USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 686 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 31 TYR OH : rot 130:sc= -0.854 USER MOD Set 1.2: A 66 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00294) USER MOD Set 2.1: A 42 THR OG1 : rot 180:sc=-0.00764 USER MOD Set 2.2: A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 0 HIS : no HD1:sc=-0.00812 X(o=-0.0081,f=0) USER MOD Single : A 1 MET CE :methyl 165:sc=-0.00792 (180deg=-0.217) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 59:sc= 1.41 USER MOD Single : A -1 SER OG : rot 180:sc= 0 USER MOD Single : A -2 GLY N :NH3+ -125:sc= 0.107 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc=-0.000386 X(o=-0.00039,f=-0.14) USER MOD Single : A 20 SER OG : rot 90:sc= 0.794 USER MOD Single : A 21 SER OG : rot 180:sc= 0.00367 USER MOD Single : A 26 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 30 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 36 LYS NZ :NH3+ -162:sc= 0.534 (180deg=0.377) USER MOD Single : A 37 CYS SG : rot 33:sc=0.000391 USER MOD Single : A 40 LYS NZ :NH3+ -164:sc= 0.339 (180deg=0.236) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 CYS SG : rot 180:sc= 0.0416 USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 75 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.0744) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -12.495 -2.282 1.932 1.00 23.20 N ATOM 2 CA GLY A -2 -12.733 -0.831 1.724 1.00 3.05 C ATOM 3 C GLY A -2 -11.490 -0.133 1.222 1.00 15.41 C ATOM 4 O GLY A -2 -10.529 -0.801 0.833 1.00 35.11 O ATOM 0 H1 GLY A -2 -13.196 -2.830 1.393 1.00 23.20 H new ATOM 0 H2 GLY A -2 -11.539 -2.527 1.605 1.00 23.20 H new ATOM 0 H3 GLY A -2 -12.584 -2.507 2.944 1.00 23.20 H new ATOM 0 HA2 GLY A -2 -13.543 -0.693 1.008 1.00 3.05 H new ATOM 0 HA3 GLY A -2 -13.054 -0.376 2.661 1.00 3.05 H new ATOM 10 N SER A -1 -11.505 1.201 1.218 1.00 12.00 N ATOM 11 CA SER A -1 -10.340 1.986 0.820 1.00 23.20 C ATOM 12 C SER A -1 -10.355 3.360 1.504 1.00 22.05 C ATOM 13 O SER A -1 -11.426 3.916 1.778 1.00 64.45 O ATOM 14 CB SER A -1 -10.301 2.148 -0.711 1.00 72.44 C ATOM 15 OG SER A -1 -9.049 2.651 -1.149 1.00 44.45 O ATOM 0 H SER A -1 -12.315 1.760 1.487 1.00 12.00 H new ATOM 0 HA SER A -1 -9.442 1.455 1.137 1.00 23.20 H new ATOM 0 HB2 SER A -1 -10.493 1.185 -1.185 1.00 72.44 H new ATOM 0 HB3 SER A -1 -11.096 2.823 -1.027 1.00 72.44 H new ATOM 0 HG SER A -1 -9.056 2.741 -2.125 1.00 44.45 H new ATOM 21 N HIS A 0 -9.161 3.882 1.806 1.00 65.44 N ATOM 22 CA HIS A 0 -8.996 5.214 2.408 1.00 3.11 C ATOM 23 C HIS A 0 -7.855 5.948 1.703 1.00 24.24 C ATOM 24 O HIS A 0 -7.031 5.323 1.043 1.00 51.45 O ATOM 25 CB HIS A 0 -8.689 5.150 3.922 1.00 61.33 C ATOM 26 CG HIS A 0 -9.771 4.535 4.769 1.00 52.42 C ATOM 27 ND1 HIS A 0 -11.049 5.051 4.863 1.00 73.15 N ATOM 28 CD2 HIS A 0 -9.768 3.407 5.515 1.00 51.24 C ATOM 29 CE1 HIS A 0 -11.772 4.273 5.648 1.00 12.11 C ATOM 30 NE2 HIS A 0 -11.020 3.266 6.052 1.00 12.21 N ATOM 0 H HIS A 0 -8.280 3.395 1.641 1.00 65.44 H new ATOM 0 HA HIS A 0 -9.941 5.744 2.284 1.00 3.11 H new ATOM 0 HB2 HIS A 0 -7.770 4.582 4.067 1.00 61.33 H new ATOM 0 HB3 HIS A 0 -8.499 6.161 4.281 1.00 61.33 H new ATOM 0 HD2 HIS A 0 -8.931 2.740 5.661 1.00 51.24 H new ATOM 0 HE1 HIS A 0 -12.806 4.434 5.915 1.00 12.11 H new ATOM 0 HE2 HIS A 0 -11.322 2.508 6.664 1.00 12.21 H new ATOM 39 N MET A 1 -7.844 7.276 1.803 1.00 43.11 N ATOM 40 CA MET A 1 -6.725 8.088 1.296 1.00 32.11 C ATOM 41 C MET A 1 -6.247 9.081 2.363 1.00 41.01 C ATOM 42 O MET A 1 -5.456 9.989 2.084 1.00 72.33 O ATOM 43 CB MET A 1 -7.098 8.851 0.005 1.00 63.12 C ATOM 44 CG MET A 1 -7.208 7.984 -1.253 1.00 41.03 C ATOM 45 SD MET A 1 -8.822 7.195 -1.472 1.00 60.42 S ATOM 46 CE MET A 1 -9.845 8.602 -1.909 1.00 24.20 C ATOM 0 H MET A 1 -8.595 7.818 2.230 1.00 43.11 H new ATOM 0 HA MET A 1 -5.917 7.397 1.056 1.00 32.11 H new ATOM 0 HB2 MET A 1 -8.050 9.357 0.163 1.00 63.12 H new ATOM 0 HB3 MET A 1 -6.351 9.625 -0.170 1.00 63.12 H new ATOM 0 HG2 MET A 1 -6.997 8.602 -2.126 1.00 41.03 H new ATOM 0 HG3 MET A 1 -6.440 7.211 -1.216 1.00 41.03 H new ATOM 0 HE1 MET A 1 -10.787 8.250 -2.329 1.00 24.20 H new ATOM 0 HE2 MET A 1 -10.045 9.197 -1.018 1.00 24.20 H new ATOM 0 HE3 MET A 1 -9.326 9.215 -2.646 1.00 24.20 H new ATOM 56 N VAL A 2 -6.718 8.886 3.592 1.00 33.04 N ATOM 57 CA VAL A 2 -6.377 9.753 4.721 1.00 11.12 C ATOM 58 C VAL A 2 -5.719 8.924 5.822 1.00 72.21 C ATOM 59 O VAL A 2 -5.564 7.709 5.651 1.00 63.22 O ATOM 60 CB VAL A 2 -7.625 10.515 5.282 1.00 23.25 C ATOM 61 CG1 VAL A 2 -8.103 11.573 4.295 1.00 74.54 C ATOM 62 CG2 VAL A 2 -8.768 9.551 5.612 1.00 33.22 C ATOM 0 H VAL A 2 -7.348 8.122 3.835 1.00 33.04 H new ATOM 0 HA VAL A 2 -5.679 10.509 4.362 1.00 11.12 H new ATOM 0 HB VAL A 2 -7.318 11.007 6.205 1.00 23.25 H new ATOM 0 HG11 VAL A 2 -8.971 12.089 4.706 1.00 74.54 H new ATOM 0 HG12 VAL A 2 -7.304 12.292 4.117 1.00 74.54 H new ATOM 0 HG13 VAL A 2 -8.377 11.096 3.354 1.00 74.54 H new ATOM 0 HG21 VAL A 2 -9.618 10.113 5.999 1.00 33.22 H new ATOM 0 HG22 VAL A 2 -9.066 9.018 4.709 1.00 33.22 H new ATOM 0 HG23 VAL A 2 -8.435 8.835 6.363 1.00 33.22 H new ATOM 72 N ILE A 3 -5.365 9.597 6.942 1.00 4.41 N ATOM 73 CA ILE A 3 -4.733 8.976 8.131 1.00 62.21 C ATOM 74 C ILE A 3 -3.275 8.582 7.832 1.00 53.25 C ATOM 75 O ILE A 3 -3.008 7.579 7.176 1.00 54.11 O ATOM 76 CB ILE A 3 -5.559 7.761 8.690 1.00 73.40 C ATOM 77 CG1 ILE A 3 -6.981 8.214 9.070 1.00 63.15 C ATOM 78 CG2 ILE A 3 -4.876 7.115 9.899 1.00 35.40 C ATOM 79 CD1 ILE A 3 -7.989 7.083 9.120 1.00 60.23 C ATOM 0 H ILE A 3 -5.512 10.601 7.047 1.00 4.41 H new ATOM 0 HA ILE A 3 -4.727 9.728 8.920 1.00 62.21 H new ATOM 0 HB ILE A 3 -5.615 7.012 7.900 1.00 73.40 H new ATOM 0 HG12 ILE A 3 -6.949 8.703 10.044 1.00 63.15 H new ATOM 0 HG13 ILE A 3 -7.320 8.959 8.350 1.00 63.15 H new ATOM 0 HG21 ILE A 3 -5.479 6.280 10.254 1.00 35.40 H new ATOM 0 HG22 ILE A 3 -3.890 6.753 9.609 1.00 35.40 H new ATOM 0 HG23 ILE A 3 -4.772 7.852 10.695 1.00 35.40 H new ATOM 0 HD11 ILE A 3 -8.967 7.479 9.394 1.00 60.23 H new ATOM 0 HD12 ILE A 3 -8.051 6.608 8.141 1.00 60.23 H new ATOM 0 HD13 ILE A 3 -7.675 6.348 9.861 1.00 60.23 H new ATOM 91 N ARG A 4 -2.338 9.410 8.301 1.00 22.44 N ATOM 92 CA ARG A 4 -0.919 9.196 8.006 1.00 74.30 C ATOM 93 C ARG A 4 -0.184 8.712 9.247 1.00 14.32 C ATOM 94 O ARG A 4 0.475 9.491 9.951 1.00 1.12 O ATOM 95 CB ARG A 4 -0.245 10.456 7.428 1.00 75.12 C ATOM 96 CG ARG A 4 -0.956 11.025 6.205 1.00 64.24 C ATOM 97 CD ARG A 4 -1.833 12.223 6.566 1.00 24.11 C ATOM 98 NE ARG A 4 -3.058 12.277 5.754 1.00 10.53 N ATOM 99 CZ ARG A 4 -3.257 13.090 4.703 1.00 33.14 C ATOM 100 NH1 ARG A 4 -2.305 13.926 4.290 1.00 3.23 N ATOM 101 NH2 ARG A 4 -4.426 13.060 4.064 1.00 41.35 N ATOM 0 H ARG A 4 -2.533 10.226 8.880 1.00 22.44 H new ATOM 0 HA ARG A 4 -0.861 8.424 7.238 1.00 74.30 H new ATOM 0 HB2 ARG A 4 -0.203 11.222 8.202 1.00 75.12 H new ATOM 0 HB3 ARG A 4 0.784 10.216 7.160 1.00 75.12 H new ATOM 0 HG2 ARG A 4 -0.217 11.326 5.462 1.00 64.24 H new ATOM 0 HG3 ARG A 4 -1.570 10.249 5.748 1.00 64.24 H new ATOM 0 HD2 ARG A 4 -2.100 12.171 7.621 1.00 24.11 H new ATOM 0 HD3 ARG A 4 -1.265 13.143 6.426 1.00 24.11 H new ATOM 0 HE ARG A 4 -3.818 11.646 6.009 1.00 10.53 H new ATOM 0 HH11 ARG A 4 -1.407 13.956 4.774 1.00 3.23 H new ATOM 0 HH12 ARG A 4 -2.474 14.536 3.490 1.00 3.23 H new ATOM 0 HH21 ARG A 4 -5.160 12.424 4.374 1.00 41.35 H new ATOM 0 HH22 ARG A 4 -4.586 13.673 3.265 1.00 41.35 H new ATOM 115 N GLU A 5 -0.371 7.423 9.526 1.00 40.13 N ATOM 116 CA GLU A 5 0.222 6.732 10.677 1.00 62.41 C ATOM 117 C GLU A 5 0.053 5.215 10.491 1.00 4.55 C ATOM 118 O GLU A 5 -0.228 4.769 9.372 1.00 33.15 O ATOM 119 CB GLU A 5 -0.406 7.209 12.014 1.00 15.44 C ATOM 120 CG GLU A 5 -1.923 7.113 12.085 1.00 35.22 C ATOM 121 CD GLU A 5 -2.480 7.753 13.343 1.00 34.54 C ATOM 122 OE1 GLU A 5 -2.619 8.995 13.362 1.00 23.32 O ATOM 123 OE2 GLU A 5 -2.773 7.017 14.311 1.00 55.41 O ATOM 0 H GLU A 5 -0.951 6.814 8.948 1.00 40.13 H new ATOM 0 HA GLU A 5 1.284 6.973 10.728 1.00 62.41 H new ATOM 0 HB2 GLU A 5 0.018 6.620 12.827 1.00 15.44 H new ATOM 0 HB3 GLU A 5 -0.115 8.245 12.185 1.00 15.44 H new ATOM 0 HG2 GLU A 5 -2.357 7.597 11.210 1.00 35.22 H new ATOM 0 HG3 GLU A 5 -2.221 6.065 12.050 1.00 35.22 H new ATOM 130 N SER A 6 0.232 4.443 11.589 1.00 32.14 N ATOM 131 CA SER A 6 0.117 2.969 11.589 1.00 5.20 C ATOM 132 C SER A 6 1.230 2.329 10.734 1.00 3.44 C ATOM 133 O SER A 6 2.282 2.941 10.519 1.00 53.04 O ATOM 134 CB SER A 6 -1.291 2.521 11.136 1.00 23.02 C ATOM 135 OG SER A 6 -2.292 3.107 11.950 1.00 54.44 O ATOM 0 H SER A 6 0.462 4.830 12.504 1.00 32.14 H new ATOM 0 HA SER A 6 0.252 2.616 12.612 1.00 5.20 H new ATOM 0 HB2 SER A 6 -1.450 2.804 10.096 1.00 23.02 H new ATOM 0 HB3 SER A 6 -1.365 1.435 11.186 1.00 23.02 H new ATOM 0 HG SER A 6 -3.175 2.812 11.645 1.00 54.44 H new ATOM 141 N VAL A 7 1.026 1.086 10.295 1.00 64.51 N ATOM 142 CA VAL A 7 1.996 0.417 9.443 1.00 31.22 C ATOM 143 C VAL A 7 1.299 -0.608 8.527 1.00 0.45 C ATOM 144 O VAL A 7 0.382 -1.325 8.947 1.00 73.45 O ATOM 145 CB VAL A 7 3.157 -0.223 10.288 1.00 31.12 C ATOM 146 CG1 VAL A 7 2.677 -1.341 11.208 1.00 54.23 C ATOM 147 CG2 VAL A 7 4.284 -0.708 9.391 1.00 31.43 C ATOM 0 H VAL A 7 0.201 0.529 10.517 1.00 64.51 H new ATOM 0 HA VAL A 7 2.460 1.163 8.798 1.00 31.22 H new ATOM 0 HB VAL A 7 3.540 0.569 10.932 1.00 31.12 H new ATOM 0 HG11 VAL A 7 3.524 -1.743 11.765 1.00 54.23 H new ATOM 0 HG12 VAL A 7 1.938 -0.946 11.906 1.00 54.23 H new ATOM 0 HG13 VAL A 7 2.225 -2.134 10.612 1.00 54.23 H new ATOM 0 HG21 VAL A 7 5.073 -1.146 10.003 1.00 31.43 H new ATOM 0 HG22 VAL A 7 3.901 -1.459 8.700 1.00 31.43 H new ATOM 0 HG23 VAL A 7 4.687 0.133 8.826 1.00 31.43 H new ATOM 157 N SER A 8 1.708 -0.616 7.260 1.00 20.42 N ATOM 158 CA SER A 8 1.198 -1.538 6.257 1.00 61.45 C ATOM 159 C SER A 8 1.903 -2.910 