USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 974 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 27 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Set 1.2: A 36 GLN :FLIP amide:sc= 0 X(o=-0.34,f=0) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.0644 K(o=0.78,f=-7.9!) USER MOD Set 2.2: A 19 SER OG : rot -79:sc= 0.718 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.03 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -1 MET CE :methyl 129:sc= -0.0917 (180deg=-0.768) USER MOD Single : A -3 GLY N :NH3+ 132:sc= 0.00704 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -4.52! C(o=-4.5!,f=-5.3!) USER MOD Single : A 16 ASN : amide:sc= -1.22 K(o=-1.2,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -65:sc= 0.811 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 93:sc= 0.0653 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0517 X(o=-0.052,f=-0.0029) USER MOD Single : A 43 SER OG : rot 74:sc= 0.236 USER MOD Single : A 44 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 34:sc= 0.913 USER MOD Single : A 49 THR OG1 : rot -67:sc= -0.221 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ -137:sc= 0 (180deg=-0.123) USER MOD Single : A 61 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 64 MET CE :methyl -126:sc= -0.187 (180deg=-0.909) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN :FLIP amide:sc= -0.669 F(o=-1.2,f=-0.67) USER MOD Single : A 69 THR OG1 : rot -46:sc= 1.04 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 74 THR OG1 : rot 180:sc=-0.00797 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.7) USER MOD Single : A 76 SER OG : rot 180:sc=-0.000713 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0.0316 USER MOD Single : A 78 LYS NZ :NH3+ -145:sc= 0 (180deg=-0.0736) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot -140:sc= -1.11 USER MOD Single : A 84 THR OG1 : rot -45:sc= 1.04 USER MOD Single : A 85 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= 0 USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 LYS NZ :NH3+ -141:sc= 0 (180deg=-0.0415) USER MOD Single : A 89 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 90 LYS NZ :NH3+ -110:sc= 0 (180deg=-0.0881) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl 166:sc= -0.51 (180deg=-0.975) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN :FLIP amide:sc= -0.244 F(o=-0.9,f=-0.24) USER MOD Single : A 107 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0484) USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-0.75) USER MOD Single : A 120 LYS NZ :NH3+ -144:sc= 0 (180deg=-0.0448) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 121.368 9.041 11.913 1.00 0.00 N ATOM 2 CA GLY A -3 120.098 9.332 11.190 1.00 0.00 C ATOM 3 C GLY A -3 120.397 10.171 9.947 1.00 0.00 C ATOM 4 O GLY A -3 121.184 11.099 9.991 1.00 0.00 O ATOM 0 H1 GLY A -3 121.246 9.246 12.925 1.00 0.00 H new ATOM 0 H2 GLY A -3 121.616 8.038 11.790 1.00 0.00 H new ATOM 0 H3 GLY A -3 122.130 9.635 11.529 1.00 0.00 H new ATOM 0 HA2 GLY A -3 119.609 8.401 10.904 1.00 0.00 H new ATOM 0 HA3 GLY A -3 119.409 9.866 11.845 1.00 0.00 H new ATOM 10 N ALA A -2 119.775 9.848 8.838 1.00 0.00 N ATOM 11 CA ALA A -2 120.015 10.620 7.581 1.00 0.00 C ATOM 12 C ALA A -2 118.721 10.720 6.767 1.00 0.00 C ATOM 13 O ALA A -2 117.832 9.898 6.899 1.00 0.00 O ATOM 14 CB ALA A -2 121.068 9.816 6.818 1.00 0.00 C ATOM 0 H ALA A -2 119.109 9.080 8.751 1.00 0.00 H new ATOM 0 HA ALA A -2 120.345 11.640 7.779 1.00 0.00 H new ATOM 0 HB1 ALA A -2 121.300 10.319 5.879 1.00 0.00 H new ATOM 0 HB2 ALA A -2 121.973 9.737 7.421 1.00 0.00 H new ATOM 0 HB3 ALA A -2 120.683 8.818 6.610 1.00 0.00 H new ATOM 20 N MET A -1 118.615 11.721 5.926 1.00 0.00 N ATOM 21 CA MET A -1 117.383 11.888 5.095 1.00 0.00 C ATOM 22 C MET A -1 117.733 11.799 3.607 1.00 0.00 C ATOM 23 O MET A -1 118.844 12.093 3.206 1.00 0.00 O ATOM 24 CB MET A -1 116.857 13.283 5.440 1.00 0.00 C ATOM 25 CG MET A -1 116.368 13.302 6.890 1.00 0.00 C ATOM 26 SD MET A -1 115.570 14.890 7.235 1.00 0.00 S ATOM 27 CE MET A -1 114.039 14.580 6.323 1.00 0.00 C ATOM 0 H MET A -1 119.332 12.432 5.780 1.00 0.00 H new ATOM 0 HA MET A -1 116.643 11.113 5.294 1.00 0.00 H new ATOM 0 HB2 MET A -1 117.644 14.024 5.301 1.00 0.00 H new ATOM 0 HB3 MET A -1 116.043 13.553 4.767 1.00 0.00 H new ATOM 0 HG2 MET A -1 115.666 12.485 7.059 1.00 0.00 H new ATOM 0 HG3 MET A -1 117.206 13.148 7.570 1.00 0.00 H new ATOM 0 HE1 MET A -1 113.184 14.795 6.964 1.00 0.00 H new ATOM 0 HE2 MET A -1 114.003 15.222 5.443 1.00 0.00 H new ATOM 0 HE3 MET A -1 114.006 13.536 6.012 1.00 0.00 H new ATOM 37 N GLY A 0 116.790 11.394 2.791 1.00 0.00 N ATOM 38 CA GLY A 0 117.054 11.277 1.325 1.00 0.00 C ATOM 39 C GLY A 0 115.954 10.438 0.673 1.00 0.00 C ATOM 40 O GLY A 0 114.779 10.723 0.819 1.00 0.00 O ATOM 0 H GLY A 0 115.846 11.139 3.080 1.00 0.00 H new ATOM 0 HA2 GLY A 0 117.088 