USER MOD reduce.3.24.130724 H: found=0, std=0, add=714, rem=0, adj=26 USER MOD reduce.3.24.130724 removed 711 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 75 ASN : amide:sc= 0.698 K(o=-0.053,f=-1.6) USER MOD Set 1.2: A 86 GLN : amide:sc= -0.751 K(o=-0.053,f=-1.6) USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.098 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= -0.217 USER MOD Single : A 9 SER OG : rot 29:sc= 1.07 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 17 THR OG1 : rot -31:sc= 0.879 USER MOD Single : A 21 SER OG : rot 180:sc= 0 USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 24 THR OG1 : rot 180:sc= 0.16 USER MOD Single : A 26 SER OG : rot -160:sc= 0 USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 SER OG : rot 180:sc= 0.00491 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 51 SER OG : rot -48:sc= 0.00177 USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 57 MET CE :methyl 169:sc= -1.55 (180deg=-1.64) USER MOD Single : A 58 ASN :FLIP amide:sc= -1.09 F(o=-2.7!,f=-1.1) USER MOD Single : A 59 ASN : amide:sc= -1.32 K(o=-1.3,f=-4.7!) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 162:sc= 0.0867 (180deg=0.00916) USER MOD Single : A 68 SER OG : rot 180:sc= 0 USER MOD Single : A 69 LYS NZ :NH3+ 152:sc= -0.089 (180deg=-0.604) USER MOD Single : A 70 SER OG : rot 180:sc= 0.0893 USER MOD Single : A 71 GLN : amide:sc= -2.19 X(o=-2.2,f=-2.1!) USER MOD Single : A 73 MET CE :methyl -140:sc= -3.54 (180deg=-6.34!) USER MOD Single : A 74 SER OG : rot 180:sc=0.000163 USER MOD Single : A 79 ASN :FLIP amide:sc= 0.57 F(o=-0.62,f=0.57) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -34.114 16.978 -0.320 1.00 40.33 N ATOM 2 CA GLY A 1 -32.796 16.523 0.079 1.00 24.33 C ATOM 3 C GLY A 1 -31.689 17.188 -0.715 1.00 32.52 C ATOM 4 O GLY A 1 -31.953 17.939 -1.653 1.00 1.11 O ATOM 0 H1 GLY A 1 -34.579 17.443 0.486 1.00 40.33 H new ATOM 0 H2 GLY A 1 -34.025 17.654 -1.105 1.00 40.33 H new ATOM 0 H3 GLY A 1 -34.684 16.164 -0.627 1.00 40.33 H new ATOM 0 HA2 GLY A 1 -32.651 16.726 1.140 1.00 24.33 H new ATOM 0 HA3 GLY A 1 -32.733 15.443 -0.050 1.00 24.33 H new ATOM 8 N SER A 2 -30.444 16.913 -0.337 1.00 4.04 N ATOM 9 CA SER A 2 -29.292 17.494 -1.017 1.00 21.12 C ATOM 10 C SER A 2 -28.023 16.707 -0.705 1.00 5.22 C ATOM 11 O SER A 2 -27.945 16.009 0.305 1.00 70.23 O ATOM 12 CB SER A 2 -29.113 18.956 -0.604 1.00 55.30 C ATOM 13 OG SER A 2 -29.295 19.825 -1.709 1.00 51.54 O ATOM 0 H SER A 2 -30.208 16.291 0.436 1.00 4.04 H new ATOM 0 HA SER A 2 -29.473 17.447 -2.091 1.00 21.12 H new ATOM 0 HB2 SER A 2 -29.828 19.206 0.180 1.00 55.30 H new ATOM 0 HB3 SER A 2 -28.117 19.099 -0.185 1.00 55.30 H new ATOM 0 HG SER A 2 -29.177 20.753 -1.418 1.00 51.54 H new ATOM 19 N ARG A 3 -27.030 16.827 -1.581 1.00 74.22 N ATOM 20 CA ARG A 3 -25.765 16.126 -1.401 1.00 62.52 C ATOM 21 C ARG A 3 -24.721 16.623 -2.398 1.00 13.32 C ATOM 22 O ARG A 3 -25.046 16.958 -3.537 1.00 55.25 O ATOM 23 CB ARG A 3 -25.964 14.618 -1.565 1.00 20.40 C ATOM 24 CG ARG A 3 -26.453 14.215 -2.946 1.00 50.21 C ATOM 25 CD ARG A 3 -27.487 13.102 -2.869 1.00 11.22 C ATOM 26 NE ARG A 3 -26.925 11.870 -2.324 1.00 33.22 N ATOM 27 CZ ARG A 3 -27.522 10.686 -2.416 1.00 3.14 C ATOM 28 NH1 ARG A 3 -28.693 10.577 -3.028 1.00 14.02 N ATOM 29 NH2 ARG A 3 -26.947 9.610 -1.895 1.00 71.31 N ATOM 0 H ARG A 3 -27.078 17.403 -2.422 1.00 74.22 H new ATOM 0 HA ARG A 3 -25.406 16.331 -0.392 1.00 62.52 H new ATOM 0 HB2 ARG A 3 -25.021 14.111 -1.361 1.00 20.40 H new ATOM 0 HB3 ARG A 3 -26.680 14.271 -0.820 1.00 20.40 H new ATOM 0 HG2 ARG A 3 -26.886 15.081 -3.447 1.00 50.21 H new ATOM 0 HG3 ARG A 3 -25.608 13.886 -3.551 1.00 50.21 H new ATOM 0 HD2 ARG A 3 -28.322 13.425 -2.248 1.00 11.22 H new ATOM 0 HD3 ARG A 3 -27.887 12.909 -3.865 1.00 11.22 H new ATOM 0 HE ARG A 3 -26.025 11.920 -1.847 1.00 33.22 H new ATOM 0 HH11 ARG A 3 -29.137 11.403 -3.429 1.00 14.02 H new ATOM 0 HH12 ARG A 3 -29.149 9.667 -3.098 1.00 14.02 H new ATOM 0 HH21 ARG A 3 -26.046 9.691 -1.423 1.00 71.31 H new ATOM 0 HH22 ARG A 3 -27.406 8.702 -1.966 1.00 71.31 H new ATOM 43 N ARG A 4 -23.468 16.670 -1.960 1.00 64.51 N ATOM 44 CA ARG A 4 -22.377 17.128 -2.813 1.00 61.14 C ATOM 45 C ARG A 4 -21.085 16.386 -2.488 1.00 71.45 C ATOM 46 O ARG A 4 -20.404 16.700 -1.512 1.00 43.44 O ATOM 47 CB ARG A 4 -22.168 18.634 -2.645 1.00 41.33 C ATOM 48 CG ARG A 4 -22.170 19.399 -3.958 1.00 61.33 C ATOM 49 CD ARG A 4 -22.342 20.893 -3.733 1.00 72.41 C ATOM 50 NE ARG A 4 -21.128 21.638 -4.056 1.00 24.14 N ATOM 51 CZ ARG A 4 -20.773 21.962 -5.296 1.00 34.35 C ATOM 52 NH1 ARG A 4 -21.535 21.608 -6.321 1.00 31.41 N ATOM 53 NH2 ARG A 4 -19.654 22.641 -5.509 1.00 3.12 N ATOM 0 H ARG A 4 -23.182 16.397 -1.020 1.00 64.51 H new ATOM 0 HA ARG A 4 -22.646 16.918 -3.848 1.00 61.14 H new ATOM 0 HB2 ARG A 4 -22.953 19.032 -2.001 1.00 41.33 H new ATOM 0 HB3 ARG A 4 -21.220 18.806 -2.135 1.00 41.33 H new ATOM 0 HG2 ARG A 4 -21.236 19.215 -4.489 1.00 61.33 H new ATOM 0 HG3 ARG A 4 -22.975 19.031 -4.594 1.00 61.33 H new ATOM 0 HD2 ARG A 4 -23.166 21.259 -4.345 1.00 72.41 H new ATOM 0 HD3 ARG A 4 -22.613 21.074 -2.693 1.00 72.41 H new ATOM 0 HE ARG A 4 -20.520 21.925 -3.289 1.00 24.14 H new ATOM 0 HH11 ARG A 4 -22.396 21.086 -6.160 1.00 31.41 H new ATOM 0 HH12 ARG A 4 -21.260 21.858 -7.271 1.00 31.41 H new ATOM 0 HH21 ARG A 4 -19.066 22.915 -4.722 1.00 3.12 H new ATOM 0 HH22 ARG A 4 -19.381 22.890 -6.460 1.00 3.12 H new ATOM 67 N ALA A 5 -20.752 15.398 -3.314 1.00 70.23 N ATOM 68 CA ALA A 5 -19.541 14.612 -3.116 1.00 70.12 C ATOM 69 C ALA A 5 -18.506 14.918 -4.193 1.00 74.32 C ATOM 70 O ALA A 5 -18.850 15.135 -5.354 1.00 3.11 O ATOM 71 CB ALA A 5 -19.872 13.126 -3.105 1.00 23.44 C ATOM 0 H ALA A 5 -21.305 15.124 -4.126 1.00 70.23 H new ATOM 0 HA ALA A 5 -19.114 14.885 -2.151 1.00 70.12 H new ATOM 0 HB1 ALA A 5 -18.958 12.551 -2.956 1.00 23.44 H new ATOM 0 HB2 ALA A 5 -20.570 12.915 -2.295 1.00 23.44 H new ATOM 0 HB3 ALA A 5 -20.325 12.847 -4.056 1.00 23.44 H new ATOM 77 N SER A 6 -17.236 14.932 -3.800 1.00 35.03 N ATOM 78 CA SER A 6 -16.150 15.216 -4.731 1.00 11.20 C ATOM 79 C SER A 6 -14.801 14.853 -4.119 1.00 15.01 C ATOM 80 O SER A 6 -14.676 14.710 -2.903 1.00 70.44 O ATOM 81 CB SER A 6 -16.163 16.694 -5.127 1.00 14.13 C ATOM 82 OG SER A 6 -17.106 17.420 -4.357 1.00 11.41 O ATOM 0 H SER A 6 -16.934 14.750 -2.843 1.00 35.03 H new ATOM 0 HA SER A 6 -16.300 14.607 -5.623 1.00 11.20 H new ATOM 0 HB2 SER A 6 -15.169 17.120 -4.987 1.00 14.13 H new ATOM 0 HB3 SER A 6 -16.404 16.788 -6.186 1.00 14.13 H new ATOM 0 HG SER A 6 -17.094 18.362 -4.628 1.00 11.41 H new ATOM 88 N VAL A 7 -13.792 14.707 -4.972 1.00 2.13 N ATOM 89 CA VAL A 7 -12.450 14.361 -4.517 1.00 14.45 C ATOM 90 C VAL A 7 -11.388 14.969 -5.427 1.00 55.24 C ATOM 91 O VAL A 7 -11.545 15.000 -6.647 1.00 11.34 O ATOM 92 CB VAL A 7 -12.251 12.836 -4.461 1.00 44.21 C ATOM 93 CG1 VAL A 7 -10.841 12.496 -4.006 1.00 30.54 C ATOM 94 CG2 VAL A 7 -13.284 12.197 -3.545 1.00 11.34 C ATOM 0 H VAL A 7 -13.878 14.823 -5.982 1.00 2.13 H new ATOM 0 HA VAL A 7 -12.341 14.770 -3.512 1.00 14.45 H new ATOM 0 HB VAL A 7 -12.389 12.433 -5.464 1.00 44.21 H new ATOM 0 HG11 VAL A 7 -10.721 11.413 -3.973 1.00 30.54 H new ATOM 0 HG12 VAL A 7 -10.121 12.920 -4.706 1.00 30.54 H new ATOM 0 HG13 VAL A 7 -10.669 12.911 -3.013 1.00 30.54 H new ATOM 0 HG21 VAL A 7 -13.128 11.119 -3.517 1.00 11.34 H new ATOM 0 HG22 VAL A 7 -13.180 12.604 -2.539 1.00 11.34 H new ATOM 0 HG23 VAL A 7 -14.285 12.410 -3.921 1.00 11.34 H new ATOM 104 N GLY A 8 -10.305 15.450 -4.824 1.00 24.11 N ATOM 105 CA GLY A 8 -9.232 16.049 -5.595 1.00 64.24 C ATOM 106 C GLY A 8 -8.515 15.041 -6.472 1.00 23.00 C ATOM 107 O GLY A 8 -8.920 13.882 -6.557 1.00 55.11 O ATOM 0 H GLY A 8 -10.152 15.435 -3.816 1.00 24.11 H new ATOM 0 HA2 GLY A 8 -9.638 16.845 -6.219 1.00 64.24 H new ATOM 0 HA3 GLY A 8 -8.515 16.510 -4.916 1.00 64.24 H new ATOM 111 N SER A 9 -7.447 15.483 -7.129 1.00 1.24 N ATOM 112 CA SER A 9 -6.675 14.613 -8.008 1.00 4.45 C ATOM 113 C SER A 9 -5.299 15.209 -8.291 1.00 75.35 C ATOM 114 O SER A 9 -5.173 16.400 -8.574 1.00 71.22 O ATOM 115 CB SER A 9 -7.425 14.388 -9.323 1.00 72.14 C ATOM 116 OG SER A 9 -8.388 13.356 -9.190 1.00 20.04 O ATOM 0 H SER A 9 -7.097 16.439 -7.069 1.00 1.24 H new ATOM 0 HA SER A 9 -6.541 13.656 -7.505 1.00 4.45 H new ATOM 0 HB2 SER A 9 -7.917 15.312 -9.628 1.00 72.14 H new ATOM 0 HB3 SER A 9 -6.716 14.130 -10.110 1.00 72.14 H new ATOM 0 HG SER A 9 -8.702 13.319 -8.262 1.00 20.04 H new ATOM 122 N GLU A 10 -4.271 14.370 -8.210 1.00 44.52 N ATOM 123 CA GLU A 10 -2.904 14.813 -8.456 1.00 73.14 C ATOM 124 C GLU A 10 -2.118 13.754 -9.224 1.00 63.12 C ATOM 125 O GLU A 10 -2.677 12.748 -9.663 1.00 72.44 O ATOM 126 CB GLU A 10 -2.200 15.126 -7.134 1.00 11.01 C ATOM 127 CG GLU A 10 -1.962 13.903 -6.266 1.00 55.53 C ATOM 128 CD GLU A 10 -2.529 14.059 -4.868 1.00 44.40 C ATOM 129 OE1 GLU A 10 -1.814 14.588 -3.993 1.00 31.22 O ATOM 130 OE2 GLU A 10 -3.691 13.654 -4.651 1.00 14.13 O ATOM 0 H GLU A 10 -4.359 13.381 -7.976 1.00 44.52 H new ATOM 0 HA GLU A 10 -2.947 15.719 -9.061 1.00 73.14 H new ATOM 0 HB2 GLU A 10 -1.243 15.602 -7.346 1.00 11.01 H new ATOM 0 HB3 GLU A 10 -2.798 15.846 -6.576 1.00 11.01 H new ATOM 0 HG2 GLU A 10 -2.413 13.032 -6.741 1.00 55.53 H new ATOM 0 HG3 GLU A 10 -0.891 13.712 -6.200 1.00 55.53 H new ATOM 137 N PHE A 11 -0.820 13.988 -9.383 1.00 62.22 N ATOM 138 CA PHE A 11 0.043 13.055 -10.099 1.00 15.01 C ATOM 139 C PHE A 11 -0.069 11.651 -9.513 1.00 73.21 C ATOM 140 O PHE A 11 -0.015 11.469 -8.297 1.00 52.32 O ATOM 141 CB PHE A 11 1.497 13.528 -10.044 1.00 1.03 C ATOM 142 CG PHE A 11 1.681 14.952 -10.489 1.00 31.11 C ATOM 143 CD1 PHE A 11 1.344 15.339 -11.775 1.00 3.12 C ATOM 144 CD2 PHE A 11 2.192 15.902 -9.619 1.00 2.52 C ATOM 145 CE1 PHE A 11 1.512 16.647 -12.187 1.00 1.25 C ATOM 146 CE2 PHE A 11 2.361 17.213 -10.025 1.00 64.13 C ATOM 147 CZ PHE A 11 2.023 17.586 -11.311 1.00 52.13 C ATOM 0 H PHE A 11 -0.342 14.815 -9.026 1.00 62.22 H new ATOM 0 HA PHE A 11 -0.283 13.023 -11.139 1.00 15.01 H new ATOM 0 HB2 PHE A 11 1.866 13.424 -9.024 1.00 1.03 H new ATOM 0 HB3 PHE A 11 2.106 12.878 -10.672 1.00 1.03 H new ATOM 0 HD1 PHE A 11 0.945 14.610 -12.464 1.00 3.12 H new ATOM 0 HD2 PHE A 11 2.461 15.615 -8.613 1.00 2.52 H new ATOM 0 HE1 PHE A 11 1.244 16.935 -13.193 1.00 1.25 H new ATOM 0 HE2 PHE A 11 2.757 17.945 -9.337 1.00 64.13 H new ATOM 0 HZ PHE A 11 2.158 18.609 -11.631 1.00 52.13 H new ATOM 157 N MET A 12 -0.224 10.662 -10.387 1.00 12.42 N ATOM 158 CA MET A 12 -0.343 9.274 -9.956 1.00 53.13 C ATOM 159 C MET A 12 0.110 8.322 -11.058 1.00 63.50 C ATOM 160 O MET A 12 -0.279 7.155 -11.084 1.00 53.13 O ATOM 161 CB MET A 12 -1.787 8.963 -9.560 