USER MOD reduce.3.24.130724 H: found=0, std=0, add=838, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 833 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 28 LYS NZ :NH3+ -172:sc= 0.408 (180deg=0) USER MOD Set 1.2: A 61 SER OG : rot 112:sc= 0.395 USER MOD Set 2.1: A 22 SER OG : rot -111:sc= 0.122 USER MOD Set 2.2: A 24 HIS : no HD1:sc= 0 X(o=0.12,f=0.12) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 159:sc= -0.129 (180deg=-0.712) USER MOD Single : A 2 GLN : amide:sc= -0.259 X(o=-0.26,f=0) USER MOD Single : A 4 GLN : amide:sc= 0 X(o=0,f=-0.42) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 ASN : amide:sc= -0.716 X(o=-0.72,f=-0.57) USER MOD Single : A 13 TYR OH : rot 180:sc= -0.303 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 180:sc= -0.0254 USER MOD Single : A 19 THR OG1 : rot 39:sc= 0.441 USER MOD Single : A 20 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 21 GLN : amide:sc= -0.049 X(o=-0.049,f=-0.049) USER MOD Single : A 25 SER OG : rot -57:sc= 0.339 USER MOD Single : A 26 LYS NZ :NH3+ 171:sc= 0 (180deg=-0.0431) USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 SER OG : rot 180:sc= 0.0488 USER MOD Single : A 38 CYS SG : rot 180:sc= 0 USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 40 GLN : amide:sc= -0.722 X(o=-0.72,f=-0.97) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl 158:sc= 0 (180deg=-0.2) USER MOD Single : A 47 ASN : amide:sc=-0.00844 X(o=-0.0084,f=0) USER MOD Single : A 49 THR OG1 : rot 180:sc= -0.0983 USER MOD Single : A 51 SER OG : rot 24:sc= 0.138 USER MOD Single : A 52 HIS : no HD1:sc= -0.0454 X(o=-0.045,f=-0.22) USER MOD Single : A 54 THR OG1 : rot 180:sc= -0.128 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 56 GLN : amide:sc= -0.214 K(o=-0.21,f=-3.3!) USER MOD Single : A 57 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 59 CYS SG : rot -2:sc= 0.301 USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 71 TYR OH : rot 180:sc= 0 USER MOD Single : A 75 HIS : no HD1:sc= -0.128 X(o=-0.13,f=-0.49) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 TYR OH : rot 180:sc= 0 USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 83 GLN : amide:sc= -0.0881 K(o=-0.088,f=-3.1!) USER MOD Single : A 85 ASN : amide:sc= -0.0201 K(o=-0.02,f=-0.58) USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.0042) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 ASN : amide:sc= -0.111 K(o=-0.11,f=-2!) USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0308 USER MOD Single : A 100 LYS NZ :NH3+ -145:sc= -0.282 (180deg=-1.26) USER MOD Single : A 104 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 1.329 0.000 0.000 1.00 0.00 N ATOM 2 CA MET A 1 2.093 -0.001 -1.242 1.00 52.33 C ATOM 3 C MET A 1 1.286 -0.625 -2.376 1.00 60.42 C ATOM 4 O MET A 1 1.838 -1.307 -3.239 1.00 41.15 O ATOM 5 CB MET A 1 3.408 -0.761 -1.057 1.00 55.22 C ATOM 6 CG MET A 1 3.217 -2.225 -0.696 1.00 63.13 C ATOM 7 SD MET A 1 4.727 -2.989 -0.074 1.00 4.11 S ATOM 8 CE MET A 1 4.438 -4.705 -0.498 1.00 4.12 C ATOM 0 H1 MET A 1 1.979 0.085 0.807 1.00 0.00 H new ATOM 0 H2 MET A 1 0.669 0.804 0.001 1.00 0.00 H new ATOM 0 H3 MET A 1 0.793 -0.888 0.079 1.00 0.00 H new ATOM 0 HA MET A 1 2.314 1.034 -1.504 1.00 52.33 H new ATOM 0 HB2 MET A 1 3.989 -0.695 -1.977 1.00 55.22 H new ATOM 0 HB3 MET A 1 3.992 -0.275 -0.275 1.00 55.22 H new ATOM 0 HG2 MET A 1 2.434 -2.310 0.058 1.00 63.13 H new ATOM 0 HG3 MET A 1 2.874 -2.770 -1.575 1.00 63.13 H new ATOM 0 HE1 MET A 1 5.288 -5.307 -0.176 1.00 4.12 H new ATOM 0 HE2 MET A 1 3.535 -5.056 0.001 1.00 4.12 H new ATOM 0 HE3 MET A 1 4.316 -4.798 -1.577 1.00 4.12 H new ATOM 18 N GLN A 2 -0.022 -0.389 -2.366 1.00 42.53 N ATOM 19 CA GLN A 2 -0.903 -0.930 -3.394 1.00 53.40 C ATOM 20 C GLN A 2 -1.280 0.145 -4.409 1.00 35.24 C ATOM 21 O GLN A 2 -0.801 1.275 -4.336 1.00 5.52 O ATOM 22 CB GLN A 2 -2.166 -1.512 -2.757 1.00 72.43 C ATOM 23 CG GLN A 2 -2.959 -0.502 -1.943 1.00 62.43 C ATOM 24 CD GLN A 2 -4.248 -1.080 -1.392 1.00 44.30 C ATOM 25 OE1 GLN A 2 -5.312 -0.471 -1.505 1.00 31.23 O ATOM 26 NE2 GLN A 2 -4.158 -2.261 -0.791 1.00 53.35 N ATOM 0 H GLN A 2 -0.495 0.173 -1.658 1.00 42.53 H new ATOM 0 HA GLN A 2 -0.368 -1.724 -3.915 1.00 53.40 H new ATOM 0 HB2 GLN A 2 -2.806 -1.916 -3.542 1.00 72.43 H new ATOM 0 HB3 GLN A 2 -1.887 -2.346 -2.113 1.00 72.43 H new ATOM 0 HG2 GLN A 2 -2.344 -0.143 -1.118 1.00 62.43 H new ATOM 0 HG3 GLN A 2 -3.190 0.361 -2.567 1.00 62.43 H new ATOM 0 HE21 GLN A 2 -3.255 -2.730 -0.720 1.00 53.35 H new ATOM 0 HE22 GLN A 2 -4.992 -2.699 -0.400 1.00 53.35 H new ATOM 35 N GLU A 3 -2.142 -0.217 -5.354 1.00 34.02 N ATOM 36 CA GLU A 3 -2.582 0.717 -6.384 1.00 33.14 C ATOM 37 C GLU A 3 -4.104 0.722 -6.499 1.00 41.13 C ATOM 38 O GLU A 3 -4.738 -0.332 -6.513 1.00 75.21 O ATOM 39 CB GLU A 3 -1.959 0.354 -7.733 1.00 25.22 C ATOM 40 CG GLU A 3 -1.771 1.545 -8.657 1.00 4.22 C ATOM 41 CD GLU A 3 -0.666 2.474 -8.193 1.00 45.43 C ATOM 42 OE1 GLU A 3 0.518 2.099 -8.324 1.00 64.24 O ATOM 43 OE2 GLU A 3 -0.984 3.576 -7.700 1.00 11.14 O ATOM 0 H GLU A 3 -2.549 -1.149 -5.428 1.00 34.02 H new ATOM 0 HA GLU A 3 -2.253 1.716 -6.097 1.00 33.14 H new ATOM 0 HB2 GLU A 3 -0.992 -0.118 -7.562 1.00 25.22 H new ATOM 0 HB3 GLU A 3 -2.590 -0.383 -8.229 1.00 25.22 H new ATOM 0 HG2 GLU A 3 -1.543 1.188 -9.661 1.00 4.22 H new ATOM 0 HG3 GLU A 3 -2.706 2.102 -8.721 1.00 4.22 H new ATOM 50 N GLN A 4 -4.681 1.916 -6.581 1.00 51.54 N ATOM 51 CA GLN A 4 -6.128 2.059 -6.694 1.00 42.05 C ATOM 52 C GLN A 4 -6.572 1.966 -8.151 1.00 1.24 C ATOM 53 O GLN A 4 -5.992 2.605 -9.029 1.00 70.52 O ATOM 54 CB GLN A 4 -6.578 3.392 -6.096 1.00 14.55 C ATOM 55 CG GLN A 4 -8.057 3.433 -5.745 1.00 10.22 C ATOM 56 CD GLN A 4 -8.477 4.758 -5.138 1.00 24.40 C ATOM 57 OE1 GLN A 4 -7.730 5.366 -4.371 1.00 13.24 O ATOM 58 NE2 GLN A 4 -9.677 5.212 -5.480 1.00 22.25 N ATOM 0 H GLN A 4 -4.169 2.798 -6.571 1.00 51.54 H new ATOM 0 HA GLN A 4 -6.593 1.244 -6.139 1.00 42.05 H new ATOM 0 HB2 GLN A 4 -5.994 3.593 -5.198 1.00 14.55 H new ATOM 0 HB3 GLN A 4 -6.359 4.191 -6.804 1.00 14.55 H new ATOM 0 HG2 GLN A 4 -8.645 3.247 -6.644 1.00 10.22 H new ATOM 0 HG3 GLN A 4 -8.283 2.629 -5.044 1.00 10.22 H new ATOM 0 HE21 GLN A 4 -10.263 4.674 -6.119 1.00 22.25 H new ATOM 0 HE22 GLN A 4 -10.013 6.098 -5.104 1.00 22.25 H new ATOM 67 N VAL A 5 -7.604 1.167 -8.400 1.00 31.54 N ATOM 68 CA VAL A 5 -8.127 0.990 -9.749 1.00 43.53 C ATOM 69 C VAL A 5 -9.628 1.250 -9.795 1.00 73.43 C ATOM 70 O VAL A 5 -10.367 0.841 -8.899 1.00 42.51 O ATOM 71 CB VAL A 5 -7.845 -0.428 -10.280 1.00 10.14 C ATOM 72 CG1 VAL A 5 -8.357 -0.577 -11.704 1.00 42.12 C ATOM 73 CG2 VAL A 5 -6.358 -0.739 -10.203 1.00 60.22 C ATOM 0 H VAL A 5 -8.095 0.631 -7.684 1.00 31.54 H new ATOM 0 HA VAL A 5 -7.616 1.714 -10.383 1.00 43.53 H new ATOM 0 HB VAL A 5 -8.376 -1.144 -9.653 1.00 10.14 H new ATOM 0 HG11 VAL A 5 -8.149 -1.585 -12.062 1.00 42.12 H new ATOM 0 HG12 VAL A 5 -9.432 -0.400 -11.724 1.00 42.12 H new ATOM 0 HG13 VAL A 5 -7.858 0.147 -12.348 1.00 42.12 H new ATOM 0 HG21 VAL A 5 -6.177 -1.745 -10.582 1.00 60.22 H new ATOM 0 HG22 VAL A 5 -5.804 -0.019 -10.805 1.00 60.22 H new ATOM 0 HG23 VAL A 5 -6.026 -0.677 -9.167 1.00 60.22 H new ATOM 83 N SER A 6 -10.074 1.930 -10.846 1.00 42.54 N ATOM 84 CA SER A 6 -11.488 2.247 -11.008 1.00 40.43 C ATOM 85 C SER A 6 -12.131 1.342 -12.054 1.00 73.13 C ATOM 86 O SER A 6 -12.470 1.785 -13.151 1.00 10.13 O ATOM 87 CB SER A 6 -11.661 3.713 -11.411 1.00 10.34 C ATOM 88 OG SER A 6 -12.933 4.202 -11.022 1.00 72.12 O ATOM 0 H SER A 6 -9.476 2.272 -11.598 1.00 42.54 H new ATOM 0 HA SER A 6 -11.984 2.079 -10.052 1.00 40.43 H new ATOM 0 HB2 SER A 6 -10.879 4.315 -10.948 1.00 10.34 H new ATOM 0 HB3 SER A 6 -11.544 3.813 -12.490 1.00 10.34 H new ATOM 0 HG SER A 6 -13.018 5.141 -11.289 1.00 72.12 H new ATOM 94 N ASN A 7 -12.296 0.070 -11.706 1.00 31.13 N ATOM 95 CA ASN A 7 -12.898 -0.900 -12.614 1.00 11.42 C ATOM 96 C ASN A 7 -13.638 -1.985 -11.838 1.00 22.20 C ATOM 97 O ASN A 7 -13.353 -2.229 -10.665 1.00 62.24 O ATOM 98 CB ASN A 7 -11.825 -1.533 -13.501 1.00 42.15 C ATOM 99 CG ASN A 7 -12.414 -2.233 -14.711 1.00 30.13 C ATOM 100 OD1 ASN A 7 -12.934 -3.344 -14.606 1.00 60.24 O ATOM 101 ND2 ASN A 7 -12.335 -1.584 -15.867 1.00 22.52 N ATOM 0 H ASN A 7 -12.021 -0.313 -10.802 1.00 31.13 H new ATOM 0 HA ASN A 7 -13.616 -0.375 -13.243 1.00 11.42 H new ATOM 0 HB2 ASN A 7 -11.131 -0.761 -13.833 1.00 42.15 H new ATOM 0 HB3 ASN A 7 -11.249 -2.249 -12.915 1.00 42.15 H new ATOM 0 HD21 ASN A 7 -12.714 -2.005 -16.715 1.00 22.52 H new ATOM 0 HD22 ASN A 7 -11.895 -0.665 -15.907 1.00 22.52 H new ATOM 108 N VAL A 8 -14.589 -2.635 -12.501 1.00 53.21 N ATOM 109 CA VAL A 8 -15.369 -3.696 -11.875 1.00 52.21 C ATOM 110 C VAL A 8 -14.764 -5.065 -12.162 1.00 25.25 C ATOM 111 O VAL A 8 -13.884 -5.201 -13.012 1.00 41.41 O ATOM 112 CB VAL A 8 -16.830 -3.681 -12.363 1.00 12.33 C ATOM 113 CG1 VAL A 8 -17.518 -2.388 -11.950 1.00 63.11 C ATOM 114 CG2 VAL A 8 -16.890 -3.868 -13.871 1.00 70.01 C ATOM 0 H VAL A 8 -14.838 -2.445 -13.472 1.00 53.21 H new ATOM 0 HA VAL A 8 -15.350 -3.511 -10.801 1.00 52.21 H new ATOM 0 HB VAL A 8 -17.359 -4.511 -11.896 1.00 12.33 H new ATOM 0 HG11 VAL A 8 -18.549 -2.396 -12.303 1.00 63.11 H new ATOM 0 HG12 VAL A 8 -17.507 -2.301 -10.864 1.00 63.11 H new ATOM 0 HG13 VAL A 8 -16.991 -1.540 -12.387 1.00 63.11 H new ATOM 0 HG21 VAL A 8 -17.930 -3.855 -14.198 1.00 70.01 H new ATOM 0 HG22 VAL A 8 -16.345 -3.060 -14.360 1.00 70.01 H new ATOM 0 HG23 VAL A 8 -16.438 -4.823 -14.137 1.00 70.01 H new ATOM 124 N ARG A 9 -15.241 -6.078 -11.446 1.00 64.50 N ATOM 125 CA ARG A 9 -14.746 -7.438 -11.623 1.00 24.33 C ATOM 126 C ARG A 9 -15.897 -8.440 -11.622 1.00 65.24 C ATOM 127 O ARG A 9 -16.925 -8.219 -10.984 1.00 50.20 O ATOM 128 CB ARG A 9 -13.750 -7.789 -10.516 1.00 23.13 C ATOM 129 CG ARG A 9 -12.577 -6.827 -10.424 1.00 44.14 C ATOM 130 CD ARG A 9 -11.779 -7.040 -9.147 1.00 72.33 C ATOM 131 NE ARG A 9 -10.870 -5.929 -8.878 1.00 32.54 N ATOM 132 CZ ARG A 9 -10.199 -5.789 -7.740 1.00 14.52 C ATOM 133 NH1 ARG A 9 -10.335 -6.684 -6.771 1.00 44.13 N ATOM 134 NH2 ARG A 9 -9.391 -4.750 -7.569 1.00 62.32 N ATOM 0 H ARG A 9 -15.969 -5.983 -10.738 1.00 64.50 H new ATOM 0 HA ARG A 9 -14.241 -7.491 -12.588 1.00 24.33 H new ATOM 0 HB2 ARG A 9 -14.273 -7.803 -9.560 1.00 23.13 H new ATOM 0 HB3 ARG A 9 -13.370 -8.796 -10.687 1.00 23.13 H new ATOM 0 HG2 ARG A 9 -11.926 -6.962 -11.288 1.00 44.14 H new ATOM 0 HG3 ARG A 9 -12.943 -5.801 -10.458 1.00 44.14 H new ATOM 0 HD2 ARG A 9 -12.464 -7.160 -8.307 1.00 72.33 H new ATOM 0 HD3 ARG A 9 -11.208 -7.965 -9.227 1.00 72.33 H new ATOM 0 HE ARG A 9 -10.744 -5.223 -9.603 1.00 32.54 H new ATOM 0 HH11 ARG A 9 -10.956 -7.483 -6.898 1.00 44.13 H new ATOM 0 HH12 ARG A 9 -9.818 -6.574 -5.899 1.00 44.13 H new ATOM 0 HH21 ARG A 9 -9.285 -4.059 -8.311 1.00 62.32 H new ATOM 0 HH22 ARG A 9 -8.876 -4.643 -6.695 1.00 62.32 H new ATOM 148 N ALA A 10 -15.715 -9.542 -12.343 1.00 32.11 N ATOM 149 CA ALA A 10 -16.737 -10.578 -12.425 1.00 32.24 C ATOM 150 C ALA A 10 -16.370 -11.781 -11.562 1.00 64.04 C ATOM 151 O ALA A 10 -15.227 -12.240 -11.575 1.00 52.21 O ATOM 152 CB ALA A 10 -16.941 -11.005 -13.871 1.00 32.54 C ATOM 0 H ALA A 10 -14.870 -9.740 -12.878 1.00 32.11 H new ATOM 0 HA ALA A 10 -17.671 -10.163 -12.045 1.00 32.24 H new ATOM 0 HB1 ALA A 10 -17.707 -11.779 -13.917 1.00 32.54 H new ATOM 0 HB2 ALA A 10 -17.257 -10.146 -14.463 1.00 32.54 H new ATOM 0 HB3 ALA A 10 -16.005 -11.396 -14.270 1.00 32.54 H new ATOM 158 N ARG A 11 -17.344 -12.287 -10.814 1.00 14.31 N ATOM 159 CA ARG A 11 -17.122 -13.435 -9.944 1.00 32.31 C ATOM 160 C ARG A 11 -17.886 -14.656 -10.449 1.00 51.20 C ATOM 161 O ARG A 11 -19.105 -14.742 -10.300 1.00 75.15 O ATOM 162 CB ARG A 11 -17.551 -13.108 -8.512 1.00 72.34 C ATOM 163 CG ARG A 11 -17.072 -14.122 -7.486 1.00 72.24 C ATOM 164 CD ARG A 11 -17.652 -13.838 -6.109 1.00 44.35 C ATOM 165 NE ARG A 11 -17.824 -15.058 -5.325 1.00 40.34 N ATOM 166 CZ ARG A 11 -18.737 -15.983 -5.598 1.00 22.43 C ATOM 167 NH1 ARG A 11 -19.555 -15.829 -6.629 1.00 72.03 N ATOM 168 NH2 ARG A 11 -18.832 -17.067 -4.837 1.00 51.24 N ATOM 0 H ARG A 11 -18.295 -11.920 -10.793 1.00 14.31 H new ATOM 0 HA ARG A 11 -16.057 -13.665 -9.953 1.00 32.31 H new ATOM 0 HB2 ARG A 11 -17.169 -12.123 -8.243 1.00 72.34 H new ATOM 0 HB3 ARG A 11 -18.639 -13.049 -8.472 1.00 72.34 H new ATOM 0 HG2 ARG A 11 -17.358 -15.125 -7.803 1.00 72.24 H new ATOM 0 HG3 ARG A 11 -15.983 -14.103 -7.435 1.00 72.24 H new ATOM 0 HD2 ARG A 11 -16.995 -13.153 -5.573 1.00 44.35 H new ATOM 0 HD3 ARG A 11 -18.614 -13.338 -6.217 1.00 44.35 