6.385 1.00 42.42 C ATOM 160 O SER A 8 3.123 -2.983 6.341 1.00 41.10 O ATOM 161 CB SER A 8 1.415 -0.852 4.886 1.00 74.35 C ATOM 162 OG SER A 8 1.633 -1.756 3.824 1.00 42.42 O ATOM 0 H SER A 8 2.413 0.028 6.900 1.00 20.42 H new ATOM 0 HA SER A 8 0.137 -1.752 6.384 1.00 61.45 H new ATOM 0 HB2 SER A 8 0.544 -0.239 4.655 1.00 74.35 H new ATOM 0 HB3 SER A 8 2.269 -0.179 4.958 1.00 74.35 H new ATOM 0 HG SER A 8 0.861 -2.354 3.740 1.00 42.42 H new ATOM 168 N ARG A 9 1.118 -3.992 6.568 1.00 71.33 N ATOM 169 CA ARG A 9 1.685 -5.335 6.773 1.00 22.54 C ATOM 170 C ARG A 9 0.865 -6.443 6.067 1.00 42.54 C ATOM 171 O ARG A 9 -0.305 -6.260 5.785 1.00 21.32 O ATOM 172 CB ARG A 9 1.797 -5.626 8.280 1.00 24.25 C ATOM 173 CG ARG A 9 0.507 -6.097 8.942 1.00 13.21 C ATOM 174 CD ARG A 9 0.291 -5.465 10.301 1.00 43.41 C ATOM 175 NE ARG A 9 -0.278 -4.115 10.198 1.00 61.15 N ATOM 176 CZ ARG A 9 -1.557 -3.801 10.479 1.00 14.00 C ATOM 177 NH1 ARG A 9 -2.423 -4.734 10.883 1.00 12.54 N ATOM 178 NH2 ARG A 9 -1.975 -2.547 10.336 1.00 60.25 N ATOM 0 H ARG A 9 0.099 -3.960 6.578 1.00 71.33 H new ATOM 0 HA ARG A 9 2.677 -5.344 6.321 1.00 22.54 H new ATOM 0 HB2 ARG A 9 2.564 -6.385 8.432 1.00 24.25 H new ATOM 0 HB3 ARG A 9 2.138 -4.722 8.785 1.00 24.25 H new ATOM 0 HG2 ARG A 9 -0.338 -5.859 8.295 1.00 13.21 H new ATOM 0 HG3 ARG A 9 0.532 -7.182 9.048 1.00 13.21 H new ATOM 0 HD2 ARG A 9 -0.375 -6.095 10.891 1.00 43.41 H new ATOM 0 HD3 ARG A 9 1.241 -5.418 10.834 1.00 43.41 H new ATOM 0 HE ARG A 9 0.339 -3.362 9.892 1.00 61.15 H new ATOM 0 HH11 ARG A 9 -2.119 -5.703 10.983 1.00 12.54 H new ATOM 0 HH12 ARG A 9 -3.388 -4.478 11.091 1.00 12.54 H new ATOM 0 HH21 ARG A 9 -1.328 -1.827 10.015 1.00 60.25 H new ATOM 0 HH22 ARG A 9 -2.943 -2.305 10.548 1.00 60.25 H new ATOM 192 N ILE A 10 1.481 -7.606 5.843 1.00 31.21 N ATOM 193 CA ILE A 10 0.809 -8.772 5.248 1.00 1.44 C ATOM 194 C ILE A 10 0.727 -9.881 6.285 1.00 53.42 C ATOM 195 O ILE A 10 1.700 -10.108 7.030 1.00 23.25 O ATOM 196 CB ILE A 10 1.539 -9.315 3.950 1.00 13.42 C ATOM 197 CG1 ILE A 10 1.176 -8.444 2.740 1.00 30.33 C ATOM 198 CG2 ILE A 10 1.227 -10.799 3.656 1.00 1.11 C ATOM 199 CD1 ILE A 10 1.502 -9.041 1.367 1.00 23.20 C ATOM 0 H ILE A 10 2.462 -7.770 6.068 1.00 31.21 H new ATOM 0 HA ILE A 10 -0.186 -8.450 4.940 1.00 1.44 H new ATOM 0 HB ILE A 10 2.610 -9.255 4.141 1.00 13.42 H new ATOM 0 HG12 ILE A 10 0.108 -8.230 2.778 1.00 30.33 H new ATOM 0 HG13 ILE A 10 1.696 -7.491 2.833 1.00 30.33 H new ATOM 0 HG21 ILE A 10 1.756 -11.111 2.755 1.00 1.11 H new ATOM 0 HG22 ILE A 10 1.550 -11.412 4.497 1.00 1.11 H new ATOM 0 HG23 ILE A 10 0.154 -10.923 3.507 1.00 1.11 H new ATOM 0 HD11 ILE A 10 1.204 -8.342 0.586 1.00 23.20 H new ATOM 0 HD12 ILE A 10 2.574 -9.228 1.297 1.00 23.20 H new ATOM 0 HD13 ILE A 10 0.961 -9.979 1.240 1.00 23.20 H new ATOM 211 N TYR A 11 -0.457 -10.534 6.346 1.00 54.14 N ATOM 212 CA TYR A 11 -0.653 -11.717 7.171 1.00 55.43 C ATOM 213 C TYR A 11 -0.843 -12.934 6.258 1.00 33.51 C ATOM 214 O TYR A 11 -1.850 -13.031 5.538 1.00 63.32 O ATOM 215 CB TYR A 11 -1.890 -11.527 8.068 1.00 32.22 C ATOM 216 CG TYR A 11 -1.986 -12.481 9.249 1.00 60.40 C ATOM 217 CD1 TYR A 11 -2.389 -13.807 9.087 1.00 44.22 C ATOM 218 CD2 TYR A 11 -1.691 -12.046 10.534 1.00 64.30 C ATOM 219 CE1 TYR A 11 -2.486 -14.662 10.167 1.00 41.23 C ATOM 220 CE2 TYR A 11 -1.785 -12.896 11.620 1.00 30.35 C ATOM 221 CZ TYR A 11 -2.185 -14.203 11.430 1.00 51.12 C ATOM 222 OH TYR A 11 -2.280 -15.052 12.508 1.00 43.13 O ATOM 0 H TYR A 11 -1.286 -10.248 5.825 1.00 54.14 H new ATOM 0 HA TYR A 11 0.218 -11.873 7.808 1.00 55.43 H new ATOM 0 HB2 TYR A 11 -1.891 -10.505 8.446 1.00 32.22 H new ATOM 0 HB3 TYR A 11 -2.784 -11.641 7.455 1.00 32.22 H new ATOM 0 HD1 TYR A 11 -2.629 -14.171 8.099 1.00 44.22 H new ATOM 0 HD2 TYR A 11 -1.382 -11.023 10.688 1.00 64.30 H new ATOM 0 HE1 TYR A 11 -2.797 -15.686 10.022 1.00 41.23 H new ATOM 0 HE2 TYR A 11 -1.547 -12.539 12.611 1.00 30.35 H new ATOM 0 HH TYR A 11 -2.032 -14.572 13.325 1.00 43.13 H new ATOM 232 N VAL A 12 0.109 -13.862 6.269 1.00 72.12 N ATOM 233 CA VAL A 12 -0.054 -15.088 5.488 1.00 15.05 C ATOM 234 C VAL A 12 0.088 -16.348 6.377 1.00 73.00 C ATOM 235 O VAL A 12 1.159 -16.669 6.863 1.00 43.54 O ATOM 236 CB VAL A 12 0.882 -15.098 4.224 1.00 12.52 C ATOM 237 CG1 VAL A 12 2.335 -14.834 4.562 1.00 50.42 C ATOM 238 CG2 VAL A 12 0.759 -16.392 3.441 1.00 53.35 C ATOM 0 H VAL A 12 0.981 -13.795 6.795 1.00 72.12 H new ATOM 0 HA VAL A 12 -1.072 -15.111 5.100 1.00 15.05 H new ATOM 0 HB VAL A 12 0.536 -14.275 3.599 1.00 12.52 H new ATOM 0 HG11 VAL A 12 2.930 -14.854 3.649 1.00 50.42 H new ATOM 0 HG12 VAL A 12 2.427 -13.856 5.034 1.00 50.42 H new ATOM 0 HG13 VAL A 12 2.695 -15.602 5.246 1.00 50.42 H new ATOM 0 HG21 VAL A 12 1.422 -16.358 2.576 1.00 53.35 H new ATOM 0 HG22 VAL A 12 1.037 -17.231 4.079 1.00 53.35 H new ATOM 0 HG23 VAL A 12 -0.270 -16.517 3.105 1.00 53.35 H new ATOM 248 N GLY A 13 -1.028 -17.046 6.580 1.00 15.25 N ATOM 249 CA GLY A 13 -1.042 -18.227 7.423 1.00 53.44 C ATOM 250 C GLY A 13 -1.421 -19.485 6.655 1.00 64.11 C ATOM 251 O GLY A 13 -2.002 -19.400 5.570 1.00 44.11 O ATOM 0 H GLY A 13 -1.931 -16.809 6.170 1.00 15.25 H new ATOM 0 HA2 GLY A 13 -0.058 -18.361 7.871 1.00 53.44 H new ATOM 0 HA3 GLY A 13 -1.747 -18.078 8.241 1.00 53.44 H new ATOM 255 N ASN A 14 -1.049 -20.659 7.215 1.00 35.12 N ATOM 256 CA ASN A 14 -1.404 -21.994 6.662 1.00 14.43 C ATOM 257 C ASN A 14 -0.841 -22.197 5.248 1.00 12.31 C ATOM 258 O ASN A 14 -1.394 -22.956 4.454 1.00 23.42 O ATOM 259 CB ASN A 14 -2.932 -22.212 6.641 1.00 53.03 C ATOM 260 CG ASN A 14 -3.593 -22.072 8.002 1.00 32.24 C ATOM 261 OD1 ASN A 14 -4.025 -20.982 8.381 1.00 51.14 O ATOM 262 ND2 ASN A 14 -3.689 -23.168 8.741 1.00 64.04 N ATOM 0 H ASN A 14 -0.491 -20.711 8.067 1.00 35.12 H new ATOM 0 HA ASN A 14 -0.950 -22.730 7.326 1.00 14.43 H new ATOM 0 HB2 ASN A 14 -3.382 -21.495 5.954 1.00 53.03 H new ATOM 0 HB3 ASN A 14 -3.142 -23.206 6.247 1.00 53.03 H new ATOM 0 HD21 ASN A 14 -4.133 -23.127 9.658 1.00 64.04 H new ATOM 0 HD22 ASN A 14 -3.319 -24.052 8.392 1.00 64.04 H new ATOM 269 N LEU A 15 0.282 -21.539 4.970 1.00 33.41 N ATOM 270 CA LEU A 15 0.851 -21.499 3.633 1.00 61.24 C ATOM 271 C LEU A 15 1.734 -22.721 3.360 1.00 25.11 C ATOM 272 O LEU A 15 2.483 -23.160 4.244 1.00 21.24 O ATOM 273 CB LEU A 15 1.639 -20.183 3.386 1.00 33.02 C ATOM 274 CG LEU A 15 2.964 -19.957 4.159 1.00 54.40 C ATOM 275 CD1 LEU A 15 3.837 -18.959 3.410 1.00 1.30 C ATOM 276 CD2 LEU A 15 2.723 -19.446 5.576 1.00 5.14 C ATOM 0 H LEU A 15 0.819 -21.021 5.666 1.00 33.41 H new ATOM 0 HA LEU A 15 0.017 -21.525 2.931 1.00 61.24 H new ATOM 0 HB2 LEU A 15 1.863 -20.126 2.321 1.00 33.02 H new ATOM 0 HB3 LEU A 15 0.974 -19.351 3.617 1.00 33.02 H new ATOM 0 HG LEU A 15 3.466 -20.922 4.229 1.00 54.40 H new ATOM 0 HD11 LEU A 15 4.766 -18.805 3.959 1.00 1.30 H new ATOM 0 HD12 LEU A 15 4.062 -19.347 2.416 1.00 1.30 H new ATOM 0 HD13 LEU A 15 3.308 -18.010 3.318 1.00 1.30 H new ATOM 0 HD21 LEU A 15 3.679 -19.303 6.079 1.00 5.14 H new ATOM 0 HD22 LEU A 15 2.189 -18.497 5.535 1.00 5.14 H new ATOM 0 HD23 LEU A 15 2.128 -20.173 6.129 1.00 5.14 H new ATOM 288 N PRO A 16 1.617 -23.316 2.143 1.00 1.20 N ATOM 289 CA PRO A 16 2.490 -24.425 1.724 1.00 12.33 C ATOM 290 C PRO A 16 3.932 -23.966 1.494 1.00 62.14 C ATOM 291 O PRO A 16 4.172 -23.048 0.700 1.00 51.15 O ATOM 292 CB PRO A 16 1.866 -24.901 0.405 1.00 41.22 C ATOM 293 CG PRO A 16 1.048 -23.757 -0.099 1.00 71.11 C ATOM 294 CD PRO A 16 0.613 -22.971 1.107 1.00 10.34 C ATOM 0 HA PRO A 16 2.550 -25.204 2.484 1.00 12.33 H new ATOM 0 HB2 PRO A 16 2.637 -25.176 -0.315 1.00 41.22 H new ATOM 0 HB3 PRO A 16 1.247 -25.784 0.562 1.00 41.22 H new ATOM 0 HG2 PRO A 16 1.631 -23.134 -0.777 1.00 71.11 H new ATOM 0 HG3 PRO A 16 0.184 -24.116 -0.659 1.00 71.11 H new ATOM 0 HD2 PRO A 16 0.602 -21.900 0.903 1.00 10.34 H new ATOM 0 HD3 PRO A 16 -0.394 -23.246 1.420 1.00 10.34 H new ATOM 302 N SER A 17 4.872 -24.669 2.163 1.00 4.22 N ATOM 303 CA SER A 17 6.309 -24.325 2.205 1.00 3.12 C ATOM 304 C SER A 17 6.539 -22.861 2.629 1.00 51.30 C ATOM 305 O SER A 17 6.540 -21.949 1.787 1.00 14.45 O ATOM 306 CB SER A 17 7.007 -24.636 0.869 1.00 12.53 C ATOM 307 OG SER A 17 8.418 -24.493 0.979 1.00 11.23 O ATOM 0 H SER A 17 4.648 -25.507 2.699 1.00 4.22 H new ATOM 0 HA SER A 17 6.763 -24.957 2.968 1.00 3.12 H new ATOM 0 HB2 SER A 17 6.765 -25.652 0.558 1.00 12.53 H new ATOM 0 HB3 SER A 17 6.631 -23.967 0.095 1.00 12.53 H new ATOM 0 HG SER A 17 8.836 -24.698 0.117 1.00 11.23 H new ATOM 313 N HIS A 18 6.721 -22.658 3.946 1.00 43.11 N ATOM 314 CA HIS A 18 6.904 -21.311 4.517 1.00 40.12 C ATOM 315 C HIS A 18 8.121 -20.605 3.903 1.00 72.42 C ATOM 316 O HIS A 18 9.202 -21.191 3.776 1.00 30.44 O ATOM 317 CB HIS A 18 6.990 -21.346 6.071 1.00 23.43 C ATOM 318 CG HIS A 18 8.051 -22.239 6.660 1.00 51.31 C ATOM 319 ND1 HIS A 18 7.830 -23.564 6.967 1.00 61.50 N ATOM 320 CD2 HIS A 18 9.342 -21.989 6.978 1.00 72.14 C ATOM 321 CE1 HIS A 18 8.937 -24.090 7.454 1.00 13.44 C ATOM 322 NE2 HIS A 18 9.870 -23.155 7.472 1.00 21.54 N ATOM 0 H HIS A 18 6.745 -23.410 4.635 1.00 43.11 H new ATOM 0 HA HIS A 18 6.019 -20.729 4.259 1.00 40.12 H new ATOM 0 HB2 HIS A 18 7.161 -20.330 6.427 1.00 23.43 H new ATOM 0 HB3 HIS A 18 6.022 -21.662 6.460 1.00 23.43 H new ATOM 0 HD2 HIS A 18 9.860 -21.048 6.864 1.00 72.14 H new ATOM 0 HE1 HIS A 18 9.060 -25.112 7.782 1.00 13.44 H new ATOM 0 HE2 HIS A 18 10.828 -23.280 7.800 1.00 21.54 H new ATOM 331 N VAL A 19 7.902 -19.363 3.491 1.00 53.12 N ATOM 332 CA VAL A 19 8.928 -18.574 2.813 1.00 22.43 C ATOM 333 C VAL A 19 10.026 -18.126 3.784 1.00 4.12 C ATOM 334 O VAL A 19 9.751 -17.683 4.908 1.00 11.14 O ATOM 335 CB VAL A 19 8.327 -17.354 2.046 1.00 55.23 C ATOM 336 CG1 VAL A 19 7.759 -17.798 0.703 1.00 61.31 C ATOM 337 CG2 VAL A 19 7.229 -16.653 2.849 1.00 