1.00 54.14 C ATOM 162 CG MET A 12 -2.726 8.818 -10.748 1.00 74.44 C ATOM 163 SD MET A 12 -4.192 9.857 -10.605 1.00 73.43 S ATOM 164 CE MET A 12 -5.106 9.355 -12.061 1.00 64.05 C ATOM 0 H MET A 12 -0.270 10.796 -11.397 1.00 12.42 H new ATOM 0 HA MET A 12 0.303 9.132 -9.089 1.00 53.13 H new ATOM 0 HB2 MET A 12 -1.805 8.041 -8.979 1.00 54.14 H new ATOM 0 HB3 MET A 12 -2.156 9.757 -8.911 1.00 54.14 H new ATOM 0 HG2 MET A 12 -2.191 9.075 -11.662 1.00 74.44 H new ATOM 0 HG3 MET A 12 -3.032 7.776 -10.840 1.00 74.44 H new ATOM 0 HE1 MET A 12 -6.042 9.912 -12.113 1.00 64.05 H new ATOM 0 HE2 MET A 12 -4.512 9.560 -12.952 1.00 64.05 H new ATOM 0 HE3 MET A 12 -5.321 8.288 -12.006 1.00 64.05 H new ATOM 174 N VAL A 13 0.937 8.828 -11.968 1.00 4.25 N ATOM 175 CA VAL A 13 1.445 8.024 -13.073 1.00 41.55 C ATOM 176 C VAL A 13 2.968 7.968 -13.058 1.00 22.04 C ATOM 177 O VAL A 13 3.628 8.876 -12.553 1.00 14.21 O ATOM 178 CB VAL A 13 0.974 8.574 -14.432 1.00 31.34 C ATOM 179 CG1 VAL A 13 -0.510 8.313 -14.630 1.00 52.54 C ATOM 180 CG2 VAL A 13 1.281 10.061 -14.539 1.00 50.20 C ATOM 0 H VAL A 13 1.270 9.792 -11.961 1.00 4.25 H new ATOM 0 HA VAL A 13 1.047 7.018 -12.941 1.00 41.55 H new ATOM 0 HB VAL A 13 1.517 8.055 -15.222 1.00 31.34 H new ATOM 0 HG11 VAL A 13 -0.823 8.709 -15.596 1.00 52.54 H new ATOM 0 HG12 VAL A 13 -0.698 7.240 -14.600 1.00 52.54 H new ATOM 0 HG13 VAL A 13 -1.075 8.803 -13.837 1.00 52.54 H new ATOM 0 HG21 VAL A 13 0.942 10.434 -15.505 1.00 50.20 H new ATOM 0 HG22 VAL A 13 0.766 10.597 -13.742 1.00 50.20 H new ATOM 0 HG23 VAL A 13 2.356 10.218 -14.446 1.00 50.20 H new ATOM 190 N VAL A 14 3.521 6.897 -13.618 1.00 33.23 N ATOM 191 CA VAL A 14 4.968 6.724 -13.670 1.00 24.53 C ATOM 192 C VAL A 14 5.597 6.925 -12.296 1.00 42.50 C ATOM 193 O VAL A 14 6.606 7.617 -12.159 1.00 3.34 O ATOM 194 CB VAL A 14 5.614 7.705 -14.667 1.00 73.33 C ATOM 195 CG1 VAL A 14 7.014 7.242 -15.041 1.00 74.43 C ATOM 196 CG2 VAL A 14 4.745 7.856 -15.906 1.00 61.14 C ATOM 0 H VAL A 14 2.989 6.137 -14.042 1.00 33.23 H new ATOM 0 HA VAL A 14 5.153 5.703 -14.004 1.00 24.53 H new ATOM 0 HB VAL A 14 5.696 8.681 -14.188 1.00 73.33 H new ATOM 0 HG11 VAL A 14 7.454 7.947 -15.746 1.00 74.43 H new ATOM 0 HG12 VAL A 14 7.632 7.191 -14.145 1.00 74.43 H new ATOM 0 HG13 VAL A 14 6.960 6.255 -15.501 1.00 74.43 H new ATOM 0 HG21 VAL A 14 5.217 8.553 -16.599 1.00 61.14 H new ATOM 0 HG22 VAL A 14 4.629 6.886 -16.389 1.00 61.14 H new ATOM 0 HG23 VAL A 14 3.765 8.238 -15.619 1.00 61.14 H new ATOM 206 N ASP A 15 4.994 6.315 -11.281 1.00 24.22 N ATOM 207 CA ASP A 15 5.496 6.425 -9.916 1.00 43.40 C ATOM 208 C ASP A 15 5.190 5.160 -9.121 1.00 64.15 C ATOM 209 O ASP A 15 4.265 4.416 -9.449 1.00 4.52 O ATOM 210 CB ASP A 15 4.881 7.641 -9.221 1.00 71.15 C ATOM 211 CG ASP A 15 3.376 7.528 -9.082 1.00 54.41 C ATOM 212 OD1 ASP A 15 2.913 6.637 -8.338 1.00 63.15 O ATOM 213 OD2 ASP A 15 2.660 8.331 -9.715 1.00 30.13 O ATOM 0 H ASP A 15 4.157 5.740 -11.378 1.00 24.22 H new ATOM 0 HA ASP A 15 6.578 6.551 -9.961 1.00 43.40 H new ATOM 0 HB2 ASP A 15 5.327 7.755 -8.233 1.00 71.15 H new ATOM 0 HB3 ASP A 15 5.124 8.541 -9.786 1.00 71.15 H new ATOM 218 N VAL A 16 5.973 4.920 -8.075 1.00 31.53 N ATOM 219 CA VAL A 16 5.786 3.746 -7.232 1.00 51.14 C ATOM 220 C VAL A 16 4.901 4.064 -6.033 1.00 34.42 C ATOM 221 O VAL A 16 4.909 3.346 -5.033 1.00 54.40 O ATOM 222 CB VAL A 16 7.134 3.194 -6.731 1.00 54.53 C ATOM 223 CG1 VAL A 16 6.974 1.765 -6.233 1.00 31.44 C ATOM 224 CG2 VAL A 16 8.183 3.272 -7.829 1.00 61.53 C ATOM 0 H VAL A 16 6.744 5.524 -7.791 1.00 31.53 H new ATOM 0 HA VAL A 16 5.299 2.990 -7.847 1.00 51.14 H new ATOM 0 HB VAL A 16 7.471 3.808 -5.896 1.00 54.53 H new ATOM 0 HG11 VAL A 16 7.936 1.392 -5.883 1.00 31.44 H new ATOM 0 HG12 VAL A 16 6.257 1.744 -5.413 1.00 31.44 H new ATOM 0 HG13 VAL A 16 6.614 1.134 -7.046 1.00 31.44 H new ATOM 0 HG21 VAL A 16 9.129 2.878 -7.457 1.00 61.53 H new ATOM 0 HG22 VAL A 16 7.857 2.684 -8.687 1.00 61.53 H new ATOM 0 HG23 VAL A 16 8.317 4.311 -8.131 1.00 61.53 H new ATOM 234 N THR A 17 4.138 5.148 -6.138 1.00 64.14 N ATOM 235 CA THR A 17 3.247 5.563 -5.063 1.00 52.43 C ATOM 236 C THR A 17 3.990 5.644 -3.734 1.00 23.41 C ATOM 237 O THR A 17 5.216 5.539 -3.691 1.00 23.23 O ATOM 238 CB THR A 17 2.057 4.597 -4.914 1.00 52.22 C ATOM 239 OG1 THR A 17 2.469 3.416 -4.217 1.00 63.33 O ATOM 240 CG2 THR A 17 1.493 4.219 -6.276 1.00 34.54 C ATOM 0 H THR A 17 4.120 5.754 -6.958 1.00 64.14 H new ATOM 0 HA THR A 17 2.872 6.551 -5.328 1.00 52.43 H new ATOM 0 HB THR A 17 1.277 5.101 -4.343 1.00 52.22 H new ATOM 0 HG1 THR A 17 3.410 3.229 -4.418 1.00 63.33 H new ATOM 0 HG21 THR A 17 0.654 3.536 -6.145 1.00 34.54 H new ATOM 0 HG22 THR A 17 1.153 5.117 -6.791 1.00 34.54 H new ATOM 0 HG23 THR A 17 2.268 3.732 -6.868 1.00 34.54 H new ATOM 248 N ILE A 18 3.241 5.831 -2.653 1.00 34.15 N ATOM 249 CA ILE A 18 3.830 5.924 -1.323 1.00 53.44 C ATOM 250 C ILE A 18 3.582 4.651 -0.521 1.00 51.10 C ATOM 251 O ILE A 18 2.632 3.915 -0.785 1.00 35.01 O ATOM 252 CB ILE A 18 3.268 7.126 -0.541 1.00 32.45 C ATOM 253 CG1 ILE A 18 3.219 8.367 -1.436 1.00 65.13 C ATOM 254 CG2 ILE A 18 4.111 7.394 0.698 1.00 42.25 C ATOM 255 CD1 ILE A 18 1.911 8.524 -2.179 1.00 15.31 C ATOM 0 H ILE A 18 2.225 5.921 -2.672 1.00 34.15 H new ATOM 0 HA ILE A 18 4.902 6.060 -1.463 1.00 53.44 H new ATOM 0 HB ILE A 18 2.253 6.890 -0.222 1.00 32.45 H new ATOM 0 HG12 ILE A 18 3.389 9.253 -0.824 1.00 65.13 H new ATOM 0 HG13 ILE A 18 4.034 8.317 -2.158 1.00 65.13 H new ATOM 0 HG21 ILE A 18 3.701 8.246 1.240 1.00 42.25 H new ATOM 0 HG22 ILE A 18 4.100 6.515 1.343 1.00 42.25 H new ATOM 0 HG23 ILE A 18 5.136 7.613 0.400 1.00 42.25 H new ATOM 0 HD11 ILE A 18 1.947 9.424 -2.793 1.00 15.31 H new ATOM 0 HD12 ILE A 18 1.748 7.655 -2.817 1.00 15.31 H new ATOM 0 HD13 ILE A 18 1.093 8.606 -1.463 1.00 15.31 H new ATOM 267 N GLU A 19 4.444 4.397 0.459 1.00 14.04 N ATOM 268 CA GLU A 19 4.317 3.213 1.300 1.00 25.03 C ATOM 269 C GLU A 19 4.156 1.957 0.449 1.00 43.44 C ATOM 270 O GLU A 19 3.051 1.434 0.299 1.00 53.42 O ATOM 271 CB GLU A 19 3.125 3.358 2.247 1.00 41.55 C ATOM 272 CG GLU A 19 3.219 4.564 3.166 1.00 22.54 C ATOM 273 CD GLU A 19 3.073 4.197 4.629 1.00 32.00 C ATOM 274 OE1 GLU A 19 3.945 3.469 5.149 1.00 2.21 O ATOM 275 OE2 GLU A 19 2.087 4.638 5.255 1.00 71.12 O ATOM 0 H GLU A 19 5.237 4.995 0.690 1.00 14.04 H new ATOM 0 HA GLU A 19 5.229 3.117 1.889 1.00 25.03 H new ATOM 0 HB2 GLU A 19 2.211 3.432 1.658 1.00 41.55 H new ATOM 0 HB3 GLU A 19 3.042 2.456 2.853 1.00 41.55 H new ATOM 0 HG2 GLU A 19 4.179 5.058 3.014 1.00 22.54 H new ATOM 0 HG3 GLU A 19 2.445 5.282 2.897 1.00 22.54 H new ATOM 282 N ASP A 20 5.263 1.479 -0.107 1.00 31.41 N ATOM 283 CA ASP A 20 5.246 0.284 -0.942 1.00 3.34 C ATOM 284 C ASP A 20 6.390 -0.655 -0.573 1.00 51.54 C ATOM 285 O ASP A 20 7.406 -0.226 -0.027 1.00 41.24 O ATOM 286 CB ASP A 20 5.341 0.668 -2.420 1.00 21.32 C ATOM 287 CG ASP A 20 4.425 -0.165 -3.295 1.00 43.41 C ATOM 288 OD1 ASP A 20 4.714 -1.365 -3.483 1.00 74.23 O ATOM 289 OD2 ASP A 20 3.420 0.384 -3.793 1.00 14.10 O ATOM 0 H ASP A 20 6.185 1.901 0.005 1.00 31.41 H new ATOM 0 HA ASP A 20 4.304 -0.236 -0.769 1.00 3.34 H new ATOM 0 HB2 ASP A 20 5.089 1.722 -2.535 1.00 21.32 H new ATOM 0 HB3 ASP A 20 6.370 0.547 -2.758 1.00 21.32 H new ATOM 294 N SER A 21 6.216 -1.938 -0.872 1.00 63.11 N ATOM 295 CA SER A 21 7.232 -2.939 -0.568 1.00 14.54 C ATOM 296 C SER A 21 7.468 -3.031 0.937 1.00 20.13 C ATOM 297 O SER A 21 8.162 -2.197 1.520 1.00 44.11 O ATOM 298 CB SER A 21 8.542 -2.601 -1.282 1.00 52.44 C ATOM 299 OG SER A 21 8.850 -3.571 -2.267 1.00 31.12 O ATOM 0 H SER A 21 5.381 -2.309 -1.325 1.00 63.11 H new ATOM 0 HA SER A 21 6.873 -3.905 -0.923 1.00 14.54 H new ATOM 0 HB2 SER A 21 8.463 -1.618 -1.747 1.00 52.44 H new ATOM 0 HB3 SER A 21 9.352 -2.546 -0.555 1.00 52.44 H new ATOM 0 HG SER A 21 9.691 -3.332 -2.710 1.00 31.12 H new ATOM 305 N TYR A 22 6.887 -4.050 1.559 1.00 31.02 N ATOM 306 CA TYR A 22 7.031 -4.251 2.997 1.00 23.12 C ATOM 307 C TYR A 22 6.957 -5.734 3.349 1.00 33.01 C ATOM 308 O TYR A 22 7.759 -6.237 4.135 1.00 22.54 O ATOM 309 CB TYR A 22 5.948 -3.480 3.752 1.00 50.24 C ATOM 310 CG TYR A 22 6.317 -2.044 4.043 1.00 23.33 C ATOM 311 CD1 TYR A 22 6.011 -1.031 3.142 1.00 53.42 C ATOM 312 CD2 TYR A 22 6.973 -1.698 5.219 1.00 44.03 C ATOM 313 CE1 TYR A 22 6.347 0.283 3.403 1.00 11.23 C ATOM 314 CE2 TYR A 22 7.312 -0.387 5.488 1.00 14.34 C ATOM 315 CZ TYR A 22 6.997 0.600 4.578 1.00 23.53 C ATOM 316 OH TYR A 22 7.334 1.908 4.842 1.00 12.31 O ATOM 0 H TYR A 22 6.312 -4.750 1.091 1.00 31.02 H new ATOM 0 HA TYR A 22 8.009 -3.874 3.295 1.00 23.12 H new ATOM 0 HB2 TYR A 22 5.027 -3.498 3.169 1.00 50.24 H new ATOM 0 HB3 TYR A 22 5.740 -3.990 4.692 1.00 50.24 H new ATOM 0 HD1 TYR A 22 5.502 -1.276 2.222 1.00 53.42 H new ATOM 0 HD2 TYR A 22 7.222 -2.468 5.934 1.00 44.03 H new ATOM 0 HE1 TYR A 22 6.102 1.058 2.692 1.00 11.23 H new ATOM 0 HE2 TYR A 22 7.821 -0.136 6.407 1.00 14.34 H new ATOM 0 HH TYR A 22 7.785 1.961 5.710 1.00 12.31 H new ATOM 326 N SER A 23 5.988 -6.427 2.761 1.00 42.24 N ATOM 327 CA SER A 23 5.805 -7.851 3.015 1.00 63.24 C ATOM 328 C SER A 23 7.041 -8.641 2.593 1.00 42.52 C ATOM 329 O SER A 23 8.022 -8.073 2.113 1.00 71.10 O ATOM 330 CB SER A 23 4.575 -8.371 2.267 1.00 11.43 C ATOM 331 OG SER A 23 3.619 -8.905 3.167 1.00 71.41 O ATOM 0 H SER A 23 5.317 -6.026 2.105 1.00 42.24 H new ATOM 0 HA SER A 23 5.655 -7.987 4.086 1.00 63.24 H new ATOM 0 HB2 SER A 23 4.126 -7.561 1.692 1.00 11.43 H new ATOM 0 HB3 SER A 23 4.876 -9.138 1.554 1.00 11.43 H new ATOM 0 HG SER A 23 2.842 -9.229 2.665 1.00 71.41 H new ATOM 337 N THR A 24 6.985 -9.957 2.774 1.00 75.22 N ATOM 338 CA THR A 24 8.098 -10.826 2.415 1.00 62.43 C ATOM 339 C THR A 24 8.028 -11.229 0.946 1.00 71.41 C ATOM 340 O THR A 24 8.813 -10.754 0.126 1.00 45.03 O ATOM 341 CB THR A 24 8.121 -12.098 3.284 1.00 10.12 C ATOM 342 OG1 THR A 24 6.805 -12.654 3.375 1.00 1.35 O ATOM 343 CG2 THR A 24 8.645 -11.791 4.679 1.00 4.21 C ATOM 0 H THR A 24 6.180 -10.444 3.167 1.00 75.22 H new ATOM 0 HA THR A 24 9.012 -10.259 2.591 1.00 62.43 H new ATOM 0 HB THR A 24 8.788 -12.820 2.813 1.00 10.12 H new ATOM 0 HG1 THR A 24 6.829 -13.463 3.928 1.00 1.35 H new ATOM 0 HG21 THR A 24 8.652 -12.704 5.274 1.00 4.21 H new ATOM 0 HG22 THR A 24 9.659 -11.396 4.608 1.00 4.21 H new ATOM 0 HG23 THR A 24 8.000 -11.052 5.155 1.00 4.21 H new ATOM 351 N GLU A 25 7.085 -12.108 0.622 1.00 33.02 N ATOM 352 CA GLU A 25 6.915 -12.574 -0.748 1.00 63.11 C ATOM 353 C GLU A 25 5.717 -11.896 -1.409 1.00 22.31 C ATOM 354 O GLU A 25 5.875 -11.081 -2.318 1.00 62.44 O ATOM 355 CB GLU A 25 6.734 -14.093 -0.775 1.00 42.33 C ATOM 356 CG GLU A 25 7.953 -14.860 -0.291 1.00 43.21 C ATOM 