12.267 0.871 1.00 0.00 H new ATOM 0 HA3 GLY A 0 118.027 10.815 1.156 1.00 0.00 H new ATOM 44 N MET A 1 116.329 9.407 -0.045 1.00 0.00 N ATOM 45 CA MET A 1 115.313 8.535 -0.707 1.00 0.00 C ATOM 46 C MET A 1 115.009 7.318 0.172 1.00 0.00 C ATOM 47 O MET A 1 115.906 6.609 0.592 1.00 0.00 O ATOM 48 CB MET A 1 115.959 8.100 -2.023 1.00 0.00 C ATOM 49 CG MET A 1 114.917 7.398 -2.898 1.00 0.00 C ATOM 50 SD MET A 1 113.875 8.637 -3.707 1.00 0.00 S ATOM 51 CE MET A 1 114.701 8.610 -5.318 1.00 0.00 C ATOM 0 H MET A 1 117.299 9.132 -0.201 1.00 0.00 H new ATOM 0 HA MET A 1 114.368 9.053 -0.871 1.00 0.00 H new ATOM 0 HB2 MET A 1 116.363 8.967 -2.546 1.00 0.00 H new ATOM 0 HB3 MET A 1 116.795 7.429 -1.825 1.00 0.00 H new ATOM 0 HG2 MET A 1 115.412 6.779 -3.646 1.00 0.00 H new ATOM 0 HG3 MET A 1 114.304 6.733 -2.290 1.00 0.00 H new ATOM 0 HE1 MET A 1 114.212 9.315 -5.990 1.00 0.00 H new ATOM 0 HE2 MET A 1 115.747 8.891 -5.195 1.00 0.00 H new ATOM 0 HE3 MET A 1 114.642 7.607 -5.740 1.00 0.00 H new ATOM 61 N SER A 2 113.751 7.074 0.451 1.00 0.00 N ATOM 62 CA SER A 2 113.375 5.915 1.316 1.00 0.00 C ATOM 63 C SER A 2 112.411 4.985 0.572 1.00 0.00 C ATOM 64 O SER A 2 111.672 5.415 -0.296 1.00 0.00 O ATOM 65 CB SER A 2 112.688 6.536 2.532 1.00 0.00 C ATOM 66 OG SER A 2 113.577 7.450 3.157 1.00 0.00 O ATOM 0 H SER A 2 112.966 7.631 0.114 1.00 0.00 H new ATOM 0 HA SER A 2 114.240 5.314 1.597 1.00 0.00 H new ATOM 0 HB2 SER A 2 111.776 7.049 2.226 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.395 5.757 3.236 1.00 0.00 H new ATOM 0 HG SER A 2 113.139 7.851 3.936 1.00 0.00 H new ATOM 72 N VAL A 3 112.417 3.718 0.909 1.00 0.00 N ATOM 73 CA VAL A 3 111.490 2.746 0.236 1.00 0.00 C ATOM 74 C VAL A 3 110.032 3.072 0.598 1.00 0.00 C ATOM 75 O VAL A 3 109.129 2.849 -0.187 1.00 0.00 O ATOM 76 CB VAL A 3 111.887 1.356 0.767 1.00 0.00 C ATOM 77 CG1 VAL A 3 111.003 0.279 0.128 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.352 1.069 0.420 1.00 0.00 C ATOM 0 H VAL A 3 113.023 3.312 1.621 1.00 0.00 H new ATOM 0 HA VAL A 3 111.568 2.792 -0.850 1.00 0.00 H new ATOM 0 HB VAL A 3 111.754 1.342 1.849 1.00 0.00 H new ATOM 0 HG11 VAL A 3 111.291 -0.701 0.509 1.00 0.00 H new ATOM 0 HG12 VAL A 3 109.959 0.472 0.374 1.00 0.00 H new ATOM 0 HG13 VAL A 3 111.130 0.299 -0.954 1.00 0.00 H new ATOM 0 HG21 VAL A 3 113.629 0.085 0.797 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.481 1.092 -0.662 1.00 0.00 H new ATOM 0 HG23 VAL A 3 113.989 1.826 0.878 1.00 0.00 H new ATOM 88 N ALA A 4 109.803 3.598 1.779 1.00 0.00 N ATOM 89 CA ALA A 4 108.403 3.924 2.211 1.00 0.00 C ATOM 90 C ALA A 4 107.776 4.965 1.274 1.00 0.00 C ATOM 91 O ALA A 4 106.573 4.990 1.082 1.00 0.00 O ATOM 92 CB ALA A 4 108.534 4.495 3.626 1.00 0.00 C ATOM 0 H ALA A 4 110.526 3.816 2.464 1.00 0.00 H new ATOM 0 HA ALA A 4 107.760 3.044 2.184 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.546 4.756 4.006 1.00 0.00 H new ATOM 0 HB2 ALA A 4 108.988 3.749 4.279 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.161 5.386 3.602 1.00 0.00 H new ATOM 98 N ASP A 5 108.582 5.822 0.691 1.00 0.00 N ATOM 99 CA ASP A 5 108.042 6.850 -0.259 1.00 0.00 C ATOM 100 C ASP A 5 107.430 6.167 -1.489 1.00 0.00 C ATOM 101 O ASP A 5 106.402 6.584 -1.991 1.00 0.00 O ATOM 102 CB ASP A 5 109.246 7.705 -0.669 1.00 0.00 C ATOM 103 CG ASP A 5 109.766 8.480 0.546 1.00 0.00 C ATOM 104 OD1 ASP A 5 108.950 8.969 1.309 1.00 0.00 O ATOM 105 OD2 ASP A 5 110.974 8.571 0.691 1.00 0.00 O ATOM 0 H ASP A 5 109.592 5.854 0.832 1.00 0.00 H new ATOM 0 HA ASP A 5 107.257 7.452 0.199 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.035 7.070 -1.072 1.00 0.00 H new ATOM 0 HB3 ASP A 5 108.960 8.399 -1.460 1.00 0.00 H new ATOM 110 N PHE A 6 108.058 5.123 -1.972 1.00 0.00 N ATOM 111 CA PHE A 6 107.496 4.376 -3.144 1.00 0.00 C ATOM 112 C PHE A 6 106.238 3.608 -2.724 1.00 0.00 C ATOM 113 O PHE A 6 105.324 3.429 -3.508 1.00 0.00 O ATOM 114 CB PHE A 6 108.598 3.408 -3.582 1.00 0.00 C ATOM 115 CG PHE A 6 109.826 4.100 -4.126 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.881 4.460 -3.252 1.00 0.00 C ATOM 117 CD2 PHE A 6 109.920 4.393 -5.509 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.031 5.110 -3.761 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.071 5.043 -6.018 1.00 0.00 C ATOM 120 CZ PHE A 6 112.126 5.401 -5.144 1.00 0.00 C ATOM 0 H PHE A 6 108.936 4.755 -1.606 1.00 0.00 H new ATOM 0 HA PHE A 6 107.207 5.045 -3.955 1.00 0.00 H new ATOM 0 HB2 PHE A 6 108.886 2.789 -2.732 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.200 2.738 -4.344 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.808 4.239 -2.197 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.114 4.121 -6.175 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.836 5.384 -3.095 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.144 5.265 -7.072 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.004 