34.53 C ATOM 0 H VAL A 19 7.015 -18.875 3.615 1.00 53.12 H new ATOM 0 HA VAL A 19 9.383 -19.229 2.069 1.00 22.43 H new ATOM 0 HB VAL A 19 9.140 -16.645 1.890 1.00 55.23 H new ATOM 0 HG11 VAL A 19 7.344 -16.936 0.181 1.00 61.31 H new ATOM 0 HG12 VAL A 19 8.553 -18.240 0.100 1.00 61.31 H new ATOM 0 HG13 VAL A 19 6.974 -18.536 0.866 1.00 61.31 H new ATOM 0 HG21 VAL A 19 6.841 -15.811 2.276 1.00 34.53 H new ATOM 0 HG22 VAL A 19 6.422 -17.357 3.053 1.00 34.53 H new ATOM 0 HG23 VAL A 19 7.642 -16.291 3.791 1.00 34.53 H new ATOM 347 N SER A 20 11.270 -18.306 3.347 1.00 1.33 N ATOM 348 CA SER A 20 12.450 -17.964 4.135 1.00 23.35 C ATOM 349 C SER A 20 12.774 -16.480 3.997 1.00 63.31 C ATOM 350 O SER A 20 12.419 -15.884 3.003 1.00 54.41 O ATOM 351 CB SER A 20 13.642 -18.829 3.701 1.00 41.32 C ATOM 352 OG SER A 20 13.394 -19.466 2.457 1.00 64.40 O ATOM 0 H SER A 20 11.488 -18.696 2.430 1.00 1.33 H new ATOM 0 HA SER A 20 12.242 -18.166 5.186 1.00 23.35 H new ATOM 0 HB2 SER A 20 14.534 -18.208 3.622 1.00 41.32 H new ATOM 0 HB3 SER A 20 13.844 -19.582 4.463 1.00 41.32 H new ATOM 0 HG SER A 20 13.699 -18.888 1.727 1.00 64.40 H new ATOM 358 N SER A 21 13.493 -15.923 4.979 1.00 12.43 N ATOM 359 CA SER A 21 13.665 -14.465 5.163 1.00 1.33 C ATOM 360 C SER A 21 14.331 -13.728 3.977 1.00 51.23 C ATOM 361 O SER A 21 14.020 -12.566 3.738 1.00 72.14 O ATOM 362 CB SER A 21 14.460 -14.211 6.448 1.00 63.23 C ATOM 363 OG SER A 21 15.628 -15.021 6.493 1.00 53.52 O ATOM 0 H SER A 21 13.982 -16.476 5.683 1.00 12.43 H new ATOM 0 HA SER A 21 12.659 -14.050 5.226 1.00 1.33 H new ATOM 0 HB2 SER A 21 14.740 -13.159 6.505 1.00 63.23 H new ATOM 0 HB3 SER A 21 13.834 -14.421 7.315 1.00 63.23 H new ATOM 0 HG SER A 21 16.120 -14.840 7.321 1.00 53.52 H new ATOM 369 N ARG A 22 15.232 -14.408 3.248 1.00 31.52 N ATOM 370 CA ARG A 22 15.880 -13.847 2.044 1.00 24.25 C ATOM 371 C ARG A 22 14.860 -13.688 0.902 1.00 52.24 C ATOM 372 O ARG A 22 14.779 -12.635 0.235 1.00 34.30 O ATOM 373 CB ARG A 22 17.044 -14.777 1.600 1.00 2.32 C ATOM 374 CG ARG A 22 17.759 -14.348 0.311 1.00 13.52 C ATOM 375 CD ARG A 22 17.266 -15.111 -0.922 1.00 23.42 C ATOM 376 NE ARG A 22 17.917 -16.416 -1.076 1.00 10.34 N ATOM 377 CZ ARG A 22 18.765 -16.725 -2.067 1.00 31.43 C ATOM 378 NH1 ARG A 22 19.073 -15.831 -3.010 1.00 23.24 N ATOM 379 NH2 ARG A 22 19.311 -17.936 -2.109 1.00 14.53 N ATOM 0 H ARG A 22 15.532 -15.357 3.472 1.00 31.52 H new ATOM 0 HA ARG A 22 16.277 -12.861 2.284 1.00 24.25 H new ATOM 0 HB2 ARG A 22 17.777 -14.827 2.405 1.00 2.32 H new ATOM 0 HB3 ARG A 22 16.652 -15.785 1.463 1.00 2.32 H new ATOM 0 HG2 ARG A 22 17.609 -13.280 0.156 1.00 13.52 H new ATOM 0 HG3 ARG A 22 18.831 -14.506 0.426 1.00 13.52 H new ATOM 0 HD2 ARG A 22 16.188 -15.253 -0.849 1.00 23.42 H new ATOM 0 HD3 ARG A 22 17.449 -14.511 -1.813 1.00 23.42 H new ATOM 0 HE ARG A 22 17.711 -17.136 -0.383 1.00 10.34 H new ATOM 0 HH11 ARG A 22 18.661 -14.898 -2.982 1.00 23.24 H new ATOM 0 HH12 ARG A 22 19.720 -16.081 -3.758 1.00 23.24 H new ATOM 0 HH21 ARG A 22 19.084 -18.623 -1.390 1.00 14.53 H new ATOM 0 HH22 ARG A 22 19.957 -18.178 -2.860 1.00 14.53 H new ATOM 393 N ASP A 23 14.097 -14.764 0.712 1.00 20.23 N ATOM 394 CA ASP A 23 13.073 -14.864 -0.330 1.00 32.33 C ATOM 395 C ASP A 23 11.937 -13.892 -0.053 1.00 74.22 C ATOM 396 O ASP A 23 11.448 -13.225 -0.967 1.00 5.11 O ATOM 397 CB ASP A 23 12.544 -16.305 -0.414 1.00 33.10 C ATOM 398 CG ASP A 23 13.657 -17.291 -0.700 1.00 35.32 C ATOM 399 OD1 ASP A 23 14.302 -17.761 0.271 1.00 51.12 O ATOM 400 OD2 ASP A 23 13.911 -17.574 -1.881 1.00 30.22 O ATOM 0 H ASP A 23 14.173 -15.604 1.286 1.00 20.23 H new ATOM 0 HA ASP A 23 13.521 -14.601 -1.289 1.00 32.33 H new ATOM 0 HB2 ASP A 23 12.055 -16.569 0.524 1.00 33.10 H new ATOM 0 HB3 ASP A 23 11.788 -16.371 -1.197 1.00 33.10 H new ATOM 405 N VAL A 24 11.567 -13.784 1.235 1.00 42.01 N ATOM 406 CA VAL A 24 10.633 -12.764 1.699 1.00 22.40 C ATOM 407 C VAL A 24 11.194 -11.382 1.399 1.00 21.43 C ATOM 408 O VAL A 24 10.498 -10.565 0.822 1.00 4.33 O ATOM 409 CB VAL A 24 10.308 -12.860 3.222 1.00 42.13 C ATOM 410 CG1 VAL A 24 9.296 -11.801 3.634 1.00 72.11 C ATOM 411 CG2 VAL A 24 9.764 -14.219 3.605 1.00 61.01 C ATOM 0 H VAL A 24 11.909 -14.400 1.973 1.00 42.01 H new ATOM 0 HA VAL A 24 9.700 -12.936 1.162 1.00 22.40 H new ATOM 0 HB VAL A 24 11.251 -12.698 3.744 1.00 42.13 H new ATOM 0 HG11 VAL A 24 9.088 -11.892 4.700 1.00 72.11 H new ATOM 0 HG12 VAL A 24 9.701 -10.811 3.426 1.00 72.11 H new ATOM 0 HG13 VAL A 24 8.373 -11.941 3.071 1.00 72.11 H new ATOM 0 HG21 VAL A 24 9.553 -14.238 4.674 1.00 61.01 H new ATOM 0 HG22 VAL A 24 8.846 -14.413 3.050 1.00 61.01 H new ATOM 0 HG23 VAL A 24 10.501 -14.986 3.367 1.00 61.01 H new ATOM 421 N GLU A 25 12.478 -11.165 1.721 1.00 72.35 N ATOM 422 CA GLU A 25 13.088 -9.858 1.562 1.00 72.10 C ATOM 423 C GLU A 25 13.020 -9.384 0.104 1.00 42.31 C ATOM 424 O GLU A 25 12.436 -8.361 -0.144 1.00 5.32 O ATOM 425 CB GLU A 25 14.538 -9.862 2.061 1.00 62.13 C ATOM 426 CG GLU A 25 15.071 -8.477 2.402 1.00 34.44 C ATOM 427 CD GLU A 25 16.252 -8.064 1.545 1.00 52.24 C ATOM 428 OE1 GLU A 25 16.030 -7.591 0.414 1.00 23.14 O ATOM 429 OE2 GLU A 25 17.400 -8.209 2.010 1.00 12.35 O ATOM 0 H GLU A 25 13.103 -11.881 2.091 1.00 72.35 H new ATOM 0 HA GLU A 25 12.519 -9.155 2.171 1.00 72.10 H new ATOM 0 HB2 GLU A 25 14.607 -10.496 2.945 1.00 62.13 H new ATOM 0 HB3 GLU A 25 15.175 -10.309 1.297 1.00 62.13 H new ATOM 0 HG2 GLU A 25 14.270 -7.747 2.282 1.00 34.44 H new ATOM 0 HG3 GLU A 25 15.367 -8.457 3.451 1.00 34.44 H new ATOM 436 N ASN A 26 13.507 -10.162 -0.865 1.00 62.44 N ATOM 437 CA ASN A 26 13.488 -9.677 -2.264 1.00 14.24 C ATOM 438 C ASN A 26 12.127 -9.820 -2.972 1.00 21.11 C ATOM 439 O ASN A 26 11.574 -8.826 -3.554 1.00 74.11 O ATOM 440 CB ASN A 26 14.601 -10.329 -3.079 1.00 50.22 C ATOM 441 CG ASN A 26 15.842 -9.455 -3.112 1.00 74.44 C ATOM 442 OD1 ASN A 26 16.010 -8.644 -4.022 1.00 60.13 O ATOM 443 ND2 ASN A 26 16.695 -9.578 -2.104 1.00 33.04 N ATOM 0 H ASN A 26 13.905 -11.091 -0.728 1.00 62.44 H new ATOM 0 HA ASN A 26 13.667 -8.604 -2.202 1.00 14.24 H new ATOM 0 HB2 ASN A 26 14.848 -11.300 -2.650 1.00 50.22 H new ATOM 0 HB3 ASN A 26 14.253 -10.509 -4.096 1.00 50.22 H new ATOM 0 HD21 ASN A 26 17.526 -8.988 -2.064 1.00 33.04 H new ATOM 0 HD22 ASN A 26 16.520 -10.263 -1.368 1.00 33.04 H new ATOM 450 N GLU A 27 11.546 -11.023 -2.892 1.00 52.11 N ATOM 451 CA GLU A 27 10.326 -11.304 -3.638 1.00 33.31 C ATOM 452 C GLU A 27 9.165 -10.498 -3.061 1.00 1.11 C ATOM 453 O GLU A 27 8.325 -10.022 -3.808 1.00 33.31 O ATOM 454 CB GLU A 27 9.996 -12.803 -3.650 1.00 31.11 C ATOM 455 CG GLU A 27 8.917 -13.204 -4.655 1.00 54.42 C ATOM 456 CD GLU A 27 9.310 -12.925 -6.101 1.00 15.12 C ATOM 457 OE1 GLU A 27 10.037 -13.753 -6.692 1.00 25.23 O ATOM 458 OE2 GLU A 27 8.888 -11.883 -6.650 1.00 4.45 O ATOM 0 H GLU A 27 11.896 -11.799 -2.330 1.00 52.11 H new ATOM 0 HA GLU A 27 10.488 -11.004 -4.673 1.00 33.31 H new ATOM 0 HB2 GLU A 27 10.906 -13.361 -3.870 1.00 31.11 H new ATOM 0 HB3 GLU A 27 9.674 -13.100 -2.652 1.00 31.11 H new ATOM 0 HG2 GLU A 27 8.702 -14.267 -4.542 1.00 54.42 H new ATOM 0 HG3 GLU A 27 7.997 -12.666 -4.425 1.00 54.42 H new ATOM 465 N PHE A 28 9.146 -10.308 -1.737 1.00 73.41 N ATOM 466 CA PHE A 28 8.161 -9.422 -1.127 1.00 62.34 C ATOM 467 C PHE A 28 8.589 -7.926 -1.115 1.00 4.45 C ATOM 468 O PHE A 28 7.732 -7.077 -0.908 1.00 30.11 O ATOM 469 CB PHE A 28 7.683 -9.917 0.246 1.00 32.34 C ATOM 470 CG PHE A 28 6.740 -11.089 0.184 1.00 40.14 C ATOM 471 CD1 PHE A 28 7.212 -12.380 0.015 1.00 53.31 C ATOM 472 CD2 PHE A 28 5.375 -10.900 0.315 1.00 32.33 C ATOM 473 CE1 PHE A 28 6.346 -13.454 -0.014 1.00 70.21 C ATOM 474 CE2 PHE A 28 4.503 -11.965 0.294 1.00 23.43 C ATOM 475 CZ PHE A 28 4.989 -13.245 0.126 1.00 2.43 C ATOM 0 H PHE A 28 9.791 -10.749 -1.081 1.00 73.41 H new ATOM 0 HA PHE A 28 7.292 -9.465 -1.784 1.00 62.34 H new ATOM 0 HB2 PHE A 28 8.552 -10.195 0.842 1.00 32.34 H new ATOM 0 HB3 PHE A 28 7.190 -9.095 0.765 1.00 32.34 H new ATOM 0 HD1 PHE A 28 8.273 -12.549 -0.096 1.00 53.31 H new ATOM 0 HD2 PHE A 28 4.987 -9.899 0.436 1.00 32.33 H new ATOM 0 HE1 PHE A 28 6.729 -14.455 -0.146 1.00 70.21 H new ATOM 0 HE2 PHE A 28 3.442 -11.799 0.409 1.00 23.43 H new ATOM 0 HZ PHE A 28 4.308 -14.083 0.104 1.00 2.43 H new ATOM 485 N ARG A 29 9.902 -7.580 -1.289 1.00 25.22 N ATOM 486 CA ARG A 29 10.271 -6.149 -1.562 1.00 22.03 C ATOM 487 C ARG A 29 9.705 -5.690 -2.907 1.00 32.24 C ATOM 488 O ARG A 29 9.515 -4.485 -3.101 1.00 33.30 O ATOM 489 CB ARG A 29 11.805 -5.815 -1.493 1.00 43.34 C ATOM 490 CG ARG A 29 12.646 -6.071 -2.757 1.00 33.30 C ATOM 491 CD ARG A 29 12.825 -4.816 -3.600 1.00 50.31 C ATOM 492 NE ARG A 29 13.411 -5.122 -4.896 1.00 65.43 N ATOM 493 CZ ARG A 29 13.654 -4.220 -5.850 1.00 72.01 C ATOM 494 NH1 ARG A 29 13.353 -2.931 -5.670 1.00 3.33 N ATOM 495 NH2 ARG A 29 14.197 -4.619 -6.995 1.00 31.30 N ATOM 0 H ARG A 29 10.686 -8.231 -1.249 1.00 25.22 H new ATOM 0 HA ARG A 29 9.817 -5.596 -0.740 1.00 22.03 H new ATOM 0 HB2 ARG A 29 11.908 -4.763 -1.228 1.00 43.34 H new ATOM 0 HB3 ARG A 29 12.239 -6.394 -0.677 1.00 43.34 H new ATOM 0 HG2 ARG A 29 13.625 -6.453 -2.467 1.00 33.30 H new ATOM 0 HG3 ARG A 29 12.167 -6.844 -3.358 1.00 33.30 H new ATOM 0 HD2 ARG A 29 11.859 -4.331 -3.742 1.00 50.31 H new ATOM 0 HD3 ARG A 29 13.462 -4.108 -3.070 1.00 50.31 H new ATOM 0 HE ARG A 29 13.653 -6.094 -5.089 1.00 65.43 H new ATOM 0 HH11 ARG A 29 12.931 -2.623 -4.794 1.00 3.33 H new ATOM 0 HH12 ARG A 29 13.545 -2.254 -6.409 1.00 3.33 H new ATOM 0 HH21 ARG A 29 14.423 -5.604 -7.137 1.00 31.30 H new ATOM 0 HH22 ARG A 29 14.388 -3.941 -7.732 1.00 31.30 H new ATOM 509 N LYS A 30 9.468 -6.644 -3.841 1.00 40.41 N ATOM 510 CA LYS A 30 8.690 -6.330 -5.071 1.00 60.40 C ATOM 511 C LYS A 30 7.292 -5.713 -4.735 1.00 12.21 C ATOM 512 O LYS A 30 6.812 -4.853 -5.474 1.00 0.45 O ATOM 513 CB LYS A 30 8.591 -7.606 -5.977 1.00 44.53 C ATOM 514 CG LYS A 30 7.184 -8.088 -6.414 1.00 43.10 C ATOM 515 CD LYS A 30 6.595 -7.273 -7.564 1.00 62.33 C ATOM 516 CE LYS A 30 5.154 -7.657 -7.839 1.00 21.12 C ATOM 517 NZ LYS A 30 4.996 -8.340 -9.143 1.00 64.25 N ATOM 0 H LYS A 30 9.792 -7.609 -3.774 1.00 40.41 H new ATOM 0 HA LYS A 30 9.219 -5.562 -5.635 1.00 60.40 H new ATOM 0 HB2 LYS A 30 9.174 -7.420 -6.879 1.00 44.53 H new ATOM 0 HB3 LYS A 30 9.075 -8.428 -5.449 1.00 44.53 H new ATOM 0 HG2 LYS A 30 7.243 -9.135 -6.713 1.00 43.10 H new ATOM 0 HG3 LYS A 30 6.509 -8.038 -5.560 1.00 43.10 H new ATOM 0 HD2 LYS A 30 6.650 -6.211 -7.324 1.00 62.33 H new ATOM 0 HD3 LYS A 30 7.191 -7.428 -8.463 1.00 62.33 H new ATOM 0 HE2 LYS A 30 4.796 -8.310 -7.043 1.00 21.12 H new ATOM 0 HE3 LYS A 30 4.532 -6.762 -7.822 1.00 21.12 H new ATOM 0 HZ1 LYS A 30 3.995 -8.584 -9.288 1.00 64.25 H new ATOM 0 HZ2 LYS A 30 5.313 -7.709 -9.906 1.00 64.25 H new ATOM 0 HZ3 LYS A 30 5.568 -9.208 -9.152 1.00 64.25 H new ATOM 531 N TYR A 31 6.710 -6.103 -3.596 1.00 24.34 N ATOM 532 CA TYR A 31 5.353 -5.686 -3.190 1.00 2.31 C ATOM 533 C TYR A 31 5.330 -4.230 -2.700 1.00 44.21 C ATOM 534 O TYR A 31 4.275 -3.614 -2.622 1.00 13.12 O ATOM 535 CB TYR A 31 4.797 -6.607 -2.075 1.00 62.00 C ATOM 536 CG TYR A 31 4.543 -8.073 -2.443 1.00 2.30 C ATOM 537 CD1 TYR A 31 5.450 -8.806 -3.192 1.00 24.44 C ATOM 538 CD2 TYR A 31 3.397 -8.732 -1.998 1.00 31.32 C ATOM 539 CE1 TYR A 31 5.249 -10.128 -3.490 1.00 63.00 C ATOM 540 CE2 TYR A 31 3.184 -10.070 -2.304 1.00 22.13 C ATOM 541 CZ TYR A 31 4.125 -10.756 -3.057 1.00 50.11 C ATOM 542 OH TYR A 31 3.963 -12.082 -3.351 1.00 12.15 O ATOM 0 H TYR A 31 7.165 -6.720 -2.923 1.00 24.34 H new ATOM 0 HA TYR A 31 4.721 -5.768 -4.075 1.00 2.31 H new ATOM 0 HB2 TYR A 31 5.495 -6.584 -1.238 1.00 62.00 H new ATOM 0 HB3 TYR A 31 3.859 -6.180 -1.720 1.00 62.00 H new ATOM 0 HD1 TYR A 31 6.344 -8.319 -3.552 1.00 24.44 H new ATOM 0 HD2 TYR A 31 2.667 -8.196 -1.409 1.00 31.32 H new ATOM 0 HE1 TYR A 31 5.983 -10.670 -4.068 1.00 63.00 H new ATOM 0 HE2 TYR A 31 2.293 -10.572 -1.958 1.00 22.13 H new ATOM 0 HH TYR A 31 3.733 -12.572 -2.534 1.00 12.15 H new ATOM 552 N GLY A 32 6.488 -3.675 -2.362 1.00 53.41 N ATOM 553 CA GLY A 32 6.527 -2.271 -2.014 1.00 64.14 C ATOM 554 C GLY A 32 7.455 -1.964 -0.863 1.00 64.21 C ATOM 555 O GLY A 32 7.011 -1.409 0.133 1.00 72.01 O ATOM 0 H GLY A 32 7.383 -4.162 -2.323 1.00 53.41 H new ATOM 0 HA2 GLY A 32 6.840 -1.697 -2.886 1.00 64.14 H new ATOM 0 HA3 GLY A 32 5.521 -1.940 -1.758 1.00 64.14 H new ATOM 559 N ASN A 33 8.739 -2.333 -1.039 1.00 22.23 N ATOM 560 CA ASN A 33 9.864 -2.018 -0.118 1.00 24.24 C ATOM 561 C ASN A 33 9.614 -2.480 1.329 1.00 32.01 C ATOM 562 O ASN A 33 8.968 -1.798 2.141 1.00 24.24 O ATOM 563 CB ASN A 33 10.224 -0.524 -0.143 1.00 44.23 C ATOM 564 CG ASN A 33 11.676 -0.261 0.208 1.00 53.02 C ATOM 565 OD1 ASN A 33 12.042 -0.133 1.379 1.00 4.41 O ATOM 566 ND2 ASN A 33 12.514 -0.161 -0.811 1.00 30.32 N ATOM 0 H ASN A 33 9.038 -2.876 -1.849 1.00 22.23 H new ATOM 0 HA ASN A 33 10.713 -2.589 -0.496 1.00 24.24 H new ATOM 0 HB2 ASN A 33 10.017 -0.122 -1.135 1.00 44.23 H new ATOM 0 HB3 ASN A 33 9.583 0.011 0.558 1.00 44.23 H new ATOM 0 HD21 ASN A 33 13.502 0.028 -0.642 1.00 30.32 H new ATOM 0 HD22 ASN A 33 12.172 -0.273 -1.765 1.00 30.32 H new ATOM 573 N ILE A 34 10.175 -3.636 1.635 1.00 50.40 N ATOM 574 CA ILE A 34 10.007 -4.276 2.937 1.00 61.02 C ATOM 575 C ILE A 34 10.902 -3.613 3.996 1.00 21.50 C ATOM 576 O ILE A 34 12.114 -3.457 3.815 1.00 52.40 O ATOM 577 CB ILE A 34 10.243 -5.830 2.802 1.00 10.32 C ATOM 578 CG1 ILE A 34 10.170 -6.586 4.162 1.00 52.45 C ATOM 579 CG2 ILE A 34 11.549 -6.125 2.065 1.00 70.43 C ATOM 580 CD1 ILE A 34 11.515 -6.862 4.839 1.00 34.04 C ATOM 0 H ILE A 34 10.763 -4.163 0.989 1.00 50.40 H new ATOM 0 HA ILE A 34 8.984 -4.136 3.285 1.00 61.02 H new ATOM 0 HB ILE A 34 9.417 -6.215 2.204 1.00 10.32 H new ATOM 0 HG12 ILE A 34 9.551 -6.006 4.847 1.00 52.45 H new ATOM 0 HG13 ILE A 34 9.662 -7.537 4.002 1.00 52.45 H new ATOM 0 HG21 ILE A 34 11.687 -7.203 1.986 1.00 70.43 H new ATOM 0 HG22 ILE A 34 11.509 -5.690 1.066 1.00 70.43 H new ATOM 0 HG23 ILE A 34 12.384 -5.692 2.616 1.00 70.43 H new ATOM 0 HD11 ILE A 34 11.348 -7.392 5.777 1.00 34.04 H new ATOM 0 HD12 ILE A 34 12.134 -7.473 4.182 1.00 34.04 H new ATOM 0 HD13 ILE A 34 12.021 -5.918 5.041 1.00 34.04 H new ATOM 592 N LEU A 35 10.259 -3.168 5.075 1.00 65.33 N ATOM 593 CA LEU A 35 10.971 -2.595 6.211 1.00 1.25 C ATOM 594 C LEU A 35 11.321 -3.697 7.210 1.00 54.43 C ATOM 595 O LEU A 35 12.435 -3.740 7.740 1.00 14.15 O ATOM 596 CB LEU A 35 10.145 -1.501 6.942 1.00 72.15 C ATOM 597 CG LEU A 35 9.648 -0.268 6.138 1.00 64.40 C ATOM 598 CD1 LEU A 35 10.651 0.196 5.090 1.00 35.11 C ATOM 599 CD2 LEU A 35 8.291 -0.533 5.513 1.00 33.14 C ATOM 0 H LEU A 35 9.245 -3.194 5.184 1.00 65.33 H new ATOM 0 HA LEU A 35 11.873 -2.127 5.817 1.00 1.25 H new ATOM 0 HB2 LEU A 35 9.270 -1.985 7.376 1.00 72.15 H new ATOM 0 HB3 LEU A 35 10.749 -1.132 7.771 1.00 72.15 H new ATOM 0 HG LEU A 35 9.545 0.547 6.854 1.00 64.40 H new ATOM 0 HD11 LEU A 35 10.250 1.060 4.560 1.00 35.11 H new ATOM 0 HD12 LEU A 35 11.586 0.472 5.578 1.00 35.11 H new ATOM 0 HD13 LEU A 35 10.836 -0.611 4.381 1.00 35.11 H new ATOM 0 HD21 LEU A 35 7.969 0.347 4.957 1.00 33.14 H new ATOM 0 HD22 LEU A 35 8.362 -1.384 4.836 1.00 33.14 H new ATOM 0 HD23 LEU A 35 7.566 -0.753 6.297 1.00 33.14 H new ATOM 611 N LYS A 36 10.357 -4.595 7.450 1.00 50.02 N ATOM 612 CA LYS A 36 10.521 -5.679 8.417 1.00 41.12 C ATOM 613 C LYS A 36 9.811 -6.954 7.930 1.00 30.35 C ATOM 614 O LYS A 36 8.734 -6.883 7.345 1.00 51.24 O ATOM 615 CB LYS A 36 9.966 -5.247 9.785 1.00 11.30 C ATOM 616 CG LYS A 36 10.064 -6.322 10.854 1.00 51.11 C ATOM 617 CD LYS A 36 9.345 -5.913 12.123 1.00 2.11 C ATOM 618 CE LYS A 36 8.956 -7.125 12.950 1.00 64.22 C ATOM 619 NZ LYS A 36 10.136 -7.896 13.425 1.00 41.42 N ATOM 0 H LYS A 36 9.451 -4.588 6.982 1.00 50.02 H new ATOM 0 HA LYS A 36 11.584 -5.899 8.518 1.00 41.12 H new ATOM 0 HB2 LYS A 36 10.506 -4.362 10.122 1.00 11.30 H new ATOM 0 HB3 LYS A 36 8.921 -4.958 9.668 1.00 11.30 H new ATOM 0 HG2 LYS A 36 9.637 -7.251 10.477 1.00 51.11 H new ATOM 0 HG3 LYS A 36 11.112 -6.520 11.077 1.00 51.11 H new ATOM 0 HD2 LYS A 36 9.987 -5.258 12.713 1.00 2.11 H new ATOM 0 HD3 LYS A 36 8.452 -5.341 11.870 1.00 2.11 H new ATOM 0 HE2 LYS A 36 8.369 -6.801 13.809 1.00 64.22 H new ATOM 0 HE3 LYS A 36 8.317 -7.777 12.354 1.00 64.22 H new ATOM 0 HZ1 LYS A 36 9.835 -8.850 13.711 1.00 41.42 H new ATOM 0 HZ2 LYS A 36 10.835 -7.968 12.658 1.00 41.42 H new ATOM 0 HZ3 LYS A 36 10.564 -7.410 14.239 1.00 41.42 H new ATOM 633 N CYS A 37 10.460 -8.103 8.134 1.00 10.14 N ATOM 634 CA CYS A 37 9.846 -9.406 7.878 1.00 63.23 C ATOM 635 C CYS A 37 10.021 -10.315 9.095 1.00 2.23 C ATOM 636 O CYS A 37 11.140 -10.522 9.576 1.00 41.12 O ATOM 637 CB CYS A 37 10.454 -10.048 6.621 1.00 52.42 C ATOM 638 SG CYS A 37 12.266 -10.104 6.588 1.00 71.14 S ATOM 0 H CYS A 37 11.419 -8.156 8.479 1.00 10.14 H new ATOM 0 HA CYS A 37 8.779 -9.267 7.702 1.00 63.23 H new ATOM 0 HB2 CYS A 37 10.073 -11.065 6.530 1.00 52.42 H new ATOM 0 HB3 CYS A 37 10.107 -9.498 5.746 1.00 52.42 H new ATOM 0 HG CYS A 37 12.717 -10.258 7.797 1.00 71.14 H new ATOM 644 N ASP A 38 8.905 -10.814 9.631 1.00 53.05 N ATOM 645 CA ASP A 38 8.962 -11.729 10.769 1.00 55.33 C ATOM 646 C ASP A 38 8.105 -12.968 10.495 1.00 44.55 C ATOM 647 O ASP A 38 6.942 -12.851 10.138 1.00 34.12 O ATOM 648 CB ASP A 38 8.499 -11.023 12.047 1.00 64.51 C ATOM 649 CG ASP A 38 9.168 -11.573 13.296 1.00 73.33 C ATOM 650 OD1 ASP A 38 9.121 -12.798 13.529 1.00 64.32 O ATOM 651 OD2 ASP A 38 9.770 -10.771 14.047 1.00 55.00 O ATOM 0 H ASP A 38 7.964 -10.603 9.300 1.00 53.05 H new ATOM 0 HA ASP A 38 9.995 -12.048 10.910 1.00 55.33 H new ATOM 0 HB2 ASP A 38 8.711 -9.957 11.966 1.00 64.51 H new ATOM 0 HB3 ASP A 38 7.418 -11.126 12.143 1.00 64.51 H new ATOM 656 N VAL A 39 8.682 -14.153 10.662 1.00 43.02 N ATOM 657 CA VAL A 39 7.958 -15.406 10.420 1.00 74.52 C ATOM 658 C VAL A 39 7.692 -16.125 11.756 1.00 63.42 C ATOM 659 O VAL A 39 8.624 -16.518 12.461 1.00 3.30 O ATOM 660 CB VAL A 39 8.732 -16.340 9.429 1.00 73.40 C ATOM 661 CG1 VAL A 39 7.948 -17.616 9.118 1.00 42.12 C ATOM 662 CG2 VAL A 39 9.058 -15.606 8.130 1.00 2.31 C ATOM 0 H VAL A 39 9.648 -14.277 10.964 1.00 43.02 H new ATOM 0 HA VAL A 39 7.004 -15.161 9.952 1.00 74.52 H new ATOM 0 HB VAL A 39 9.661 -16.624 9.922 1.00 73.40 H new ATOM 0 HG11 VAL A 39 8.520 -18.235 8.427 1.00 42.12 H new ATOM 0 HG12 VAL A 39 7.772 -18.169 10.041 1.00 42.12 H new ATOM 0 HG13 VAL A 39 6.992 -17.354 8.664 1.00 42.12 H new ATOM 0 HG21 VAL A 39 9.595 -16.276 7.459 1.00 2.31 H new ATOM 0 HG22 VAL A 39 8.133 -15.280 7.654 1.00 2.31 H new ATOM 0 HG23 VAL A 39 9.679 -14.737 8.349 1.00 2.31 H new ATOM 672 N LYS A 40 6.406 -16.283 12.094 1.00 33.32 N ATOM 673 CA LYS A 40 5.989 -16.904 13.359 1.00 54.23 C ATOM 674 C LYS A 40 5.396 -18.296 13.111 1.00 64.12 C ATOM 675 O LYS A 40 4.960 -18.603 12.011 1.00 54.01 O ATOM 676 CB LYS A 40 4.924 -16.048 14.071 1.00 11.00 C ATOM 677 CG LYS A 40 5.340 -14.619 14.417 1.00 45.43 C ATOM 678 CD LYS A 40 6.579 -14.570 15.302 1.00 45.01 C ATOM 679 CE LYS A 40 6.807 -13.170 15.852 1.00 4.43 C ATOM 680 NZ LYS A 40 8.185 -13.005 16.382 1.00 54.32 N ATOM 0 H LYS A 40 5.629 -15.986 11.503 1.00 33.32 H new ATOM 0 HA LYS A 40 6.877 -16.983 13.986 1.00 54.23 H new ATOM 0 HB2 LYS A 40 4.038 -16.005 13.438 1.00 11.00 H new ATOM 0 HB3 LYS A 40 4.634 -16.555 14.992 1.00 11.00 H new ATOM 0 HG2 LYS A 40 5.533 -14.067 13.497 1.00 45.43 H new ATOM 0 HG3 LYS A 40 4.516 -14.117 14.923 1.00 45.43 H new ATOM 0 HD2 LYS A 40 6.468 -15.274 16.127 1.00 45.01 H new ATOM 0 HD3 LYS A 40 7.451 -14.885 14.729 1.00 45.01 H new ATOM 0 