ILE A 53 -2.344 -5.973 2.193 1.00 1.13 N ATOM 469 CA ILE A 53 -2.655 -4.932 3.156 1.00 1.60 C ATOM 470 C ILE A 53 -1.494 -4.779 4.117 1.00 1.49 C ATOM 471 O ILE A 53 -1.680 -4.523 5.305 1.00 2.03 O ATOM 472 CB ILE A 53 -3.935 -5.263 3.947 1.00 2.38 C ATOM 473 CG1 ILE A 53 -4.966 -5.915 3.025 1.00 2.64 C ATOM 474 CG2 ILE A 53 -4.505 -4.006 4.587 1.00 3.14 C ATOM 475 CD1 ILE A 53 -6.207 -6.398 3.742 1.00 2.95 C ATOM 0 H ILE A 53 -2.145 -6.884 2.608 1.00 1.13 H new ATOM 0 HA ILE A 53 -2.823 -4.002 2.613 1.00 1.60 H new ATOM 0 HB ILE A 53 -3.686 -5.966 4.742 1.00 2.38 H new ATOM 0 HG12 ILE A 53 -5.257 -5.199 2.257 1.00 2.64 H new ATOM 0 HG13 ILE A 53 -4.501 -6.758 2.514 1.00 2.64 H new ATOM 0 HG21 ILE A 53 -5.409 -4.258 5.142 1.00 3.14 H new ATOM 0 HG22 ILE A 53 -3.769 -3.578 5.268 1.00 3.14 H new ATOM 0 HG23 ILE A 53 -4.746 -3.280 3.811 1.00 3.14 H new ATOM 0 HD11 ILE A 53 -6.891 -6.848 3.023 1.00 2.95 H new ATOM 0 HD12 ILE A 53 -5.929 -7.139 4.491 1.00 2.95 H new ATOM 0 HD13 ILE A 53 -6.697 -5.555 4.230 1.00 2.95 H new ATOM 487 N VAL A 54 -0.292 -4.959 3.580 1.00 0.90 N ATOM 488 CA VAL A 54 0.932 -4.868 4.372 1.00 0.93 C ATOM 489 C VAL A 54 2.142 -4.660 3.473 1.00 0.65 C ATOM 490 O VAL A 54 1.997 -4.470 2.263 1.00 0.59 O ATOM 491 CB VAL A 54 1.170 -6.138 5.231 1.00 1.31 C ATOM 492 CG1 VAL A 54 0.693 -5.927 6.661 1.00 1.86 C ATOM 493 CG2 VAL A 54 0.497 -7.359 4.612 1.00 2.03 C ATOM 0 H VAL A 54 -0.138 -5.170 2.594 1.00 0.90 H new ATOM 0 HA VAL A 54 0.805 -4.014 5.037 1.00 0.93 H new ATOM 0 HB VAL A 54 2.244 -6.323 5.255 1.00 1.31 H new ATOM 0 HG11 VAL A 54 0.871 -6.832 7.241 1.00 1.86 H new ATOM 0 HG12 VAL A 54 1.239 -5.096 7.108 1.00 1.86 H new ATOM 0 HG13 VAL A 54 -0.373 -5.701 6.659 1.00 1.86 H new ATOM 0 HG21 VAL A 54 0.682 -8.233 5.237 1.00 2.03 H new ATOM 0 HG22 VAL A 54 -0.577 -7.185 4.540 1.00 2.03 H new ATOM 0 HG23 VAL A 54 0.904 -7.533 3.616 1.00 2.03 H new ATOM 503 N SER A 55 3.332 -4.690 4.074 1.00 0.71 N ATOM 504 CA SER A 55 4.572 -4.501 3.335 1.00 0.61 C ATOM 505 C SER A 55 5.776 -4.496 4.281 1.00 0.71 C ATOM 506 O SER A 55 5.829 -5.288 5.222 1.00 0.96 O ATOM 507 CB SER A 55 4.507 -3.199 2.563 1.00 0.64 C ATOM 508 OG SER A 55 5.662 -3.020 1.763 1.00 1.38 O ATOM 0 H SER A 55 3.459 -4.844 5.074 1.00 0.71 H new ATOM 0 HA SER A 55 4.695 -5.330 2.638 1.00 0.61 H new ATOM 0 HB2 SER A 55 3.619 -3.192 1.931 1.00 0.64 H new ATOM 0 HB3 SER A 55 4.410 -2.365 3.258 1.00 0.64 H new ATOM 0 HG SER A 55 6.107 -2.184 2.014 1.00 1.38 H new ATOM 514 N ALA A 56 6.748 -3.611 4.031 1.00 0.63 N ATOM 515 CA ALA A 56 7.929 -3.544 4.876 1.00 0.77 C ATOM 516 C ALA A 56 8.670 -2.218 4.763 1.00 0.58 C ATOM 517 O ALA A 56 8.612 -1.522 3.743 1.00 0.59 O ATOM 518 CB ALA A 56 8.872 -4.680 4.545 1.00 1.17 C ATOM 0 H ALA A 56 6.735 -2.943 3.260 1.00 0.63 H new ATOM 0 HA ALA A 56 7.579 -3.631 5.905 1.00 0.77 H new ATOM 0 HB1 ALA A 56 9.753 -4.620 5.184 1.00 1.17 H new ATOM 0 HB2 ALA A 56 8.368 -5.632 4.711 1.00 1.17 H new ATOM 0 HB3 ALA A 56 9.176 -4.608 3.501 1.00 1.17 H new ATOM 524 N SER A 57 9.380 -1.902 5.835 1.00 0.52 N ATOM 525 CA SER A 57 10.179 -0.694 5.928 1.00 0.47 C ATOM 526 C SER A 57 11.213 -0.873 7.022 1.00 0.59 C ATOM 527 O SER A 57 11.389 -1.975 7.520 1.00 0.87 O ATOM 528 CB SER A 57 9.303 0.496 6.251 1.00 0.51 C ATOM 529 OG SER A 57 8.968 0.508 7.631 1.00 1.46 O ATOM 0 H SER A 57 9.417 -2.484 6.672 1.00 0.52 H new ATOM 0 HA SER A 57 10.670 -0.514 4.972 1.00 0.47 H new ATOM 0 HB2 SER A 57 9.821 1.418 5.989 1.00 0.51 H new ATOM 0 HB3 SER A 57 8.394 0.459 5.651 1.00 0.51 H new ATOM 0 HG SER A 57 8.136 1.008 7.761 1.00 1.46 H new ATOM 535 N THR A 58 11.871 0.209 7.429 1.00 0.75 N ATOM 536 CA THR A 58 12.869 0.136 8.501 1.00 0.94 C ATOM 537 C THR A 58 12.351 -0.701 9.670 1.00 1.00 C ATOM 538 O THR A 58 13.128 -1.301 10.414 1.00 1.41 O ATOM 539 CB THR A 58 13.219 1.538 8.998 1.00 1.24 C ATOM 540 OG1 THR A 58 14.312 1.494 9.898 1.00 1.39 O ATOM 541 CG2 THR A 58 12.067 2.210 9.707 1.00 1.99 C ATOM 0 H THR A 58 11.735 1.142 7.039 1.00 0.75 H new ATOM 0 HA THR A 58 13.763 -0.338 8.095 1.00 0.94 H new ATOM 0 HB THR A 58 13.471 2.114 8.107 1.00 1.24 H new ATOM 0 HG1 THR A 58 14.234 2.227 10.544 1.00 1.39 H new ATOM 0 HG21 THR A 58 12.373 3.202 10.038 1.00 1.99 H new ATOM 0 HG22 THR A 58 11.222 2.300 9.024 1.00 1.99 H new ATOM 0 HG23 THR A 58 11.774 1.614 10.571 1.00 1.99 H new ATOM 549 N LEU A 59 11.026 -0.741 9.818 1.00 1.17 N ATOM 550 CA LEU A 59 10.386 -1.504 10.883 1.00 1.34 C ATOM 551 C LEU A 59 10.192 -2.974 10.487 1.00 1.38 C ATOM 552 O LEU A 59 9.389 -3.683 11.094 1.00 1.80 O ATOM 553 CB LEU A 59 9.027 -0.878 11.220 1.00 1.71 C ATOM 554 CG LEU A 59 9.078 0.416 12.035 1.00 1.41 C ATOM 555 CD1 LEU A 59 10.107 0.312 13.149 1.00 1.74 C ATOM 556 CD2 LEU A 59 9.378 1.603 11.133 1.00 1.87 C ATOM 0 H LEU A 59 10.374 -0.249 9.207 1.00 1.17 H new ATOM 0 HA LEU A 59 11.038 -1.474 11.756 1.00 1.34 H new ATOM 0 HB2 LEU A 59 8.498 -0.678 10.288 1.00 1.71 H new ATOM 0 HB3 LEU A 59 8.437 -1.610 11.771 1.00 1.71 H new ATOM 0 HG LEU A 59 8.101 0.571 12.492 1.00 1.41 H new ATOM 0 HD11 LEU A 59 10.126 1.243 13.715 1.00 1.74 H new ATOM 0 HD12 LEU A 59 9.842 -0.511 13.813 1.00 1.74 H new ATOM 0 HD13 LEU A 59 11.092 0.129 12.719 1.00 1.74 H new ATOM 0 HD21 LEU A 59 9.410 2.514 11.730 1.00 1.87 H new ATOM 0 HD22 LEU A 59 10.341 1.455 10.645 1.00 1.87 H new ATOM 0 HD23 LEU A 59 8.598 1.692 10.377 1.00 1.87 H new ATOM 568 N ASP A 60 10.921 -3.425 9.467 1.00 1.26 N ATOM 569 CA ASP A 60 10.816 -4.799 8.995 1.00 1.54 C ATOM 570 C ASP A 60 11.811 -5.703 9.720 1.00 1.37 C ATOM 571 O ASP A 60 12.594 -5.242 10.551 1.00 1.36 O ATOM 572 CB ASP A 60 11.057 -4.859 7.482 1.00 2.10 C ATOM 573 CG ASP A 60 10.386 -6.053 6.829 1.00 2.87 C ATOM 574 OD1 ASP A 60 9.165 -6.227 7.026 1.00 3.56 O ATOM 575 OD2 ASP A 60 11.079 -6.806 6.115 1.00 3.17 O ATOM 0 H ASP A 60 11.592 -2.854 8.952 1.00 1.26 H new ATOM 0 HA ASP A 60 9.809 -5.156 9.210 1.00 1.54 H new ATOM 0 HB2 ASP A 60 10.686 -3.943 7.023 1.00 2.10 H new ATOM 0 HB3 ASP A 60 12.129 -4.900 7.290 1.00 2.10 H new ATOM 580 N LYS A 61 11.760 -6.992 9.407 1.00 1.65 N ATOM 581 CA LYS A 61 12.642 -7.976 10.033 1.00 1.85 C ATOM 582 C LYS A 61 13.971 -8.126 9.291 1.00 1.82 C ATOM 583 O LYS A 61 15.034 -7.824 9.834 1.00 1.93 O ATOM 584 CB LYS A 61 11.942 -9.332 10.111 1.00 2.35 C ATOM 585 CG LYS A 61 10.744 -9.345 11.047 1.00 2.39 C ATOM 586 CD LYS A 61 10.048 -10.696 11.048 1.00 2.98 C ATOM 587 CE LYS A 61 9.427 -11.007 9.696 1.00 3.67 C ATOM 588 NZ LYS A 61 8.720 -12.317 9.700 1.00 4.11 N ATOM 0 H LYS A 61 11.115 -7.384 8.721 1.00 1.65 H new ATOM 0 HA LYS A 61 12.866 -7.612 11.036 1.00 1.85 H new ATOM 0 HB2 LYS A 61 11.615 -9.621 9.112 1.00 2.35 H new ATOM 0 HB3 LYS A 61 12.659 -10.083 10.442 1.00 2.35 H new ATOM 0 HG2 LYS A 61 11.070 -9.102 12.059 1.00 2.39 H new ATOM 0 HG3 LYS A 61 10.038 -8.572 10.745 1.00 2.39 H new ATOM 0 HD2 LYS A 61 10.765 -11.475 11.307 1.00 2.98 H new ATOM 0 HD3 LYS A 61 9.274 -10.707 11.816 1.00 2.98 H new ATOM 0 HE2 LYS A 61 8.726 -10.217 9.428 1.00 3.67 H new ATOM 0 HE3 LYS A 61 10.205 -11.016 8.932 1.00 3.67 H new ATOM 0 HZ1 LYS A 61 8.310 -12.493 8.761 1.00 4.11 H new ATOM 0 HZ2 LYS A 61 9.394 -13.075 9.931 1.00 4.11 H new ATOM 0 HZ3 LYS A 61 7.961 -12.300 10.411 1.00 4.11 