5.896 -5.532 1.00 0.00 H new ATOM 130 N TYR A 7 106.189 3.154 -1.493 1.00 0.00 N ATOM 131 CA TYR A 7 104.964 2.444 -0.993 1.00 0.00 C ATOM 132 C TYR A 7 103.779 3.415 -0.941 1.00 0.00 C ATOM 133 O TYR A 7 103.891 4.516 -0.434 1.00 0.00 O ATOM 134 CB TYR A 7 105.322 1.957 0.418 1.00 0.00 C ATOM 135 CG TYR A 7 105.923 0.566 0.460 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.853 0.155 -0.529 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.559 -0.323 1.500 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.416 -1.144 -0.475 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.121 -1.622 1.552 1.00 0.00 C ATOM 140 CZ TYR A 7 107.049 -2.032 0.565 1.00 0.00 C ATOM 141 OH TYR A 7 107.600 -3.295 0.621 1.00 0.00 O ATOM 0 H TYR A 7 106.943 3.244 -0.812 1.00 0.00 H new ATOM 0 HA TYR A 7 104.675 1.618 -1.642 1.00 0.00 H new ATOM 0 HB2 TYR A 7 106.026 2.659 0.865 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.423 1.971 1.034 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.132 0.832 -1.323 1.00 0.00 H new ATOM 0 HD2 TYR A 7 104.852 -0.010 2.254 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.125 -1.457 -1.227 1.00 0.00 H new ATOM 0 HE2 TYR A 7 105.841 -2.300 2.345 1.00 0.00 H new ATOM 0 HH TYR A 7 107.241 -3.774 1.397 1.00 0.00 H new ATOM 151 N GLY A 8 102.648 3.009 -1.463 1.00 0.00 N ATOM 152 CA GLY A 8 101.467 3.922 -1.513 1.00 0.00 C ATOM 153 C GLY A 8 101.563 4.863 -2.727 1.00 0.00 C ATOM 154 O GLY A 8 100.714 5.715 -2.917 1.00 0.00 O ATOM 0 H GLY A 8 102.493 2.081 -1.858 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.550 3.336 -1.571 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.414 4.507 -0.595 1.00 0.00 H new ATOM 158 N SER A 9 102.584 4.723 -3.548 1.00 0.00 N ATOM 159 CA SER A 9 102.701 5.592 -4.761 1.00 0.00 C ATOM 160 C SER A 9 101.939 4.965 -5.931 1.00 0.00 C ATOM 161 O SER A 9 101.875 3.757 -6.060 1.00 0.00 O ATOM 162 CB SER A 9 104.199 5.654 -5.068 1.00 0.00 C ATOM 163 OG SER A 9 104.419 6.556 -6.145 1.00 0.00 O ATOM 0 H SER A 9 103.337 4.045 -3.427 1.00 0.00 H new ATOM 0 HA SER A 9 102.280 6.584 -4.599 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.750 5.981 -4.186 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.571 4.663 -5.327 1.00 0.00 H new ATOM 0 HG SER A 9 105.378 6.600 -6.344 1.00 0.00 H new ATOM 169 N ASN A 10 101.363 5.778 -6.783 1.00 0.00 N ATOM 170 CA ASN A 10 100.645 5.232 -7.977 1.00 0.00 C ATOM 171 C ASN A 10 101.601 5.150 -9.167 1.00 0.00 C ATOM 172 O ASN A 10 102.075 6.155 -9.668 1.00 0.00 O ATOM 173 CB ASN A 10 99.521 6.231 -8.264 1.00 0.00 C ATOM 174 CG ASN A 10 98.504 6.205 -7.122 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.826 6.534 -5.998 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.279 5.824 -7.365 1.00 0.00 N ATOM 0 H ASN A 10 101.359 6.795 -6.703 1.00 0.00 H new ATOM 0 HA ASN A 10 100.258 4.228 -7.802 1.00 0.00 H new ATOM 0 HB2 ASN A 10 99.933 7.234 -8.375 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.031 5.982 -9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.592 5.803 -6.611 1.00 0.00 H new ATOM 0 HD22 ASN A 10 97.009 5.548 -8.309 1.00 0.00 H new ATOM 183 N VAL A 11 101.881 3.956 -9.619 1.00 0.00 N ATOM 184 CA VAL A 11 102.775 3.779 -10.803 1.00 0.00 C ATOM 185 C VAL A 11 102.108 2.836 -11.807 1.00 0.00 C ATOM 186 O VAL A 11 101.232 2.069 -11.451 1.00 0.00 O ATOM 187 CB VAL A 11 104.078 3.164 -10.258 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.740 4.145 -9.286 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.783 1.848 -9.522 1.00 0.00 C ATOM 0 H VAL A 11 101.526 3.089 -9.216 1.00 0.00 H new ATOM 0 HA VAL A 11 102.973 4.720 -11.317 1.00 0.00 H new ATOM 0 HB VAL A 11 104.746 2.962 -11.096 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.662 3.709 -8.901 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.968 5.075 -9.807 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.062 4.350 -8.458 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.714 1.426 -9.143 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.107 2.041 -8.689 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.319 1.142 -10.211 1.00 0.00 H new ATOM 199 N GLU A 12 102.510 2.887 -13.053 1.00 0.00 N ATOM 200 CA GLU A 12 102.015 1.884 -14.038 1.00 0.00 C ATOM 201 C GLU A 12 103.201 1.087 -14.583 1.00 0.00 C ATOM 202 O GLU A 12 104.280 1.616 -14.762 1.00 0.00 O ATOM 203 CB GLU A 12 101.346 2.707 -15.145 1.00 0.00 C ATOM 204 CG GLU A 12 100.746 1.775 -16.202 1.00 0.00 C ATOM 205 CD GLU A 12 100.172 2.608 -17.350 1.00 0.00 C ATOM 206 OE1 GLU A 12 99.223 3.336 -17.109 1.00 0.00 O ATOM 207 OE2 GLU A 12 100.690 2.502 -18.449 1.00 0.00 O ATOM 0 H GLU A 12 103.158 3.580 -13.427 1.00 0.00 H new ATOM 0 HA GLU A 12 101.317 1.168 -13.604 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.565 3.338 -14.719 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.076 