357 CD GLU A 25 8.268 -16.062 -1.159 1.00 71.51 C ATOM 358 OE1 GLU A 25 7.335 -16.837 -1.460 1.00 63.41 O ATOM 359 OE2 GLU A 25 9.447 -16.230 -1.536 1.00 71.12 O ATOM 0 H GLU A 25 6.428 -12.511 1.290 1.00 33.02 H new ATOM 0 HA GLU A 25 7.813 -12.312 -1.307 1.00 63.11 H new ATOM 0 HB2 GLU A 25 5.878 -14.359 -0.155 1.00 42.33 H new ATOM 0 HB3 GLU A 25 6.500 -14.404 -1.793 1.00 42.33 H new ATOM 0 HG2 GLU A 25 8.815 -14.193 -0.275 1.00 43.21 H new ATOM 0 HG3 GLU A 25 7.786 -15.191 0.734 1.00 43.21 H new ATOM 366 N SER A 26 4.520 -12.240 -0.945 1.00 62.21 N ATOM 367 CA SER A 26 3.296 -11.669 -1.493 1.00 51.12 C ATOM 368 C SER A 26 3.346 -10.145 -1.463 1.00 13.42 C ATOM 369 O SER A 26 3.853 -9.548 -0.513 1.00 13.50 O ATOM 370 CB SER A 26 2.080 -12.166 -0.707 1.00 63.52 C ATOM 371 OG SER A 26 2.081 -13.579 -0.607 1.00 63.43 O ATOM 0 H SER A 26 4.372 -12.911 -0.191 1.00 62.21 H new ATOM 0 HA SER A 26 3.207 -11.992 -2.530 1.00 51.12 H new ATOM 0 HB2 SER A 26 2.084 -11.728 0.291 1.00 63.52 H new ATOM 0 HB3 SER A 26 1.165 -11.834 -1.198 1.00 63.52 H new ATOM 0 HG SER A 26 1.177 -13.893 -0.397 1.00 63.43 H new ATOM 377 N ALA A 27 2.816 -9.520 -2.509 1.00 61.33 N ATOM 378 CA ALA A 27 2.799 -8.066 -2.603 1.00 70.11 C ATOM 379 C ALA A 27 1.371 -7.541 -2.715 1.00 22.35 C ATOM 380 O ALA A 27 0.453 -8.281 -3.066 1.00 61.42 O ATOM 381 CB ALA A 27 3.628 -7.603 -3.791 1.00 63.24 C ATOM 0 H ALA A 27 2.392 -9.999 -3.304 1.00 61.33 H new ATOM 0 HA ALA A 27 3.237 -7.662 -1.690 1.00 70.11 H new ATOM 0 HB1 ALA A 27 3.606 -6.515 -3.848 1.00 63.24 H new ATOM 0 HB2 ALA A 27 4.658 -7.939 -3.669 1.00 63.24 H new ATOM 0 HB3 ALA A 27 3.215 -8.023 -4.708 1.00 63.24 H new ATOM 387 N TRP A 28 1.192 -6.259 -2.413 1.00 20.51 N ATOM 388 CA TRP A 28 -0.124 -5.635 -2.480 1.00 15.21 C ATOM 389 C TRP A 28 -0.282 -4.832 -3.766 1.00 24.51 C ATOM 390 O TRP A 28 0.595 -4.050 -4.133 1.00 74.23 O ATOM 391 CB TRP A 28 -0.343 -4.728 -1.268 1.00 53.14 C ATOM 392 CG TRP A 28 -0.890 -5.452 -0.075 1.00 21.24 C ATOM 393 CD1 TRP A 28 -0.238 -5.711 1.097 1.00 34.13 C ATOM 394 CD2 TRP A 28 -2.201 -6.012 0.061 1.00 21.03 C ATOM 395 NE1 TRP A 28 -1.065 -6.398 1.953 1.00 44.32 N ATOM 396 CE2 TRP A 28 -2.275 -6.594 1.341 1.00 51.11 C ATOM 397 CE3 TRP A 28 -3.320 -6.077 -0.774 1.00 2.34 C ATOM 398 CZ2 TRP A 28 -3.422 -7.232 1.803 1.00 40.24 C ATOM 399 CZ3 TRP A 28 -4.459 -6.711 -0.314 1.00 23.45 C ATOM 400 CH2 TRP A 28 -4.503 -7.281 0.965 1.00 0.44 C ATOM 0 H TRP A 28 1.942 -5.632 -2.120 1.00 20.51 H new ATOM 0 HA TRP A 28 -0.874 -6.426 -2.474 1.00 15.21 H new ATOM 0 HB2 TRP A 28 0.604 -4.260 -0.998 1.00 53.14 H new ATOM 0 HB3 TRP A 28 -1.028 -3.926 -1.543 1.00 53.14 H new ATOM 0 HD1 TRP A 28 0.778 -5.419 1.318 1.00 34.13 H new ATOM 0 HE1 TRP A 28 -0.818 -6.711 2.892 1.00 44.32 H new ATOM 0 HE3 TRP A 28 -3.295 -5.640 -1.761 1.00 2.34 H new ATOM 0 HZ2 TRP A 28 -3.458 -7.673 2.788 1.00 40.24 H new ATOM 0 HZ3 TRP A 28 -5.329 -6.768 -0.951 1.00 23.45 H new ATOM 0 HH2 TRP A 28 -5.408 -7.769 1.296 1.00 0.44 H new ATOM 411 N VAL A 29 -1.405 -5.031 -4.449 1.00 72.20 N ATOM 412 CA VAL A 29 -1.678 -4.324 -5.694 1.00 31.34 C ATOM 413 C VAL A 29 -3.095 -3.762 -5.708 1.00 64.02 C ATOM 414 O VAL A 29 -4.017 -4.363 -5.157 1.00 44.41 O ATOM 415 CB VAL A 29 -1.490 -5.244 -6.915 1.00 53.33 C ATOM 416 CG1 VAL A 29 -0.014 -5.515 -7.158 1.00 31.51 C ATOM 417 CG2 VAL A 29 -2.255 -6.545 -6.724 1.00 54.33 C ATOM 0 H VAL A 29 -2.140 -5.676 -4.161 1.00 72.20 H new ATOM 0 HA VAL A 29 -0.964 -3.502 -5.754 1.00 31.34 H new ATOM 0 HB VAL A 29 -1.891 -4.739 -7.794 1.00 53.33 H new ATOM 0 HG11 VAL A 29 0.098 -6.167 -8.024 1.00 31.51 H new ATOM 0 HG12 VAL A 29 0.503 -4.573 -7.342 1.00 31.51 H new ATOM 0 HG13 VAL A 29 0.416 -6.000 -6.281 1.00 31.51 H new ATOM 0 HG21 VAL A 29 -2.111 -7.183 -7.596 1.00 54.33 H new ATOM 0 HG22 VAL A 29 -1.886 -7.057 -5.835 1.00 54.33 H new ATOM 0 HG23 VAL A 29 -3.317 -6.329 -6.604 1.00 54.33 H new ATOM 427 N ARG A 30 -3.261 -2.605 -6.342 1.00 65.43 N ATOM 428 CA ARG A 30 -4.566 -1.961 -6.428 1.00 71.34 C ATOM 429 C ARG A 30 -5.112 -2.026 -7.851 1.00 42.13 C ATOM 430 O ARG A 30 -4.364 -1.901 -8.820 1.00 24.33 O ATOM 431 CB ARG A 30 -4.470 -0.504 -5.972 1.00 43.31 C ATOM 432 CG ARG A 30 -5.817 0.195 -5.883 1.00 22.00 C ATOM 433 CD ARG A 30 -5.783 1.555 -6.562 1.00 12.23 C ATOM 434 NE ARG A 30 -5.562 1.444 -8.001 1.00 33.24 N ATOM 435 CZ ARG A 30 -5.107 2.440 -8.753 1.00 64.42 C ATOM 436 NH1 ARG A 30 -4.825 3.614 -8.206 1.00 50.53 N ATOM 437 NH2 ARG A 30 -4.931 2.261 -10.057 1.00 72.50 N ATOM 0 H ARG A 30 -2.508 -2.095 -6.803 1.00 65.43 H new ATOM 0 HA ARG A 30 -5.251 -2.496 -5.770 1.00 71.34 H new ATOM 0 HB2 ARG A 30 -3.986 -0.469 -4.996 1.00 43.31 H new ATOM 0 HB3 ARG A 30 -3.831 0.044 -6.665 1.00 43.31 H new ATOM 0 HG2 ARG A 30 -6.582 -0.426 -6.348 1.00 22.00 H new ATOM 0 HG3 ARG A 30 -6.097 0.316 -4.837 1.00 22.00 H new ATOM 0 HD2 ARG A 30 -6.723 2.075 -6.379 1.00 12.23 H new ATOM 0 HD3 ARG A 30 -4.992 2.161 -6.120 1.00 12.23 H new ATOM 0 HE ARG A 30 -5.768 0.553 -8.453 1.00 33.24 H new ATOM 0 HH11 ARG A 30 -4.957 3.755 -7.204 1.00 50.53 H new ATOM 0 HH12 ARG A 30 -4.476 4.376 -8.787 1.00 50.53 H new ATOM 0 HH21 ARG A 30 -5.145 1.359 -10.481 1.00 72.50 H new ATOM 0 HH22 ARG A 30 -4.582 3.026 -10.634 1.00 72.50 H new ATOM 451 N CYS A 31 -6.421 -2.224 -7.968 1.00 4.35 N ATOM 452 CA CYS A 31 -7.069 -2.306 -9.272 1.00 21.53 C ATOM 453 C CYS A 31 -7.219 -0.920 -9.893 1.00 0.10 C ATOM 454 O CYS A 31 -7.591 0.038 -9.216 1.00 52.32 O ATOM 455 CB CYS A 31 -8.440 -2.971 -9.143 1.00 62.43 C ATOM 456 SG CYS A 31 -9.285 -3.248 -10.733 1.00 1.21 S ATOM 0 H CYS A 31 -7.054 -2.331 -7.175 1.00 4.35 H new ATOM 0 HA CYS A 31 -6.440 -2.911 -9.925 1.00 21.53 H new ATOM 0 HB2 CYS A 31 -8.321 -3.928 -8.635 1.00 62.43 H new ATOM 0 HB3 CYS A 31 -9.075 -2.351 -8.510 1.00 62.43 H new ATOM 461 N ASP A 32 -6.928 -0.823 -11.186 1.00 54.21 N ATOM 462 CA ASP A 32 -7.033 0.445 -11.900 1.00 34.15 C ATOM 463 C ASP A 32 -8.378 0.559 -12.609 1.00 3.23 C ATOM 464 O ASP A 32 -8.484 1.189 -13.662 1.00 0.12 O ATOM 465 CB ASP A 32 -5.895 0.581 -12.912 1.00 42.24 C ATOM 466 CG ASP A 32 -5.491 2.024 -13.139 1.00 31.43 C ATOM 467 OD1 ASP A 32 -6.340 2.917 -12.936 1.00 11.12 O ATOM 468 OD2 ASP A 32 -4.325 2.260 -13.519 1.00 44.10 O ATOM 0 H ASP A 32 -6.618 -1.606 -11.761 1.00 54.21 H new ATOM 0 HA ASP A 32 -6.958 1.252 -11.171 1.00 34.15 H new ATOM 0 HB2 ASP A 32 -5.031 0.016 -12.561 1.00 42.24 H new ATOM 0 HB3 ASP A 32 -6.201 0.139 -13.860 1.00 42.24 H new ATOM 473 N ASP A 33 -9.403 -0.054 -12.027 1.00 70.43 N ATOM 474 CA ASP A 33 -10.742 -0.022 -12.604 1.00 4.21 C ATOM 475 C ASP A 33 -11.791 0.235 -11.528 1.00 12.45 C ATOM 476 O ASP A 33 -12.704 1.040 -11.715 1.00 11.24 O ATOM 477 CB ASP A 33 -11.043 -1.338 -13.323 1.00 5.44 C ATOM 478 CG ASP A 33 -11.985 -1.154 -14.497 1.00 73.11 C ATOM 479 OD1 ASP A 33 -13.073 -0.574 -14.298 1.00 11.32 O ATOM 480 OD2 ASP A 33 -11.636 -1.591 -15.613 1.00 72.40 O ATOM 0 H ASP A 33 -9.332 -0.579 -11.156 1.00 70.43 H new ATOM 0 HA ASP A 33 -10.780 0.794 -13.326 1.00 4.21 H new ATOM 0 HB2 ASP A 33 -10.110 -1.778 -13.675 1.00 5.44 H new ATOM 0 HB3 ASP A 33 -11.481 -2.043 -12.616 1.00 5.44 H new ATOM 485 N CYS A 34 -11.656 -0.454 -10.399 1.00 23.14 N ATOM 486 CA CYS A 34 -12.592 -0.302 -9.292 1.00 23.25 C ATOM 487 C CYS A 34 -11.888 0.248 -8.055 1.00 64.23 C ATOM 488 O CYS A 34 -12.531 0.609 -7.070 1.00 50.10 O ATOM 489 CB CYS A 34 -13.249 -1.644 -8.965 1.00 70.32 C ATOM 490 SG CYS A 34 -12.080 -2.930 -8.418 1.00 54.00 S ATOM 0 H CYS A 34 -10.906 -1.124 -10.227 1.00 23.14 H new ATOM 0 HA CYS A 34 -13.362 0.408 -9.595 1.00 23.25 H new ATOM 0 HB2 CYS A 34 -13.995 -1.491 -8.185 1.00 70.32 H new ATOM 0 HB3 CYS A 34 -13.779 -2.002 -9.848 1.00 70.32 H new ATOM 495 N PHE A 35 -10.561 0.309 -8.115 1.00 54.21 N ATOM 496 CA PHE A 35 -9.768 0.814 -6.999 1.00 40.24 C ATOM 497 C PHE A 35 -9.973 -0.045 -5.755 1.00 53.41 C ATOM 498 O PHE A 35 -10.653 0.360 -4.811 1.00 3.03 O ATOM 499 CB PHE A 35 -10.141 2.267 -6.698 1.00 60.25 C ATOM 500 CG PHE A 35 -10.007 3.178 -7.884 1.00 14.40 C ATOM 501 CD1 PHE A 35 -11.064 3.354 -8.762 1.00 50.33 C ATOM 502 CD2 PHE A 35 -8.825 3.860 -8.121 1.00 73.20 C ATOM 503 CE1 PHE A 35 -10.944 4.191 -9.855 1.00 41.32 C ATOM 504 CE2 PHE A 35 -8.699 4.699 -9.212 1.00 35.25 C ATOM 505 CZ PHE A 35 -9.760 4.866 -10.080 1.00 34.31 C ATOM 0 H PHE A 35 -10.013 0.015 -8.923 1.00 54.21 H new ATOM 0 HA PHE A 35 -8.716 0.768 -7.281 1.00 40.24 H new ATOM 0 HB2 PHE A 35 -11.169 2.303 -6.337 1.00 60.25 H new ATOM 0 HB3 PHE A 35 -9.507 2.637 -5.892 1.00 60.25 H new ATOM 0 HD1 PHE A 35 -11.993 2.831 -8.590 1.00 50.33 H new ATOM 0 HD2 PHE A 35 -7.992 3.735 -7.445 1.00 73.20 H new ATOM 0 HE1 PHE A 35 -11.775 4.317 -10.533 1.00 41.32 H new ATOM 0 HE2 PHE A 35 -7.771 5.224 -9.386 1.00 35.25 H new ATOM 0 HZ PHE A 35 -9.664 5.522 -10.932 1.00 34.31 H new ATOM 515 N LYS A 36 -9.379 -1.234 -5.759 1.00 51.22 N ATOM 516 CA LYS A 36 -9.495 -2.151 -4.631 1.00 65.12 C ATOM 517 C LYS A 36 -8.173 -2.871 -4.379 1.00 13.23 C ATOM 518 O LYS A 36 -7.403 -3.116 -5.306 1.00 62.13 O ATOM 519 CB LYS A 36 -10.603 -3.174 -4.890 1.00 3.11 C ATOM 520 CG LYS A 36 -11.643 -3.236 -3.785 1.00 11.22 C ATOM 521 CD LYS A 36 -12.442 -1.946 -3.698 1.00 53.44 C ATOM 522 CE LYS A 36 -13.507 -2.022 -2.614 1.00 71.35 C ATOM 523 NZ LYS A 36 -14.351 -0.796 -2.579 1.00 61.14 N ATOM 0 H LYS A 36 -8.812 -1.585 -6.531 1.00 51.22 H new ATOM 0 HA LYS A 36 -9.747 -1.568 -3.745 1.00 65.12 H new ATOM 0 HB2 LYS A 36 -11.098 -2.931 -5.830 1.00 3.11 H new ATOM 0 HB3 LYS A 36 -10.155 -4.160 -5.011 1.00 3.11 H new ATOM 0 HG2 LYS A 36 -12.319 -4.072 -3.966 1.00 11.22 H new ATOM 0 HG3 LYS A 36 -11.151 -3.425 -2.831 1.00 11.22 H new ATOM 0 HD2 LYS A 36 -11.770 -1.113 -3.491 1.00 53.44 H new ATOM 0 HD3 LYS A 36 -12.914 -1.743 -4.660 1.00 53.44 H new ATOM 0 HE2 LYS A 36 -14.139 -2.893 -2.786 1.00 71.35 H new ATOM 0 HE3 LYS A 36 -13.029 -2.162 -1.644 1.00 71.35 H new ATOM 0 HZ1 LYS A 36 -15.064 -0.887 -1.828 1.00 61.14 H new ATOM 0 HZ2 LYS A 36 -13.752 0.033 -2.389 1.00 61.14 H new ATOM 0 HZ3 LYS A 36 -14.827 -0.676 -3.496 1.00 61.14 H new ATOM 537 N TRP A 37 -7.920 -3.206 -3.119 1.00 35.32 N ATOM 538 CA TRP A 37 -6.693 -3.900 -2.745 1.00 21.32 C ATOM 539 C TRP A 37 -6.752 -5.369 -3.148 1.00 11.41 C ATOM 540 O TRP A 37 -7.810 -5.997 -3.081 1.00 65.31 O ATOM 541 CB TRP A 37 -6.453 -3.780 -1.239 1.00 52.25 C ATOM 542 CG TRP A 37 -5.623 -2.591 -0.862 1.00 33.45 C ATOM 543 CD1 TRP A 37 -5.912 -1.659 0.094 1.00 61.22 C ATOM 544 CD2 TRP A 37 -4.369 -2.204 -1.434 1.00 65.55 C ATOM 545 NE1 TRP A 37 -4.913 -0.717 0.150 1.00 72.25 N ATOM 546 CE2 TRP A 37 -3.955 -1.030 -0.777 1.00 24.40 C ATOM 547 CE3 TRP A 37 -3.554 -2.738 -2.437 1.00 61.02 C ATOM 548 CZ2 TRP A 37 -2.763 -0.382 -1.092 1.00 22.42 C ATOM 549 CZ3 TRP A 37 -2.373 -2.094 -2.750 1.00 33.12 C ATOM 550 CH2 TRP A 37 -1.985 -0.926 -2.078 1.00 1.42 C ATOM 0 H TRP A 37 -8.548 -3.009 -2.340 1.00 35.32 H new ATOM 0 HA TRP A 37 -5.865 -3.431 -3.276 1.00 21.32 H new ATOM 0 HB2 TRP A 37 -7.414 -3.719 -0.729 1.00 52.25 H new ATOM 0 HB3 TRP A 37 -5.960 -4.685 -0.884 1.00 52.25 H new ATOM 0 HD1 TRP A 37 -6.796 -1.662 0.715 1.00 61.22 H new ATOM 0 HE1 TRP A 37 -4.889 0.085 0.780 1.00 72.25 H new ATOM 0 HE3 TRP A 37 -3.843 -3.639 -2.958 1.00 61.02 H new ATOM 0 HZ2 TRP A 37 -2.463 0.518 -0.576 1.00 22.42 H new ATOM 0 HZ3 TRP A 37 -1.738 -2.497 -3.525 1.00 33.12 H new ATOM 0 HH2 TRP A 37 -1.054 -0.446 -2.344 1.00 1.42 H new ATOM 561 N ARG A 38 -5.613 -5.911 -3.565 1.00 1.53 N ATOM 562 CA ARG A 38 -5.538 -7.307 -3.979 1.00 2.34 C ATOM 563 C ARG A 38 -4.164 -7.894 -3.666 1.00 11.42 C ATOM 564 O ARG A 38 -3.139 -7.363 -4.093 1.00 3.23 O ATOM 565 CB ARG A 38 -5.829 -7.433 -5.476 1.00 73.41 C ATOM 566 CG ARG A 38 -6.884 -8.476 -5.805 1.00 22.31 C ATOM 567 CD ARG A 38 -6.263 -9.848 -6.018 1.00 44.04 C ATOM 568 NE ARG A 38 -7.148 -10.923 -5.580 1.00 54.13 N ATOM 569 CZ ARG A 38 -6.724 -12.143 -5.267 1.00 43.13 C ATOM 570 NH1 ARG A 38 -5.434 -12.441 -5.346 1.00 15.44 N ATOM 571 NH2 ARG A 38 -7.591 -13.068 -4.876 1.00 31.02 N ATOM 0 H ARG A 38 -4.729 -5.405 -3.625 1.00 1.53 H new ATOM 0 HA ARG A 38 -6.289 -7.866 -3.421 1.00 2.34 H new ATOM 0 HB2 ARG A 38 -6.156 -6.465 -5.857 1.00 73.41 H new ATOM 0 HB3 ARG A 38 -4.906 -7.685 -5.997 1.00 73.41 H new ATOM 0 HG2 ARG A 38 -7.612 -8.527 -4.995 1.00 22.31 H new ATOM 0 HG3 ARG A 38 -7.425 -8.177 -6.703 1.00 22.31 H new ATOM 0 HD2 ARG A 38 -6.028 -9.980 -7.074 1.00 44.04 H new ATOM 0 HD3 ARG A 38 -5.321 -9.908 -5.472 1.00 44.04 H new ATOM 0 HE ARG A 38 -8.147 -10.727 -5.510 1.00 54.13 H new ATOM 0 HH11 ARG A 38 -4.765 -11.733 -5.648 1.00 15.44 H new ATOM 0 HH12 ARG A 38 -5.111 -13.378 -5.105 1.00 15.44 H new ATOM 0 HH21 ARG A 38 -8.584 -12.843 -4.815 1.00 31.02 H new ATOM 0 HH22 ARG A 38 -7.265 -14.004 -4.636 1.00 31.02 H new ATOM 585 N ARG A 39 -4.153 -8.992 -2.916 1.00 2.45 N ATOM 586 CA ARG A 39 -2.906 -9.648 -2.543 1.00 43.24 C ATOM 587 C ARG A 39 -2.474 -10.641 -3.618 1.00 31.32 C ATOM 588 O ARG A 39 -3.193 -11.591 -3.927 1.00 14.43 O ATOM 589 CB ARG A 39 -3.066 -10.370 -1.203 1.00 23.34 C ATOM 590 CG ARG A 39 -1.761 -10.535 -0.442 1.00 42.23 C ATOM 591 CD ARG A 39 -1.676 -11.898 0.228 1.00 33.23 C ATOM 592 NE ARG A 39 -0.711 -11.910 1.324 1.00 52.52 N ATOM 593 CZ ARG A 39 -0.245 -13.022 1.881 1.00 71.45 C ATOM 594 NH1 ARG A 39 -0.653 -14.206 1.446 1.00 64.14 N ATOM 595 NH2 ARG A 39 0.631 -12.951 2.874 1.00 35.31 N ATOM 0 H ARG A 39 -4.993 -9.445 -2.555 1.00 2.45 H new ATOM 0 HA ARG A 39 -2.136 -8.883 -2.446 1.00 43.24 H new ATOM 0 HB2 ARG A 39 -3.771 -9.816 -0.583 1.00 23.34 H new ATOM 0 HB3 ARG A 39 -3.501 -11.354 -1.379 1.00 23.34 H new ATOM 0 HG2 ARG A 39 -0.921 -10.411 -1.126 1.00 42.23 H new ATOM 0 HG3 ARG A 39 -1.676 -9.752 0.311 1.00 42.23 H new ATOM 0 HD2 ARG A 39 -2.659 -12.177 0.607 1.00 33.23 H new ATOM 0 HD3 ARG A 39 -1.395 -12.648 -0.511 1.00 33.23 H new ATOM 0 HE ARG A 39 -0.376 -11.015 1.681 1.00 52.52 H new ATOM 0 HH11 ARG A 39 -1.326 -14.264 0.682 1.00 64.14 H new ATOM 0 HH12 ARG A 39 -0.294 -15.059 1.875 1.00 64.14 H new ATOM 0 HH21 ARG A 39 0.948 -12.042 3.211 1.00 35.31 H new ATOM 0 HH22 ARG A 39 0.988 -13.806 3.301 1.00 35.31 H new ATOM 609 N ILE A 40 -1.294 -10.414 -4.185 1.00 23.44 N ATOM 610 CA ILE A 40 -0.764 -11.288 -5.225 1.00 14.33 C ATOM 611 C ILE A 40 0.606 -11.835 -4.838 1.00 43.53 C ATOM 612 O ILE A 40 1.353 -11.224 -4.074 1.00 43.30 O ATOM 613 CB ILE A 40 -0.650 -10.553 -6.573 1.00 64.01 C ATOM 614 CG1 ILE A 40 0.515 -9.561 -6.541 1.00 62.05 C ATOM 615 CG2 ILE A 40 -1.952 -9.838 -6.899 1.00 60.05 C ATOM 616 CD1 ILE A 40 0.620 -8.712 -7.788 1.00 40.00 C ATOM 0 H ILE A 40 -0.686 -9.632 -3.942 1.00 23.44 H new ATOM 0 HA ILE A 40 -1.466 -12.115 -5.330 1.00 14.33 H new ATOM 0 HB ILE A 40 -0.456 -11.288 -7.355 1.00 64.01 H new ATOM 0 HG12 ILE A 40 0.402 -8.908 -5.675 1.00 62.05 H new ATOM 0 HG13 ILE A 40 1.446 -10.111 -6.406 1.00 62.05 H new ATOM 0 HG21 ILE A 40 -1.855 -9.323 -7.855 1.00 60.05 H new ATOM 0 HG22 ILE A 40 -2.761 -10.566 -6.959 1.00 60.05 H new ATOM 0 HG23 ILE A 40 -2.174 -9.112 -6.117 1.00 60.05 H new ATOM 0 HD11 ILE A 40 1.467 -8.033 -7.695 1.00 40.00 H new ATOM 0 HD12 ILE A 40 0.764 -9.356 -8.656 1.00 40.00 H new ATOM 0 HD13 ILE A 40 -0.296 -8.135 -7.913 1.00 40.00 H new ATOM 628 N PRO A 41 0.946 -13.015 -5.379 1.00 32.12 N ATOM 629 CA PRO A 41 2.229 -13.669 -5.107 1.00 72.13 C ATOM 630 C PRO A 41 3.403 -12.930 -5.740 1.00 63.02 C ATOM 631 O PRO A 41 3.232 -12.187 -6.706 1.00 75.01 O ATOM 632 CB PRO A 41 2.063 -15.052 -5.743 1.00 40.31 C ATOM 633 CG PRO A 41 1.041 -14.858 -6.809 1.00 55.35 C ATOM 634 CD PRO A 41 0.105 -13.800 -6.298 1.00 1.32 C ATOM 0 HA PRO A 41 2.453 -13.698 -4.041 1.00 72.13 H new ATOM 0 HB2 PRO A 41 3.004 -15.413 -6.158 1.00 40.31 H new ATOM 0 HB3 PRO A 41 1.735 -15.788 -5.009 1.00 40.31 H new ATOM 0 HG2 PRO A 41 1.507 -14.548 -7.744 1.00 55.35 H new ATOM 0 HG3 PRO A 41 0.507 -15.787 -7.011 1.00 55.35 H new ATOM 0 HD2 PRO A 41 -0.287 -13.185 -7.108 1.00 1.32 H new ATOM 0 HD3 PRO A 41 -0.752 -14.236 -5.785 1.00 1.32 H new ATOM 642 N ALA A 42 4.594 -13.138 -5.189 1.00 61.52 N ATOM 643 CA ALA A 42 5.797 -12.494 -5.702 1.00 0.54 C ATOM 644 C ALA A 42 6.158 -13.025 -7.084 1.00 24.23 C ATOM 645 O ALA A 42 7.008 -12.462 -7.774 1.00 11.45 O ATOM 646 CB ALA A 42 6.956 -12.695 -4.737 1.00 10.04 C ATOM 0 H ALA A 42 4.752 -13.748 -4.387 1.00 61.52 H new ATOM 0 HA ALA A 42 5.596 -11.427 -5.794 1.00 0.54 H new ATOM 0 HB1 ALA A 42 7.848 -12.209 -5.133 1.00 10.04 H new ATOM 0 HB2 ALA A 42 6.704 -12.259 -3.770 1.00 10.04 H new ATOM 0 HB3 ALA A 42 7.148 -13.761 -4.616 1.00 10.04 H new ATOM 652 N SER A 43 5.507 -14.114 -7.483 1.00 24.04 N ATOM 653 CA SER A 43 5.764 -14.724 -8.782 1.00 43.12 C ATOM 654 C SER A 43 5.101 -13.923 -9.900 1.00 34.53 C ATOM 655 O SER A 43 5.648 -13.793 -10.995 1.00 74.24 O ATOM 656 CB SER A 43 5.254 -16.167 -8.802 1.00 14.45 C ATOM 657 OG SER A 43 5.404 -16.777 -7.532 1.00 44.22 O ATOM 0 H SER A 43 4.799 -14.591 -6.925 1.00 24.04 H new ATOM 0 HA SER A 43 6.841 -14.724 -8.948 1.00 43.12 H new ATOM 0 HB2 SER A 43 4.204 -16.181 -9.094 1.00 14.45 H new ATOM 0 HB3 SER A 43 5.801 -16.739 -9.551 1.00 14.45 H new ATOM 0 HG SER A 43 5.070 -17.697 -7.570 1.00 44.22 H new ATOM 663 N VAL A 44 3.919 -13.388 -9.613 1.00 24.44 N ATOM 664 CA VAL A 44 3.181 -12.598 -10.593 1.00 15.53 C ATOM 665 C VAL A 44 3.501 -11.114 -10.456 1.00 23.50 C ATOM 666 O VAL A 44 3.499 -10.374 -11.440 1.00 15.03 O ATOM 667 CB VAL A 44 1.661 -12.799 -10.444 1.00 64.54 C ATOM 668 CG1 VAL A 44 1.165 -12.180 -9.147 1.00 53.15 C ATOM 669 CG2 VAL A 44 0.927 -12.212 -11.640 1.00 23.24 C ATOM 0 H VAL A 44 3.452 -13.487 -8.712 1.00 24.44 H new ATOM 0 HA VAL A 44 3.492 -12.944 -11.579 1.00 15.53 H new ATOM 0 HB VAL A 44 1.455 -13.869 -10.409 1.00 64.54 H new ATOM 0 HG11 VAL A 44 0.089 -12.332 -9.059 1.00 53.15 H new ATOM 0 HG12 VAL A 44 1.668 -12.652 -8.303 1.00 53.15 H new ATOM 0 HG13 VAL A 44 1.382 -11.112 -9.148 1.00 53.15 H new ATOM 0 HG21 VAL A 44 -0.146 -12.363 -11.518 1.00 23.24 H new ATOM 0 HG22 VAL A 44 1.138 -11.145 -11.708 1.00 23.24 H new ATOM 0 HG23 VAL A 44 1.262 -12.707 -12.551 1.00 23.24 H new ATOM 679 N VAL A 45 3.779 -10.684 -9.229 1.00 32.43 N ATOM 680 CA VAL A 45 4.105 -9.288 -8.963 1.00 55.44 C ATOM 681 C VAL A 45 5.303 -8.836 -9.789 1.00 70.42 C ATOM 682 O VAL A 45 5.464 -7.650 -10.072 1.00 31.15 O ATOM 683 CB VAL A 45 4.406 -9.056 -7.470 1.00 62.21 C ATOM 684 CG1 VAL A 45 5.877 -9.316 -7.176 1.00 3.42 C ATOM 685 CG2 VAL A 45 4.012 -7.646 -7.060 1.00 23.35 C ATOM 0 H VAL A 45 3.785 -11.283 -8.403 1.00 32.43 H new ATOM 0 HA VAL A 45 3.232 -8.700 -9.245 1.00 55.44 H new ATOM 0 HB VAL A 45 3.813 -9.758 -6.884 1.00 62.21 H new ATOM 0 HG11 VAL A 45 6.072 -9.147 -6.117 1.00 3.42 H new ATOM 0 HG12 VAL A 45 6.122 -10.347 -7.430 1.00 3.42 H new ATOM 0 HG13 VAL A 45 6.492 -8.640 -7.770 1.00 3.42 H new ATOM 0 HG21 VAL A 45 4.232 -7.500 -6.002 1.00 23.35 H new ATOM 0 HG22 VAL A 45 4.576 -6.924 -7.651 1.00 23.35 H new ATOM 0 HG23 VAL A 45 2.945 -7.502 -7.232 1.00 23.35 H new ATOM 695 N GLY A 46 6.145 -9.791 -10.174 1.00 55.25 N ATOM 696 CA GLY A 46 7.319 -9.472 -10.964 1.00 43.34 C ATOM 697 C GLY A 46 7.113 -9.739 -12.442 1.00 73.54 C ATOM 698 O GLY A 46 8.075 -9.934 -13.185 1.00 15.13 O ATOM 0 H GLY A 46 6.034 -10.780 -9.952 1.00 55.25 H new ATOM 0 HA2 GLY A 46 7.576 -8.423 -10.820 1.00 43.34 H new ATOM 0 HA3 GLY A 46 8.165 -10.059 -10.606 1.00 43.34 H new ATOM 702 N SER A 47 5.855 -9.751 -12.870 1.00 65.24 N ATOM 703 CA SER A 47 5.525 -10.003 -14.269 1.00 72.33 C ATOM 704 C SER A 47 4.428 -9.058 -14.747 1.00 53.31 C ATOM 705 O SER A 47 4.484 -8.539 -15.862 1.00 64.01 O ATOM 706 CB SER A 47 5.081 -11.455 -14.457 1.00 53.43 C ATOM 707 OG SER A 47 5.969 -12.154 -15.311 1.00 0.13 O ATOM 0 H SER A 47 5.047 -9.589 -12.269 1.00 65.24 H new ATOM 0 HA SER A 47 6.420 -9.824 -14.865 1.00 72.33 H new ATOM 0 HB2 SER A 47 5.036 -11.953 -13.488 1.00 53.43 H new ATOM 0 HB3 SER A 47 4.075 -11.479 -14.875 1.00 53.43 H new ATOM 0 HG SER A 47 5.664 -13.080 -15.413 1.00 0.13 H new ATOM 713 N ILE A 48 3.432 -8.838 -13.895 1.00 45.34 N ATOM 714 CA ILE A 48 2.322 -7.955 -14.229 1.00 45.34 C ATOM 715 C ILE A 48 2.746 -6.491 -14.164 1.00 51.43 C ATOM 716 O ILE A 48 2.066 -5.614 -14.696 1.00 15.10 O ATOM 717 CB ILE A 48 1.125 -8.174 -13.286 1.00 44.53 C ATOM 718 CG1 ILE A 48 1.531 -7.900 -11.837 1.00 4.31 C ATOM 719 CG2 ILE A 48 0.587 -9.590 -13.433 1.00 53.25 C ATOM 720 CD1 ILE A 48 1.309 -6.465 -11.409 1.00 61.15 C ATOM 0 H ILE A 48 3.371 -9.259 -12.968 1.00 45.34 H new ATOM 0 HA ILE A 48 2.020 -8.199 -15.248 1.00 45.34 H new ATOM 0 HB ILE A 48 0.334 -7.475 -13.559 1.00 44.53 H new ATOM 0 HG12 ILE A 48 0.965 -8.559 -11.179 1.00 4.31 H new ATOM 0 HG13 ILE A 48 2.584 -8.150 -11.710 1.00 4.31 H new ATOM 0 HG21 ILE A 48 -0.259 -9.730 -12.760 1.00 53.25 H new ATOM 0 HG22 ILE A 48 0.263 -9.751 -14.461 1.00 53.25 H new ATOM 0 HG23 ILE A 48 1.371 -10.305 -13.183 1.00 53.25 H new ATOM 0 HD11 ILE A 48 1.619 -6.343 -10.371 1.00 61.15 H new ATOM 0 HD12 ILE A 48 1.896 -5.801 -12.043 1.00 61.15 H new ATOM 0 HD13 ILE A 48 0.252 -6.216 -11.504 1.00 61.15 H new ATOM 732 N ASP A 49 3.873 -6.237 -13.511 1.00 20.30 N ATOM 733 CA ASP A 49 4.391 -4.880 -13.378 1.00 11.53 C ATOM 734 C ASP A 49 5.201 -4.485 -14.608 1.00 21.54 C ATOM 735 O ASP A 49 6.354 -4.069 -14.495 1.00 32.13 O ATOM 736 CB ASP A 49 5.254 -4.761 -12.122 1.00 30.31 C ATOM 737 CG ASP A 49 5.174 -3.384 -11.492 1.00 15.32 C ATOM 738 OD1 ASP A 49 5.478 -2.393 -12.188 1.00 60.04 O ATOM 739 OD2 ASP A 49 4.805 -3.297 -10.301 1.00 45.11 O ATOM 0 H ASP A 49 4.447 -6.953 -13.065 1.00 20.30 H new ATOM 0 HA ASP A 49 3.543 -4.201 -13.291 1.00 11.53 H new ATOM 0 HB2 ASP A 49 4.937 -5.509 -11.395 1.00 30.31 H new ATOM 0 HB3 ASP A 49 6.291 -4.982 -12.375 1.00 30.31 H new ATOM 744 N GLU A 50 4.592 -4.618 -15.781 1.00 64.23 N ATOM 745 CA GLU A 50 5.259 -4.277 -17.032 1.00 62.43 C ATOM 746 C GLU A 50 4.763 -2.936 -17.565 1.00 33.32 C ATOM 747 O GLU A 50 5.396 -2.326 -18.427 1.00 60.22 O ATOM 748 CB GLU A 50 5.026 -5.371 -18.075 1.00 43.11 C ATOM 749 CG GLU A 50 3.557 -5.649 -18.349 1.00 23.23 C ATOM 750 CD GLU A 50 3.181 -5.420 -19.800 1.00 64.44 C ATOM 751 OE1 GLU A 50 3.625 -6.211 -20.660 1.00 51.43 O ATOM 752 OE2 GLU A 50 2.443 -4.451 -20.076 1.00 23.42 O ATOM 0 H GLU A 50 3.637 -4.960 -15.892 1.00 64.23 H new ATOM 0 HA GLU A 50 6.328 -4.197 -16.834 1.00 62.43 H new ATOM 0 HB2 GLU A 50 5.512 -5.082 -19.007 1.00 43.11 H new ATOM 0 HB3 GLU A 50 5.504 -6.291 -17.738 1.00 43.11 H new ATOM 0 HG2 GLU A 50 3.329 -6.680 -18.077 1.00 23.23 H new ATOM 0 HG3 GLU A 50 2.945 -5.009 -17.714 1.00 23.23 H new ATOM 759 N SER A 51 3.626 -2.484 -17.046 1.00 22.21 N ATOM 760 CA SER A 51 3.041 -1.218 -17.473 1.00 21.34 C ATOM 761 C SER A 51 2.568 -0.406 -16.271 1.00 72.41 C ATOM 762 O SER A 51 1.913 0.624 -16.423 1.00 42.22 O ATOM 763 CB SER A 51 1.871 -1.468 -18.426 1.00 51.51 C ATOM 764 OG SER A 51 1.682 -0.370 -19.300 1.00 2.35 O ATOM 0 H SER A 51 3.092 -2.975 -16.329 1.00 22.21 H new ATOM 0 HA SER A 51 3.810 -0.648 -17.995 1.00 21.34 H new ATOM 0 HB2 SER A 51 2.058 -2.371 -19.007 1.00 51.51 H new ATOM 0 HB3 SER A 51 0.961 -1.641 -17.852 1.00 51.51 H new ATOM 0 HG SER A 51 1.683 0.463 -18.784 1.00 2.35 H new ATOM 770 N SER A 52 2.908 -0.878 -15.076 1.00 13.43 N ATOM 771 CA SER A 52 2.515 -0.198 -13.846 1.00 61.43 C ATOM 772 C SER A 52 0.998 -0.200 -13.685 1.00 72.53 C ATOM 773 O SER A 52 0.439 0.627 -12.965 1.00 3.10 O ATOM 774 CB SER A 52 3.038 1.239 -13.843 1.00 22.12 C ATOM 775 OG SER A 52 3.862 1.480 -12.717 1.00 35.43 O ATOM 0 H SER A 52 3.454 -1.728 -14.933 1.00 13.43 H new ATOM 0 HA SER A 52 2.953 -0.738 -13.006 1.00 61.43 H new ATOM 0 HB2 SER A 52 3.602 1.426 -14.757 1.00 22.12 H new ATOM 0 HB3 SER A 52 2.199 1.935 -13.839 1.00 22.12 H new ATOM 0 HG SER A 52 4.185 2.405 -12.740 1.00 35.43 H new ATOM 781 N ARG A 53 0.339 -1.137 -14.359 1.00 13.13 N ATOM 782 CA ARG A 53 -1.113 -1.247 -14.292 1.00 42.43 C ATOM 783 C ARG A 53 -1.535 -2.676 -13.966 1.00 55.43 C ATOM 784 O ARG A 53 -0.957 -3.636 -14.474 1.00 41.51 O ATOM 785 CB ARG A 53 -1.740 -0.808 -15.616 1.00 52.41 C ATOM 786 CG ARG A 53 -1.996 0.688 -15.702 1.00 43.41 C ATOM 787 CD ARG A 53 -2.374 1.108 -17.115 1.00 73.13 C ATOM 788 NE ARG A 53 -1.385 2.009 -17.701 1.00 75.55 N ATOM 789 CZ ARG A 53 -1.575 2.669 -18.837 1.00 62.43 C ATOM 790 NH1 ARG A 53 -2.710 2.528 -19.508 1.00 31.45 N ATOM 791 NH2 ARG A 53 -0.627 3.470 -19.306 1.00 42.11 N ATOM 0 H ARG A 53 0.788 -1.831 -14.957 1.00 13.13 H new ATOM 0 HA ARG A 53 -1.466 -0.592 -13.496 1.00 42.43 H new ATOM 0 HB2 ARG A 53 -1.084 -1.103 -16.435 1.00 52.41 H new ATOM 0 HB3 ARG A 53 -2.682 -1.338 -15.756 1.00 52.41 H new ATOM 0 HG2 ARG A 53 -2.796 0.962 -15.014 1.00 43.41 H new ATOM 0 HG3 ARG A 53 -1.104 1.230 -15.386 1.00 43.41 H new ATOM 0 HD2 ARG A 53 -2.474 0.222 -17.742 1.00 73.13 H new ATOM 0 HD3 ARG A 53 -3.347 1.599 -17.099 1.00 73.13 H new ATOM 0 HE ARG A 53 -0.500 2.138 -17.211 1.00 75.55 H new ATOM 0 HH11 ARG A 53 -3.440 1.911 -19.152 1.00 31.45 H new ATOM 0 HH12 ARG A 53 -2.853 3.036 -20.381 1.00 31.45 H new ATOM 0 HH21 ARG A 53 0.248 3.579 -18.794 1.00 42.11 H new ATOM 0 HH22 ARG A 53 -0.773 3.977 -20.179 1.00 42.11 H new ATOM 805 N TRP A 54 -2.546 -2.809 -13.115 1.00 52.44 N ATOM 806 CA TRP A 54 -3.046 -4.122 -12.720 1.00 3.15 C ATOM 807 C TRP A 54 -4.518 -4.049 -12.330 1.00 12.12 C ATOM 808 O TRP A 54 -4.972 -3.053 -11.766 1.00 35.34 O ATOM 809 CB TRP A 54 -2.223 -4.674 -11.554 1.00 2.42 C ATOM 810 CG TRP A 54 -2.588 -6.079 -11.183 1.00 3.33 C ATOM 811 CD1 TRP A 54 -1.934 -7.220 -11.552 1.00 1.00 C ATOM 812 CD2 TRP A 54 -3.694 -6.492 -10.374 1.00 53.21 C ATOM 813 NE1 TRP A 54 -2.567 -8.317 -11.020 1.00 70.41 N ATOM 814 CE2 TRP A 54 -3.648 -7.899 -10.291 1.00 5.55 C ATOM 815 CE3 TRP A 54 -4.716 -5.812 -9.707 1.00 11.41 C ATOM 816 CZ2 TRP A 54 -4.587 -8.632 -9.572 1.00 23.31 C ATOM 817 CZ3 TRP A 54 -5.648 -6.543 -8.993 1.00 25.22 C ATOM 818 CH2 TRP A 54 -5.577 -7.940 -8.930 1.00 51.44 C ATOM 0 H TRP A 54 -3.036 -2.024 -12.685 1.00 52.44 H new ATOM 0 HA TRP A 54 -2.949 -4.793 -13.574 1.00 3.15 H new ATOM 0 HB2 TRP A 54 -1.166 -4.638 -11.816 1.00 2.42 H new ATOM 0 HB3 TRP A 54 -2.359 -4.029 -10.686 1.00 2.42 H new ATOM 0 HD1 TRP A 54 -1.050 -7.255 -12.171 1.00 1.00 H new ATOM 0 HE1 TRP A 54 -2.278 -9.287 -11.148 1.00 70.41 H new ATOM 0 HE3 TRP A 54 -4.777 -4.735 -9.748 1.00 11.41 H new ATOM 0 HZ2 TRP A 54 -4.536 -9.710 -9.523 1.00 23.31 H new ATOM 0 HZ3 TRP A 54 -6.444 -6.028 -8.475 1.00 25.22 H new ATOM 0 HH2 TRP A 54 -6.319 -8.482 -8.363 1.00 51.44 H new ATOM 829 N ILE A 55 -5.259 -5.109 -12.635 1.00 14.44 N ATOM 830 CA ILE A 55 -6.680 -5.164 -12.314 1.00 53.14 C ATOM 831 C ILE A 55 -7.064 -6.527 -11.748 1.00 63.44 C ATOM 832 O ILE A 55 -6.244 -7.447 -11.705 1.00 2.41 O ATOM 833 CB ILE A 55 -7.548 -4.872 -13.552 1.00 74.21 C ATOM 834 CG1 ILE A 55 -7.005 -5.621 -14.771 1.00 10.14 C ATOM 835 CG2 ILE A 55 -7.599 -3.375 -13.822 1.00 71.12 C ATOM 836 CD1 ILE A 55 -7.750 -5.311 -16.050 1.00 42.04 C ATOM 0 H ILE A 55 -4.899 -5.941 -13.104 1.00 14.44 H new ATOM 0 HA ILE A 55 -6.863 -4.397 -11.562 1.00 53.14 H new ATOM 0 HB ILE A 55 -8.562 -5.221 -13.357 1.00 74.21 H new ATOM 0 HG12 ILE A 55 -5.953 -5.370 -14.903 1.00 10.14 H new ATOM 0 HG13 ILE A 55 -7.055 -6.693 -14.581 1.00 10.14 H new ATOM 0 HG21 ILE A 55 -8.216 -3.184 -14.700 1.00 71.12 H new ATOM 0 HG22 ILE A 55 -8.027 -2.864 -12.960 1.00 71.12 H new ATOM 0 HG23 ILE A 55 -6.590 -3.003 -14.000 1.00 71.12 H new ATOM 0 HD11 ILE A 55 -7.312 -5.876 -16.872 1.00 42.04 H new ATOM 0 HD12 ILE A 55 -8.798 -5.588 -15.937 1.00 42.04 H new ATOM 0 HD13 ILE A 55 -7.678 -4.245 -16.264 1.00 42.04 H new ATOM 848 N CYS A 56 -8.314 -6.653 -11.318 1.00 35.34 N ATOM 849 CA CYS A 56 -8.808 -7.904 -10.756 1.00 54.13 C ATOM 850 C CYS A 56 -8.787 -9.016 -11.801 1.00 2.01 C ATOM 851 O CYS A 56 -8.231 -10.089 -11.570 1.00 23.22 O ATOM 852 CB CYS A 56 -10.229 -7.720 -10.220 1.00 74.13 C ATOM 853 SG CYS A 56 -10.421 -6.301 -9.094 1.00 50.32 S ATOM 0 H CYS A 56 -9.005 -5.903 -11.348 1.00 35.34 H new ATOM 0 HA CYS A 56 -8.151 -8.189 -9.935 1.00 54.13 H new ATOM 0 HB2 CYS A 56 -10.910 -7.597 -11.062 1.00 74.13 H new ATOM 0 HB3 CYS A 56 -10.529 -8.628 -9.697 1.00 74.13 H new ATOM 858 N MET A 57 -9.397 -8.750 -12.951 1.00 24.24 N ATOM 859 CA MET A 57 -9.446 -9.727 -14.034 1.00 14.22 C ATOM 860 C MET A 57 -8.041 -10.126 -14.469 1.00 65.45 C ATOM 861 O MET A 57 -7.844 -11.182 -15.071 1.00 53.44 O ATOM 862 CB MET A 57 -10.221 -9.161 -15.226 1.00 33.02 C ATOM 863 CG MET A 57 -9.680 -7.831 -15.726 1.00 23.53 C ATOM 864 SD MET A 57 -10.971 -6.592 -15.942 1.00 21.01 S ATOM 865 CE MET A 57 -11.353 -6.200 -14.237 1.00 74.12 C ATOM 0 H MET A 57 -9.864 -7.867 -13.158 1.00 24.24 H new ATOM 0 HA MET A 57 -9.959 -10.615 -13.666 1.00 14.22 H new ATOM 0 HB2 MET A 57 -10.196 -9.884 -16.041 1.00 33.02 H new ATOM 0 HB3 MET A 57 -11.266 -9.036 -14.943 1.00 33.02 H new ATOM 0 HG2 MET A 57 -8.938 -7.457 -15.021 1.00 23.53 H new ATOM 0 HG3 MET A 57 -9.168 -7.986 -16.676 1.00 23.53 H new ATOM 0 HE1 MET A 57 -11.989 -5.316 -14.201 1.00 74.12 H new ATOM 0 HE2 MET A 57 -11.874 -7.041 -13.778 1.00 74.12 H new ATOM 0 HE3 MET A 57 -10.429 -6.005 -13.693 1.00 74.12 H new ATOM 875 N ASN A 58 -7.066 -9.277 -14.163 1.00 11.11 N ATOM 876 CA ASN A 58 -5.679 -9.543 -14.524 1.00 23.42 C ATOM 877 C ASN A 58 -5.024 -10.482 -13.515 1.00 32.53 C ATOM 878 O ASN A 58 -3.916 -10.970 -13.734 1.00 31.33 O ATOM 879 CB ASN A 58 -4.891 -8.233 -14.605 1.00 72.41 C ATOM 880 CG ASN A 58 -4.828 -7.683 -16.016 1.00 12.14 C ATOM 881 OD1 ASN A 58 -5.958 -7.711 -16.713 1.00 60.22 O flip ATOM 882 ND2 ASN A 58 -3.776 -7.236 -16.474 1.00 42.22 N flip ATOM 0 H ASN A 58 -7.211 -8.398 -13.666 1.00 11.11 H new ATOM 0 HA ASN A 58 -5.670 -10.026 -15.501 1.00 23.42 H new ATOM 0 HB2 ASN A 58 -5.352 -7.494 -13.950 1.00 72.41 H new ATOM 0 HB3 ASN A 58 -3.878 -8.398 -14.237 1.00 72.41 H new ATOM 0 HD21 ASN A 58 -2.931 -7.234 -15.903 1.00 42.22 H new ATOM 0 HD22 ASN A 58 -3.750 -6.868 -17.425 1.00 42.22 H new ATOM 889 N ASN A 59 -5.718 -10.730 -12.409 1.00 20.52 N ATOM 890 CA ASN A 59 -5.204 -11.610 -11.366 1.00 62.34 C ATOM 891 C ASN A 59 -4.767 -12.950 -11.951 1.00 2.40 C ATOM 892 O ASN A 59 -5.428 -13.499 -12.833 1.00 52.30 O ATOM 893 CB ASN A 59 -6.267 -11.833 -10.289 1.00 53.13 C ATOM 894 CG ASN A 59 -5.721 -12.571 -9.082 1.00 13.42 C ATOM 895 OD1 ASN A 59 -4.513 -12.767 -8.954 1.00 1.11 O ATOM 896 ND2 ASN A 59 -6.613 -12.985 -8.189 1.00 13.12 N ATOM 0 H ASN A 59 -6.637 -10.334 -12.212 1.00 20.52 H new ATOM 0 HA ASN A 59 -4.335 -11.130 -10.916 1.00 62.34 H new ATOM 0 HB2 ASN A 59 -6.667 -10.870 -9.972 1.00 53.13 H new ATOM 0 HB3 ASN A 59 -7.097 -12.399 -10.713 1.00 53.13 H new ATOM 0 HD21 ASN A 59 -6.306 -13.488 -7.356 1.00 13.12 H new ATOM 0 HD22 ASN A 59 -7.605 -12.800 -8.336 1.00 13.12 H new ATOM 903 N SER A 60 -3.651 -13.471 -11.454 1.00 32.34 N ATOM 904 CA SER A 60 -3.123 -14.745 -11.929 1.00 10.42 C ATOM 905 C SER A 60 -4.105 -15.879 -11.645 1.00 22.03 C ATOM 906 O SER A 60 -4.135 -16.881 -12.360 1.00 15.23 O ATOM 907 CB SER A 60 -1.777 -15.043 -11.266 1.00 15.51 C ATOM 908 OG SER A 60 -0.736 -15.092 -12.226 1.00 74.30 O ATOM 0 H SER A 60 -3.094 -13.031 -10.722 1.00 32.34 H new ATOM 0 HA SER A 60 -2.980 -14.672 -13.007 1.00 10.42 H new ATOM 0 HB2 SER A 60 -1.556 -14.276 -10.524 1.00 15.51 H new ATOM 0 HB3 SER A 60 -1.832 -15.994 -10.735 1.00 15.51 H new ATOM 0 HG SER A 60 0.114 -15.282 -11.777 1.00 74.30 H new ATOM 914 N ASP A 61 -4.906 -15.711 -10.599 1.00 31.02 N ATOM 915 CA ASP A 61 -5.890 -16.719 -10.220 1.00 25.51 C ATOM 916 C ASP A 61 -7.025 -16.779 -11.238 1.00 32.44 C ATOM 917 O ASP A 61 -7.060 -16.001 -12.192 1.00 73.12 O ATOM 918 CB ASP A 61 -6.450 -16.417 -8.830 1.00 72.45 C ATOM 919 CG ASP A 61 -6.549 -17.659 -7.965 1.00 34.33 C ATOM 920 OD1 ASP A 61 -5.620 -18.492 -8.014 1.00 32.34 O ATOM 921 OD2 ASP A 61 -7.556 -17.798 -7.238 1.00 64.45 O ATOM 0 H ASP A 61 -4.894 -14.887 -9.998 1.00 31.02 H new ATOM 0 HA ASP A 61 -5.393 -17.689 -10.200 1.00 25.51 H new