H new ATOM 602 N GLU A 62 13.902 -8.621 8.057 1.00 1.86 N ATOM 603 CA GLU A 62 15.098 -8.848 7.245 1.00 1.95 C ATOM 604 C GLU A 62 16.061 -7.667 7.306 1.00 1.79 C ATOM 605 O GLU A 62 17.276 -7.843 7.208 1.00 1.95 O ATOM 606 CB GLU A 62 14.708 -9.119 5.791 1.00 2.09 C ATOM 607 CG GLU A 62 13.902 -10.393 5.604 1.00 2.41 C ATOM 608 CD GLU A 62 13.527 -10.637 4.155 1.00 3.00 C ATOM 609 OE1 GLU A 62 14.352 -11.214 3.417 1.00 3.80 O ATOM 610 OE2 GLU A 62 12.408 -10.250 3.759 1.00 3.14 O ATOM 0 H GLU A 62 13.028 -8.874 7.595 1.00 1.86 H new ATOM 0 HA GLU A 62 15.608 -9.719 7.657 1.00 1.95 H new ATOM 0 HB2 GLU A 62 14.130 -8.275 5.416 1.00 2.09 H new ATOM 0 HB3 GLU A 62 15.613 -9.180 5.186 1.00 2.09 H new ATOM 0 HG2 GLU A 62 14.478 -11.241 5.974 1.00 2.41 H new ATOM 0 HG3 GLU A 62 12.995 -10.337 6.206 1.00 2.41 H new ATOM 617 N PHE A 63 15.521 -6.467 7.461 1.00 1.55 N ATOM 618 CA PHE A 63 16.346 -5.268 7.527 1.00 1.41 C ATOM 619 C PHE A 63 17.153 -5.234 8.817 1.00 1.54 C ATOM 620 O PHE A 63 18.349 -4.942 8.808 1.00 1.79 O ATOM 621 CB PHE A 63 15.471 -4.024 7.423 1.00 1.10 C ATOM 622 CG PHE A 63 14.465 -4.074 6.304 1.00 0.91 C ATOM 623 CD1 PHE A 63 14.545 -5.024 5.296 1.00 1.23 C ATOM 624 CD2 PHE A 63 13.430 -3.167 6.278 1.00 0.72 C ATOM 625 CE1 PHE A 63 13.606 -5.059 4.283 1.00 1.22 C ATOM 626 CE2 PHE A 63 12.484 -3.194 5.268 1.00 0.88 C ATOM 627 CZ PHE A 63 12.573 -4.142 4.270 1.00 1.02 C ATOM 0 H PHE A 63 14.519 -6.297 7.543 1.00 1.55 H new ATOM 0 HA PHE A 63 17.043 -5.286 6.689 1.00 1.41 H new ATOM 0 HB2 PHE A 63 14.943 -3.884 8.366 1.00 1.10 H new ATOM 0 HB3 PHE A 63 16.111 -3.153 7.284 1.00 1.10 H new ATOM 0 HD1 PHE A 63 15.350 -5.744 5.303 1.00 1.23 H new ATOM 0 HD2 PHE A 63 13.355 -2.423 7.057 1.00 0.72 H new ATOM 0 HE1 PHE A 63 13.680 -5.802 3.503 1.00 1.22 H new ATOM 0 HE2 PHE A 63 11.678 -2.475 5.261 1.00 0.88 H new ATOM 0 HZ PHE A 63 11.837 -4.167 3.480 1.00 1.02 H new ATOM 637 N GLY A 64 16.492 -5.543 9.925 1.00 1.52 N ATOM 638 CA GLY A 64 17.160 -5.550 11.209 1.00 1.73 C ATOM 639 C GLY A 64 17.219 -4.176 11.847 1.00 1.66 C ATOM 640 O GLY A 64 16.198 -3.502 11.984 1.00 2.32 O ATOM 0 H GLY A 64 15.503 -5.789 9.956 1.00 1.52 H new ATOM 0 HA2 GLY A 64 16.641 -6.235 11.880 1.00 1.73 H new ATOM 0 HA3 GLY A 64 18.173 -5.932 11.084 1.00 1.73 H new ATOM 644 N LEU A 65 18.419 -3.762 12.241 1.00 1.73 N ATOM 645 CA LEU A 65 18.610 -2.463 12.875 1.00 2.08 C ATOM 646 C LEU A 65 19.059 -1.415 11.861 1.00 2.04 C ATOM 647 O LEU A 65 20.247 -1.294 11.562 1.00 2.62 O ATOM 648 CB LEU A 65 19.638 -2.572 14.002 1.00 2.62 C ATOM 649 CG LEU A 65 19.235 -3.488 15.159 1.00 2.98 C ATOM 650 CD1 LEU A 65 20.371 -3.615 16.161 1.00 3.23 C ATOM 651 CD2 LEU A 65 17.978 -2.966 15.838 1.00 3.51 C ATOM 0 H LEU A 65 19.274 -4.308 12.132 1.00 1.73 H new ATOM 0 HA LEU A 65 17.653 -2.148 13.290 1.00 2.08 H new ATOM 0 HB2 LEU A 65 20.577 -2.933 13.583 1.00 2.62 H new ATOM 0 HB3 LEU A 65 19.828 -1.574 14.398 1.00 2.62 H new ATOM 0 HG LEU A 65 19.022 -4.478 14.756 1.00 2.98 H new ATOM 0 HD11 LEU A 65 20.065 -4.270 16.977 1.00 3.23 H new ATOM 0 HD12 LEU A 65 21.247 -4.035 15.667 1.00 3.23 H new ATOM 0 HD13 LEU A 65 20.617 -2.631 16.559 1.00 3.23 H new ATOM 0 HD21 LEU A 65 17.705 -3.630 16.659 1.00 3.51 H new ATOM 0 HD22 LEU A 65 18.164 -1.965 16.227 1.00 3.51 H new ATOM 0 HD23 LEU A 65 17.163 -2.929 15.115 1.00 3.51 H new ATOM 663 N ASP A 66 18.100 -0.653 11.343 1.00 1.94 N ATOM 664 CA ASP A 66 18.394 0.395 10.369 1.00 2.04 C ATOM 665 C ASP A 66 18.913 -0.194 9.062 1.00 1.41 C ATOM 666 O ASP A 66 19.859 -0.983 9.058 1.00 1.89 O ATOM 667 CB ASP A 66 19.424 1.372 10.940 1.00 2.97 C ATOM 668 CG ASP A 66 18.966 1.997 12.242 1.00 4.03 C ATOM 669 OD1 ASP A 66 18.288 3.045 12.192 1.00 4.70 O ATOM 670 OD2 ASP A 66 19.284 1.439 13.313 1.00 4.42 O ATOM 0 H ASP A 66 17.112 -0.741 11.581 1.00 1.94 H new ATOM 0 HA ASP A 66 17.466 0.927 10.160 1.00 2.04 H new ATOM 0 HB2 ASP A 66 20.366 0.849 11.103 1.00 2.97 H new ATOM 0 HB3 ASP A 66 19.618 2.159 10.211 1.00 2.97 H new ATOM 675 N SER A 67 18.292 0.202 7.953 1.00 1.46 N ATOM 676 CA SER A 67 18.690 -0.277 6.633 1.00 2.04 C ATOM 677 C SER A 67 17.740 0.234 5.554 1.00 2.10 C ATOM 678 O SER A 67 18.158 0.546 4.439 1.00 2.64 O ATOM 679 CB SER A 67 18.735 -1.806 6.606 1.00 2.55 C ATOM 680 OG SER A 67 18.995 -2.288 5.299 1.00 2.95 O ATOM 0 H SER A 67 17.509 0.855 7.944 1.00 1.46 H new ATOM 0 HA SER A 67 19.688 0.110 6.426 1.00 2.04 H new ATOM 0 HB2 SER A 67 19.507 -2.162 7.288 1.00 2.55 H new ATOM 0 HB3 SER A 67 17.786 -2.207 6.962 1.00 2.55 H new ATOM 0 HG SER A 67 19.020 -3.268 5.311 1.00 2.95 H new ATOM 686 N THR A 68 16.463 0.313 5.895 1.00 1.67 N ATOM 687 CA THR A 68 15.444 0.784 4.961 1.00 1.78 C ATOM 688 C THR A 68 15.754 2.182 4.452 1.00 1.59 C ATOM 689 O THR A 68 15.234 2.594 3.416 1.00 2.23 O ATOM 690 CB THR A 68 14.075 0.766 5.620 1.00 2.14 C ATOM 691 OG1 THR A 68 13.720 -0.556 5.945 1.00 2.77 O ATOM 692 CG2 THR A 68 12.979 1.340 4.748 1.00 2.70 C ATOM 0 H THR A 68 16.104 0.057 6.815 1.00 1.67 H new ATOM 0 HA THR A 68 15.443 0.107 4.107 1.00 1.78 H new ATOM 0 HB THR A 68 14.161 1.392 6.508 1.00 2.14 H new ATOM 0 HG1 THR A 68 14.171 -1.175 5.334 1.00 2.77 H new ATOM 0 HG21 THR A 68 12.029 1.296 5.281 1.00 2.70 H new ATOM 0 HG22 THR A 68 13.212 2.377 4.507 1.00 2.70 H new ATOM 0 HG23 THR A 68 12.906 0.761 3.827 1.00 2.70 H new ATOM 700 N ASN A 69 16.612 2.914 5.173 1.00 1.07 N ATOM 701 CA ASN A 69 16.989 4.268 4.764 1.00 1.18 C ATOM 702 C ASN A 69 17.269 4.294 3.269 1.00 1.14 C ATOM 703 O ASN A 69 16.915 5.239 2.564 1.00 2.00 O ATOM 704 CB ASN A 69 18.220 4.743 5.531 1.00 1.57 C ATOM 705 CG ASN A 69 19.277 3.662 5.658 1.00 1.96 C ATOM 706 OD1 ASN A 69 19.400 2.793 4.793 1.00 2.86 O ATOM 707 ND2 ASN A 69 20.046 3.710 6.739 1.00 1.89 N ATOM 0 H ASN A 69 17.054 2.593 6.035 1.00 1.07 H new ATOM 0 HA ASN A 69 16.162 4.941 4.991 1.00 1.18 H new ATOM 0 HB2 ASN A 69 18.648 5.608 5.025 1.00 1.57 H new ATOM 0 HB3 ASN A 69 17.920 5.072 6.526 1.00 1.57 H new ATOM 0 HD21 ASN A 69 20.774 3.009 6.879 1.00 1.89 H new ATOM 0 HD22 ASN A 69 19.909 4.448 7.430 1.00 1.89 H new ATOM 714 N ASN A 70 17.864 3.209 2.799 1.00 1.04 N ATOM 715 CA ASN A 70 18.151 3.039 1.390 1.00 1.32 C ATOM 716 C ASN A 70 17.126 2.077 0.816 1.00 1.16 C ATOM 717 O ASN A 70 16.936 0.979 1.340 1.00 1.05 O ATOM 718 CB ASN A 70 19.569 2.501 1.184 1.00 1.70 C ATOM 719 CG ASN A 70 19.869 2.177 -0.269 1.00 1.67 C ATOM 720 OD1 ASN A 70 20.616 1.245 -0.564 1.00 2.23 O ATOM 721 ND2 ASN A 70 19.295 2.950 -1.186 1.00 1.52 N ATOM 0 H ASN A 70 18.159 2.427 3.383 1.00 1.04 H new ATOM 0 HA ASN A 70 18.092 4.000 0.880 1.00 1.32 H new ATOM 0 HB2 ASN A 70 20.288 3.237 1.543 1.00 1.70 H new ATOM 0 HB3 ASN A 70 19.703 1.603 1.787 1.00 1.70 H new ATOM 0 HD21 ASN A 70 19.468 2.780 -2.177 1.00 1.52 H new ATOM 0 HD22 ASN A 70 18.682 3.713 -0.899 1.00 1.52 H new ATOM 728 N ILE A 71 16.434 2.497 -0.230 1.00 1.26 N ATOM 729 CA ILE A 71 15.395 1.668 -0.824 1.00 1.24 C ATOM 730 C ILE A 71 15.841 0.221 -1.047 1.00 1.02 C ATOM 731 O ILE A 71 15.003 -0.669 -1.149 1.00 0.95 O ATOM 732 CB ILE A 71 14.864 2.251 -2.148 1.00 1.56 C ATOM 733 CG1 ILE A 71 16.000 2.905 -2.960 1.00 1.60 C ATOM 734 CG2 ILE A 71 13.731 3.230 -1.860 1.00 2.25 C ATOM 735 CD1 ILE A 71 16.159 4.405 -2.756 