3.372 -15.607 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.510 1.095 -16.579 1.00 0.00 H new ATOM 0 HG3 GLU A 12 99.963 1.160 -15.758 1.00 0.00 H new ATOM 214 N VAL A 13 103.008 -0.179 -14.840 1.00 0.00 N ATOM 215 CA VAL A 13 104.110 -1.007 -15.413 1.00 0.00 C ATOM 216 C VAL A 13 103.581 -1.827 -16.587 1.00 0.00 C ATOM 217 O VAL A 13 102.471 -2.327 -16.544 1.00 0.00 O ATOM 218 CB VAL A 13 104.576 -1.918 -14.260 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.472 -2.912 -13.872 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.813 -2.701 -14.701 1.00 0.00 C ATOM 0 H VAL A 13 102.133 -0.677 -14.678 1.00 0.00 H new ATOM 0 HA VAL A 13 104.934 -0.404 -15.795 1.00 0.00 H new ATOM 0 HB VAL A 13 104.809 -1.293 -13.398 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.822 -3.545 -13.057 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.586 -2.364 -13.551 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.223 -3.533 -14.732 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.145 -3.346 -13.887 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.567 -3.311 -15.570 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.611 -2.005 -14.960 1.00 0.00 H new ATOM 230 N LEU A 14 104.355 -1.971 -17.631 1.00 0.00 N ATOM 231 CA LEU A 14 103.956 -2.932 -18.702 1.00 0.00 C ATOM 232 C LEU A 14 104.640 -4.267 -18.465 1.00 0.00 C ATOM 233 O LEU A 14 105.817 -4.325 -18.155 1.00 0.00 O ATOM 234 CB LEU A 14 104.411 -2.357 -20.054 1.00 0.00 C ATOM 235 CG LEU A 14 103.990 -0.884 -20.265 1.00 0.00 C ATOM 236 CD1 LEU A 14 103.778 -0.659 -21.765 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.694 -0.540 -19.514 1.00 0.00 C ATOM 0 H LEU A 14 105.232 -1.474 -17.788 1.00 0.00 H new ATOM 0 HA LEU A 14 102.876 -3.079 -18.696 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.496 -2.431 -20.126 1.00 0.00 H new ATOM 0 HB3 LEU A 14 103.996 -2.965 -20.858 1.00 0.00 H new ATOM 0 HG LEU A 14 104.776 -0.239 -19.872 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.480 0.375 -21.939 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.706 -0.864 -22.298 1.00 0.00 H new ATOM 0 HD13 LEU A 14 102.997 -1.328 -22.126 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.437 0.504 -19.691 1.00 0.00 H new ATOM 0 HD22 LEU A 14 101.886 -1.178 -19.871 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.839 -0.702 -18.446 1.00 0.00 H new ATOM 249 N LEU A 15 103.913 -5.341 -18.606 1.00 0.00 N ATOM 250 CA LEU A 15 104.535 -6.686 -18.440 1.00 0.00 C ATOM 251 C LEU A 15 105.185 -7.129 -19.753 1.00 0.00 C ATOM 252 O LEU A 15 105.092 -6.454 -20.761 1.00 0.00 O ATOM 253 CB LEU A 15 103.387 -7.627 -18.058 1.00 0.00 C ATOM 254 CG LEU A 15 102.799 -7.210 -16.706 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.503 -7.982 -16.453 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.801 -7.522 -15.593 1.00 0.00 C ATOM 0 H LEU A 15 102.918 -5.346 -18.828 1.00 0.00 H new ATOM 0 HA LEU A 15 105.317 -6.685 -17.681 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.613 -7.600 -18.825 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.749 -8.654 -18.006 1.00 0.00 H new ATOM 0 HG LEU A 15 102.590 -6.140 -16.718 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.085 -7.685 -15.491 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.787 -7.760 -17.244 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.713 -9.052 -16.443 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.381 -7.225 -14.632 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.011 -8.591 -15.582 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.725 -6.972 -15.771 1.00 0.00 H new ATOM 268 N ASN A 16 105.845 -8.263 -19.742 1.00 0.00 N ATOM 269 CA ASN A 16 106.568 -8.751 -20.969 1.00 0.00 C ATOM 270 C ASN A 16 105.613 -8.902 -22.165 1.00 0.00 C ATOM 271 O ASN A 16 106.037 -8.905 -23.306 1.00 0.00 O ATOM 272 CB ASN A 16 107.169 -10.114 -20.581 1.00 0.00 C ATOM 273 CG ASN A 16 106.062 -11.083 -20.143 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.157 -11.373 -20.900 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.097 -11.595 -18.943 1.00 0.00 N ATOM 0 H ASN A 16 105.917 -8.878 -18.932 1.00 0.00 H new ATOM 0 HA ASN A 16 107.334 -8.041 -21.281 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.713 -10.533 -21.428 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.888 -9.984 -19.772 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.365 -12.238 -18.641 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.856 -11.352 -18.307 1.00 0.00 H new ATOM 282 N ASN A 17 104.333 -9.024 -21.911 1.00 0.00 N ATOM 283 CA ASN A 17 103.355 -9.230 -23.024 1.00 0.00 C ATOM 284 C ASN A 17 102.613 -7.919 -23.346 1.00 0.00 C ATOM 285 O ASN A 17 101.462 -7.946 -23.734 1.00 0.00 O ATOM 286 CB ASN A 17 102.382 -10.305 -22.511 1.00 0.00 C ATOM 287 CG ASN A 17 101.618 -9.811 -21.271 