USER MOD reduce.3.24.130724 H: found=0, std=0, add=686, rem=0, adj=17 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 Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=-0.016) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0.0227 USER MOD Single : A 8 SER OG : rot 102:sc= 0.177 USER MOD Single : A -1 SER OG : rot 100:sc= 0.719 USER MOD Single : A -2 GLY N :NH3+ 152:sc= 0.00109 (180deg=0) USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 ASN : amide:sc= -0.0792 K(o=-0.079,f=-0.93) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 HIS : no HD1:sc=-0.00305 X(o=-0.0031,f=0) USER MOD Single : A 20 SER OG : rot 81:sc= 0.697 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 26 ASN : amide:sc= -0.0697 K(o=-0.07,f=-1.9!) USER MOD Single : A 30 LYS NZ :NH3+ -124:sc= 0.869 (180deg=-0.000853) USER MOD Single : A 31 TYR OH : rot -106:sc= 0.865 USER MOD Single : A 33 ASN : amide:sc= 0.0608 K(o=0.061,f=-2!) USER MOD Single : A 36 LYS NZ :NH3+ -110:sc= 0.0399 (180deg=0) USER MOD Single : A 37 CYS SG : rot 130:sc= -4.49! USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 SER OG : rot -42:sc= 0.15 USER MOD Single : A 64 LYS NZ :NH3+ -154:sc= -0.212 (180deg=-0.891) USER MOD Single : A 66 LYS NZ :NH3+ -137:sc= 0.0526 (180deg=0) USER MOD Single : A 69 CYS SG : rot 10:sc= -1.83 USER MOD Single : A 74 ASN : amide:sc= -0.474 X(o=-0.47,f=-0.91) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -2 -10.014 0.664 -4.039 1.00 62.35 N ATOM 2 CA GLY A -2 -8.966 1.518 -4.661 1.00 63.01 C ATOM 3 C GLY A -2 -9.230 2.991 -4.432 1.00 44.30 C ATOM 4 O GLY A -2 -10.371 3.438 -4.544 1.00 5.22 O ATOM 0 H1 GLY A -2 -10.096 -0.227 -4.570 1.00 62.35 H new ATOM 0 H2 GLY A -2 -9.754 0.457 -3.054 1.00 62.35 H new ATOM 0 H3 GLY A -2 -10.926 1.164 -4.059 1.00 62.35 H new ATOM 0 HA2 GLY A -2 -7.992 1.255 -4.249 1.00 63.01 H new ATOM 0 HA3 GLY A -2 -8.923 1.319 -5.732 1.00 63.01 H new ATOM 10 N SER A -1 -8.176 3.741 -4.113 1.00 33.05 N ATOM 11 CA SER A -1 -8.294 5.167 -3.819 1.00 3.25 C ATOM 12 C SER A -1 -7.229 5.960 -4.598 1.00 32.21 C ATOM 13 O SER A -1 -6.475 5.374 -5.388 1.00 53.41 O ATOM 14 CB SER A -1 -8.179 5.410 -2.301 1.00 10.42 C ATOM 15 OG SER A -1 -8.186 4.190 -1.571 1.00 71.53 O ATOM 0 H SER A -1 -7.224 3.380 -4.052 1.00 33.05 H new ATOM 0 HA SER A -1 -9.275 5.518 -4.140 1.00 3.25 H new ATOM 0 HB2 SER A -1 -7.260 5.956 -2.088 1.00 10.42 H new ATOM 0 HB3 SER A -1 -9.006 6.037 -1.969 1.00 10.42 H new ATOM 0 HG SER A -1 -7.267 3.946 -1.333 1.00 71.53 H new ATOM 21 N HIS A 0 -7.170 7.279 -4.376 1.00 32.32 N ATOM 22 CA HIS A 0 -6.324 8.171 -5.178 1.00 41.22 C ATOM 23 C HIS A 0 -5.894 9.412 -4.362 1.00 45.03 C ATOM 24 O HIS A 0 -6.486 10.491 -4.487 1.00 3.13 O ATOM 25 CB HIS A 0 -7.077 8.552 -6.484 1.00 2.45 C ATOM 26 CG HIS A 0 -6.349 9.468 -7.447 1.00 13.02 C ATOM 27 ND1 HIS A 0 -6.979 10.504 -8.095 1.00 43.25 N ATOM 28 CD2 HIS A 0 -5.053 9.510 -7.851 1.00 60.25 C ATOM 29 CE1 HIS A 0 -6.109 11.147 -8.848 1.00 35.22 C ATOM 30 NE2 HIS A 0 -4.929 10.567 -8.716 1.00 55.51 N ATOM 0 H HIS A 0 -7.700 7.753 -3.645 1.00 32.32 H new ATOM 0 HA HIS A 0 -5.405 7.654 -5.453 1.00 41.22 H new ATOM 0 HB2 HIS A 0 -7.328 7.632 -7.013 1.00 2.45 H new ATOM 0 HB3 HIS A 0 -8.018 9.027 -6.208 1.00 2.45 H new ATOM 0 HD2 HIS A 0 -4.266 8.836 -7.547 1.00 60.25 H new ATOM 0 HE1 HIS A 0 -6.324 12.004 -9.469 1.00 35.22 H new ATOM 0 HE2 HIS A 0 -4.069 10.857 -9.180 1.00 55.51 H new ATOM 39 N MET A 1 -4.887 9.216 -3.498 1.00 0.24 N ATOM 40 CA MET A 1 -4.203 10.295 -2.756 1.00 73.43 C ATOM 41 C MET A 1 -2.807 9.824 -2.350 1.00 64.33 C ATOM 42 O MET A 1 -2.633 8.662 -1.996 1.00 25.33 O ATOM 43 CB MET A 1 -4.970 10.707 -1.486 1.00 65.33 C ATOM 44 CG MET A 1 -5.913 11.881 -1.673 1.00 71.12 C ATOM 45 SD MET A 1 -6.878 12.244 -0.194 1.00 71.50 S ATOM 46 CE MET A 1 -7.917 13.574 -0.788 1.00 31.01 C ATOM 0 H MET A 1 -4.516 8.289 -3.289 1.00 0.24 H new ATOM 0 HA MET A 1 -4.150 11.161 -3.416 1.00 73.43 H new ATOM 0 HB2 MET A 1 -5.542 9.851 -1.129 1.00 65.33 H new ATOM 0 HB3 MET A 1 -4.250 10.956 -0.707 1.00 65.33 H new ATOM 0 HG2 MET A 1 -5.337 12.763 -1.951 1.00 71.12 H new ATOM 0 HG3 MET A 1 -6.590 11.669 -2.500 1.00 71.12 H new ATOM 0 HE1 MET A 1 -8.574 13.909 0.015 1.00 31.01 H new ATOM 0 HE2 MET A 1 -7.292 14.405 -1.116 1.00 31.01 H new ATOM 0 HE3 MET A 1 -8.519 13.220 -1.625 1.00 31.01 H new ATOM 56 N VAL A 2 -1.797 10.701 -2.453 1.00 75.04 N ATOM 57 CA VAL A 2 -0.433 10.393 -1.964 1.00 12.52 C ATOM 58 C VAL A 2 0.050 11.557 -1.059 1.00 2.25 C ATOM 59 O VAL A 2 1.131 12.123 -1.233 1.00 30.44 O ATOM 60 CB VAL A 2 0.603 10.133 -3.129 1.00 3.11 C ATOM 61 CG1 VAL A 2 1.878 9.453 -2.613 1.00 33.00 C ATOM 62 CG2 VAL A 2 0.023 9.281 -4.242 1.00 72.41 C ATOM 0 H VAL A 2 -1.892 11.628 -2.868 1.00 75.04 H new ATOM 0 HA VAL A 2 -0.487 9.463 -1.397 1.00 12.52 H new ATOM 0 HB VAL A 2 0.846 11.118 -3.527 1.00 3.11 H new ATOM 0 HG11 VAL A 2 2.565 9.291 -3.443 1.00 33.00 H new ATOM 0 HG12 VAL A 2 2.354 10.090 -1.867 1.00 33.00 H new ATOM 0 HG13 VAL A 2 1.622 8.494 -2.162 1.00 33.00 H new ATOM 0 HG21 VAL A 2 0.775 9.133 -5.017 1.00 72.41 H new ATOM 0 HG22 VAL A 2 -0.279 8.314 -3.840 1.00 72.41 H new ATOM 0 HG23 VAL A 2 -0.844 9.783 -4.670 1.00 72.41 H new ATOM 72 N ILE A 3 -0.797 11.951 -0.100 1.00 42.15 N ATOM 73 CA ILE A 3 -0.433 13.017 0.857 1.00 41.00 C ATOM 74 C ILE A 3 -0.634 12.497 2.297 1.00 41.15 C ATOM 75 O ILE A 3 -1.532 12.951 3.014 1.00 41.00 O ATOM 76 CB ILE A 3 -1.233 14.369 0.624 1.00 73.04 C ATOM 77 CG1 ILE A 3 -1.275 14.729 -0.882 1.00 40.21 C ATOM 78 CG2 ILE A 3 -0.609 15.553 1.420 1.00 20.11 C ATOM 79 CD1 ILE A 3 -2.160 15.916 -1.228 1.00 61.33 C ATOM 0 H ILE A 3 -1.728 11.557 0.038 1.00 42.15 H new ATOM 0 HA ILE A 3 0.616 13.263 0.692 1.00 41.00 H new ATOM 0 HB ILE A 3 -2.248 14.205 0.987 1.00 73.04 H new ATOM 0 HG12 ILE A 3 -0.260 14.939 -1.220 1.00 40.21 H new ATOM 0 HG13 ILE A 3 -1.623 13.859 -1.440 1.00 40.21 H new ATOM 0 HG21 ILE A 3 -1.185 16.460 1.234 1.00 20.11 H new ATOM 0 HG22 ILE A 3 -0.626 15.324 2.486 1.00 20.11 H new ATOM 0 HG23 ILE A 3 0.421 15.705 1.098 1.00 20.11 H new ATOM 0 HD11 ILE A 3 -2.127 16.093 -2.303 1.00 61.33 H new ATOM 0 HD12 ILE A 3 -3.186 15.705 -0.926 1.00 61.33 H new ATOM 0 HD13 ILE A 3 -1.802 16.802 -0.703 1.00 61.33 H new ATOM 91 N ARG A 4 0.153 11.456 2.671 1.00 32.23 N ATOM 92 CA ARG A 4 0.223 10.967 4.063 1.00 5.33 C ATOM 93 C ARG A 4 1.427 9.996 4.210 1.00 44.02 C ATOM 94 O ARG A 4 2.309 9.978 3.345 1.00 55.50 O ATOM 95 CB ARG A 4 -1.097 10.278 4.499 1.00 33.45 C ATOM 96 CG ARG A 4 -1.403 10.476 5.985 1.00 32.22 C ATOM 97 CD ARG A 4 -2.415 9.474 6.520 1.00 52.43 C ATOM 98 NE ARG A 4 -2.263 9.317 7.966 1.00 31.55 N ATOM 99 CZ ARG A 4 -2.948 8.454 8.728 1.00 74.40 C ATOM 100 NH1 ARG A 4 -3.876 7.650 8.204 1.00 2.24 N ATOM 101 NH2 ARG A 4 -2.683 8.389 10.025 1.00 44.33 N ATOM 0 H ARG A 4 0.748 10.941 2.022 1.00 32.23 H new ATOM 0 HA ARG A 4 0.366 11.824 4.721 1.00 5.33 H new ATOM 0 HB2 ARG A 4 -1.922 10.674 3.906 1.00 33.45 H new ATOM 0 HB3 ARG A 4 -1.034 9.211 4.284 1.00 33.45 H new ATOM 0 HG2 ARG A 4 -0.478 10.391 6.556 1.00 32.22 H new ATOM 0 HG3 ARG A 4 -1.782 11.486 6.141 1.00 32.22 H new ATOM 0 HD2 ARG A 4 -3.426 9.810 6.289 1.00 52.43 H new ATOM 0 HD3 ARG A 4 -2.278 8.511 6.027 1.00 52.43 H new ATOM 0 HE ARG A 4 -1.580 9.913 8.433 1.00 31.55 H new ATOM 0 HH11 ARG A 4 -4.076 7.685 7.204 1.00 2.24 H new ATOM 0 HH12 ARG A 4 -4.385 7.001 8.803 1.00 2.24 H new ATOM 0 HH21 ARG A 4 -1.966 8.991 10.430 1.00 44.33 H new ATOM 0 HH22 ARG A 4 -3.196 7.737 10.618 1.00 44.33 H new ATOM 115 N GLU A 5 1.413 9.159 5.264 1.00 62.44 N ATOM 116 CA GLU A 5 2.553 8.320 5.666 1.00 33.40 C ATOM 117 C GLU A 5 2.035 7.269 6.680 1.00 61.33 C ATOM 118 O GLU A 5 1.284 7.646 7.587 1.00 73.41 O ATOM 119 CB GLU A 5 3.688 9.194 6.295 1.00 52.23 C ATOM 120 CG GLU A 5 4.843 8.406 6.961 1.00 11.41 C ATOM 121 CD GLU A 5 5.517 9.177 8.091 1.00 1.41 C ATOM 122 OE1 GLU A 5 5.148 10.352 8.338 1.00 14.03 O ATOM 123 OE2 GLU A 5 6.401 8.600 8.751 1.00 51.42 O ATOM 0 H GLU A 5 0.598 9.046 5.867 1.00 62.44 H new ATOM 0 HA GLU A 5 2.979 7.820 4.796 1.00 33.40 H new ATOM 0 HB2 GLU A 5 4.107 9.830 5.516 1.00 52.23 H new ATOM 0 HB3 GLU A 5 3.244 9.854 7.040 1.00 52.23 H new ATOM 0 HG2 GLU A 5 4.456 7.465 7.351 1.00 11.41 H new ATOM 0 HG3 GLU A 5 5.587 8.155 6.205 1.00 11.41 H new ATOM 130 N SER A 6 2.412 5.966 6.515 1.00 31.20 N ATOM 131 CA SER A 6 1.946 4.878 7.410 1.00 13.45 C ATOM 132 C SER A 6 2.768 3.582 7.117 1.00 30.31 C ATOM 133 O SER A 6 3.800 3.655 6.447 1.00 71.22 O ATOM 134 CB SER A 6 0.421 4.613 7.223 1.00 32.40 C ATOM 135 OG SER A 6 -0.139 3.961 8.357 1.00 3.34 O ATOM 0 H SER A 6 3.035 5.651 5.771 1.00 31.20 H new ATOM 0 HA SER A 6 2.103 5.181 8.445 1.00 13.45 H new ATOM 0 HB2 SER A 6 -0.095 5.558 7.054 1.00 32.40 H new ATOM 0 HB3 SER A 6 0.263 4.000 6.335 1.00 32.40 H new ATOM 0 HG SER A 6 -1.096 3.811 8.209 1.00 3.34 H new ATOM 141 N VAL A 7 2.296 2.404 7.595 1.00 55.21 N ATOM 142 CA VAL A 7 2.877 1.100 7.217 1.00 14.01 C ATOM 143 C VAL A 7 1.756 0.183 6.791 1.00 21.45 C ATOM 144 O VAL A 7 0.748 0.036 7.491 1.00 74.32 O ATOM 145 CB VAL A 7 3.743 0.315 8.293 1.00 34.04 C ATOM 146 CG1 VAL A 7 5.224 0.428 7.961 1.00 40.24 C ATOM 147 CG2 VAL A 7 3.499 0.697 9.765 1.00 54.43 C ATOM 0 H VAL A 7 1.512 2.335 8.244 1.00 55.21 H new ATOM 0 HA VAL A 7 3.588 1.363 6.434 1.00 14.01 H new ATOM 0 HB VAL A 7 3.402 -0.717 8.217 1.00 34.04 H new ATOM 0 HG11 VAL A 7 5.806 -0.114 8.706 1.00 40.24 H new ATOM 0 HG12 VAL A 7 5.409 0.002 6.975 1.00 40.24 H new ATOM 0 HG13 VAL A 7 5.518 1.477 7.964 1.00 40.24 H new ATOM 0 HG21 VAL A 7 4.144 0.098 10.408 1.00 54.43 H new ATOM 0 HG22 VAL A 7 3.724 1.754 9.909 1.00 54.43 H new ATOM 0 HG23 VAL A 7 2.456 0.510 10.021 1.00 54.43 H new ATOM 157 N SER A 8 1.922 -0.380 5.616 1.00 20.51 N ATOM 158 CA SER A 8 1.017 -1.379 5.112 