1.00 1.84 C ATOM 0 H ILE A 71 16.570 3.400 -0.684 1.00 1.26 H new ATOM 0 HA ILE A 71 14.586 1.665 -0.093 1.00 1.24 H new ATOM 0 HB ILE A 71 14.466 1.442 -2.761 1.00 1.56 H new ATOM 0 HG12 ILE A 71 16.939 2.417 -2.699 1.00 1.60 H new ATOM 0 HG13 ILE A 71 15.825 2.715 -4.019 1.00 1.60 H new ATOM 0 HG21 ILE A 71 13.358 3.641 -2.798 1.00 2.25 H new ATOM 0 HG22 ILE A 71 12.923 2.710 -1.344 1.00 2.25 H new ATOM 0 HG23 ILE A 71 14.101 4.040 -1.231 1.00 2.25 H new ATOM 0 HD11 ILE A 71 16.983 4.770 -3.369 1.00 1.84 H new ATOM 0 HD12 ILE A 71 15.238 4.911 -3.046 1.00 1.84 H new ATOM 0 HD13 ILE A 71 16.370 4.609 -1.706 1.00 1.84 H new ATOM 747 N GLU A 72 17.145 -0.026 -1.117 1.00 1.00 N ATOM 748 CA GLU A 72 17.648 -1.386 -1.319 1.00 0.97 C ATOM 749 C GLU A 72 16.944 -2.382 -0.390 1.00 0.79 C ATOM 750 O GLU A 72 16.487 -3.439 -0.824 1.00 0.78 O ATOM 751 CB GLU A 72 19.158 -1.436 -1.080 1.00 1.11 C ATOM 752 CG GLU A 72 19.745 -2.834 -1.190 1.00 1.49 C ATOM 753 CD GLU A 72 21.248 -2.856 -0.991 1.00 1.95 C ATOM 754 OE1 GLU A 72 21.691 -2.932 0.174 1.00 2.49 O ATOM 755 OE2 GLU A 72 21.981 -2.799 -2.000 1.00 2.41 O ATOM 0 H GLU A 72 17.869 0.688 -1.038 1.00 1.00 H new ATOM 0 HA GLU A 72 17.437 -1.669 -2.350 1.00 0.97 H new ATOM 0 HB2 GLU A 72 19.653 -0.785 -1.801 1.00 1.11 H new ATOM 0 HB3 GLU A 72 19.374 -1.037 -0.089 1.00 1.11 H new ATOM 0 HG2 GLU A 72 19.275 -3.480 -0.448 1.00 1.49 H new ATOM 0 HG3 GLU A 72 19.506 -3.248 -2.170 1.00 1.49 H new ATOM 762 N ALA A 73 16.859 -2.029 0.889 1.00 0.70 N ATOM 763 CA ALA A 73 16.214 -2.878 1.885 1.00 0.60 C ATOM 764 C ALA A 73 14.695 -2.786 1.784 1.00 0.54 C ATOM 765 O ALA A 73 14.012 -3.794 1.592 1.00 0.56 O ATOM 766 CB ALA A 73 16.680 -2.495 3.282 1.00 0.66 C ATOM 0 H ALA A 73 17.231 -1.155 1.262 1.00 0.70 H new ATOM 0 HA ALA A 73 16.500 -3.911 1.689 1.00 0.60 H new ATOM 0 HB1 ALA A 73 16.192 -3.135 4.017 1.00 0.66 H new ATOM 0 HB2 ALA A 73 17.760 -2.620 3.352 1.00 0.66 H new ATOM 0 HB3 ALA A 73 16.422 -1.455 3.479 1.00 0.66 H new ATOM 772 N ALA A 74 14.159 -1.575 1.898 1.00 0.56 N ATOM 773 CA ALA A 74 12.718 -1.383 1.798 1.00 0.65 C ATOM 774 C ALA A 74 12.194 -2.040 0.529 1.00 0.63 C ATOM 775 O ALA A 74 11.059 -2.506 0.478 1.00 0.73 O ATOM 776 CB ALA A 74 12.369 0.097 1.814 1.00 0.77 C ATOM 0 H ALA A 74 14.694 -0.721 2.058 1.00 0.56 H new ATOM 0 HA ALA A 74 12.244 -1.851 2.660 1.00 0.65 H new ATOM 0 HB1 ALA A 74 11.288 0.217 1.738 1.00 0.77 H new ATOM 0 HB2 ALA A 74 12.719 0.543 2.745 1.00 0.77 H new ATOM 0 HB3 ALA A 74 12.849 0.593 0.970 1.00 0.77 H new ATOM 782 N LYS A 75 13.052 -2.092 -0.483 1.00 0.60 N ATOM 783 CA LYS A 75 12.710 -2.710 -1.752 1.00 0.69 C ATOM 784 C LYS A 75 12.774 -4.224 -1.620 1.00 0.68 C ATOM 785 O LYS A 75 12.032 -4.947 -2.285 1.00 0.81 O ATOM 786 CB LYS A 75 13.667 -2.238 -2.848 1.00 0.81 C ATOM 787 CG LYS A 75 13.333 -2.777 -4.228 1.00 1.26 C ATOM 788 CD LYS A 75 14.502 -2.602 -5.185 1.00 1.49 C ATOM 789 CE LYS A 75 14.129 -2.997 -6.605 1.00 1.90 C ATOM 790 NZ LYS A 75 13.146 -2.052 -7.204 1.00 2.16 N ATOM 0 H LYS A 75 13.997 -1.709 -0.445 1.00 0.60 H new ATOM 0 HA LYS A 75 11.697 -2.417 -2.026 1.00 0.69 H new ATOM 0 HB2 LYS A 75 13.657 -1.149 -2.882 1.00 0.81 H new ATOM 0 HB3 LYS A 75 14.681 -2.539 -2.586 1.00 0.81 H new ATOM 0 HG2 LYS A 75 13.074 -3.833 -4.156 1.00 1.26 H new ATOM 0 HG3 LYS A 75 12.457 -2.260 -4.621 1.00 1.26 H new ATOM 0 HD2 LYS A 75 14.832 -1.563 -5.171 1.00 1.49 H new ATOM 0 HD3 LYS A 75 15.343 -3.208 -4.847 1.00 1.49 H new ATOM 0 HE2 LYS A 75 15.027 -3.026 -7.222 1.00 1.90 H new ATOM 0 HE3 LYS A 75 13.711 -4.004 -6.604 1.00 1.90 H new ATOM 0 HZ1 LYS A 75 13.083 -2.220 -8.228 1.00 2.16 H new ATOM 0 HZ2 LYS A 75 12.212 -2.201 -6.771 1.00 2.16 H new ATOM 0 HZ3 LYS A 75 13.455 -1.074 -7.031 1.00 2.16 H new ATOM 804 N LYS A 76 13.663 -4.703 -0.744 1.00 0.60 N ATOM 805 CA LYS A 76 13.805 -6.138 -0.525 1.00 0.66 C ATOM 806 C LYS A 76 12.445 -6.745 -0.215 1.00 0.60 C ATOM 807 O LYS A 76 11.925 -7.570 -0.969 1.00 0.68 O ATOM 808 CB LYS A 76 14.763 -6.422 0.641 1.00 0.73 C ATOM 809 CG LYS A 76 14.851 -7.894 1.023 1.00 0.96 C ATOM 810 CD LYS A 76 15.039 -8.066 2.525 1.00 1.23 C ATOM 811 CE LYS A 76 16.324 -7.412 3.002 1.00 2.08 C ATOM 812 NZ LYS A 76 17.528 -8.027 2.378 1.00 2.52 N ATOM 0 H LYS A 76 14.286 -4.123 -0.183 1.00 0.60 H new ATOM 0 HA LYS A 76 14.215 -6.584 -1.431 1.00 0.66 H new ATOM 0 HB2 LYS A 76 15.758 -6.065 0.376 1.00 0.73 H new ATOM 0 HB3 LYS A 76 14.441 -5.850 1.511 1.00 0.73 H new ATOM 0 HG2 LYS A 76 13.944 -8.409 0.707 1.00 0.96 H new ATOM 0 HG3 LYS A 76 15.683 -8.360 0.495 1.00 0.96 H new ATOM 0 HD2 LYS A 76 14.190 -7.630 3.052 1.00 1.23 H new ATOM 0 HD3 LYS A 76 15.056 -9.128 2.772 1.00 1.23 H new ATOM 0 HE2 LYS A 76 16.298 -6.348 2.768 1.00 2.08 H new ATOM 0 HE3 LYS A 76 16.394 -7.498 4.086 1.00 2.08 H new ATOM 0 HZ1 LYS A 76 18.384 -7.673 2.851 1.00 2.52 H new ATOM 0 HZ2 LYS A 76 17.481 -9.061 2.477 1.00 2.52 H new ATOM 0 HZ3 LYS A 76 17.562 -7.777 1.369 1.00 2.52 H new ATOM 826 N VAL A 77 11.869 -6.310 0.898 1.00 0.54 N ATOM 827 CA VAL A 77 10.563 -6.792 1.310 1.00 0.59 C ATOM 828 C VAL A 77 9.447 -5.976 0.669 1.00 0.57 C ATOM 829 O VAL A 77 8.451 -6.535 0.209 1.00 0.62 O ATOM 830 CB VAL A 77 10.413 -6.787 2.841 1.00 0.76 C ATOM 831 CG1 VAL A 77 9.032 -7.283 3.248 1.00 1.04 C ATOM 832 CG2 VAL A 77 11.499 -7.639 3.481 1.00 1.61 C ATOM 0 H VAL A 77 12.287 -5.626 1.529 1.00 0.54 H new ATOM 0 HA VAL A 77 10.480 -7.823 0.966 1.00 0.59 H new ATOM 0 HB VAL A 77 10.523 -5.762 3.195 1.00 0.76 H new ATOM 0 HG11 VAL A 77 8.947 -7.272 4.335 1.00 1.04 H new ATOM 0 HG12 VAL A 77 8.270 -6.633 2.818 1.00 1.04 H new ATOM 0 HG13 VAL A 77 8.889 -8.300 2.884 1.00 1.04 H new ATOM 0 HG21 VAL A 77 11.380 -7.626 4.564 1.00 1.61 H new ATOM 0 HG22 VAL A 77 11.418 -8.664 3.119 1.00 1.61 H new ATOM 0 HG23 VAL A 77 12.478 -7.238 3.218 1.00 1.61 H new ATOM 842 N GLY A 78 9.621 -4.652 0.616 1.00 0.61 N ATOM 843 CA GLY A 78 8.615 -3.801 -0.006 1.00 0.76 C ATOM 844 C GLY A 78 8.192 -4.357 -1.351 1.00 0.78 C ATOM 845 O GLY A 78 7.045 -4.207 -1.771 1.00 0.94 O ATOM 0 H GLY A 78 10.432 -4.159 0.989 1.00 0.61 H new ATOM 0 HA2 GLY A 78 7.747 -3.720 0.648 1.00 0.76 H new ATOM 0 HA3 GLY A 78 9.013 -2.794 -0.133 1.00 0.76 H new ATOM 849 N GLU A 79 9.135 -5.033 -2.008 1.00 0.70 N ATOM 850 CA GLU A 79 8.881 -5.658 -3.297 1.00 0.82 C ATOM 851 C GLU A 79 8.218 -7.012 -3.080 1.00 0.77 C ATOM 852 O GLU A 79 7.216 -7.334 -3.717 1.00 0.79 O ATOM 853 CB GLU A 79 10.184 -5.830 -4.081 1.00 0.91 C ATOM 854 CG GLU A 79 9.988 -6.460 -5.450 1.00 1.18 C ATOM 855 CD GLU A 79 11.295 -6.694 -6.179 1.00 1.88 C ATOM 856 OE1 GLU A 79 11.773 -5.760 -6.857 1.00 2.16 O ATOM 857 OE2 GLU A 79 11.846 -7.810 -6.071 1.00 2.67 O ATOM 0 H GLU A 79 10.086 -5.160 -1.662 1.00 0.70 H new ATOM 0 HA GLU A 79 8.218 -5.016 -3.877 1.00 0.82 H new ATOM 0 HB2 GLU A 79 10.657 -4.856 -4.202 1.00 0.91 H new ATOM 0 HB3 GLU A 79 10.870 -6.447 -3.500 1.00 0.91 H new ATOM 0 HG2 GLU A 79 9.465 -7.410 -5.337 1.00 1.18 H new ATOM 0 HG3 GLU A 79 9.350 -5.815 -6.054 1.00 1.18 H new ATOM 864 N LEU A 80 8.776 -7.796 -2.152 1.00 0.76 N ATOM 865 CA LEU A 80 8.223 -9.108 -1.827 1.00 0.78 C ATOM 866 C LEU A 80 6.724 -8.988 -1.573 1.00 0.72 C ATOM 867 O LEU A 80 5.920 -9.696 -2.180 1.00 0.73 O ATOM 