H new ATOM 0 HE ARG A 11 -17.210 -15.208 -4.525 1.00 40.34 H new ATOM 0 HH11 ARG A 11 -19.485 -14.998 -7.216 1.00 72.03 H new ATOM 0 HH12 ARG A 11 -20.255 -16.542 -6.836 1.00 72.03 H new ATOM 0 HH21 ARG A 11 -18.204 -17.189 -4.043 1.00 51.24 H new ATOM 0 HH22 ARG A 11 -19.533 -17.777 -5.047 1.00 51.24 H new ATOM 182 N ILE A 12 -17.161 -15.596 -11.046 1.00 51.42 N ATOM 183 CA ILE A 12 -17.771 -16.811 -11.572 1.00 45.34 C ATOM 184 C ILE A 12 -17.474 -18.008 -10.675 1.00 44.54 C ATOM 185 O ILE A 12 -16.340 -18.201 -10.236 1.00 63.21 O ATOM 186 CB ILE A 12 -17.276 -17.117 -12.998 1.00 44.23 C ATOM 187 CG1 ILE A 12 -17.599 -15.951 -13.935 1.00 75.32 C ATOM 188 CG2 ILE A 12 -17.901 -18.405 -13.511 1.00 33.30 C ATOM 189 CD1 ILE A 12 -16.901 -16.040 -15.274 1.00 74.42 C ATOM 0 H ILE A 12 -16.151 -15.540 -11.177 1.00 51.42 H new ATOM 0 HA ILE A 12 -18.847 -16.638 -11.599 1.00 45.34 H new ATOM 0 HB ILE A 12 -16.194 -17.247 -12.971 1.00 44.23 H new ATOM 0 HG12 ILE A 12 -18.676 -15.914 -14.098 1.00 75.32 H new ATOM 0 HG13 ILE A 12 -17.318 -15.017 -13.449 1.00 75.32 H new ATOM 0 HG21 ILE A 12 -17.541 -18.607 -14.520 1.00 33.30 H new ATOM 0 HG22 ILE A 12 -17.624 -19.230 -12.855 1.00 33.30 H new ATOM 0 HG23 ILE A 12 -18.986 -18.302 -13.527 1.00 33.30 H new ATOM 0 HD11 ILE A 12 -17.177 -15.181 -15.886 1.00 74.42 H new ATOM 0 HD12 ILE A 12 -15.822 -16.046 -15.122 1.00 74.42 H new ATOM 0 HD13 ILE A 12 -17.201 -16.957 -15.781 1.00 74.42 H new ATOM 201 N TYR A 13 -18.499 -18.809 -10.409 1.00 0.43 N ATOM 202 CA TYR A 13 -18.348 -19.987 -9.563 1.00 75.15 C ATOM 203 C TYR A 13 -18.956 -21.217 -10.230 1.00 75.24 C ATOM 204 O TYR A 13 -20.068 -21.167 -10.758 1.00 63.12 O ATOM 205 CB TYR A 13 -19.008 -19.753 -8.203 1.00 43.43 C ATOM 206 CG TYR A 13 -19.072 -20.992 -7.340 1.00 33.11 C ATOM 207 CD1 TYR A 13 -17.914 -21.653 -6.951 1.00 2.04 C ATOM 208 CD2 TYR A 13 -20.292 -21.502 -6.912 1.00 53.14 C ATOM 209 CE1 TYR A 13 -17.968 -22.786 -6.163 1.00 34.24 C ATOM 210 CE2 TYR A 13 -20.356 -22.634 -6.123 1.00 13.31 C ATOM 211 CZ TYR A 13 -19.192 -23.273 -5.751 1.00 42.51 C ATOM 212 OH TYR A 13 -19.250 -24.400 -4.965 1.00 33.32 O ATOM 0 H TYR A 13 -19.443 -18.664 -10.767 1.00 0.43 H new ATOM 0 HA TYR A 13 -17.282 -20.163 -9.417 1.00 75.15 H new ATOM 0 HB2 TYR A 13 -18.458 -18.977 -7.670 1.00 43.43 H new ATOM 0 HB3 TYR A 13 -20.019 -19.377 -8.359 1.00 43.43 H new ATOM 0 HD1 TYR A 13 -16.954 -21.274 -7.270 1.00 2.04 H new ATOM 0 HD2 TYR A 13 -21.206 -21.005 -7.201 1.00 53.14 H new ATOM 0 HE1 TYR A 13 -17.058 -23.288 -5.871 1.00 34.24 H new ATOM 0 HE2 TYR A 13 -21.313 -23.017 -5.799 1.00 13.31 H new ATOM 0 HH TYR A 13 -20.186 -24.609 -4.762 1.00 33.32 H new ATOM 222 N LYS A 14 -18.219 -22.322 -10.202 1.00 75.42 N ATOM 223 CA LYS A 14 -18.684 -23.568 -10.801 1.00 41.13 C ATOM 224 C LYS A 14 -19.431 -24.418 -9.779 1.00 22.23 C ATOM 225 O LYS A 14 -19.193 -24.334 -8.574 1.00 33.14 O ATOM 226 CB LYS A 14 -17.502 -24.356 -11.370 1.00 21.20 C ATOM 227 CG LYS A 14 -16.646 -25.021 -10.306 1.00 1.02 C ATOM 228 CD LYS A 14 -15.341 -25.541 -10.885 1.00 3.03 C ATOM 229 CE LYS A 14 -14.834 -26.752 -10.116 1.00 45.24 C ATOM 230 NZ LYS A 14 -13.617 -27.338 -10.745 1.00 12.22 N ATOM 0 H LYS A 14 -17.297 -22.380 -9.771 1.00 75.42 H new ATOM 0 HA LYS A 14 -19.370 -23.319 -11.610 1.00 41.13 H new ATOM 0 HB2 LYS A 14 -17.879 -25.119 -12.051 1.00 21.20 H new ATOM 0 HB3 LYS A 14 -16.878 -23.684 -11.959 1.00 21.20 H new ATOM 0 HG2 LYS A 14 -16.433 -24.307 -9.510 1.00 1.02 H new ATOM 0 HG3 LYS A 14 -17.199 -25.845 -9.855 1.00 1.02 H new ATOM 0 HD2 LYS A 14 -15.487 -25.808 -11.932 1.00 3.03 H new ATOM 0 HD3 LYS A 14 -14.590 -24.752 -10.859 1.00 3.03 H new ATOM 0 HE2 LYS A 14 -14.609 -26.462 -9.090 1.00 45.24 H new ATOM 0 HE3 LYS A 14 -15.618 -27.507 -10.069 1.00 45.24 H new ATOM 0 HZ1 LYS A 14 -13.302 -28.161 -10.192 1.00 12.22 H new ATOM 0 HZ2 LYS A 14 -13.838 -27.638 -11.716 1.00 12.22 H new ATOM 0 HZ3 LYS A 14 -12.860 -26.625 -10.767 1.00 12.22 H new ATOM 244 N PRO A 15 -20.355 -25.258 -10.268 1.00 63.42 N ATOM 245 CA PRO A 15 -21.153 -26.142 -9.413 1.00 54.24 C ATOM 246 C PRO A 15 -20.320 -27.261 -8.797 1.00 55.33 C ATOM 247 O PRO A 15 -19.098 -27.283 -8.933 1.00 24.54 O ATOM 248 CB PRO A 15 -22.196 -26.718 -10.375 1.00 23.41 C ATOM 249 CG PRO A 15 -21.556 -26.640 -11.718 1.00 71.51 C ATOM 250 CD PRO A 15 -20.690 -25.411 -11.694 1.00 33.22 C ATOM 0 HA PRO A 15 -21.583 -25.609 -8.565 1.00 54.24 H new ATOM 0 HB2 PRO A 15 -22.449 -27.746 -10.116 1.00 23.41 H new ATOM 0 HB3 PRO A 15 -23.123 -26.145 -10.344 1.00 23.41 H new ATOM 0 HG2 PRO A 15 -20.962 -27.532 -11.920 1.00 71.51 H new ATOM 0 HG3 PRO A 15 -22.307 -26.573 -12.505 1.00 71.51 H new ATOM 0 HD2 PRO A 15 -19.797 -25.537 -12.305 1.00 33.22 H new ATOM 0 HD3 PRO A 15 -21.219 -24.539 -12.078 1.00 33.22 H new ATOM 258 N ALA A 16 -20.991 -28.188 -8.121 1.00 0.52 N ATOM 259 CA ALA A 16 -20.312 -29.311 -7.486 1.00 54.42 C ATOM 260 C ALA A 16 -20.450 -30.579 -8.322 1.00 15.32 C ATOM 261 O ALA A 16 -21.491 -30.822 -8.933 1.00 51.22 O ATOM 262 CB ALA A 16 -20.862 -29.537 -6.086 1.00 15.33 C ATOM 0 H ALA A 16 -22.004 -28.183 -7.999 1.00 0.52 H new ATOM 0 HA ALA A 16 -19.252 -29.069 -7.413 1.00 54.42 H new ATOM 0 HB1 ALA A 16 -20.346 -30.378 -5.624 1.00 15.33 H new ATOM 0 HB2 ALA A 16 -20.706 -28.641 -5.485 1.00 15.33 H new ATOM 0 HB3 ALA A 16 -21.929 -29.754 -6.145 1.00 15.33 H new ATOM 268 N LYS A 17 -19.394 -31.384 -8.345 1.00 32.42 N ATOM 269 CA LYS A 17 -19.397 -32.629 -9.105 1.00 42.41 C ATOM 270 C LYS A 17 -20.421 -33.608 -8.542 1.00 32.33 C ATOM 271 O LYS A 17 -20.297 -34.066 -7.406 1.00 13.34 O ATOM 272 CB LYS A 17 -18.005 -33.264 -9.088 1.00 4.14 C ATOM 273 CG LYS A 17 -17.798 -34.306 -10.173 1.00 31.43 C ATOM 274 CD LYS A 17 -16.638 -35.231 -9.844 1.00 33.41 C ATOM 275 CE LYS A 17 -16.470 -36.312 -10.901 1.00 34.22 C ATOM 276 NZ LYS A 17 -15.871 -37.553 -10.335 1.00 41.43 N ATOM 0 H LYS A 17 -18.524 -31.197 -7.846 1.00 32.42 H new ATOM 0 HA LYS A 17 -19.671 -32.397 -10.134 1.00 42.41 H new ATOM 0 HB2 LYS A 17 -17.256 -32.480 -9.201 1.00 4.14 H new ATOM 0 HB3 LYS A 17 -17.838 -33.727 -8.115 1.00 4.14 H new ATOM 0 HG2 LYS A 17 -18.709 -34.892 -10.294 1.00 31.43 H new ATOM 0 HG3 LYS A 17 -17.610 -33.809 -11.125 1.00 31.43 H new ATOM 0 HD2 LYS A 17 -15.719 -34.650 -9.767 1.00 33.41 H new ATOM 0 HD3 LYS A 17 -16.805 -35.694 -8.872 1.00 33.41 H new ATOM 0 HE2 LYS A 17 -17.440 -36.545 -11.340 1.00 34.22 H new ATOM 0 HE3 LYS A 17 -15.837 -35.938 -11.706 1.00 34.22 H new ATOM 0 HZ1 LYS A 17 -15.773 -38.265 -11.087 1.00 41.43 H new ATOM 0 HZ2 LYS A 17 -14.934 -37.337 -9.939 1.00 41.43 H new ATOM 0 HZ3 LYS A 17 -16.487 -37.925 -9.584 1.00 41.43 H new ATOM 290 N SER A 18 -21.432 -33.927 -9.344 1.00 62.30 N ATOM 291 CA SER A 18 -22.479 -34.851 -8.924 1.00 61.31 C ATOM 292 C SER A 18 -23.091 -35.561 -10.128 1.00 34.34 C ATOM 293 O SER A 18 -23.053 -35.054 -11.249 1.00 74.01 O ATOM 294 CB SER A 18 -23.567 -34.105 -8.150 1.00 41.40 C ATOM 295 OG SER A 18 -24.686 -34.940 -7.909 1.00 51.14 O ATOM 0 H SER A 18 -21.548 -33.559 -10.288 1.00 62.30 H new ATOM 0 HA SER A 18 -22.029 -35.600 -8.272 1.00 61.31 H new ATOM 0 HB2 SER A 18 -23.164 -33.749 -7.202 1.00 41.40 H new ATOM 0 HB3 SER A 18 -23.880 -33.226 -8.713 1.00 41.40 H new ATOM 0 HG SER A 18 -25.366 -34.440 -7.411 1.00 51.14 H new ATOM 301 N THR A 19 -23.657 -36.740 -9.887 1.00 22.34 N ATOM 302 CA THR A 19 -24.277 -37.522 -10.949 1.00 23.00 C ATOM 303 C THR A 19 -25.416 -36.751 -11.606 1.00 1.02 C ATOM 304 O THR A 19 -26.427 -36.458 -10.969 1.00 55.12 O ATOM 305 CB THR A 19 -24.819 -38.862 -10.417 1.00 63.22 C ATOM 306 OG1 THR A 19 -25.701 -38.631 -9.313 1.00 5.40 O ATOM 307 CG2 THR A 19 -23.680 -39.772 -9.981 1.00 41.41 C ATOM 0 H THR A 19 -23.699 -37.174 -8.965 1.00 22.34 H new ATOM 0 HA THR A 19 -23.502 -37.720 -11.689 1.00 23.00 H new ATOM 0 HB THR A 19 -25.367 -39.352 -11.222 1.00 63.22 H new ATOM 0 HG1 THR A 19 -26.240 -37.831 -9.487 1.00 5.40 H new ATOM 0 HG21 THR A 19 -24.087 -40.712 -9.609 1.00 41.41 H new ATOM 0 HG22 THR A 19 -23.027 -39.970 -10.831 1.00 41.41 H new ATOM 0 HG23 THR A 19 -23.108 -39.286 -9.190 1.00 41.41 H new ATOM 315 N MET A 20 -25.245 -36.426 -12.883 1.00 40.20 N ATOM 316 CA MET A 20 -26.261 -35.690 -13.626 1.00 51.15 C ATOM 317 C MET A 20 -27.535 -36.516 -13.769 1.00 73.22 C ATOM 318 O MET A 20 -27.589 -37.669 -13.341 1.00 2.42 O ATOM 319 CB MET A 20 -25.732 -35.304 -15.009 1.00 53.41 C ATOM 320 CG MET A 20 -25.545 -36.490 -15.941 1.00 55.44 C ATOM 321 SD MET A 20 -24.365 -36.155 -17.263 1.00 31.22 S ATOM 322 CE MET A 20 -24.489 -37.665 -18.218 1.00 34.20 C ATOM 0 H MET A 20 -24.413 -36.660 -13.425 1.00 40.20 H new ATOM 0 HA MET A 20 -26.497 -34.783 -13.069 1.00 51.15 H new ATOM 0 HB2 MET A 20 -26.422 -34.597 -15.469 1.00 53.41 H new ATOM 0 HB3 MET A 20 -24.778 -34.789 -14.893 1.00 53.41 H new ATOM 0 HG2 MET A 20 -25.204 -37.350 -15.364 1.00 55.44 H new ATOM 0 HG3 MET A 20 -26.507 -36.759 -16.377 1.00 55.44 H new ATOM 0 HE1 MET A 20 -23.816 -37.611 -19.074 1.00 34.20 H new ATOM 0 HE2 MET A 20 -24.214 -38.514 -17.593 1.00 34.20 H new ATOM 0 HE3 MET A 20 -25.513 -37.790 -18.569 1.00 34.20 H new ATOM 332 N GLN A 21 -28.558 -35.919 -14.373 1.00 21.30 N ATOM 333 CA GLN A 21 -29.832 -36.601 -14.570 1.00 64.13 C ATOM 334 C GLN A 21 -30.353 -37.172 -13.256 1.00 22.23 C ATOM 335 O GLN A 21 -31.020 -38.207 -13.238 1.00 44.31 O ATOM 336 CB GLN A 21 -29.680 -37.720 -15.602 1.00 35.30 C ATOM 337 CG GLN A 21 -29.389 -37.218 -17.007 1.00 12.32 C ATOM 338 CD GLN A 21 -30.564 -36.479 -17.618 1.00 23.14 C ATOM 339 OE1 GLN A 21 -30.505 -35.269 -17.835 1.00 54.52 O ATOM 340 NE2 GLN A 21 -31.639 -37.206 -17.898 1.00 51.22 N ATOM 0 H GLN A 21 -28.529 -34.965 -14.734 1.00 21.30 H new ATOM 0 HA GLN A 21 -30.553 -35.871 -14.938 1.00 64.13 H new ATOM 0 HB2 GLN A 21 -28.875 -38.385 -15.289 1.00 35.30 H new ATOM 0 HB3 GLN A 21 -30.594 -38.313 -15.619 1.00 35.30 H new ATOM 0 HG2 GLN A 21 -28.523 -36.557 -16.980 1.00 12.32 H new ATOM 0 HG3 GLN A 21 -29.125 -38.063 -17.643 1.00 12.32 H new ATOM 0 HE21 GLN A 21 -31.643 -38.207 -17.701 1.00 51.22 H new ATOM 0 HE22 GLN A 21 -32.461 -36.764 -18.310 1.00 51.22 H new ATOM 349 N SER A 22 -30.044 -36.491 -12.157 1.00 21.43 N ATOM 350 CA SER A 22 -30.478 -36.933 -10.837 1.00 23.45 C ATOM 351 C SER A 22 -31.761 -36.221 -10.419 1.00 43.34 C ATOM 352 O SER A 22 -31.906 -35.800 -9.272 1.00 62.25 O ATOM 353 CB SER A 22 -29.379 -36.677 -9.803 1.00 53.30 C ATOM 354 OG SER A 22 -28.989 -35.314 -9.801 1.00 71.41 O ATOM 0 H SER A 22 -29.495 -35.631 -12.155 1.00 21.43 H new ATOM 0 HA SER A 22 -30.678 -38.003 -10.888 1.00 23.45 H new ATOM 0 HB2 SER A 22 -29.735 -36.958 -8.812 1.00 53.30 H new ATOM 0 HB3 SER A 22 -28.516 -37.305 -10.022 1.00 53.30 H new ATOM 0 HG SER A 22 -28.080 -35.233 -10.157 1.00 71.41 H new ATOM 360 N GLY A 23 -32.690 -36.089 -11.361 1.00 51.22 N ATOM 361 CA GLY A 23 -33.949 -35.427 -11.073 1.00 40.24 C ATOM 362 C GLY A 23 -33.793 -33.927 -10.918 1.00 31.15 C ATOM 363 O GLY A 23 -33.424 -33.442 -9.848 1.00 2.24 O ATOM 0 H GLY A 23 -32.593 -36.429 -12.318 1.00 51.22 H new ATOM 0 HA2 GLY A 23 -34.657 -35.635 -11.875 1.00 40.24 H new ATOM 0 HA3 GLY A 23 -34.373 -35.842 -10.158 1.00 40.24 H new ATOM 367 N HIS A 24 -34.073 -33.190 -11.988 1.00 33.13 N ATOM 368 CA HIS A 24 -33.961 -31.736 -11.965 1.00 50.02 C ATOM 369 C HIS A 24 -35.039 -31.094 -12.834 1.00 21.33 C ATOM 370 O HIS A 24 -35.387 -31.614 -13.894 1.00 24.42 O ATOM 371 CB HIS A 24 -32.576 -31.303 -12.448 1.00 13.25 C ATOM 372 CG HIS A 24 -31.515 -31.410 -11.396 1.00 71.31 C ATOM 373 ND1 HIS A 24 -30.419 -32.238 -11.515 1.00 61.31 N ATOM 374 CD2 HIS A 24 -31.386 -30.787 -10.202 1.00 2.33 C ATOM 375 CE1 HIS A 24 -29.662 -32.121 -10.439 1.00 11.33 C ATOM 376 NE2 HIS A 24 -30.226 -31.245 -9.626 1.00 75.52 N ATOM 0 H HIS A 24 -34.379 -33.575 -12.881 1.00 33.13 H new ATOM 0 HA HIS A 24 -34.101 -31.402 -10.937 1.00 50.02 H new ATOM 0 HB2 HIS A 24 -32.291 -31.915 -13.304 1.00 13.25 H new ATOM 0 HB3 HIS A 24 -32.628 -30.272 -12.797 1.00 13.25 H new ATOM 0 HD2 HIS A 24 -32.068 -30.064 -9.780 1.00 2.33 H new ATOM 0 HE1 HIS A 24 -28.739 -32.651 -10.255 1.00 11.33 H new ATOM 0 HE2 HIS A 24 -29.860 -30.956 -8.719 1.00 75.52 H new ATOM 384 N SER A 25 -35.564 -29.962 -12.376 1.00 73.35 N ATOM 385 CA SER A 25 -36.606 -29.252 -13.109 1.00 60.24 C ATOM 386 C SER A 25 -36.263 -27.772 -13.244 1.00 3.32 C ATOM 387 O SER A 25 -37.148 -26.925 -13.363 1.00 15.14 O ATOM 388 CB SER A 25 -37.955 -29.413 -12.405 1.00 5.31 C ATOM 389 OG SER A 25 -39.020 -28.999 -13.243 