ATOM 0 HB2 ASP A 61 -5.813 -15.683 -8.336 1.00 72.45 H new ATOM 0 HB3 ASP A 61 -7.438 -15.967 -8.929 1.00 72.45 H new ATOM 926 N LYS A 62 -7.952 -17.707 -11.028 1.00 30.22 N ATOM 927 CA LYS A 62 -9.089 -17.870 -11.926 1.00 11.04 C ATOM 928 C LYS A 62 -10.400 -17.894 -11.145 1.00 61.44 C ATOM 929 O LYS A 62 -11.475 -18.048 -11.724 1.00 54.04 O ATOM 930 CB LYS A 62 -8.944 -19.158 -12.739 1.00 33.20 C ATOM 931 CG LYS A 62 -8.983 -20.419 -11.892 1.00 32.01 C ATOM 932 CD LYS A 62 -7.585 -20.886 -11.523 1.00 60.52 C ATOM 933 CE LYS A 62 -7.544 -21.467 -10.118 1.00 32.22 C ATOM 934 NZ LYS A 62 -6.477 -20.839 -9.289 1.00 64.41 N ATOM 0 H LYS A 62 -7.938 -18.358 -10.243 1.00 30.22 H new ATOM 0 HA LYS A 62 -9.107 -17.019 -12.607 1.00 11.04 H new ATOM 0 HB2 LYS A 62 -9.743 -19.203 -13.479 1.00 33.20 H new ATOM 0 HB3 LYS A 62 -8.003 -19.128 -13.288 1.00 33.20 H new ATOM 0 HG2 LYS A 62 -9.556 -20.231 -10.984 1.00 32.01 H new ATOM 0 HG3 LYS A 62 -9.499 -21.209 -12.437 1.00 32.01 H new ATOM 0 HD2 LYS A 62 -7.251 -21.637 -12.238 1.00 60.52 H new ATOM 0 HD3 LYS A 62 -6.891 -20.049 -11.592 1.00 60.52 H new ATOM 0 HE2 LYS A 62 -8.511 -21.322 -9.636 1.00 32.22 H new ATOM 0 HE3 LYS A 62 -7.375 -22.542 -10.174 1.00 32.22 H new ATOM 0 HZ1 LYS A 62 -6.666 -21.023 -8.283 1.00 64.41 H new ATOM 0 HZ2 LYS A 62 -5.554 -21.242 -9.548 1.00 64.41 H new ATOM 0 HZ3 LYS A 62 -6.466 -19.813 -9.457 1.00 64.41 H new ATOM 948 N ARG A 63 -10.302 -17.739 -9.829 1.00 60.25 N ATOM 949 CA ARG A 63 -11.479 -17.743 -8.969 1.00 63.31 C ATOM 950 C ARG A 63 -11.775 -16.341 -8.446 1.00 2.40 C ATOM 951 O ARG A 63 -12.931 -15.984 -8.215 1.00 33.42 O ATOM 952 CB ARG A 63 -11.278 -18.705 -7.797 1.00 22.24 C ATOM 953 CG ARG A 63 -11.111 -20.155 -8.220 1.00 32.33 C ATOM 954 CD ARG A 63 -12.287 -20.630 -9.058 1.00 3.21 C ATOM 955 NE ARG A 63 -12.855 -21.875 -8.549 1.00 53.41 N ATOM 956 CZ ARG A 63 -13.952 -22.439 -9.042 1.00 11.34 C ATOM 957 NH1 ARG A 63 -14.595 -21.872 -10.053 1.00 22.12 N ATOM 958 NH2 ARG A 63 -14.407 -23.573 -8.524 1.00 42.43 N ATOM 0 H ARG A 63 -9.419 -17.609 -9.335 1.00 60.25 H new ATOM 0 HA ARG A 63 -12.330 -18.078 -9.562 1.00 63.31 H new ATOM 0 HB2 ARG A 63 -10.398 -18.397 -7.232 1.00 22.24 H new ATOM 0 HB3 ARG A 63 -12.132 -18.628 -7.124 1.00 22.24 H new ATOM 0 HG2 ARG A 63 -10.189 -20.265 -8.790 1.00 32.33 H new ATOM 0 HG3 ARG A 63 -11.016 -20.784 -7.335 1.00 32.33 H new ATOM 0 HD2 ARG A 63 -13.057 -19.859 -9.071 1.00 3.21 H new ATOM 0 HD3 ARG A 63 -11.963 -20.774 -10.089 1.00 3.21 H new ATOM 0 HE ARG A 63 -12.383 -22.337 -7.772 1.00 53.41 H new ATOM 0 HH11 ARG A 63 -14.248 -21.001 -10.454 1.00 22.12 H new ATOM 0 HH12 ARG A 63 -15.437 -22.307 -10.430 1.00 22.12 H new ATOM 0 HH21 ARG A 63 -13.914 -24.012 -7.746 1.00 42.43 H new ATOM 0 HH22 ARG A 63 -15.249 -24.005 -8.903 1.00 42.43 H new ATOM 972 N PHE A 64 -10.724 -15.550 -8.261 1.00 30.43 N ATOM 973 CA PHE A 64 -10.870 -14.187 -7.762 1.00 4.11 C ATOM 974 C PHE A 64 -10.319 -13.180 -8.768 1.00 11.42 C ATOM 975 O PHE A 64 -9.920 -12.075 -8.400 1.00 2.53 O ATOM 976 CB PHE A 64 -10.151 -14.032 -6.421 1.00 31.03 C ATOM 977 CG PHE A 64 -11.047 -14.236 -5.234 1.00 35.42 C ATOM 978 CD1 PHE A 64 -11.891 -15.332 -5.167 1.00 61.35 C ATOM 979 CD2 PHE A 64 -11.045 -13.332 -4.184 1.00 10.54 C ATOM 980 CE1 PHE A 64 -12.717 -15.524 -4.075 1.00 34.44 C ATOM 981 CE2 PHE A 64 -11.868 -13.518 -3.089 1.00 3.10 C ATOM 982 CZ PHE A 64 -12.706 -14.615 -3.035 1.00 51.41 C ATOM 0 H PHE A 64 -9.761 -15.829 -8.449 1.00 30.43 H new ATOM 0 HA PHE A 64 -11.932 -13.989 -7.620 1.00 4.11 H new ATOM 0 HB2 PHE A 64 -9.330 -14.747 -6.373 1.00 31.03 H new ATOM 0 HB3 PHE A 64 -9.710 -13.036 -6.367 1.00 31.03 H new ATOM 0 HD1 PHE A 64 -11.904 -16.045 -5.978 1.00 61.35 H new ATOM 0 HD2 PHE A 64 -10.393 -12.472 -4.221 1.00 10.54 H new ATOM 0 HE1 PHE A 64 -13.370 -16.383 -4.035 1.00 34.44 H new ATOM 0 HE2 PHE A 64 -11.856 -12.806 -2.277 1.00 3.10 H new ATOM 0 HZ PHE A 64 -13.351 -14.762 -2.181 1.00 51.41 H new ATOM 992 N ALA A 65 -10.301 -13.569 -10.038 1.00 5.32 N ATOM 993 CA ALA A 65 -9.802 -12.700 -11.097 1.00 51.41 C ATOM 994 C ALA A 65 -10.947 -11.984 -11.805 1.00 32.14 C ATOM 995 O ALA A 65 -11.293 -12.315 -12.938 1.00 42.03 O ATOM 996 CB ALA A 65 -8.982 -13.503 -12.095 1.00 31.12 C ATOM 0 H ALA A 65 -10.626 -14.481 -10.359 1.00 5.32 H new ATOM 0 HA ALA A 65 -9.162 -11.944 -10.642 1.00 51.41 H new ATOM 0 HB1 ALA A 65 -8.616 -12.842 -12.880 1.00 31.12 H new ATOM 0 HB2 ALA A 65 -8.136 -13.963 -11.584 1.00 31.12 H new ATOM 0 HB3 ALA A 65 -9.606 -14.280 -12.537 1.00 31.12 H new ATOM 1002 N ASP A 66 -11.532 -11.000 -11.129 1.00 33.52 N ATOM 1003 CA ASP A 66 -12.637 -10.236 -11.693 1.00 43.35 C ATOM 1004 C ASP A 66 -13.085 -9.138 -10.734 1.00 50.34 C ATOM 1005 O ASP A 66 -13.102 -9.330 -9.518 1.00 52.15 O ATOM 1006 CB ASP A 66 -13.813 -11.161 -12.014 1.00 35.45 C ATOM 1007 CG ASP A 66 -13.909 -11.484 -13.492 1.00 72.55 C ATOM 1008 OD1 ASP A 66 -14.110 -10.548 -14.293 1.00 63.21 O ATOM 1009 OD2 ASP A 66 -13.780 -12.674 -13.848 1.00 41.43 O ATOM 0 H ASP A 66 -11.258 -10.714 -10.189 1.00 33.52 H new ATOM 0 HA ASP A 66 -12.290 -9.769 -12.614 1.00 43.35 H new ATOM 0 HB2 ASP A 66 -13.708 -12.087 -11.449 1.00 35.45 H new ATOM 0 HB3 ASP A 66 -14.741 -10.691 -11.687 1.00 35.45 H new ATOM 1014 N CYS A 67 -13.447 -7.986 -11.288 1.00 32.44 N ATOM 1015 CA CYS A 67 -13.893 -6.856 -10.483 1.00 61.01 C ATOM 1016 C CYS A 67 -15.141 -7.217 -9.684 1.00 52.22 C ATOM 1017 O CYS A 67 -15.417 -6.624 -8.641 1.00 74.41 O ATOM 1018 CB CYS A 67 -14.178 -5.647 -11.377 1.00 73.51 C ATOM 1019 SG CYS A 67 -12.745 -4.548 -11.619 1.00 12.25 S ATOM 0 H CYS A 67 -13.440 -7.811 -12.293 1.00 32.44 H new ATOM 0 HA CYS A 67 -13.096 -6.603 -9.784 1.00 61.01 H new ATOM 0 HB2 CYS A 67 -14.520 -6.000 -12.350 1.00 73.51 H new ATOM 0 HB3 CYS A 67 -14.995 -5.071 -10.942 1.00 73.51 H new ATOM 1024 N SER A 68 -15.894 -8.193 -10.181 1.00 44.14 N ATOM 1025 CA SER A 68 -17.115 -8.632 -9.516 1.00 12.12 C ATOM 1026 C SER A 68 -16.795 -9.342 -8.205 1.00 73.43 C ATOM 1027 O SER A 68 -17.659 -9.499 -7.342 1.00 1.12 O ATOM 1028 CB SER A 68 -17.914 -9.562 -10.432 1.00 15.22 C ATOM 1029 OG SER A 68 -19.298 -9.511 -10.129 1.00 20.24 O ATOM 0 H SER A 68 -15.680 -8.695 -11.043 1.00 44.14 H new ATOM 0 HA SER A 68 -17.715 -7.750 -9.293 1.00 12.12 H new ATOM 0 HB2 SER A 68 -17.756 -9.277 -11.472 1.00 15.22 H new ATOM 0 HB3 SER A 68 -17.552 -10.584 -10.323 1.00 15.22 H new ATOM 0 HG SER A 68 -19.787 -10.113 -10.729 1.00 20.24 H new ATOM 1035 N LYS A 69 -15.545 -9.771 -8.061 1.00 42.05 N ATOM 1036 CA LYS A 69 -15.107 -10.465 -6.856 1.00 10.23 C ATOM 1037 C LYS A 69 -15.058 -9.510 -5.668 1.00 33.21 C ATOM 1038 O LYS A 69 -14.915 -9.937 -4.522 1.00 53.11 O ATOM 1039 CB LYS A 69 -13.730 -11.093 -7.077 1.00 50.10 C ATOM 1040 CG LYS A 69 -13.643 -11.943 -8.334 1.00 13.13 C ATOM 1041 CD LYS A 69 -14.403 -13.248 -8.177 1.00 41.34 C ATOM 1042 CE LYS A 69 -15.864 -13.095 -8.572 1.00 1.23 C ATOM 1043 NZ LYS A 69 -16.781 -13.542 -7.487 1.00 11.24 N ATOM 0 H LYS A 69 -14.817 -9.650 -8.765 1.00 42.05 H new ATOM 0 HA LYS A 69 -15.827 -11.253 -6.637 1.00 10.23 H new ATOM 0 HB2 LYS A 69 -12.983 -10.301 -7.132 1.00 50.10 H new ATOM 0 HB3 LYS A 69 -13.478 -11.709 -6.214 1.00 50.10 H new ATOM 0 HG2 LYS A 69 -14.046 -11.386 -9.180 1.00 13.13 H new ATOM 0 HG3 LYS A 69 -12.598 -12.154 -8.560 1.00 13.13 H new ATOM 0 HD2 LYS A 69 -13.937 -14.017 -8.793 1.00 41.34 H new ATOM 0 HD3 LYS A 69 -14.338 -13.585 -7.143 1.00 41.34 H new ATOM 0 HE2 LYS A 69 -16.068 -12.052 -8.813 1.00 1.23 H new ATOM 0 HE3 LYS A 69 -16.059 -13.675 -9.474 1.00 1.23 H new ATOM 0 HZ1 LYS A 69 -17.679 -13.022 -7.555 1.00 11.24 H new ATOM 0 HZ2 LYS A 69 -16.963 -14.561 -7.584 1.00 11.24 H new ATOM 0 HZ3 LYS A 69 -16.342 -13.355 -6.563 1.00 11.24 H new ATOM 1057 N SER A 70 -15.177 -8.216 -5.948 1.00 14.32 N ATOM 1058 CA SER A 70 -15.143 -7.201 -4.901 1.00 52.51 C ATOM 1059 C SER A 70 -13.784 -7.180 -4.208 1.00 22.40 C ATOM 1060 O SER A 70 -12.834 -7.816 -4.664 1.00 63.32 O ATOM 1061 CB SER A 70 -16.248 -7.460 -3.875 1.00 20.53 C ATOM 1062 OG SER A 70 -16.628 -6.260 -3.222 1.00 43.14 O ATOM 0 H SER A 70 -15.298 -7.846 -6.891 1.00 14.32 H new ATOM 0 HA SER A 70 -15.309 -6.229 -5.366 1.00 52.51 H new ATOM 0 HB2 SER A 70 -17.114 -7.898 -4.371 1.00 20.53 H new ATOM 0 HB3 SER A 70 -15.902 -8.185 -3.138 1.00 20.53 H new ATOM 0 HG SER A 70 -17.337 -6.451 -2.572 1.00 43.14 H new ATOM 1068 N GLN A 71 -13.700 -6.445 -3.105 1.00 13.53 N ATOM 1069 CA GLN A 71 -12.458 -6.340 -2.348 1.00 2.31 C ATOM 1070 C GLN A 71 -12.072 -7.687 -1.748 1.00 32.21 C ATOM 1071 O GLN A 71 -12.934 -8.471 -1.354 1.00 51.01 O ATOM 1072 CB GLN A 71 -12.597 -5.294 -1.241 1.00 60.05 C ATOM 1073 CG GLN A 71 -11.394 -5.227 -0.314 1.00 20.24 C ATOM 1074 CD GLN A 71 -10.995 -3.802 0.021 1.00 63.33 C ATOM 1075 OE1 GLN A 71 -11.846 -2.924 0.160 1.00 32.14 O ATOM 1076 NE2 GLN A 71 -9.695 -3.567 0.151 1.00 35.13 N ATOM 0 H GLN A 71 -14.478 -5.913 -2.715 1.00 13.53 H new ATOM 0 HA GLN A 71 -11.669 -6.029 -3.033 1.00 2.31 H new ATOM 0 HB2 GLN A 71 -12.751 -4.315 -1.695 1.00 60.05 H new ATOM 0 HB3 GLN A 71 -13.487 -5.516 -0.652 1.00 60.05 H new ATOM 0 HG2 GLN A 71 -11.620 -5.764 0.608 1.00 20.24 H new ATOM 0 HG3 GLN A 71 -10.551 -5.736 -0.781 1.00 20.24 H new ATOM 0 HE21 GLN A 71 -9.025 -4.326 0.027 1.00 35.13 H new ATOM 0 HE22 GLN A 71 -9.366 -2.628 0.375 1.00 35.13 H new ATOM 1085 N GLU A 72 -10.770 -7.949 -1.681 1.00 31.54 N ATOM 1086 CA GLU A 72 -10.270 -9.202 -1.129 1.00 52.22 C ATOM 1087 C GLU A 72 -10.278 -9.165 0.397 1.00 74.33 C ATOM 1088 O GLU A 72 -10.889 -10.014 1.045 1.00 72.41 O ATOM 1089 CB GLU A 72 -8.854 -9.480 -1.636 1.00 61.13 C ATOM 1090 CG GLU A 72 -8.816 -10.113 -3.018 1.00 34.34 C ATOM 1091 CD GLU A 72 -9.807 -9.482 -3.975 1.00 62.04 C ATOM 1092 OE1 GLU A 72 -9.719 -8.256 -4.197 1.00 53.24 O ATOM 1093 OE2 GLU A 72 -10.671 -10.213 -4.504 1.00 73.31 O ATOM 0 H GLU A 72 -10.043 -7.310 -2.002 1.00 31.54 H new ATOM 0 HA GLU A 72 -10.930 -10.004 -1.460 1.00 52.22 H new ATOM 0 HB2 GLU A 72 -8.295 -8.545 -1.658 1.00 61.13 H new ATOM 0 HB3 GLU A 72 -8.347 -10.138 -0.930 1.00 61.13 H new ATOM 0 HG2 GLU A 72 -7.811 -10.020 -3.429 1.00 34.34 H new ATOM 0 HG3 GLU A 72 -9.028 -11.179 -2.932 1.00 34.34 H new ATOM 1100 N MET A 73 -9.592 -8.177 0.962 1.00 72.20 N ATOM 1101 CA MET A 73 -9.520 -8.029 2.412 1.00 65.21 C ATOM 1102 C MET A 73 -10.058 -6.670 2.846 1.00 15.20 C ATOM 1103 O MET A 73 -9.928 -5.681 2.126 1.00 2.53 O ATOM 1104 CB MET A 73 -8.077 -8.198 2.891 1.00 20.34 C ATOM 1105 CG MET A 73 -7.557 -9.620 2.766 1.00 45.01 C ATOM 1106 SD MET A 73 -6.356 -10.036 4.045 1.00 23.41 S ATOM 1107 CE MET A 73 -5.480 -8.481 4.206 1.00 2.50 C ATOM 0 H MET A 