868 CB LEU A 80 8.922 -9.690 -0.594 1.00 0.86 C ATOM 869 CG LEU A 80 8.354 -11.017 -0.086 1.00 1.28 C ATOM 870 CD1 LEU A 80 8.394 -12.074 -1.180 1.00 1.69 C ATOM 871 CD2 LEU A 80 9.122 -11.487 1.141 1.00 2.00 C ATOM 0 H LEU A 80 9.607 -7.543 -1.616 1.00 0.76 H new ATOM 0 HA LEU A 80 8.389 -9.780 -2.669 1.00 0.78 H new ATOM 0 HB2 LEU A 80 9.977 -9.831 -0.828 1.00 0.86 H new ATOM 0 HB3 LEU A 80 8.869 -8.959 0.212 1.00 0.86 H new ATOM 0 HG LEU A 80 7.313 -10.860 0.196 1.00 1.28 H new ATOM 0 HD11 LEU A 80 7.986 -13.009 -0.797 1.00 1.69 H new ATOM 0 HD12 LEU A 80 7.800 -11.740 -2.031 1.00 1.69 H new ATOM 0 HD13 LEU A 80 9.425 -12.231 -1.497 1.00 1.69 H new ATOM 0 HD21 LEU A 80 8.706 -12.432 1.491 1.00 2.00 H new ATOM 0 HD22 LEU A 80 10.172 -11.626 0.882 1.00 2.00 H new ATOM 0 HD23 LEU A 80 9.039 -10.740 1.930 1.00 2.00 H new ATOM 883 N VAL A 81 6.358 -8.059 -0.695 1.00 0.75 N ATOM 884 CA VAL A 81 4.958 -7.810 -0.384 1.00 0.76 C ATOM 885 C VAL A 81 4.238 -7.315 -1.628 1.00 0.74 C ATOM 886 O VAL A 81 3.078 -7.648 -1.864 1.00 0.74 O ATOM 887 CB VAL A 81 4.806 -6.771 0.739 1.00 0.85 C ATOM 888 CG1 VAL A 81 5.548 -5.492 0.382 1.00 1.14 C ATOM 889 CG2 VAL A 81 3.336 -6.490 1.015 1.00 0.95 C ATOM 0 H VAL A 81 7.014 -7.466 -0.187 1.00 0.75 H new ATOM 0 HA VAL A 81 4.518 -8.748 -0.044 1.00 0.76 H new ATOM 0 HB VAL A 81 5.247 -7.177 1.649 1.00 0.85 H new ATOM 0 HG11 VAL A 81 5.431 -4.767 1.187 1.00 1.14 H new ATOM 0 HG12 VAL A 81 6.606 -5.712 0.243 1.00 1.14 H new ATOM 0 HG13 VAL A 81 5.139 -5.080 -0.540 1.00 1.14 H new ATOM 0 HG21 VAL A 81 3.250 -5.752 1.813 1.00 0.95 H new ATOM 0 HG22 VAL A 81 2.863 -6.104 0.112 1.00 0.95 H new ATOM 0 HG23 VAL A 81 2.840 -7.412 1.318 1.00 0.95 H new ATOM 899 N ALA A 82 4.947 -6.524 -2.429 1.00 0.81 N ATOM 900 CA ALA A 82 4.386 -5.994 -3.660 1.00 0.87 C ATOM 901 C ALA A 82 3.941 -7.130 -4.567 1.00 0.79 C ATOM 902 O ALA A 82 2.777 -7.209 -4.955 1.00 0.85 O ATOM 903 CB ALA A 82 5.403 -5.114 -4.373 1.00 1.03 C ATOM 0 H ALA A 82 5.909 -6.239 -2.245 1.00 0.81 H new ATOM 0 HA ALA A 82 3.517 -5.385 -3.412 1.00 0.87 H new ATOM 0 HB1 ALA A 82 4.966 -4.725 -5.293 1.00 1.03 H new ATOM 0 HB2 ALA A 82 5.683 -4.283 -3.725 1.00 1.03 H new ATOM 0 HB3 ALA A 82 6.289 -5.702 -4.612 1.00 1.03 H new ATOM 909 N LYS A 83 4.875 -8.019 -4.900 1.00 0.81 N ATOM 910 CA LYS A 83 4.573 -9.157 -5.762 1.00 0.89 C ATOM 911 C LYS A 83 3.296 -9.858 -5.310 1.00 0.81 C ATOM 912 O LYS A 83 2.343 -9.980 -6.072 1.00 0.90 O ATOM 913 CB LYS A 83 5.740 -10.148 -5.771 1.00 1.06 C ATOM 914 CG LYS A 83 5.498 -11.361 -6.654 1.00 1.43 C ATOM 915 CD LYS A 83 6.753 -12.207 -6.798 1.00 1.75 C ATOM 916 CE LYS A 83 7.238 -12.725 -5.453 1.00 2.04 C ATOM 917 NZ LYS A 83 8.459 -13.567 -5.592 1.00 2.68 N ATOM 0 H LYS A 83 5.844 -7.972 -4.586 1.00 0.81 H new ATOM 0 HA LYS A 83 4.421 -8.781 -6.774 1.00 0.89 H new ATOM 0 HB2 LYS A 83 6.640 -9.635 -6.111 1.00 1.06 H new ATOM 0 HB3 LYS A 83 5.930 -10.483 -4.751 1.00 1.06 H new ATOM 0 HG2 LYS A 83 4.697 -11.966 -6.230 1.00 1.43 H new ATOM 0 HG3 LYS A 83 5.164 -11.034 -7.639 1.00 1.43 H new ATOM 0 HD2 LYS A 83 6.551 -13.048 -7.461 1.00 1.75 H new ATOM 0 HD3 LYS A 83 7.540 -11.615 -7.265 1.00 1.75 H new ATOM 0 HE2 LYS A 83 7.450 -11.883 -4.794 1.00 2.04 H new ATOM 0 HE3 LYS A 83 6.447 -13.307 -4.981 1.00 2.04 H new ATOM 0 HZ1 LYS A 83 8.759 -13.901 -4.654 1.00 2.68 H new ATOM 0 HZ2 LYS A 83 8.250 -14.384 -6.200 1.00 2.68 H new ATOM 0 HZ3 LYS A 83 9.222 -13.004 -6.019 1.00 2.68 H new ATOM 931 N ARG A 84 3.273 -10.308 -4.065 1.00 0.81 N ATOM 932 CA ARG A 84 2.096 -10.981 -3.534 1.00 0.84 C ATOM 933 C ARG A 84 0.868 -10.075 -3.623 1.00 0.61 C ATOM 934 O ARG A 84 -0.265 -10.548 -3.587 1.00 0.71 O ATOM 935 CB ARG A 84 2.329 -11.415 -2.085 1.00 1.13 C ATOM 936 CG ARG A 84 2.796 -10.294 -1.172 1.00 1.39 C ATOM 937 CD ARG A 84 2.987 -10.788 0.253 1.00 1.98 C ATOM 938 NE ARG A 84 1.756 -11.343 0.810 1.00 2.44 N ATOM 939 CZ ARG A 84 1.687 -11.941 1.995 1.00 3.11 C ATOM 940 NH1 ARG A 84 2.775 -12.060 2.744 1.00 3.54 N ATOM 941 NH2 ARG A 84 0.530 -12.420 2.432 1.00 3.69 N ATOM 0 H ARG A 84 4.048 -10.221 -3.408 1.00 0.81 H new ATOM 0 HA ARG A 84 1.915 -11.870 -4.138 1.00 0.84 H new ATOM 0 HB2 ARG A 84 1.403 -11.831 -1.688 1.00 1.13 H new ATOM 0 HB3 ARG A 84 3.070 -12.214 -2.071 1.00 1.13 H new ATOM 0 HG2 ARG A 84 3.734 -9.884 -1.546 1.00 1.39 H new ATOM 0 HG3 ARG A 84 2.067 -9.484 -1.184 1.00 1.39 H new ATOM 0 HD2 ARG A 84 3.768 -11.548 0.271 1.00 1.98 H new ATOM 0 HD3 ARG A 84 3.329 -9.964 0.879 1.00 1.98 H new ATOM 0 HE ARG A 84 0.901 -11.267 0.259 1.00 2.44 H new ATOM 0 HH11 ARG A 84 3.666 -11.692 2.411 1.00 3.54 H new ATOM 0 HH12 ARG A 84 2.721 -12.519 3.653 1.00 3.54 H new ATOM 0 HH21 ARG A 84 -0.309 -12.330 1.858 1.00 3.69 H new ATOM 0 HH22 ARG A 84 0.479 -12.879 3.342 1.00 3.69 H new ATOM 955 N ALA A 85 1.102 -8.769 -3.740 1.00 0.61 N ATOM 956 CA ALA A 85 0.020 -7.798 -3.830 1.00 0.80 C ATOM 957 C ALA A 85 -0.621 -7.788 -5.213 1.00 1.06 C ATOM 958 O ALA A 85 -1.845 -7.835 -5.332 1.00 1.38 O ATOM 959 CB ALA A 85 0.530 -6.409 -3.480 1.00 1.21 C ATOM 0 H ALA A 85 2.036 -8.361 -3.775 1.00 0.61 H new ATOM 0 HA ALA A 85 -0.746 -8.093 -3.113 1.00 0.80 H new ATOM 0 HB1 ALA A 85 -0.288 -5.692 -3.551 1.00 1.21 H new ATOM 0 HB2 ALA A 85 0.923 -6.411 -2.463 1.00 1.21 H new ATOM 0 HB3 ALA A 85 1.321 -6.126 -4.174 1.00 1.21 H new ATOM 965 N LEU A 86 0.200 -7.713 -6.259 1.00 1.11 N ATOM 966 CA LEU A 86 -0.329 -7.684 -7.618 1.00 1.61 C ATOM 967 C LEU A 86 -1.121 -8.951 -7.923 1.00 1.90 C ATOM 968 O LEU A 86 -2.017 -8.946 -8.767 1.00 2.47 O ATOM 969 CB LEU A 86 0.783 -7.507 -8.660 1.00 1.64 C ATOM 970 CG LEU A 86 1.958 -8.480 -8.558 1.00 1.91 C ATOM 971 CD1 LEU A 86 1.507 -9.904 -8.857 1.00 2.52 C ATOM 972 CD2 LEU A 86 3.068 -8.064 -9.511 1.00 1.92 C ATOM 0 H LEU A 86 1.217 -7.672 -6.193 1.00 1.11 H new ATOM 0 HA LEU A 86 -0.994 -6.823 -7.679 1.00 1.61 H new ATOM 0 HB2 LEU A 86 0.342 -7.603 -9.652 1.00 1.64 H new ATOM 0 HB3 LEU A 86 1.170 -6.491 -8.580 1.00 1.64 H new ATOM 0 HG LEU A 86 2.342 -8.451 -7.538 1.00 1.91 H new ATOM 0 HD11 LEU A 86 2.359 -10.579 -8.779 1.00 2.52 H new ATOM 0 HD12 LEU A 86 0.741 -10.201 -8.140 1.00 2.52 H new ATOM 0 HD13 LEU A 86 1.098 -9.952 -9.866 1.00 2.52 H new ATOM 0 HD21 LEU A 86 3.899 -8.764 -9.429 1.00 1.92 H new ATOM 0 HD22 LEU A 86 2.690 -8.067 -10.533 1.00 1.92 H new ATOM 0 HD23 LEU A 86 3.411 -7.062 -9.254 1.00 1.92 H new ATOM 984 N GLU A 87 -0.776 -10.039 -7.240 1.00 1.70 N ATOM 985 CA GLU A 87 -1.446 -11.316 -7.452 1.00 2.11 C ATOM 986 C GLU A 87 -2.711 -11.448 -6.604 1.00 1.86 C ATOM 987 O GLU A 87 -3.694 -12.044 -7.043 1.00 2.33 O ATOM 988 CB GLU A 87 -0.493 -12.472 -7.161 1.00 2.40 C ATOM 989 CG GLU A 87 0.184 -12.368 -5.811 1.00 2.35 C ATOM 990 CD GLU A 87 0.933 -13.633 -5.441 1.00 2.89 C ATOM 991 OE1 GLU A 87 1.987 -13.902 -6.055 1.00 3.20 O ATOM 992 OE2 GLU A 87 0.466 -14.357 -4.536 1.00 3.30 O ATOM 0 H GLU A 87 -0.038 -10.061 -6.537 1.00 1.70 H new ATOM 0 HA GLU A 87 -1.747 -11.354 -8.499 1.00 2.11 H new ATOM 0 HB2 GLU A 87 -1.046 -13.410 -7.211 1.00 2.40 H new ATOM 0 HB3 GLU A 87 0.269 -12.510 -7.939 1.00 2.40 H new ATOM 0 HG2 GLU A 87 0.878 -11.527 -5.819 1.00 2.35 H new ATOM 0 HG3 GLU A 87 -0.565 -12.156 -5.048 1.00 2.35 H new ATOM 999 N LYS A 88 -2.692 -10.889 -5.393 1.00 1.30 N ATOM 1000 CA LYS A 88 -3.858 -10.958 -4.514 1.00 1.38 C ATOM 1001 C LYS A 88 -5.098 -10.486 -5.255 1.00 1.33 C ATOM 1002 O LYS A 88 -5.964 -11.284 -5.616 1.00 2.14 O ATOM 1003 CB LYS A 88 -3.640 -10.108 -3.259 1.00 1.54 C ATOM 1004 CG LYS A 88 -2.985 -10.857 -2.109 1.00 1.94 C ATOM 1005 CD LYS A 88 -3.730 -12.138 -1.782 1.00 1.92 C ATOM 1006 CE LYS A 88 -3.212 -12.773 -0.502 1.00 2.31 C ATOM 1007 NZ LYS A 88 -3.904 -14.056 -0.203 1.00 3.30 N ATOM 0 H LYS A 88 -1.893 -10.390 -5.003 1.00 1.30 H new ATOM 0 HA LYS A 88 -3.999 -11.995 -4.208 1.00 1.38 H new ATOM 0 HB2 LYS A 88 -3.022 -9.249 -3.518 1.00 1.54 H new ATOM 0 HB3 LYS A 88 -4.602 -9.719 -2.925 1.00 1.54 H new ATOM 0 HG2 LYS A 88 -1.952 -11.092 -2.368 1.00 1.94 H new ATOM 0 HG3 LYS A 88 -2.955 -10.217 -1.227 1.00 1.94 H new ATOM 0 HD2 LYS A 88 -4.794 -11.925 -1.679 1.00 1.92 H new ATOM 0 HD3 LYS A 88 -3.624 -12.842 -2.607 1.00 1.92 H new ATOM 0 HE2 LYS A 88 -2.140 -12.950 -0.592 1.00 2.31 H new ATOM 0 HE3 LYS A 88 -3.352 -12.082 0.329 1.00 2.31 H new ATOM 0 HZ1 LYS A 88 -3.524 -14.459 0.677 1.00 3.30 H new ATOM 0 HZ2 LYS A 88 -4.924 -13.883 -0.092 1.00 3.30 H new ATOM 0 HZ3 LYS A 88 -3.749 -14.724 -0.985 1.00 3.30 H new ATOM 1021 N GLY A 89 -5.161 -9.189 -5.504 1.00 1.17 N ATOM 1022 CA GLY A 89 -6.278 -8.634 -6.232 1.00 1.54 C ATOM 1023 C GLY A 89 -6.389 -9.257 -7.605 1.00 1.65 C ATOM 1024 O GLY A 89 -7.152 -10.197 -7.822 1.00 2.42 O ATOM 0 H GLY A 89 -4.457 -8.510 -5.214 1.00 1.17 H new ATOM 0 HA2 GLY A 89 -7.200 -8.803 -5.676 1.00 1.54 H new ATOM 0 HA3 GLY A 89 -6.156 -7.555 -6.326 1.00 1.54 H new ATOM 1028 N ILE A 90 -5.587 -8.726 -8.513 1.00 1.54 N ATOM 1029 CA ILE A 90 -5.514 -9.189 -9.893 1.00 1.78 C ATOM 1030 C ILE A 90 -4.209 -8.689 -10.501 1.00 1.49 C ATOM 1031 O ILE A 90 -3.495 -9.422 -11.184 1.00 1.75 O ATOM 1032 CB ILE A 90 -6.699 -8.673 -10.749 1.00 2.16 C ATOM 1033 CG1 ILE A 90 -8.037 -9.187 -10.210 1.00 2.83 C ATOM 1034 CG2 ILE A 90 -6.527 -9.089 -12.205 1.00 2.23 C ATOM 1035 CD1 ILE A 90 -8.164 -10.696 -10.236 1.00 3.26 C ATOM 0 H ILE A 90 -4.958 -7.949 -8.311 1.00 1.54 H new ATOM 0 HA ILE A 90 -5.561 -10.278 -9.888 1.00 1.78 H new ATOM 0 HB ILE A 90 -6.703 -7.585 -10.690 1.00 2.16 H new ATOM 0 HG12 ILE A 90 -8.164 -8.838 -9.185 1.00 2.83 H new ATOM 0 HG13 ILE A 90 -8.846 -8.753 -10.797 1.00 2.83 H new ATOM 0 HG21 ILE A 90 -7.368 -8.718 -12.791 1.00 2.23 H new ATOM 0 HG22 ILE A 90 -5.600 -8.670 -12.596 1.00 2.23 H new ATOM 0 HG23 ILE A 90 -6.490 -10.176 -12.271 1.00 2.23 H new ATOM 0 HD11 ILE A 90 -9.137 -10.986 -9.840 1.00 3.26 H new ATOM 0 HD12 ILE A 90 -8.070 -11.051 -11.262 1.00 3.26 H new ATOM 0 HD13 ILE A 90 -7.377 -11.138 -9.625 1.00 3.26 H new ATOM 1047 N LYS A 91 -3.916 -7.423 -10.225 1.00 1.32 N ATOM 1048 CA LYS A 91 -2.713 -6.769 -10.708 1.00 1.13 C ATOM 1049 C LYS A 91 -2.109 -5.937 -9.582 1.00 1.05 C ATOM 1050 O LYS A 91 -2.701 -5.816 -8.508 1.00 1.59 O ATOM 1051 CB LYS A 91 -3.039 -5.878 -11.905 1.00 1.58 C ATOM 1052 CG LYS A 91 -4.120 -6.430 -12.825 1.00 2.04 C ATOM 1053 CD LYS A 91 -3.532 -7.277 -13.942 1.00 2.66 C ATOM 1054 CE LYS A 91 -4.597 -7.675 -14.951 1.00 3.45 C ATOM 1055 NZ LYS A 91 -5.377 -6.498 -15.430 1.00 3.95 N ATOM 0 H LYS A 91 -4.512 -6.821 -9.656 1.00 1.32 H new ATOM 0 HA LYS A 91 -1.995 -7.524 -11.028 1.00 1.13 H new ATOM 0 HB2 LYS A 91 -3.354 -4.901 -11.540 1.00 1.58 H new ATOM 0 HB3 LYS A 91 -2.129 -5.723 -12.485 1.00 1.58 H new ATOM 0 HG2 LYS A 91 -4.820 -7.030 -12.244 1.00 2.04 H new ATOM 0 HG3 LYS A 91 -4.688 -5.605 -13.255 1.00 2.04 H new ATOM 0 HD2 LYS A 91 -2.741 -6.721 -14.445 1.00 2.66 H new ATOM 0 HD3 LYS A 91 -3.074 -8.172 -13.521 1.00 2.66 H new ATOM 0 HE2 LYS A 91 -4.125 -8.168 -15.801 1.00 3.45 H new ATOM 0 HE3 LYS A 91 -5.274 -8.399 -14.498 1.00 3.45 H new ATOM 0 HZ1 LYS A 91 -5.841 -6.732 -16.331 1.00 3.95 H new ATOM 0 HZ2 LYS A 91 -6.099 -6.249 -14.724 1.00 3.95 H new ATOM 0 HZ3 LYS A 91 -4.736 -5.691 -15.570 1.00 3.95 H new ATOM 1069 N GLN A 92 -0.933 -5.371 -9.822 1.00 0.75 N ATOM 1070 CA GLN A 92 -0.250 -4.567 -8.822 1.00 0.67 C ATOM 1071 C GLN A 92 -1.066 -3.334 -8.504 1.00 0.54 C ATOM 1072 O GLN A 92 -2.057 -3.080 -9.166 1.00 0.77 O ATOM 1073 CB GLN A 92 1.132 -4.182 -9.334 1.00 0.79 C ATOM 1074 CG GLN A 92 2.070 -3.664 -8.265 1.00 1.38 C ATOM 1075 CD GLN A 92 1.948 -4.407 -6.947 1.00 2.14 C ATOM 1076 OE1 GLN A 92 1.394 -3.884 -5.980 1.00 3.03 O ATOM 1077 NE2 GLN A 92 2.425 -5.645 -6.910 1.00 2.16 N ATOM 0 H GLN A 92 -0.432 -5.456 -10.706 1.00 0.75 H new ATOM 0 HA GLN A 92 -0.135 -5.147 -7.906 1.00 0.67 H new ATOM 0 HB2 GLN A 92 1.586 -5.052 -9.809 1.00 0.79 H new ATOM 0 HB3 GLN A 92 1.022 -3.419 -10.105 1.00 0.79 H new ATOM 0 HG2 GLN A 92 3.096 -3.741 -8.624 1.00 1.38 H new ATOM 0 HG3 GLN A 92 1.870 -2.606 -8.097 1.00 1.38 H new ATOM 0 HE21 GLN A 92 2.878 -6.042 -7.733 1.00 2.16 H new ATOM 0 HE22 GLN A 92 2.339 -6.199 -6.058 1.00 2.16 H new ATOM 1086 N VAL A 93 -0.669 -2.583 -7.480 1.00 0.43 N ATOM 1087 CA VAL A 93 -1.428 -1.403 -7.086 1.00 0.44 C ATOM 1088 C VAL A 93 -0.666 -0.128 -7.388 1.00 0.75 C ATOM 1089 O VAL A 93 0.508 -0.172 -7.741 1.00 1.27 O ATOM 1090 CB VAL A 93 -1.829 -1.418 -5.592 1.00 0.75 C ATOM 1091 CG1 VAL A 93 -3.314 -1.144 -5.467 1.00 1.23 C ATOM 1092 CG2 VAL A 93 -1.473 -2.738 -4.913 1.00 1.73 C ATOM 0 H VAL A 93 0.161 -2.767 -6.917 1.00 0.43 H new ATOM 0 HA VAL A 93 -2.342 -1.429 -7.679 1.00 0.44 H new ATOM 0 HB VAL A 93 -1.264 -0.637 -5.084 1.00 0.75 H new ATOM 0 HG11 VAL A 93 -3.599 -1.154 -4.415 1.00 1.23 H new ATOM 0 HG12 VAL A 93 -3.541 -0.168 -5.895 1.00 1.23 H new ATOM 0 HG13 VAL A 93 -3.872 -1.913 -6.001 1.00 1.23 H new ATOM 0 HG21 VAL A 93 -1.773 -2.701 -3.866 1.00 1.73 H new ATOM 0 HG22 VAL A 93 -1.994 -3.556 -5.411 1.00 1.73 H new ATOM 0 HG23 VAL A 93 -0.397 -2.901 -4.976 1.00 1.73 H new ATOM 1102 N VAL A 94 -1.363 1.004 -7.288 1.00 1.05 N ATOM 1103 CA VAL A 94 -0.772 2.293 -7.616 1.00 1.51 C ATOM 1104 C VAL A 94 -0.347 3.083 -6.393 1.00 1.18 C ATOM 1105 O VAL A 94 -1.044 3.137 -5.380 1.00 1.87 O ATOM 1106 CB VAL A 94 -1.757 3.163 -8.426 1.00 2.63 C ATOM 1107 CG1 VAL A 94 -1.026 4.310 -9.105 1.00 3.59 C ATOM 1108 CG2 VAL A 94 -2.522 2.327 -9.445 1.00 3.01 C ATOM 0 H VAL A 94 -2.335 1.050 -6.983 1.00 1.05 H new ATOM 0 HA VAL A 94 0.116 2.062 -8.205 1.00 1.51 H new ATOM 0 HB VAL A 94 -2.483 3.584 -7.731 1.00 2.63 H new ATOM 0 HG11 VAL A 94 -1.738 4.911 -9.671 1.00 3.59 H new ATOM 0 HG12 VAL A 94 -0.545 4.932 -8.350 1.00 3.59 H new ATOM 0 HG13 VAL A 94 -0.271 3.910 -9.781 1.00 3.59 H new ATOM 0 HG21 VAL A 94 -3.208 2.967 -10.000 1.00 3.01 H new ATOM 0 HG22 VAL A 94 -1.819 1.863 -10.137 1.00 3.01 H new ATOM 0 HG23 VAL A 94 -3.088 1.552 -8.928 1.00 3.01 H new ATOM 1118 N PHE A 95 0.816 3.703 -6.524 1.00 0.67 N ATOM 1119 CA PHE A 95 1.397 4.519 -5.476 1.00 0.49 C ATOM 1120 C PHE A 95 0.386 5.537 -4.969 1.00 0.59 C ATOM 1121 O PHE A 95 -0.469 6.007 -5.720 1.00 1.09 O ATOM 1122 CB PHE A 95 2.636 5.234 -6.019 1.00 0.90 C ATOM 1123 CG PHE A 95 2.326 6.179 -7.149 1.00 1.91 C ATOM 1124 CD1 PHE A 95 2.177 5.702 -8.441 1.00 2.38 C ATOM 1125 CD2 PHE A 95 2.189 7.542 -6.921 1.00 2.81 C ATOM 1126 CE1 PHE A 95 1.896 6.563 -9.484 1.00 3.55 C ATOM 1127 CE2 PHE A 95 1.908 8.407 -7.963 1.00 3.99 C ATOM 1128 CZ PHE A 95 1.748 7.935 -9.227 