1.00 21.34 C ATOM 159 C SER A 8 1.440 -2.750 5.695 1.00 0.41 C ATOM 160 O SER A 8 2.625 -3.082 5.673 1.00 74.31 O ATOM 161 CB SER A 8 1.061 -1.317 3.572 1.00 54.15 C ATOM 162 OG SER A 8 1.914 -2.290 2.986 1.00 63.31 O ATOM 0 H SER A 8 2.691 -0.156 4.984 1.00 20.51 H new ATOM 0 HA SER A 8 -0.017 -1.211 5.414 1.00 21.34 H new ATOM 0 HB2 SER A 8 0.052 -1.450 3.183 1.00 54.15 H new ATOM 0 HB3 SER A 8 1.392 -0.325 3.266 1.00 54.15 H new ATOM 0 HG SER A 8 1.374 -3.026 2.630 1.00 63.31 H new ATOM 168 N ARG A 9 0.510 -3.524 6.274 1.00 32.34 N ATOM 169 CA ARG A 9 0.909 -4.813 6.888 1.00 53.43 C ATOM 170 C ARG A 9 0.182 -5.953 6.172 1.00 13.51 C ATOM 171 O ARG A 9 -0.878 -5.705 5.613 1.00 71.23 O ATOM 172 CB ARG A 9 0.640 -4.900 8.419 1.00 10.03 C ATOM 173 CG ARG A 9 1.266 -3.766 9.246 1.00 63.02 C ATOM 174 CD ARG A 9 0.293 -2.623 9.532 1.00 0.33 C ATOM 175 NE ARG A 9 -0.848 -3.060 10.339 1.00 51.03 N ATOM 176 CZ ARG A 9 -2.080 -2.546 10.252 1.00 11.55 C ATOM 177 NH1 ARG A 9 -2.359 -1.563 9.394 1.00 24.02 N ATOM 178 NH2 ARG A 9 -3.042 -3.015 11.046 1.00 43.30 N ATOM 0 H ARG A 9 -0.483 -3.300 6.334 1.00 32.34 H new ATOM 0 HA ARG A 9 1.989 -4.894 6.769 1.00 53.43 H new ATOM 0 HB2 ARG A 9 -0.437 -4.901 8.585 1.00 10.03 H new ATOM 0 HB3 ARG A 9 1.020 -5.853 8.787 1.00 10.03 H new ATOM 0 HG2 ARG A 9 1.628 -4.171 10.191 1.00 63.02 H new ATOM 0 HG3 ARG A 9 2.133 -3.373 8.714 1.00 63.02 H new ATOM 0 HD2 ARG A 9 0.818 -1.822 10.052 1.00 0.33 H new ATOM 0 HD3 ARG A 9 -0.067 -2.210 8.590 1.00 0.33 H new ATOM 0 HE ARG A 9 -0.693 -3.808 11.014 1.00 51.03 H new ATOM 0 HH11 ARG A 9 -1.627 -1.190 8.790 1.00 24.02 H new ATOM 0 HH12 ARG A 9 -3.305 -1.184 9.342 1.00 24.02 H new ATOM 0 HH21 ARG A 9 -2.836 -3.759 11.712 1.00 43.30 H new ATOM 0 HH22 ARG A 9 -3.985 -2.630 10.987 1.00 43.30 H new ATOM 192 N ILE A 10 0.734 -7.192 6.143 1.00 42.44 N ATOM 193 CA ILE A 10 0.068 -8.304 5.440 1.00 25.23 C ATOM 194 C ILE A 10 0.185 -9.559 6.308 1.00 3.21 C ATOM 195 O ILE A 10 1.279 -9.822 6.883 1.00 43.33 O ATOM 196 CB ILE A 10 0.648 -8.640 3.990 1.00 70.42 C ATOM 197 CG1 ILE A 10 0.726 -7.457 2.997 1.00 2.54 C ATOM 198 CG2 ILE A 10 -0.143 -9.763 3.297 1.00 20.45 C ATOM 199 CD1 ILE A 10 1.962 -6.588 3.103 1.00 34.42 C ATOM 0 H ILE A 10 1.618 -7.438 6.589 1.00 42.44 H new ATOM 0 HA ILE A 10 -0.962 -7.985 5.283 1.00 25.23 H new ATOM 0 HB ILE A 10 1.670 -8.943 4.218 1.00 70.42 H new ATOM 0 HG12 ILE A 10 0.670 -7.854 1.983 1.00 2.54 H new ATOM 0 HG13 ILE A 10 -0.152 -6.827 3.142 1.00 2.54 H new ATOM 0 HG21 ILE A 10 0.287 -9.958 2.314 1.00 20.45 H new ATOM 0 HG22 ILE A 10 -0.093 -10.669 3.901 1.00 20.45 H new ATOM 0 HG23 ILE A 10 -1.184 -9.459 3.184 1.00 20.45 H new ATOM 0 HD11 ILE A 10 1.911 -5.791 2.361 1.00 34.42 H new ATOM 0 HD12 ILE A 10 2.016 -6.152 4.101 1.00 34.42 H new ATOM 0 HD13 ILE A 10 2.850 -7.195 2.924 1.00 34.42 H new ATOM 211 N TYR A 11 -0.962 -10.277 6.422 1.00 44.25 N ATOM 212 CA TYR A 11 -1.051 -11.543 7.177 1.00 61.45 C ATOM 213 C TYR A 11 -1.125 -12.764 6.192 1.00 2.10 C ATOM 214 O TYR A 11 -2.124 -12.881 5.453 1.00 14.24 O ATOM 215 CB TYR A 11 -2.327 -11.488 8.047 1.00 14.43 C ATOM 216 CG TYR A 11 -2.260 -12.324 9.308 1.00 31.41 C ATOM 217 CD1 TYR A 11 -2.600 -13.675 9.313 1.00 52.01 C ATOM 218 CD2 TYR A 11 -1.862 -11.745 10.506 1.00 21.33 C ATOM 219 CE1 TYR A 11 -2.537 -14.417 10.476 1.00 51.42 C ATOM 220 CE2 TYR A 11 -1.799 -12.482 11.670 1.00 65.32 C ATOM 221 CZ TYR A 11 -2.139 -13.817 11.650 1.00 40.55 C ATOM 222 OH TYR A 11 -2.063 -14.568 12.804 1.00 1.34 O ATOM 0 H TYR A 11 -1.843 -9.992 5.994 1.00 44.25 H new ATOM 0 HA TYR A 11 -0.167 -11.669 7.803 1.00 61.45 H new ATOM 0 HB2 TYR A 11 -2.520 -10.451 8.323 1.00 14.43 H new ATOM 0 HB3 TYR A 11 -3.175 -11.822 7.449 1.00 14.43 H new ATOM 0 HD1 TYR A 11 -2.917 -14.148 8.395 1.00 52.01 H new ATOM 0 HD2 TYR A 11 -1.597 -10.698 10.526 1.00 21.33 H new ATOM 0 HE1 TYR A 11 -2.799 -15.465 10.465 1.00 51.42 H new ATOM 0 HE2 TYR A 11 -1.485 -12.015 12.592 1.00 65.32 H new ATOM 0 HH TYR A 11 -1.766 -14.000 13.545 1.00 1.34 H new ATOM 232 N VAL A 12 -0.112 -13.684 6.154 1.00 75.23 N ATOM 233 CA VAL A 12 -0.216 -14.850 5.249 1.00 55.34 C ATOM 234 C VAL A 12 -0.066 -16.139 6.104 1.00 4.41 C ATOM 235 O VAL A 12 1.015 -16.460 6.566 1.00 3.03 O ATOM 236 CB VAL A 12 0.825 -14.751 4.002 1.00 21.45 C ATOM 237 CG1 VAL A 12 2.217 -14.342 4.447 1.00 74.22 C ATOM 238 CG2 VAL A 12 0.954 -16.042 3.157 1.00 11.11 C ATOM 0 H VAL A 12 0.740 -13.639 6.713 1.00 75.23 H new ATOM 0 HA VAL A 12 -1.194 -14.874 4.769 1.00 55.34 H new ATOM 0 HB VAL A 12 0.381 -13.982 3.370 1.00 21.45 H new ATOM 0 HG11 VAL A 12 2.875 -14.290 3.580 1.00 74.22 H new ATOM 0 HG12 VAL A 12 2.173 -13.365 4.929 1.00 74.22 H new ATOM 0 HG13 VAL A 12 2.604 -15.077 5.153 1.00 74.22 H new ATOM 0 HG21 VAL A 12 1.669 -15.879 2.351 1.00 11.11 H new ATOM 0 HG22 VAL A 12 1.301 -16.858 3.790 1.00 11.11 H new ATOM 0 HG23 VAL A 12 -0.017 -16.299 2.734 1.00 11.11 H new ATOM 248 N GLY A 13 -1.180 -16.848 6.367 1.00 21.34 N ATOM 249 CA GLY A 13 -1.111 -18.059 7.195 1.00 11.43 C ATOM 250 C GLY A 13 -1.612 -19.291 6.472 1.00 14.21 C ATOM 251 O GLY A 13 -2.047 -19.178 5.339 1.00 21.54 O ATOM 0 H GLY A 13 -2.112 -16.610 6.028 1.00 21.34 H new ATOM 0 HA2 GLY A 13 -0.080 -18.221 7.509 1.00 11.43 H new ATOM 0 HA3 GLY A 13 -1.700 -17.909 8.100 1.00 11.43 H new ATOM 255 N ASN A 14 -1.534 -20.476 7.138 1.00 62.14 N ATOM 256 CA ASN A 14 -1.967 -21.783 6.553 1.00 52.21 C ATOM 257 C ASN A 14 -1.379 -22.095 5.138 1.00 43.44 C ATOM 258 O ASN A 14 -1.936 -22.906 4.417 1.00 33.23 O ATOM 259 CB ASN A 14 -3.516 -21.842 6.516 1.00 34.53 C ATOM 260 CG ASN A 14 -4.158 -21.596 7.876 1.00 51.32 C ATOM 261 OD1 ASN A 14 -4.563 -20.483 8.191 1.00 40.34 O ATOM 262 ND2 ASN A 14 -4.233 -22.631 8.694 1.00 22.02 N ATOM 0 H ASN A 14 -1.173 -20.556 8.088 1.00 62.14 H new ATOM 0 HA ASN A 14 -1.562 -22.556 7.206 1.00 52.21 H new ATOM 0 HB2 ASN A 14 -3.885 -21.100 5.808 1.00 34.53 H new ATOM 0 HB3 ASN A 14 -3.827 -22.819 6.146 1.00 34.53 H new ATOM 0 HD21 ASN A 14 -4.639 -22.518 9.623 1.00 22.02 H new ATOM 0 HD22 ASN A 14 -3.885 -23.543 8.396 1.00 22.02 H new ATOM 269 N LEU A 15 -0.228 -21.498 4.797 1.00 41.24 N ATOM 270 CA LEU A 15 0.421 -21.667 3.503 1.00 13.21 C ATOM 271 C LEU A 15 1.199 -22.997 3.456 1.00 35.52 C ATOM 272 O LEU A 15 2.048 -23.258 4.311 1.00 10.41 O ATOM 273 CB LEU A 15 1.361 -20.449 3.180 1.00 70.10 C ATOM 274 CG LEU A 15 2.560 -20.150 4.134 1.00 14.45 C ATOM 275 CD1 LEU A 15 3.623 -19.303 3.453 1.00 44.22 C ATOM 276 CD2 LEU A 15 2.138 -19.420 5.391 1.00 42.21 C ATOM 0 H LEU A 15 0.280 -20.877 5.426 1.00 41.24 H new ATOM 0 HA LEU A 15 -0.353 -21.700 2.736 1.00 13.21 H new ATOM 0 HB2 LEU A 15 1.766 -20.601 2.179 1.00 70.10 H new ATOM 0 HB3 LEU A 15 0.740 -19.554 3.140 1.00 70.10 H new ATOM 0 HG LEU A 15 2.961 -21.129 4.398 1.00 14.45 H new ATOM 0 HD11 LEU A 15 4.441 -19.116 4.149 1.00 44.22 H new ATOM 0 HD12 LEU A 15 4.004 -19.831 2.579 1.00 44.22 H new ATOM 0 HD13 LEU A 15 3.187 -18.353 3.142 1.00 44.22 H new ATOM 0 HD21 LEU A 15 3.012 -19.238 6.017 1.00 42.21 H new ATOM 0 HD22 LEU A 15 1.680 -18.468 5.122 1.00 42.21 H new ATOM 0 HD23 LEU A 15 1.418 -20.027 5.940 1.00 42.21 H new ATOM 288 N PRO A 16 0.901 -23.882 2.471 1.00 0.01 N ATOM 289 CA PRO A 16 1.702 -25.089 2.274 1.00 63.42 C ATOM 290 C PRO A 16 2.893 -24.852 1.297 1.00 13.42 C ATOM 291 O PRO A 16 2.646 -24.543 0.114 1.00 21.21 O ATOM 292 CB PRO A 16 0.684 -26.061 1.650 1.00 42.41 C ATOM 293 CG PRO A 16 -0.377 -25.218 0.999 1.00 73.11 C ATOM 294 CD PRO A 16 -0.266 -23.821 1.566 1.00 33.43 C ATOM 0 HA PRO A 16 2.160 -25.445 3.197 1.00 63.42 H new ATOM 0 HB2 PRO A 16 1.166 -26.709 0.918 1.00 42.41 H new ATOM 0 HB3 PRO A 16 0.250 -26.708 2.412 1.00 42.41 H new ATOM 0 HG2 PRO A 16 -0.244 -25.203 -0.083 1.00 73.11 H new ATOM 0 HG3 PRO A 16 -1.367 -25.632 1.193 1.00 73.11 H new ATOM 0 HD2 PRO A 16 -0.119 -23.083 0.778 1.00 33.43 H new ATOM 0 HD3 PRO A 16 -1.171 -23.537 2.103 1.00 33.43 H new ATOM 302 N SER A 17 4.167 -25.065 1.780 1.00 40.35 N ATOM 303 CA SER A 17 5.425 -24.923 0.978 1.00 12.54 C ATOM 304 C SER A 17 5.415 -23.725 -0.005 1.00 14.12 C ATOM 305 O SER A 17 5.872 -23.844 -1.144 1.00 21.54 O ATOM 306 CB SER A 17 5.703 -26.229 0.211 1.00 35.23 C ATOM 307 OG SER A 17 5.851 -27.331 1.100 1.00 42.20 O ATOM 0 H SER A 17 4.343 -25.342 2.746 1.00 40.35 H new ATOM 0 HA SER A 17 6.222 -24.720 1.693 1.00 12.54 H new ATOM 0 HB2 SER A 17 4.886 -26.426 -0.483 1.00 35.23 H new ATOM 0 HB3 SER A 17 6.608 -26.117 -0.386 1.00 35.23 H new ATOM 0 HG SER A 17 6.025 -28.146 0.584 1.00 42.20 H new ATOM 313 N HIS A 18 4.930 -22.567 0.456 1.00 61.35 N ATOM 314 CA HIS A 18 4.609 -21.469 -0.455 1.00 61.50 C ATOM 315 C HIS A 18 5.790 -20.484 -0.556 1.00 53.10 C ATOM 316 O HIS A 18 6.684 -20.696 -1.370 1.00 54.11 O ATOM 317 CB HIS A 18 3.293 -20.796 -0.006 1.00 74.54 C ATOM 318 CG HIS A 18 2.489 -20.095 -1.080 1.00 71.40 C ATOM 319 ND1 HIS A 18 1.199 -19.642 -0.869 1.00 51.50 N ATOM 320 CD2 HIS A 18 2.792 -19.753 -2.351 1.00 74.12 C ATOM 321 CE1 HIS A 18 0.748 -19.071 -1.974 1.00 31.03 C ATOM 322 NE2 HIS A 18 1.695 -19.119 -2.889 1.00 2.21 N ATOM 0 H HIS A 18 4.754 -22.369 1.441 1.00 61.35 H new ATOM 0 HA HIS A 18 4.450 -21.854 -1.462 1.00 61.50 H new ATOM 0 HB2 HIS A 18 2.660 -21.557 0.451 1.00 74.54 H new ATOM 0 HB3 HIS A 18 3.530 -20.069 0.771 1.00 74.54 H new ATOM 0 HD2 HIS A 18 3.728 -19.943 -2.855 1.00 74.12 H new ATOM 0 HE1 HIS A 18 -0.233 -18.638 -2.104 1.00 31.03 H new ATOM 0 HE2 HIS A 18 1.627 -18.749 -3.837 1.00 2.21 H new ATOM 331 N VAL A 19 5.808 -19.420 0.254 1.00 24.33 N ATOM 332 CA VAL A 19 6.909 -18.456 0.182 1.00 12.23 C ATOM 333 C VAL A 19 7.913 -18.684 1.402 1.00 14.42 C ATOM 334 O VAL A 19 7.474 -18.628 2.551 1.00 62.23 O ATOM 335 CB VAL A 19 6.307 -16.967 0.049 1.00 60.44 C ATOM 336 CG1 VAL A 19 5.356 -16.843 -1.161 1.00 