1.00 20.33 O ATOM 0 H SER A 25 -35.285 -29.517 -11.502 1.00 73.35 H new ATOM 0 HA SER A 25 -36.672 -29.684 -14.108 1.00 60.24 H new ATOM 0 HB2 SER A 25 -38.097 -30.455 -12.119 1.00 5.31 H new ATOM 0 HB3 SER A 25 -37.962 -28.826 -11.486 1.00 5.31 H new ATOM 0 HG SER A 25 -38.875 -28.071 -13.522 1.00 20.33 H new ATOM 395 N LYS A 26 -34.970 -27.467 -13.224 1.00 43.31 N ATOM 396 CA LYS A 26 -34.506 -26.090 -13.345 1.00 10.51 C ATOM 397 C LYS A 26 -33.225 -26.017 -14.169 1.00 62.14 C ATOM 398 O LYS A 26 -32.626 -27.043 -14.496 1.00 41.33 O ATOM 399 CB LYS A 26 -34.268 -25.487 -11.959 1.00 3.53 C ATOM 400 CG LYS A 26 -35.548 -25.164 -11.207 1.00 42.15 C ATOM 401 CD LYS A 26 -36.216 -23.914 -11.755 1.00 41.04 C ATOM 402 CE LYS A 26 -37.708 -23.905 -11.461 1.00 11.11 C ATOM 403 NZ LYS A 26 -37.985 -23.968 -9.999 1.00 74.22 N ATOM 0 H LYS A 26 -34.224 -28.156 -13.125 1.00 43.31 H new ATOM 0 HA LYS A 26 -35.279 -25.517 -13.857 1.00 10.51 H new ATOM 0 HB2 LYS A 26 -33.674 -26.183 -11.366 1.00 3.53 H new ATOM 0 HB3 LYS A 26 -33.679 -24.576 -12.065 1.00 3.53 H new ATOM 0 HG2 LYS A 26 -36.236 -26.007 -11.279 1.00 42.15 H new ATOM 0 HG3 LYS A 26 -35.324 -25.024 -10.149 1.00 42.15 H new ATOM 0 HD2 LYS A 26 -35.752 -23.030 -11.316 1.00 41.04 H new ATOM 0 HD3 LYS A 26 -36.056 -23.857 -12.832 1.00 41.04 H new ATOM 0 HE2 LYS A 26 -38.155 -23.002 -11.877 1.00 11.11 H new ATOM 0 HE3 LYS A 26 -38.181 -24.752 -11.957 1.00 11.11 H new ATOM 0 HZ1 LYS A 26 -38.999 -23.807 -9.830 1.00 74.22 H new ATOM 0 HZ2 LYS A 26 -37.718 -24.905 -9.635 1.00 74.22 H new ATOM 0 HZ3 LYS A 26 -37.432 -23.236 -9.509 1.00 74.22 H new ATOM 417 N LEU A 27 -32.809 -24.800 -14.502 1.00 24.14 N ATOM 418 CA LEU A 27 -31.597 -24.594 -15.287 1.00 43.20 C ATOM 419 C LEU A 27 -30.639 -23.647 -14.571 1.00 43.25 C ATOM 420 O LEU A 27 -30.703 -22.430 -14.748 1.00 72.13 O ATOM 421 CB LEU A 27 -31.948 -24.035 -16.667 1.00 35.02 C ATOM 422 CG LEU A 27 -32.618 -25.011 -17.635 1.00 43.24 C ATOM 423 CD1 LEU A 27 -32.945 -24.318 -18.949 1.00 73.43 C ATOM 424 CD2 LEU A 27 -31.726 -26.220 -17.876 1.00 4.04 C ATOM 0 H LEU A 27 -33.293 -23.941 -14.241 1.00 24.14 H new ATOM 0 HA LEU A 27 -31.103 -25.558 -15.407 1.00 43.20 H new ATOM 0 HB2 LEU A 27 -32.607 -23.177 -16.533 1.00 35.02 H new ATOM 0 HB3 LEU A 27 -31.034 -23.665 -17.130 1.00 35.02 H new ATOM 0 HG LEU A 27 -33.550 -25.356 -17.187 1.00 43.24 H new ATOM 0 HD11 LEU A 27 -33.421 -25.027 -19.626 1.00 73.43 H new ATOM 0 HD12 LEU A 27 -33.622 -23.484 -18.762 1.00 73.43 H new ATOM 0 HD13 LEU A 27 -32.026 -23.945 -19.402 1.00 73.43 H new ATOM 0 HD21 LEU A 27 -32.219 -26.904 -18.567 1.00 4.04 H new ATOM 0 HD22 LEU A 27 -30.778 -25.893 -18.303 1.00 4.04 H new ATOM 0 HD23 LEU A 27 -31.541 -26.730 -16.931 1.00 4.04 H new ATOM 436 N LYS A 28 -29.748 -24.213 -13.764 1.00 33.11 N ATOM 437 CA LYS A 28 -28.773 -23.421 -13.024 1.00 15.04 C ATOM 438 C LYS A 28 -27.616 -24.291 -12.545 1.00 64.35 C ATOM 439 O LYS A 28 -27.810 -25.229 -11.772 1.00 43.15 O ATOM 440 CB LYS A 28 -29.442 -22.740 -11.827 1.00 22.41 C ATOM 441 CG LYS A 28 -28.558 -21.715 -11.139 1.00 2.14 C ATOM 442 CD LYS A 28 -29.265 -21.072 -9.958 1.00 14.43 C ATOM 443 CE LYS A 28 -30.520 -20.332 -10.395 1.00 50.44 C ATOM 444 NZ LYS A 28 -30.871 -19.231 -9.456 1.00 0.12 N ATOM 0 H LYS A 28 -29.681 -25.218 -13.606 1.00 33.11 H new ATOM 0 HA LYS A 28 -28.377 -22.658 -13.695 1.00 15.04 H new ATOM 0 HB2 LYS A 28 -30.357 -22.252 -12.162 1.00 22.41 H new ATOM 0 HB3 LYS A 28 -29.733 -23.501 -11.103 1.00 22.41 H new ATOM 0 HG2 LYS A 28 -27.641 -22.195 -10.798 1.00 2.14 H new ATOM 0 HG3 LYS A 28 -28.268 -20.945 -11.854 1.00 2.14 H new ATOM 0 HD2 LYS A 28 -29.529 -21.838 -9.229 1.00 14.43 H new ATOM 0 HD3 LYS A 28 -28.587 -20.378 -9.460 1.00 14.43 H new ATOM 0 HE2 LYS A 28 -30.371 -19.923 -11.394 1.00 50.44 H new ATOM 0 HE3 LYS A 28 -31.352 -21.034 -10.459 1.00 50.44 H new ATOM 0 HZ1 LYS A 28 -31.801 -18.840 -9.711 1.00 0.12 H new ATOM 0 HZ2 LYS A 28 -30.905 -19.601 -8.485 1.00 0.12 H new ATOM 0 HZ3 LYS A 28 -30.152 -18.482 -9.516 1.00 0.12 H new ATOM 458 N ALA A 29 -26.411 -23.973 -13.009 1.00 75.45 N ATOM 459 CA ALA A 29 -25.222 -24.724 -12.626 1.00 74.32 C ATOM 460 C ALA A 29 -24.077 -23.788 -12.256 1.00 53.21 C ATOM 461 O ALA A 29 -23.350 -24.032 -11.293 1.00 54.41 O ATOM 462 CB ALA A 29 -24.801 -25.657 -13.752 1.00 53.23 C ATOM 0 H ALA A 29 -26.233 -23.200 -13.651 1.00 75.45 H new ATOM 0 HA ALA A 29 -25.467 -25.321 -11.747 1.00 74.32 H new ATOM 0 HB1 ALA A 29 -23.912 -26.211 -13.452 1.00 53.23 H new ATOM 0 HB2 ALA A 29 -25.609 -26.356 -13.967 1.00 53.23 H new ATOM 0 HB3 ALA A 29 -24.580 -25.073 -14.645 1.00 53.23 H new ATOM 468 N TRP A 30 -23.922 -22.717 -13.027 1.00 34.51 N ATOM 469 CA TRP A 30 -22.864 -21.745 -12.780 1.00 12.43 C ATOM 470 C TRP A 30 -23.426 -20.481 -12.138 1.00 2.31 C ATOM 471 O TRP A 30 -24.590 -20.134 -12.339 1.00 60.53 O ATOM 472 CB TRP A 30 -22.150 -21.394 -14.086 1.00 52.01 C ATOM 473 CG TRP A 30 -21.213 -22.465 -14.557 1.00 10.23 C ATOM 474 CD1 TRP A 30 -21.547 -23.620 -15.204 1.00 33.12 C ATOM 475 CD2 TRP A 30 -19.788 -22.480 -14.415 1.00 14.21 C ATOM 476 NE1 TRP A 30 -20.416 -24.352 -15.473 1.00 32.43 N ATOM 477 CE2 TRP A 30 -19.324 -23.674 -15.000 1.00 31.33 C ATOM 478 CE3 TRP A 30 -18.860 -21.600 -13.853 1.00 3.22 C ATOM 479 CZ2 TRP A 30 -17.973 -24.009 -15.036 1.00 11.21 C ATOM 480 CZ3 TRP A 30 -17.519 -21.933 -13.889 1.00 72.53 C ATOM 481 CH2 TRP A 30 -17.086 -23.129 -14.478 1.00 41.10 C ATOM 0 H TRP A 30 -24.515 -22.500 -13.828 1.00 34.51 H new ATOM 0 HA TRP A 30 -22.147 -22.192 -12.092 1.00 12.43 H new ATOM 0 HB2 TRP A 30 -22.894 -21.207 -14.860 1.00 52.01 H new ATOM 0 HB3 TRP A 30 -21.592 -20.468 -13.949 1.00 52.01 H new ATOM 0 HD1 TRP A 30 -22.552 -23.915 -15.466 1.00 33.12 H new ATOM 0 HE1 TRP A 30 -20.393 -25.254 -15.948 1.00 32.43 H new ATOM 0 HE3 TRP A 30 -19.185 -20.676 -13.398 1.00 3.22 H new ATOM 0 HZ2 TRP A 30 -17.637 -24.930 -15.488 1.00 11.21 H new ATOM 0 HZ3 TRP A 30 -16.793 -21.261 -13.456 1.00 72.53 H new ATOM 0 HH2 TRP A 30 -16.031 -23.361 -14.492 1.00 41.10 H new ATOM 492 N LYS A 31 -22.592 -19.794 -11.364 1.00 64.42 N ATOM 493 CA LYS A 31 -23.004 -18.567 -10.693 1.00 60.24 C ATOM 494 C LYS A 31 -22.144 -17.388 -11.139 1.00 35.41 C ATOM 495 O LYS A 31 -20.955 -17.545 -11.417 1.00 43.51 O ATOM 496 CB LYS A 31 -22.910 -18.735 -9.175 1.00 75.32 C ATOM 497 CG LYS A 31 -23.520 -20.031 -8.668 1.00 53.40 C ATOM 498 CD LYS A 31 -25.016 -20.082 -8.928 1.00 75.03 C ATOM 499 CE LYS A 31 -25.733 -20.940 -7.896 1.00 45.14 C ATOM 500 NZ LYS A 31 -25.719 -22.382 -8.268 1.00 43.10 N ATOM 0 H LYS A 31 -21.625 -20.067 -11.186 1.00 64.42 H new ATOM 0 HA LYS A 31 -24.039 -18.363 -10.966 1.00 60.24 H new ATOM 0 HB2 LYS A 31 -21.862 -18.696 -8.878 1.00 75.32 H new ATOM 0 HB3 LYS A 31 -23.410 -17.895 -8.693 1.00 75.32 H new ATOM 0 HG2 LYS A 31 -23.036 -20.877 -9.156 1.00 53.40 H new ATOM 0 HG3 LYS A 31 -23.332 -20.129 -7.599 1.00 53.40 H new ATOM 0 HD2 LYS A 31 -25.424 -19.071 -8.909 1.00 75.03 H new ATOM 0 HD3 LYS A 31 -25.200 -20.481 -9.925 1.00 75.03 H new ATOM 0 HE2 LYS A 31 -25.258 -20.811 -6.923 1.00 45.14 H new ATOM 0 HE3 LYS A 31 -26.764 -20.601 -7.795 1.00 45.14 H new ATOM 0 HZ1 LYS A 31 -26.217 -22.933 -7.540 1.00 43.10 H new ATOM 0 HZ2 LYS A 31 -26.195 -22.509 -9.184 1.00 43.10 H new ATOM 0 HZ3 LYS A 31 -24.736 -22.712 -8.340 1.00 43.10 H new ATOM 514 N LEU A 32 -22.753 -16.209 -11.203 1.00 71.41 N ATOM 515 CA LEU A 32 -22.043 -15.003 -11.613 1.00 63.02 C ATOM 516 C LEU A 32 -22.369 -13.837 -10.685 1.00 63.13 C ATOM 517 O LEU A 32 -23.525 -13.628 -10.320 1.00 2.43 O ATOM 518 CB LEU A 32 -22.405 -14.639 -13.054 1.00 64.43 C ATOM 519 CG LEU A 32 -21.602 -13.498 -13.680 1.00 60.45 C ATOM 520 CD1 LEU A 32 -22.116 -12.153 -13.192 1.00 32.21 C ATOM 521 CD2 LEU A 32 -20.121 -13.652 -13.365 1.00 33.12 C ATOM 0 H LEU A 32 -23.737 -16.063 -10.976 1.00 71.41 H new ATOM 0 HA LEU A 32 -20.973 -15.203 -11.553 1.00 63.02 H new ATOM 0 HB2 LEU A 32 -22.281 -15.527 -13.674 1.00 64.43 H new ATOM 0 HB3 LEU A 32 -23.462 -14.373 -13.086 1.00 64.43 H new ATOM 0 HG LEU A 32 -21.729 -13.541 -14.762 1.00 60.45 H new ATOM 0 HD11 LEU A 32 -21.532 -11.353 -13.648 1.00 32.21 H new ATOM 0 HD12 LEU A 32 -23.164 -12.041 -13.470 1.00 32.21 H new ATOM 0 HD13 LEU A 32 -22.020 -12.099 -12.108 1.00 32.21 H new ATOM 0 HD21 LEU A 32 -19.565 -12.831 -13.819 1.00 33.12 H new ATOM 0 HD22 LEU A 32 -19.975 -13.636 -12.285 1.00 33.12 H new ATOM 0 HD23 LEU A 32 -19.760 -14.599 -13.766 1.00 33.12 H new ATOM 533 N GLU A 33 -21.342 -13.081 -10.310 1.00 42.35 N ATOM 534 CA GLU A 33 -21.520 -11.935 -9.426 1.00 55.14 C ATOM 535 C GLU A 33 -20.503 -10.842 -9.740 1.00 2.11 C ATOM 536 O GLU A 33 -19.319 -10.972 -9.427 1.00 52.12 O ATOM 537 CB GLU A 33 -21.389 -12.365 -7.964 1.00 64.50 C ATOM 538 CG GLU A 33 -22.219 -11.528 -7.006 1.00 23.13 C ATOM 539 CD GLU A 33 -21.837 -10.061 -7.032 1.00 51.24 C ATOM 540 OE1 GLU A 33 -20.801 -9.707 -6.432 1.00 2.04 O ATOM 541 OE2 GLU A 33 -22.574 -9.267 -7.653 1.00 50.32 O ATOM 0 H GLU A 33 -20.379 -13.241 -10.604 1.00 42.35 H new ATOM 0 HA GLU A 33 -22.520 -11.534 -9.591 1.00 55.14 H new ATOM 0 HB2 GLU A 33 -21.688 -13.409 -7.873 1.00 64.50 H new ATOM 0 HB3 GLU A 33 -20.341 -12.307 -7.670 1.00 64.50 H new ATOM 0 HG2 GLU A 33 -23.274 -11.629 -7.261 1.00 23.13 H new ATOM 0 HG3 GLU A 33 -22.097 -11.913 -5.994 1.00 23.13 H new ATOM 548 N PHE A 34 -20.973 -9.765 -10.360 1.00 44.35 N ATOM 549 CA PHE A 34 -20.104 -8.649 -10.718 1.00 75.14 C ATOM 550 C PHE A 34 -20.181 -7.543 -9.671 1.00 1.55 C ATOM 551 O PHE A 34 -21.253 -7.246 -9.144 1.00 43.42 O ATOM 552 CB PHE A 34 -20.491 -8.095 -12.091 1.00 41.41 C ATOM 553 CG PHE A 34 -21.786 -7.334 -12.088 1.00 31.15 C ATOM 554 CD1 PHE A 34 -22.998 -8.004 -12.143 1.00 41.33 C ATOM 555 CD2 PHE A 34 -21.792 -5.950 -12.028 1.00 1.12 C ATOM 556 CE1 PHE A 34 -24.191 -7.306 -12.141 1.00 31.20 C ATOM 557 CE2 PHE A 34 -22.982 -5.247 -12.025 1.00 11.03 C ATOM 558 CZ PHE A 34 -24.183 -5.926 -12.080 1.00 73.33 C ATOM 0 H PHE A 34 -21.950 -9.641 -10.625 1.00 44.35 H new ATOM 0 HA PHE A 34 -19.079 -9.017 -10.758 1.00 75.14 H new ATOM 0 HB2 PHE A 34 -19.695 -7.441 -12.447 1.00 41.41 H new ATOM 0 HB3 PHE A 34 -20.566 -8.920 -12.799 1.00 41.41 H new ATOM 0 HD1 PHE A 34 -23.010 -9.083 -12.188 1.00 41.33 H new ATOM 0 HD2 PHE A 34 -20.856 -5.414 -11.983 1.00 1.12 H new ATOM 0 HE1 PHE A 34 -25.129 -7.839 -12.187 1.00 31.20 H new ATOM 0 HE2 PHE A 34 -22.972 -4.168 -11.980 1.00 11.03 H new ATOM 0 HZ PHE A 34 -25.114 -5.379 -12.075 1.00 73.33 H new ATOM 568 N GLU A 35 -19.035 -6.937 -9.373 1.00 73.12 N ATOM 569 CA GLU A 35 -18.972 -5.865 -8.387 1.00 53.42 C ATOM 570 C GLU A 35 -19.768 -4.649 -8.854 1.00 32.10 C ATOM 571 O GLU A 35 -20.056 -4.482 -10.039 1.00 41.23 O ATOM 572 CB GLU A 35 -17.518 -5.466 -8.126 1.00 72.34 C ATOM 573 CG GLU A 35 -16.837 -6.311 -7.062 1.00 53.43 C ATOM 574 CD GLU A 35 -17.465 -6.140 -5.692 1.00 62.14 C ATOM 575 OE1 GLU A 35 -18.500 -6.786 -5.429 1.00 14.01 O ATOM 576 OE2 GLU A 35 -16.919 -5.360 -4.884 1.00 32.23 O ATOM 0 H GLU A 35 -18.139 -7.170 -9.800 1.00 73.12 H new ATOM 0 HA GLU A 35 -19.412 -6.233 -7.460 1.00 53.42 H new ATOM 0 HB2 GLU A 35 -16.956 -5.546 -9.056 1.00 72.34 H new ATOM 0 HB3 GLU A 35 -17.486 -4.420 -7.823 1.00 72.34 H new ATOM 0 HG2 GLU A 35 -16.885 -7.361 -7.351 1.00 53.43 H new ATOM 0 HG3 GLU A 35 -15.782 -6.042 -7.010 1.00 53.43 H new ATOM 583 N PRO A 36 -20.134 -3.780 -7.900 1.00 44.21 N ATOM 584 CA PRO A 36 -20.901 -2.565 -8.188 1.00 51.45 C ATOM 585 C PRO A 36 -20.083 -1.531 -8.955 1.00 14.42 C ATOM 586 O PRO A 36 -18.872 -1.418 -8.765 1.00 14.05 O ATOM 587 CB PRO A 36 -21.264 -2.036 -6.798 1.00 60.15 C ATOM 588 CG PRO A 36 -20.206 -2.576 -5.900 1.00 22.33 C ATOM 589 CD PRO A 36 -19.825 -3.916 -6.467 1.00 11.03 C ATOM 0 HA PRO A 36 -21.765 -2.769 -8.820 1.00 51.45 H new ATOM 0 HB2 PRO A 36 -21.280 -0.946 -6.781 1.00 60.15 H new ATOM 0 HB3 PRO A 36 -22.254 -2.374 -6.492 1.00 60.15 H new ATOM 0 HG2 PRO A 36 -19.345 -1.908 -5.865 1.00 22.33 H new ATOM 0 HG3 PRO A 36 -20.574 -2.675 -4.879 1.00 22.33 H new ATOM 0 HD2 PRO A 36 -18.770 -4.137 -6.302 1.00 11.03 H new ATOM 0 HD3 PRO A 36 -20.395 -4.724 -6.008 1.00 11.03 H new ATOM 597 N SER A 37 -20.753 -0.777 -9.821 1.00 61.33 N ATOM 598 CA SER A 37 -20.087 0.246 -10.619 1.00 70.31 C ATOM 599 C SER A 37 -20.550 1.641 -10.210 1.00 74.41 C ATOM 600 O SER A 37 -19.813 2.387 -9.565 1.00 53.20 O ATOM 601 CB SER A 37 -20.361 0.021 -12.107 1.00 73.23 C ATOM 602 OG SER A 37 -21.689 -0.428 -12.319 1.00 65.31 O ATOM 0 H SER A 37 -21.756 -0.855 -9.988 1.00 61.33 H new ATOM 0 HA SER A 37 -19.015 0.171 -10.439 1.00 70.31 H new ATOM 0 HB2 SER A 37 -20.196 0.949 -12.655 1.00 73.23 H new ATOM 0 HB3 SER A 37 -19.658 -0.712 -12.503 1.00 73.23 H new ATOM 0 HG SER A 37 -21.840 -0.563 -13.278 1.00 65.31 H new ATOM 608 N CYS A 38 -21.776 1.985 -10.590 1.00 22.21 N ATOM 609 CA CYS A 38 -22.339 3.290 -10.264 1.00 42.41 C ATOM 610 C CYS A 38 -23.810 3.362 -10.660 1.00 10.10 C ATOM 611 O CYS A 38 -24.217 2.809 -11.682 1.00 54.12 O ATOM 612 CB CYS A 38 -21.554 4.398 -10.969 1.00 21.31 C ATOM 613 SG CYS A 38 -21.592 5.989 -10.112 1.00 5.31 S ATOM 0 H CYS A 38 -22.398 1.378 -11.124 1.00 22.21 H new ATOM 0 HA CYS A 38 -22.264 3.431 -9.186 1.00 42.41 H new ATOM 0 HB2 CYS A 38 -20.517 4.081 -11.078 1.00 21.31 H new ATOM 0 HB3 CYS A 38 -21.955 4.529 -11.974 1.00 21.31 H new ATOM 0 HG CYS A 38 -20.899 6.860 -10.783 1.00 5.31 H new ATOM 619 N THR A 39 -24.605 4.046 -9.843 1.00 2.22 N ATOM 620 CA THR A 39 -26.031 4.188 -10.106 1.00 13.15 C ATOM 621 C THR A 39 -26.701 2.827 -10.255 1.00 20.24 C ATOM 622 O THR A 39 -27.481 2.608 -11.181 1.00 32.32 O ATOM 623 CB THR A 39 -26.288 5.016 -11.379 1.00 14.34 C ATOM 624 OG1 THR A 39 -25.412 6.149 -11.412 1.00 35.53 O ATOM 625 CG2 THR A 39 -27.734 5.485 -11.436 1.00 53.41 C ATOM 0 H THR A 39 -24.285 4.510 -8.993 1.00 2.22 H new ATOM 0 HA THR A 39 -26.460 4.709 -9.250 1.00 13.15 H new ATOM 0 HB THR A 39 -26.094 4.382 -12.244 1.00 14.34 H new ATOM 0 HG1 THR A 39 -25.581 6.669 -12.225 1.00 35.53 H new ATOM 0 HG21 THR A 39 -27.892 6.068 -12.344 1.00 53.41 H new ATOM 0 HG22 THR A 39 -28.397 4.620 -11.440 1.00 53.41 H new ATOM 0 HG23 THR A 39 -27.950 6.104 -10.565 1.00 53.41 H new ATOM 633 N GLN A 40 -26.391 1.917 -9.337 1.00 74.50 N ATOM 634 CA GLN A 40 -26.964 0.576 -9.368 1.00 14.13 C ATOM 635 C GLN A 40 -28.487 0.636 -9.423 1.00 54.21 C ATOM 636 O GLN A 40 -29.098 1.595 -8.951 1.00 13.14 O ATOM 637 CB GLN A 40 -26.518 -0.221 -8.141 1.00 1.54 C ATOM 638 CG GLN A 40 -25.067 -0.670 -8.202 1.00 71.20 C ATOM 639 CD GLN A 40 -24.596 -1.301 -6.906 1.00 74.25 C ATOM 640 OE1 GLN A 40 -24.734 -2.508 -6.705 1.00 22.15 O ATOM 641 NE2 GLN A 40 -24.037 -0.486 -6.020 1.00 22.32 N ATOM 0 H GLN A 40 -25.747 2.083 -8.564 1.00 74.50 H new ATOM 0 HA GLN A 40 -26.605 0.076 -10.268 1.00 14.13 H new ATOM 0 HB2 GLN A 40 -26.664 0.389 -7.249 1.00 1.54 H new ATOM 0 HB3 GLN A 40 -27.157 -1.098 -8.036 1.00 1.54 H new ATOM 0 HG2 GLN A 40 -24.946 -1.386 -9.015 1.00 71.20 H new ATOM 0 HG3 GLN A 40 -24.435 0.187 -8.435 1.00 71.20 H new ATOM 0 HE21 GLN A 40 -23.943 0.508 -6.229 1.00 22.32 H new ATOM 0 HE22 GLN A 40 -23.701 -0.854 -5.130 1.00 22.32 H new ATOM 650 N TYR A 41 -29.094 -0.393 -10.003 1.00 73.12 N ATOM 651 CA TYR A 41 -30.546 -0.456 -10.123 1.00 10.01 C ATOM 652 C TYR A 41 -31.146 -1.332 -9.027 1.00 64.45 C ATOM 653 O TYR A 41 -30.423 -1.956 -8.249 1.00 14.35 O ATOM 654 CB TYR A 41 -30.942 -0.996 -11.498 1.00 35.31 C ATOM 655 CG TYR A 41 -31.019 0.069 -12.568 1.00 51.01 C ATOM 656 CD1 TYR A 41 -32.198 0.767 -12.798 1.00 41.31 C ATOM 657 CD2 TYR A 41 -29.912 0.378 -13.349 1.00 3.04 C ATOM 658 CE1 TYR A 41 -32.272 1.741 -13.775 1.00 74.24 C ATOM 659 CE2 TYR A 41 -29.977 1.351 -14.327 1.00 43.12 C ATOM 660 CZ TYR A 41 -31.159 2.029 -14.537 1.00 52.20 C ATOM 661 OH TYR A 41 -31.229 2.999 -15.510 1.00 50.35 O ATOM 0 H TYR A 41 -28.603 -1.195 -10.398 1.00 73.12 H new ATOM 0 HA TYR A 41 -30.939 0.555 -10.010 1.00 10.01 H new ATOM 0 HB2 TYR A 41 -30.220 -1.754 -11.803 1.00 35.31 H new ATOM 0 HB3 TYR A 41 -31.910 -1.491 -11.420 1.00 35.31 H new ATOM 0 HD1 TYR A 41 -33.071 0.544 -12.203 1.00 41.31 H new ATOM 0 HD2 TYR A 41 -28.985 -0.152 -13.188 1.00 3.04 H new ATOM 0 HE1 TYR A 41 -33.196 2.274 -13.941 1.00 74.24 H new ATOM 0 HE2 TYR A 41 -29.107 1.580 -14.924 1.00 43.12 H new ATOM 0 HH TYR A 41 -30.359 3.080 -15.955 1.00 50.35 H new ATOM 671 N THR A 42 -32.473 -1.376 -8.974 1.00 33.02 N ATOM 672 CA THR A 42 -33.172 -2.175 -7.975 1.00 10.31 C ATOM 673 C THR A 42 -33.407 -3.596 -8.473 1.00 41.04 C ATOM 674 O THR A 42 -33.509 -3.832 -9.677 1.00 11.13 O ATOM 675 CB THR A 42 -34.526 -1.544 -7.599 1.00 32.45 C ATOM 676 OG1 THR A 42 -35.088 -2.226 -6.471 1.00 64.35 O ATOM 677 CG2 THR A 42 -35.496 -1.606 -8.769 1.00 44.33 C ATOM 0 H THR A 42 -33.086 -0.868 -9.611 1.00 33.02 H new ATOM 0 HA THR A 42 -32.535 -2.204 -7.091 1.00 10.31 H new ATOM 0 HB THR A 42 -34.356 -0.498 -7.344 1.00 32.45 H new ATOM 0 HG1 THR A 42 -35.948 -1.818 -6.237 1.00 64.35 H new ATOM 0 HG21 THR A 42 -36.445 -1.154 -8.479 1.00 44.33 H new ATOM 0 HG22 THR A 42 -35.079 -1.062 -9.617 1.00 44.33 H new ATOM 0 HG23 THR A 42 -35.660 -2.646 -9.051 1.00 44.33 H new ATOM 685 N GLU A 43 -33.492 -4.539 -7.540 1.00 72.03 N ATOM 686 CA GLU A 43 -33.715 -5.938 -7.887 1.00 13.31 C ATOM 687 C GLU A 43 -34.920 -6.084 -8.812 1.00 12.51 C ATOM 688 O GLU A 43 -35.809 -5.233 -8.853 1.00 53.14 O ATOM 689 CB GLU A 43 -33.926 -6.772 -6.622 1.00 24.51 C ATOM 690 CG GLU A 43 -34.854 -6.122 -5.611 1.00 14.33 C ATOM 691 CD GLU A 43 -35.358 -7.100 -4.567 1.00 53.13 C ATOM 692 OE1 GLU A 43 -34.520 -7.757 -3.916 1.00 32.41 O ATOM 693 OE2 GLU A 43 -36.592 -7.207 -4.402 1.00 64.35 O ATOM 0 H GLU A 43 -33.410 -4.360 -6.539 1.00 72.03 H new ATOM 0 HA GLU A 43 -32.831 -6.301 -8.411 1.00 13.31 H new ATOM 0 HB2 GLU A 43 -34.332 -7.744 -6.902 1.00 24.51 H new ATOM 0 HB3 GLU A 43 -32.960 -6.953 -6.151 1.00 24.51 H new ATOM 0 HG2 GLU A 43 -34.330 -5.305 -5.115 1.00 14.33 H new ATOM 0 HG3 GLU A 43 -35.704 -5.684 -6.133 1.00 14.33 H new ATOM 700 N PRO A 44 -34.951 -7.188 -9.573 1.00 13.33 N ATOM 701 CA PRO A 44 -36.041 -7.472 -10.511 1.00 41.13 C ATOM 702 C PRO A 44 -37.347 -7.807 -9.799 1.00 62.41 C ATOM 703 O PRO A 44 -37.370 -8.005 -8.584 1.00 21.55 O ATOM 704 CB PRO A 44 -35.530 -8.686 -11.291 1.00 22.11 C ATOM 705 CG PRO A 44 -34.565 -9.349 -10.370 1.00 3.12 C ATOM 706 CD PRO A 44 -33.925 -8.244 -9.575 1.00 34.11 C ATOM 0 HA PRO A 44 -36.273 -6.612 -11.139 1.00 41.13 H new ATOM 0 HB2 PRO A 44 -36.346 -9.357 -11.559 1.00 22.11 H new ATOM 0 HB3 PRO A 44 -35.047 -8.385 -12.221 1.00 22.11 H new ATOM 0 HG2 PRO A 44 -35.074 -10.057 -9.715 1.00 3.12 H new ATOM 0 HG3 PRO A 44 -33.817 -9.912 -10.928 1.00 3.12 H new ATOM 0 HD2 PRO A 44 -33.679 -8.567 -8.564 1.00 34.11 H new ATOM 0 HD3 PRO A 44 -32.998 -7.903 -10.035 1.00 34.11 H new ATOM 714 N LEU A 45 -38.432 -7.870 -10.562 1.00 72.13 N ATOM 715 CA LEU A 45 -39.743 -8.183 -10.004 1.00 12.41 C ATOM 716 C LEU A 45 -39.961 -9.691 -9.936 1.00 3.21 C ATOM 717 O LEU A 45 -40.095 -10.355 -10.963 1.00 31.20 O ATOM 718 CB LEU A 45 -40.845 -7.534 -10.844 1.00 61.31 C ATOM 719 CG LEU A 45 -42.253 -7.574 -10.250 1.00 74.52 C ATOM 720 CD1 LEU A 45 -42.304 -6.798 -8.943 1.00 60.52 C ATOM 721 CD2 LEU A 45 -43.266 -7.020 -11.241 1.00 52.14 C ATOM 0 H LEU A 45 -38.430 -7.708 -11.569 1.00 72.13 H new ATOM 0 HA LEU A 45 -39.784 -7.783 -8.991 1.00 12.41 H new ATOM 0 HB2 LEU A 45 -40.575 -6.492 -11.018 1.00 61.31 H new ATOM 0 HB3 LEU A 45 -40.869 -8.024 -11.817 1.00 61.31 H new ATOM 0 HG LEU A 45 -42.509 -8.613 -10.042 1.00 74.52 H new ATOM 0 HD11 LEU A 45 -43.314 -6.838 -8.535 1.00 60.52 H new ATOM 0 HD12 LEU A 45 -41.607 -7.239 -8.230 1.00 60.52 H new ATOM 0 HD13 LEU A 45 -42.027 -5.760 -9.125 1.00 60.52 H new ATOM 0 HD21 LEU A 45 -44.263 -7.056 -10.801 1.00 52.14 H new ATOM 0 HD22 LEU A 45 -43.013 -5.987 -11.481 1.00 52.14 H new ATOM 0 HD23 LEU A 45 -43.249 -7.619 -12.152 1.00 52.14 H new ATOM 733 N MET A 46 -39.996 -10.224 -8.719 1.00 53.01 N ATOM 734 CA MET A 46 -40.201 -11.654 -8.517 1.00 54.33 C ATOM 735 C MET A 46 -41.244 -11.906 -7.433 1.00 1.33 C ATOM 736 O MET A 46 -41.325 -11.166 -6.453 1.00 53.34 O ATOM 737 CB MET A 46 -38.883 -12.332 -8.141 1.00 4.42 C ATOM 738 CG MET A 46 -38.835 -13.809 -8.497 1.00 13.34 C ATOM 739 SD MET A 46 -38.800 -14.094 -10.277 1.00 15.53 S ATOM 740 CE MET A 46 -37.986 -15.687 -10.349 1.00 32.23 C ATOM 0 H MET A 46 -39.885 -9.688 -7.858 1.00 53.01 H new ATOM 0 HA MET A 46 -40.565 -12.079 -9.452 1.00 54.33 H new ATOM 0 HB2 MET A 46 -38.064 -11.819 -8.644 1.00 4.42 H new ATOM 0 HB3 MET A 46 -38.719 -12.220 -7.069 1.00 4.42 H new ATOM 0 HG2 MET A 46 -37.952 -14.259 -8.043 1.00 13.34 H new ATOM 0 HG3 MET A 46 -39.704 -14.310 -8.070 1.00 13.34 H new ATOM 0 HE1 MET A 46 -38.227 -16.176 -11.293 1.00 32.23 H new ATOM 0 HE2 MET A 46 -36.907 -15.548 -10.277 1.00 32.23 H new ATOM 0 HE3 MET A 46 -38.327 -16.308 -9.521 1.00 32.23 H new ATOM 750 N ASN A 47 -42.039 -12.955 -7.615 1.00 54.31 N ATOM 751 CA ASN A 47 -43.078 -13.303 -6.652 1.00 24.21 C ATOM 752 C ASN A 47 -43.466 -14.773 -6.779 1.00 55.02 C ATOM 753 O ASN A 47 -43.492 -15.326 -7.879 1.00 12.51 O ATOM 754 CB ASN A 47 -44.309 -12.419 -6.856 1.00 12.32 C ATOM 755 CG ASN A 47 -44.839 -12.483 -8.275 1.00 45.15 C ATOM 756 OD1 ASN A 47 -45.691 -13.311 -8.595 1.00 34.31 O ATOM 757 ND2 ASN A 47 -44.333 -11.606 -9.135 1.00 73.13 N ATOM 0 H ASN A 47 -41.984 -13.579 -8.420 1.00 54.31 H new ATOM 0 HA ASN A 47 -42.682 -13.135 -5.651 1.00 24.21 H new ATOM 0 HB2 ASN A 47 -45.093 -12.727 -6.164 1.00 12.32 H new ATOM 0 HB3 ASN A 47 -44.056 -11.387 -6.612 1.00 12.32 H new ATOM 0 HD21 ASN A 47 -44.650 -11.602 -10.105 1.00 73.13 H new ATOM 0 HD22 ASN A 47 -43.628 -10.937 -8.826 1.00 73.13 H new ATOM 764 N TRP A 48 -43.769 -15.399 -5.648 1.00 24.13 N ATOM 765 CA TRP A 48 -44.157 -16.805 -5.633 1.00 0.04 C ATOM 766 C TRP A 48 -45.256 -17.055 -4.606 1.00 54.13 C ATOM 767 O TRP A 48 -45.508 -16.222 -3.735 1.00 55.52 O ATOM 768 CB TRP A 48 -42.945 -17.687 -5.325 1.00 55.34 C ATOM 769 CG TRP A 48 -42.137 -18.029 -6.540 1.00 4.31 C ATOM 770 CD1 TRP A 48 -41.266 -17.211 -7.202 1.00 2.13 C ATOM 771 CD2 TRP A 48 -42.125 -19.279 -7.238 1.00 55.30 C ATOM 772 NE1 TRP A 48 -40.714 -17.877 -8.269 1.00 60.22 N ATOM 773 CE2 TRP A 48 -41.224 -19.148 -8.313 1.00 13.33 C ATOM 774 CE3 TRP A 48 -42.787 -20.496 -7.059 1.00 32.42 C ATOM 775 CZ2 TRP A 48 -40.971 -20.188 -9.203 1.00 32.13 C ATOM 776 CZ3 TRP A 48 -42.535 -21.528 -7.943 1.00 52.11 C ATOM 777 CH2 TRP A 48 -41.633 -21.369 -9.004 1.00 32.15 C ATOM 0 H TRP A 48 -43.754 -14.956 -4.729 1.00 24.13 H new ATOM 0 HA TRP A 48 -44.542 -17.060 -6.620 1.00 0.04 H new ATOM 0 HB2 TRP A 48 -42.306 -17.176 -4.604 1.00 55.34 H new ATOM 0 HB3 TRP A 48 -43.285 -18.608 -4.852 1.00 55.34 H new ATOM 0 HD1 TRP A 48 -41.044 -16.191 -6.927 1.00 2.13 H new ATOM 0 HE1 TRP A 48 -40.034 -17.488 -8.923 1.00 60.22 H new ATOM 0 HE3 TRP A 48 -43.483 -20.628 -6.244 1.00 32.42 H new ATOM 0 HZ2 TRP A 48 -40.277 -20.067 -10.022 1.00 32.13 H new ATOM 0 HZ3 TRP A 48 -43.042 -22.473 -7.814 1.00 52.11 H new ATOM 0 HH2 TRP A 48 -41.457 -22.195 -9.678 1.00 32.15 H new ATOM 788 N THR A 49 -45.909 -18.208 -4.714 1.00 34.05 N ATOM 789 CA THR A 49 -46.983 -18.567 -3.795 1.00 43.12 C ATOM 790 C THR A 49 -46.588 -19.755 -2.926 1.00 32.40 C ATOM 791 O THR A 49 -46.663 -19.692 -1.700 1.00 4.13 O ATOM 792 CB THR A 49 -48.280 -18.908 -4.553 1.00 1.42 C ATOM 793 OG1 THR A 49 -48.026 -19.929 -5.524 1.00 32.13 O ATOM 794 CG2 THR A 49 -48.844 -17.674 -5.242 1.00 62.42 C ATOM 0 H THR A 49 -45.713 -18.909 -5.428 1.00 34.05 H new ATOM 0 HA THR A 49 -47.160 -17.699 -3.160 1.00 43.12 H new ATOM 0 HB THR A 49 -49.013 -19.269 -3.831 1.00 1.42 H new ATOM 0 HG1 THR A 49 -48.856 -20.141 -6.000 1.00 32.13 H new ATOM 0 HG21 THR A 49 -49.760 -17.939 -5.771 1.00 62.42 H new ATOM 0 HG22 THR A 49 -49.064 -16.910 -4.497 1.00 62.42 H new ATOM 0 HG23 THR A 49 -48.113 -17.288 -5.953 1.00 62.42 H new ATOM 802 N GLY A 50 -46.167 -20.840 -3.570 1.00 12.01 N ATOM 803 CA GLY A 50 -45.766 -22.028 -2.839 1.00 14.11 C ATOM 804 C GLY A 50 -44.688 -21.741 -1.813 1.00 14.13 C ATOM 805 O GLY A 50 -44.750 -22.230 -0.685 1.00 1.55 O ATOM 0 H GLY A 50 -46.097 -20.917 -4.585 1.00 12.01 H new ATOM 0 HA2 GLY A 50 -46.636 -22.454 -2.338 1.00 14.11 H new ATOM 0 HA3 GLY A 50 -45.404 -22.778 -3.542 1.00 14.11 H new ATOM 809 N SER A 51 -43.697 -20.947 -2.205 1.00 24.54 N ATOM 810 CA SER A 51 -42.597 -20.601 -1.312 1.00 1.30 C ATOM 811 C SER A 51 -42.287 -19.109 -1.386 1.00 43.33 C ATOM 812 O SER A 51 -42.136 -18.547 -2.472 1.00 34.40 O ATOM 813 CB SER A 51 -41.349 -21.411 -1.667 1.00 43.13 C ATOM 814 OG SER A 51 -40.842 -21.036 -2.937 1.00 21.55 O ATOM 0 H SER A 51 -43.633 -20.531 -3.134 1.00 24.54 H new ATOM 0 HA SER A 51 -42.899 -20.842 -0.293 1.00 1.30 H new ATOM 0 HB2 SER A 51 -40.583 -21.258 -0.906 1.00 43.13 H new ATOM 0 HB3 SER A 51 -41.589 -22.474 -1.667 1.00 43.13 H new ATOM 0 HG SER A 51 -41.136 -20.126 -3.151 1.00 21.55 H new ATOM 820 N HIS A 52 -42.192 -18.472 -0.223 1.00 54.34 N ATOM 821 CA HIS A 52 -41.900 -17.044 -0.155 1.00 65.41 C ATOM 822 C HIS A 52 -40.653 -16.706 -0.968 1.00 32.04 C ATOM 823 O HIS A 52 -39.637 -17.396 -0.880 1.00 52.21 O ATOM 824 CB HIS A 52 -41.708 -16.610 1.298 1.00 33.55 C ATOM 825 CG HIS A 52 -40.571 -17.302 1.985 1.00 31.03 C ATOM 826 ND1 HIS A 52 -40.705 -18.516 2.626 1.00 10.53 N ATOM 827 CD2 HIS A 52 -39.273 -16.944 2.128 1.00 75.24 C ATOM 828 CE1 HIS A 52 -39.539 -18.873 3.135 1.00 74.43 C ATOM 829 NE2 HIS A 52 -38.654 -17.937 2.846 1.00 63.13 N ATOM 0 H HIS A 52 -42.313 -18.922 0.685 1.00 54.34 H new ATOM 0 HA HIS A 52 -42.747 -16.504 -0.579 1.00 65.41 H new ATOM 0 HB2 HIS A 52 -41.539 -15.534 1.328 1.00 33.55 H new ATOM 0 HB3 HIS A 52 -42.627 -16.803 1.851 1.00 33.55 H new ATOM 0 HD2 HIS A 52 -38.811 -16.045 1.748 1.00 75.24 H new ATOM 0 HE1 HIS A 52 -39.343 -19.777 3.693 1.00 74.43 H new ATOM 0 HE2 HIS A 52 -37.670 -17.950 3.113 1.00 63.13 H new ATOM 837 N ASP A 53 -40.739 -15.642 -1.758 1.00 11.55 N ATOM 838 CA ASP A 53 -39.618 -15.212 -2.586 1.00 13.54 C ATOM 839 C ASP A 53 -38.507 -14.613 -1.728 1.00 74.22 C ATOM 840 O ASP A 53 -38.771 -13.938 -0.733 1.00 12.32 O ATOM 841 CB ASP A 53 -40.086 -14.189 -3.623 1.00 24.31 C ATOM 842 CG ASP A 53 -39.040 -13.926 -4.688 1.00 63.24 C ATOM 843 OD1 ASP A 53 -38.835 -14.808 -5.548 1.00 44.03 O ATOM 844 OD2 ASP A 53 -38.426 -12.839 -4.662 1.00 4.11 O ATOM 0 H ASP A 53 -41.573 -15.061 -1.843 1.00 11.55 H new ATOM 0 HA ASP A 53 -39.222 -16.087 -3.102 1.00 13.54 H new ATOM 0 HB2 ASP A 53 -41.000 -14.547 -4.096 1.00 24.31 H new ATOM 0 HB3 ASP A 53 -40.333 -13.253 -3.121 1.00 24.31 H new ATOM 849 N THR A 54 -37.262 -14.867 -2.120 1.00 55.52 N ATOM 850 CA THR A 54 -36.111 -14.355 -1.387 1.00 73.41 C ATOM 851 C THR A 54 -35.621 -13.040 -1.982 1.00 24.35 C ATOM 852 O THR A 54 -35.895 -12.730 -3.141 1.00 63.21 O ATOM 853 CB THR A 54 -34.951 -15.369 -1.385 1.00 35.03 C ATOM 854 OG1 THR A 54 -33.829 -14.827 -0.680 1.00 63.13 O ATOM 855 CG2 THR A 54 -34.541 -15.725 -2.806 1.00 34.44 C ATOM 0 H THR A 54 -37.025 -15.424 -2.941 1.00 55.52 H new ATOM 0 HA THR A 54 -36.438 -14.186 -0.361 1.00 73.41 H new ATOM 0 HB THR A 54 -35.290 -16.276 -0.884 1.00 35.03 H new ATOM 0 HG1 THR A 54 -33.096 -15.478 -0.681 1.00 63.13 H new ATOM 0 HG21 THR A 54 -33.721 -16.442 -2.779 1.00 34.44 H new ATOM 0 HG22 THR A 54 -35.390 -16.164 -3.330 1.00 34.44 H new ATOM 0 HG23 THR A 54 -34.218 -14.824 -3.328 1.00 34.44 H new ATOM 863 N LYS A 55 -34.893 -12.269 -1.181 1.00 23.54 N ATOM 864 CA LYS A 55 -34.361 -10.987 -1.627 1.00 70.44 C ATOM 865 C LYS A 55 -33.020 -11.170 -2.330 1.00 44.13 C ATOM 866 O LYS A 55 -32.003 -11.430 -1.688 1.00 30.44 O ATOM 867 CB LYS A 55 -34.201 -10.036 -0.439 1.00 60.33 C ATOM 868 CG LYS A 55 -35.487 -9.329 -0.049 1.00 32.23 C ATOM 869 CD LYS A 55 -36.249 -10.104 1.013 1.00 33.21 C ATOM 870 CE LYS A 55 -35.744 -9.779 2.411 1.00 54.05 C ATOM 871 NZ LYS A 55 -36.419 -10.604 3.450 1.00 34.32 N ATOM 0 H LYS A 55 -34.658 -12.510 -0.218 1.00 23.54 H new ATOM 0 HA LYS A 55 -35.067 -10.556 -2.336 1.00 70.44 H new ATOM 0 HB2 LYS A 55 -33.831 -10.598 0.418 1.00 60.33 H new ATOM 0 HB3 LYS A 55 -33.445 -9.289 -0.681 1.00 60.33 H new ATOM 0 HG2 LYS A 55 -35.256 -8.331 0.323 1.00 32.23 H new ATOM 0 HG3 LYS A 55 -36.116 -9.203 -0.930 1.00 32.23 H new ATOM 0 HD2 LYS A 55 -37.311 -9.868 0.945 1.00 33.21 H new ATOM 0 HD3 LYS A 55 -36.147 -11.173 0.828 1.00 33.21 H new ATOM 0 HE2 LYS A 55 -34.668 -9.947 2.457 1.00 54.05 H new ATOM 0 HE3 LYS A 55 -35.911 -8.723 2.621 1.00 54.05 H new ATOM 0 HZ1 LYS A 55 -36.047 -10.353 4.388 1.00 34.32 H new ATOM 0 HZ2 LYS A 55 -37.443 -10.425 3.424 1.00 34.32 H new ATOM 0 HZ3 LYS A 55 -36.239 -11.611 3.265 1.00 34.32 H new ATOM 885 N GLN A 56 -33.025 -11.030 -3.652 1.00 74.10 N ATOM 886 CA GLN A 56 -31.808 -11.179 -4.441 1.00 31.02 C ATOM 887 C GLN A 56 -30.773 -10.130 -4.048 1.00 53.22 C ATOM 888 O GLN A 56 -31.113 -9.092 -3.481 1.00 32.03 O ATOM 889 CB GLN A 56 -32.125 -11.066 -5.933 1.00 31.50 C ATOM 890 CG GLN A 56 -32.738 -12.327 -6.521 1.00 52.15 C ATOM 891 CD GLN A 56 -33.656 -12.037 -7.693 1.00 31.42 C ATOM 892 OE1 GLN A 56 -33.251 -11.413 -8.674 1.00 15.12 O ATOM 893 NE2 GLN A 56 -34.900 -12.491 -7.596 1.00 74.14 N ATOM 0 H GLN A 56 -33.858 -10.814 -4.199 1.00 74.10 H new ATOM 0 HA GLN A 56 -31.393 -12.166 -4.239 1.00 31.02 H new ATOM 0 HB2 GLN A 56 -32.810 -10.232 -6.089 1.00 31.50 H new ATOM 0 HB3 GLN A 56 -31.208 -10.831 -6.474 1.00 31.50 H new ATOM 0 HG2 GLN A 56 -31.941 -12.997 -6.845 1.00 52.15 H new ATOM 0 HG3 GLN A 56 -33.298 -12.850 -5.746 1.00 52.15 H new ATOM 0 HE21 GLN A 56 -35.192 -13.004 -6.764 1.00 74.14 H new ATOM 0 HE22 GLN A 56 -35.563 -12.327 -8.353 1.00 74.14 H new ATOM 902 N GLN A 57 -29.510 -10.408 -4.354 1.00 31.22 N ATOM 903 CA GLN A 57 -28.426 -9.488 -4.031 1.00 60.04 C ATOM 904 C GLN A 57 -27.662 -9.085 -5.288 1.00 61.13 C ATOM 905 O GLN A 57 -26.433 -9.006 -5.282 1.00 74.41 O ATOM 906 CB GLN A 57 -27.470 -10.126 -3.022 1.00 33.31 C ATOM 907 CG GLN A 57 -26.784 -11.379 -3.542 1.00 30.11 C ATOM 908 CD GLN A 57 -25.623 -11.814 -2.669 1.00 50.52 C ATOM 909 OE1 GLN A 57 -24.464 -11.523 -2.968 1.00 13.13 O ATOM 910 NE2 GLN A 57 -25.928 -12.514 -1.583 1.00 11.20 N ATOM 0 H GLN A 57 -29.212 -11.262 -4.825 1.00 31.22 H new ATOM 0 HA GLN A 57 -28.863 -8.592 -3.590 1.00 60.04 H new ATOM 0 HB2 GLN A 57 -26.711 -9.396 -2.742 1.00 33.31 H new ATOM 0 HB3 GLN A 57 -28.023 -10.374 -2.116 1.00 33.31 H new ATOM 0 HG2 GLN A 57 -27.512 -12.188 -3.602 1.00 30.11 H new ATOM 0 HG3 GLN A 57 -26.424 -11.198 -4.555 1.00 30.11 H new ATOM 0 HE21 GLN A 57 -26.902 -12.732 -1.374 1.00 11.20 H new ATOM 0 HE22 GLN A 57 -25.188 -12.833 -0.958 1.00 11.20 H new ATOM 919 N VAL A 58 -28.397 -8.831 -6.366 1.00 74.11 N ATOM 920 CA VAL A 58 -27.789 -8.435 -7.631 1.00 32.52 C ATOM 921 C VAL A 58 -26.937 -9.561 -8.207 1.00 35.12 C ATOM 922 O VAL A 58 -26.140 -9.345 -9.120 1.00 4.43 O ATOM 923 CB VAL A 58 -26.915 -7.179 -7.464 1.00 42.51 C ATOM 924 CG1 VAL A 58 -26.634 -6.540 -8.816 1.00 30.11 C ATOM 925 CG2 VAL A 58 -27.583 -6.186 -6.525 1.00 0.21 C ATOM 0 H VAL A 58 -29.415 -8.892 -6.389 1.00 74.11 H new ATOM 0 HA VAL A 58 -28.605 -8.212 -8.319 1.00 32.52 H new ATOM 0 HB VAL A 58 -25.963 -7.476 -7.024 1.00 42.51 H new ATOM 0 HG11 VAL A 58 -26.015 -5.654 -8.678 1.00 30.11 H new ATOM 0 HG12 VAL A 58 -26.110 -7.253 -9.453 1.00 30.11 H new ATOM 0 HG13 VAL A 58 -27.575 -6.255 -9.287 1.00 30.11 H new ATOM 0 HG21 VAL A 58 -26.951 -5.304 -6.419 1.00 0.21 H new ATOM 0 HG22 VAL A 58 -28.550 -5.892 -6.934 1.00 0.21 H new ATOM 0 HG23 VAL A 58 -27.727 -6.649 -5.549 1.00 0.21 H new ATOM 935 N CYS A 59 -27.113 -10.763 -7.668 1.00 45.44 N ATOM 936 CA CYS A 59 -26.359 -11.924 -8.129 1.00 13.12 C ATOM 937 C CYS A 59 -27.032 -12.563 -9.339 1.00 42.04 C ATOM 938 O CYS A 59 -28.259 -12.624 -9.421 1.00 53.01 O ATOM 939 CB CYS A 59 -26.226 -12.950 -7.003 1.00 72.50 C ATOM 940 SG CYS A 59 -24.927 -14.178 -7.274 1.00 22.35 S ATOM 0 H CYS A 59 -27.770 -10.959 -6.913 1.00 45.44 H new ATOM 0 HA CYS A 59 -25.365 -11.588 -8.424 1.00 13.12 H new ATOM 0 HB2 CYS A 59 -26.026 -12.425 -6.069 1.00 72.50 H new ATOM 0 HB3 CYS A 59 -27.179 -13.465 -6.881 1.00 72.50 H new ATOM 0 HG CYS A 59 -24.367 -13.969 -8.428 1.00 22.35 H new ATOM 946 N LEU A 60 -26.220 -13.037 -10.279 1.00 14.35 N ATOM 947 CA LEU A 60 -26.736 -13.670 -11.487 1.00 75.20 C ATOM 948 C LEU A 60 -26.507 -15.178 -11.452 1.00 13.22 C ATOM 949 O LEU A 60 -25.591 -15.661 -10.787 1.00 62.13 O ATOM 950 CB LEU A 60 -26.069 -13.070 -12.726 1.00 32.32 C ATOM 951 CG LEU A 60 -26.871 -12.002 -13.469 1.00 54.51 C ATOM 952 CD1 LEU A 60 -26.029 -11.369 -14.566 1.00 55.03 C ATOM 953 CD2 LEU A 60 -28.146 -12.598 -14.049 1.00 65.20 C ATOM 0 H LEU A 60 -25.202 -12.995 -10.227 1.00 14.35 H new ATOM 0 HA LEU A 60 -27.809 -13.485 -11.534 1.00 75.20 H new ATOM 0 HB2 LEU A 60 -25.115 -12.636 -12.426 1.00 32.32 H new ATOM 0 HB3 LEU A 60 -25.847 -13.879 -13.422 1.00 32.32 H new ATOM 0 HG LEU A 60 -27.149 -11.224 -12.758 1.00 54.51 H new ATOM 0 HD11 LEU A 60 -26.617 -10.611 -15.084 1.00 55.03 H new ATOM 0 HD12 LEU A 60 -25.146 -10.905 -14.125 1.00 55.03 H new ATOM 0 HD13 LEU A 60 -25.720 -12.136 -15.276 1.00 55.03 H new ATOM 0 HD21 LEU A 60 -28.704 -11.823 -14.574 1.00 65.20 H new ATOM 0 HD22 LEU A 60 -27.890 -13.396 -14.746 1.00 65.20 H new ATOM 0 HD23 LEU A 60 -28.758 -13.002 -13.243 1.00 65.20 H new ATOM 965 N SER A 61 -27.345 -15.916 -12.173 1.00 52.43 N ATOM 966 CA SER A 61 -27.235 -17.369 -12.223 1.00 51.25 C ATOM 967 C SER A 61 -27.224 -17.863 -13.667 1.00 34.23 C ATOM 968 O SER A 61 -28.181 -17.655 -14.414 1.00 21.35 O ATOM 969 CB SER A 61 -28.392 -18.016 -11.459 1.00 40.34 C ATOM 970 OG SER A 61 -28.790 -17.213 -10.362 1.00 13.14 O ATOM 0 H SER A 61 -28.108 -15.531 -12.731 1.00 52.43 H new ATOM 0 HA SER A 61 -26.294 -17.654 -11.752 1.00 51.25 H new ATOM 0 HB2 SER A 61 -29.238 -18.165 -12.131 1.00 40.34 H new ATOM 0 HB3 SER A 61 -28.091 -19.001 -11.103 1.00 40.34 H new ATOM 0 HG SER A 61 -29.685 -16.850 -10.530 1.00 13.14 H new ATOM 976 N PHE A 62 -26.135 -18.519 -14.053 1.00 30.23 N ATOM 977 CA PHE A 62 -25.998 -19.043 -15.407 1.00 24.24 C ATOM 978 C PHE A 62 -26.018 -20.569 -15.404 1.00 12.10 C ATOM 979 O PHE A 62 -25.846 -21.203 -14.362 1.00 52.50 O ATOM 980 CB PHE A 62 -24.699 -18.541 -16.041 1.00 53.54 C ATOM 981 CG PHE A 62 -24.728 -17.080 -16.389 1.00 13.42 C ATOM 982 CD1 PHE A 62 -25.259 -16.651 -17.595 1.00 24.10 C ATOM 983 CD2 PHE A 62 -24.225 -16.135 -15.509 1.00 43.32 C ATOM 984 CE1 PHE A 62 -25.287 -15.307 -17.918 1.00 31.34 C ATOM 985 CE2 PHE A 62 -24.251 -14.790 -15.826 1.00 41.22 C ATOM 986 CZ PHE A 62 -24.782 -14.376 -17.032 1.00 44.43 C ATOM 0 H PHE A 62 -25.334 -18.701 -13.448 1.00 30.23 H new ATOM 0 HA PHE A 62 -26.844 -18.687 -15.995 1.00 24.24 H new ATOM 0 HB2 PHE A 62 -23.873 -18.726 -15.354 1.00 53.54 H new ATOM 0 HB3 PHE A 62 -24.498 -19.118 -16.944 1.00 53.54 H new ATOM 0 HD1 PHE A 62 -25.656 -17.375 -18.291 1.00 24.10 H new ATOM 0 HD2 PHE A 62 -23.808 -16.453 -14.565 1.00 43.32 H new ATOM 0 HE1 PHE A 62 -25.703 -14.986 -18.861 1.00 31.34 H new ATOM 0 HE2 PHE A 62 -23.856 -14.063 -15.131 1.00 41.22 H new ATOM 0 HZ PHE A 62 -24.802 -13.325 -17.282 1.00 44.43 H new ATOM 996 N THR A 63 -26.231 -21.154 -16.579 1.00 22.03 N ATOM 997 CA THR A 63 -26.276 -22.605 -16.713 1.00 51.50 C ATOM 998 C THR A 63 -24.957 -23.148 -17.249 1.00 61.53 C ATOM 999 O THR A 63 -24.440 -24.152 -16.757 1.00 13.05 O ATOM 1000 CB THR A 63 -27.418 -23.047 -17.647 1.00 53.21 C ATOM 1001 OG1 THR A 63 -28.611 -22.315 -17.343 1.00 31.44 O ATOM 1002 CG2 THR A 63 -27.683 -24.539 -17.509 1.00 41.54 C ATOM 0 H THR A 63 -26.375 -20.645 -17.451 1.00 22.03 H new ATOM 0 HA THR A 63 -26.454 -23.010 -15.717 1.00 51.50 H new ATOM 0 HB THR A 63 -27.118 -22.841 -18.674 1.00 53.21 H new ATOM 0 HG1 THR A 63 -29.332 -22.601 -17.942 1.00 31.44 H new ATOM 0 HG21 THR A 63 -28.493 -24.828 -18.178 1.00 41.54 H new ATOM 0 HG22 THR A 63 -26.782 -25.094 -17.770 1.00 41.54 H new ATOM 0 HG23 THR A 63 -27.964 -24.765 -16.480 1.00 41.54 H new ATOM 1010 N THR A 64 -24.414 -22.480 -18.262 1.00 53.13 N ATOM 1011 CA THR A 64 -23.155 -22.897 -18.866 1.00 1.41 C ATOM 1012 C THR A 64 -22.097 -21.807 -18.739 1.00 0.52 C ATOM 1013 O THR A 64 -22.391 -20.622 -18.899 1.00 44.22 O ATOM 1014 CB THR A 64 -23.335 -23.250 -20.354 1.00 72.13 C ATOM 1015 OG1 THR A 64 -24.419 -22.497 -20.909 1.00 15.11 O ATOM 1016 CG2 THR A 64 -23.603 -24.737 -20.529 1.00 21.54 C ATOM 0 H THR A 64 -24.827 -21.647 -18.682 1.00 53.13 H new ATOM 0 HA THR A 64 -22.825 -23.785 -18.327 1.00 1.41 H new ATOM 0 HB THR A 64 -22.413 -22.999 -20.878 1.00 72.13 H new ATOM 0 HG1 THR A 64 -24.526 -22.726 -21.856 1.00 15.11 H new ATOM 0 HG21 THR A 64 -23.727 -24.962 -21.588 1.00 21.54 H new ATOM 0 HG22 THR A 64 -22.763 -25.307 -20.132 1.00 21.54 H new ATOM 0 HG23 THR A 64 -24.512 -25.009 -19.992 1.00 21.54 H new ATOM 1024 N ARG A 65 -20.865 -22.214 -18.450 1.00 74.55 N ATOM 1025 CA ARG A 65 -19.764 -21.271 -18.301 1.00 65.55 C ATOM 1026 C ARG A 65 -19.678 -20.340 -19.507 1.00 73.01 C ATOM 1027 O ARG A 65 -19.390 -19.152 -19.366 1.00 23.21 O ATOM 1028 CB ARG A 65 -18.442 -22.022 -18.129 1.00 23.00 C ATOM 1029 CG ARG A 65 -18.272 -23.185 -19.092 1.00 64.25 C ATOM 1030 CD ARG A 65 -16.935 -23.119 -19.815 1.00 72.11 C ATOM 1031 NE ARG A 65 -16.376 -24.447 -20.054 1.00 51.15 N ATOM 1032 CZ ARG A 65 -15.088 -24.670 -20.292 1.00 74.14 C ATOM 1033 NH1 ARG A 65 -14.231 -23.659 -20.322 1.00 54.12 N ATOM 1034 NH2 ARG A 65 -14.656 -25.907 -20.501 1.00 23.03 N ATOM 0 H ARG A 65 -20.605 -23.191 -18.314 1.00 74.55 H new ATOM 0 HA ARG A 65 -19.952 -20.669 -17.412 1.00 65.55 H new ATOM 0 HB2 ARG A 65 -17.617 -21.324 -18.267 1.00 23.00 H new ATOM 0 HB3 ARG A 65 -18.376 -22.395 -17.107 1.00 23.00 H new ATOM 0 HG2 ARG A 65 -18.345 -24.125 -18.545 1.00 64.25 H new ATOM 0 HG3 ARG A 65 -19.082 -23.176 -19.821 1.00 64.25 H new ATOM 0 HD2 ARG A 65 -17.063 -22.603 -20.766 1.00 72.11 H new ATOM 0 HD3 ARG A 65 -16.232 -22.531 -19.225 1.00 72.11 H new ATOM 0 HE ARG A 65 -17.009 -25.247 -20.037 1.00 51.15 H new ATOM 0 HH11 ARG A 65 -14.560 -22.707 -20.162 1.00 54.12 H new ATOM 0 HH12 ARG A 65 -13.243 -23.833 -20.505 1.00 54.12 H new ATOM 0 HH21 ARG A 65 -15.313 -26.687 -20.479 1.00 23.03 H new ATOM 0 HH22 ARG A 65 -13.667 -26.078 -20.684 1.00 23.03 H new ATOM 1048 N GLU A 66 -19.931 -20.889 -20.691 1.00 50.54 N ATOM 1049 CA GLU A 66 -19.881 -20.106 -21.921 1.00 32.30 C ATOM 1050 C GLU A 66 -20.749 -18.857 -21.806 1.00 54.44 C ATOM 1051 O GLU A 66 -20.441 -17.817 -22.391 1.00 14.02 O ATOM 1052 CB GLU A 66 -20.341 -20.953 -23.109 1.00 74.14 C ATOM 1053 CG GLU A 66 -19.274 -21.900 -23.632 1.00 1.31 C ATOM 1054 CD GLU A 66 -19.777 -22.783 -24.757 1.00 35.11 C ATOM 1055 OE1 GLU A 66 -20.478 -23.774 -24.465 1.00 73.52 O ATOM 1056 OE2 GLU A 66 -19.470 -22.482 -25.929 1.00 74.15 O ATOM 0 H GLU A 66 -20.172 -21.871 -20.825 1.00 50.54 H new ATOM 0 HA GLU A 66 -18.849 -19.796 -22.083 1.00 32.30 H new ATOM 0 HB2 GLU A 66 -21.216 -21.532 -22.814 1.00 74.14 H new ATOM 0 HB3 GLU A 66 -20.654 -20.291 -23.916 1.00 74.14 H new ATOM 0 HG2 GLU A 66 -18.421 -21.321 -23.984 1.00 1.31 H new ATOM 0 HG3 GLU A 66 -18.918 -22.527 -22.815 1.00 1.31 H new ATOM 1063 N LEU A 67 -21.836 -18.966 -21.050 1.00 50.11 N ATOM 1064 CA LEU A 67 -22.750 -17.846 -20.858 1.00 55.42 C ATOM 1065 C LEU A 67 -22.210 -16.875 -19.813 1.00 15.30 C ATOM 1066 O LEU A 67 -22.360 -15.660 -19.944 1.00 23.21 O ATOM 1067 CB LEU A 67 -24.129 -18.354 -20.434 1.00 75.12 C ATOM 1068 CG LEU A 67 -25.329 -17.648 -21.067 1.00 70.12 C ATOM 1069 CD1 LEU A 67 -25.275 -17.759 -22.583 1.00 4.40 C ATOM 1070 CD2 LEU A 67 -26.631 -18.228 -20.535 1.00 32.13 C ATOM 0 H LEU A 67 -22.106 -19.819 -20.560 1.00 50.11 H new ATOM 0 HA LEU A 67 -22.840 -17.317 -21.807 1.00 55.42 H new ATOM 0 HB2 LEU A 67 -24.191 -19.416 -20.671 1.00 75.12 H new ATOM 0 HB3 LEU A 67 -24.210 -18.264 -19.351 1.00 75.12 H new ATOM 0 HG LEU A 67 -25.288 -16.592 -20.798 1.00 70.12 H new ATOM 0 HD11 LEU A 67 -26.137 -17.251 -23.016 1.00 4.40 H new ATOM 0 HD12 LEU A 67 -24.359 -17.296 -22.949 1.00 4.40 H new ATOM 0 HD13 LEU A 67 -25.291 -18.810 -22.872 1.00 4.40 H new ATOM 0 HD21 LEU A 67 -27.474 -17.713 -20.996 1.00 32.13 H new ATOM 0 HD22 LEU A 67 -26.680 -19.291 -20.773 1.00 32.13 H new ATOM 0 HD23 LEU A 67 -26.673 -18.096 -19.454 1.00 32.13 H new ATOM 1082 N ALA A 68 -21.581 -17.419 -18.777 1.00 3.21 N ATOM 1083 CA ALA A 68 -21.015 -16.601 -17.712 1.00 5.24 C ATOM 1084 C ALA A 68 -19.861 -15.748 -18.228 1.00 65.43 C ATOM 1085 O ALA A 68 -19.957 -14.522 -18.279 1.00 2.23 O ATOM 1086 CB ALA A 68 -20.549 -17.481 -16.561 1.00 12.10 C ATOM 0 H ALA A 68 -21.450 -18.423 -18.653 1.00 3.21 H new ATOM 0 HA ALA A 68 -21.795 -15.930 -17.350 1.00 5.24 H new ATOM 0 HB1 ALA A 68 -20.128 -16.857 -15.773 1.00 12.10 H new ATOM 0 HB2 ALA A 68 -21.396 -18.042 -16.166 1.00 12.10 H new ATOM 0 HB3 ALA A 68 -19.788 -18.175 -16.919 1.00 12.10 H new ATOM 1092 N ILE A 69 -18.771 -16.405 -18.610 1.00 64.42 N ATOM 1093 CA ILE A 69 -17.599 -15.707 -19.123 1.00 43.23 C ATOM 1094 C ILE A 69 -17.978 -14.748 -20.247 1.00 32.21 C ATOM 1095 O ILE A 69 -17.385 -13.680 -20.392 1.00 63.12 O ATOM 1096 CB ILE A 69 -16.537 -16.694 -19.643 1.00 32.41 C ATOM 1097 CG1 ILE A 69 -16.012 -17.562 -18.497 1.00 40.11 C ATOM 1098 CG2 ILE A 69 -15.396 -15.942 -20.311 1.00 71.32 C ATOM 1099 CD1 ILE A 69 -16.669 -18.922 -18.419 1.00 64.32 C ATOM 0 H ILE A 69 -18.675 -17.420 -18.574 1.00 64.42 H new ATOM 0 HA ILE A 69 -17.181 -15.141 -18.291 1.00 43.23 H new ATOM 0 HB ILE A 69 -17.000 -17.345 -20.385 1.00 32.41 H new ATOM 0 HG12 ILE A 69 -14.936 -17.693 -18.615 1.00 40.11 H new ATOM 0 HG13 ILE A 69 -16.168 -17.038 -17.554 1.00 40.11 H new ATOM 0 HG21 ILE A 69 -14.654 -16.654 -20.673 1.00 71.32 H new ATOM 0 HG22 ILE A 69 -15.783 -15.363 -21.150 1.00 71.32 H new ATOM 0 HG23 ILE A 69 -14.932 -15.269 -19.590 1.00 71.32 H new ATOM 0 HD11 ILE A 69 -16.248 -19.482 -17.584 1.00 64.32 H new ATOM 0 HD12 ILE A 69 -17.742 -18.800 -18.270 1.00 64.32 H new ATOM 0 HD13 ILE A 69 -16.491 -19.466 -19.347 1.00 64.32 H new ATOM 1111 N ALA A 70 -18.972 -15.137 -21.038 1.00 75.14 N ATOM 1112 CA ALA A 70 -19.434 -14.311 -22.147 1.00 14.33 C ATOM 1113 C ALA A 70 -19.793 -12.907 -21.672 1.00 50.43 C ATOM 1114 O ALA A 70 -19.564 -11.925 -22.379 1.00 1.30 O ATOM 1115 CB ALA A 70 -20.629 -14.961 -22.828 1.00 34.23 C ATOM 0 H ALA A 70 -19.473 -16.019 -20.932 1.00 75.14 H new ATOM 0 HA ALA A 70 -18.621 -14.226 -22.868 1.00 14.33 H new ATOM 0 HB1 ALA A 70 -20.963 -14.333 -23.654 1.00 34.23 H new ATOM 0 HB2 ALA A 70 -20.342 -15.941 -23.210 1.00 34.23 H new ATOM 0 HB3 ALA A 70 -21.440 -15.076 -22.109 1.00 34.23 H new ATOM 1121 N TYR A 71 -20.357 -12.819 -20.473 1.00 0.41 N ATOM 1122 CA TYR A 71 -20.750 -11.534 -19.906 1.00 33.33 C ATOM 1123 C TYR A 71 -19.533 -10.642 -19.681 1.00 32.44 C ATOM 1124 O TYR A 71 -19.480 -9.512 -20.165 1.00 64.52 O ATOM 1125 CB TYR A 71 -21.495 -11.743 -18.586 1.00 1.41 C ATOM 1126 CG TYR A 71 -22.943 -11.312 -18.633 1.00 55.23 C ATOM 1127 CD1 TYR A 71 -23.762 -11.675 -19.696 1.00 31.34 C ATOM 1128 CD2 TYR A 71 -23.493 -10.541 -17.617 1.00 13.41 C ATOM 1129 CE1 TYR A 71 -25.086 -11.284 -19.744 1.00 11.52 C ATOM 1130 CE2 TYR A 71 -24.816 -10.146 -17.656 1.00 14.51 C ATOM 1131 CZ TYR A 71 -25.609 -10.519 -18.721 1.00 64.24 C ATOM 1132 OH TYR A 71 -26.927 -10.126 -18.765 1.00 23.53 O ATOM 0 H TYR A 71 -20.552 -13.622 -19.875 1.00 0.41 H new ATOM 0 HA TYR A 71 -21.413 -11.039 -20.616 1.00 33.33 H new ATOM 0 HB2 TYR A 71 -21.447 -12.798 -18.315 1.00 1.41 H new ATOM 0 HB3 TYR A 71 -20.985 -11.188 -17.799 1.00 1.41 H new ATOM 0 HD1 TYR A 71 -23.356 -12.273 -20.498 1.00 31.34 H new ATOM 0 HD2 TYR A 71 -22.875 -10.245 -16.782 1.00 13.41 H new ATOM 0 HE1 TYR A 71 -25.708 -11.575 -20.577 1.00 11.52 H new ATOM 0 HE2 TYR A 71 -25.228 -9.548 -16.856 1.00 14.51 H new ATOM 0 HH TYR A 71 -27.137 -9.595 -17.969 1.00 23.53 H new ATOM 1142 N ALA A 72 -18.557 -11.160 -18.942 1.00 11.00 N ATOM 1143 CA ALA A 72 -17.339 -10.413 -18.654 1.00 61.10 C ATOM 1144 C ALA A 72 -16.606 -10.042 -19.939 1.00 22.23 C ATOM 1145 O ALA A 72 -16.294 -8.874 -20.173 1.00 30.55 O ATOM 1146 CB ALA A 72 -16.429 -11.220 -17.739 1.00 13.40 C ATOM 0 H ALA A 72 -18.586 -12.094 -18.532 1.00 11.00 H new ATOM 0 HA ALA A 72 -17.619 -9.490 -18.147 1.00 61.10 H new ATOM 0 HB1 ALA A 72 -15.523 -10.650 -17.532 1.00 13.40 H new ATOM 0 HB2 ALA A 72 -16.947 -11.430 -16.803 1.00 13.40 H new ATOM 0 HB3 ALA A 72 -16.164 -12.159 -18.225 1.00 13.40 H new ATOM 1152 N VAL A 73 -16.332 -11.044 -20.769 1.00 13.21 N ATOM 1153 CA VAL A 73 -15.636 -10.823 -22.031 1.00 2.55 C ATOM 1154 C VAL A 73 -16.303 -9.716 -22.840 1.00 32.40 C ATOM 1155 O VAL A 73 -15.643 -8.998 -23.591 1.00 35.42 O ATOM 1156 CB VAL A 73 -15.589 -12.107 -22.879 1.00 30.44 C ATOM 1157 CG1 VAL A 73 -14.893 -11.846 -24.206 1.00 22.44 C ATOM 1158 CG2 VAL A 73 -14.896 -13.225 -22.114 1.00 43.11 C ATOM 0 H VAL A 73 -16.582 -12.017 -20.590 1.00 13.21 H new ATOM 0 HA VAL A 73 -14.618 -10.524 -21.782 1.00 2.55 H new ATOM 0 HB VAL A 73 -16.612 -12.421 -23.089 1.00 30.44 H new ATOM 0 HG11 VAL A 73 -14.869 -12.765 -24.791 1.00 22.44 H new ATOM 0 HG12 VAL A 73 -15.436 -11.079 -24.757 1.00 22.44 H new ATOM 0 HG13 VAL A 73 -13.874 -11.507 -24.022 1.00 22.44 H new ATOM 0 HG21 VAL A 73 -14.872 -14.125 -22.728 1.00 43.11 H new ATOM 0 HG22 VAL A 73 -13.877 -12.923 -21.872 1.00 43.11 H new ATOM 0 HG23 VAL A 73 -15.442 -13.429 -21.193 1.00 43.11 H new ATOM 1168 N ALA A 74 -17.616 -9.584 -22.681 1.00 71.55 N ATOM 1169 CA ALA A 74 -18.373 -8.564 -23.396 1.00 10.14 C ATOM 1170 C ALA A 74 -17.747 -7.186 -23.210 1.00 12.20 C ATOM 1171 O ALA A 74 -17.774 -6.353 -24.117 1.00 70.31 O ATOM 1172 CB ALA A 74 -19.821 -8.556 -22.927 1.00 4.20 C ATOM 0 H ALA A 74 -18.177 -10.171 -22.063 1.00 71.55 H new ATOM 0 HA ALA A 74 -18.348 -8.805 -24.459 1.00 10.14 H new ATOM 0 HB1 ALA A 74 -20.375 -7.790 -23.469 1.00 4.20 H new ATOM 0 HB2 ALA A 74 -20.270 -9.531 -23.117 1.00 4.20 H new ATOM 0 HB3 ALA A 74 -19.856 -8.342 -21.859 1.00 4.20 H new ATOM 1178 N HIS A 75 -17.185 -6.951 -22.029 1.00 3.43 N ATOM 1179 CA HIS A 75 -16.552 -5.672 -21.724 1.00 62.13 C ATOM 1180 C HIS A 75 -15.124 -5.877 -21.227 1.00 32.40 C ATOM 1181 O HIS A 75 -14.577 -5.037 -20.512 1.00 73.04 O ATOM 1182 CB HIS A 75 -17.365 -4.913 -20.676 1.00 35.24 C ATOM 1183 CG HIS A 75 -18.514 -4.142 -21.251 1.00 24.51 C ATOM 1184 ND1 HIS A 75 -18.448 -3.487 -22.462 1.00 75.35 N ATOM 1185 CD2 HIS A 75 -19.762 -3.926 -20.774 1.00 42.33 C ATOM 1186 CE1 HIS A 75 -19.606 -2.899 -22.705 1.00 73.44 C ATOM 1187 NE2 HIS A 75 -20.421 -3.151 -21.696 1.00 41.54 N ATOM 0 H HIS A 75 -17.155 -7.629 -21.267 1.00 3.43 H new ATOM 0 HA HIS A 75 -16.518 -5.084 -22.641 1.00 62.13 H new ATOM 0 HB2 HIS A 75 -17.746 -5.622 -19.940 1.00 35.24 H new ATOM 0 HB3 HIS A 75 -16.706 -4.226 -20.145 1.00 35.24 H new ATOM 0 HD2 HIS A 75 -20.164 -4.295 -19.842 1.00 42.33 H new ATOM 0 HE1 HIS A 75 -19.846 -2.312 -23.579 1.00 73.44 H new ATOM 0 HE2 HIS A 75 -21.383 -2.823 -21.615 1.00 41.54 H new ATOM 1195 N LYS A 76 -14.526 -7.000 -21.609 1.00 25.52 N ATOM 1196 CA LYS A 76 -13.161 -7.317 -21.203 1.00 34.21 C ATOM 1197 C LYS A 76 -13.003 -7.200 -19.690 1.00 43.13 C ATOM 1198 O LYS A 76 -11.986 -6.708 -19.200 1.00 40.10 O ATOM 1199 CB LYS A 76 -12.170 -6.386 -21.904 1.00 64.31 C ATOM 1200 CG LYS A 76 -10.775 -6.973 -22.038 1.00 1.14 C ATOM 1201 CD LYS A 76 -10.038 -6.393 -23.233 1.00 40.40 C ATOM 1202 CE LYS A 76 -10.645 -6.866 -24.545 1.00 43.21 C ATOM 1203 NZ LYS A 76 -9.629 -6.936 -25.632 1.00 73.41 N ATOM 0 H LYS A 76 -14.965 -7.707 -22.199 1.00 25.52 H new ATOM 0 HA LYS A 76 -12.951 -8.346 -21.494 1.00 34.21 H new ATOM 0 HB2 LYS A 76 -12.551 -6.145 -22.897 1.00 64.31 H new ATOM 0 HB3 LYS A 76 -12.109 -5.450 -21.350 1.00 64.31 H new ATOM 0 HG2 LYS A 76 -10.207 -6.776 -21.129 1.00 1.14 H new ATOM 0 HG3 LYS A 76 -10.843 -8.056 -22.142 1.00 1.14 H new ATOM 0 HD2 LYS A 76 -10.069 -5.304 -23.188 1.00 40.40 H new ATOM 0 HD3 LYS A 76 -8.988 -6.684 -23.191 1.00 40.40 H new ATOM 0 HE2 LYS A 76 -11.094 -7.849 -24.404 1.00 43.21 H new ATOM 0 HE3 LYS A 76 -11.446 -6.188 -24.840 1.00 43.21 H new ATOM 0 HZ1 LYS A 76 -10.082 -7.262 -26.510 1.00 73.41 H new ATOM 0 HZ2 LYS A 76 -9.218 -5.993 -25.784 1.00 73.41 H new ATOM 0 HZ3 LYS A 76 -8.877 -7.602 -25.362 1.00 73.41 H new ATOM 1217 N ILE A 77 -14.013 -7.656 -18.957 1.00 3.30 N ATOM 1218 CA ILE A 77 -13.983 -7.604 -17.501 1.00 0.24 C ATOM 1219 C ILE A 77 -13.218 -8.790 -16.924 1.00 34.43 C ATOM 1220 O ILE A 77 -13.327 -9.912 -17.419 1.00 63.15 O ATOM 1221 CB ILE A 77 -15.405 -7.587 -16.909 1.00 3.32 C ATOM 1222 CG1 ILE A 77 -16.197 -6.400 -17.462 1.00 24.04 C ATOM 1223 CG2 ILE A 77 -15.345 -7.529 -15.390 1.00 34.44 C ATOM 1224 CD1 ILE A 77 -17.685 -6.496 -17.209 1.00 21.33 C ATOM 0 H ILE A 77 -14.862 -8.065 -19.347 1.00 3.30 H new ATOM 0 HA ILE A 77 -13.474 -6.680 -17.229 1.00 0.24 H new ATOM 0 HB ILE A 77 -15.915 -8.506 -17.198 1.00 3.32 H new ATOM 0 HG12 ILE A 77 -15.819 -5.481 -17.014 1.00 24.04 H new ATOM 0 HG13 ILE A 77 -16.023 -6.326 -18.536 1.00 24.04 H new ATOM 0 HG21 ILE A 77 -16.357 -7.518 -14.986 1.00 34.44 H new ATOM 0 HG22 ILE A 77 -14.814 -8.403 -15.013 1.00 34.44 H new ATOM 0 HG23 ILE A 77 -14.821 -6.625 -15.081 1.00 34.44 H new ATOM 0 HD11 ILE A 77 -18.182 -5.621 -17.628 1.00 21.33 H new ATOM 0 HD12 ILE A 77 -18.077 -7.397 -17.681 1.00 21.33 H new ATOM 0 HD13 ILE A 77 -17.870 -6.539 -16.136 1.00 21.33 H new ATOM 1236 N ASP A 78 -12.447 -8.535 -15.873 1.00 30.43 N ATOM 1237 CA ASP A 78 -11.666 -9.583 -15.225 1.00 71.14 C ATOM 1238 C ASP A 78 -12.572 -10.542 -14.459 1.00 53.41 C ATOM 1239 O ASP A 78 -13.047 -10.225 -13.368 1.00 2.20 O ATOM 1240 CB ASP A 78 -10.635 -8.968 -14.277 1.00 73.43 C ATOM 1241 CG ASP A 78 -9.961 -7.746 -14.869 1.00 15.24 C ATOM 1242 OD1 ASP A 78 -8.965 -7.914 -15.602 1.00 42.15 O ATOM 1243 OD2 ASP A 78 -10.431 -6.621 -14.598 1.00 72.02 O ATOM 0 H ASP A 78 -12.346 -7.612 -15.451 1.00 30.43 H new ATOM 0 HA ASP A 78 -11.145 -10.145 -16.000 1.00 71.14 H new ATOM 0 HB2 ASP A 78 -11.124 -8.693 -13.342 1.00 73.43 H new ATOM 0 HB3 ASP A 78 -9.879 -9.714 -14.034 1.00 73.43 H new ATOM 1248 N TYR A 79 -12.809 -11.713 -15.038 1.00 32.52 N ATOM 1249 CA TYR A 79 -13.662 -12.717 -14.411 1.00 44.12 C ATOM 1250 C TYR A 79 -12.824 -13.796 -13.733 1.00 22.35 C ATOM 1251 O TYR A 79 -11.852 -14.296 -14.301 1.00 53.54 O ATOM 1252 CB TYR A 79 -14.586 -13.352 -15.451 1.00 14.00 C ATOM 1253 CG TYR A 79 -13.850 -14.074 -16.556 1.00 65.31 C ATOM 1254 CD1 TYR A 79 -13.435 -13.399 -17.698 1.00 21.32 C ATOM 1255 CD2 TYR A 79 -13.569 -15.432 -16.459 1.00 43.54 C ATOM 1256 CE1 TYR A 79 -12.762 -14.055 -18.710 1.00 61.15 C ATOM 1257 CE2 TYR A 79 -12.895 -16.095 -17.466 1.00 70.14 C ATOM 1258 CZ TYR A 79 -12.494 -15.403 -18.590 1.00 1.31 C ATOM 1259 OH TYR A 79 -11.824 -16.060 -19.596 1.00 22.51 O ATOM 0 H TYR A 79 -12.423 -11.991 -15.940 1.00 32.52 H new ATOM 0 HA TYR A 79 -14.267 -12.221 -13.652 1.00 44.12 H new ATOM 0 HB2 TYR A 79 -15.253 -14.054 -14.951 1.00 14.00 H new ATOM 0 HB3 TYR A 79 -15.212 -12.576 -15.890 1.00 14.00 H new ATOM 0 HD1 TYR A 79 -13.642 -12.344 -17.796 1.00 21.32 H new ATOM 0 HD2 TYR A 79 -13.883 -15.978 -15.582 1.00 43.54 H new ATOM 0 HE1 TYR A 79 -12.447 -13.515 -19.591 1.00 61.15 H new ATOM 0 HE2 TYR A 79 -12.683 -17.150 -17.374 1.00 70.14 H new ATOM 0 HH TYR A 79 -11.715 -17.004 -19.355 1.00 22.51 H new ATOM 1269 N THR A 80 -13.208 -14.153 -12.511 1.00 23.33 N ATOM 1270 CA THR A 80 -12.494 -15.173 -11.752 1.00 45.45 C ATOM 1271 C THR A 80 -13.327 -16.442 -11.617 1.00 42.12 C ATOM 1272 O THR A 80 -14.528 -16.383 -11.353 1.00 62.15 O ATOM 1273 CB THR A 80 -12.117 -14.667 -10.347 1.00 14.20 C ATOM 1274 OG1 THR A 80 -11.485 -15.714 -9.602 1.00 53.14 O ATOM 1275 CG2 THR A 80 -13.349 -14.179 -9.600 1.00 14.21 C ATOM 0 H THR A 80 -14.010 -13.751 -12.026 1.00 23.33 H new ATOM 0 HA THR A 80 -11.582 -15.398 -12.305 1.00 45.45 H new ATOM 0 HB THR A 80 -11.424 -13.833 -10.459 1.00 14.20 H new ATOM 0 HG1 THR A 80 -11.247 -15.383 -8.711 1.00 53.14 H new ATOM 0 HG21 THR A 80 -13.059 -13.826 -8.610 1.00 14.21 H new ATOM 0 HG22 THR A 80 -13.811 -13.363 -10.155 1.00 14.21 H new ATOM 0 HG23 THR A 80 -14.061 -14.998 -9.499 1.00 14.21 H new ATOM 1283 N VAL A 81 -12.682 -17.590 -11.799 1.00 3.03 N ATOM 1284 CA VAL A 81 -13.363 -18.875 -11.695 1.00 54.40 C ATOM 1285 C VAL A 81 -13.097 -19.531 -10.345 1.00 43.20 C ATOM 1286 O VAL A 81 -11.946 -19.768 -9.974 1.00 73.20 O ATOM 1287 CB VAL A 81 -12.924 -19.835 -12.816 1.00 72.21 C ATOM 1288 CG1 VAL A 81 -13.417 -19.340 -14.167 1.00 41.13 C ATOM 1289 CG2 VAL A 81 -11.412 -19.996 -12.817 1.00 45.01 C ATOM 0 H VAL A 81 -11.688 -17.656 -12.019 1.00 3.03 H new ATOM 0 HA VAL A 81 -14.430 -18.676 -11.794 1.00 54.40 H new ATOM 0 HB VAL A 81 -13.370 -20.812 -12.630 1.00 72.21 H new ATOM 0 HG11 VAL A 81 -13.097 -20.031 -14.947 1.00 41.13 H new ATOM 0 HG12 VAL A 81 -14.505 -19.282 -14.158 1.00 41.13 H new ATOM 0 HG13 VAL A 81 -13.002 -18.352 -14.366 1.00 41.13 H new ATOM 0 HG21 VAL A 81 -11.119 -20.678 -13.616 1.00 45.01 H new ATOM 0 HG22 VAL A 81 -10.943 -19.025 -12.978 1.00 45.01 H new ATOM 0 HG23 VAL A 81 -11.089 -20.400 -11.858 1.00 45.01 H new ATOM 1299 N LEU A 82 -14.167 -19.823 -9.614 1.00 4.53 N ATOM 1300 CA LEU A 82 -14.049 -20.453 -8.303 1.00 51.23 C ATOM 1301 C LEU A 82 -14.501 -21.909 -8.357 1.00 12.42 C ATOM 1302 O LEU A 82 -15.520 -22.229 -8.968 1.00 33.35 O ATOM 1303 CB LEU A 82 -14.878 -19.687 -7.271 1.00 13.10 C ATOM 1304 CG LEU A 82 -14.395 -18.276 -6.935 1.00 3.12 C ATOM 1305 CD1 LEU A 82 -15.487 -17.493 -6.222 1.00 45.02 C ATOM 1306 CD2 LEU A 82 -13.134 -18.333 -6.084 1.00 15.33 C ATOM 0 H LEU A 82 -15.126 -19.634 -9.906 1.00 4.53 H new ATOM 0 HA LEU A 82 -13.000 -20.428 -8.007 1.00 51.23 H new ATOM 0 HB2 LEU A 82 -15.903 -19.621 -7.635 1.00 13.10 H new ATOM 0 HB3 LEU A 82 -14.903 -20.270 -6.350 1.00 13.10 H new ATOM 0 HG LEU A 82 -14.158 -17.762 -7.867 1.00 3.12 H new ATOM 0 HD11 LEU A 82 -15.125 -16.491 -5.991 1.00 45.02 H new ATOM 0 HD12 LEU A 82 -16.364 -17.422 -6.866 1.00 45.02 H new ATOM 0 HD13 LEU A 82 -15.756 -18.004 -5.297 1.00 45.02 H new ATOM 0 HD21 LEU A 82 -12.804 -17.320 -5.854 1.00 15.33 H new ATOM 0 HD22 LEU A 82 -13.345 -18.865 -5.156 1.00 15.33 H new ATOM 0 HD23 LEU A 82 -12.349 -18.855 -6.631 1.00 15.33 H new ATOM 1318 N GLN A 83 -13.737 -22.784 -7.712 1.00 32.23 N ATOM 1319 CA GLN A 83 -14.061 -24.206 -7.685 1.00 2.30 C ATOM 1320 C GLN A 83 -14.841 -24.563 -6.424 1.00 51.32 C ATOM 1321 O GLN A 83 -14.654 -23.951 -5.372 1.00 52.35 O ATOM 1322 CB GLN A 83 -12.783 -25.043 -7.762 1.00 42.33 C ATOM 1323 CG GLN A 83 -11.908 -24.708 -8.959 1.00 44.13 C ATOM 1324 CD GLN A 83 -10.842 -25.755 -9.214 1.00 63.31 C ATOM 1325 OE1 GLN A 83 -10.597 -26.625 -8.377 1.00 44.42 O ATOM 1326 NE2 GLN A 83 -10.201 -25.678 -10.375 1.00 20.13 N ATOM 0 H GLN A 83 -12.890 -22.534 -7.201 1.00 32.23 H new ATOM 0 HA GLN A 83 -14.685 -24.427 -8.551 1.00 2.30 H new ATOM 0 HB2 GLN A 83 -12.207 -24.896 -6.849 1.00 42.33 H new ATOM 0 HB3 GLN A 83 -13.052 -26.099 -7.803 1.00 42.33 H new ATOM 0 HG2 GLN A 83 -12.534 -24.609 -9.846 1.00 44.13 H new ATOM 0 HG3 GLN A 83 -11.431 -23.741 -8.796 1.00 44.13 H new ATOM 0 HE21 GLN A 83 -10.436 -24.941 -11.039 1.00 20.13 H new ATOM 0 HE22 GLN A 83 -9.474 -26.356 -10.602 1.00 20.13 H new ATOM 1335 N ASP A 84 -15.716 -25.556 -6.537 1.00 62.04 N ATOM 1336 CA ASP A 84 -16.525 -25.995 -5.406 1.00 64.32 C ATOM 1337 C ASP A 84 -15.663 -26.703 -4.365 1.00 13.13 C ATOM 1338 O ASP A 84 -15.935 -26.629 -3.167 1.00 64.21 O ATOM 1339 CB ASP A 84 -17.641 -26.927 -5.881 1.00 42.21 C ATOM 1340 CG ASP A 84 -17.111 -28.255 -6.385 1.00 34.12 C ATOM 1341 OD1 ASP A 84 -16.398 -28.259 -7.409 1.00 42.35 O ATOM 1342 OD2 ASP A 84 -17.411 -29.291 -5.755 1.00 33.21 O ATOM 0 H ASP A 84 -15.883 -26.072 -7.401 1.00 62.04 H new ATOM 0 HA ASP A 84 -16.970 -25.113 -4.945 1.00 64.32 H new ATOM 0 HB2 ASP A 84 -18.336 -27.104 -5.060 1.00 42.21 H new ATOM 0 HB3 ASP A 84 -18.204 -26.439 -6.676 1.00 42.21 H new ATOM 1347 N ASN A 85 -14.625 -27.389 -4.830 1.00 62.24 N ATOM 1348 CA ASN A 85 -13.724 -28.112 -3.939 1.00 55.22 C ATOM 1349 C ASN A 85 -12.268 -27.790 -4.259 1.00 41.33 C ATOM 1350 O ASN A 85 -11.935 -27.316 -5.346 1.00 13.43 O ATOM 1351 CB ASN A 85 -13.962 -29.619 -4.053 1.00 10.03 C ATOM 1352 CG ASN A 85 -14.924 -30.134 -3.000 1.00 13.54 C ATOM 1353 OD1 ASN A 85 -15.865 -29.441 -2.611 1.00 72.12 O ATOM 1354 ND2 ASN A 85 -14.692 -31.355 -2.532 1.00 41.51 N ATOM 0 H ASN A 85 -14.386 -27.460 -5.819 1.00 62.24 H new ATOM 0 HA ASN A 85 -13.931 -27.794 -2.917 1.00 55.22 H new ATOM 0 HB2 ASN A 85 -14.355 -29.848 -5.043 1.00 10.03 H new ATOM 0 HB3 ASN A 85 -13.011 -30.142 -3.959 1.00 10.03 H new ATOM 0 HD21 ASN A 85 -15.306 -31.754 -1.822 1.00 41.51 H new ATOM 0 HD22 ASN A 85 -13.900 -31.894 -2.883 1.00 41.51 H new ATOM 1361 N PRO A 86 -11.377 -28.053 -3.292 1.00 33.34 N ATOM 1362 CA PRO A 86 -9.942 -27.801 -3.447 1.00 3.41 C ATOM 1363 C PRO A 86 -9.290 -28.754 -4.442 1.00 65.12 C ATOM 1364 O PRO A 86 -9.843 -29.806 -4.763 1.00 15.21 O ATOM 1365 CB PRO A 86 -9.386 -28.034 -2.040 1.00 31.22 C ATOM 1366 CG PRO A 86 -10.356 -28.966 -1.399 1.00 54.23 C ATOM 1367 CD PRO A 86 -11.703 -28.619 -1.972 1.00 10.14 C ATOM 0 HA PRO A 86 -9.744 -26.803 -3.838 1.00 3.41 H new ATOM 0 HB2 PRO A 86 -8.386 -28.466 -2.076 1.00 31.22 H new ATOM 0 HB3 PRO A 86 -9.309 -27.099 -1.485 1.00 31.22 H new ATOM 0 HG2 PRO A 86 -10.098 -30.004 -1.610 1.00 54.23 H new ATOM 0 HG3 PRO A 86 -10.351 -28.850 -0.315 1.00 54.23 H new ATOM 0 HD2 PRO A 86 -12.341 -29.498 -2.058 1.00 10.14 H new ATOM 0 HD3 PRO A 86 -12.233 -27.901 -1.346 1.00 10.14 H new ATOM 1375 N ARG A 87 -8.110 -28.380 -4.927 1.00 70.22 N ATOM 1376 CA ARG A 87 -7.383 -29.202 -5.887 1.00 30.52 C ATOM 1377 C ARG A 87 -6.248 -29.960 -5.204 1.00 35.53 C ATOM 1378 O ARG A 87 -5.215 -29.382 -4.865 1.00 53.14 O ATOM 1379 CB ARG A 87 -6.824 -28.333 -7.015 1.00 23.53 C ATOM 1380 CG ARG A 87 -7.647 -28.389 -8.291 1.00 44.44 C ATOM 1381 CD ARG A 87 -6.759 -28.458 -9.524 1.00 23.31 C ATOM 1382 NE ARG A 87 -6.540 -29.834 -9.964 1.00 2.33 N ATOM 1383 CZ ARG A 87 -6.033 -30.154 -11.149 1.00 21.40 C ATOM 1384 NH1 ARG A 87 -5.694 -29.203 -12.008 1.00 71.11 N ATOM 1385 NH2 ARG A 87 -5.864 -31.429 -11.477 1.00 4.04 N ATOM 0 H ARG A 87 -7.637 -27.513 -4.671 1.00 70.22 H new ATOM 0 HA ARG A 87 -8.080 -29.927 -6.308 1.00 30.52 H new ATOM 0 HB2 ARG A 87 -6.769 -27.299 -6.673 1.00 23.53 H new ATOM 0 HB3 ARG A 87 -5.805 -28.650 -7.236 1.00 23.53 H new ATOM 0 HG2 ARG A 87 -8.303 -29.259 -8.264 1.00 44.44 H new ATOM 0 HG3 ARG A 87 -8.287 -27.509 -8.351 1.00 44.44 H new ATOM 0 HD2 ARG A 87 -7.216 -27.887 -10.332 1.00 23.31 H new ATOM 0 HD3 ARG A 87 -5.799 -27.990 -9.306 1.00 23.31 H new ATOM 0 HE ARG A 87 -6.790 -30.590 -9.326 1.00 2.33 H new ATOM 0 HH11 ARG A 87 -5.822 -28.222 -11.760 1.00 71.11 H new ATOM 0 HH12 ARG A 87 -5.305 -29.452 -12.917 1.00 71.11 H new ATOM 0 HH21 ARG A 87 -6.124 -32.164 -10.819 1.00 4.04 H new ATOM 0 HH22 ARG A 87 -5.475 -31.674 -12.387 1.00 4.04 H new ATOM 1399 N THR A 88 -6.448 -31.259 -5.003 1.00 70.50 N ATOM 1400 CA THR A 88 -5.444 -32.097 -4.359 1.00 44.52 C ATOM 1401 C THR A 88 -4.448 -32.642 -5.377 1.00 1.44 C ATOM 1402 O THR A 88 -4.785 -32.839 -6.544 1.00 70.43 O ATOM 1403 CB THR A 88 -6.092 -33.276 -3.610 1.00 3.25 C ATOM 1404 OG1 THR A 88 -7.315 -32.854 -2.997 1.00 12.33 O ATOM 1405 CG2 THR A 88 -5.150 -33.825 -2.548 1.00 74.54 C ATOM 0 H THR A 88 -7.297 -31.754 -5.277 1.00 70.50 H new ATOM 0 HA THR A 88 -4.919 -31.466 -3.642 1.00 44.52 H new ATOM 0 HB THR A 88 -6.301 -34.066 -4.332 1.00 3.25 H new ATOM 0 HG1 THR A 88 -7.722 -33.610 -2.524 1.00 12.33 H new ATOM 0 HG21 THR A 88 -5.629 -34.657 -2.032 1.00 74.54 H new ATOM 0 HG22 THR A 88 -4.231 -34.172 -3.021 1.00 74.54 H new ATOM 0 HG23 THR A 88 -4.914 -33.040 -1.830 1.00 74.54 H new ATOM 1413 N ILE A 89 -3.221 -32.883 -4.926 1.00 73.03 N ATOM 1414 CA ILE A 89 -2.177 -33.407 -5.798 1.00 75.32 C ATOM 1415 C ILE A 89 -2.026 -34.915 -5.629 1.00 74.35 C ATOM 1416 O ILE A 89 -2.187 -35.447 -4.531 1.00 31.30 O ATOM 1417 CB ILE A 89 -0.821 -32.733 -5.521 1.00 51.41 C ATOM 1418 CG1 ILE A 89 -0.951 -31.212 -5.631 1.00 33.13 C ATOM 1419 CG2 ILE A 89 0.235 -33.250 -6.486 1.00 71.23 C ATOM 1420 CD1 ILE A 89 -1.290 -30.538 -4.319 1.00 63.52 C ATOM 0 H ILE A 89 -2.926 -32.724 -3.963 1.00 73.03 H new ATOM 0 HA ILE A 89 -2.481 -33.186 -6.821 1.00 75.32 H new ATOM 0 HB ILE A 89 -0.510 -32.980 -4.506 1.00 51.41 H new ATOM 0 HG12 ILE A 89 -0.015 -30.802 -6.010 1.00 33.13 H new ATOM 0 HG13 ILE A 89 -1.723 -30.973 -6.363 1.00 33.13 H new ATOM 0 HG21 ILE A 89 1.188 -32.764 -6.277 1.00 71.23 H new ATOM 0 HG22 ILE A 89 0.343 -34.328 -6.364 1.00 71.23 H new ATOM 0 HG23 ILE A 89 -0.068 -33.029 -7.509 1.00 71.23 H new ATOM 0 HD11 ILE A 89 -1.366 -29.462 -4.472 1.00 63.52 H new ATOM 0 HD12 ILE A 89 -2.241 -30.920 -3.949 1.00 63.52 H new ATOM 0 HD13 ILE A 89 -0.507 -30.746 -3.590 1.00 63.52 H new ATOM 1432 N VAL A 90 -1.714 -35.600 -6.726 1.00 15.44 N ATOM 1433 CA VAL A 90 -1.538 -37.047 -6.699 1.00 52.32 C ATOM 1434 C VAL A 90 -0.541 -37.459 -5.622 1.00 60.34 C ATOM 1435 O VAL A 90 0.321 -36.683 -5.209 1.00 35.02 O ATOM 1436 CB VAL A 90 -1.055 -37.578 -8.062 1.00 31.23 C ATOM 1437 CG1 VAL A 90 -2.203 -37.612 -9.059 1.00 43.44 C ATOM 1438 CG2 VAL A 90 0.094 -36.731 -8.587 1.00 1.15 C ATOM 0 H VAL A 90 -1.578 -35.176 -7.644 1.00 15.44 H new ATOM 0 HA VAL A 90 -2.512 -37.481 -6.473 1.00 52.32 H new ATOM 0 HB VAL A 90 -0.692 -38.597 -7.928 1.00 31.23 H new ATOM 0 HG11 VAL A 90 -1.843 -37.990 -10.016 1.00 43.44 H new ATOM 0 HG12 VAL A 90 -2.991 -38.265 -8.684 1.00 43.44 H new ATOM 0 HG13 VAL A 90 -2.599 -36.605 -9.192 1.00 43.44 H new ATOM 0 HG21 VAL A 90 0.423 -37.121 -9.551 1.00 1.15 H new ATOM 0 HG22 VAL A 90 -0.239 -35.700 -8.707 1.00 1.15 H new ATOM 0 HG23 VAL A 90 0.923 -36.765 -7.880 1.00 1.15 H new ATOM 1448 N PRO A 91 -0.658 -38.711 -5.156 1.00 60.52 N ATOM 1449 CA PRO A 91 0.226 -39.257 -4.122 1.00 11.24 C ATOM 1450 C PRO A 91 1.647 -39.474 -4.629 1.00 3.00 C ATOM 1451 O PRO A 91 1.888 -40.320 -5.490 1.00 72.14 O ATOM 1452 CB PRO A 91 -0.426 -40.596 -3.768 1.00 11.22 C ATOM 1453 CG PRO A 91 -1.189 -40.980 -4.988 1.00 52.33 C ATOM 1454 CD PRO A 91 -1.662 -39.692 -5.604 1.00 2.45 C ATOM 0 HA PRO A 91 0.328 -38.580 -3.274 1.00 11.24 H new ATOM 0 HB2 PRO A 91 0.323 -41.347 -3.517 1.00 11.22 H new ATOM 0 HB3 PRO A 91 -1.083 -40.500 -2.904 1.00 11.22 H new ATOM 0 HG2 PRO A 91 -0.560 -41.537 -5.683 1.00 52.33 H new ATOM 