HE2 LYS A 40 6.630 -12.437 15.065 1.00 4.43 H new ATOM 0 HE3 LYS A 40 6.086 -12.968 16.644 1.00 4.43 H new ATOM 0 HZ1 LYS A 40 8.227 -12.157 16.982 1.00 54.32 H new ATOM 0 HZ2 LYS A 40 8.443 -13.841 16.945 1.00 54.32 H new ATOM 0 HZ3 LYS A 40 8.851 -12.902 15.590 1.00 54.32 H new ATOM 694 N LYS A 41 5.402 -19.146 14.135 1.00 63.15 N ATOM 695 CA LYS A 41 4.735 -20.445 14.049 1.00 0.32 C ATOM 696 C LYS A 41 3.841 -20.670 15.277 1.00 64.10 C ATOM 697 O LYS A 41 4.127 -20.157 16.361 1.00 53.31 O ATOM 698 CB LYS A 41 5.756 -21.605 13.856 1.00 41.32 C ATOM 699 CG LYS A 41 6.443 -22.166 15.127 1.00 42.53 C ATOM 700 CD LYS A 41 7.398 -21.190 15.828 1.00 0.02 C ATOM 701 CE LYS A 41 8.625 -20.876 14.989 1.00 11.04 C ATOM 702 NZ LYS A 41 9.618 -20.052 15.730 1.00 62.31 N ATOM 0 H LYS A 41 5.858 -18.962 15.029 1.00 63.15 H new ATOM 0 HA LYS A 41 4.098 -20.441 13.165 1.00 0.32 H new ATOM 0 HB2 LYS A 41 5.242 -22.428 13.359 1.00 41.32 H new ATOM 0 HB3 LYS A 41 6.535 -21.259 13.176 1.00 41.32 H new ATOM 0 HG2 LYS A 41 5.672 -22.469 15.835 1.00 42.53 H new ATOM 0 HG3 LYS A 41 6.998 -23.064 14.856 1.00 42.53 H new ATOM 0 HD2 LYS A 41 6.867 -20.264 16.051 1.00 0.02 H new ATOM 0 HD3 LYS A 41 7.712 -21.615 16.781 1.00 0.02 H new ATOM 0 HE2 LYS A 41 9.094 -21.807 14.671 1.00 11.04 H new ATOM 0 HE3 LYS A 41 8.320 -20.348 14.085 1.00 11.04 H new ATOM 0 HZ1 LYS A 41 10.438 -19.863 15.118 1.00 62.31 H new ATOM 0 HZ2 LYS A 41 9.181 -19.151 16.011 1.00 62.31 H new ATOM 0 HZ3 LYS A 41 9.931 -20.565 16.579 1.00 62.31 H new ATOM 716 N THR A 42 2.738 -21.388 15.093 1.00 71.22 N ATOM 717 CA THR A 42 1.916 -21.813 16.219 1.00 42.10 C ATOM 718 C THR A 42 2.206 -23.286 16.549 1.00 62.23 C ATOM 719 O THR A 42 2.813 -24.006 15.745 1.00 4.42 O ATOM 720 CB THR A 42 0.389 -21.565 15.961 1.00 64.13 C ATOM 721 OG1 THR A 42 -0.392 -21.840 17.130 1.00 45.24 O ATOM 722 CG2 THR A 42 -0.137 -22.405 14.810 1.00 22.33 C ATOM 0 H THR A 42 2.394 -21.686 14.180 1.00 71.22 H new ATOM 0 HA THR A 42 2.180 -21.204 17.084 1.00 42.10 H new ATOM 0 HB THR A 42 0.293 -20.511 15.701 1.00 64.13 H new ATOM 0 HG1 THR A 42 -1.339 -21.674 16.937 1.00 45.24 H new ATOM 0 HG21 THR A 42 -1.198 -22.202 14.666 1.00 22.33 H new ATOM 0 HG22 THR A 42 0.407 -22.155 13.899 1.00 22.33 H new ATOM 0 HG23 THR A 42 0.002 -23.462 15.037 1.00 22.33 H new ATOM 730 N VAL A 43 1.761 -23.721 17.733 1.00 41.20 N ATOM 731 CA VAL A 43 1.926 -25.103 18.212 1.00 14.51 C ATOM 732 C VAL A 43 0.954 -26.059 17.478 1.00 64.04 C ATOM 733 O VAL A 43 1.140 -27.279 17.463 1.00 50.13 O ATOM 734 CB VAL A 43 1.708 -25.172 19.764 1.00 63.13 C ATOM 735 CG1 VAL A 43 2.096 -26.531 20.341 1.00 53.10 C ATOM 736 CG2 VAL A 43 2.492 -24.072 20.476 1.00 32.45 C ATOM 0 H VAL A 43 1.271 -23.119 18.395 1.00 41.20 H new ATOM 0 HA VAL A 43 2.944 -25.424 17.992 1.00 14.51 H new ATOM 0 HB VAL A 43 0.642 -25.024 19.935 1.00 63.13 H new ATOM 0 HG11 VAL A 43 1.928 -26.530 21.418 1.00 53.10 H new ATOM 0 HG12 VAL A 43 1.488 -27.309 19.879 1.00 53.10 H new ATOM 0 HG13 VAL A 43 3.149 -26.725 20.138 1.00 53.10 H new ATOM 0 HG21 VAL A 43 2.323 -24.142 21.551 1.00 32.45 H new ATOM 0 HG22 VAL A 43 3.555 -24.190 20.267 1.00 32.45 H new ATOM 0 HG23 VAL A 43 2.158 -23.098 20.119 1.00 32.45 H new ATOM 746 N SER A 44 -0.051 -25.474 16.808 1.00 53.03 N ATOM 747 CA SER A 44 -1.056 -26.230 16.053 1.00 74.03 C ATOM 748 C SER A 44 -0.494 -26.761 14.716 1.00 44.45 C ATOM 749 O SER A 44 -1.143 -27.562 14.041 1.00 62.13 O ATOM 750 CB SER A 44 -2.264 -25.331 15.769 1.00 70.23 C ATOM 751 OG SER A 44 -2.602 -24.548 16.905 1.00 12.44 O ATOM 0 H SER A 44 -0.188 -24.464 16.776 1.00 53.03 H new ATOM 0 HA SER A 44 -1.351 -27.087 16.659 1.00 74.03 H new ATOM 0 HB2 SER A 44 -2.043 -24.676 14.926 1.00 70.23 H new ATOM 0 HB3 SER A 44 -3.117 -25.945 15.481 1.00 70.23 H new ATOM 0 HG SER A 44 -3.375 -23.983 16.695 1.00 12.44 H new ATOM 757 N GLY A 45 0.712 -26.306 14.341 1.00 61.34 N ATOM 758 CA GLY A 45 1.376 -26.806 13.149 1.00 44.22 C ATOM 759 C GLY A 45 1.311 -25.852 11.968 1.00 14.15 C ATOM 760 O GLY A 45 1.892 -26.125 10.918 1.00 44.20 O ATOM 0 H GLY A 45 1.237 -25.595 14.850 1.00 61.34 H new ATOM 0 HA2 GLY A 45 2.421 -27.009 13.384 1.00 44.22 H new ATOM 0 HA3 GLY A 45 0.924 -27.756 12.863 1.00 44.22 H new ATOM 764 N ALA A 46 0.594 -24.743 12.138 1.00 20.24 N ATOM 765 CA ALA A 46 0.470 -23.734 11.087 1.00 21.43 C ATOM 766 C ALA A 46 1.578 -22.692 11.184 1.00 14.41 C ATOM 767 O ALA A 46 1.986 -22.297 12.277 1.00 50.31 O ATOM 768 CB ALA A 46 -0.904 -23.069 11.135 1.00 61.33 C ATOM 0 H ALA A 46 0.089 -24.520 12.996 1.00 20.24 H new ATOM 0 HA ALA A 46 0.574 -24.240 10.127 1.00 21.43 H new ATOM 0 HB1 ALA A 46 -0.974 -22.322 10.345 1.00 61.33 H new ATOM 0 HB2 ALA A 46 -1.678 -23.823 10.992 1.00 61.33 H new ATOM 0 HB3 ALA A 46 -1.041 -22.587 12.103 1.00 61.33 H new ATOM 774 N ALA A 47 2.069 -22.270 10.030 1.00 44.14 N ATOM 775 CA ALA A 47 3.077 -21.230 9.946 1.00 61.41 C ATOM 776 C ALA A 47 2.451 -19.936 9.445 1.00 52.34 C ATOM 777 O ALA A 47 1.473 -19.969 8.704 1.00 33.13 O ATOM 778 CB ALA A 47 4.218 -21.666 9.038 1.00 14.52 C ATOM 0 H ALA A 47 1.778 -22.640 9.125 1.00 44.14 H new ATOM 0 HA ALA A 47 3.486 -21.054 10.941 1.00 61.41 H new ATOM 0 HB1 ALA A 47 4.965 -20.874 8.986 1.00 14.52 H new ATOM 0 HB2 ALA A 47 4.676 -22.571 9.438 1.00 14.52 H new ATOM 0 HB3 ALA A 47 3.832 -21.866 8.039 1.00 14.52 H new ATOM 784 N PHE A 48 3.000 -18.805 9.877 1.00 14.31 N ATOM 785 CA PHE A 48 2.514 -17.492 9.455 1.00 43.24 C ATOM 786 C PHE A 48 3.699 -16.597 9.141 1.00 61.41 C ATOM 787 O PHE A 48 4.773 -16.768 9.701 1.00 22.20 O ATOM 788 CB PHE A 48 1.687 -16.760 10.542 1.00 51.02 C ATOM 789 CG PHE A 48 0.845 -17.619 11.443 1.00 70.23 C ATOM 790 CD1 PHE A 48 -0.399 -18.077 11.040 1.00 13.20 C ATOM 791 CD2 PHE A 48 1.304 -17.952 12.703 1.00 0.45 C ATOM 792 CE1 PHE A 48 -1.166 -18.858 11.879 1.00 22.02 C ATOM 793 CE2 PHE A 48 0.546 -18.729 13.544 1.00 43.30 C ATOM 794 CZ PHE A 48 -0.692 -19.185 13.135 1.00 41.13 C ATOM 0 H PHE A 48 3.788 -18.770 10.524 1.00 14.31 H new ATOM 0 HA PHE A 48 1.875 -17.673 8.591 1.00 43.24 H new ATOM 0 HB2 PHE A 48 2.375 -16.187 11.164 1.00 51.02 H new ATOM 0 HB3 PHE A 48 1.032 -16.043 10.046 1.00 51.02 H new ATOM 0 HD1 PHE A 48 -0.772 -17.820 10.059 1.00 13.20 H new ATOM 0 HD2 PHE A 48 2.270 -17.597 13.030 1.00 0.45 H new ATOM 0 HE1 PHE A 48 -2.133 -19.213 11.555 1.00 22.02 H new ATOM 0 HE2 PHE A 48 0.918 -18.984 14.525 1.00 43.30 H new ATOM 0 HZ PHE A 48 -1.289 -19.796 13.796 1.00 41.13 H new ATOM 804 N ALA A 49 3.503 -15.654 8.238 1.00 51.23 N ATOM 805 CA ALA A 49 4.472 -14.604 8.025 1.00 11.42 C ATOM 806 C ALA A 49 3.783 -13.250 8.115 1.00 24.22 C ATOM 807 O ALA A 49 2.642 -13.072 7.643 1.00 14.35 O ATOM 808 CB ALA A 49 5.209 -14.772 6.701 1.00 12.40 C ATOM 0 H ALA A 49 2.678 -15.597 7.641 1.00 51.23 H new ATOM 0 HA ALA A 49 5.229 -14.666 8.807 1.00 11.42 H new ATOM 0 HB1 ALA A 49 5.928 -13.962 6.580 1.00 12.40 H new ATOM 0 HB2 ALA A 49 5.734 -15.727 6.695 1.00 12.40 H new ATOM 0 HB3 ALA A 49 4.492 -14.747 5.880 1.00 12.40 H new ATOM 814 N PHE A 50 4.488 -12.330 8.753 1.00 72.11 N ATOM 815 CA PHE A 50 4.021 -10.986 9.031 1.00 4.33 C ATOM 816 C PHE A 50 5.003 -10.031 8.355 1.00 54.53 C ATOM 817 O PHE A 50 6.197 -10.023 8.702 1.00 61.52 O ATOM 818 CB PHE A 50 4.046 -10.824 10.558 1.00 72.55 C ATOM 819 CG PHE A 50 3.060 -9.869 11.148 1.00 11.03 C ATOM 820 CD1 PHE A 50 1.710 -10.182 11.187 1.00 40.15 C ATOM 821 CD2 PHE A 50 3.489 -8.689 11.722 1.00 52.02 C ATOM 822 CE1 PHE A 50 0.809 -9.329 11.792 1.00 15.15 C ATOM 823 CE2 PHE A 50 2.593 -7.829 12.317 1.00 51.32 C ATOM 824 CZ PHE A 50 1.251 -8.150 12.354 1.00 12.21 C ATOM 0 H PHE A 50 5.430 -12.506 9.102 1.00 72.11 H new ATOM 0 HA PHE A 50 3.015 -10.785 8.662 1.00 4.33 H new ATOM 0 HB2 PHE A 50 3.881 -11.804 11.007 1.00 72.55 H new ATOM 0 HB3 PHE A 50 5.046 -10.504 10.850 1.00 72.55 H new ATOM 0 HD1 PHE A 50 1.360 -11.101 10.740 1.00 40.15 H new ATOM 0 HD2 PHE A 50 4.539 -8.438 11.704 1.00 52.02 H new ATOM 0 HE1 PHE A 50 -0.240 -9.585 11.825 1.00 15.15 H new ATOM 0 HE2 PHE A 50 2.940 -6.904 12.754 1.00 51.32 H new ATOM 0 HZ PHE A 50 0.548 -7.478 12.823 1.00 12.21 H new ATOM 834 N ILE A 51 4.533 -9.268 7.357 1.00 32.43 N ATOM 835 CA ILE A 51 5.492 -8.562 6.469 1.00 74.05 C ATOM 836 C ILE A 51 5.135 -7.089 6.218 1.00 52.51 C ATOM 837 O ILE A 51 4.193 -6.788 5.490 1.00 1.42 O ATOM 838 CB ILE A 51 5.654 -9.257 5.086 1.00 33.15 C ATOM 839 CG1 ILE A 51 5.276 -10.755 5.147 1.00 42.31 C ATOM 840 CG2 ILE A 51 7.099 -9.098 4.632 1.00 62.52 C ATOM 841 CD1 ILE A 51 5.211 -11.453 3.813 1.00 1.03 C ATOM 0 H ILE A 51 3.546 -9.122 7.143 1.00 32.43 H new ATOM 0 HA ILE A 51 6.431 -8.607 7.020 1.00 74.05 H new ATOM 0 HB ILE A 51 4.976 -8.785 4.375 1.00 33.15 H new ATOM 0 HG12 ILE A 51 6.002 -11.272 5.775 1.00 42.31 H new ATOM 0 HG13 ILE A 51 4.307 -10.849 5.637 1.00 42.31 H new ATOM 0 HG21 ILE A 51 7.231 -9.580 3.663 1.00 62.52 H new ATOM 0 HG22 ILE A 51 7.339 -8.038 4.546 1.00 62.52 H new ATOM 0 HG23 ILE A 51 7.763 -9.562 5.361 1.00 62.52 H new ATOM 0 HD11 ILE A 51 4.939 -12.498 3.962 1.00 1.03 H new ATOM 0 HD12 ILE A 51 4.463 -10.969 3.185 1.00 1.03 H new ATOM 0 HD13 ILE A 51 6.184 -11.398 3.326 1.00 1.03 H new ATOM 853 N GLU A 52 5.964 -6.188 6.741 1.00 32.23 N ATOM 854 CA GLU A 52 5.688 -4.741 6.719 1.00 12.41 C ATOM 855 C GLU A 52 6.264 -4.051 5.474 1.00 42.23 C ATOM 856 O GLU A 52 7.476 -4.026 5.279 1.00 70.40 O ATOM 857 CB GLU A 52 6.247 -4.063 7.987 1.00 33.21 C ATOM 858 CG GLU A 52 5.434 -4.295 9.270 1.00 45.03 C ATOM 859 CD GLU A 52 5.518 -5.708 9.825 1.00 64.41 C ATOM 860 OE1 GLU A 52 6.502 -6.015 10.519 1.00 3.41 O ATOM 861 OE2 GLU A 52 4.595 -6.503 9.569 1.00 4.20 O ATOM 0 H GLU A 52 6.845 -6.433 7.192 1.00 32.23 H new ATOM 0 HA GLU A 52 4.604 -4.632 6.688 1.00 12.41 H new ATOM 0 HB2 GLU A 52 7.264 -4.420 