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.041 -8.886 -20.605 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.504 -10.398 -20.933 1.00 0.00 N ATOM 0 H ASN A 17 103.922 -8.990 -20.978 1.00 0.00 H new ATOM 0 HA ASN A 17 103.845 -9.538 -23.948 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.675 -10.566 -23.298 1.00 0.00 H new ATOM 0 HB3 ASN A 17 102.934 -11.212 -22.265 1.00 0.00 H new ATOM 0 HD21 ASN A 17 99.989 -10.081 -20.111 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.147 -11.174 -21.490 1.00 0.00 H new ATOM 296 N ASP A 18 103.260 -6.779 -23.164 1.00 0.00 N ATOM 297 CA ASP A 18 102.739 -5.472 -23.696 1.00 0.00 C ATOM 298 C ASP A 18 101.287 -5.229 -23.250 1.00 0.00 C ATOM 299 O ASP A 18 100.533 -4.544 -23.917 1.00 0.00 O ATOM 300 CB ASP A 18 102.892 -5.514 -25.237 1.00 0.00 C ATOM 301 CG ASP A 18 101.840 -6.407 -25.909 1.00 0.00 C ATOM 302 OD1 ASP A 18 102.106 -7.586 -26.075 1.00 0.00 O ATOM 303 OD2 ASP A 18 100.785 -5.893 -26.244 1.00 0.00 O ATOM 0 H ASP A 18 104.143 -6.703 -22.659 1.00 0.00 H new ATOM 0 HA ASP A 18 103.307 -4.632 -23.296 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.812 -4.502 -25.634 1.00 0.00 H new ATOM 0 HB3 ASP A 18 103.888 -5.878 -25.490 1.00 0.00 H new ATOM 308 N SER A 19 100.898 -5.792 -22.128 1.00 0.00 N ATOM 309 CA SER A 19 99.608 -5.399 -21.494 1.00 0.00 C ATOM 310 C SER A 19 99.906 -4.473 -20.317 1.00 0.00 C ATOM 311 O SER A 19 100.769 -4.757 -19.505 1.00 0.00 O ATOM 312 CB SER A 19 98.980 -6.708 -21.014 1.00 0.00 C ATOM 313 OG SER A 19 99.765 -7.248 -19.958 1.00 0.00 O ATOM 0 H SER A 19 101.424 -6.508 -21.627 1.00 0.00 H new ATOM 0 HA SER A 19 98.939 -4.870 -22.173 1.00 0.00 H new ATOM 0 HB2 SER A 19 97.961 -6.531 -20.671 1.00 0.00 H new ATOM 0 HB3 SER A 19 98.920 -7.419 -21.838 1.00 0.00 H new ATOM 0 HG SER A 19 100.550 -7.699 -20.332 1.00 0.00 H new ATOM 319 N LYS A 20 99.205 -3.376 -20.215 1.00 0.00 N ATOM 320 CA LYS A 20 99.617 -2.315 -19.244 1.00 0.00 C ATOM 321 C LYS A 20 98.622 -2.240 -18.081 1.00 0.00 C ATOM 322 O LYS A 20 97.422 -2.299 -18.275 1.00 0.00 O ATOM 323 CB LYS A 20 99.597 -0.993 -20.036 1.00 0.00 C ATOM 324 CG LYS A 20 100.254 -1.167 -21.416 1.00 0.00 C ATOM 325 CD LYS A 20 100.342 0.192 -22.116 1.00 0.00 C ATOM 326 CE LYS A 20 100.847 -0.003 -23.547 1.00 0.00 C ATOM 327 NZ LYS A 20 100.304 1.157 -24.306 1.00 0.00 N ATOM 0 H LYS A 20 98.368 -3.167 -20.759 1.00 0.00 H new ATOM 0 HA LYS A 20 100.600 -2.522 -18.821 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.568 -0.654 -20.159 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.122 -0.220 -19.474 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.250 -1.596 -21.305 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.673 -1.863 -22.022 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.363 0.672 -22.127 1.00 0.00 H new ATOM 0 HD3 LYS A 20 101.015 0.852 -21.568 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.936 -0.023 -23.582 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.497 -0.947 -23.964 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.607 1.095 -25.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.265 1.146 -24.260 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.660 2.041 -23.890 1.00 0.00 H new ATOM 341 N ALA A 21 99.122 -2.111 -16.875 1.00 0.00 N ATOM 342 CA ALA A 21 98.222 -1.954 -15.689 1.00 0.00 C ATOM 343 C ALA A 21 98.831 -0.961 -14.694 1.00 0.00 C ATOM 344 O ALA A 21 100.037 -0.799 -14.631 1.00 0.00 O ATOM 345 CB ALA A 21 98.136 -3.350 -15.070 1.00 0.00 C ATOM 0 H ALA A 21 100.119 -2.108 -16.661 1.00 0.00 H new ATOM 0 HA ALA A 21 97.240 -1.569 -15.962 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.492 -3.319 -14.191 1.00 0.00 H new ATOM 0 HB2 ALA A 21 97.722 -4.047 -15.799 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.133 -3.680 -14.778 1.00 0.00 H new ATOM 351 N ARG A 22 98.007 -0.298 -13.916 1.00 0.00 N ATOM 352 CA ARG A 22 98.530 0.701 -12.932 1.00 0.00 C ATOM 353 C ARG A 22 97.815 0.540 -11.591 1.00 0.00 C ATOM 354 O ARG A 22 96.745 -0.035 -11.520 1.00 0.00 O ATOM 355 CB ARG A 22 98.239 2.082 -13.546 1.00 0.00 C ATOM 356 CG ARG A 22 96.734 2.248 -13.807 1.00 0.00 C ATOM 357 CD ARG A 22 96.482 3.568 -14.545 1.00 0.00 C ATOM 358 NE ARG A 22 96.354 4.605 -13.470 1.00 0.00 N ATOM 359 CZ ARG A 22 95.794 5.776 -13.708 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.342 6.097 -14.898 1.00 0.00 N ATOM 361 NH2 ARG A 22 95.691 6.641 -12.735 1.00 0.00 N ATOM 0 H ARG A 22 96.993 -0.407 -13.921 1.00 0.00 H new ATOM 0 HA ARG A 22 99.595 0.569 -12.743 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.586 2.866 -12.873 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.791 2.195 -14.479 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.363 1.412 -14.400 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.188 2.237 -12.864 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.303 