75.44 C ATOM 337 CG2 VAL A 19 5.539 -16.496 1.297 1.00 0.32 C ATOM 0 H VAL A 19 5.093 -19.208 0.949 1.00 24.33 H new ATOM 0 HA VAL A 19 7.515 -18.607 -0.711 1.00 12.23 H new ATOM 0 HB VAL A 19 7.183 -16.332 -0.081 1.00 60.44 H new ATOM 0 HG11 VAL A 19 4.970 -15.825 -1.218 1.00 75.44 H new ATOM 0 HG12 VAL A 19 5.900 -17.077 -2.076 1.00 75.44 H new ATOM 0 HG13 VAL A 19 4.526 -17.540 -1.044 1.00 75.44 H new ATOM 0 HG21 VAL A 19 5.163 -15.486 1.133 1.00 0.32 H new ATOM 0 HG22 VAL A 19 4.702 -17.168 1.484 1.00 0.32 H new ATOM 0 HG23 VAL A 19 6.207 -16.500 2.158 1.00 0.32 H new ATOM 347 N SER A 20 9.245 -19.020 1.178 1.00 32.10 N ATOM 348 CA SER A 20 10.251 -19.060 2.295 1.00 10.21 C ATOM 349 C SER A 20 10.771 -17.631 2.597 1.00 3.15 C ATOM 350 O SER A 20 10.697 -16.778 1.717 1.00 3.44 O ATOM 351 CB SER A 20 11.412 -20.048 1.913 1.00 42.13 C ATOM 352 OG SER A 20 11.140 -20.688 0.669 1.00 43.33 O ATOM 0 H SER A 20 9.625 -19.258 0.262 1.00 32.10 H new ATOM 0 HA SER A 20 9.783 -19.429 3.208 1.00 10.21 H new ATOM 0 HB2 SER A 20 12.354 -19.503 1.849 1.00 42.13 H new ATOM 0 HB3 SER A 20 11.530 -20.798 2.695 1.00 42.13 H new ATOM 0 HG SER A 20 11.381 -20.088 -0.067 1.00 43.33 H new ATOM 358 N SER A 21 11.261 -17.376 3.852 1.00 13.33 N ATOM 359 CA SER A 21 11.670 -16.032 4.335 1.00 0.32 C ATOM 360 C SER A 21 12.596 -15.231 3.378 1.00 53.02 C ATOM 361 O SER A 21 12.353 -14.028 3.141 1.00 54.05 O ATOM 362 CB SER A 21 12.372 -16.199 5.675 1.00 33.44 C ATOM 363 OG SER A 21 12.556 -14.952 6.324 1.00 64.21 O ATOM 0 H SER A 21 11.380 -18.107 4.553 1.00 13.33 H new ATOM 0 HA SER A 21 10.753 -15.447 4.406 1.00 0.32 H new ATOM 0 HB2 SER A 21 11.786 -16.860 6.314 1.00 33.44 H new ATOM 0 HB3 SER A 21 13.339 -16.678 5.523 1.00 33.44 H new ATOM 0 HG SER A 21 13.008 -15.093 7.182 1.00 64.21 H new ATOM 369 N ARG A 22 13.668 -15.876 2.882 1.00 71.32 N ATOM 370 CA ARG A 22 14.576 -15.236 1.898 1.00 14.32 C ATOM 371 C ARG A 22 13.860 -14.756 0.571 1.00 2.32 C ATOM 372 O ARG A 22 14.128 -13.618 0.090 1.00 32.13 O ATOM 373 CB ARG A 22 15.882 -16.106 1.694 1.00 22.10 C ATOM 374 CG ARG A 22 16.538 -16.152 0.306 1.00 73.31 C ATOM 375 CD ARG A 22 15.899 -17.161 -0.651 1.00 41.41 C ATOM 376 NE ARG A 22 16.914 -17.960 -1.361 1.00 33.33 N ATOM 377 CZ ARG A 22 17.776 -17.495 -2.293 1.00 63.23 C ATOM 378 NH1 ARG A 22 17.762 -16.209 -2.668 1.00 21.33 N ATOM 379 NH2 ARG A 22 18.666 -18.330 -2.823 1.00 14.02 N ATOM 0 H ARG A 22 13.929 -16.828 3.139 1.00 71.32 H new ATOM 0 HA ARG A 22 14.910 -14.290 2.323 1.00 14.32 H new ATOM 0 HB2 ARG A 22 16.631 -15.746 2.400 1.00 22.10 H new ATOM 0 HB3 ARG A 22 15.642 -17.131 1.979 1.00 22.10 H new ATOM 0 HG2 ARG A 22 16.487 -15.159 -0.142 1.00 73.31 H new ATOM 0 HG3 ARG A 22 17.594 -16.395 0.422 1.00 73.31 H new ATOM 0 HD2 ARG A 22 15.239 -17.825 -0.092 1.00 41.41 H new ATOM 0 HD3 ARG A 22 15.280 -16.633 -1.376 1.00 41.41 H new ATOM 0 HE ARG A 22 16.971 -18.952 -1.129 1.00 33.33 H new ATOM 0 HH11 ARG A 22 17.093 -15.563 -2.249 1.00 21.33 H new ATOM 0 HH12 ARG A 22 18.420 -15.876 -3.373 1.00 21.33 H new ATOM 0 HH21 ARG A 22 18.691 -19.305 -2.525 1.00 14.02 H new ATOM 0 HH22 ARG A 22 19.323 -17.995 -3.527 1.00 14.02 H new ATOM 393 N ASP A 23 12.952 -15.594 -0.006 1.00 32.14 N ATOM 394 CA ASP A 23 12.130 -15.200 -1.167 1.00 72.23 C ATOM 395 C ASP A 23 11.129 -14.097 -0.791 1.00 0.14 C ATOM 396 O ASP A 23 10.812 -13.291 -1.674 1.00 33.32 O ATOM 397 CB ASP A 23 11.396 -16.400 -1.843 1.00 52.23 C ATOM 398 CG ASP A 23 12.250 -17.651 -1.855 1.00 31.12 C ATOM 399 OD1 ASP A 23 13.078 -17.800 -2.777 1.00 54.43 O ATOM 400 OD2 ASP A 23 12.095 -18.483 -0.944 1.00 72.21 O ATOM 0 H ASP A 23 12.778 -16.544 0.321 1.00 32.14 H new ATOM 0 HA ASP A 23 12.828 -14.807 -1.906 1.00 72.23 H new ATOM 0 HB2 ASP A 23 10.465 -16.601 -1.313 1.00 52.23 H new ATOM 0 HB3 ASP A 23 11.129 -16.133 -2.866 1.00 52.23 H new ATOM 405 N VAL A 24 10.617 -14.016 0.500 1.00 72.04 N ATOM 406 CA VAL A 24 9.817 -12.863 0.875 1.00 1.21 C ATOM 407 C VAL A 24 10.682 -11.608 0.883 1.00 24.12 C ATOM 408 O VAL A 24 10.213 -10.619 0.352 1.00 42.41 O ATOM 409 CB VAL A 24 9.023 -12.954 2.244 1.00 44.10 C ATOM 410 CG1 VAL A 24 7.797 -12.097 2.231 1.00 22.05 C ATOM 411 CG2 VAL A 24 8.607 -14.349 2.707 1.00 33.45 C ATOM 0 H VAL A 24 10.755 -14.713 1.232 1.00 72.04 H new ATOM 0 HA VAL A 24 9.042 -12.828 0.109 1.00 1.21 H new ATOM 0 HB VAL A 24 9.765 -12.599 2.959 1.00 44.10 H new ATOM 0 HG11 VAL A 24 7.280 -12.187 3.187 1.00 22.05 H new ATOM 0 HG12 VAL A 24 8.081 -11.057 2.068 1.00 22.05 H new ATOM 0 HG13 VAL A 24 7.135 -12.422 1.429 1.00 22.05 H new ATOM 0 HG21 VAL A 24 8.073 -14.274 3.654 1.00 33.45 H new ATOM 0 HG22 VAL A 24 7.957 -14.802 1.959 1.00 33.45 H new ATOM 0 HG23 VAL A 24 9.494 -14.968 2.839 1.00 33.45 H new ATOM 421 N GLU A 25 11.937 -11.611 1.419 1.00 13.03 N ATOM 422 CA GLU A 25 12.725 -10.390 1.326 1.00 21.51 C ATOM 423 C GLU A 25 12.977 -9.988 -0.150 1.00 1.44 C ATOM 424 O GLU A 25 12.540 -8.914 -0.506 1.00 71.04 O ATOM 425 CB GLU A 25 14.052 -10.434 2.119 1.00 23.30 C ATOM 426 CG GLU A 25 14.437 -9.097 2.762 1.00 54.52 C ATOM 427 CD GLU A 25 15.889 -9.043 3.190 1.00 1.42 C ATOM 428 OE1 GLU A 25 16.784 -9.169 2.322 1.00 12.33 O ATOM 429 OE2 GLU A 25 16.139 -8.861 4.396 1.00 32.11 O ATOM 0 H GLU A 25 12.384 -12.400 1.887 1.00 13.03 H new ATOM 0 HA GLU A 25 12.118 -9.620 1.802 1.00 21.51 H new ATOM 0 HB2 GLU A 25 13.973 -11.191 2.899 1.00 23.30 H new ATOM 0 HB3 GLU A 25 14.853 -10.748 1.450 1.00 23.30 H new ATOM 0 HG2 GLU A 25 14.242 -8.291 2.055 1.00 54.52 H new ATOM 0 HG3 GLU A 25 13.801 -8.921 3.630 1.00 54.52 H new ATOM 436 N ASN A 26 13.550 -10.860 -1.034 1.00 64.52 N ATOM 437 CA ASN A 26 13.848 -10.385 -2.431 1.00 53.25 C ATOM 438 C ASN A 26 12.543 -10.194 -3.305 1.00 50.12 C ATOM 439 O ASN A 26 12.222 -9.027 -3.734 1.00 42.32 O ATOM 440 CB ASN A 26 14.869 -11.340 -3.170 1.00 74.23 C ATOM 441 CG ASN A 26 15.463 -10.779 -4.471 1.00 42.44 C ATOM 442 OD1 ASN A 26 14.892 -9.942 -5.169 1.00 54.51 O ATOM 443 ND2 ASN A 26 16.639 -11.274 -4.816 1.00 23.52 N ATOM 0 H ASN A 26 13.801 -11.828 -0.831 1.00 64.52 H new ATOM 0 HA ASN A 26 14.311 -9.405 -2.318 1.00 53.25 H new ATOM 0 HB2 ASN A 26 15.686 -11.571 -2.486 1.00 74.23 H new ATOM 0 HB3 ASN A 26 14.365 -12.280 -3.395 1.00 74.23 H new ATOM 0 HD21 ASN A 26 17.091 -10.963 -5.676 1.00 23.52 H new ATOM 0 HD22 ASN A 26 17.095 -11.967 -4.222 1.00 23.52 H new ATOM 450 N GLU A 27 11.727 -11.267 -3.512 1.00 52.33 N ATOM 451 CA GLU A 27 10.568 -11.135 -4.375 1.00 23.11 C ATOM 452 C GLU A 27 9.450 -10.274 -3.745 1.00 61.03 C ATOM 453 O GLU A 27 8.797 -9.564 -4.501 1.00 54.15 O ATOM 454 CB GLU A 27 10.076 -12.532 -4.888 1.00 2.51 C ATOM 455 CG GLU A 27 9.116 -12.534 -6.105 1.00 54.24 C ATOM 456 CD GLU A 27 9.021 -13.894 -6.774 1.00 35.44 C ATOM 457 OE1 GLU A 27 9.843 -14.168 -7.669 1.00 73.01 O ATOM 458 OE2 GLU A 27 8.108 -14.679 -6.432 1.00 31.03 O ATOM 0 H GLU A 27 11.861 -12.190 -3.100 1.00 52.33 H new ATOM 0 HA GLU A 27 10.880 -10.579 -5.259 1.00 23.11 H new ATOM 0 HB2 GLU A 27 10.952 -13.126 -5.146 1.00 2.51 H new ATOM 0 HB3 GLU A 27 9.578 -13.040 -4.062 1.00 2.51 H new ATOM 0 HG2 GLU A 27 8.123 -12.223 -5.780 1.00 54.24 H new ATOM 0 HG3 GLU A 27 9.458 -11.798 -6.833 1.00 54.24 H new ATOM 465 N PHE A 28 9.238 -10.233 -2.387 1.00 3.14 N ATOM 466 CA PHE A 28 8.207 -9.321 -1.883 1.00 23.40 C ATOM 467 C PHE A 28 8.719 -7.881 -1.728 1.00 33.02 C ATOM 468 O PHE A 28 7.902 -6.970 -1.801 1.00 33.34 O ATOM 469 CB PHE A 28 7.539 -9.794 -0.592 1.00 73.54 C ATOM 470 CG PHE A 28 6.226 -10.550 -0.741 1.00 31.10 C ATOM 471 CD1 PHE A 28 5.018 -9.860 -0.721 1.00 40.50 C ATOM 472 CD2 PHE A 28 6.191 -11.943 -0.830 1.00 51.03 C ATOM 473 CE1 PHE A 28 3.805 -10.524 -0.790 1.00 23.45 C ATOM 474 CE2 PHE A 28 4.971 -12.604 -0.918 1.00 35.14 C ATOM 475 CZ PHE A 28 3.782 -11.893 -0.898 1.00 14.22 C ATOM 0 H PHE A 28 9.735 -10.783 -1.687 1.00 3.14 H new ATOM 0 HA PHE A 28 7.438 -9.328 -2.655 1.00 23.40 H new ATOM 0 HB2 PHE A 28 8.242 -10.434 -0.059 1.00 73.54 H new ATOM 0 HB3 PHE A 28 7.361 -8.923 0.038 1.00 73.54 H new ATOM 0 HD1 PHE A 28 5.027 -8.782 -0.650 1.00 40.50 H new ATOM 0 HD2 PHE A 28 7.112 -12.507 -0.830 1.00 51.03 H new ATOM 0 HE1 PHE A 28 2.880 -9.967 -0.759 1.00 23.45 H new ATOM 0 HE2 PHE A 28 4.950 -13.680 -1.003 1.00 35.14 H new ATOM 0 HZ PHE A 28 2.839 -12.414 -0.967 1.00 14.22 H new ATOM 485 N ARG A 29 10.052 -7.649 -1.460 1.00 3.54 N ATOM 486 CA ARG A 29 10.630 -6.296 -1.727 1.00 62.20 C ATOM 487 C ARG A 29 10.418 -5.769 -3.177 1.00 21.01 C ATOM 488 O ARG A 29 10.340 -4.538 -3.297 1.00 65.41 O ATOM 489 CB ARG A 29 12.133 -6.105 -1.326 1.00 54.53 C ATOM 490 CG ARG A 29 13.135 -6.172 -2.493 1.00 4.44 C ATOM 491 CD ARG A 29 14.566 -5.945 -2.071 1.00 73.04 C ATOM 492 NE ARG A 29 15.412 -5.758 -3.248 1.00 52.51 N ATOM 493 CZ ARG A 29 16.486 -4.978 -3.274 1.00 33.02 C ATOM 494 NH1 ARG A 29 16.855 -4.318 -2.176 1.00 72.12 N ATOM 495 NH2 ARG A 29 17.172 -4.849 -4.398 1.00 52.12 N ATOM 0 H ARG A 29 10.703 -8.338 -1.084 1.00 3.54 H new ATOM 0 HA ARG A 29 10.033 -5.688 -1.047 1.00 62.20 H new ATOM 0 HB2 ARG A 29 12.241 -5.140 -0.830 1.00 54.53 H new ATOM 0 HB3 ARG A 29 12.398 -6.870 -0.596 1.00 54.53 H new ATOM 0 HG2 ARG A 29 13.056 -7.147 -2.973 1.00 4.44 H new ATOM 0 HG3 ARG A 29 12.862 -5.426 -3.239 1.00 4.44 H new ATOM 0 HD2 ARG A 29 14.629 -5.069 -1.425 1.00 73.04 H new ATOM 0 HD3 ARG A 29 14.921 -6.796 -1.489 1.00 73.04 H new ATOM 0 HE ARG A 29 15.162 -6.257 -4.102 1.00 52.51 H new ATOM 0 HH11 ARG A 29 16.312 -4.413 -1.317 1.00 72.12 H new ATOM 0 HH12 ARG A 29 17.680 -3.718 -2.194 1.00 72.12 H new ATOM 0 HH21 ARG A 29 16.875 -5.347 -5.237 1.00 52.12 H new ATOM 0 HH22 ARG A 29 17.998 -4.251 -4.426 1.00 52.12 H new ATOM 509 N LYS A 30 10.376 -6.619 -4.286 1.00 24.54 N ATOM 510 CA LYS A 30 9.875 -6.022 -5.589 1.00 64.21 C ATOM 511 C LYS A 30 