8.152 1.00 33.21 H new ATOM 0 HB3 GLU A 52 6.311 -2.990 7.807 1.00 33.21 H new ATOM 0 HG2 GLU A 52 5.778 -3.598 10.034 1.00 45.03 H new ATOM 0 HG3 GLU A 52 4.389 -4.059 9.070 1.00 45.03 H new ATOM 868 N PHE A 53 5.364 -3.529 4.620 1.00 51.44 N ATOM 869 CA PHE A 53 5.752 -2.763 3.410 1.00 1.50 C ATOM 870 C PHE A 53 5.399 -1.289 3.569 1.00 51.02 C ATOM 871 O PHE A 53 4.617 -0.935 4.449 1.00 73.21 O ATOM 872 CB PHE A 53 5.068 -3.303 2.141 1.00 24.51 C ATOM 873 CG PHE A 53 5.215 -4.770 1.979 1.00 63.24 C ATOM 874 CD1 PHE A 53 6.453 -5.369 2.084 1.00 44.55 C ATOM 875 CD2 PHE A 53 4.107 -5.552 1.765 1.00 2.04 C ATOM 876 CE1 PHE A 53 6.577 -6.728 1.990 1.00 24.34 C ATOM 877 CE2 PHE A 53 4.230 -6.906 1.656 1.00 12.01 C ATOM 878 CZ PHE A 53 5.461 -7.498 1.774 1.00 21.43 C ATOM 0 H PHE A 53 4.356 -3.622 4.743 1.00 51.44 H new ATOM 0 HA PHE A 53 6.830 -2.878 3.300 1.00 1.50 H new ATOM 0 HB2 PHE A 53 4.008 -3.052 2.172 1.00 24.51 H new ATOM 0 HB3 PHE A 53 5.489 -2.803 1.268 1.00 24.51 H new ATOM 0 HD1 PHE A 53 7.331 -4.760 2.242 1.00 44.55 H new ATOM 0 HD2 PHE A 53 3.133 -5.093 1.683 1.00 2.04 H new ATOM 0 HE1 PHE A 53 7.547 -7.193 2.085 1.00 24.34 H new ATOM 0 HE2 PHE A 53 3.355 -7.513 1.476 1.00 12.01 H new ATOM 0 HZ PHE A 53 5.553 -8.571 1.697 1.00 21.43 H new ATOM 888 N GLU A 54 6.006 -0.425 2.748 1.00 22.22 N ATOM 889 CA GLU A 54 5.651 0.998 2.732 1.00 5.40 C ATOM 890 C GLU A 54 4.414 1.281 1.856 1.00 63.42 C ATOM 891 O GLU A 54 3.652 2.207 2.144 1.00 35.40 O ATOM 892 CB GLU A 54 6.844 1.890 2.319 1.00 24.23 C ATOM 893 CG GLU A 54 7.323 1.729 0.877 1.00 70.12 C ATOM 894 CD GLU A 54 8.483 2.645 0.518 1.00 23.42 C ATOM 895 OE1 GLU A 54 8.915 3.448 1.374 1.00 42.14 O ATOM 896 OE2 GLU A 54 8.959 2.577 -0.632 1.00 41.00 O ATOM 0 H GLU A 54 6.741 -0.684 2.090 1.00 22.22 H new ATOM 0 HA GLU A 54 5.388 1.259 3.757 1.00 5.40 H new ATOM 0 HB2 GLU A 54 6.566 2.932 2.476 1.00 24.23 H new ATOM 0 HB3 GLU A 54 7.680 1.679 2.986 1.00 24.23 H new ATOM 0 HG2 GLU A 54 7.624 0.694 0.716 1.00 70.12 H new ATOM 0 HG3 GLU A 54 6.491 1.928 0.202 1.00 70.12 H new ATOM 903 N ASP A 55 4.201 0.478 0.804 1.00 4.43 N ATOM 904 CA ASP A 55 3.098 0.726 -0.124 1.00 31.51 C ATOM 905 C ASP A 55 2.117 -0.428 -0.177 1.00 1.24 C ATOM 906 O ASP A 55 2.483 -1.582 -0.404 1.00 40.21 O ATOM 907 CB ASP A 55 3.611 1.033 -1.535 1.00 42.30 C ATOM 908 CG ASP A 55 3.635 2.523 -1.811 1.00 13.51 C ATOM 909 OD1 ASP A 55 2.538 3.111 -1.956 1.00 34.22 O ATOM 910 OD2 ASP A 55 4.733 3.108 -1.880 1.00 25.32 O ATOM 0 H ASP A 55 4.771 -0.337 0.579 1.00 4.43 H new ATOM 0 HA ASP A 55 2.570 1.599 0.260 1.00 31.51 H new ATOM 0 HB2 ASP A 55 4.615 0.625 -1.654 1.00 42.30 H new ATOM 0 HB3 ASP A 55 2.976 0.537 -2.269 1.00 42.30 H new ATOM 915 N ALA A 56 0.857 -0.075 0.059 1.00 71.42 N ATOM 916 CA ALA A 56 -0.252 -1.016 0.031 1.00 31.54 C ATOM 917 C ALA A 56 -0.704 -1.383 -1.382 1.00 34.22 C ATOM 918 O ALA A 56 -0.935 -2.553 -1.685 1.00 31.22 O ATOM 919 CB ALA A 56 -1.424 -0.433 0.794 1.00 44.32 C ATOM 0 H ALA A 56 0.577 0.881 0.277 1.00 71.42 H new ATOM 0 HA ALA A 56 0.104 -1.935 0.497 1.00 31.54 H new ATOM 0 HB1 ALA A 56 -2.257 -1.136 0.775 1.00 44.32 H new ATOM 0 HB2 ALA A 56 -1.130 -0.247 1.827 1.00 44.32 H new ATOM 0 HB3 ALA A 56 -1.730 0.505 0.330 1.00 44.32 H new ATOM 925 N ARG A 57 -0.847 -0.367 -2.242 1.00 11.41 N ATOM 926 CA ARG A 57 -1.502 -0.537 -3.548 1.00 50.14 C ATOM 927 C ARG A 57 -0.605 -1.236 -4.584 1.00 2.24 C ATOM 928 O ARG A 57 -1.103 -1.822 -5.544 1.00 13.12 O ATOM 929 CB ARG A 57 -2.080 0.802 -4.079 1.00 15.25 C ATOM 930 CG ARG A 57 -1.125 1.756 -4.808 1.00 3.34 C ATOM 931 CD ARG A 57 -0.054 2.344 -3.904 1.00 63.23 C ATOM 932 NE ARG A 57 0.495 3.588 -4.449 1.00 64.32 N ATOM 933 CZ ARG A 57 1.539 3.672 -5.287 1.00 4.04 C ATOM 934 NH1 ARG A 57 2.183 2.581 -5.707 1.00 43.42 N ATOM 935 NH2 ARG A 57 1.936 4.870 -5.701 1.00 70.50 N ATOM 0 H ARG A 57 -0.519 0.581 -2.059 1.00 11.41 H new ATOM 0 HA ARG A 57 -2.344 -1.209 -3.384 1.00 50.14 H new ATOM 0 HB2 ARG A 57 -2.900 0.567 -4.757 1.00 15.25 H new ATOM 0 HB3 ARG A 57 -2.509 1.340 -3.234 1.00 15.25 H new ATOM 0 HG2 ARG A 57 -0.645 1.222 -5.628 1.00 3.34 H new ATOM 0 HG3 ARG A 57 -1.702 2.568 -5.251 1.00 3.34 H new ATOM 0 HD2 ARG A 57 -0.476 2.534 -2.917 1.00 63.23 H new ATOM 0 HD3 ARG A 57 0.749 1.619 -3.773 1.00 63.23 H new ATOM 0 HE ARG A 57 0.047 4.461 -4.169 1.00 64.32 H new ATOM 0 HH11 ARG A 57 1.884 1.659 -5.391 1.00 43.42 H new ATOM 0 HH12 ARG A 57 2.974 2.670 -6.344 1.00 43.42 H new ATOM 0 HH21 ARG A 57 1.449 5.707 -5.382 1.00 70.50 H new ATOM 0 HH22 ARG A 57 2.728 4.953 -6.338 1.00 70.50 H new ATOM 949 N ASP A 58 0.715 -1.159 -4.381 1.00 74.34 N ATOM 950 CA ASP A 58 1.685 -1.845 -5.243 1.00 31.02 C ATOM 951 C ASP A 58 1.664 -3.357 -4.955 1.00 1.14 C ATOM 952 O ASP A 58 1.799 -4.193 -5.855 1.00 13.30 O ATOM 953 CB ASP A 58 3.084 -1.267 -4.995 1.00 24.34 C ATOM 954 CG ASP A 58 4.054 -1.552 -6.127 1.00 22.23 C ATOM 955 OD1 ASP A 58 4.080 -0.753 -7.091 1.00 2.30 O ATOM 956 OD2 ASP A 58 4.795 -2.552 -6.051 1.00 71.20 O ATOM 0 H ASP A 58 1.138 -0.625 -3.622 1.00 74.34 H new ATOM 0 HA ASP A 58 1.420 -1.691 -6.289 1.00 31.02 H new ATOM 0 HB2 ASP A 58 3.006 -0.189 -4.854 1.00 24.34 H new ATOM 0 HB3 ASP A 58 3.483 -1.681 -4.069 1.00 24.34 H new ATOM 961 N ALA A 59 1.425 -3.678 -3.687 1.00 30.23 N ATOM 962 CA ALA A 59 1.352 -5.049 -3.198 1.00 2.03 C ATOM 963 C ALA A 59 0.066 -5.753 -3.614 1.00 64.40 C ATOM 964 O ALA A 59 0.040 -6.977 -3.688 1.00 20.13 O ATOM 965 CB ALA A 59 1.444 -5.050 -1.692 1.00 63.41 C ATOM 0 H ALA A 59 1.274 -2.980 -2.959 1.00 30.23 H new ATOM 0 HA ALA A 59 2.186 -5.593 -3.641 1.00 2.03 H new ATOM 0 HB1 ALA A 59 1.390 -6.075 -1.325 1.00 63.41 H new ATOM 0 HB2 ALA A 59 2.390 -4.604 -1.385 1.00 63.41 H new ATOM 0 HB3 ALA A 59 0.619 -4.471 -1.277 1.00 63.41 H new ATOM 971 N ALA A 60 -1.001 -4.961 -3.816 1.00 1.13 N ATOM 972 CA ALA A 60 -2.356 -5.457 -4.119 1.00 42.43 C ATOM 973 C ALA A 60 -2.431 -6.386 -5.353 1.00 44.11 C ATOM 974 O ALA A 60 -3.240 -7.312 -5.371 1.00 12.32 O ATOM 975 CB ALA A 60 -3.312 -4.274 -4.303 1.00 0.42 C ATOM 0 H ALA A 60 -0.946 -3.943 -3.773 1.00 1.13 H new ATOM 0 HA ALA A 60 -2.652 -6.066 -3.265 1.00 42.43 H new ATOM 0 HB1 ALA A 60 -4.312 -4.646 -4.527 1.00 0.42 H new ATOM 0 HB2 ALA A 60 -3.341 -3.684 -3.387 1.00 0.42 H new ATOM 0 HB3 ALA A 60 -2.964 -3.650 -5.126 1.00 0.42 H new ATOM 981 N ASP A 61 -1.585 -6.137 -6.363 1.00 23.00 N ATOM 982 CA ASP A 61 -1.518 -6.984 -7.575 1.00 2.03 C ATOM 983 C ASP A 61 -0.896 -8.362 -7.302 1.00 23.14 C ATOM 984 O ASP A 61 -1.334 -9.391 -7.841 1.00 51.50 O ATOM 985 CB ASP A 61 -0.749 -6.271 -8.699 1.00 75.32 C ATOM 986 CG ASP A 61 -1.658 -5.463 -9.613 1.00 1.44 C ATOM 987 OD1 ASP A 61 -2.887 -5.685 -9.586 1.00 3.03 O ATOM 988 OD2 ASP A 61 -1.139 -4.639 -10.392 1.00 4.13 O ATOM 0 H ASP A 61 -0.932 -5.353 -6.369 1.00 23.00 H new ATOM 0 HA ASP A 61 -2.547 -7.151 -7.893 1.00 2.03 H new ATOM 0 HB2 ASP A 61 -0.002 -5.610 -8.260 1.00 75.32 H new ATOM 0 HB3 ASP A 61 -0.211 -7.011 -9.291 1.00 75.32 H new ATOM 993 N ALA A 62 0.103 -8.396 -6.453 1.00 35.21 N ATOM 994 CA ALA A 62 0.726 -9.645 -6.083 1.00 12.51 C ATOM 995 C ALA A 62 -0.156 -10.434 -5.102 1.00 30.05 C ATOM 996 O ALA A 62 -0.287 -11.673 -5.187 1.00 60.02 O ATOM 997 CB ALA A 62 2.089 -9.353 -5.521 1.00 1.13 C ATOM 0 H ALA A 62 0.503 -7.572 -6.004 1.00 35.21 H new ATOM 0 HA ALA A 62 0.840 -10.280 -6.962 1.00 12.51 H new ATOM 0 HB1 ALA A 62 2.573 -10.287 -5.236 1.00 1.13 H new ATOM 0 HB2 ALA A 62 2.692 -8.846 -6.274 1.00 1.13 H new ATOM 0 HB3 ALA A 62 1.992 -8.713 -4.644 1.00 1.13 H new ATOM 1003 N ILE A 63 -0.832 -9.710 -4.218 1.00 14.21 N ATOM 1004 CA ILE A 63 -1.768 -10.334 -3.328 1.00 32.33 C ATOM 1005 C ILE A 63 -2.973 -10.854 -4.124 1.00 52.10 C ATOM 1006 O ILE A 63 -3.482 -11.864 -3.765 1.00 32.12 O ATOM 1007 CB ILE A 63 -2.151 -9.440 -2.094 1.00 55.13 C ATOM 1008 CG1 ILE A 63 -2.212 -10.287 -0.793 1.00 73.35 C ATOM 1009 CG2 ILE A 63 -3.453 -8.657 -2.289 1.00 64.00 C ATOM 1010 CD1 ILE A 63 -3.374 -11.268 -0.669 1.00 63.31 C ATOM 0 H ILE A 63 -0.742 -8.700 -4.108 1.00 14.21 H new ATOM 0 HA ILE A 63 -1.281 -11.195 -2.870 1.00 32.33 H new ATOM 0 HB ILE A 63 -1.357 -8.699 -2.001 1.00 55.13 H new ATOM 0 HG12 ILE A 63 -1.282 -10.849 -0.709 1.00 73.35 H new ATOM 0 HG13 ILE A 63 -2.250 -9.605 0.056 1.00 73.35 H new ATOM 0 HG21 ILE A 63 -3.656 -8.062 -1.399 1.00 64.00 H new ATOM 0 HG22 ILE A 63 -3.356 -7.998 -3.152 1.00 64.00 H new ATOM 0 HG23 ILE A 63 -4.275 -9.353 -2.455 1.00 64.00 H new ATOM 0 HD11 ILE A 63 -3.304 -11.797 0.281 1.00 63.31 H new ATOM 0 HD12 ILE A 63 -4.317 -10.723 -0.712 1.00 63.31 H new ATOM 0 HD13 ILE A 63 -3.333 -11.986 -1.488 1.00 63.31 H new ATOM 1022 N LYS A 64 -3.383 -10.207 -5.235 1.00 71.24 N ATOM 1023 CA LYS A 64 -4.428 -10.791 -6.082 1.00 50.14 C ATOM 1024 C LYS A 64 -3.873 -11.932 -6.959 1.00 42.12 C ATOM 1025 O LYS A 64 -4.640 -12.769 -7.440 1.00 31.22 O ATOM 1026 CB LYS A 64 -5.210 -9.728 -6.897 1.00 10.52 C ATOM 1027 CG LYS A 64 -4.413 -9.009 -7.969 1.00 4.44 C ATOM 1028 CD LYS A 64 -4.669 -9.545 -9.377 1.00 34.41 C ATOM 1029 CE LYS A 64 -3.705 -8.921 -10.381 1.00 62.42 C ATOM 1030 NZ LYS A 64 -4.112 -9.174 -11.791 1.00 4.04 N ATOM 0 H LYS A 64 -3.017 -9.310 -5.554 1.00 71.24 H new ATOM 0 HA LYS A 64 -5.164 -11.236 -5.413 1.00 50.14 H new ATOM 0 HB2 LYS A 64 -6.064 -10.214 -7.369 1.00 10.52 H new ATOM 0 HB3 LYS A 64 -5.607 -8.985 -6.205 1.00 10.52 H new ATOM 0 HG2 LYS A 64 -4.657 -7.947 -7.942 1.00 4.44 H new ATOM 0 HG3 LYS A 64 -3.351 -9.097 -7.742 1.00 4.44 H new ATOM 0 HD2 LYS A 64 -4.556 -10.629 -9.384 1.00 34.41 H new ATOM 0 HD3 LYS A 64 -5.696 -9.330 -9.671 1.00 34.41 H new ATOM 0 HE2 LYS A 64 -3.651 -7.846 -10.209 1.00 62.42 H new ATOM 0 HE3 LYS A 64 -2.704 -9.321 -10.217 1.00 62.42 H new ATOM 0 HZ1 LYS A 64 -3.426 -8.731 -12.435 1.00 4.04 H new