1.00 4.33 C ATOM 0 H PHE A 95 1.385 3.652 -7.369 1.00 0.67 H new ATOM 0 HA PHE A 95 1.683 3.877 -4.643 1.00 0.49 H new ATOM 0 HB2 PHE A 95 3.112 5.788 -5.210 1.00 0.90 H new ATOM 0 HB3 PHE A 95 3.356 4.491 -6.362 1.00 0.90 H new ATOM 0 HD1 PHE A 95 2.282 4.645 -8.635 1.00 2.38 H new ATOM 0 HD2 PHE A 95 2.303 7.931 -5.920 1.00 2.81 H new ATOM 0 HE1 PHE A 95 1.791 6.183 -10.490 1.00 3.55 H new ATOM 0 HE2 PHE A 95 1.815 9.466 -7.770 1.00 3.99 H new ATOM 0 HZ PHE A 95 1.508 8.614 -10.032 1.00 4.33 H new ATOM 1138 N ASP A 96 0.482 5.868 -3.688 1.00 0.71 N ATOM 1139 CA ASP A 96 -0.438 6.825 -3.083 1.00 0.81 C ATOM 1140 C ASP A 96 -0.209 8.232 -3.633 1.00 0.85 C ATOM 1141 O ASP A 96 -0.885 8.657 -4.570 1.00 1.36 O ATOM 1142 CB ASP A 96 -0.296 6.821 -1.557 1.00 1.11 C ATOM 1143 CG ASP A 96 -1.122 7.906 -0.889 1.00 1.67 C ATOM 1144 OD1 ASP A 96 -2.365 7.788 -0.884 1.00 2.45 O ATOM 1145 OD2 ASP A 96 -0.524 8.874 -0.376 1.00 1.69 O ATOM 0 H ASP A 96 1.183 5.491 -3.050 1.00 0.71 H new ATOM 0 HA ASP A 96 -1.453 6.520 -3.340 1.00 0.81 H new ATOM 0 HB2 ASP A 96 -0.600 5.848 -1.170 1.00 1.11 H new ATOM 0 HB3 ASP A 96 0.753 6.955 -1.293 1.00 1.11 H new ATOM 1150 N ARG A 97 0.736 8.953 -3.039 1.00 0.97 N ATOM 1151 CA ARG A 97 1.037 10.317 -3.470 1.00 1.31 C ATOM 1152 C ARG A 97 2.540 10.578 -3.506 1.00 1.52 C ATOM 1153 O ARG A 97 3.038 11.248 -4.411 1.00 1.99 O ATOM 1154 CB ARG A 97 0.366 11.323 -2.533 1.00 1.45 C ATOM 1155 CG ARG A 97 0.529 12.769 -2.972 1.00 1.62 C ATOM 1156 CD ARG A 97 -0.099 13.015 -4.334 1.00 1.98 C ATOM 1157 NE ARG A 97 -0.004 14.417 -4.731 1.00 2.55 N ATOM 1158 CZ ARG A 97 -0.589 14.919 -5.814 1.00 3.26 C ATOM 1159 NH1 ARG A 97 -1.305 14.137 -6.610 1.00 3.49 N ATOM 1160 NH2 ARG A 97 -0.459 16.207 -6.100 1.00 4.10 N ATOM 0 H ARG A 97 1.305 8.619 -2.261 1.00 0.97 H new ATOM 0 HA ARG A 97 0.648 10.436 -4.481 1.00 1.31 H new ATOM 0 HB2 ARG A 97 -0.697 11.091 -2.466 1.00 1.45 H new ATOM 0 HB3 ARG A 97 0.782 11.207 -1.532 1.00 1.45 H new ATOM 0 HG2 ARG A 97 0.070 13.428 -2.235 1.00 1.62 H new ATOM 0 HG3 ARG A 97 1.589 13.021 -3.009 1.00 1.62 H new ATOM 0 HD2 ARG A 97 0.395 12.392 -5.080 1.00 1.98 H new ATOM 0 HD3 ARG A 97 -1.146 12.714 -4.311 1.00 1.98 H new ATOM 0 HE ARG A 97 0.542 15.047 -4.144 1.00 2.55 H new ATOM 0 HH11 ARG A 97 -1.409 13.146 -6.392 1.00 3.49 H new ATOM 0 HH12 ARG A 97 -1.752 14.527 -7.440 1.00 3.49 H new ATOM 0 HH21 ARG A 97 0.090 16.812 -5.489 1.00 4.10 H new ATOM 0 HH22 ARG A 97 -0.908 16.593 -6.931 1.00 4.10 H new ATOM 1174 N GLY A 98 3.257 10.059 -2.514 1.00 1.57 N ATOM 1175 CA GLY A 98 4.691 10.264 -2.450 1.00 1.94 C ATOM 1176 C GLY A 98 5.476 9.293 -3.312 1.00 1.60 C ATOM 1177 O GLY A 98 6.696 9.197 -3.182 1.00 2.16 O ATOM 0 H GLY A 98 2.870 9.500 -1.754 1.00 1.57 H new ATOM 0 HA2 GLY A 98 4.920 11.283 -2.763 1.00 1.94 H new ATOM 0 HA3 GLY A 98 5.019 10.167 -1.415 1.00 1.94 H new ATOM 1181 N GLY A 99 4.789 8.574 -4.194 1.00 1.23 N ATOM 1182 CA GLY A 99 5.464 7.631 -5.060 1.00 1.25 C ATOM 1183 C GLY A 99 5.825 8.234 -6.407 1.00 1.56 C ATOM 1184 O GLY A 99 6.806 7.836 -7.030 1.00 2.33 O ATOM 0 H GLY A 99 3.779 8.629 -4.323 1.00 1.23 H new ATOM 0 HA2 GLY A 99 6.371 7.277 -4.569 1.00 1.25 H new ATOM 0 HA3 GLY A 99 4.824 6.762 -5.214 1.00 1.25 H new ATOM 1188 N TYR A 100 5.030 9.204 -6.854 1.00 1.47 N ATOM 1189 CA TYR A 100 5.260 9.876 -8.134 1.00 1.80 C ATOM 1190 C TYR A 100 5.541 8.881 -9.263 1.00 1.69 C ATOM 1191 O TYR A 100 5.487 7.670 -9.064 1.00 2.19 O ATOM 1192 CB TYR A 100 6.399 10.901 -8.023 1.00 2.04 C ATOM 1193 CG TYR A 100 7.440 10.579 -6.984 1.00 1.95 C ATOM 1194 CD1 TYR A 100 7.292 10.972 -5.662 1.00 2.11 C ATOM 1195 CD2 TYR A 100 8.570 9.860 -7.331 1.00 2.40 C ATOM 1196 CE1 TYR A 100 8.247 10.662 -4.716 1.00 2.30 C ATOM 1197 CE2 TYR A 100 9.527 9.543 -6.395 1.00 2.59 C ATOM 1198 CZ TYR A 100 9.354 10.023 -5.052 1.00 2.40 C ATOM 1199 OH TYR A 100 10.321 9.633 -4.147 1.00 2.76 O ATOM 0 H TYR A 100 4.214 9.545 -6.345 1.00 1.47 H new ATOM 0 HA TYR A 100 4.341 10.405 -8.384 1.00 1.80 H new ATOM 0 HB2 TYR A 100 6.888 10.986 -8.993 1.00 2.04 H new ATOM 0 HB3 TYR A 100 5.970 11.877 -7.796 1.00 2.04 H new ATOM 0 HD1 TYR A 100 6.415 11.530 -5.369 1.00 2.11 H new ATOM 0 HD2 TYR A 100 8.703 9.542 -8.355 1.00 2.40 H new ATOM 0 HE1 TYR A 100 8.088 10.946 -3.686 1.00 2.30 H new ATOM 0 HE2 TYR A 100 10.387 8.948 -6.663 1.00 2.59 H new ATOM 0 HH TYR A 100 11.047 9.177 -4.621 1.00 2.76 H new ATOM 1209 N LEU A 101 5.833 9.411 -10.455 1.00 1.42 N ATOM 1210 CA LEU A 101 6.117 8.580 -11.632 1.00 1.38 C ATOM 1211 C LEU A 101 7.346 7.691 -11.422 1.00 1.16 C ATOM 1212 O LEU A 101 7.576 6.753 -12.184 1.00 1.18 O ATOM 1213 CB LEU A 101 6.319 9.459 -12.870 1.00 1.57 C ATOM 1214 CG LEU A 101 5.059 10.157 -13.390 1.00 1.80 C ATOM 1215 CD1 LEU A 101 4.618 11.254 -12.434 1.00 2.20 C ATOM 1216 CD2 LEU A 101 5.299 10.725 -14.780 1.00 2.28 C ATOM 0 H LEU A 101 5.879 10.415 -10.632 1.00 1.42 H new ATOM 0 HA LEU A 101 5.255 7.930 -11.784 1.00 1.38 H new ATOM 0 HB2 LEU A 101 7.066 10.219 -12.638 1.00 1.57 H new ATOM 0 HB3 LEU A 101 6.729 8.843 -13.670 1.00 1.57 H new ATOM 0 HG LEU A 101 4.260 9.418 -13.453 1.00 1.80 H new ATOM 0 HD11 LEU A 101 3.721 11.737 -12.823 1.00 2.20 H new ATOM 0 HD12 LEU A 101 4.402 10.821 -11.457 1.00 2.20 H new ATOM 0 HD13 LEU A 101 5.414 11.992 -12.335 1.00 2.20 H new ATOM 0 HD21 LEU A 101 4.393 11.217 -15.133 1.00 2.28 H new ATOM 0 HD22 LEU A 101 6.114 11.448 -14.742 1.00 2.28 H new ATOM 0 HD23 LEU A 101 5.563 9.917 -15.463 1.00 2.28 H new ATOM 1228 N TYR A 102 8.125 7.998 -10.381 1.00 1.11 N ATOM 1229 CA TYR A 102 9.337 7.253 -10.023 1.00 0.96 C ATOM 1230 C TYR A 102 10.576 7.888 -10.624 1.00 1.03 C ATOM 1231 O TYR A 102 10.657 8.126 -11.829 1.00 1.54 O ATOM 1232 CB TYR A 102 9.240 5.768 -10.389 1.00 0.93 C ATOM 1233 CG TYR A 102 7.905 5.183 -10.036 1.00 0.90 C ATOM 1234 CD1 TYR A 102 7.256 5.604 -8.891 1.00 0.95 C ATOM 1235 CD2 TYR A 102 7.285 4.239 -10.840 1.00 0.93 C ATOM 1236 CE1 TYR A 102 6.019 5.109 -8.549 1.00 1.05 C ATOM 1237 CE2 TYR A 102 6.046 3.735 -10.501 1.00 1.01 C ATOM 1238 CZ TYR A 102 5.416 4.174 -9.359 1.00 1.06 C ATOM 1239 OH TYR A 102 4.178 3.675 -9.030 1.00 1.25 O ATOM 0 H TYR A 102 7.930 8.780 -9.755 1.00 1.11 H new ATOM 0 HA TYR A 102 9.426 7.305 -8.938 1.00 0.96 H new ATOM 0 HB2 TYR A 102 9.417 5.647 -11.458 1.00 0.93 H new ATOM 0 HB3 TYR A 102 10.025 5.216 -9.872 1.00 0.93 H new ATOM 0 HD1 TYR A 102 7.729 6.336 -8.253 1.00 0.95 H new ATOM 0 HD2 TYR A 102 7.776 3.895 -11.739 1.00 0.93 H new ATOM 0 HE1 TYR A 102 5.525 5.451 -7.652 1.00 1.05 H new ATOM 0 HE2 TYR A 102 5.571 2.997 -11.131 1.00 1.01 H new ATOM 0 HH TYR A 102 3.741 4.279 -8.394 1.00 1.25 H new ATOM 1249 N HIS A 103 11.527 8.176 -9.749 1.00 0.77 N ATOM 1250 CA HIS A 103 12.773 8.810 -10.126 1.00 0.89 C ATOM 1251 C HIS A 103 13.603 9.119 -8.879 1.00 0.87 C ATOM 1252 O HIS A 103 14.831 9.039 -8.900 1.00 1.36 O ATOM 1253 CB HIS A 103 12.471 10.093 -10.895 1.00 1.19 C ATOM 1254 CG HIS A 103 13.683 10.918 -11.192 1.00 1.63 C ATOM 1255 ND1 HIS A 103 14.631 11.427 -10.371 1.00 2.23 N flip ATOM 1256 CD2 HIS A 103 14.029 11.315 -12.467 1.00 2.09 C flip ATOM 1257 CE1 HIS A 103 15.523 12.115 -11.156 1.00 2.54 C flip ATOM 1258 NE2 HIS A 103 15.137 12.033 -12.416 1.00 2.39 N flip ATOM 0 H