3.803 -15.222 1.00 0.00 H new ATOM 0 HD3 ARG A 22 95.576 3.514 -15.149 1.00 0.00 H new ATOM 0 HE ARG A 22 96.707 4.401 -12.535 1.00 0.00 H new ATOM 0 HH11 ARG A 22 95.419 5.433 -15.669 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.914 7.010 -15.052 1.00 0.00 H new ATOM 0 HH21 ARG A 22 96.041 6.408 -11.806 1.00 0.00 H new ATOM 0 HH22 ARG A 22 95.260 7.550 -12.904 1.00 0.00 H new ATOM 375 N GLY A 23 98.401 1.038 -10.529 1.00 0.00 N ATOM 376 CA GLY A 23 97.719 0.991 -9.201 1.00 0.00 C ATOM 377 C GLY A 23 98.629 1.604 -8.138 1.00 0.00 C ATOM 378 O GLY A 23 99.677 2.142 -8.446 1.00 0.00 O ATOM 0 H GLY A 23 99.323 1.475 -10.526 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.776 1.536 -9.245 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.480 -0.040 -8.940 1.00 0.00 H new ATOM 382 N VAL A 24 98.238 1.526 -6.889 1.00 0.00 N ATOM 383 CA VAL A 24 99.099 2.065 -5.790 1.00 0.00 C ATOM 384 C VAL A 24 99.960 0.933 -5.216 1.00 0.00 C ATOM 385 O VAL A 24 99.461 -0.121 -4.875 1.00 0.00 O ATOM 386 CB VAL A 24 98.128 2.605 -4.724 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.920 3.210 -3.560 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.228 3.692 -5.328 1.00 0.00 C ATOM 0 H VAL A 24 97.358 1.111 -6.583 1.00 0.00 H new ATOM 0 HA VAL A 24 99.774 2.847 -6.138 1.00 0.00 H new ATOM 0 HB VAL A 24 97.512 1.780 -4.366 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.228 3.591 -2.808 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.554 2.444 -3.114 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.541 4.026 -3.928 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.546 4.066 -4.564 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.845 4.512 -5.696 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.653 3.271 -6.153 1.00 0.00 H new ATOM 398 N ILE A 25 101.246 1.150 -5.110 1.00 0.00 N ATOM 399 CA ILE A 25 102.159 0.072 -4.599 1.00 0.00 C ATOM 400 C ILE A 25 101.865 -0.209 -3.118 1.00 0.00 C ATOM 401 O ILE A 25 101.664 0.702 -2.336 1.00 0.00 O ATOM 402 CB ILE A 25 103.584 0.631 -4.786 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.864 0.816 -6.283 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.623 -0.329 -4.188 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.094 1.706 -6.469 1.00 0.00 C ATOM 0 H ILE A 25 101.708 2.026 -5.354 1.00 0.00 H new ATOM 0 HA ILE A 25 102.028 -0.872 -5.128 1.00 0.00 H new ATOM 0 HB ILE A 25 103.656 1.589 -4.272 1.00 0.00 H new ATOM 0 HG12 ILE A 25 104.029 -0.153 -6.755 1.00 0.00 H new ATOM 0 HG13 ILE A 25 103.000 1.266 -6.772 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.622 0.082 -4.330 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.430 -0.456 -3.123 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.555 -1.296 -4.687 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.291 1.836 -7.533 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.912 2.679 -6.012 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.957 1.238 -5.995 1.00 0.00 H new ATOM 417 N THR A 26 101.840 -1.465 -2.737 1.00 0.00 N ATOM 418 CA THR A 26 101.532 -1.817 -1.315 1.00 0.00 C ATOM 419 C THR A 26 102.635 -2.690 -0.701 1.00 0.00 C ATOM 420 O THR A 26 102.946 -2.553 0.470 1.00 0.00 O ATOM 421 CB THR A 26 100.210 -2.587 -1.368 1.00 0.00 C ATOM 422 OG1 THR A 26 100.327 -3.665 -2.285 1.00 0.00 O ATOM 423 CG2 THR A 26 99.084 -1.651 -1.815 1.00 0.00 C ATOM 0 H THR A 26 102.020 -2.260 -3.350 1.00 0.00 H new ATOM 0 HA THR A 26 101.467 -0.925 -0.692 1.00 0.00 H new ATOM 0 HB THR A 26 99.979 -2.977 -0.377 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.455 -3.312 -3.190 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.145 -2.203 -1.851 1.00 0.00 H new ATOM 0 HG22 THR A 26 98.993 -0.827 -1.107 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.311 -1.256 -2.805 1.00 0.00 H new ATOM 431 N ASN A 27 103.233 -3.583 -1.464 1.00 0.00 N ATOM 432 CA ASN A 27 104.205 -4.545 -0.855 1.00 0.00 C ATOM 433 C ASN A 27 105.433 -4.727 -1.749 1.00 0.00 C ATOM 434 O ASN A 27 105.346 -4.652 -2.960 1.00 0.00 O ATOM 435 CB ASN A 27 103.435 -5.860 -0.735 1.00 0.00 C ATOM 436 CG ASN A 27 104.185 -6.807 0.205 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.233 -6.584 1.398 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.777 -7.860 -0.287 1.00 0.00 N ATOM 0 H ASN A 27 103.090 -3.684 -2.469 1.00 0.00 H new ATOM 0 HA ASN A 27 104.574 -4.190 0.107 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.431 -5.672 -0.354 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.323 -6.319 -1.717 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.281 -8.497 0.330 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.736 -8.047 -1.289 1.00 0.00 H new ATOM 445 N PHE A 28 106.575 -4.962 -1.152 1.00 0.00 N ATOM 446 CA PHE A 28 107.796 -5.307 -1.938 1.00 0.00 C ATOM 447 C PHE A 28 108.696 -6.232 -1.113 1.00 