ATOM 0 HZ2 LYS A 64 -4.139 -10.199 -11.966 1.00 4.04 H new ATOM 0 HZ3 LYS A 64 -5.055 -8.769 -11.958 1.00 4.04 H new ATOM 1044 N GLU A 65 -2.541 -11.975 -7.183 1.00 32.05 N ATOM 1045 CA GLU A 65 -1.956 -13.155 -7.834 1.00 63.13 C ATOM 1046 C GLU A 65 -1.954 -14.386 -6.882 1.00 64.45 C ATOM 1047 O GLU A 65 -2.013 -15.514 -7.378 1.00 23.24 O ATOM 1048 CB GLU A 65 -0.567 -12.857 -8.507 1.00 45.03 C ATOM 1049 CG GLU A 65 0.713 -13.094 -7.683 1.00 10.12 C ATOM 1050 CD GLU A 65 1.327 -14.478 -7.856 1.00 52.34 C ATOM 1051 OE1 GLU A 65 1.739 -14.816 -8.990 1.00 64.43 O ATOM 1052 OE2 GLU A 65 1.403 -15.226 -6.858 1.00 30.52 O ATOM 0 H GLU A 65 -1.880 -11.239 -6.934 1.00 32.05 H new ATOM 0 HA GLU A 65 -2.604 -13.424 -8.668 1.00 63.13 H new ATOM 0 HB2 GLU A 65 -0.498 -13.465 -9.409 1.00 45.03 H new ATOM 0 HB3 GLU A 65 -0.569 -11.814 -8.825 1.00 45.03 H new ATOM 0 HG2 GLU A 65 1.454 -12.344 -7.961 1.00 10.12 H new ATOM 0 HG3 GLU A 65 0.485 -12.941 -6.628 1.00 10.12 H new ATOM 1059 N LYS A 66 -1.908 -14.208 -5.522 1.00 30.03 N ATOM 1060 CA LYS A 66 -2.193 -15.407 -4.647 1.00 4.15 C ATOM 1061 C LYS A 66 -3.507 -15.350 -3.779 1.00 53.25 C ATOM 1062 O LYS A 66 -3.675 -16.169 -2.870 1.00 32.41 O ATOM 1063 CB LYS A 66 -0.977 -15.858 -3.792 1.00 32.10 C ATOM 1064 CG LYS A 66 -0.574 -14.991 -2.592 1.00 61.24 C ATOM 1065 CD LYS A 66 0.229 -13.745 -2.948 1.00 50.54 C ATOM 1066 CE LYS A 66 1.502 -14.051 -3.738 1.00 12.21 C ATOM 1067 NZ LYS A 66 2.407 -15.010 -3.046 1.00 3.03 N ATOM 0 H LYS A 66 -1.698 -13.335 -5.038 1.00 30.03 H new ATOM 0 HA LYS A 66 -2.389 -16.177 -5.393 1.00 4.15 H new ATOM 0 HB2 LYS A 66 -1.184 -16.863 -3.423 1.00 32.10 H new ATOM 0 HB3 LYS A 66 -0.114 -15.933 -4.454 1.00 32.10 H new ATOM 0 HG2 LYS A 66 -1.476 -14.686 -2.062 1.00 61.24 H new ATOM 0 HG3 LYS A 66 0.011 -15.599 -1.902 1.00 61.24 H new ATOM 0 HD2 LYS A 66 -0.399 -13.071 -3.531 1.00 50.54 H new ATOM 0 HD3 LYS A 66 0.496 -13.219 -2.031 1.00 50.54 H new ATOM 0 HE2 LYS A 66 1.228 -14.458 -4.712 1.00 12.21 H new ATOM 0 HE3 LYS A 66 2.040 -13.121 -3.921 1.00 12.21 H new ATOM 0 HZ1 LYS A 66 3.258 -15.163 -3.624 1.00 3.03 H new ATOM 0 HZ2 LYS A 66 2.682 -14.622 -2.121 1.00 3.03 H new ATOM 0 HZ3 LYS A 66 1.914 -15.916 -2.909 1.00 3.03 H new ATOM 1081 N ASP A 67 -4.414 -14.411 -4.069 1.00 11.23 N ATOM 1082 CA ASP A 67 -5.745 -14.275 -3.395 1.00 41.11 C ATOM 1083 C ASP A 67 -6.725 -15.363 -3.827 1.00 11.05 C ATOM 1084 O ASP A 67 -6.553 -15.976 -4.887 1.00 71.15 O ATOM 1085 CB ASP A 67 -6.359 -12.859 -3.505 1.00 5.24 C ATOM 1086 CG ASP A 67 -7.473 -12.667 -4.540 1.00 32.20 C ATOM 1087 OD1 ASP A 67 -7.176 -12.519 -5.737 1.00 61.05 O ATOM 1088 OD2 ASP A 67 -8.652 -12.613 -4.128 1.00 5.00 O ATOM 0 H ASP A 67 -4.258 -13.704 -4.788 1.00 11.23 H new ATOM 0 HA ASP A 67 -5.547 -14.422 -2.333 1.00 41.11 H new ATOM 0 HB2 ASP A 67 -6.753 -12.583 -2.527 1.00 5.24 H new ATOM 0 HB3 ASP A 67 -5.557 -12.158 -3.735 1.00 5.24 H new ATOM 1093 N GLY A 68 -7.746 -15.627 -3.008 1.00 32.51 N ATOM 1094 CA GLY A 68 -8.432 -16.893 -3.096 1.00 23.32 C ATOM 1095 C GLY A 68 -8.235 -17.739 -1.857 1.00 10.30 C ATOM 1096 O GLY A 68 -8.316 -18.971 -1.920 1.00 24.40 O ATOM 0 H GLY A 68 -8.101 -14.989 -2.296 1.00 32.51 H new ATOM 0 HA2 GLY A 68 -9.497 -16.717 -3.248 1.00 23.32 H new ATOM 0 HA3 GLY A 68 -8.072 -17.439 -3.968 1.00 23.32 H new ATOM 1100 N CYS A 69 -7.921 -17.046 -0.752 1.00 12.22 N ATOM 1101 CA CYS A 69 -7.557 -17.669 0.517 1.00 33.43 C ATOM 1102 C CYS A 69 -8.638 -18.622 1.054 1.00 41.03 C ATOM 1103 O CYS A 69 -9.838 -18.310 1.074 1.00 53.15 O ATOM 1104 CB CYS A 69 -7.266 -16.560 1.550 1.00 24.25 C ATOM 1105 SG CYS A 69 -8.585 -15.339 1.754 1.00 13.20 S ATOM 0 H CYS A 69 -7.914 -16.027 -0.720 1.00 12.22 H new ATOM 0 HA CYS A 69 -6.671 -18.279 0.344 1.00 33.43 H new ATOM 0 HB2 CYS A 69 -7.071 -17.026 2.516 1.00 24.25 H new ATOM 0 HB3 CYS A 69 -6.354 -16.041 1.256 1.00 24.25 H new ATOM 0 HG CYS A 69 -8.230 -14.462 2.645 1.00 13.20 H new ATOM 1111 N ASP A 70 -8.169 -19.788 1.495 1.00 54.32 N ATOM 1112 CA ASP A 70 -9.044 -20.877 1.846 1.00 43.20 C ATOM 1113 C ASP A 70 -8.704 -21.489 3.202 1.00 12.15 C ATOM 1114 O ASP A 70 -7.522 -21.540 3.626 1.00 3.42 O ATOM 1115 CB ASP A 70 -9.004 -21.933 0.756 1.00 2.44 C ATOM 1116 CG ASP A 70 -10.394 -22.372 0.333 1.00 70.23 C ATOM 1117 OD1 ASP A 70 -11.084 -23.035 1.133 1.00 45.35 O ATOM 1118 OD2 ASP A 70 -10.792 -22.065 -0.809 1.00 43.50 O ATOM 0 H ASP A 70 -7.177 -19.992 1.614 1.00 54.32 H new ATOM 0 HA ASP A 70 -10.054 -20.476 1.932 1.00 43.20 H new ATOM 0 HB2 ASP A 70 -8.470 -21.540 -0.109 1.00 2.44 H new ATOM 0 HB3 ASP A 70 -8.444 -22.798 1.111 1.00 2.44 H new ATOM 1123 N PHE A 71 -9.779 -21.976 3.827 1.00 21.41 N ATOM 1124 CA PHE A 71 -9.829 -22.475 5.202 1.00 24.43 C ATOM 1125 C PHE A 71 -10.789 -23.681 5.313 1.00 10.34 C ATOM 1126 O PHE A 71 -11.774 -23.737 4.571 1.00 34.23 O ATOM 1127 CB PHE A 71 -10.201 -21.363 6.218 1.00 70.33 C ATOM 1128 CG PHE A 71 -11.263 -20.393 5.758 1.00 41.24 C ATOM 1129 CD1 PHE A 71 -12.611 -20.677 5.922 1.00 32.35 C ATOM 1130 CD2 PHE A 71 -10.902 -19.189 5.173 1.00 0.10 C ATOM 1131 CE1 PHE A 71 -13.574 -19.778 5.506 1.00 35.44 C ATOM 1132 CE2 PHE A 71 -11.858 -18.291 4.754 1.00 11.22 C ATOM 1133 CZ PHE A 71 -13.197 -18.582 4.922 1.00 34.12 C ATOM 0 H PHE A 71 -10.685 -22.036 3.362 1.00 21.41 H new ATOM 0 HA PHE A 71 -8.825 -22.812 5.460 1.00 24.43 H new ATOM 0 HB2 PHE A 71 -10.540 -21.836 7.140 1.00 70.33 H new ATOM 0 HB3 PHE A 71 -9.300 -20.800 6.461 1.00 70.33 H new ATOM 0 HD1 PHE A 71 -12.910 -21.609 6.379 1.00 32.35 H new ATOM 0 HD2 PHE A 71 -9.856 -18.952 5.044 1.00 0.10 H new ATOM 0 HE1 PHE A 71 -14.621 -20.009 5.637 1.00 35.44 H new ATOM 0 HE2 PHE A 71 -11.561 -17.360 4.294 1.00 11.22 H new ATOM 0 HZ PHE A 71 -13.949 -17.877 4.598 1.00 34.12 H new ATOM 1143 N GLU A 72 -10.458 -24.657 6.197 1.00 15.53 N ATOM 1144 CA GLU A 72 -11.290 -25.874 6.447 1.00 21.13 C ATOM 1145 C GLU A 72 -11.251 -26.907 5.309 1.00 41.41 C ATOM 1146 O GLU A 72 -12.215 -27.114 4.566 1.00 33.31 O ATOM 1147 CB GLU A 72 -12.751 -25.555 6.858 1.00 3.41 C ATOM 1148 CG GLU A 72 -12.866 -24.722 8.134 1.00 34.42 C ATOM 1149 CD GLU A 72 -14.252 -24.762 8.765 1.00 12.42 C ATOM 1150 OE1 GLU A 72 -15.132 -23.988 8.326 1.00 42.11 O ATOM 1151 OE2 GLU A 72 -14.454 -25.553 9.713 1.00 31.23 O ATOM 0 H GLU A 72 -9.607 -24.627 6.759 1.00 15.53 H new ATOM 0 HA GLU A 72 -10.808 -26.339 7.307 1.00 21.13 H new ATOM 0 HB2 GLU A 72 -13.240 -25.022 6.042 1.00 3.41 H new ATOM 0 HB3 GLU A 72 -13.292 -26.491 6.997 1.00 3.41 H new ATOM 0 HG2 GLU A 72 -12.135 -25.080 8.859 1.00 34.42 H new ATOM 0 HG3 GLU A 72 -12.609 -23.687 7.907 1.00 34.42 H new ATOM 1158 N GLY A 73 -10.067 -27.503 5.164 1.00 40.00 N ATOM 1159 CA GLY A 73 -9.819 -28.565 4.191 1.00 3.15 C ATOM 1160 C GLY A 73 -9.088 -28.103 2.942 1.00 44.25 C ATOM 1161 O GLY A 73 -8.626 -28.928 2.153 1.00 51.15 O ATOM 0 H GLY A 73 -9.249 -27.260 5.722 1.00 40.00 H new ATOM 0 HA2 GLY A 73 -9.237 -29.353 4.669 1.00 3.15 H new ATOM 0 HA3 GLY A 73 -10.772 -29.006 3.899 1.00 3.15 H new ATOM 1165 N ASN A 74 -8.967 -26.800 2.768 1.00 53.22 N ATOM 1166 CA ASN A 74 -7.945 -26.228 1.905 1.00 4.52 C ATOM 1167 C ASN A 74 -7.098 -25.298 2.754 1.00 34.21 C ATOM 1168 O ASN A 74 -7.636 -24.460 3.464 1.00 11.54 O ATOM 1169 CB ASN A 74 -8.556 -25.479 0.714 1.00 41.22 C ATOM 1170 CG ASN A 74 -9.137 -26.396 -0.348 1.00 44.11 C ATOM 1171 OD1 ASN A 74 -10.302 -26.787 -0.288 1.00 55.45 O ATOM 1172 ND2 ASN A 74 -8.324 -26.735 -1.337 1.00 13.45 N ATOM 0 H ASN A 74 -9.569 -26.110 3.217 1.00 53.22 H new ATOM 0 HA ASN A 74 -7.334 -27.025 1.481 1.00 4.52 H new ATOM 0 HB2 ASN A 74 -9.340 -24.815 1.077 1.00 41.22 H new ATOM 0 HB3 ASN A 74 -7.790 -24.850 0.260 1.00 41.22 H new ATOM 0 HD21 ASN A 74 -8.657 -27.342 -2.086 1.00 13.45 H new ATOM 0 HD22 ASN A 74 -7.364 -26.389 -1.350 1.00 13.45 H new ATOM 1179 N LYS A 75 -5.795 -25.526 2.787 1.00 21.44 N ATOM 1180 CA LYS A 75 -4.885 -24.669 3.551 1.00 0.41 C ATOM 1181 C LYS A 75 -4.284 -23.586 2.665 1.00 31.12 C ATOM 1182 O LYS A 75 -3.374 -23.883 1.881 1.00 60.25 O ATOM 1183 CB LYS A 75 -3.759 -25.494 4.209 1.00 4.32 C ATOM 1184 CG LYS A 75 -4.090 -26.080 5.587 1.00 52.41 C ATOM 1185 CD LYS A 75 -5.175 -27.159 5.548 1.00 33.45 C ATOM 1186 CE LYS A 75 -6.488 -26.668 6.151 1.00 40.41 C ATOM 1187 NZ LYS A 75 -6.391 -26.475 7.624 1.00 2.32 N ATOM 0 H LYS A 75 -5.338 -26.295 2.296 1.00 21.44 H new ATOM 0 HA LYS A 75 -5.470 -24.194 4.338 1.00 0.41 H new ATOM 0 HB2 LYS A 75 -3.493 -26.312 3.540 1.00 4.32 H new ATOM 0 HB3 LYS A 75 -2.877 -24.861 4.305 1.00 4.32 H new ATOM 0 HG2 LYS A 75 -3.184 -26.503 6.020 1.00 52.41 H new ATOM 0 HG3 LYS A 75 -4.413 -25.275 6.247 1.00 52.41 H new ATOM 0 HD2 LYS A 75 -5.343 -27.468 4.516 1.00 33.45 H new ATOM 0 HD3 LYS A 75 -4.832 -28.039 6.093 1.00 33.45 H new ATOM 0 HE2 LYS A 75 -6.773 -25.727 5.681 1.00 40.41 H new ATOM 0 HE3 LYS A 75 -7.278 -27.386 5.931 1.00 40.41 H new ATOM 0 HZ1 LYS A 75 -7.345 -26.374 8.025 1.00 2.32 H new ATOM 0 HZ2 LYS A 75 -5.921 -27.298 8.052 1.00 2.32 H new ATOM 0 HZ3 LYS A 75 -5.839 -25.617 7.826 1.00 2.32 H new ATOM 1201 N LEU A 76 -4.773 -22.337 2.773 1.00 12.32 N ATOM 1202 CA LEU A 76 -4.190 -21.246 1.969 1.00 54.33 C ATOM 1203 C LEU A 76 -4.616 -19.861 2.473 1.00 13.15 C ATOM 1204 O LEU A 76 -5.361 -19.186 1.806 1.00 22.15 O ATOM 1205 CB LEU A 76 -4.617 -21.408 0.482 1.00 33.20 C ATOM 1206 CG LEU A 76 -3.906 -20.515 -0.548 1.00 41.33 C ATOM 1207 CD1 LEU A 76 -2.525 -21.056 -0.884 1.00 24.22 C ATOM 1208 CD2 LEU A 76 -4.760 -20.380 -1.799 1.00 2.15 C ATOM 0 H LEU A 76 -5.542 -22.063 3.385 1.00 12.32 H new ATOM 0 HA LEU A 76 -3.106 -21.314 2.063 1.00 54.33 H new ATOM 0 HB2 LEU A 76 -4.459 -22.448 0.195 1.00 33.20 H new ATOM 0 HB3 LEU A 76 -5.688 -21.217 0.414 1.00 33.20 H new ATOM 0 HG LEU A 76 -3.771 -19.525 -0.112 1.00 41.33 H new