HIS A 103 11.452 7.974 -8.752 1.00 0.77 H new ATOM 0 HA HIS A 103 13.347 8.137 -10.762 1.00 0.89 H new ATOM 0 HB2 HIS A 103 11.979 9.836 -11.833 1.00 1.19 H new ATOM 0 HB3 HIS A 103 11.766 10.693 -10.319 1.00 1.19 H new ATOM 0 HD2 HIS A 103 13.480 11.076 -13.366 1.00 2.09 H new ATOM 0 HE1 HIS A 103 16.398 12.638 -10.801 1.00 2.54 H new ATOM 0 HE2 HIS A 103 15.613 12.453 -13.214 1.00 2.39 H new ATOM 1267 N GLY A 104 12.913 9.465 -7.789 1.00 0.90 N ATOM 1268 CA GLY A 104 13.588 9.776 -6.540 1.00 0.97 C ATOM 1269 C GLY A 104 13.846 8.544 -5.687 1.00 0.93 C ATOM 1270 O GLY A 104 14.301 7.518 -6.191 1.00 1.07 O ATOM 0 H GLY A 104 11.896 9.535 -7.752 1.00 0.90 H new ATOM 0 HA2 GLY A 104 14.537 10.267 -6.757 1.00 0.97 H new ATOM 0 HA3 GLY A 104 12.985 10.485 -5.973 1.00 0.97 H new ATOM 1274 N ARG A 105 13.570 8.651 -4.388 1.00 0.88 N ATOM 1275 CA ARG A 105 13.791 7.538 -3.465 1.00 0.90 C ATOM 1276 C ARG A 105 12.542 6.667 -3.304 1.00 0.73 C ATOM 1277 O ARG A 105 12.573 5.467 -3.564 1.00 0.92 O ATOM 1278 CB ARG A 105 14.221 8.065 -2.094 1.00 1.06 C ATOM 1279 CG ARG A 105 15.367 9.062 -2.145 1.00 1.51 C ATOM 1280 CD ARG A 105 16.579 8.491 -2.864 1.00 1.92 C ATOM 1281 NE ARG A 105 16.582 8.824 -4.286 1.00 2.44 N ATOM 1282 CZ ARG A 105 17.516 8.411 -5.136 1.00 3.16 C ATOM 1283 NH1 ARG A 105 18.512 7.646 -4.710 1.00 3.59 N ATOM 1284 NH2 ARG A 105 17.458 8.766 -6.412 1.00 3.76 N ATOM 0 H ARG A 105 13.195 9.493 -3.952 1.00 0.88 H new ATOM 0 HA ARG A 105 14.581 6.920 -3.891 1.00 0.90 H new ATOM 0 HB2 ARG A 105 13.364 8.537 -1.613 1.00 1.06 H new ATOM 0 HB3 ARG A 105 14.514 7.222 -1.468 1.00 1.06 H new ATOM 0 HG2 ARG A 105 15.038 9.969 -2.652 1.00 1.51 H new ATOM 0 HG3 ARG A 105 15.647 9.347 -1.131 1.00 1.51 H new ATOM 0 HD2 ARG A 105 17.488 8.874 -2.401 1.00 1.92 H new ATOM 0 HD3 ARG A 105 16.593 7.408 -2.746 1.00 1.92 H new ATOM 0 HE ARG A 105 15.826 9.406 -4.646 1.00 2.44 H new ATOM 0 HH11 ARG A 105 18.562 7.374 -3.728 1.00 3.59 H new ATOM 0 HH12 ARG A 105 19.228 7.330 -5.364 1.00 3.59 H new ATOM 0 HH21 ARG A 105 16.695 9.357 -6.743 1.00 3.76 H new ATOM 0 HH22 ARG A 105 18.176 8.448 -7.063 1.00 3.76 H new ATOM 1298 N VAL A 106 11.449 7.283 -2.860 1.00 0.59 N ATOM 1299 CA VAL A 106 10.187 6.573 -2.639 1.00 0.62 C ATOM 1300 C VAL A 106 9.771 5.754 -3.855 1.00 0.67 C ATOM 1301 O VAL A 106 8.993 4.794 -3.753 1.00 0.70 O ATOM 1302 CB VAL A 106 9.055 7.558 -2.307 1.00 0.79 C ATOM 1303 CG1 VAL A 106 7.772 6.809 -1.994 1.00 1.42 C ATOM 1304 CG2 VAL A 106 9.454 8.465 -1.153 1.00 1.76 C ATOM 0 H VAL A 106 11.410 8.279 -2.644 1.00 0.59 H new ATOM 0 HA VAL A 106 10.357 5.899 -1.799 1.00 0.62 H new ATOM 0 HB VAL A 106 8.876 8.185 -3.180 1.00 0.79 H new ATOM 0 HG11 VAL A 106 6.982 7.523 -1.761 1.00 1.42 H new ATOM 0 HG12 VAL A 106 7.479 6.212 -2.858 1.00 1.42 H new ATOM 0 HG13 VAL A 106 7.933 6.154 -1.138 1.00 1.42 H new ATOM 0 HG21 VAL A 106 8.639 9.155 -0.934 1.00 1.76 H new ATOM 0 HG22 VAL A 106 9.665 7.860 -0.271 1.00 1.76 H new ATOM 0 HG23 VAL A 106 10.345 9.031 -1.426 1.00 1.76 H new ATOM 1314 N LYS A 107 10.277 6.149 -5.009 1.00 0.76 N ATOM 1315 CA LYS A 107 9.965 5.490 -6.240 1.00 0.89 C ATOM 1316 C LYS A 107 10.250 3.999 -6.175 1.00 0.75 C ATOM 1317 O LYS A 107 9.481 3.212 -6.691 1.00 0.76 O ATOM 1318 CB LYS A 107 10.768 6.145 -7.343 1.00 1.17 C ATOM 1319 CG LYS A 107 12.270 6.073 -7.145 1.00 1.89 C ATOM 1320 CD LYS A 107 12.858 4.854 -7.830 1.00 2.96 C ATOM 1321 CE LYS A 107 14.302 4.623 -7.422 1.00 3.87 C ATOM 1322 NZ LYS A 107 15.178 5.766 -7.797 1.00 4.87 N ATOM 0 H LYS A 107 10.916 6.938 -5.107 1.00 0.76 H new ATOM 0 HA LYS A 107 8.898 5.590 -6.439 1.00 0.89 H new ATOM 0 HB2 LYS A 107 10.515 5.672 -8.292 1.00 1.17 H new ATOM 0 HB3 LYS A 107 10.473 7.191 -7.420 1.00 1.17 H new ATOM 0 HG2 LYS A 107 12.735 6.975 -7.542 1.00 1.89 H new ATOM 0 HG3 LYS A 107 12.497 6.039 -6.080 1.00 1.89 H new ATOM 0 HD2 LYS A 107 12.264 3.975 -7.581 1.00 2.96 H new ATOM 0 HD3 LYS A 107 12.801 4.981 -8.911 1.00 2.96 H new ATOM 0 HE2 LYS A 107 14.353 4.465 -6.345 1.00 3.87 H new ATOM 0 HE3 LYS A 107 14.671 3.713 -7.895 1.00 3.87 H new ATOM 0 HZ1 LYS A 107 16.167 5.447 -7.837 1.00 4.87 H new ATOM 0 HZ2 LYS A 107 14.894 6.130 -8.729 1.00 4.87 H new ATOM 0 HZ3 LYS A 107 15.086 6.521 -7.088 1.00 4.87 H new ATOM 1336 N ALA A 108 11.356 3.611 -5.549 1.00 0.77 N ATOM 1337 CA ALA A 108 11.713 2.195 -5.452 1.00 0.73 C ATOM 1338 C ALA A 108 10.533 1.349 -4.990 1.00 0.63 C ATOM 1339 O ALA A 108 10.239 0.307 -5.576 1.00 0.68 O ATOM 1340 CB ALA A 108 12.897 2.002 -4.520 1.00 0.85 C ATOM 0 H ALA A 108 12.017 4.248 -5.104 1.00 0.77 H new ATOM 0 HA ALA A 108 11.994 1.860 -6.451 1.00 0.73 H new ATOM 0 HB1 ALA A 108 13.146 0.942 -4.462 1.00 0.85 H new ATOM 0 HB2 ALA A 108 13.755 2.556 -4.902 1.00 0.85 H new ATOM 0 HB3 ALA A 108 12.641 2.369 -3.526 1.00 0.85 H new ATOM 1346 N LEU A 109 9.859 1.798 -3.939 1.00 0.70 N ATOM 1347 CA LEU A 109 8.713 1.071 -3.406 1.00 0.80 C ATOM 1348 C LEU A 109 7.642 0.898 -4.479 1.00 0.66 C ATOM 1349 O LEU A 109 7.323 -0.224 -4.889 1.00 0.76 O ATOM 1350 CB LEU A 109 8.127 1.817 -2.207 1.00 1.05 C ATOM 1351 CG LEU A 109 9.157 2.467 -1.280 1.00 1.76 C ATOM 1352 CD1 LEU A 109 8.493 2.973 -0.009 1.00 2.64 C ATOM 1353 CD2 LEU A 109 10.271 1.484 -0.948 1.00 2.27 C ATOM 0 H LEU A 109 10.084 2.659 -3.440 1.00 0.70 H new ATOM 0 HA LEU A 109 9.051 0.086 -3.085 1.00 0.80 H new ATOM 0 HB2 LEU A 109 7.453 2.591 -2.574 1.00 1.05 H new ATOM 0 HB3 LEU A 109 7.525 1.120 -1.624 1.00 1.05 H new ATOM 0 HG LEU A 109 9.594 3.320 -1.799 1.00 1.76 H new ATOM 0 HD11 LEU A 109 9.243 3.431 0.636 1.00 2.64 H new ATOM 0 HD12 LEU A 109 7.734 3.712 -0.265 1.00 2.64 H new ATOM 0 HD13 LEU A 109 8.026 2.139 0.514 1.00 2.64 H new ATOM 0 HD21 LEU A 109 10.994 1.963 -0.288 1.00 2.27 H new ATOM 0 HD22 LEU A 109 9.849 0.610 -0.451 1.00 2.27 H new ATOM 0 HD23 LEU A 109 10.768 1.174 -1.867 1.00 2.27 H new ATOM 1365 N ALA A 110 7.104 2.020 -4.943 1.00 0.56 N ATOM 1366 CA ALA A 110 6.080 1.998 -5.982 1.00 0.60 C ATOM 1367 C ALA A 110 6.643 1.450 -7.302 1.00 0.59 C ATOM 1368 O ALA A 110 5.896 1.029 -8.185 1.00 0.70 O ATOM 1369 CB ALA A 110 5.506 3.394 -6.165 1.00 0.79 C ATOM 0 H ALA A 110 7.358 2.953 -4.618 1.00 0.56 H new ATOM 0 HA ALA A 110 5.278 1.329 -5.671 1.00 0.60 H new ATOM 0 HB1 ALA A 110 4.742 3.374 -6.942 1.00 0.79 H new ATOM 0 HB2 ALA A 110 5.063 3.731 -5.228 1.00 0.79 H new ATOM 0 HB3 ALA A 110 6.302 4.079 -6.457 1.00 0.79 H new ATOM 1375 N ASP A 111 7.970 1.459 -7.411 1.00 0.57 N ATOM 1376 CA ASP A 111 8.680 0.974 -8.582 1.00 0.59 C ATOM 1377 C ASP A 111 8.677 -0.547 -8.597 1.00 0.55 C ATOM 1378 O ASP A 111 8.308 -1.166 -9.595 1.00 0.56 O ATOM 1379 CB ASP A 111 10.122 1.485 -8.590 1.00 0.78 C ATOM 1380 CG ASP A 111 10.930 0.923 -9.743 1.00 0.84 C ATOM 1381 OD1 ASP A 111 11.510 -0.171 -9.582 1.00 0.94 O ATOM 1382 OD2 ASP A 111 10.981 1.575 -10.806 1.00 0.88 O ATOM 0 H ASP A 111 8.586 1.809 -6.677 1.00 0.57 H new ATOM 0 HA ASP A 111 8.172 1.347 -9.471 1.00 0.59 H new ATOM 0 HB2 ASP A 111 10.118 2.573 -8.650 1.00 0.78 H new ATOM 0 HB3 ASP A 111 10.604 1.219 -7.649 1.00 0.78 H new ATOM 1387 N ALA A 112 9.067 -1.151 -7.466 1.00 0.61 N ATOM 1388 CA ALA A 112 9.079 -2.608 -7.341 1.00 0.70 C ATOM 1389 C ALA A 112 7.761 -3.161 -7.855 1.00 0.67 C ATOM 1390 