73 -9.078 -7.468 0.439 1.00 72.20 H new ATOM 0 HA MET A 73 -10.138 -8.805 2.864 1.00 65.21 H new ATOM 0 HB2 MET A 73 -7.432 -7.533 2.317 1.00 20.34 H new ATOM 0 HB3 MET A 73 -8.010 -7.886 3.933 1.00 20.34 H new ATOM 0 HG2 MET A 73 -8.395 -10.315 2.820 1.00 45.01 H new ATOM 0 HG3 MET A 73 -7.098 -9.750 1.786 1.00 45.01 H new ATOM 0 HE1 MET A 73 -4.414 -8.675 4.329 1.00 2.50 H new ATOM 0 HE2 MET A 73 -5.639 -7.880 3.311 1.00 2.50 H new ATOM 0 HE3 MET A 73 -5.853 -7.941 5.076 1.00 2.50 H new ATOM 1117 N SER A 74 -10.662 -6.629 4.031 1.00 24.34 N ATOM 1118 CA SER A 74 -11.223 -5.391 4.560 1.00 22.04 C ATOM 1119 C SER A 74 -10.129 -4.352 4.787 1.00 25.13 C ATOM 1120 O SER A 74 -8.972 -4.695 5.025 1.00 2.00 O ATOM 1121 CB SER A 74 -11.964 -5.662 5.870 1.00 3.31 C ATOM 1122 OG SER A 74 -12.790 -6.808 5.761 1.00 2.51 O ATOM 0 H SER A 74 -10.775 -7.438 4.642 1.00 24.34 H new ATOM 0 HA SER A 74 -11.927 -4.997 3.827 1.00 22.04 H new ATOM 0 HB2 SER A 74 -11.244 -5.804 6.676 1.00 3.31 H new ATOM 0 HB3 SER A 74 -12.571 -4.796 6.134 1.00 3.31 H new ATOM 0 HG SER A 74 -13.251 -6.961 6.612 1.00 2.51 H new ATOM 1128 N ASN A 75 -10.505 -3.079 4.709 1.00 74.12 N ATOM 1129 CA ASN A 75 -9.556 -1.989 4.906 1.00 4.33 C ATOM 1130 C ASN A 75 -8.761 -2.185 6.192 1.00 1.10 C ATOM 1131 O ASN A 75 -7.553 -1.955 6.226 1.00 75.20 O ATOM 1132 CB ASN A 75 -10.291 -0.648 4.946 1.00 45.41 C ATOM 1133 CG ASN A 75 -10.214 0.094 3.625 1.00 62.11 C ATOM 1134 OD1 ASN A 75 -11.234 0.505 3.071 1.00 25.31 O ATOM 1135 ND2 ASN A 75 -9.001 0.268 3.114 1.00 31.52 N ATOM 0 H ASN A 75 -11.459 -2.777 4.511 1.00 74.12 H new ATOM 0 HA ASN A 75 -8.860 -1.990 4.067 1.00 4.33 H new ATOM 0 HB2 ASN A 75 -11.336 -0.817 5.204 1.00 45.41 H new ATOM 0 HB3 ASN A 75 -9.865 -0.027 5.734 1.00 45.41 H new ATOM 0 HD21 ASN A 75 -8.887 0.759 2.228 1.00 31.52 H new ATOM 0 HD22 ASN A 75 -8.183 -0.090 3.608 1.00 31.52 H new ATOM 1142 N GLU A 76 -9.448 -2.611 7.247 1.00 35.41 N ATOM 1143 CA GLU A 76 -8.805 -2.837 8.536 1.00 31.13 C ATOM 1144 C GLU A 76 -7.727 -3.912 8.426 1.00 3.21 C ATOM 1145 O GLU A 76 -6.613 -3.741 8.919 1.00 14.31 O ATOM 1146 CB GLU A 76 -9.842 -3.246 9.584 1.00 10.31 C ATOM 1147 CG GLU A 76 -10.681 -4.445 9.175 1.00 20.13 C ATOM 1148 CD GLU A 76 -11.849 -4.685 10.111 1.00 51.32 C ATOM 1149 OE1 GLU A 76 -11.650 -4.607 11.341 1.00 22.15 O ATOM 1150 OE2 GLU A 76 -12.963 -4.953 9.613 1.00 3.15 O ATOM 0 H GLU A 76 -10.449 -2.806 7.235 1.00 35.41 H new ATOM 0 HA GLU A 76 -8.334 -1.904 8.846 1.00 31.13 H new ATOM 0 HB2 GLU A 76 -9.331 -3.473 10.519 1.00 10.31 H new ATOM 0 HB3 GLU A 76 -10.502 -2.401 9.779 1.00 10.31 H new ATOM 0 HG2 GLU A 76 -11.056 -4.293 8.163 1.00 20.13 H new ATOM 0 HG3 GLU A 76 -10.051 -5.334 9.151 1.00 20.13 H new ATOM 1157 N GLU A 77 -8.068 -5.019 7.774 1.00 2.11 N ATOM 1158 CA GLU A 77 -7.130 -6.122 7.600 1.00 4.32 C ATOM 1159 C GLU A 77 -5.873 -5.656 6.871 1.00 61.24 C ATOM 1160 O GLU A 77 -4.755 -5.981 7.272 1.00 14.52 O ATOM 1161 CB GLU A 77 -7.790 -7.263 6.823 1.00 72.34 C ATOM 1162 CG GLU A 77 -7.236 -8.635 7.170 1.00 53.15 C ATOM 1163 CD GLU A 77 -7.642 -9.094 8.557 1.00 40.20 C ATOM 1164 OE1 GLU A 77 -8.838 -9.396 8.755 1.00 60.01 O ATOM 1165 OE2 GLU A 77 -6.765 -9.151 9.443 1.00 72.01 O ATOM 0 H GLU A 77 -8.986 -5.176 7.358 1.00 2.11 H new ATOM 0 HA GLU A 77 -6.844 -6.482 8.588 1.00 4.32 H new ATOM 0 HB2 GLU A 77 -8.862 -7.253 7.020 1.00 72.34 H new ATOM 0 HB3 GLU A 77 -7.660 -7.087 5.755 1.00 72.34 H new ATOM 0 HG2 GLU A 77 -7.585 -9.360 6.435 1.00 53.15 H new ATOM 0 HG3 GLU A 77 -6.148 -8.611 7.103 1.00 53.15 H new ATOM 1172 N ILE A 78 -6.065 -4.896 5.799 1.00 33.11 N ATOM 1173 CA ILE A 78 -4.946 -4.385 5.015 1.00 53.54 C ATOM 1174 C ILE A 78 -4.139 -3.365 5.809 1.00 75.43 C ATOM 1175 O ILE A 78 -2.913 -3.447 5.878 1.00 71.34 O ATOM 1176 CB ILE A 78 -5.429 -3.735 3.705 1.00 32.34 C ATOM 1177 CG1 ILE A 78 -6.211 -4.746 2.864 1.00 21.44 C ATOM 1178 CG2 ILE A 78 -4.246 -3.186 2.920 1.00 43.21 C ATOM 1179 CD1 ILE A 78 -7.442 -4.163 2.207 1.00 54.51 C ATOM 0 H ILE A 78 -6.984 -4.620 5.453 1.00 33.11 H new ATOM 0 HA ILE A 78 -4.311 -5.238 4.776 1.00 53.54 H new ATOM 0 HB ILE A 78 -6.094 -2.907 3.951 1.00 32.34 H new ATOM 0 HG12 ILE A 78 -5.555 -5.150 2.093 1.00 21.44 H new ATOM 0 HG13 ILE A 78 -6.509 -5.581 3.498 1.00 21.44 H new ATOM 0 HG21 ILE A 78 -4.602 -2.730 1.997 1.00 43.21 H new ATOM 0 HG22 ILE A 78 -3.728 -2.437 3.519 1.00 43.21 H new ATOM 0 HG23 ILE A 78 -3.559 -3.998 2.682 1.00 43.21 H new ATOM 0 HD11 ILE A 78 -7.946 -4.936 1.628 1.00 54.51 H new ATOM 0 HD12 ILE A 78 -8.119 -3.785 2.973 1.00 54.51 H new ATOM 0 HD13 ILE A 78 -7.150 -3.347 1.546 1.00 54.51 H new ATOM 1191 N ASN A 79 -4.834 -2.405 6.409 1.00 2.22 N ATOM 1192 CA ASN A 79 -4.182 -1.368 7.200 1.00 22.24 C ATOM 1193 C ASN A 79 -3.247 -1.983 8.237 1.00 31.33 C ATOM 1194 O ASN A 79 -2.100 -1.560 8.381 1.00 73.31 O ATOM 1195 CB ASN A 79 -5.227 -0.493 7.895 1.00 52.25 C ATOM 1196 CG ASN A 79 -4.948 -0.326 9.377 1.00 43.55 C ATOM 1197 OD1 ASN A 79 -5.600 -1.142 10.197 1.00 42.13 O flip ATOM 1198 ND2 ASN A 79 -4.156 0.526 9.779 1.00 51.35 N flip ATOM 0 H ASN A 79 -5.850 -2.323 6.363 1.00 2.22 H new ATOM 0 HA ASN A 79 -3.591 -0.749 6.525 1.00 22.24 H new ATOM 0 HB2 ASN A 79 -5.250 0.488 7.420 1.00 52.25 H new ATOM 0 HB3 ASN A 79 -6.214 -0.935 7.761 1.00 52.25 H new ATOM 0 HD21 ASN A 79 -3.677 1.132 9.113 1.00 51.35 H new ATOM 0 HD22 ASN A 79 -3.979 0.626 10.778 1.00 51.35 H new ATOM 1205 N GLU A 80 -3.745 -2.985 8.956 1.00 24.24 N ATOM 1206 CA GLU A 80 -2.954 -3.658 9.978 1.00 21.21 C ATOM 1207 C GLU A 80 -1.942 -4.610 9.345 1.00 75.01 C ATOM 1208 O GLU A 80 -0.883 -4.873 9.914 1.00 4.21 O ATOM 1209 CB GLU A 80 -3.865 -4.428 10.935 1.00 55.41 C ATOM 1210 CG GLU A 80 -4.145 -5.854 10.495 1.00 62.43 C ATOM 1211 CD GLU A 80 -3.089 -6.831 10.975 1.00 62.31 C ATOM 1212 OE1 GLU A 80 -2.571 -6.642 12.096 1.00 23.50 O ATOM 1213 OE2 GLU A 80 -2.780 -7.784 10.230 1.00 64.30 O ATOM 0 H GLU A 80 -4.692 -3.348 8.849 1.00 24.24 H new ATOM 0 HA GLU A 80 -2.410 -2.898 10.538 1.00 21.21 H new ATOM 0 HB2 GLU A 80 -3.407 -4.445 11.924 1.00 55.41 H new ATOM 0 HB3 GLU A 80 -4.811 -3.894 11.031 1.00 55.41 H new ATOM 0 HG2 GLU A 80 -5.119 -6.163 10.874 1.00 62.43 H new ATOM 0 HG3 GLU A 80 -4.200 -5.890 9.407 1.00 62.43 H new ATOM 1220 N GLU A 81 -2.279 -5.123 8.166 1.00 2.04 N ATOM 1221 CA GLU A 81 -1.401 -6.046 7.457 1.00 1.35 C ATOM 1222 C GLU A 81 -0.054 -5.396 7.159 1.00 31.45 C ATOM 1223 O GLU A 81 0.999 -5.945 7.486 1.00 60.40 O ATOM 1224 CB GLU A 81 -2.056 -6.507 6.153 1.00 52.25 C ATOM 1225 CG GLU A 81 -1.152 -7.372 5.291 1.00 43.34 C ATOM 1226 CD GLU A 81 -0.707 -8.638 5.999 1.00 4.44 C ATOM 1227 OE1 GLU A 81 -1.568 -9.505 6.259 1.00 31.13 O ATOM 1228 OE2 GLU A 81 0.500 -8.760 6.293 1.00 65.20 O ATOM 0 H GLU A 81 -3.153 -4.915 7.682 1.00 2.04 H new ATOM 0 HA GLU A 81 -1.233 -6.912 8.098 1.00 1.35 H new ATOM 0 HB2 GLU A 81 -2.962 -7.065 6.389 1.00 52.25 H new ATOM 0 HB3 GLU A 81 -2.361 -5.631 5.580 1.00 52.25 H new ATOM 0 HG2 GLU A 81 -1.677 -7.639 4.374 1.00 43.34 H new ATOM 0 HG3 GLU A 81 -0.274 -6.796 4.999 1.00 43.34 H new ATOM 1235 N LEU A 82 -0.093 -4.223 6.538 1.00 23.13 N ATOM 1236 CA LEU A 82 1.124 -3.496 6.194 1.00 72.44 C ATOM 1237 C LEU A 82 1.571 -2.607 7.351 1.00 24.21 C ATOM 1238 O LEU A 82 2.761 -2.341 7.519 1.00 73.34 O ATOM 1239 CB LEU A 82 0.901 -2.649 4.940 1.00 14.32 C ATOM 1240 CG LEU A 82 0.219 -3.354 3.768 1.00 0.44 C ATOM 1241 CD1 LEU A 82 -1.225 -2.896 3.637 1.00 1.40 C ATOM 1242 CD2 LEU A 82 0.980 -3.097 2.475 1.00 71.51 C ATOM 0 H LEU A 82 -0.956 -3.754 6.262 1.00 23.13 H new ATOM 0 HA LEU A 82 1.909 -4.225 5.995 1.00 72.44 H new ATOM 0 HB2 LEU A 82 0.302 -1.780 5.214 1.00 14.32 H new ATOM 0 HB3 LEU A 82 1.867 -2.276 4.601 1.00 14.32 H new ATOM 0 HG LEU A 82 0.223 -4.427 3.962 1.00 0.44 H new ATOM 0 HD11 LEU A 82 -1.695 -3.409 2.797 1.00 1.40 H new ATOM 0 HD12 LEU A 82 -1.766 -3.131 4.554 1.00 1.40 H new ATOM 0 HD13 LEU A 82 -1.251 -1.820 3.466 1.00 1.40 H new ATOM 0 HD21 LEU A 82 0.480 -3.607 1.651 1.00 71.51 H new ATOM 0 HD22 LEU A 82 1.008 -2.026 2.276 1.00 71.51 H new ATOM 0 HD23 LEU A 82 1.998 -3.474 2.571 1.00 71.51 H new ATOM 1254 N GLY A 83 0.609 -2.149 8.145 1.00 12.30 N ATOM 1255 CA GLY A 83 0.923 -1.296 9.277 1.00 44.20 C ATOM 1256 C GLY A 83 0.868 0.177 8.925 1.00 4.43 C ATOM 1257 O GLY A 83 1.686 0.966 9.397 1.00 55.33 O ATOM 0 H GLY A 83 -0.383 -2.353 8.025 1.00 12.30 H new ATOM 0 HA2 GLY A 83 0.222 -1.499 10.087 1.00 44.20 H new ATOM 0 HA3 GLY A 83 1.918 -1.541 9.648 1.00 44.20 H new ATOM 1261 N ILE A 84 -0.099 0.548 8.092 1.00 2.15 N ATOM 1262 CA ILE A 84 -0.257 1.937 7.676 1.00 14.31 C ATOM 1263 C ILE A 84 -1.446 2.587 8.376 1.00 45.31 C ATOM 1264 O ILE A 84 -2.079 1.982 9.240 1.00 0.41 O ATOM 1265 CB ILE A 84 -0.446 2.051 6.153 1.00 42.21 C ATOM 1266 CG1 ILE A 84 -1.726 1.332 5.721 1.00 43.41 C ATOM 1267 CG2 ILE A 84 0.761 1.478 5.425 1.00 2.23 C ATOM 1268 CD1 ILE A 84 -2.051 1.505 4.253 1.00 2.34 C ATOM 0 H ILE A 84 -0.784 -0.093 7.692 1.00 2.15 H new ATOM 0 HA ILE A 84 0.658 2.458 7.959 1.00 14.31 H new ATOM 0 HB ILE A 84 -0.537 3.105 5.891 1.00 42.21 H new ATOM 0 HG12 ILE A 84 -1.627 0.269 5.940 1.00 43.41 H new ATOM 0 HG13 ILE A 84 -2.560 1.704 6.316 1.00 43.41 H new ATOM 0 HG21 ILE A 84 0.612 1.566 4.349 1.00 2.23 H new ATOM 0 HG22 ILE A 84 1.656 2.029 5.714 1.00 2.23 H new ATOM 0 HG23 ILE A 84 0.881 0.428 5.690 1.00 2.23 H new ATOM 0 HD11 ILE A 84 -2.970 0.969 4.018 1.00 2.34 H new ATOM 0 HD12 ILE A 84 -2.182 2.564 4.032 1.00 2.34 H new ATOM 0 HD13 ILE A 84 -1.235 1.107 3.650 1.00 2.34 H new ATOM 1280 N GLY A 85 -1.746 3.825 7.993 1.00 53.45 N ATOM 1281 CA GLY A 85 -2.860 4.537 8.591 1.00 74.13 C ATOM 1282 C GLY A 85 -3.935 4.887 7.582 1.00 63.22 C ATOM 1283 O GLY A 85 -4.214 6.062 7.345 1.00 52.51 O ATOM 0 H GLY A 85 -1.237 4.347 7.279 1.00 53.45 H new ATOM 0 HA2 GLY A 85 -3.294 3.926 9.382 1.00 74.13 H new ATOM 0 HA3 GLY A 85 -2.494 5.451 9.058 1.00 74.13 H new ATOM 1287 N GLN A 86 -4.537 3.865 6.982 1.00 54.23 N ATOM 1288 CA GLN A 86 -5.586 4.071 5.989 1.00 35.41 C ATOM 1289 C GLN A 86 -6.669 4.999 6.528 1.00 64.03 C ATOM 1290 O GLN A 86 -6.717 5.287 7.724 1.00 71.54 O ATOM 1291 CB GLN A 86 -6.200 2.732 5.581 1.00 51.12 C ATOM 1292 CG GLN A 86 -5.746 2.246 4.214 1.00 43.44 C ATOM 1293 CD GLN A 86 -5.896 0.747 4.047 1.00 41.54 C ATOM 1294 OE1 GLN A 86 -6.744 0.121 4.686 1.00 11.01 O ATOM 1295 NE2 GLN A 86 -5.073 0.161 3.186 1.00 45.20 N ATOM 0 H GLN A 86 -4.317 2.886 7.166 1.00 54.23 H new ATOM 0 HA GLN A 86 -5.137 4.538 5.112 1.00 35.41 H new ATOM 0 HB2 GLN A 86 -5.943 1.981 6.328 1.00 51.12 H new ATOM 0 HB3 GLN A 86 -7.286 2.824 5.582 1.00 51.12 H new ATOM 0 HG2 GLN A 86 -6.325 2.753 3.442 