0.00 C ATOM 448 O PHE A 28 108.986 -5.961 0.038 1.00 0.00 O ATOM 449 CB PHE A 28 108.492 -3.973 -2.206 1.00 0.00 C ATOM 450 CG PHE A 28 109.636 -4.079 -3.187 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.374 -4.341 -4.553 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.970 -3.917 -2.740 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.445 -4.441 -5.473 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.042 -4.016 -3.660 1.00 0.00 C ATOM 455 CZ PHE A 28 111.780 -4.278 -5.027 1.00 0.00 C ATOM 0 H PHE A 28 106.713 -4.929 -0.142 1.00 0.00 H new ATOM 0 HA PHE A 28 107.561 -5.829 -2.866 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.761 -3.261 -2.588 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.867 -3.572 -1.264 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.357 -4.465 -4.893 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.170 -3.718 -1.697 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.245 -4.642 -6.515 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.059 -3.892 -3.319 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.597 -4.353 -5.729 1.00 0.00 H new ATOM 465 N ASP A 29 109.137 -7.318 -1.696 1.00 0.00 N ATOM 466 CA ASP A 29 109.960 -8.309 -0.936 1.00 0.00 C ATOM 467 C ASP A 29 111.313 -8.503 -1.623 1.00 0.00 C ATOM 468 O ASP A 29 111.378 -8.872 -2.780 1.00 0.00 O ATOM 469 CB ASP A 29 109.149 -9.605 -0.970 1.00 0.00 C ATOM 470 CG ASP A 29 109.751 -10.614 0.010 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.964 -10.750 0.021 1.00 0.00 O ATOM 472 OD2 ASP A 29 108.989 -11.234 0.733 1.00 0.00 O ATOM 0 H ASP A 29 108.962 -7.562 -2.671 1.00 0.00 H new ATOM 0 HA ASP A 29 110.164 -7.984 0.084 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.111 -9.403 -0.707 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.148 -10.019 -1.978 1.00 0.00 H new ATOM 477 N SER A 30 112.387 -8.257 -0.915 1.00 0.00 N ATOM 478 CA SER A 30 113.749 -8.406 -1.523 1.00 0.00 C ATOM 479 C SER A 30 114.084 -9.886 -1.755 1.00 0.00 C ATOM 480 O SER A 30 114.871 -10.217 -2.624 1.00 0.00 O ATOM 481 CB SER A 30 114.717 -7.795 -0.508 1.00 0.00 C ATOM 482 OG SER A 30 114.749 -8.607 0.659 1.00 0.00 O ATOM 0 H SER A 30 112.381 -7.959 0.060 1.00 0.00 H new ATOM 0 HA SER A 30 113.810 -7.914 -2.494 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.715 -7.720 -0.940 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.403 -6.783 -0.252 1.00 0.00 H new ATOM 0 HG SER A 30 115.370 -8.219 1.311 1.00 0.00 H new ATOM 488 N SER A 31 113.496 -10.776 -0.989 1.00 0.00 N ATOM 489 CA SER A 31 113.834 -12.235 -1.117 1.00 0.00 C ATOM 490 C SER A 31 113.491 -12.752 -2.520 1.00 0.00 C ATOM 491 O SER A 31 114.298 -13.396 -3.164 1.00 0.00 O ATOM 492 CB SER A 31 112.979 -12.945 -0.066 1.00 0.00 C ATOM 493 OG SER A 31 113.210 -12.354 1.205 1.00 0.00 O ATOM 0 H SER A 31 112.796 -10.557 -0.280 1.00 0.00 H new ATOM 0 HA SER A 31 114.899 -12.414 -0.967 1.00 0.00 H new ATOM 0 HB2 SER A 31 111.924 -12.870 -0.328 1.00 0.00 H new ATOM 0 HB3 SER A 31 113.226 -14.006 -0.037 1.00 0.00 H new ATOM 0 HG SER A 31 112.548 -11.649 1.363 1.00 0.00 H new ATOM 499 N ASN A 32 112.300 -12.473 -2.993 1.00 0.00 N ATOM 500 CA ASN A 32 111.897 -12.939 -4.359 1.00 0.00 C ATOM 501 C ASN A 32 111.451 -11.760 -5.242 1.00 0.00 C ATOM 502 O ASN A 32 110.918 -11.961 -6.317 1.00 0.00 O ATOM 503 CB ASN A 32 110.728 -13.896 -4.120 1.00 0.00 C ATOM 504 CG ASN A 32 111.226 -15.144 -3.386 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.319 -15.614 -3.632 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.463 -15.704 -2.486 1.00 0.00 N ATOM 0 H ASN A 32 111.588 -11.942 -2.492 1.00 0.00 H new ATOM 0 HA ASN A 32 112.727 -13.416 -4.881 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.954 -13.401 -3.533 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.275 -14.178 -5.071 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.785 -16.535 -1.990 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.545 -15.310 -2.279 1.00 0.00 H new ATOM 513 N SER A 33 111.661 -10.533 -4.800 1.00 0.00 N ATOM 514 CA SER A 33 111.224 -9.330 -5.593 1.00 0.00 C ATOM 515 C SER A 33 109.746 -9.449 -6.006 1.00 0.00 C ATOM 516 O SER A 33 109.423 -9.578 -7.173 1.00 0.00 O ATOM 517 CB SER A 33 112.138 -9.300 -6.824 1.00 0.00 C ATOM 518 OG SER A 33 113.487 -9.472 -6.412 1.00 0.00 O ATOM 0 H SER A 33 112.121 -10.314 -3.916 1.00 0.00 H new ATOM 0 HA SER A 33 111.303 -8.412 -5.010 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.855 -10.089 -7.521 1.00 0.00 H new ATOM 0 HB3 SER A 33 112.025 -8.353 -7.352 1.00 0.00 H new ATOM 0 HG SER A 33 114.073 -9.455 -7.197 1.00 0.00 H new ATOM 524 N ILE A 34 108.852 -9.406 -5.047 1.00 0.00 N ATOM 525 CA ILE A 34 107.393 -9.532 -5.363 1.00 0.00 C ATOM 526 C ILE A 34 106.675 -8.222 -5.021 1.00 0.00 C ATOM 527 O ILE A 34 106.850 -7.673 -3.949 1.00 0.00 O ATOM 528 CB ILE