8.494 -5.387 -5.425 1.00 3.20 C ATOM 512 O LYS A 30 8.314 -4.212 -5.764 1.00 14.33 O ATOM 513 CB LYS A 30 9.930 -7.050 -6.816 1.00 14.00 C ATOM 514 CG LYS A 30 8.658 -7.268 -7.733 1.00 4.22 C ATOM 515 CD LYS A 30 8.139 -6.009 -8.471 1.00 43.42 C ATOM 516 CE LYS A 30 6.608 -6.021 -8.643 1.00 3.10 C ATOM 517 NZ LYS A 30 6.151 -7.056 -9.601 1.00 62.10 N ATOM 0 H LYS A 30 10.649 -7.602 -4.307 1.00 24.54 H new ATOM 0 HA LYS A 30 10.570 -5.223 -5.846 1.00 64.21 H new ATOM 0 HB2 LYS A 30 10.746 -6.733 -7.466 1.00 14.00 H new ATOM 0 HB3 LYS A 30 10.205 -8.023 -6.410 1.00 14.00 H new ATOM 0 HG2 LYS A 30 8.894 -8.030 -8.475 1.00 4.22 H new ATOM 0 HG3 LYS A 30 7.851 -7.663 -7.116 1.00 4.22 H new ATOM 0 HD2 LYS A 30 8.433 -5.118 -7.916 1.00 43.42 H new ATOM 0 HD3 LYS A 30 8.612 -5.944 -9.451 1.00 43.42 H new ATOM 0 HE2 LYS A 30 6.138 -6.195 -7.675 1.00 3.10 H new ATOM 0 HE3 LYS A 30 6.277 -5.041 -8.987 1.00 3.10 H new ATOM 0 HZ1 LYS A 30 5.589 -6.609 -10.353 1.00 62.10 H new ATOM 0 HZ2 LYS A 30 6.977 -7.529 -10.021 1.00 62.10 H new ATOM 0 HZ3 LYS A 30 5.567 -7.757 -9.102 1.00 62.10 H new ATOM 531 N TYR A 31 7.570 -6.100 -4.807 1.00 65.21 N ATOM 532 CA TYR A 31 6.173 -5.680 -4.820 1.00 1.51 C ATOM 533 C TYR A 31 5.920 -4.496 -3.857 1.00 34.43 C ATOM 534 O TYR A 31 5.200 -3.592 -4.224 1.00 13.23 O ATOM 535 CB TYR A 31 5.216 -6.866 -4.533 1.00 65.35 C ATOM 536 CG TYR A 31 5.175 -8.010 -5.587 1.00 31.34 C ATOM 537 CD1 TYR A 31 4.360 -7.945 -6.732 1.00 43.43 C ATOM 538 CD2 TYR A 31 5.923 -9.180 -5.428 1.00 3.45 C ATOM 539 CE1 TYR A 31 4.334 -8.991 -7.662 1.00 34.11 C ATOM 540 CE2 TYR A 31 5.882 -10.211 -6.352 1.00 53.01 C ATOM 541 CZ TYR A 31 5.099 -10.104 -7.453 1.00 62.42 C ATOM 542 OH TYR A 31 5.107 -11.092 -8.379 1.00 24.22 O ATOM 0 H TYR A 31 7.754 -6.963 -4.295 1.00 65.21 H new ATOM 0 HA TYR A 31 5.955 -5.325 -5.827 1.00 1.51 H new ATOM 0 HB2 TYR A 31 5.493 -7.300 -3.572 1.00 65.35 H new ATOM 0 HB3 TYR A 31 4.207 -6.469 -4.424 1.00 65.35 H new ATOM 0 HD1 TYR A 31 3.744 -7.073 -6.896 1.00 43.43 H new ATOM 0 HD2 TYR A 31 6.553 -9.283 -4.557 1.00 3.45 H new ATOM 0 HE1 TYR A 31 3.712 -8.919 -8.542 1.00 34.11 H new ATOM 0 HE2 TYR A 31 6.474 -11.100 -6.195 1.00 53.01 H new ATOM 0 HH TYR A 31 4.586 -11.854 -8.049 1.00 24.22 H new ATOM 552 N GLY A 32 6.556 -4.460 -2.668 1.00 64.33 N ATOM 553 CA GLY A 32 6.546 -3.255 -1.846 1.00 3.12 C ATOM 554 C GLY A 32 7.811 -3.140 -1.034 1.00 42.35 C ATOM 555 O GLY A 32 8.424 -4.166 -0.737 1.00 44.03 O ATOM 0 H GLY A 32 7.073 -5.244 -2.269 1.00 64.33 H new ATOM 0 HA2 GLY A 32 6.439 -2.377 -2.483 1.00 3.12 H new ATOM 0 HA3 GLY A 32 5.683 -3.273 -1.180 1.00 3.12 H new ATOM 559 N ASN A 33 8.202 -1.915 -0.642 1.00 34.35 N ATOM 560 CA ASN A 33 9.476 -1.718 0.057 1.00 71.30 C ATOM 561 C ASN A 33 9.361 -2.142 1.520 1.00 0.13 C ATOM 562 O ASN A 33 8.748 -1.446 2.307 1.00 5.41 O ATOM 563 CB ASN A 33 9.958 -0.265 -0.018 1.00 33.41 C ATOM 564 CG ASN A 33 11.062 -0.059 -1.029 1.00 34.15 C ATOM 565 OD1 ASN A 33 11.813 -0.984 -1.353 1.00 4.32 O ATOM 566 ND2 ASN A 33 11.186 1.158 -1.525 1.00 70.35 N ATOM 0 H ASN A 33 7.663 -1.063 -0.795 1.00 34.35 H new ATOM 0 HA ASN A 33 10.211 -2.344 -0.448 1.00 71.30 H new ATOM 0 HB2 ASN A 33 9.116 0.378 -0.272 1.00 33.41 H new ATOM 0 HB3 ASN A 33 10.311 0.046 0.965 1.00 33.41 H new ATOM 0 HD21 ASN A 33 11.922 1.361 -2.201 1.00 70.35 H new ATOM 0 HD22 ASN A 33 10.545 1.896 -1.232 1.00 70.35 H new ATOM 573 N ILE A 34 9.934 -3.297 1.861 1.00 32.30 N ATOM 574 CA ILE A 34 9.829 -3.849 3.236 1.00 70.01 C ATOM 575 C ILE A 34 10.690 -3.110 4.285 1.00 64.12 C ATOM 576 O ILE A 34 11.860 -2.791 4.054 1.00 11.31 O ATOM 577 CB ILE A 34 10.027 -5.433 3.298 1.00 74.50 C ATOM 578 CG1 ILE A 34 10.680 -5.943 4.626 1.00 42.34 C ATOM 579 CG2 ILE A 34 10.743 -5.975 2.061 1.00 44.24 C ATOM 580 CD1 ILE A 34 12.198 -6.103 4.650 1.00 51.15 C ATOM 0 H ILE A 34 10.475 -3.874 1.217 1.00 32.30 H new ATOM 0 HA ILE A 34 8.795 -3.654 3.522 1.00 70.01 H new ATOM 0 HB ILE A 34 9.018 -5.845 3.298 1.00 74.50 H new ATOM 0 HG12 ILE A 34 10.402 -5.254 5.424 1.00 42.34 H new ATOM 0 HG13 ILE A 34 10.236 -6.908 4.870 1.00 42.34 H new ATOM 0 HG21 ILE A 34 10.854 -7.056 2.149 1.00 44.24 H new ATOM 0 HG22 ILE A 34 10.158 -5.742 1.171 1.00 44.24 H new ATOM 0 HG23 ILE A 34 11.727 -5.514 1.979 1.00 44.24 H new ATOM 0 HD11 ILE A 34 12.511 -6.463 5.630 1.00 51.15 H new ATOM 0 HD12 ILE A 34 12.500 -6.820 3.887 1.00 51.15 H new ATOM 0 HD13 ILE A 34 12.669 -5.140 4.450 1.00 51.15 H new ATOM 592 N LEU A 35 10.046 -2.801 5.435 1.00 74.34 N ATOM 593 CA LEU A 35 10.720 -2.198 6.580 1.00 44.32 C ATOM 594 C LEU A 35 10.855 -3.214 7.737 1.00 1.21 C ATOM 595 O LEU A 35 11.744 -3.092 8.580 1.00 1.15 O ATOM 596 CB LEU A 35 10.058 -0.859 7.025 1.00 73.05 C ATOM 597 CG LEU A 35 10.516 0.410 6.249 1.00 55.13 C ATOM 598 CD1 LEU A 35 10.152 0.391 4.768 1.00 71.32 C ATOM 599 CD2 LEU A 35 9.939 1.660 6.878 1.00 55.43 C ATOM 0 H LEU A 35 9.050 -2.967 5.582 1.00 74.34 H new ATOM 0 HA LEU A 35 11.729 -1.931 6.265 1.00 44.32 H new ATOM 0 HB2 LEU A 35 8.977 -0.957 6.920 1.00 73.05 H new ATOM 0 HB3 LEU A 35 10.263 -0.708 8.085 1.00 73.05 H new ATOM 0 HG LEU A 35 11.604 0.412 6.317 1.00 55.13 H new ATOM 0 HD11 LEU A 35 10.504 1.308 4.295 1.00 71.32 H new ATOM 0 HD12 LEU A 35 10.622 -0.468 4.289 1.00 71.32 H new ATOM 0 HD13 LEU A 35 9.070 0.319 4.660 1.00 71.32 H new ATOM 0 HD21 LEU A 35 10.272 2.535 6.320 1.00 55.43 H new ATOM 0 HD22 LEU A 35 8.850 1.609 6.857 1.00 55.43 H new ATOM 0 HD23 LEU A 35 10.279 1.738 7.911 1.00 55.43 H new ATOM 611 N LYS A 36 9.968 -4.238 7.739 1.00 44.43 N ATOM 612 CA LYS A 36 9.829 -5.214 8.854 1.00 4.04 C ATOM 613 C LYS A 36 9.301 -6.566 8.270 1.00 22.34 C ATOM 614 O LYS A 36 8.331 -6.555 7.505 1.00 21.42 O ATOM 615 CB LYS A 36 8.842 -4.629 9.899 1.00 3.42 C ATOM 616 CG LYS A 36 8.976 -5.133 11.348 1.00 4.31 C ATOM 617 CD LYS A 36 8.309 -6.493 11.574 1.00 12.32 C ATOM 618 CE LYS A 36 8.239 -6.878 13.049 1.00 51.40 C ATOM 619 NZ LYS A 36 9.582 -7.163 13.620 1.00 24.02 N ATOM 0 H LYS A 36 9.326 -4.413 6.966 1.00 44.43 H new ATOM 0 HA LYS A 36 10.786 -5.397 9.342 1.00 4.04 H new ATOM 0 HB2 LYS A 36 8.959 -3.545 9.905 1.00 3.42 H new ATOM 0 HB3 LYS A 36 7.827 -4.838 9.560 1.00 3.42 H new ATOM 0 HG2 LYS A 36 10.033 -5.206 11.605 1.00 4.31 H new ATOM 0 HG3 LYS A 36 8.533 -4.401 12.024 1.00 4.31 H new ATOM 0 HD2 LYS A 36 7.301 -6.472 11.160 1.00 12.32 H new ATOM 0 HD3 LYS A 36 8.861 -7.259 11.029 1.00 12.32 H new ATOM 0 HE2 LYS A 36 7.771 -6.070 13.612 1.00 51.40 H new ATOM 0 HE3 LYS A 36 7.604 -7.756 13.164 1.00 51.40 H new ATOM 0 HZ1 LYS A 36 9.667 -8.181 13.815 1.00 24.02 H new ATOM 0 HZ2 LYS A 36 10.316 -6.878 12.940 1.00 24.02 H new ATOM 0 HZ3 LYS A 36 9.704 -6.630 14.504 1.00 24.02 H new ATOM 633 N CYS A 37 9.925 -7.721 8.615 1.00 23.23 N ATOM 634 CA CYS A 37 9.443 -9.059 8.192 1.00 51.35 C ATOM 635 C CYS A 37 9.602 -9.979 9.363 1.00 40.35 C ATOM 636 O CYS A 37 10.734 -10.257 9.771 1.00 45.14 O ATOM 637 CB CYS A 37 10.247 -9.645 7.007 1.00 52.43 C ATOM 638 SG CYS A 37 9.776 -9.027 5.382 1.00 15.03 S ATOM 0 H CYS A 37 10.768 -7.751 9.188 1.00 23.23 H new ATOM 0 HA CYS A 37 8.408 -8.960 7.864 1.00 51.35 H new ATOM 0 HB2 CYS A 37 11.304 -9.434 7.166 1.00 52.43 H new ATOM 0 HB3 CYS A 37 10.134 -10.729 7.013 1.00 52.43 H new ATOM 0 HG CYS A 37 10.838 -8.639 4.741 1.00 15.03 H new ATOM 644 N ASP A 38 8.508 -10.403 9.957 1.00 74.12 N ATOM 645 CA ASP A 38 8.662 -11.364 11.067 1.00 2.45 C ATOM 646 C ASP A 38 7.886 -12.655 10.776 1.00 44.04 C ATOM 647 O ASP A 38 6.713 -12.605 10.444 1.00 71.33 O ATOM 648 CB ASP A 38 8.222 -10.716 12.379 1.00 13.10 C ATOM 649 CG ASP A 38 8.979 -11.233 13.581 1.00 35.54 C ATOM 650 OD1 ASP A 38 8.769 -12.392 13.976 1.00 12.31 O ATOM 651 OD2 ASP A 38 9.777 -10.448 14.142 1.00 5.11 O ATOM 0 H ASP A 38 7.553 -10.130 9.723 1.00 74.12 H new ATOM 0 HA ASP A 38 9.713 -11.637 11.164 1.00 2.45 H new ATOM 0 HB2 ASP A 38 8.359 -9.637 12.308 1.00 13.10 H new ATOM 0 HB3 ASP A 38 7.156 -10.893 12.525 1.00 13.10 H new ATOM 656 N VAL A 39 8.553 -13.813 10.875 1.00 24.31 N ATOM 657 CA VAL A 39 7.906 -15.100 10.573 1.00 50.23 C ATOM 658 C VAL A 39 7.888 -15.988 11.828 1.00 33.02 C ATOM 659 O VAL A 39 8.929 -16.404 12.347 1.00 13.21 O ATOM 660 CB VAL A 39 8.523 -15.817 9.246 1.00 72.24 C ATOM 661 CG1 VAL A 39 10.022 -15.602 9.105 1.00 1.31 C ATOM 662 CG2 VAL A 39 8.321 -17.356 9.120 1.00 52.55 C ATOM 0 H VAL A 39 9.530 -13.887 11.159 1.00 24.31 H new ATOM 0 HA VAL A 39 6.866 -14.915 10.306 1.00 50.23 H new ATOM 0 HB VAL A 39 7.943 -15.322 8.467 1.00 72.24 H new ATOM 0 HG11 VAL A 39 10.378 -16.102 8.204 1.00 1.31 H new ATOM 0 HG12 VAL A 39 10.231 -14.535 9.035 1.00 1.31 H new ATOM 0 HG13 VAL A 39 10.532 -16.016 9.975 1.00 1.31 H new ATOM 0 HG21 VAL A 39 8.777 -17.708 8.195 1.00 52.55 H new ATOM 0 HG22 VAL A 39 8.789 -17.855 9.968 1.00 52.55 H new ATOM 0 HG23 VAL A 39 7.255 -17.583 9.108 1.00 52.55 H new ATOM 672 N LYS A 40 6.662 -16.218 12.329 1.00 3.33 N ATOM 673 CA LYS A 40 6.424 -16.868 13.622 1.00 30.35 C ATOM 674 C LYS A 40 5.588 -18.161 13.420 1.00 24.40 C ATOM 675 O LYS A 40 4.753 -18.187 12.512 1.00 60.54 O ATOM 676 CB LYS A 40 5.705 -15.822 14.490 1.00 0.44 C ATOM 677 CG LYS A 40 6.632 -14.673 14.860 1.00 73.54 C ATOM 678 CD LYS A 40 6.260 -14.049 16.198 1.00 25.01 C ATOM 679 CE LYS A 40 5.507 -12.738 16.055 1.00 1.45 C ATOM 680 NZ LYS A 40 5.181 -12.173 17.392 1.00 13.04 N ATOM 0 H LYS A 40 5.805 -15.955 11.842 1.00 3.33 H new ATOM 0 HA LYS A 40 7.345 -17.186 14.110 1.00 30.35 H new ATOM 0 HB2 LYS A 40 4.840 -15.434 13.953 1.00 0.44 H new ATOM 0 HB3 LYS A 40 5.331 -16.296 15.397 1.00 0.44 H new ATOM 0 HG2 LYS A 40 7.659 -15.035 14.902 1.00 73.54 H new ATOM 0 HG3 LYS A 40 6.594 -13.911 14.081 1.00 73.54 H new ATOM 0 HD2 LYS A 40 5.648 -14.753 16.763 1.00 25.01 H new ATOM 0 HD3 LYS A 40 7.167 -13.879 16.778 1.00 