O ALA A 112 7.722 -4.108 -8.642 1.00 0.75 O ATOM 1391 CB ALA A 112 9.308 -3.025 -5.893 1.00 0.82 C ATOM 0 H ALA A 112 9.376 -0.653 -6.631 1.00 0.61 H new ATOM 0 HA ALA A 112 9.898 -3.013 -7.935 1.00 0.70 H new ATOM 0 HB1 ALA A 112 9.313 -4.113 -5.824 1.00 0.82 H new ATOM 0 HB2 ALA A 112 10.266 -2.635 -5.549 1.00 0.82 H new ATOM 0 HB3 ALA A 112 8.509 -2.626 -5.269 1.00 0.82 H new ATOM 1397 N ALA A 113 6.681 -2.514 -7.434 1.00 0.64 N ATOM 1398 CA ALA A 113 5.352 -2.888 -7.878 1.00 0.72 C ATOM 1399 C ALA A 113 5.149 -2.413 -9.309 1.00 0.67 C ATOM 1400 O ALA A 113 4.459 -3.052 -10.102 1.00 0.86 O ATOM 1401 CB ALA A 113 4.299 -2.286 -6.960 1.00 0.77 C ATOM 0 H ALA A 113 6.704 -1.727 -6.785 1.00 0.64 H new ATOM 0 HA ALA A 113 5.250 -3.973 -7.843 1.00 0.72 H new ATOM 0 HB1 ALA A 113 3.307 -2.575 -7.306 1.00 0.77 H new ATOM 0 HB2 ALA A 113 4.450 -2.651 -5.944 1.00 0.77 H new ATOM 0 HB3 ALA A 113 4.385 -1.199 -6.971 1.00 0.77 H new ATOM 1407 N ARG A 114 5.762 -1.277 -9.636 1.00 0.57 N ATOM 1408 CA ARG A 114 5.644 -0.717 -10.971 1.00 0.62 C ATOM 1409 C ARG A 114 6.190 -1.663 -12.023 1.00 0.65 C ATOM 1410 O ARG A 114 5.470 -2.121 -12.911 1.00 0.75 O ATOM 1411 CB ARG A 114 6.400 0.595 -11.086 1.00 0.69 C ATOM 1412 CG ARG A 114 6.335 1.207 -12.480 1.00 1.00 C ATOM 1413 CD ARG A 114 4.901 1.357 -12.961 1.00 1.56 C ATOM 1414 NE ARG A 114 4.833 1.836 -14.341 1.00 1.95 N ATOM 1415 CZ ARG A 114 4.817 3.122 -14.686 1.00 2.59 C ATOM 1416 NH1 ARG A 114 4.890 4.068 -13.759 1.00 3.23 N ATOM 1417 NH2 ARG A 114 4.733 3.462 -15.965 1.00 3.01 N ATOM 0 H ARG A 114 6.341 -0.733 -8.996 1.00 0.57 H new ATOM 0 HA ARG A 114 4.580 -0.552 -11.141 1.00 0.62 H new ATOM 0 HB2 ARG A 114 5.994 1.305 -10.366 1.00 0.69 H new ATOM 0 HB3 ARG A 114 7.443 0.430 -10.817 1.00 0.69 H new ATOM 0 HG2 ARG A 114 6.820 2.183 -12.472 1.00 1.00 H new ATOM 0 HG3 ARG A 114 6.890 0.581 -13.179 1.00 1.00 H new ATOM 0 HD2 ARG A 114 4.391 0.397 -12.885 1.00 1.56 H new ATOM 0 HD3 ARG A 114 4.371 2.052 -12.310 1.00 1.56 H new ATOM 0 HE ARG A 114 4.795 1.141 -15.087 1.00 1.95 H new ATOM 0 HH11 ARG A 114 4.959 3.813 -12.774 1.00 3.23 H new ATOM 0 HH12 ARG A 114 4.877 5.051 -14.031 1.00 3.23 H new ATOM 0 HH21 ARG A 114 4.681 2.739 -16.683 1.00 3.01 H new ATOM 0 HH22 ARG A 114 4.721 4.447 -16.231 1.00 3.01 H new ATOM 1431 N GLU A 115 7.479 -1.933 -11.911 1.00 0.63 N ATOM 1432 CA GLU A 115 8.167 -2.806 -12.841 1.00 0.71 C ATOM 1433 C GLU A 115 7.491 -4.165 -12.889 1.00 0.85 C ATOM 1434 O GLU A 115 7.450 -4.818 -13.931 1.00 1.02 O ATOM 1435 CB GLU A 115 9.625 -2.932 -12.418 1.00 0.67 C ATOM 1436 CG GLU A 115 10.502 -3.653 -13.429 1.00 1.21 C ATOM 1437 CD GLU A 115 11.953 -3.724 -12.994 1.00 1.83 C ATOM 1438 OE1 GLU A 115 12.288 -4.625 -12.196 1.00 2.59 O ATOM 1439 OE2 GLU A 115 12.751 -2.879 -13.447 1.00 1.97 O ATOM 0 H GLU A 115 8.075 -1.554 -11.175 1.00 0.63 H new ATOM 0 HA GLU A 115 8.125 -2.382 -13.844 1.00 0.71 H new ATOM 0 HB2 GLU A 115 10.030 -1.935 -12.247 1.00 0.67 H new ATOM 0 HB3 GLU A 115 9.672 -3.463 -11.467 1.00 0.67 H new ATOM 0 HG2 GLU A 115 10.122 -4.663 -13.580 1.00 1.21 H new ATOM 0 HG3 GLU A 115 10.439 -3.142 -14.390 1.00 1.21 H new ATOM 1446 N ALA A 116 6.941 -4.575 -11.753 1.00 0.84 N ATOM 1447 CA ALA A 116 6.240 -5.846 -11.663 1.00 1.03 C ATOM 1448 C ALA A 116 4.952 -5.806 -12.477 1.00 1.11 C ATOM 1449 O ALA A 116 4.465 -6.837 -12.944 1.00 1.28 O ATOM 1450 CB ALA A 116 5.945 -6.189 -10.211 1.00 1.08 C ATOM 0 H ALA A 116 6.968 -4.045 -10.882 1.00 0.84 H new ATOM 0 HA ALA A 116 6.882 -6.624 -12.077 1.00 1.03 H new ATOM 0 HB1 ALA A 116 5.420 -7.143 -10.162 1.00 1.08 H new ATOM 0 HB2 ALA A 116 6.881 -6.261 -9.657 1.00 1.08 H new ATOM 0 HB3 ALA A 116 5.322 -5.409 -9.772 1.00 1.08 H new ATOM 1456 N GLY A 117 4.416 -4.604 -12.651 1.00 1.01 N ATOM 1457 CA GLY A 117 3.198 -4.431 -13.419 1.00 1.09 C ATOM 1458 C GLY A 117 2.155 -3.628 -12.676 1.00 0.98 C ATOM 1459 O GLY A 117 1.234 -4.184 -12.081 1.00 1.07 O ATOM 0 H GLY A 117 4.806 -3.741 -12.271 1.00 1.01 H new ATOM 0 HA2 GLY A 117 3.433 -3.933 -14.360 1.00 1.09 H new ATOM 0 HA3 GLY A 117 2.788 -5.409 -13.670 1.00 1.09 H new ATOM 1463 N LEU A 118 2.324 -2.315 -12.707 1.00 0.99 N ATOM 1464 CA LEU A 118 1.422 -1.394 -12.022 1.00 1.08 C ATOM 1465 C LEU A 118 0.068 -1.248 -12.718 1.00 0.96 C ATOM 1466 O LEU A 118 -0.070 -0.467 -13.658 1.00 1.25 O ATOM 1467 CB LEU A 118 2.078 -0.015 -11.931 1.00 1.61 C ATOM 1468 CG LEU A 118 1.154 1.119 -11.510 1.00 2.05 C ATOM 1469 CD1 LEU A 118 0.505 0.768 -10.191 1.00 2.65 C ATOM 1470 CD2 LEU A 118 1.926 2.425 -11.403 1.00 2.48 C ATOM 0 H LEU A 118 3.087 -1.856 -13.205 1.00 0.99 H new ATOM 0 HA LEU A 118 1.237 -1.813 -11.033 1.00 1.08 H new ATOM 0 HB2 LEU A 118 2.904 -0.070 -11.222 1.00 1.61 H new ATOM 0 HB3 LEU A 118 2.507 0.230 -12.903 1.00 1.61 H new ATOM 0 HG LEU A 118 0.379 1.253 -12.264 1.00 2.05 H new ATOM 0 HD11 LEU A 118 -0.158 1.577 -9.885 1.00 2.65 H new ATOM 0 HD12 LEU A 118 -0.071 -0.151 -10.302 1.00 2.65 H new ATOM 0 HD13 LEU A 118 1.275 0.624 -9.433 1.00 2.65 H new ATOM 0 HD21 LEU A 118 1.249 3.224 -11.101 1.00 2.48 H new ATOM 0 HD22 LEU A 118 2.717 2.320 -10.661 1.00 2.48 H new ATOM 0 HD23 LEU A 118 2.366 2.668 -12.370 1.00 2.48 H new ATOM 1482 N GLU A 119 -0.939 -1.951 -12.215 1.00 0.73 N ATOM 1483 CA GLU A 119 -2.288 -1.838 -12.759 1.00 0.78 C ATOM 1484 C GLU A 119 -3.319 -1.851 -11.629 1.00 0.72 C ATOM 1485 O GLU A 119 -3.534 -2.879 -11.001 1.00 0.66 O ATOM 1486 CB GLU A 119 -2.561 -2.977 -13.741 1.00 0.84 C ATOM 1487 CG GLU A 119 -1.530 -3.089 -14.850 1.00 1.48 C ATOM 1488 CD GLU A 119 -1.619 -1.954 -15.851 1.00 2.17 C ATOM 1489 OE1 GLU A 119 -2.629 -1.885 -16.583 1.00 2.56 O ATOM 1490 OE2 GLU A 119 -0.681 -1.130 -15.901 1.00 2.85 O ATOM 0 H GLU A 119 -0.849 -2.602 -11.435 1.00 0.73 H new ATOM 0 HA GLU A 119 -2.370 -0.891 -13.293 1.00 0.78 H new ATOM 0 HB2 GLU A 119 -2.594 -3.918 -13.192 1.00 0.84 H new ATOM 0 HB3 GLU A 119 -3.546 -2.833 -14.186 1.00 0.84 H new ATOM 0 HG2 GLU A 119 -0.532 -3.104 -14.412 1.00 1.48 H new ATOM 0 HG3 GLU A 119 -1.664 -4.038 -15.370 1.00 1.48 H new ATOM 1497 N PHE A 120 -3.973 -0.722 -11.373 1.00 0.85 N ATOM 1498 CA PHE A 120 -4.979 -0.664 -10.307 1.00 0.91 C ATOM 1499 C PHE A 120 -5.464 0.762 -10.076 1.00 1.15 C ATOM 1500 O PHE A 120 -6.199 0.984 -9.091 1.00 1.57 O ATOM 1501 CB PHE A 120 -4.412 -1.246 -9.012 1.00 0.78 C ATOM 1502 CG PHE A 120 -5.038 -2.548 -8.559 1.00 1.08 C ATOM 1503 CD1 PHE A 120 -6.339 -2.860 -8.934 1.00 1.42 C ATOM 1504 CD2 PHE A 120 -4.346 -3.450 -7.757 1.00 1.53 C ATOM 1505 CE1 PHE A 120 -6.935 -4.036 -8.518 1.00 1.77 C ATOM 1506 CE2 PHE A 120 -4.940 -4.628 -7.343 1.00 1.97 C ATOM 1507 CZ PHE A 120 -6.141 -4.967 -7.731 1.00 1.95 C ATOM 1508 OXT PHE A 120 -5.102 1.647 -10.880 1.00 1.71 O ATOM 0 H PHE A 120 -3.831 0.153 -11.877 1.00 0.85 H new ATOM 0 HA PHE A 120 -5.835 -1.261 -10.622 1.00 0.91 H new ATOM 0 HB2 PHE A 120 -3.341 -1.403 -9.142 1.00 0.78 H new ATOM 0 HB3 PHE A 120 -4.532 -0.509 -8.218 1.00 0.78 H new ATOM 0 HD1 PHE A 120 -6.892 -2.175 -9.559 1.00 1.42 H new ATOM 0 HD2 PHE A 120 -3.333 -3.228 -7.454 1.00 1.53 H new ATOM 0 HE1 PHE A 120 -7.962 -4.257 -8.770 1.00 1.77 H new ATOM 0 HE2 PHE A 120 -4.397 -5.286 -6.681 1.00 1.97 H new ATOM 0 HZ PHE A 120 -6.543 -5.935 -7.468 1.00 1.95 H new