ATOM 0 HD11 LEU A 76 -2.047 -20.404 -1.615 1.00 24.22 H new ATOM 0 HD12 LEU A 76 -1.919 -21.093 0.021 1.00 24.22 H new ATOM 0 HD13 LEU A 76 -2.618 -22.059 -1.300 1.00 24.22 H new ATOM 0 HD21 LEU A 76 -4.248 -19.746 -2.522 1.00 2.15 H new ATOM 0 HD22 LEU A 76 -4.926 -21.365 -2.234 1.00 2.15 H new ATOM 0 HD23 LEU A 76 -5.719 -19.932 -1.538 1.00 2.15 H new ATOM 1220 N ARG A 77 -4.145 -19.387 3.625 1.00 72.42 N ATOM 1221 CA ARG A 77 -4.584 -18.063 4.052 1.00 35.21 C ATOM 1222 C ARG A 77 -3.541 -17.019 3.649 1.00 21.15 C ATOM 1223 O ARG A 77 -2.431 -17.012 4.127 1.00 24.53 O ATOM 1224 CB ARG A 77 -4.898 -18.066 5.571 1.00 12.01 C ATOM 1225 CG ARG A 77 -4.910 -16.690 6.262 1.00 24.15 C ATOM 1226 CD ARG A 77 -5.956 -15.727 5.690 1.00 34.20 C ATOM 1227 NE ARG A 77 -7.345 -16.137 5.961 1.00 50.44 N ATOM 1228 CZ ARG A 77 -8.405 -15.335 5.770 1.00 74.25 C ATOM 1229 NH1 ARG A 77 -8.238 -14.094 5.314 1.00 70.34 N ATOM 1230 NH2 ARG A 77 -9.622 -15.775 6.060 1.00 43.12 N ATOM 0 H ARG A 77 -3.496 -19.868 4.248 1.00 72.42 H new ATOM 0 HA ARG A 77 -5.512 -17.793 3.549 1.00 35.21 H new ATOM 0 HB2 ARG A 77 -5.872 -18.533 5.719 1.00 12.01 H new ATOM 0 HB3 ARG A 77 -4.163 -18.695 6.072 1.00 12.01 H new ATOM 0 HG2 ARG A 77 -5.099 -16.829 7.326 1.00 24.15 H new ATOM 0 HG3 ARG A 77 -3.923 -16.238 6.170 1.00 24.15 H new ATOM 0 HD2 ARG A 77 -5.791 -14.734 6.108 1.00 34.20 H new ATOM 0 HD3 ARG A 77 -5.813 -15.647 4.612 1.00 34.20 H new ATOM 0 HE ARG A 77 -7.510 -17.080 6.312 1.00 50.44 H new ATOM 0 HH11 ARG A 77 -7.301 -13.748 5.108 1.00 70.34 H new ATOM 0 HH12 ARG A 77 -9.047 -13.490 5.171 1.00 70.34 H new ATOM 0 HH21 ARG A 77 -9.749 -16.718 6.426 1.00 43.12 H new ATOM 0 HH22 ARG A 77 -10.431 -15.170 5.917 1.00 43.12 H new ATOM 1244 N VAL A 78 -3.903 -16.169 2.704 1.00 42.03 N ATOM 1245 CA VAL A 78 -3.091 -15.008 2.375 1.00 21.24 C ATOM 1246 C VAL A 78 -4.004 -13.792 2.392 1.00 10.53 C ATOM 1247 O VAL A 78 -4.978 -13.754 1.631 1.00 12.03 O ATOM 1248 CB VAL A 78 -2.410 -15.093 0.971 1.00 24.00 C ATOM 1249 CG1 VAL A 78 -1.212 -14.153 0.910 1.00 51.31 C ATOM 1250 CG2 VAL A 78 -1.995 -16.516 0.589 1.00 74.34 C ATOM 0 H VAL A 78 -4.755 -16.260 2.150 1.00 42.03 H new ATOM 0 HA VAL A 78 -2.288 -14.949 3.109 1.00 21.24 H new ATOM 0 HB VAL A 78 -3.156 -14.783 0.240 1.00 24.00 H new ATOM 0 HG11 VAL A 78 -0.746 -14.221 -0.073 1.00 51.31 H new ATOM 0 HG12 VAL A 78 -1.543 -13.129 1.084 1.00 51.31 H new ATOM 0 HG13 VAL A 78 -0.489 -14.435 1.675 1.00 51.31 H new ATOM 0 HG21 VAL A 78 -1.529 -16.507 -0.396 1.00 74.34 H new ATOM 0 HG22 VAL A 78 -1.285 -16.897 1.323 1.00 74.34 H new ATOM 0 HG23 VAL A 78 -2.875 -17.158 0.568 1.00 74.34 H new ATOM 1260 N GLU A 79 -3.724 -12.818 3.249 1.00 53.21 N ATOM 1261 CA GLU A 79 -4.524 -11.600 3.248 1.00 23.14 C ATOM 1262 C GLU A 79 -3.690 -10.391 3.645 1.00 3.22 C ATOM 1263 O GLU A 79 -2.790 -10.473 4.504 1.00 11.32 O ATOM 1264 CB GLU A 79 -5.742 -11.720 4.186 1.00 4.35 C ATOM 1265 CG GLU A 79 -6.793 -10.638 3.951 1.00 51.50 C ATOM 1266 CD GLU A 79 -7.895 -10.648 4.985 1.00 34.24 C ATOM 1267 OE1 GLU A 79 -7.731 -9.994 6.025 1.00 22.45 O ATOM 1268 OE2 GLU A 79 -8.926 -11.303 4.752 1.00 3.31 O ATOM 0 H GLU A 79 -2.970 -12.844 3.936 1.00 53.21 H new ATOM 0 HA GLU A 79 -4.884 -11.461 2.229 1.00 23.14 H new ATOM 0 HB2 GLU A 79 -6.202 -12.699 4.050 1.00 4.35 H new ATOM 0 HB3 GLU A 79 -5.402 -11.668 5.220 1.00 4.35 H new ATOM 0 HG2 GLU A 79 -6.308 -9.662 3.955 1.00 51.50 H new ATOM 0 HG3 GLU A 79 -7.230 -10.773 2.962 1.00 51.50 H new ATOM 1275 N VAL A 80 -3.972 -9.282 2.982 1.00 42.31 N ATOM 1276 CA VAL A 80 -3.498 -7.998 3.424 1.00 1.34 C ATOM 1277 C VAL A 80 -4.516 -7.357 4.379 1.00 72.44 C ATOM 1278 O VAL A 80 -5.690 -7.175 4.043 1.00 23.41 O ATOM 1279 CB VAL A 80 -3.196 -7.056 2.224 1.00 4.02 C ATOM 1280 CG1 VAL A 80 -2.009 -7.585 1.459 1.00 44.03 C ATOM 1281 CG2 VAL A 80 -4.375 -6.910 1.263 1.00 23.12 C ATOM 0 H VAL A 80 -4.532 -9.254 2.130 1.00 42.31 H new ATOM 0 HA VAL A 80 -2.562 -8.151 3.960 1.00 1.34 H new ATOM 0 HB VAL A 80 -2.991 -6.070 2.641 1.00 4.02 H new ATOM 0 HG11 VAL A 80 -1.796 -6.926 0.617 1.00 44.03 H new ATOM 0 HG12 VAL A 80 -1.141 -7.626 2.117 1.00 44.03 H new ATOM 0 HG13 VAL A 80 -2.231 -8.586 1.089 1.00 44.03 H new ATOM 0 HG21 VAL A 80 -4.100 -6.240 0.448 1.00 23.12 H new ATOM 0 HG22 VAL A 80 -4.637 -7.887 0.857 1.00 23.12 H new ATOM 0 HG23 VAL A 80 -5.231 -6.498 1.797 1.00 23.12 H new ATOM 1291 N PRO A 81 -4.102 -7.032 5.614 1.00 44.21 N ATOM 1292 CA PRO A 81 -4.863 -6.126 6.469 1.00 55.44 C ATOM 1293 C PRO A 81 -4.483 -4.654 6.251 1.00 2.41 C ATOM 1294 O PRO A 81 -4.725 -3.817 7.122 1.00 63.22 O ATOM 1295 CB PRO A 81 -4.488 -6.596 7.880 1.00 5.15 C ATOM 1296 CG PRO A 81 -3.111 -7.152 7.751 1.00 3.53 C ATOM 1297 CD PRO A 81 -2.965 -7.641 6.331 1.00 34.34 C ATOM 0 HA PRO A 81 -5.933 -6.159 6.266 1.00 55.44 H new ATOM 0 HB2 PRO A 81 -4.515 -5.770 8.591 1.00 5.15 H new ATOM 0 HB3 PRO A 81 -5.186 -7.351 8.242 1.00 5.15 H new ATOM 0 HG2 PRO A 81 -2.365 -6.390 7.975 1.00 3.53 H new ATOM 0 HG3 PRO A 81 -2.956 -7.967 8.458 1.00 3.53 H new ATOM 0 HD2 PRO A 81 -2.012 -7.332 5.900 1.00 34.34 H new ATOM 0 HD3 PRO A 81 -3.000 -8.729 6.280 1.00 34.34 H new ATOM 1305 N PHE A 82 -3.901 -4.341 5.086 1.00 52.34 N ATOM 1306 CA PHE A 82 -3.516 -2.967 4.788 1.00 0.34 C ATOM 1307 C PHE A 82 -4.265 -2.380 3.596 1.00 3.45 C ATOM 1308 O PHE A 82 -3.857 -1.335 3.087 1.00 1.42 O ATOM 1309 CB PHE A 82 -1.982 -2.825 4.578 1.00 71.10 C ATOM 1310 CG PHE A 82 -1.313 -3.592 3.432 1.00 62.21 C ATOM 1311 CD1 PHE A 82 -1.798 -3.609 2.130 1.00 21.12 C ATOM 1312 CD2 PHE A 82 -0.126 -4.227 3.669 1.00 62.25 C ATOM 1313 CE1 PHE A 82 -1.109 -4.244 1.131 1.00 32.31 C ATOM 1314 CE2 PHE A 82 0.566 -4.870 2.688 1.00 41.23 C ATOM 1315 CZ PHE A 82 0.079 -4.880 1.415 1.00 33.33 C ATOM 0 H PHE A 82 -3.691 -5.013 4.348 1.00 52.34 H new ATOM 0 HA PHE A 82 -3.802 -2.391 5.668 1.00 0.34 H new ATOM 0 HB2 PHE A 82 -1.766 -1.766 4.435 1.00 71.10 H new ATOM 0 HB3 PHE A 82 -1.494 -3.127 5.505 1.00 71.10 H new ATOM 0 HD1 PHE A 82 -2.731 -3.115 1.903 1.00 21.12 H new ATOM 0 HD2 PHE A 82 0.278 -4.218 4.671 1.00 62.25 H new ATOM 0 HE1 PHE A 82 -1.496 -4.246 0.123 1.00 32.31 H new ATOM 0 HE2 PHE A 82 1.496 -5.369 2.917 1.00 41.23 H new ATOM 0 HZ PHE A 82 0.623 -5.385 0.631 1.00 33.33 H new ATOM 1325 N ASN A 83 -5.340 -3.045 3.143 1.00 11.32 N ATOM 1326 CA ASN A 83 -6.016 -2.661 1.894 1.00 50.31 C ATOM 1327 C ASN A 83 -6.890 -1.418 2.098 1.00 33.53 C ATOM 1328 O ASN A 83 -8.101 -1.521 2.289 1.00 13.10 O ATOM 1329 CB ASN A 83 -6.847 -3.837 1.345 1.00 50.30 C ATOM 1330 CG ASN A 83 -7.195 -3.690 -0.129 1.00 61.53 C ATOM 1331 OD1 ASN A 83 -6.431 -4.092 -1.000 1.00 14.35 O ATOM 1332 ND2 ASN A 83 -8.360 -3.122 -0.415 1.00 42.52 N ATOM 0 H ASN A 83 -5.757 -3.845 3.619 1.00 11.32 H new ATOM 0 HA ASN A 83 -5.252 -2.410 1.158 1.00 50.31 H new ATOM 0 HB2 ASN A 83 -6.292 -4.764 1.490 1.00 50.30 H new ATOM 0 HB3 ASN A 83 -7.768 -3.923 1.922 1.00 50.30 H new ATOM 0 HD21 ASN A 83 -8.647 -3.007 -1.387 1.00 42.52 H new ATOM 0 HD22 ASN A 83 -8.969 -2.800 0.337 1.00 42.52 H new ATOM 1339 N ALA A 84 -6.211 -0.263 2.110 1.00 5.51 N ATOM 1340 CA ALA A 84 -6.805 1.048 2.340 1.00 41.05 C ATOM 1341 C ALA A 84 -5.748 2.146 2.131 1.00 2.02 C ATOM 1342 O ALA A 84 -5.891 3.244 2.680 1.00 64.24 O ATOM 1343 CB ALA A 84 -7.363 1.153 3.754 1.00 11.25 C ATOM 0 H ALA A 84 -5.204 -0.221 1.955 1.00 5.51 H new ATOM 0 HA ALA A 84 -7.621 1.179 1.629 1.00 41.05 H new ATOM 0 HB1 ALA A 84 -7.801 2.141 3.900 1.00 11.25 H new ATOM 0 HB2 ALA A 84 -8.129 0.391 3.900 1.00 11.25 H new ATOM 0 HB3 ALA A 84 -6.559 1.002 4.475 1.00 11.25 H new ATOM 1349 N ARG A 85 -4.696 1.812 1.334 1.00 62.20 N ATOM 1350 CA ARG A 85 -3.552 2.705 0.985 1.00 70.23 C ATOM 1351 C ARG A 85 -2.554 2.881 2.161 1.00 4.21 C ATOM 1352 O ARG A 85 -1.358 2.627 1.989 1.00 12.34 O ATOM 1353 CB ARG A 85 -4.045 4.060 0.410 1.00 34.41 C ATOM 1354 CG ARG A 85 -3.013 4.877 -0.368 1.00 53.22 C ATOM 1355 CD ARG A 85 -2.232 5.838 0.519 1.00 13.42 C ATOM 1356 NE ARG A 85 -1.401 6.758 -0.269 1.00 30.00 N ATOM 1357 CZ ARG A 85 -0.059 6.741 -0.314 1.00 50.01 C ATOM 1358 NH1 ARG A 85 0.648 5.846 0.377 1.00 4.03 N ATOM 1359 NH2 ARG A 85 0.584 7.645 -1.051 1.00 11.43 N ATOM 0 H ARG A 85 -4.617 0.890 0.905 1.00 62.20 H new ATOM 0 HA ARG A 85 -2.989 2.210 0.193 1.00 70.23 H new ATOM 0 HB2 ARG A 85 -4.894 3.866 -0.246 1.00 34.41 H new ATOM 0 HB3 ARG A 85 -4.413 4.669 1.236 1.00 34.41 H new ATOM 0 HG2 ARG A 85 -2.317 4.199 -0.863 1.00 53.22 H new ATOM 0 HG3 ARG A 85 -3.519 5.442 -1.151 1.00 53.22 H new ATOM 0 HD2 ARG A 85 -2.927 6.411 1.133 1.00 13.42 H new ATOM 0 HD3 ARG A 85 -1.599 5.270 1.200 1.00 13.42 H new ATOM 0 HE ARG A 85 -1.881 7.465 -0.826 1.00 30.00 H new ATOM 0 HH11 ARG A 85 0.170 5.155 0.955 1.00 4.03 H new ATOM 0 HH12 ARG A 85 1.667 5.852 0.327 1.00 4.03 H new ATOM 0 HH21 ARG A 85 0.057 8.343 -1.576 1.00 11.43 H new ATOM 0 HH22 ARG A 85 1.603 7.639 -1.091 1.00 11.43 H new ATOM 1373 N GLU A 86 -3.045 3.335 3.319 1.00 14.25 N ATOM 1374 CA GLU A 86 -2.230 3.489 4.520 1.00 63.14 C ATOM 1375 C GLU A 86 -3.133 3.331 5.753 1.00 70.51 C ATOM 1376 O GLU A 86 -4.051 4.164 5.929 1.00 74.23 O ATOM 1377 CB GLU A 86 -1.504 4.851 4.508 1.00 12.23 C ATOM 1378 CG GLU A 86 -0.414 4.993 5.567 1.00 72.21 C ATOM 1379 CD GLU A 86 0.525 6.152 5.285 1.00 61.12 C ATOM 1380 OE1 GLU A 86 1.531 5.950 4.566 1.00 43.33 O ATOM 1381 OE2 GLU A 86 0.269 7.269 5.777 1.00 50.34 O ATOM 1382 OXT GLU A 86 -2.942 2.354 6.514 1.00 36.67 O ATOM 0 H GLU A 86 -4.020 3.605 3.446 1.00 14.25 H new ATOM 0 HA GLU A 86 -1.459 2.720 4.552 1.00 63.14 H new ATOM 0 HB2 GLU A 86 -1.060 5.004 3.524 1.00 12.23 H new ATOM 0 HB3 GLU A 86 -2.239 5.642 4.652 1.00 12.23 H new ATOM 0 HG2 GLU A 86 -0.877 5.135 6.543 1.00 72.21 H new ATOM 0 HG3 GLU A 86 0.161 4.068 5.618 1.00 72.21 H new TER 1389 GLU A 86