25.01 H new ATOM 0 HE2 LYS A 40 6.109 -12.026 15.490 1.00 1.45 H new ATOM 0 HE3 LYS A 40 4.590 -12.899 15.489 1.00 1.45 H new ATOM 0 HZ1 LYS A 40 4.666 -11.277 17.274 1.00 13.04 H new ATOM 0 HZ2 LYS A 40 4.588 -12.846 17.918 1.00 13.04 H new ATOM 0 HZ3 LYS A 40 6.060 -12.000 17.920 1.00 13.04 H new ATOM 694 N LYS A 41 5.777 -19.248 14.229 1.00 55.31 N ATOM 695 CA LYS A 41 5.074 -20.507 13.903 1.00 41.34 C ATOM 696 C LYS A 41 4.259 -20.955 15.153 1.00 33.40 C ATOM 697 O LYS A 41 4.685 -20.647 16.271 1.00 12.10 O ATOM 698 CB LYS A 41 6.070 -21.634 13.322 1.00 4.11 C ATOM 699 CG LYS A 41 6.723 -22.618 14.323 1.00 71.25 C ATOM 700 CD LYS A 41 7.491 -21.926 15.449 1.00 1.13 C ATOM 701 CE LYS A 41 8.631 -21.043 14.957 1.00 51.40 C ATOM 702 NZ LYS A 41 9.642 -20.792 16.020 1.00 1.34 N ATOM 0 H LYS A 41 6.372 -19.273 15.057 1.00 55.31 H new ATOM 0 HA LYS A 41 4.371 -20.341 13.087 1.00 41.34 H new ATOM 0 HB2 LYS A 41 5.517 -22.222 12.590 1.00 4.11 H new ATOM 0 HB3 LYS A 41 6.870 -21.126 12.784 1.00 4.11 H new ATOM 0 HG2 LYS A 41 5.948 -23.249 14.758 1.00 71.25 H new ATOM 0 HG3 LYS A 41 7.403 -23.276 13.782 1.00 71.25 H new ATOM 0 HD2 LYS A 41 6.797 -21.319 16.031 1.00 1.13 H new ATOM 0 HD3 LYS A 41 7.893 -22.683 16.122 1.00 1.13 H new ATOM 0 HE2 LYS A 41 9.114 -21.517 14.103 1.00 51.40 H new ATOM 0 HE3 LYS A 41 8.228 -20.092 14.608 1.00 51.40 H new ATOM 0 HZ1 LYS A 41 10.400 -20.187 15.643 1.00 1.34 H new ATOM 0 HZ2 LYS A 41 9.188 -20.316 16.826 1.00 1.34 H new ATOM 0 HZ3 LYS A 41 10.046 -21.697 16.335 1.00 1.34 H new ATOM 716 N THR A 42 3.070 -21.586 15.023 1.00 71.23 N ATOM 717 CA THR A 42 2.397 -22.085 16.214 1.00 52.34 C ATOM 718 C THR A 42 2.631 -23.607 16.392 1.00 74.34 C ATOM 719 O THR A 42 3.114 -24.278 15.468 1.00 33.43 O ATOM 720 CB THR A 42 0.863 -21.729 16.231 1.00 71.12 C ATOM 721 OG1 THR A 42 0.348 -21.826 17.563 1.00 71.14 O ATOM 722 CG2 THR A 42 0.008 -22.616 15.308 1.00 61.41 C ATOM 0 H THR A 42 2.585 -21.751 14.141 1.00 71.23 H new ATOM 0 HA THR A 42 2.842 -21.575 17.068 1.00 52.34 H new ATOM 0 HB THR A 42 0.794 -20.708 15.855 1.00 71.12 H new ATOM 0 HG1 THR A 42 -0.606 -21.601 17.562 1.00 71.14 H new ATOM 0 HG21 THR A 42 -1.036 -22.310 15.374 1.00 61.41 H new ATOM 0 HG22 THR A 42 0.353 -22.509 14.279 1.00 61.41 H new ATOM 0 HG23 THR A 42 0.101 -23.657 15.616 1.00 61.41 H new ATOM 730 N VAL A 43 2.290 -24.133 17.590 1.00 41.32 N ATOM 731 CA VAL A 43 2.423 -25.568 17.936 1.00 62.11 C ATOM 732 C VAL A 43 1.490 -26.553 17.154 1.00 14.21 C ATOM 733 O VAL A 43 1.606 -27.766 17.338 1.00 21.13 O ATOM 734 CB VAL A 43 2.312 -25.804 19.480 1.00 53.24 C ATOM 735 CG1 VAL A 43 3.456 -25.099 20.191 1.00 33.31 C ATOM 736 CG2 VAL A 43 0.974 -25.354 20.094 1.00 71.31 C ATOM 0 H VAL A 43 1.911 -23.569 18.351 1.00 41.32 H new ATOM 0 HA VAL A 43 3.429 -25.819 17.599 1.00 62.11 H new ATOM 0 HB VAL A 43 2.367 -26.883 19.622 1.00 53.24 H new ATOM 0 HG11 VAL A 43 3.375 -25.266 21.265 1.00 33.31 H new ATOM 0 HG12 VAL A 43 4.406 -25.495 19.833 1.00 33.31 H new ATOM 0 HG13 VAL A 43 3.408 -24.030 19.985 1.00 33.31 H new ATOM 0 HG21 VAL A 43 0.980 -25.553 21.166 1.00 71.31 H new ATOM 0 HG22 VAL A 43 0.836 -24.286 19.924 1.00 71.31 H new ATOM 0 HG23 VAL A 43 0.156 -25.904 19.628 1.00 71.31 H new ATOM 746 N SER A 44 0.583 -26.054 16.285 1.00 50.04 N ATOM 747 CA SER A 44 -0.449 -26.878 15.654 1.00 65.11 C ATOM 748 C SER A 44 0.007 -27.284 14.232 1.00 22.00 C ATOM 749 O SER A 44 -0.761 -27.881 13.466 1.00 41.44 O ATOM 750 CB SER A 44 -1.792 -26.090 15.608 1.00 52.05 C ATOM 751 OG SER A 44 -2.890 -26.924 15.264 1.00 1.20 O ATOM 0 H SER A 44 0.553 -25.073 16.008 1.00 50.04 H new ATOM 0 HA SER A 44 -0.604 -27.786 16.237 1.00 65.11 H new ATOM 0 HB2 SER A 44 -1.976 -25.631 16.580 1.00 52.05 H new ATOM 0 HB3 SER A 44 -1.712 -25.280 14.883 1.00 52.05 H new ATOM 0 HG SER A 44 -2.625 -27.534 14.544 1.00 1.20 H new ATOM 757 N GLY A 45 1.269 -26.962 13.896 1.00 43.21 N ATOM 758 CA GLY A 45 1.792 -27.194 12.549 1.00 70.31 C ATOM 759 C GLY A 45 1.449 -26.105 11.516 1.00 55.44 C ATOM 760 O GLY A 45 1.933 -26.162 10.387 1.00 32.12 O ATOM 0 H GLY A 45 1.939 -26.542 14.540 1.00 43.21 H new ATOM 0 HA2 GLY A 45 2.876 -27.287 12.609 1.00 70.31 H new ATOM 0 HA3 GLY A 45 1.410 -28.149 12.187 1.00 70.31 H new ATOM 764 N ALA A 46 0.621 -25.116 11.888 1.00 71.20 N ATOM 765 CA ALA A 46 0.318 -23.991 10.999 1.00 12.22 C ATOM 766 C ALA A 46 1.396 -22.887 11.171 1.00 4.11 C ATOM 767 O ALA A 46 1.710 -22.501 12.301 1.00 33.24 O ATOM 768 CB ALA A 46 -1.114 -23.472 11.269 1.00 34.12 C ATOM 0 H ALA A 46 0.153 -25.075 12.794 1.00 71.20 H new ATOM 0 HA ALA A 46 0.347 -24.316 9.959 1.00 12.22 H new ATOM 0 HB1 ALA A 46 -1.330 -22.636 10.603 1.00 34.12 H new ATOM 0 HB2 ALA A 46 -1.831 -24.273 11.090 1.00 34.12 H new ATOM 0 HB3 ALA A 46 -1.192 -23.141 12.305 1.00 34.12 H new ATOM 774 N ALA A 47 1.961 -22.384 10.056 1.00 44.31 N ATOM 775 CA ALA A 47 3.065 -21.398 10.115 1.00 15.33 C ATOM 776 C ALA A 47 2.572 -20.068 9.538 1.00 72.22 C ATOM 777 O ALA A 47 1.721 -20.090 8.640 1.00 23.21 O ATOM 778 CB ALA A 47 4.348 -21.906 9.402 1.00 23.50 C ATOM 0 H ALA A 47 1.676 -22.639 9.110 1.00 44.31 H new ATOM 0 HA ALA A 47 3.352 -21.250 11.156 1.00 15.33 H new ATOM 0 HB1 ALA A 47 5.128 -21.148 9.473 1.00 23.50 H new ATOM 0 HB2 ALA A 47 4.690 -22.824 9.879 1.00 23.50 H new ATOM 0 HB3 ALA A 47 4.127 -22.103 8.353 1.00 23.50 H new ATOM 784 N PHE A 48 3.051 -18.901 10.042 1.00 73.52 N ATOM 785 CA PHE A 48 2.518 -17.632 9.550 1.00 23.35 C ATOM 786 C PHE A 48 3.647 -16.692 9.148 1.00 14.54 C ATOM 787 O PHE A 48 4.743 -16.763 9.712 1.00 33.31 O ATOM 788 CB PHE A 48 1.749 -16.934 10.695 1.00 41.31 C ATOM 789 CG PHE A 48 0.870 -17.838 11.478 1.00 51.14 C ATOM 790 CD1 PHE A 48 -0.366 -18.193 10.992 1.00 40.11 C ATOM 791 CD2 PHE A 48 1.290 -18.343 12.696 1.00 44.14 C ATOM 792 CE1 PHE A 48 -1.180 -19.031 11.705 1.00 64.10 C ATOM 793 CE2 PHE A 48 0.490 -19.167 13.409 1.00 15.15 C ATOM 794 CZ PHE A 48 -0.758 -19.523 12.926 1.00 22.13 C ATOM 0 H PHE A 48 3.774 -18.825 10.758 1.00 73.52 H new ATOM 0 HA PHE A 48 1.877 -17.843 8.694 1.00 23.35 H new ATOM 0 HB2 PHE A 48 2.468 -16.470 11.370 1.00 41.31 H new ATOM 0 HB3 PHE A 48 1.143 -16.131 10.274 1.00 41.31 H new ATOM 0 HD1 PHE A 48 -0.698 -17.807 10.039 1.00 40.11 H new ATOM 0 HD2 PHE A 48 2.264 -18.077 13.080 1.00 44.14 H new ATOM 0 HE1 PHE A 48 -2.149 -19.307 11.315 1.00 64.10 H new ATOM 0 HE2 PHE A 48 0.826 -19.550 14.361 1.00 15.15 H new ATOM 0 HZ PHE A 48 -1.396 -20.180 13.498 1.00 22.13 H new ATOM 804 N ALA A 49 3.384 -15.809 8.177 1.00 44.13 N ATOM 805 CA ALA A 49 4.336 -14.756 7.866 1.00 5.22 C ATOM 806 C ALA A 49 3.678 -13.385 7.881 1.00 0.20 C ATOM 807 O ALA A 49 2.480 -13.230 7.575 1.00 70.13 O ATOM 808 CB ALA A 49 5.180 -15.042 6.601 1.00 1.13 C ATOM 0 H ALA A 49 2.537 -15.807 7.609 1.00 44.13 H new ATOM 0 HA ALA A 49 5.071 -14.745 8.671 1.00 5.22 H new ATOM 0 HB1 ALA A 49 5.869 -14.215 6.429 1.00 1.13 H new ATOM 0 HB2 ALA A 49 5.746 -15.963 6.742 1.00 1.13 H new ATOM 0 HB3 ALA A 49 4.520 -15.150 5.740 1.00 1.13 H new ATOM 814 N PHE A 50 4.476 -12.399 8.281 1.00 12.04 N ATOM 815 CA PHE A 50 3.986 -11.102 8.675 1.00 73.40 C ATOM 816 C PHE A 50 4.855 -10.080 7.959 1.00 54.22 C ATOM 817 O PHE A 50 6.091 -10.015 8.223 1.00 12.23 O ATOM 818 CB PHE A 50 4.067 -10.926 10.208 1.00 23.31 C ATOM 819 CG PHE A 50 3.311 -9.718 10.719 1.00 42.22 C ATOM 820 CD1 PHE A 50 1.931 -9.763 10.853 1.00 34.23 C ATOM 821 CD2 PHE A 50 3.976 -8.547 11.057 1.00 43.21 C ATOM 822 CE1 PHE A 50 1.228 -8.665 11.313 1.00 2.24 C ATOM 823 CE2 PHE A 50 3.277 -7.447 11.521 1.00 24.22 C ATOM 824 CZ PHE A 50 1.902 -7.506 11.647 1.00 12.14 C ATOM 0 H PHE A 50 5.490 -12.489 8.338 1.00 12.04 H new ATOM 0 HA PHE A 50 2.937 -10.978 8.405 1.00 73.40 H new ATOM 0 HB2 PHE A 50 3.673 -11.821 10.690 1.00 23.31 H new ATOM 0 HB3 PHE A 50 5.113 -10.840 10.501 1.00 23.31 H new ATOM 0 HD1 PHE A 50 1.399 -10.667 10.595 1.00 34.23 H new ATOM 0 HD2 PHE A 50 5.050 -8.494 10.957 1.00 43.21 H new ATOM 0 HE1 PHE A 50 0.154 -8.713 11.411 1.00 2.24 H new ATOM 0 HE2 PHE A 50 3.805 -6.543 11.785 1.00 24.22 H new ATOM 0 HZ PHE A 50 1.355 -6.647 12.006 1.00 12.14 H new ATOM 834 N ILE A 51 4.236 -9.255 7.104 1.00 1.33 N ATOM 835 CA ILE A 51 5.012 -8.523 6.095 1.00 15.50 C ATOM 836 C ILE A 51 4.630 -7.044 6.118 1.00 42.53 C ATOM 837 O ILE A 51 3.502 -6.703 5.850 1.00 71.44 O ATOM 838 CB ILE A 51 4.846 -9.145 4.648 1.00 44.14 C ATOM 839 CG1 ILE A 51 3.825 -10.326 4.588 1.00 54.01 C ATOM 840 CG2 ILE A 51 6.192 -9.648 4.199 1.00 54.54 C ATOM 841 CD1 ILE A 51 3.340 -10.726 3.192 1.00 53.31 C ATOM 0 H ILE A 51 3.231 -9.081 7.089 1.00 1.33 H new ATOM 0 HA ILE A 51 6.068 -8.615 6.348 1.00 15.50 H new ATOM 0 HB ILE A 51 4.457 -8.360 3.999 1.00 44.14 H new ATOM 0 HG12 ILE A 51 4.281 -11.198 5.056 1.00 54.01 H new ATOM 0 HG13 ILE A 51 2.956 -10.060 5.190 1.00 54.01 H new ATOM 0 HG21 ILE A 51 6.104 -10.082 3.203 1.00 54.54 H new ATOM 0 HG22 ILE A 51 6.900 -8.820 4.173 1.00 54.54 H new ATOM 0 HG23 ILE A 51 6.548 -10.407 4.896 1.00 54.54 H new ATOM 0 HD11 ILE A 51 2.636 -11.554 3.275 1.00 53.31 H new ATOM 0 HD12 ILE A 51 2.846 -9.876 2.721 1.00 53.31 H new ATOM 0 HD13 ILE A 51 4.192 -11.033 2.585 1.00 53.31 H new ATOM 853 N GLU A 52 5.562 -6.178 6.503 1.00 12.30 N ATOM 854 CA GLU A 52 5.262 -4.735 6.572 1.00 33.40 C ATOM 855 C GLU A 52 5.987 -3.935 5.461 1.00 12.34 C ATOM 856 O GLU A 52 7.223 -3.792 5.502 1.00 54.11 O ATOM 857 CB GLU A 52 5.601 -4.141 7.952 1.00 40.25 C ATOM 858 CG GLU A 52 4.827 -4.758 9.122 1.00 63.23 C ATOM 859 CD GLU A 52 5.042 -4.030 10.441 1.00 64.25 C ATOM 860 OE1 GLU A 52 4.776 -2.809 10.505 1.00 31.10 O ATOM 861 OE2 GLU A 52 5.461 -4.673 11.422 1.00 75.33 O ATOM 0 H GLU A 52 6.513 -6.433 6.768 1.00 12.30 H new ATOM 0 HA GLU A 52 4.188 -4.643 6.413 1.00 33.40 H new ATOM 0 HB2 GLU A 52 6.668 -4.266 8.134 