0 HG3 PRO A 91 -2.031 -41.624 -4.735 1.00 52.33 H new ATOM 0 HD2 PRO A 91 -1.703 -39.758 -6.691 1.00 2.45 H new ATOM 0 HD3 PRO A 91 -2.663 -39.427 -5.263 1.00 2.45 H new ATOM 1462 N LYS A 92 2.587 -38.705 -4.090 1.00 21.15 N ATOM 1463 CA LYS A 92 3.986 -38.814 -4.486 1.00 1.12 C ATOM 1464 C LYS A 92 4.570 -40.156 -4.057 1.00 70.44 C ATOM 1465 O LYS A 92 4.810 -40.390 -2.873 1.00 34.21 O ATOM 1466 CB LYS A 92 4.801 -37.673 -3.874 1.00 2.55 C ATOM 1467 CG LYS A 92 6.010 -37.275 -4.703 1.00 72.12 C ATOM 1468 CD LYS A 92 7.185 -38.207 -4.459 1.00 73.32 C ATOM 1469 CE LYS A 92 8.438 -37.724 -5.173 1.00 54.41 C ATOM 1470 NZ LYS A 92 8.312 -37.838 -6.653 1.00 22.04 N ATOM 0 H LYS A 92 2.405 -37.999 -3.377 1.00 21.15 H new ATOM 0 HA LYS A 92 4.036 -38.746 -5.573 1.00 1.12 H new ATOM 0 HB2 LYS A 92 4.155 -36.804 -3.748 1.00 2.55 H new ATOM 0 HB3 LYS A 92 5.135 -37.969 -2.879 1.00 2.55 H new ATOM 0 HG2 LYS A 92 5.747 -37.289 -5.761 1.00 72.12 H new ATOM 0 HG3 LYS A 92 6.299 -36.253 -4.459 1.00 72.12 H new ATOM 0 HD2 LYS A 92 7.379 -38.277 -3.389 1.00 73.32 H new ATOM 0 HD3 LYS A 92 6.933 -39.210 -4.803 1.00 73.32 H new ATOM 0 HE2 LYS A 92 8.632 -36.686 -4.904 1.00 54.41 H new ATOM 0 HE3 LYS A 92 9.296 -38.306 -4.836 1.00 54.41 H new ATOM 0 HZ1 LYS A 92 9.199 -37.531 -7.102 1.00 22.04 H new ATOM 0 HZ2 LYS A 92 8.118 -38.827 -6.910 1.00 22.04 H new ATOM 0 HZ3 LYS A 92 7.531 -37.236 -6.982 1.00 22.04 H new ATOM 1484 N SER A 93 4.798 -41.035 -5.029 1.00 11.51 N ATOM 1485 CA SER A 93 5.352 -42.355 -4.752 1.00 11.44 C ATOM 1486 C SER A 93 6.736 -42.505 -5.376 1.00 32.01 C ATOM 1487 O SER A 93 7.254 -41.576 -5.995 1.00 3.40 O ATOM 1488 CB SER A 93 4.419 -43.444 -5.283 1.00 70.42 C ATOM 1489 OG SER A 93 3.115 -43.306 -4.746 1.00 51.23 O ATOM 0 H SER A 93 4.607 -40.856 -6.015 1.00 11.51 H new ATOM 0 HA SER A 93 5.447 -42.463 -3.672 1.00 11.44 H new ATOM 0 HB2 SER A 93 4.375 -43.391 -6.371 1.00 70.42 H new ATOM 0 HB3 SER A 93 4.819 -44.426 -5.028 1.00 70.42 H new ATOM 0 HG SER A 93 2.538 -44.013 -5.103 1.00 51.23 H new ATOM 1495 N TYR A 94 7.328 -43.682 -5.208 1.00 45.13 N ATOM 1496 CA TYR A 94 8.653 -43.955 -5.753 1.00 3.15 C ATOM 1497 C TYR A 94 8.987 -45.440 -5.655 1.00 71.40 C ATOM 1498 O TYR A 94 8.775 -46.069 -4.618 1.00 45.32 O ATOM 1499 CB TYR A 94 9.711 -43.134 -5.013 1.00 13.33 C ATOM 1500 CG TYR A 94 9.572 -43.184 -3.508 1.00 5.32 C ATOM 1501 CD1 TYR A 94 8.754 -42.284 -2.836 1.00 31.23 C ATOM 1502 CD2 TYR A 94 10.261 -44.129 -2.758 1.00 72.30 C ATOM 1503 CE1 TYR A 94 8.625 -42.326 -1.461 1.00 11.52 C ATOM 1504 CE2 TYR A 94 10.137 -44.179 -1.383 1.00 52.11 C ATOM 1505 CZ TYR A 94 9.318 -43.275 -0.739 1.00 51.11 C ATOM 1506 OH TYR A 94 9.193 -43.320 0.631 1.00 72.15 O ATOM 0 H TYR A 94 6.912 -44.462 -4.699 1.00 45.13 H new ATOM 0 HA TYR A 94 8.651 -43.670 -6.805 1.00 3.15 H new ATOM 0 HB2 TYR A 94 10.701 -43.497 -5.290 1.00 13.33 H new ATOM 0 HB3 TYR A 94 9.649 -42.096 -5.341 1.00 13.33 H new ATOM 0 HD1 TYR A 94 8.210 -41.539 -3.398 1.00 31.23 H new ATOM 0 HD2 TYR A 94 10.905 -44.837 -3.259 1.00 72.30 H new ATOM 0 HE1 TYR A 94 7.985 -41.619 -0.954 1.00 11.52 H new ATOM 0 HE2 TYR A 94 10.678 -44.922 -0.816 1.00 52.11 H new ATOM 0 HH TYR A 94 9.746 -44.047 0.986 1.00 72.15 H new ATOM 1516 N ALA A 95 9.510 -45.995 -6.743 1.00 64.23 N ATOM 1517 CA ALA A 95 9.876 -47.406 -6.781 1.00 44.41 C ATOM 1518 C ALA A 95 11.325 -47.609 -6.350 1.00 40.44 C ATOM 1519 O ALA A 95 12.053 -46.645 -6.112 1.00 14.42 O ATOM 1520 CB ALA A 95 9.654 -47.971 -8.176 1.00 22.30 C ATOM 0 H ALA A 95 9.690 -45.489 -7.610 1.00 64.23 H new ATOM 0 HA ALA A 95 9.237 -47.941 -6.078 1.00 44.41 H new ATOM 0 HB1 ALA A 95 9.931 -49.025 -8.190 1.00 22.30 H new ATOM 0 HB2 ALA A 95 8.603 -47.869 -8.447 1.00 22.30 H new ATOM 0 HB3 ALA A 95 10.268 -47.425 -8.892 1.00 22.30 H new ATOM 1526 N ASP A 96 11.737 -48.868 -6.252 1.00 41.31 N ATOM 1527 CA ASP A 96 13.100 -49.197 -5.850 1.00 73.12 C ATOM 1528 C ASP A 96 13.425 -50.652 -6.174 1.00 42.22 C ATOM 1529 O ASP A 96 12.659 -51.557 -5.848 1.00 54.10 O ATOM 1530 CB ASP A 96 13.289 -48.940 -4.354 1.00 42.05 C ATOM 1531 CG ASP A 96 14.581 -49.531 -3.825 1.00 10.34 C ATOM 1532 OD1 ASP A 96 15.653 -48.946 -4.088 1.00 20.23 O ATOM 1533 OD2 ASP A 96 14.520 -50.577 -3.146 1.00 71.10 O ATOM 0 H ASP A 96 11.147 -49.677 -6.445 1.00 41.31 H new ATOM 0 HA ASP A 96 13.783 -48.557 -6.410 1.00 73.12 H new ATOM 0 HB2 ASP A 96 13.281 -47.866 -4.169 1.00 42.05 H new ATOM 0 HB3 ASP A 96 12.447 -49.364 -3.806 1.00 42.05 H new ATOM 1538 N ASN A 97 14.567 -50.868 -6.819 1.00 41.10 N ATOM 1539 CA ASN A 97 14.993 -52.213 -7.189 1.00 3.31 C ATOM 1540 C ASN A 97 16.498 -52.379 -6.997 1.00 13.24 C ATOM 1541 O ASN A 97 17.260 -51.420 -7.122 1.00 61.23 O ATOM 1542 CB ASN A 97 14.618 -52.507 -8.643 1.00 21.54 C ATOM 1543 CG ASN A 97 15.398 -51.656 -9.625 1.00 45.22 C ATOM 1544 OD1 ASN A 97 15.485 -50.437 -9.475 1.00 24.01 O ATOM 1545 ND2 ASN A 97 15.971 -52.296 -10.638 1.00 54.13 N ATOM 0 H ASN A 97 15.214 -50.129 -7.096 1.00 41.10 H new ATOM 0 HA ASN A 97 14.481 -52.922 -6.538 1.00 3.31 H new ATOM 0 HB2 ASN A 97 14.799 -53.561 -8.856 1.00 21.54 H new ATOM 0 HB3 ASN A 97 13.551 -52.332 -8.783 1.00 21.54 H new ATOM 0 HD21 ASN A 97 16.509 -51.776 -11.331 1.00 54.13 H new ATOM 0 HD22 ASN A 97 15.873 -53.308 -10.723 1.00 54.13 H new ATOM 1552 N PHE A 98 16.918 -53.602 -6.692 1.00 3.14 N ATOM 1553 CA PHE A 98 18.331 -53.894 -6.482 1.00 24.35 C ATOM 1554 C PHE A 98 18.732 -55.182 -7.196 1.00 5.32 C ATOM 1555 O PHE A 98 17.882 -55.996 -7.557 1.00 25.52 O ATOM 1556 CB PHE A 98 18.633 -54.012 -4.986 1.00 73.31 C ATOM 1557 CG PHE A 98 17.926 -55.158 -4.321 1.00 32.33 C ATOM 1558 CD1 PHE A 98 18.460 -56.436 -4.359 1.00 45.14 C ATOM 1559 CD2 PHE A 98 16.726 -54.958 -3.657 1.00 21.00 C ATOM 1560 CE1 PHE A 98 17.813 -57.493 -3.748 1.00 14.22 C ATOM 1561 CE2 PHE A 98 16.074 -56.011 -3.043 1.00 50.23 C ATOM 1562 CZ PHE A 98 16.617 -57.280 -3.090 1.00 2.12 C ATOM 0 H PHE A 98 16.300 -54.407 -6.585 1.00 3.14 H new ATOM 0 HA PHE A 98 18.912 -53.071 -6.899 1.00 24.35 H new ATOM 0 HB2 PHE A 98 19.708 -54.130 -4.849 1.00 73.31 H new ATOM 0 HB3 PHE A 98 18.348 -53.083 -4.491 1.00 73.31 H new ATOM 0 HD1 PHE A 98 19.394 -56.608 -4.873 1.00 45.14 H new ATOM 0 HD2 PHE A 98 16.295 -53.968 -3.619 1.00 21.00 H new ATOM 0 HE1 PHE A 98 18.241 -58.484 -3.785 1.00 14.22 H new ATOM 0 HE2 PHE A 98 15.141 -55.841 -2.527 1.00 50.23 H new ATOM 0 HZ PHE A 98 16.108 -58.104 -2.613 1.00 2.12 H new ATOM 1572 N THR A 99 20.035 -55.359 -7.397 1.00 54.55 N ATOM 1573 CA THR A 99 20.550 -56.545 -8.070 1.00 13.43 C ATOM 1574 C THR A 99 21.934 -56.914 -7.549 1.00 42.25 C ATOM 1575 O THR A 99 22.786 -56.047 -7.352 1.00 64.35 O ATOM 1576 CB THR A 99 20.625 -56.338 -9.594 1.00 72.23 C ATOM 1577 OG1 THR A 99 19.367 -55.864 -10.087 1.00 73.31 O ATOM 1578 CG2 THR A 99 20.995 -57.635 -10.298 1.00 41.14 C ATOM 0 H THR A 99 20.752 -54.696 -7.103 1.00 54.55 H new ATOM 0 HA THR A 99 19.856 -57.357 -7.856 1.00 13.43 H new ATOM 0 HB THR A 99 21.398 -55.597 -9.800 1.00 72.23 H new ATOM 0 HG1 THR A 99 19.424 -55.734 -11.057 1.00 73.31 H new ATOM 0 HG21 THR A 99 21.042 -57.465 -11.374 1.00 41.14 H new ATOM 0 HG22 THR A 99 21.967 -57.978 -9.942 1.00 41.14 H new ATOM 0 HG23 THR A 99 20.242 -58.393 -10.083 1.00 41.14 H new ATOM 1586 N LYS A 100 22.153 -58.206 -7.329 1.00 2.40 N ATOM 1587 CA LYS A 100 23.436 -58.691 -6.833 1.00 74.13 C ATOM 1588 C LYS A 100 24.063 -59.673 -7.818 1.00 0.14 C ATOM 1589 O LYS A 100 23.391 -60.241 -8.679 1.00 12.32 O ATOM 1590 CB LYS A 100 23.257 -59.363 -5.470 1.00 24.11 C ATOM 1591 CG LYS A 100 23.714 -58.503 -4.304 1.00 32.52 C ATOM 1592 CD LYS A 100 22.699 -58.514 -3.173 1.00 25.25 C ATOM 1593 CE LYS A 100 22.492 -59.917 -2.623 1.00 24.21 C ATOM 1594 NZ LYS A 100 21.246 -60.540 -3.147 1.00 54.04 N ATOM 0 H LYS A 100 21.459 -58.936 -7.486 1.00 2.40 H new ATOM 0 HA LYS A 100 24.103 -57.836 -6.725 1.00 74.13 H new ATOM 0 HB2 LYS A 100 22.205 -59.616 -5.334 1.00 24.11 H new ATOM 0 HB3 LYS A 100 23.814 -60.300 -5.460 1.00 24.11 H new ATOM 0 HG2 LYS A 100 24.674 -58.866 -3.937 1.00 32.52 H new ATOM 0 HG3 LYS A 100 23.870 -57.479 -4.645 1.00 32.52 H new ATOM 0 HD2 LYS A 100 23.037 -57.855 -2.373 1.00 25.25 H new ATOM 0 HD3 LYS A 100 21.749 -58.119 -3.532 1.00 25.25 H new ATOM 0 HE2 LYS A 100 23.347 -60.540 -2.885 1.00 24.21 H new ATOM 0 HE3 LYS A 100 22.448 -59.878 -1.535 1.00 24.21 H new ATOM 0 HZ1 LYS A 100 20.819 -61.136 -2.409 1.00 54.04 H new ATOM 0 HZ2 LYS A 100 20.574 -59.795 -3.422 1.00 54.04 H new ATOM 0 HZ3 LYS A 100 21.473 -61.125 -3.976 1.00 54.04 H new ATOM 1608 N PRO A 101 25.382 -59.880 -7.689 1.00 31.25 N ATOM 1609 CA PRO A 101 26.128 -60.795 -8.557 1.00 61.50 C ATOM 1610 C PRO A 101 25.774 -62.256 -8.300 1.00 61.32 C ATOM 1611 O PRO A 101 25.108 -62.580 -7.316 1.00 43.44 O ATOM 1612 CB PRO A 101 27.588 -60.526 -8.185 1.00 43.23 C ATOM 1613 CG PRO A 101 27.534 -60.006 -6.790 1.00 43.13 C ATOM 1614 CD PRO A 101 26.246 -59.237 -6.684 1.00 62.53 C ATOM 0 HA PRO A 101 25.905 -60.629 -9.611 1.00 61.50 H new ATOM 0 HB2 PRO A 101 28.186 -61.435 -8.246 1.00 43.23 H new ATOM 0 HB3 PRO A 101 28.041 -59.801 -8.861 1.00 43.23 H new ATOM 0 HG2 PRO A 101 27.562 -60.822 -6.068 1.00 43.13 H new ATOM 0 HG3 PRO A 101 28.390 -59.365 -6.579 1.00 43.13 H new ATOM 0 HD2 PRO A 101 25.818 -59.305 -5.684 1.00 62.53 H new ATOM 0 HD3 PRO A 101 26.391 -58.178 -6.897 1.00 62.53 H new ATOM 1622 N ARG A 102 26.224 -63.135 -9.190 1.00 51.34 N ATOM 1623 CA ARG A 102 25.954 -64.561 -9.060 1.00 35.32 C ATOM 1624 C ARG A 102 27.252 -65.350 -8.919 1.00 62.14 C ATOM 1625 O ARG A 102 27.889 -65.699 -9.914 1.00 32.13 O ATOM 1626 CB ARG A 102 25.166 -65.066 -10.270 1.00 42.25 C ATOM 1627 CG ARG A 102 24.380 -66.338 -9.999 1.00 13.34 C ATOM 1628 CD ARG A 102 23.178 -66.070 -9.105 1.00 45.44 C ATOM 1629 NE ARG A 102 22.119 -65.356 -9.813 1.00 11.32 N ATOM 1630 CZ ARG A 102 21.286 -65.937 -10.669 1.00 11.11 C ATOM 1631 NH1 ARG A 102 21.389 -67.234 -10.922 1.00 72.30 N ATOM 1632 NH2 ARG A 102 20.347 -65.220 -11.273 1.00 61.14 N ATOM 0 H ARG A 102 26.777 -62.884 -10.009 1.00 51.34 H new ATOM 0 HA ARG A 102 25.358 -64.711 -8.160 1.00 35.32 H new ATOM 0 HB2 ARG A 102 24.477 -64.286 -10.595 1.00 42.25 H new ATOM 0 HB3 ARG A 102 25.857 -65.245 -11.094 1.00 42.25 H new ATOM 0 HG2 ARG A 102 24.044 -66.768 -10.943 1.00 13.34 H new ATOM 0 HG3 ARG A 102 25.029 -67.075 -9.526 1.00 13.34 H new ATOM 0 HD2 ARG A 102 22.788 -67.016 -8.728 1.00 45.44 H new ATOM 0 HD3 ARG A 102 23.493 -65.487 -8.239 1.00 45.44 H new ATOM 0 HE ARG A 102 22.013 -64.356 -9.641 1.00 11.32 H new ATOM 0 HH11 ARG A 102 22.109 -67.788 -10.459 1.00 72.30 H new ATOM 0 HH12 ARG A 102 20.748 -67.678 -11.580 1.00 72.30 H new ATOM 0 HH21 ARG A 102 20.264 -64.222 -11.080 1.00 61.14 H new ATOM 0 HH22 ARG A 102 19.708 -65.667 -11.930 1.00 61.14 H new ATOM 1646 N ASP A 103 27.639 -65.627 -7.679 1.00 51.11 N ATOM 1647 CA ASP A 103 28.861 -66.375 -7.408 1.00 42.22 C ATOM 1648 C ASP A 103 28.688 -67.847 -7.767 1.00 61.32 C ATOM 1649 O ASP A 103 27.582 -68.383 -7.713 1.00 33.51 O ATOM 1650 CB ASP A 103 29.252 -66.239 -5.936 1.00 1.42 C ATOM 1651 CG ASP A 103 28.291 -66.961 -5.012 1.00 62.44 C ATOM 1652 OD1 ASP A 103 28.356 -68.207 -4.945 1.00 41.01 O ATOM 1653 OD2 ASP A 103 27.475 -66.282 -4.356 1.00 52.44 O ATOM 0 H ASP A 103 27.124 -65.345 -6.845 1.00 51.11 H new ATOM 0 HA ASP A 103 29.656 -65.960 -8.027 1.00 42.22 H new ATOM 0 HB2 ASP A 103 30.257 -66.636 -5.792 1.00 1.42 H new ATOM 0 HB3 ASP A 103 29.285 -65.183 -5.668 1.00 1.42 H new ATOM 1658 N MET A 104 29.789 -68.495 -8.135 1.00 11.21 N ATOM 1659 CA MET A 104 29.758 -69.906 -8.503 1.00 2.41 C ATOM 1660 C MET A 104 29.299 -70.764 -7.328 1.00 41.15 C ATOM 1661 O MET A 104 29.010 -71.950 -7.489 1.00 34.31 O ATOM 1662 CB MET A 104 31.141 -70.362 -8.974 1.00 35.14 C ATOM 1663 CG MET A 104 32.191 -70.351 -7.875 1.00 10.40 C ATOM 1664 SD MET A 104 33.869 -70.203 -8.519 1.00 75.34 S ATOM 1665 CE MET A 104 34.726 -69.554 -7.087 1.00 32.51 C ATOM 0 H MET A 104 30.713 -68.066 -8.186 1.00 11.21 H new ATOM 0 HA MET A 104 29.046 -70.028 -9.319 1.00 2.41 H new ATOM 0 HB2 MET A 104 31.063 -71.370 -9.381 1.00 35.14 H new ATOM 0 HB3 MET A 104 31.471 -69.715 -9.787 1.00 35.14 H new ATOM 0 HG2 MET A 104 31.992 -69.522 -7.196 1.00 10.40 H new ATOM 0 HG3 MET A 104 32.110 -71.268 -7.291 1.00 10.40 H new ATOM 0 HE1 MET A 104 35.779 -69.408 -7.328 1.00 32.51 H new ATOM 0 HE2 MET A 104 34.284 -68.600 -6.800 1.00 32.51 H new ATOM 0 HE3 MET A 104 34.638 -70.258 -6.260 1.00 32.51 H new TER 1675 MET A 104