1.00 43.44 H new ATOM 0 HG3 GLN A 86 -4.702 2.522 4.063 1.00 43.44 H new ATOM 0 HE21 GLN A 86 -4.386 0.718 2.678 1.00 45.20 H new ATOM 0 HE22 GLN A 86 -5.128 -0.846 3.032 1.00 45.20 H new ATOM 1304 N ASP A 87 -7.538 5.463 5.638 1.00 3.22 N ATOM 1305 CA ASP A 87 -8.623 6.359 6.023 1.00 2.41 C ATOM 1306 C ASP A 87 -9.675 5.617 6.842 1.00 31.24 C ATOM 1307 O ASP A 87 -10.684 5.162 6.306 1.00 44.32 O ATOM 1308 CB ASP A 87 -9.268 6.978 4.781 1.00 54.03 C ATOM 1309 CG ASP A 87 -8.557 8.237 4.326 1.00 14.21 C ATOM 1310 OD1 ASP A 87 -8.685 9.271 5.015 1.00 63.22 O ATOM 1311 OD2 ASP A 87 -7.874 8.188 3.282 1.00 12.42 O ATOM 0 H ASP A 87 -7.513 5.234 4.644 1.00 3.22 H new ATOM 0 HA ASP A 87 -8.203 7.154 6.639 1.00 2.41 H new ATOM 0 HB2 ASP A 87 -9.263 6.249 3.971 1.00 54.03 H new ATOM 0 HB3 ASP A 87 -10.311 7.210 4.995 1.00 54.03 H new ATOM 1316 N GLU A 88 -9.430 5.499 8.143 1.00 74.34 N ATOM 1317 CA GLU A 88 -10.356 4.810 9.034 1.00 13.14 C ATOM 1318 C GLU A 88 -11.558 5.693 9.358 1.00 23.11 C ATOM 1319 O GLU A 88 -12.697 5.229 9.368 1.00 41.33 O ATOM 1320 CB GLU A 88 -9.645 4.402 10.327 1.00 53.33 C ATOM 1321 CG GLU A 88 -8.278 3.780 10.100 1.00 74.00 C ATOM 1322 CD GLU A 88 -8.319 2.622 9.123 1.00 54.11 C ATOM 1323 OE1 GLU A 88 -8.340 2.877 7.901 1.00 62.34 O ATOM 1324 OE2 GLU A 88 -8.331 1.460 9.581 1.00 31.53 O ATOM 0 H GLU A 88 -8.599 5.871 8.603 1.00 74.34 H new ATOM 0 HA GLU A 88 -10.712 3.914 8.525 1.00 13.14 H new ATOM 0 HB2 GLU A 88 -9.534 5.280 10.963 1.00 53.33 H new ATOM 0 HB3 GLU A 88 -10.272 3.693 10.868 1.00 53.33 H new ATOM 0 HG2 GLU A 88 -7.594 4.542 9.726 1.00 74.00 H new ATOM 0 HG3 GLU A 88 -7.878 3.433 11.053 1.00 74.00 H new ATOM 1331 N ALA A 89 -11.294 6.968 9.623 1.00 53.14 N ATOM 1332 CA ALA A 89 -12.352 7.916 9.946 1.00 50.11 C ATOM 1333 C ALA A 89 -13.132 7.470 11.178 1.00 20.15 C ATOM 1334 O ALA A 89 -14.215 6.897 11.065 1.00 40.03 O ATOM 1335 CB ALA A 89 -13.290 8.085 8.759 1.00 63.22 C ATOM 0 H ALA A 89 -10.356 7.368 9.620 1.00 53.14 H new ATOM 0 HA ALA A 89 -11.888 8.877 10.169 1.00 50.11 H new ATOM 0 HB1 ALA A 89 -14.076 8.796 9.014 1.00 63.22 H new ATOM 0 HB2 ALA A 89 -12.729 8.457 7.902 1.00 63.22 H new ATOM 0 HB3 ALA A 89 -13.738 7.123 8.510 1.00 63.22 H new ATOM 1341 N ASP A 90 -12.573 7.737 12.355 1.00 45.34 N ATOM 1342 CA ASP A 90 -13.217 7.363 13.608 1.00 54.03 C ATOM 1343 C ASP A 90 -12.940 8.401 14.691 1.00 53.04 C ATOM 1344 O ASP A 90 -13.856 9.061 15.181 1.00 23.20 O ATOM 1345 CB ASP A 90 -12.730 5.988 14.066 1.00 54.22 C ATOM 1346 CG ASP A 90 -13.841 4.955 14.082 1.00 21.23 C ATOM 1347 OD1 ASP A 90 -14.391 4.660 13.001 1.00 64.33 O ATOM 1348 OD2 ASP A 90 -14.159 4.443 15.176 1.00 23.25 O ATOM 0 H ASP A 90 -11.676 8.210 12.466 1.00 45.34 H new ATOM 0 HA ASP A 90 -14.293 7.320 13.437 1.00 54.03 H new ATOM 0 HB2 ASP A 90 -11.933 5.649 13.404 1.00 54.22 H new ATOM 0 HB3 ASP A 90 -12.301 6.072 15.065 1.00 54.22 H new ATOM 1353 N ALA A 91 -11.671 8.538 15.061 1.00 2.35 N ATOM 1354 CA ALA A 91 -11.274 9.497 16.085 1.00 74.42 C ATOM 1355 C ALA A 91 -9.758 9.530 16.247 1.00 21.11 C ATOM 1356 O ALA A 91 -9.174 8.663 16.896 1.00 35.20 O ATOM 1357 CB ALA A 91 -11.941 9.159 17.412 1.00 25.53 C ATOM 0 H ALA A 91 -10.901 7.998 14.667 1.00 2.35 H new ATOM 0 HA ALA A 91 -11.602 10.487 15.768 1.00 74.42 H new ATOM 0 HB1 ALA A 91 -11.636 9.883 18.167 1.00 25.53 H new ATOM 0 HB2 ALA A 91 -13.024 9.193 17.294 1.00 25.53 H new ATOM 0 HB3 ALA A 91 -11.641 8.159 17.726 1.00 25.53 H new ATOM 1363 N TYR A 92 -9.126 10.535 15.652 1.00 5.32 N ATOM 1364 CA TYR A 92 -7.678 10.681 15.727 1.00 62.33 C ATOM 1365 C TYR A 92 -6.978 9.404 15.269 1.00 31.14 C ATOM 1366 O TYR A 92 -7.615 8.485 14.752 1.00 75.41 O ATOM 1367 CB TYR A 92 -7.252 11.024 17.155 1.00 61.23 C ATOM 1368 CG TYR A 92 -6.209 12.116 17.230 1.00 15.31 C ATOM 1369 CD1 TYR A 92 -6.418 13.346 16.618 1.00 33.02 C ATOM 1370 CD2 TYR A 92 -5.014 11.918 17.912 1.00 11.43 C ATOM 1371 CE1 TYR A 92 -5.468 14.347 16.683 1.00 53.05 C ATOM 1372 CE2 TYR A 92 -4.060 12.914 17.984 1.00 24.04 C ATOM 1373 CZ TYR A 92 -4.291 14.126 17.367 1.00 1.12 C ATOM 1374 OH TYR A 92 -3.342 15.120 17.435 1.00 70.42 O ATOM 0 H TYR A 92 -9.595 11.262 15.111 1.00 5.32 H new ATOM 0 HA TYR A 92 -7.385 11.494 15.062 1.00 62.33 H new ATOM 0 HB2 TYR A 92 -8.130 11.332 17.723 1.00 61.23 H new ATOM 0 HB3 TYR A 92 -6.861 10.126 17.634 1.00 61.23 H new ATOM 0 HD1 TYR A 92 -7.339 13.522 16.082 1.00 33.02 H new ATOM 0 HD2 TYR A 92 -4.828 10.969 18.394 1.00 11.43 H new ATOM 0 HE1 TYR A 92 -5.646 15.297 16.201 1.00 53.05 H new ATOM 0 HE2 TYR A 92 -3.138 12.745 18.520 1.00 24.04 H new ATOM 0 HH TYR A 92 -2.573 14.804 17.954 1.00 70.42 H new ATOM 1384 N ASP A 93 -5.665 9.355 15.462 1.00 61.22 N ATOM 1385 CA ASP A 93 -4.877 8.192 15.071 1.00 1.31 C ATOM 1386 C ASP A 93 -3.588 8.111 15.883 1.00 64.14 C ATOM 1387 O ASP A 93 -3.207 9.065 16.561 1.00 51.34 O ATOM 1388 CB ASP A 93 -4.551 8.248 13.578 1.00 24.23 C ATOM 1389 CG ASP A 93 -3.503 9.294 13.254 1.00 3.43 C ATOM 1390 OD1 ASP A 93 -3.849 10.495 13.235 1.00 41.33 O ATOM 1391 OD2 ASP A 93 -2.337 8.914 13.018 1.00 62.32 O ATOM 0 H ASP A 93 -5.123 10.108 15.887 1.00 61.22 H new ATOM 0 HA ASP A 93 -5.469 7.299 15.272 1.00 1.31 H new ATOM 0 HB2 ASP A 93 -4.199 7.270 13.249 1.00 24.23 H new ATOM 0 HB3 ASP A 93 -5.461 8.464 13.018 1.00 24.23 H new ATOM 1396 N CYS A 94 -2.921 6.963 15.811 1.00 23.31 N ATOM 1397 CA CYS A 94 -1.676 6.755 16.540 1.00 10.11 C ATOM 1398 C CYS A 94 -0.500 6.608 15.578 1.00 53.32 C ATOM 1399 O CYS A 94 -0.413 5.632 14.833 1.00 33.53 O ATOM 1400 CB CYS A 94 -1.782 5.514 17.427 1.00 62.33 C ATOM 1401 SG CYS A 94 -3.230 5.509 18.531 1.00 12.11 S ATOM 0 H CYS A 94 -3.223 6.163 15.255 1.00 23.31 H new ATOM 0 HA CYS A 94 -1.501 7.629 17.168 1.00 10.11 H new ATOM 0 HB2 CYS A 94 -1.820 4.629 16.792 1.00 62.33 H new ATOM 0 HB3 CYS A 94 -0.878 5.434 18.031 1.00 62.33 H new ATOM 0 HG CYS A 94 -3.233 4.418 19.238 1.00 12.11 H new ATOM 1406 N ASP A 95 0.401 7.585 15.600 1.00 40.45 N ATOM 1407 CA ASP A 95 1.572 7.563 14.731 1.00 1.21 C ATOM 1408 C ASP A 95 2.786 7.007 15.468 1.00 53.33 C ATOM 1409 O ASP A 95 3.921 7.161 15.020 1.00 41.44 O ATOM 1410 CB ASP A 95 1.875 8.971 14.214 1.00 75.34 C ATOM 1411 CG ASP A 95 1.893 10.004 15.324 1.00 74.24 C ATOM 1412 OD1 ASP A 95 2.144 9.620 16.486 1.00 31.13 O ATOM 1413 OD2 ASP A 95 1.656 11.194 15.031 1.00 32.44 O ATOM 0 H ASP A 95 0.343 8.401 16.209 1.00 40.45 H new ATOM 0 HA ASP A 95 1.354 6.912 13.885 1.00 1.21 H new ATOM 0 HB2 ASP A 95 2.840 8.969 13.708 1.00 75.34 H new ATOM 0 HB3 ASP A 95 1.127 9.252 13.473 1.00 75.34 H new ATOM 1418 N ALA A 96 2.536 6.359 16.602 1.00 21.33 N ATOM 1419 CA ALA A 96 3.609 5.779 17.401 1.00 42.35 C ATOM 1420 C ALA A 96 4.092 4.464 16.799 1.00 63.23 C ATOM 1421 O ALA A 96 5.217 4.032 17.048 1.00 14.25 O ATOM 1422 CB ALA A 96 3.143 5.564 18.834 1.00 2.25 C ATOM 0 H ALA A 96 1.601 6.223 16.987 1.00 21.33 H new ATOM 0 HA ALA A 96 4.445 6.478 17.403 1.00 42.35 H new ATOM 0 HB1 ALA A 96 3.954 5.130 19.419 1.00 2.25 H new ATOM 0 HB2 ALA A 96 2.852 6.520 19.269 1.00 2.25 H new ATOM 0 HB3 ALA A 96 2.289 4.887 18.841 1.00 2.25 H new ATOM 1428 N ALA A 97 3.235 3.832 16.004 1.00 55.34 N ATOM 1429 CA ALA A 97 3.575 2.566 15.365 1.00 1.20 C ATOM 1430 C ALA A 97 4.866 2.687 14.562 1.00 31.12 C ATOM 1431 O ALA A 97 5.692 1.774 14.553 1.00 44.35 O ATOM 1432 CB ALA A 97 2.436 2.104 14.469 1.00 65.11 C ATOM 0 H ALA A 97 2.300 4.176 15.787 1.00 55.34 H new ATOM 0 HA ALA A 97 3.731 1.823 16.147 1.00 1.20 H new ATOM 0 HB1 ALA A 97 2.704 1.158 13.999 1.00 65.11 H new ATOM 0 HB2 ALA A 97 1.534 1.970 15.067 1.00 65.11 H new ATOM 0 HB3 ALA A 97 2.252 2.853 13.699 1.00 65.11 H new ATOM 1438 N LYS A 98 5.035 3.820 13.889 1.00 33.41 N ATOM 1439 CA LYS A 98 6.227 4.062 13.083 1.00 52.40 C ATOM 1440 C LYS A 98 7.282 4.818 13.885 1.00 51.14 C ATOM 1441 O LYS A 98 6.966 5.765 14.606 1.00 75.42 O ATOM 1442 CB LYS A 98 5.863 4.853 11.824 1.00 72.53 C ATOM 1443 CG LYS A 98 5.400 6.270 12.109 1.00 54.20 C ATOM 1444 CD LYS A 98 6.536 7.269 11.966 1.00 21.10 C ATOM 1445 CE LYS A 98 6.058 8.694 12.197 1.00 44.02 C ATOM 1446 NZ LYS A 98 5.853 9.425 10.915 1.00 32.33 N ATOM 0 H LYS A 98 4.361 4.586 13.885 1.00 33.41 H new ATOM 0 HA LYS A 98 6.641 3.097 12.792 1.00 52.40 H new ATOM 0 HB2 LYS A 98 6.730 4.889 11.164 1.00 72.53 H new ATOM 0 HB3 LYS A 98 5.076 4.324 11.287 1.00 72.53 H new ATOM 0 HG2 LYS A 98 4.594 6.535 11.425 1.00 54.20 H new ATOM 0 HG3 LYS A 98 4.992 6.324 13.118 1.00 54.20 H new ATOM 0 HD2 LYS A 98 7.325 7.029 12.679 1.00 21.10 H new ATOM 0 HD3 LYS A 98 6.971 7.187 10.970 1.00 21.10 H new ATOM 0 HE2 LYS A 98 5.124 8.677 12.759 1.00 44.02 H new ATOM 0 HE3 LYS A 98 6.787 9.227 12.807 1.00 44.02 H new ATOM 0 HZ1 LYS A 98 5.527 10.392 11.115 1.00 32.33 H new ATOM 0 HZ2 LYS A 98 6.750 9.463 10.390 1.00 32.33 H new ATOM 0 HZ3 LYS A 98 5.138 8.930 10.344 1.00 32.33 H new ATOM 1460 N ARG A 99 8.534 4.394 13.753 1.00 60.31 N ATOM 1461 CA ARG A 99 9.635 5.031 14.465 1.00 22.23 C ATOM 1462 C ARG A 99 9.678 6.528 14.172 1.00 72.40 C ATOM 1463 O ARG A 99 9.312 7.346 15.015 1.00 15.41 O ATOM 1464 CB ARG A 99 10.965 4.385 14.073 1.00 20.34 C ATOM 1465 CG ARG A 99 11.095 2.938 14.518 1.00 4.41 C ATOM 1466 CD ARG A 99 12.440 2.676 15.178 1.00 65.02 C ATOM 1467 NE ARG A 99 12.360 1.619 16.182 1.00 41.12 N ATOM 1468 CZ ARG A 99 12.247 0.329 15.885 1.00 30.30 C ATOM 1469 NH1 ARG A 99 12.203 -0.061 14.619 1.00 43.43 N ATOM 1470 NH2 ARG A 99 12.181 -0.573 16.856 1.00 52.51 N ATOM 0 H ARG A 99 8.811 3.612 13.160 1.00 60.31 H new ATOM 0 HA ARG A 99 9.473 4.892 15.534 1.00 22.23 H new ATOM 0 HB2 ARG A 99 11.078 4.434 12.990 1.00 20.34 H new ATOM 0 HB3 ARG A 99 11.781 4.964 14.505 1.00 20.34 H new ATOM 0 HG2 ARG A 99 10.293 2.698 15.216 1.00 4.41 H new ATOM 0 HG3 ARG A 99 10.977 2.280 13.657 1.00 4.41 H new ATOM 0 HD2 ARG A 99 13.169 2.399 14.417 1.00 65.02 H new ATOM 0 HD3 ARG A 99 12.799 3.593 15.645 1.00 65.02 H new ATOM 0 HE ARG A 99 12.393 1.886 17.166 1.00 41.12 H new ATOM 0 HH11 ARG A 99 12.256 0.630 13.870 1.00 43.43 H new ATOM 0 HH12 ARG A 99 12.116 -1.052 14.393 1.00 43.43 H new ATOM 0 HH21 ARG A 99 12.217 -0.276 17.831 1.00 52.51 H new ATOM 0 HH22 ARG A 99 12.094 -1.563 16.627 1.00 52.51 H new ATOM 1484 N GLY A 100 10.128 6.878 12.972 1.00 43.20 N ATOM 1485 CA GLY A 100 10.211 8.276 12.589 1.00 52.21 C ATOM 1486 C GLY A 100 10.773 8.463 11.194 1.00 42.43 C ATOM 1487 O GLY A 100 11.585 9.364 10.990 1.00 13.33 O ATOM 0 H GLY A 100 10.437 6.219 12.257 1.00 43.20 H new ATOM 0 HA2 GLY A 100 9.218 8.723 12.640 1.00 52.21 H new ATOM 0 HA3 GLY A 100 10.838 8.809 13.304 1.00 52.21 H new TER 1491 GLY A 100 HETATM 1492 ZN ZN A 201 -11.225 -4.346 -9.974 1.00 55.52 ZN