1.00 40.25 H new ATOM 0 HB3 GLU A 52 5.405 -3.069 7.929 1.00 40.25 H new ATOM 0 HG2 GLU A 52 3.763 -4.757 8.885 1.00 63.23 H new ATOM 0 HG3 GLU A 52 5.127 -5.799 9.237 1.00 63.23 H new ATOM 868 N PHE A 53 5.228 -3.426 4.450 1.00 2.52 N ATOM 869 CA PHE A 53 5.833 -2.627 3.353 1.00 43.24 C ATOM 870 C PHE A 53 5.484 -1.123 3.489 1.00 3.32 C ATOM 871 O PHE A 53 4.529 -0.787 4.180 1.00 44.33 O ATOM 872 CB PHE A 53 5.369 -3.126 1.960 1.00 23.52 C ATOM 873 CG PHE A 53 5.518 -4.610 1.743 1.00 1.23 C ATOM 874 CD1 PHE A 53 6.624 -5.289 2.210 1.00 41.12 C ATOM 875 CD2 PHE A 53 4.531 -5.338 1.106 1.00 15.05 C ATOM 876 CE1 PHE A 53 6.742 -6.644 2.069 1.00 41.32 C ATOM 877 CE2 PHE A 53 4.648 -6.688 0.954 1.00 73.03 C ATOM 878 CZ PHE A 53 5.750 -7.347 1.441 1.00 52.01 C ATOM 0 H PHE A 53 4.219 -3.552 4.374 1.00 2.52 H new ATOM 0 HA PHE A 53 6.912 -2.755 3.437 1.00 43.24 H new ATOM 0 HB2 PHE A 53 4.322 -2.855 1.822 1.00 23.52 H new ATOM 0 HB3 PHE A 53 5.938 -2.601 1.193 1.00 23.52 H new ATOM 0 HD1 PHE A 53 7.415 -4.738 2.698 1.00 41.12 H new ATOM 0 HD2 PHE A 53 3.657 -4.832 0.724 1.00 15.05 H new ATOM 0 HE1 PHE A 53 7.613 -7.156 2.451 1.00 41.32 H new ATOM 0 HE2 PHE A 53 3.871 -7.241 0.448 1.00 73.03 H new ATOM 0 HZ PHE A 53 5.834 -8.418 1.329 1.00 52.01 H new ATOM 888 N GLU A 54 6.256 -0.210 2.832 1.00 14.03 N ATOM 889 CA GLU A 54 5.933 1.255 2.880 1.00 22.53 C ATOM 890 C GLU A 54 4.808 1.674 1.895 1.00 74.42 C ATOM 891 O GLU A 54 4.094 2.647 2.159 1.00 53.20 O ATOM 892 CB GLU A 54 7.180 2.192 2.722 1.00 23.51 C ATOM 893 CG GLU A 54 7.636 2.521 1.277 1.00 40.43 C ATOM 894 CD GLU A 54 8.935 3.310 1.229 1.00 35.14 C ATOM 895 OE1 GLU A 54 9.090 4.257 2.022 1.00 24.25 O ATOM 896 OE2 GLU A 54 9.806 2.985 0.398 1.00 24.12 O ATOM 0 H GLU A 54 7.080 -0.447 2.279 1.00 14.03 H new ATOM 0 HA GLU A 54 5.555 1.398 3.892 1.00 22.53 H new ATOM 0 HB2 GLU A 54 6.964 3.131 3.231 1.00 23.51 H new ATOM 0 HB3 GLU A 54 8.018 1.731 3.245 1.00 23.51 H new ATOM 0 HG2 GLU A 54 7.761 1.592 0.721 1.00 40.43 H new ATOM 0 HG3 GLU A 54 6.853 3.090 0.775 1.00 40.43 H new ATOM 903 N ASP A 55 4.617 0.931 0.797 1.00 44.45 N ATOM 904 CA ASP A 55 3.607 1.274 -0.188 1.00 22.22 C ATOM 905 C ASP A 55 2.549 0.171 -0.236 1.00 41.31 C ATOM 906 O ASP A 55 2.883 -0.984 -0.514 1.00 33.44 O ATOM 907 CB ASP A 55 4.279 1.372 -1.565 1.00 50.21 C ATOM 908 CG ASP A 55 4.986 2.691 -1.778 1.00 24.33 C ATOM 909 OD1 ASP A 55 4.374 3.741 -1.486 1.00 22.23 O ATOM 910 OD2 ASP A 55 6.111 2.685 -2.304 1.00 2.41 O ATOM 0 H ASP A 55 5.153 0.091 0.577 1.00 44.45 H new ATOM 0 HA ASP A 55 3.139 2.222 0.077 1.00 22.22 H new ATOM 0 HB2 ASP A 55 4.996 0.559 -1.673 1.00 50.21 H new ATOM 0 HB3 ASP A 55 3.526 1.238 -2.342 1.00 50.21 H new ATOM 915 N ALA A 56 1.274 0.499 0.058 1.00 65.50 N ATOM 916 CA ALA A 56 0.200 -0.491 -0.089 1.00 42.13 C ATOM 917 C ALA A 56 -0.296 -0.789 -1.538 1.00 15.05 C ATOM 918 O ALA A 56 -0.710 -1.929 -1.776 1.00 33.40 O ATOM 919 CB ALA A 56 -0.983 -0.184 0.830 1.00 2.44 C ATOM 0 H ALA A 56 0.973 1.416 0.389 1.00 65.50 H new ATOM 0 HA ALA A 56 0.687 -1.416 0.219 1.00 42.13 H new ATOM 0 HB1 ALA A 56 -1.757 -0.939 0.692 1.00 2.44 H new ATOM 0 HB2 ALA A 56 -0.649 -0.192 1.868 1.00 2.44 H new ATOM 0 HB3 ALA A 56 -1.387 0.799 0.587 1.00 2.44 H new ATOM 925 N ARG A 57 -0.319 0.179 -2.517 1.00 50.35 N ATOM 926 CA ARG A 57 -1.001 -0.129 -3.792 1.00 22.52 C ATOM 927 C ARG A 57 -0.159 -0.997 -4.783 1.00 44.11 C ATOM 928 O ARG A 57 -0.760 -1.710 -5.580 1.00 12.31 O ATOM 929 CB ARG A 57 -1.742 1.064 -4.507 1.00 73.14 C ATOM 930 CG ARG A 57 -0.958 1.932 -5.526 1.00 22.21 C ATOM 931 CD ARG A 57 0.031 2.936 -4.941 1.00 21.40 C ATOM 932 NE ARG A 57 1.397 2.506 -5.175 1.00 62.11 N ATOM 933 CZ ARG A 57 2.455 2.954 -4.514 1.00 63.21 C ATOM 934 NH1 ARG A 57 2.306 3.852 -3.552 1.00 64.54 N ATOM 935 NH2 ARG A 57 3.660 2.507 -4.851 1.00 3.43 N ATOM 0 H ARG A 57 0.098 1.107 -2.446 1.00 50.35 H new ATOM 0 HA ARG A 57 -1.818 -0.762 -3.445 1.00 22.52 H new ATOM 0 HB2 ARG A 57 -2.608 0.651 -5.024 1.00 73.14 H new ATOM 0 HB3 ARG A 57 -2.121 1.729 -3.731 1.00 73.14 H new ATOM 0 HG2 ARG A 57 -0.413 1.266 -6.195 1.00 22.21 H new ATOM 0 HG3 ARG A 57 -1.678 2.477 -6.136 1.00 22.21 H new ATOM 0 HD2 ARG A 57 -0.129 3.916 -5.391 1.00 21.40 H new ATOM 0 HD3 ARG A 57 -0.143 3.044 -3.870 1.00 21.40 H new ATOM 0 HE ARG A 57 1.555 1.808 -5.902 1.00 62.11 H new ATOM 0 HH11 ARG A 57 1.376 4.200 -3.319 1.00 64.54 H new ATOM 0 HH12 ARG A 57 3.121 4.196 -3.044 1.00 64.54 H new ATOM 0 HH21 ARG A 57 3.760 1.830 -5.607 1.00 3.43 H new ATOM 0 HH22 ARG A 57 4.485 2.841 -4.353 1.00 3.43 H new ATOM 949 N ASP A 58 1.217 -0.940 -4.792 1.00 52.33 N ATOM 950 CA ASP A 58 1.992 -1.920 -5.623 1.00 4.41 C ATOM 951 C ASP A 58 2.082 -3.397 -5.051 1.00 72.12 C ATOM 952 O ASP A 58 2.183 -4.334 -5.848 1.00 73.43 O ATOM 953 CB ASP A 58 3.389 -1.359 -6.056 1.00 44.14 C ATOM 954 CG ASP A 58 3.299 -0.379 -7.209 1.00 42.12 C ATOM 955 OD1 ASP A 58 2.632 0.665 -7.056 1.00 1.11 O ATOM 956 OD2 ASP A 58 3.920 -0.625 -8.257 1.00 31.41 O ATOM 0 H ASP A 58 1.779 -0.270 -4.268 1.00 52.33 H new ATOM 0 HA ASP A 58 1.384 -2.033 -6.521 1.00 4.41 H new ATOM 0 HB2 ASP A 58 3.858 -0.867 -5.204 1.00 44.14 H new ATOM 0 HB3 ASP A 58 4.036 -2.189 -6.341 1.00 44.14 H new ATOM 961 N ALA A 59 2.079 -3.624 -3.688 1.00 24.42 N ATOM 962 CA ALA A 59 1.954 -4.977 -3.064 1.00 23.03 C ATOM 963 C ALA A 59 0.644 -5.768 -3.482 1.00 14.35 C ATOM 964 O ALA A 59 0.573 -7.022 -3.386 1.00 64.51 O ATOM 965 CB ALA A 59 2.172 -4.877 -1.540 1.00 5.10 C ATOM 0 H ALA A 59 2.163 -2.872 -3.004 1.00 24.42 H new ATOM 0 HA ALA A 59 2.750 -5.601 -3.471 1.00 23.03 H new ATOM 0 HB1 ALA A 59 2.079 -5.867 -1.093 1.00 5.10 H new ATOM 0 HB2 ALA A 59 3.167 -4.481 -1.340 1.00 5.10 H new ATOM 0 HB3 ALA A 59 1.424 -4.213 -1.108 1.00 5.10 H new ATOM 971 N ALA A 60 -0.402 -5.005 -3.891 1.00 75.32 N ATOM 972 CA ALA A 60 -1.670 -5.524 -4.448 1.00 32.43 C ATOM 973 C ALA A 60 -1.479 -6.567 -5.596 1.00 65.13 C ATOM 974 O ALA A 60 -2.251 -7.544 -5.596 1.00 74.34 O ATOM 975 CB ALA A 60 -2.630 -4.351 -4.837 1.00 73.20 C ATOM 0 H ALA A 60 -0.382 -3.986 -3.840 1.00 75.32 H new ATOM 0 HA ALA A 60 -2.151 -6.092 -3.652 1.00 32.43 H new ATOM 0 HB1 ALA A 60 -3.556 -4.758 -5.244 1.00 73.20 H new ATOM 0 HB2 ALA A 60 -2.854 -3.755 -3.952 1.00 73.20 H new ATOM 0 HB3 ALA A 60 -2.150 -3.721 -5.586 1.00 73.20 H new ATOM 981 N ASP A 61 -0.453 -6.405 -6.527 1.00 24.12 N ATOM 982 CA ASP A 61 -0.085 -7.482 -7.499 1.00 33.24 C ATOM 983 C ASP A 61 0.218 -8.820 -6.794 1.00 32.25 C ATOM 984 O ASP A 61 -0.380 -9.836 -7.137 1.00 32.34 O ATOM 985 CB ASP A 61 1.081 -7.101 -8.436 1.00 13.03 C ATOM 986 CG ASP A 61 0.784 -5.875 -9.277 1.00 31.44 C ATOM 987 OD1 ASP A 61 -0.035 -5.982 -10.223 1.00 72.22 O ATOM 988 OD2 ASP A 61 1.365 -4.813 -9.000 1.00 71.24 O ATOM 0 H ASP A 61 0.108 -5.557 -6.610 1.00 24.12 H new ATOM 0 HA ASP A 61 -0.969 -7.606 -8.124 1.00 33.24 H new ATOM 0 HB2 ASP A 61 1.975 -6.919 -7.840 1.00 13.03 H new ATOM 0 HB3 ASP A 61 1.302 -7.942 -9.093 1.00 13.03 H new ATOM 993 N ALA A 62 1.102 -8.821 -5.778 1.00 24.31 N ATOM 994 CA ALA A 62 1.357 -10.043 -4.983 1.00 62.03 C ATOM 995 C ALA A 62 0.125 -10.557 -4.278 1.00 5.12 C ATOM 996 O ALA A 62 -0.038 -11.771 -4.251 1.00 72.42 O ATOM 997 CB ALA A 62 2.497 -9.940 -3.956 1.00 52.42 C ATOM 0 H ALA A 62 1.644 -8.006 -5.490 1.00 24.31 H new ATOM 0 HA ALA A 62 1.674 -10.751 -5.749 1.00 62.03 H new ATOM 0 HB1 ALA A 62 2.599 -10.889 -3.429 1.00 52.42 H new ATOM 0 HB2 ALA A 62 3.430 -9.708 -4.470 1.00 52.42 H new ATOM 0 HB3 ALA A 62 2.271 -9.150 -3.240 1.00 52.42 H new ATOM 1003 N ILE A 63 -0.758 -9.698 -3.717 1.00 21.24 N ATOM 1004 CA ILE A 63 -1.890 -10.297 -2.991 1.00 63.15 C ATOM 1005 C ILE A 63 -2.962 -10.915 -3.926 1.00 11.31 C ATOM 1006 O ILE A 63 -3.385 -12.037 -3.660 1.00 10.51 O ATOM 1007 CB ILE A 63 -2.516 -9.440 -1.846 1.00 63.21 C ATOM 1008 CG1 ILE A 63 -3.321 -10.420 -0.962 1.00 43.13 C ATOM 1009 CG2 ILE A 63 -3.363 -8.278 -2.356 1.00 54.10 C ATOM 1010 CD1 ILE A 63 -4.490 -9.869 -0.188 1.00 35.15 C ATOM 0 H ILE A 63 -0.718 -8.679 -3.747 1.00 21.24 H new ATOM 0 HA ILE A 63 -1.413 -11.119 -2.456 1.00 63.15 H new ATOM 0 HB ILE A 63 -1.731 -8.950 -1.269 1.00 63.21 H new ATOM 0 HG12 ILE A 63 -3.691 -11.222 -1.601 1.00 43.13 H new ATOM 0 HG13 ILE A 63 -2.631 -10.873 -0.250 1.00 43.13 H new ATOM 0 HG21 ILE A 63 -3.768 -7.724 -1.509 1.00 54.10 H new ATOM 0 HG22 ILE A 63 -2.745 -7.615 -2.961 1.00 54.10 H new ATOM 0 HG23 ILE A 63 -4.182 -8.664 -2.962 1.00 54.10 H new ATOM 0 HD11 ILE A 63 -4.957 -10.670 0.385 1.00 35.15 H new ATOM 0 HD12 ILE A 63 -4.142 -9.092 0.492 1.00 35.15 H new ATOM 0 HD13 ILE A 63 -5.218 -9.446 -0.880 1.00 35.15 H new ATOM 1022 N LYS A 64 -3.392 -10.223 -5.003 1.00 64.43 N ATOM 1023 CA LYS A 64 -4.173 -10.895 -6.075 1.00 74.12 C ATOM 1024 C LYS A 64 -3.490 -12.155 -6.671 1.00 54.42 C ATOM 1025 O LYS A 64 -4.182 -13.088 -7.047 1.00 31.13 O ATOM 1026 CB LYS A 64 -4.532 -9.916 -7.240 1.00 32.34 C ATOM 1027 CG LYS A 64 -3.352 -9.199 -7.945 1.00 3.42 C ATOM 1028 CD LYS A 64 -2.805 -9.941 -9.175 1.00 0.22 C ATOM 1029 CE LYS A 64 -2.219 -8.993 -10.222 1.00 62.15 C ATOM 1030 NZ LYS A 64 -3.189 -7.955 -10.665 1.00 25.14 N ATOM 0 H LYS A 64 -3.221 -9.229 -5.156 1.00 64.43 H new ATOM 0 HA LYS A 64 -5.082 -11.224 -5.571 1.00 74.12 H new ATOM 0 HB2 LYS A 64 -5.088 -10.475 -7.993 1.00 32.34 H new ATOM 0 HB3 LYS A 64 -5.205 -9.154 -6.847 1.00 32.34 H new ATOM 0 HG2 LYS A 64 -3.677 -8.204 -8.250 1.00 3.42 H new ATOM 0 HG3 LYS A 64 -2.543 -9.064 -7.227 1.00 3.42 H new ATOM 0 HD2 LYS A 64 -2.036 -10.645 -8.857 1.00 0.22 H new ATOM 0 HD3 LYS A 64 -3.606 -10.526 -9.628 1.00 0.22 H new ATOM 0 HE2 LYS A 64 -1.335 -8.506 -9.811 1.00 62.15 H new ATOM 0 HE3 LYS A 64 -1.892 -9.571 -11.086 1.00 62.15 H new ATOM 0 HZ1 LYS A 64 -2.945 -7.639 -11.625 1.00 25.14 H new ATOM 0 HZ2 LYS A 64 -4.149 -8.355 -10.665 1.00 25.14 H new ATOM 0 HZ3 LYS A 64 -3.152 -7.145 -10.014 1.00 25.14 H new ATOM 1044 N GLU A 65 -2.151 -12.190 -6.784 1.00 41.24 N ATOM 1045 CA GLU A 65 -1.485 -13.303 -7.431 1.00 61.54 C ATOM 1046 C GLU A 65 -1.282 -14.504 -6.468 1.00 52.23 C ATOM 1047 O GLU A 65 -1.175 -15.654 -6.917 1.00 20.13 O ATOM 1048 CB GLU A 65 -0.200 -12.728 -8.063 1.00 0.13 C ATOM 1049 CG GLU A 65 1.049 -13.461 -7.760 1.00 33.13 C ATOM 1050 CD GLU A 65 2.305 -12.832 -8.288 1.00 75.31 C ATOM 1051 OE1 GLU A 65 2.229 -11.970 -9.189 1.00 63.24 O ATOM 1052 OE2 GLU A 65 3.391 -13.244 -7.823 1.00 12.23 O ATOM 0 H GLU A 65 -1.526 -11.463 -6.436 1.00 41.24 H new ATOM 0 HA GLU A 65 -2.092 -13.745 -8.222 1.00 61.54 H new ATOM 0 HB2 GLU A 65 -0.330 -12.701 -9.145 1.00 0.13 H new ATOM 0 HB3 GLU A 65 -0.084 -11.697 -7.730 1.00 0.13 H new ATOM 0 HG2 GLU A 65 1.139 -13.561 -6.678 1.00 33.13 H new ATOM 0 HG3 GLU A 65 0.968 -14.469 -8.168 1.00 33.13 H new ATOM 1059 N LYS A 66 -1.284 -14.254 -5.158 1.00 12.51 N ATOM 1060 CA LYS A 66 -1.228 -15.333 -4.178 1.00 35.32 C ATOM 1061 C LYS A 66 -2.656 -15.640 -3.602 1.00 62.50 C ATOM 1062 O LYS A 66 -2.756 -16.357 -2.608 1.00 23.31 O ATOM 1063 CB LYS A 66 -0.201 -14.996 -3.023 1.00 74.24 C ATOM 1064 CG LYS A 66 1.251 -14.612 -3.437 1.00 34.20 C ATOM 1065 CD LYS A 66 1.897 -15.512 -4.525 1.00 21.10 C ATOM 1066 CE LYS A 66 3.337 -15.094 -4.857 1.00 52.53 C ATOM 1067 NZ LYS A 66 3.880 -15.857 -6.016 1.00 33.22 N ATOM 0 H LYS A 66 -1.324 -13.318 -4.755 1.00 12.51 H new ATOM 0 HA LYS A 66 -0.874 -16.232 -4.683 1.00 35.32 H new ATOM 0 HB2 LYS A 66 -0.612 -14.173 -2.438 1.00 74.24 H new ATOM 0 HB3 LYS A 66 -0.144 -15.860 -2.362 1.00 74.24 H new ATOM 0 HG2 LYS A 66 1.247 -13.583 -3.797 1.00 34.20 H new ATOM 0 HG3 LYS A 66 1.882 -14.637 -2.548 1.00 34.20 H new ATOM 0 HD2 LYS A 66 1.892 -16.548 -4.185 1.00 21.10 H new ATOM 0 HD3 LYS A 66 1.293 -15.471 -5.431 1.00 21.10 H new ATOM 0 HE2 LYS A 66 3.364 -14.027 -5.079 1.00 52.53 H new ATOM 0 HE3 LYS A 66 3.972 -15.255 -3.986 1.00 52.53 H new ATOM 0 HZ1 LYS A 66 4.858 -16.147 -5.813 1.00 33.22 H new ATOM 0 HZ2 LYS A 66 3.296 -16.702 -6.180 1.00 33.22 H new ATOM 0 HZ3 LYS A 66 3.866 -15.256 -6.865 1.00 33.22 H new ATOM 1081 N ASP A 67 -3.759 -15.134 -4.245 1.00 13.44 N ATOM 1082 CA ASP A 67 -5.128 -15.160 -3.647 1.00 72.42 C ATOM 1083 C ASP A 67 -5.804 -16.526 -3.723 1.00 23.51 C ATOM 1084 O ASP A 67 -5.373 -17.391 -4.501 1.00 73.23 O ATOM 1085 CB ASP A 67 -6.074 -14.010 -3.991 1.00 70.12 C ATOM 1086 CG ASP A 67 -7.051 -14.287 -5.136 1.00 22.22 C ATOM 1087 OD1 ASP A 67 -6.638 -14.283 -6.305 1.00 40.11 O ATOM 1088 OD2 ASP A 67 -8.240 -14.523 -4.848 1.00 50.41 O ATOM 0 H ASP A 67 -3.721 -14.707 -5.171 1.00 13.44 H new ATOM 0 HA ASP A 67 -4.902 -14.965 -2.599 1.00 72.42 H new ATOM 0 HB2 ASP A 67 -6.647 -13.754 -3.100 1.00 70.12 H new ATOM 0 HB3 ASP A 67 -5.477 -13.135 -4.248 1.00 70.12 H new ATOM 1093 N GLY A 68 -6.855 -16.739 -2.923 1.00 61.52 N ATOM 1094 CA GLY A 68 -7.252 -18.081 -2.597 1.00 13.14 C ATOM 1095 C GLY A 68 -7.174 -18.430 -1.136 1.00 73.13 C ATOM 1096 O GLY A 68 -6.843 -19.572 -0.836 1.00 21.31 O ATOM 0 H GLY A 68 -7.426 -16.004 -2.505 1.00 61.52 H new ATOM 0 HA2 GLY A 68 -8.276 -18.234 -2.937 1.00 13.14 H new ATOM 0 HA3 GLY A 68 -6.624 -18.775 -3.155 1.00 13.14 H new ATOM 1100 N CYS A 69 -7.359 -17.416 -0.214 1.00 41.43 N ATOM 1101 CA CYS A 69 -7.495 -17.735 1.225 1.00 43.20 C ATOM 1102 C CYS A 69 -8.563 -18.810 1.432 1.00 53.30 C ATOM 1103 O CYS A 69 -9.715 -18.678 1.015 1.00 45.22 O ATOM 1104 CB CYS A 69 -7.938 -16.518 2.082 1.00 63.03 C ATOM 1105 SG CYS A 69 -8.209 -16.902 3.830 1.00 61.22 S ATOM 0 H CYS A 69 -7.413 -16.424 -0.445 1.00 41.43 H new ATOM 0 HA CYS A 69 -6.505 -18.064 1.541 1.00 43.20 H new ATOM 0 HB2 CYS A 69 -7.180 -15.739 2.006 1.00 63.03 H new ATOM 0 HB3 CYS A 69 -8.858 -16.109 1.664 1.00 63.03 H new ATOM 0 HG CYS A 69 -7.776 -18.101 4.083 1.00 61.22 H new ATOM 1111 N ASP A 70 -8.125 -19.862 2.128 1.00 63.30 N ATOM 1112 CA ASP A 70 -8.939 -21.032 2.371 1.00 12.52 C ATOM 1113 C ASP A 70 -8.844 -21.498 3.837 1.00 51.50 C ATOM 1114 O ASP A 70 -7.741 -21.477 4.430 1.00 1.14 O ATOM 1115 CB ASP A 70 -8.566 -22.161 1.415 1.00 70.10 C ATOM 1116 CG ASP A 70 -9.483 -22.207 0.216 1.00 21.34 C ATOM 1117 OD1 ASP A 70 -10.631 -22.672 0.368 1.00 21.21 O ATOM 1118 OD2 ASP A 70 -9.050 -21.810 -0.887 1.00 13.23 O ATOM 0 H ASP A 70 -7.192 -19.916 2.536 1.00 63.30 H new ATOM 0 HA ASP A 70 -9.976 -20.754 2.184 1.00 12.52 H new ATOM 0 HB2 ASP A 70 -7.537 -22.029 1.081 1.00 70.10 H new ATOM 0 HB3 ASP A 70 -8.610 -23.114 1.943 1.00 70.10 H new ATOM 1123 N PHE A 71 -9.987 -21.973 4.372 1.00 64.24 N ATOM 1124 CA PHE A 71 -10.235 -22.176 5.792 1.00 32.32 C ATOM 1125 C PHE A 71 -11.325 -23.252 5.900 1.00 42.25 C ATOM 1126 O PHE A 71 -12.155 -23.313 4.992 1.00 42.24 O ATOM 1127 CB PHE A 71 -10.612 -20.864 6.522 1.00 51.43 C ATOM 1128 CG PHE A 71 -10.461 -20.935 8.027 1.00 75.15 C ATOM 1129 CD1 PHE A 71 -9.318 -21.483 8.607 1.00 44.21 C ATOM 1130 CD2 PHE A 71 -11.464 -20.472 8.858 1.00 12.23 C ATOM 1131 CE1 PHE A 71 -9.187 -21.563 9.978 1.00 33.12 C ATOM 1132 CE2 PHE A 71 -11.338 -20.555 10.229 1.00 74.32 C ATOM 1133 CZ PHE A 71 -10.199 -21.100 10.791 1.00 22.32 C ATOM 0 H PHE A 71 -10.786 -22.232 3.794 1.00 64.24 H new ATOM 0 HA PHE A 71 -9.327 -22.508 6.295 1.00 32.32 H new ATOM 0 HB2 PHE A 71 -9.988 -20.056 6.142 1.00 51.43 H new ATOM 0 HB3 PHE A 71 -11.644 -20.610 6.282 1.00 51.43 H new ATOM 0 HD1 PHE A 71 -8.524 -21.850 7.974 1.00 44.21 H new ATOM 0 HD2 PHE A 71 -12.356 -20.040 8.429 1.00 12.23 H new ATOM 0 HE1 PHE A 71 -8.294 -21.987 10.413 1.00 33.12 H new ATOM 0 HE2 PHE A 71 -12.132 -20.193 10.865 1.00 74.32 H new ATOM 0 HZ PHE A 71 -10.102 -21.163 11.865 1.00 22.32 H new ATOM 1143 N GLU A 72 -11.270 -24.132 6.930 1.00 44.35 N ATOM 1144 CA GLU A 72 -12.281 -25.240 7.122 1.00 51.10 C ATOM 1145 C GLU A 72 -12.122 -26.357 6.059 1.00 4.11 C ATOM 1146 O GLU A 72 -12.973 -26.545 5.187 1.00 44.03 O ATOM 1147 CB GLU A 72 -13.806 -24.804 7.124 1.00 54.55 C ATOM 1148 CG GLU A 72 -14.255 -23.543 7.908 1.00 24.04 C ATOM 1149 CD GLU A 72 -15.758 -23.339 7.833 1.00 34.21 C ATOM 1150 OE1 GLU A 72 -16.241 -22.899 6.766 1.00 5.01 O ATOM 1151 OE2 GLU A 72 -16.448 -23.594 8.843 1.00 2.41 O ATOM 0 H GLU A 72 -10.545 -24.109 7.647 1.00 44.35 H new ATOM 0 HA GLU A 72 -12.046 -25.595 8.125 1.00 51.10 H new ATOM 0 HB2 GLU A 72 -14.103 -24.662 6.085 1.00 54.55 H new ATOM 0 HB3 GLU A 72 -14.383 -25.646 7.508 1.00 54.55 H new ATOM 0 HG2 GLU A 72 -13.952 -23.636 8.951 1.00 24.04 H new ATOM 0 HG3 GLU A 72 -13.748 -22.665 7.506 1.00 24.04 H new ATOM 1158 N GLY A 73 -10.982 -27.054 6.114 1.00 31.11 N ATOM 1159 CA GLY A 73 -10.751 -28.218 5.255 1.00 4.15 C ATOM 1160 C GLY A 73 -9.936 -27.993 3.994 1.00 41.51 C ATOM 1161 O GLY A 73 -9.499 -28.969 3.384 1.00 1.34 O ATOM 0 H GLY A 73 -10.209 -26.833 6.742 1.00 31.11 H new ATOM 0 HA2 GLY A 73 -10.252 -28.984 5.849 1.00 4.15 H new ATOM 0 HA3 GLY A 73 -11.721 -28.622 4.964 1.00 4.15 H new ATOM 1165 N ASN A 74 -9.713 -26.757 3.588 1.00 70.31 N ATOM 1166 CA ASN A 74 -8.628 -26.481 2.644 1.00 42.44 C ATOM 1167 C ASN A 74 -7.729 -25.461 3.324 1.00 64.21 C ATOM 1168 O ASN A 74 -8.232 -24.479 3.840 1.00 31.13 O ATOM 1169 CB ASN A 74 -9.127 -26.028 1.229 1.00 41.33 C ATOM 1170 CG ASN A 74 -7.979 -25.863 0.240 1.00 63.23 C ATOM 1171 OD1 ASN A 74 -6.957 -26.548 0.331 1.00 21.21 O ATOM 1172 ND2 ASN A 74 -8.144 -24.977 -0.719 1.00 40.32 N ATOM 0 H ASN A 74 -10.249 -25.941 3.884 1.00 70.31 H new ATOM 0 HA ASN A 74 -8.075 -27.393 2.420 1.00 42.44 H new ATOM 0 HB2 ASN A 74 -9.834 -26.762 0.843 1.00 41.33 H new ATOM 0 HB3 ASN A 74 -9.665 -25.084 1.320 1.00 41.33 H new ATOM 0 HD21 ASN A 74 -7.414 -24.840 -1.418 1.00 40.32 H new ATOM 0 HD22 ASN A 74 -9.002 -24.428 -0.764 1.00 40.32 H new ATOM 1179 N LYS A 75 -6.436 -25.738 3.450 1.00 55.01 N ATOM 1180 CA LYS A 75 -5.569 -24.838 4.258 1.00 60.31 C ATOM 1181 C LYS A 75 -4.796 -23.854 3.335 1.00 13.33 C ATOM 1182 O LYS A 75 -3.846 -24.305 2.690 1.00 73.22 O ATOM 1183 CB LYS A 75 -4.570 -25.653 5.184 1.00 12.12 C ATOM 1184 CG LYS A 75 -4.716 -25.469 6.733 1.00 10.41 C ATOM 1185 CD LYS A 75 -5.224 -26.718 7.515 1.00 31.43 C ATOM 1186 CE LYS A 75 -6.682 -26.569 7.977 1.00 72.41 C ATOM 1187 NZ LYS A 75 -6.745 -26.157 9.399 1.00 4.02 N ATOM 0 H LYS A 75 -5.965 -26.539 3.030 1.00 55.01 H new ATOM 0 HA LYS A 75 -6.217 -24.260 4.917 1.00 60.31 H new ATOM 0 HB2 LYS A 75 -4.688 -26.713 4.957 1.00 12.12 H new ATOM 0 HB3 LYS A 75 -3.552 -25.379 4.906 1.00 12.12 H new ATOM 0 HG2 LYS A 75 -3.747 -25.178 7.139 1.00 10.41 H new ATOM 0 HG3 LYS A 75 -5.401 -24.642 6.920 1.00 10.41 H new ATOM 0 HD2 LYS A 75 -5.135 -27.600 6.881 1.00 31.43 H new ATOM 0 HD3 LYS A 75 -4.586 -26.884 8.383 1.00 31.43 H new ATOM 0 HE2 LYS A 75 -7.191 -25.831 7.357 1.00 72.41 H new ATOM 0 HE3 LYS A 75 -7.209 -27.514 7.844 1.00 72.41 H new ATOM 0 HZ1 LYS A 75 -7.739 -26.063 9.689 1.00 4.02 H new ATOM 0 HZ2 LYS A 75 -6.279 -26.875 9.989 1.00 4.02 H new ATOM 0 HZ3 LYS A 75 -6.261 -25.244 9.518 1.00 4.02 H new ATOM 1201 N LEU A 76 -5.157 -22.519 3.256 1.00 12.44 N ATOM 1202 CA LEU A 76 -4.393 -21.571 2.371 1.00 31.05 C ATOM 1203 C LEU A 76 -4.756 -20.059 2.603 1.00 5.02 C ATOM 1204 O LEU A 76 -5.274 -19.472 1.707 1.00 62.31 O ATOM 1205 CB LEU A 76 -4.648 -21.896 0.860 1.00 24.13 C ATOM 1206 CG LEU A 76 -3.424 -22.336 0.051 1.00 0.01 C ATOM 1207 CD1 LEU A 76 -3.870 -23.193 -1.112 1.00 62.42 C ATOM 1208 CD2 LEU A 76 -2.636 -21.137 -0.475 1.00 61.01 C ATOM 0 H LEU A 76 -5.932 -22.099 3.769 1.00 12.44 H new ATOM 0 HA LEU A 76 -3.346 -21.716 2.637 1.00 31.05 H new ATOM 0 HB2 LEU A 76 -5.400 -22.683 0.800 1.00 24.13 H new ATOM 0 HB3 LEU A 76 -5.073 -21.012 0.386 1.00 24.13 H new ATOM 0 HG LEU A 76 -2.771 -22.906 0.712 1.00 0.01 H new ATOM 0 HD11 LEU A 76 -2.999 -23.506 -1.688 1.00 62.42 H new ATOM 0 HD12 LEU A 76 -4.392 -24.073 -0.736 1.00 62.42 H new ATOM 0 HD13 LEU A 76 -4.540 -22.618 -1.751 1.00 62.42 H new ATOM 0 HD21 LEU A 76 -1.775 -21.489 -1.044 1.00 61.01 H new ATOM 0 HD22 LEU A 76 -3.276 -20.536 -1.120 1.00 61.01 H new ATOM 0 HD23 LEU A 76 -2.294 -20.530 0.363 1.00 61.01 H new ATOM 1220 N ARG A 77 -4.415 -19.386 3.733 1.00 51.00 N ATOM 1221 CA ARG A 77 -4.900 -17.998 4.004 1.00 41.33 C ATOM 1222 C ARG A 77 -3.881 -16.915 3.482 1.00 22.01 C ATOM 1223 O ARG A 77 -2.741 -16.846 3.958 1.00 53.31 O ATOM 1224 CB ARG A 77 -5.183 -17.867 5.557 1.00 24.42 C ATOM 1225 CG ARG A 77 -4.868 -16.498 6.235 1.00 13.43 C ATOM 1226 CD ARG A 77 -5.610 -15.267 5.694 1.00 0.51 C ATOM 1227 NE ARG A 77 -6.725 -14.878 6.563 1.00 35.52 N ATOM 1228 CZ ARG A 77 -6.743 -13.785 7.343 1.00 32.12 C ATOM 1229 NH1 ARG A 77 -5.687 -12.966 7.393 1.00 65.13 N ATOM 1230 NH2 ARG A 77 -7.826 -13.515 8.067 1.00 71.34 N ATOM 0 H ARG A 77 -3.816 -19.771 4.463 1.00 51.00 H new ATOM 0 HA ARG A 77 -5.825 -17.813 3.458 1.00 41.33 H new ATOM 0 HB2 ARG A 77 -6.236 -18.092 5.727 1.00 24.42 H new ATOM 0 HB3 ARG A 77 -4.606 -18.637 6.070 1.00 24.42 H new ATOM 0 HG2 ARG A 77 -5.090 -16.587 7.298 1.00 13.43 H new ATOM 0 HG3 ARG A 77 -3.797 -16.314 6.147 1.00 13.43 H new ATOM 0 HD2 ARG A 77 -4.913 -14.434 5.602 1.00 0.51 H new ATOM 0 HD3 ARG A 77 -5.986 -15.480 4.693 1.00 0.51 H new ATOM 0 HE ARG A 77 -7.547 -15.482 6.576 1.00 35.52 H new ATOM 0 HH11 ARG A 77 -4.857 -13.169 6.835 1.00 65.13 H new ATOM 0 HH12 ARG A 77 -5.711 -12.138 7.989 1.00 65.13 H new ATOM 0 HH21 ARG A 77 -8.634 -14.136 8.027 1.00 71.34 H new ATOM 0 HH22 ARG A 77 -7.848 -12.687 8.662 1.00 71.34 H new ATOM 1244 N VAL A 78 -4.289 -16.039 2.509 1.00 24.12 N ATOM 1245 CA VAL A 78 -3.463 -14.854 2.173 1.00 20.22 C ATOM 1246 C VAL A 78 -4.367 -13.609 2.267 1.00 35.52 C ATOM 1247 O VAL A 78 -5.334 -13.525 1.497 1.00 0.34 O ATOM 1248 CB VAL A 78 -2.765 -14.931 0.742 1.00 2.45 C ATOM 1249 CG1 VAL A 78 -1.865 -13.719 0.549 1.00 11.50 C ATOM 1250 CG2 VAL A 78 -1.912 -16.205 0.607 1.00 62.23 C ATOM 0 H VAL A 78 -5.150 -16.132 1.969 1.00 24.12 H new ATOM 0 HA VAL A 78 -2.639 -14.808 2.885 1.00 20.22 H new ATOM 0 HB VAL A 78 -3.549 -14.950 -0.015 1.00 2.45 H new ATOM 0 HG11 VAL A 78 -1.388 -13.772 -0.430 1.00 11.50 H new ATOM 0 HG12 VAL A 78 -2.462 -12.809 0.613 1.00 11.50 H new ATOM 0 HG13 VAL A 78 -1.100 -13.707 1.325 1.00 11.50 H new ATOM 0 HG21 VAL A 78 -1.449 -16.230 -0.379 1.00 62.23 H new ATOM 0 HG22 VAL A 78 -1.136 -16.206 1.373 1.00 62.23 H new ATOM 0 HG23 VAL A 78 -2.546 -17.083 0.732 1.00 62.23 H new ATOM 1260 N GLU A 79 -4.106 -12.646 3.206 1.00 44.44 N ATOM 1261 CA GLU A 79 -4.980 -11.487 3.297 1.00 32.42 C ATOM 1262 C GLU A 79 -4.227 -10.250 3.784 1.00 62.23 C ATOM 1263 O GLU A 79 -3.386 -10.315 4.712 1.00 65.01 O ATOM 1264 CB GLU A 79 -6.129 -11.838 4.243 1.00 25.43 C ATOM 1265 CG GLU A 79 -7.515 -11.427 3.766 1.00 51.23 C ATOM 1266 CD GLU A 79 -8.580 -11.748 4.786 1.00 14.44 C ATOM 1267 OE1 GLU A 79 -8.809 -10.907 5.682 1.00 64.15 O ATOM 1268 OE2 GLU A 79 -9.169 -12.853 4.716 1.00 14.33 O ATOM 0 H GLU A 79 -3.331 -12.666 3.869 1.00 44.44 H new ATOM 0 HA GLU A 79 -5.367 -11.242 2.308 1.00 32.42 H new ATOM 0 HB2 GLU A 79 -6.125 -12.915 4.409 1.00 25.43 H new ATOM 0 HB3 GLU A 79 -5.940 -11.366 5.207 1.00 25.43 H new ATOM 0 HG2 GLU A 79 -7.524 -10.357 3.556 1.00 51.23 H new ATOM 0 HG3 GLU A 79 -7.743 -11.937 2.830 1.00 51.23 H new ATOM 1275 N VAL A 80 -4.519 -9.115 3.144 1.00 63.41 N ATOM 1276 CA VAL A 80 -4.047 -7.830 3.606 1.00 32.10 C ATOM 1277 C VAL A 80 -5.069 -7.197 4.565 1.00 43.31 C ATOM 1278 O VAL A 80 -6.267 -7.147 4.282 1.00 23.21 O ATOM 1279 CB VAL A 80 -3.710 -6.863 2.423 1.00 44.33 C ATOM 1280 CG1 VAL A 80 -2.590 -7.442 1.578 1.00 32.31 C ATOM 1281 CG2 VAL A 80 -4.911 -6.547 1.537 1.00 52.51 C ATOM 0 H VAL A 80 -5.086 -9.072 2.297 1.00 63.41 H new ATOM 0 HA VAL A 80 -3.117 -7.998 4.148 1.00 32.10 H new ATOM 0 HB VAL A 80 -3.396 -5.923 2.876 1.00 44.33 H new ATOM 0 HG11 VAL A 80 -2.364 -6.761 0.758 1.00 32.31 H new ATOM 0 HG12 VAL A 80 -1.701 -7.576 2.194 1.00 32.31 H new ATOM 0 HG13 VAL A 80 -2.900 -8.406 1.174 1.00 32.31 H new ATOM 0 HG21 VAL A 80 -4.606 -5.872 0.738 1.00 52.51 H new ATOM 0 HG22 VAL A 80 -5.297 -7.470 1.105 1.00 52.51 H new ATOM 0 HG23 VAL A 80 -5.689 -6.073 2.135 1.00 52.51 H new ATOM 1291 N PRO A 81 -4.622 -6.768 5.755 1.00 64.13 N ATOM 1292 CA PRO A 81 -5.380 -5.831 6.579 1.00 20.32 C ATOM 1293 C PRO A 81 -5.083 -4.350 6.220 1.00 71.24 C ATOM 1294 O PRO A 81 -5.152 -3.475 7.087 1.00 3.44 O ATOM 1295 CB PRO A 81 -4.921 -6.173 8.008 1.00 54.42 C ATOM 1296 CG PRO A 81 -3.569 -6.799 7.873 1.00 1.45 C ATOM 1297 CD PRO A 81 -3.422 -7.263 6.443 1.00 11.31 C ATOM 0 HA PRO A 81 -6.456 -5.927 6.437 1.00 20.32 H new ATOM 0 HB2 PRO A 81 -4.875 -5.277 8.627 1.00 54.42 H new ATOM 0 HB3 PRO A 81 -5.621 -6.857 8.488 1.00 54.42 H new ATOM 0 HG2 PRO A 81 -2.788 -6.082 8.125 1.00 1.45 H new ATOM 0 HG3 PRO A 81 -3.465 -7.638 8.561 1.00 1.45 H new ATOM 0 HD2 PRO A 81 -2.515 -6.863 5.990 1.00 11.31 H new ATOM 0 HD3 PRO A 81 -3.355 -8.349 6.386 1.00 11.31 H new ATOM 1305 N PHE A 82 -4.771 -4.079 4.939 1.00 11.11 N ATOM 1306 CA PHE A 82 -4.579 -2.698 4.473 1.00 52.23 C ATOM 1307 C PHE A 82 -5.562 -2.342 3.352 1.00 74.33 C ATOM 1308 O PHE A 82 -5.962 -1.183 3.230 1.00 22.02 O ATOM 1309 CB PHE A 82 -3.095 -2.370 4.065 1.00 70.24 C ATOM 1310 CG PHE A 82 -2.440 -3.133 2.905 1.00 73.14 C ATOM 1311 CD1 PHE A 82 -2.919 -3.039 1.603 1.00 51.44 C ATOM 1312 CD2 PHE A 82 -1.289 -3.856 3.114 1.00 63.12 C ATOM 1313 CE1 PHE A 82 -2.279 -3.662 0.553 1.00 4.11 C ATOM 1314 CE2 PHE A 82 -0.636 -4.460 2.071 1.00 1.41 C ATOM 1315 CZ PHE A 82 -1.127 -4.370 0.784 1.00 54.01 C ATOM 0 H PHE A 82 -4.648 -4.790 4.218 1.00 11.11 H new ATOM 0 HA PHE A 82 -4.797 -2.063 5.331 1.00 52.23 H new ATOM 0 HB2 PHE A 82 -3.051 -1.308 3.823 1.00 70.24 H new ATOM 0 HB3 PHE A 82 -2.473 -2.522 4.947 1.00 70.24 H new ATOM 0 HD1 PHE A 82 -3.813 -2.465 1.410 1.00 51.44 H new ATOM 0 HD2 PHE A 82 -0.894 -3.949 4.115 1.00 63.12 H new ATOM 0 HE1 PHE A 82 -2.683 -3.593 -0.446 1.00 4.11 H new ATOM 0 HE2 PHE A 82 0.273 -5.013 2.258 1.00 1.41 H new ATOM 0 HZ PHE A 82 -0.610 -4.852 -0.032 1.00 54.01 H new ATOM 1325 N ASN A 83 -5.933 -3.373 2.563 1.00 61.21 N ATOM 1326 CA ASN A 83 -6.781 -3.283 1.333 1.00 61.41 C ATOM 1327 C ASN A 83 -6.073 -2.591 0.146 1.00 34.02 C ATOM 1328 O ASN A 83 -5.943 -3.200 -0.916 1.00 43.32 O ATOM 1329 CB ASN A 83 -8.186 -2.671 1.594 1.00 21.12 C ATOM 1330 CG ASN A 83 -8.993 -3.476 2.605 1.00 2.23 C ATOM 1331 OD1 ASN A 83 -8.911 -3.251 3.812 1.00 51.22 O ATOM 1332 ND2 ASN A 83 -9.792 -4.414 2.112 1.00 43.44 N ATOM 0 H ASN A 83 -5.645 -4.331 2.764 1.00 61.21 H new ATOM 0 HA ASN A 83 -6.941 -4.320 1.039 1.00 61.41 H new ATOM 0 HB2 ASN A 83 -8.072 -1.649 1.955 1.00 21.12 H new ATOM 0 HB3 ASN A 83 -8.736 -2.618 0.654 1.00 21.12 H new ATOM 0 HD21 ASN A 83 -10.365 -4.977 2.740 1.00 43.44 H new ATOM 0 HD22 ASN A 83 -9.833 -4.571 1.105 1.00 43.44 H new ATOM 1339 N ALA A 84 -5.559 -1.368 0.356 1.00 63.31 N ATOM 1340 CA ALA A 84 -4.921 -0.538 -0.688 1.00 61.20 C ATOM 1341 C ALA A 84 -4.363 0.722 -0.012 1.00 54.24 C ATOM 1342 O ALA A 84 -4.455 0.837 1.213 1.00 20.41 O ATOM 1343 CB ALA A 84 -5.910 -0.164 -1.812 1.00 14.32 C ATOM 0 H ALA A 84 -5.574 -0.917 1.271 1.00 63.31 H new ATOM 0 HA ALA A 84 -4.119 -1.105 -1.161 1.00 61.20 H new ATOM 0 HB1 ALA A 84 -5.400 0.446 -2.558 1.00 14.32 H new ATOM 0 HB2 ALA A 84 -6.287 -1.072 -2.282 1.00 14.32 H new ATOM 0 HB3 ALA A 84 -6.743 0.399 -1.391 1.00 14.32 H new ATOM 1349 N ARG A 85 -3.765 1.664 -0.769 1.00 50.34 N ATOM 1350 CA ARG A 85 -3.321 2.935 -0.144 1.00 44.10 C ATOM 1351 C ARG A 85 -4.500 3.934 -0.182 1.00 10.40 C ATOM 1352 O ARG A 85 -5.355 3.814 -1.057 1.00 52.12 O ATOM 1353 CB ARG A 85 -2.081 3.582 -0.843 1.00 64.25 C ATOM 1354 CG ARG A 85 -1.400 4.694 -0.002 1.00 41.32 C ATOM 1355 CD ARG A 85 -1.265 6.008 -0.763 1.00 24.44 C ATOM 1356 NE ARG A 85 -0.253 6.867 -0.140 1.00 4.32 N ATOM 1357 CZ ARG A 85 -0.495 7.901 0.674 1.00 53.40 C ATOM 1358 NH1 ARG A 85 -1.731 8.274 0.999 1.00 41.00 N ATOM 1359 NH2 ARG A 85 0.528 8.568 1.175 1.00 23.23 N ATOM 0 H ARG A 85 -3.582 1.582 -1.769 1.00 50.34 H new ATOM 0 HA ARG A 85 -3.014 2.702 0.876 1.00 44.10 H new ATOM 0 HB2 ARG A 85 -1.350 2.803 -1.059 1.00 64.25 H new ATOM 0 HB3 ARG A 85 -2.392 4.002 -1.800 1.00 64.25 H new ATOM 0 HG2 ARG A 85 -1.979 4.863 0.906 1.00 41.32 H new ATOM 0 HG3 ARG A 85 -0.411 4.355 0.308 1.00 41.32 H new ATOM 0 HD2 ARG A 85 -0.991 5.807 -1.799 1.00 24.44 H new ATOM 0 HD3 ARG A 85 -2.225 6.524 -0.781 1.00 24.44 H new ATOM 0 HE ARG A 85 0.724 6.657 -0.346 1.00 4.32 H new ATOM 0 HH11 ARG A 85 -2.532 7.766 0.624 1.00 41.00 H new ATOM 0 HH12 ARG A 85 -1.877 9.068 1.623 1.00 41.00 H new ATOM 0 HH21 ARG A 85 1.481 8.292 0.940 1.00 23.23 H new ATOM 0 HH22 ARG A 85 0.365 9.359 1.798 1.00 23.23 H new ATOM 1373 N GLU A 86 -4.538 4.929 0.726 1.00 61.30 N ATOM 1374 CA GLU A 86 -5.635 5.889 0.767 1.00 42.12 C ATOM 1375 C GLU A 86 -5.259 7.104 -0.087 1.00 2.14 C ATOM 1376 O GLU A 86 -4.563 8.002 0.438 1.00 5.23 O ATOM 1377 CB GLU A 86 -5.894 6.305 2.220 1.00 21.43 C ATOM 1378 CG GLU A 86 -7.239 6.995 2.467 1.00 5.22 C ATOM 1379 CD GLU A 86 -8.315 6.016 2.892 1.00 43.22 C ATOM 1380 OE1 GLU A 86 -8.404 5.725 4.111 1.00 50.24 O ATOM 1381 OE2 GLU A 86 -9.083 5.556 2.024 1.00 51.13 O ATOM 1382 OXT GLU A 86 -5.602 7.123 -1.284 1.00 37.25 O ATOM 0 H GLU A 86 -3.820 5.080 1.434 1.00 61.30 H new ATOM 0 HA GLU A 86 -6.546 5.443 0.369 1.00 42.12 H new ATOM 0 HB2 GLU A 86 -5.836 5.418 2.851 1.00 21.43 H new ATOM 0 HB3 GLU A 86 -5.095 6.975 2.538 1.00 21.43 H new ATOM 0 HG2 GLU A 86 -7.119 7.757 3.237 1.00 5.22 H new ATOM 0 HG3 GLU A 86 -7.555 7.508 1.558 1.00 5.22 H new TER 1389 GLU A 86