A 34 106.873 -10.686 -4.486 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.716 -11.964 -4.705 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.407 -10.975 -4.828 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.660 -12.430 -6.172 1.00 0.00 C ATOM 0 H ILE A 34 109.070 -9.289 -4.057 1.00 0.00 H new ATOM 0 HA ILE A 34 107.216 -9.732 -6.420 1.00 0.00 H new ATOM 0 HB ILE A 34 106.955 -10.389 -3.441 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.751 -11.772 -4.422 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.350 -12.759 -4.055 1.00 0.00 H new ATOM 0 HG21 ILE A 34 105.042 -11.792 -4.206 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.808 -10.083 -4.644 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.327 -11.255 -5.878 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.263 -13.330 -6.291 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.627 -12.646 -6.446 1.00 0.00 H new ATOM 0 HD13 ILE A 34 108.050 -11.644 -6.819 1.00 0.00 H new ATOM 543 N LEU A 35 105.869 -7.724 -5.927 1.00 0.00 N ATOM 544 CA LEU A 35 105.223 -6.389 -5.723 1.00 0.00 C ATOM 545 C LEU A 35 103.701 -6.518 -5.803 1.00 0.00 C ATOM 546 O LEU A 35 103.162 -7.006 -6.780 1.00 0.00 O ATOM 547 CB LEU A 35 105.754 -5.530 -6.874 1.00 0.00 C ATOM 548 CG LEU A 35 105.281 -4.083 -6.708 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.232 -3.336 -5.772 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.269 -3.396 -8.076 1.00 0.00 C ATOM 0 H LEU A 35 105.630 -8.187 -6.804 1.00 0.00 H new ATOM 0 HA LEU A 35 105.448 -5.958 -4.747 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.843 -5.565 -6.893 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.406 -5.928 -7.827 1.00 0.00 H new ATOM 0 HG LEU A 35 104.277 -4.075 -6.284 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.894 -2.306 -5.655 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.244 -3.826 -4.799 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.237 -3.342 -6.194 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.933 -2.365 -7.963 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.274 -3.405 -8.497 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.591 -3.927 -8.744 1.00 0.00 H new ATOM 562 N GLN A 36 103.010 -6.080 -4.780 1.00 0.00 N ATOM 563 CA GLN A 36 101.521 -6.044 -4.835 1.00 0.00 C ATOM 564 C GLN A 36 101.050 -4.629 -5.170 1.00 0.00 C ATOM 565 O GLN A 36 101.458 -3.668 -4.543 1.00 0.00 O ATOM 566 CB GLN A 36 101.057 -6.448 -3.434 1.00 0.00 C ATOM 567 CG GLN A 36 101.311 -7.942 -3.223 1.00 0.00 C ATOM 568 CD GLN A 36 100.759 -8.366 -1.861 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.582 -8.544 -0.863 1.00 0.00 O flip ATOM 570 NE2 GLN A 36 99.567 -8.539 -1.703 1.00 0.00 N flip ATOM 0 H GLN A 36 103.417 -5.745 -3.907 1.00 0.00 H new ATOM 0 HA GLN A 36 101.117 -6.708 -5.599 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.591 -5.868 -2.681 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.996 -6.228 -3.313 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.834 -8.518 -4.016 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.379 -8.151 -3.275 1.00 0.00 H new ATOM 0 HE21 GLN A 36 98.924 -8.400 -2.482 1.00 0.00 H new ATOM 0 HE22 GLN A 36 99.209 -8.823 -0.791 1.00 0.00 H new ATOM 579 N LEU A 37 100.199 -4.498 -6.158 1.00 0.00 N ATOM 580 CA LEU A 37 99.670 -3.151 -6.531 1.00 0.00 C ATOM 581 C LEU A 37 98.185 -3.058 -6.178 1.00 0.00 C ATOM 582 O LEU A 37 97.374 -3.825 -6.664 1.00 0.00 O ATOM 583 CB LEU A 37 99.869 -3.045 -8.044 1.00 0.00 C ATOM 584 CG LEU A 37 101.364 -3.024 -8.371 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.565 -3.326 -9.857 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.938 -1.641 -8.053 1.00 0.00 C ATOM 0 H LEU A 37 99.847 -5.270 -6.724 1.00 0.00 H new ATOM 0 HA LEU A 37 100.178 -2.346 -6.000 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.390 -3.888 -8.543 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.393 -2.140 -8.420 1.00 0.00 H new ATOM 0 HG LEU A 37 101.876 -3.777 -7.772 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.630 -3.311 -10.091 1.00 0.00 H new ATOM 0 HD12 LEU A 37 101.157 -4.310 -10.087 1.00 0.00 H new ATOM 0 HD13 LEU A 37 101.052 -2.572 -10.454 1.00 0.00 H new ATOM 0 HD21 LEU A 37 103.003 -1.627 -8.286 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.425 -0.888 -8.651 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.795 -1.422 -6.995 1.00 0.00 H new ATOM 598 N ARG A 38 97.827 -2.120 -5.335 1.00 0.00 N ATOM 599 CA ARG A 38 96.387 -1.948 -4.961 1.00 0.00 C ATOM 600 C ARG A 38 95.795 -0.744 -5.701 1.00 0.00 C ATOM 601 O ARG A 38 96.269 0.366 -5.568 1.00 0.00 O ATOM 602 CB ARG A 38 96.397 -1.705 -3.450 1.00 0.00 C ATOM 603 CG ARG A 38 94.960 -1.705 -2.921 1.00 0.00 C ATOM 604 CD ARG A 38 94.976 -1.493 -1.404 1.00 0.00 C ATOM 605 NE ARG A 38 95.449 -0.086 -1.212 1.00 0.00 N ATOM 606 CZ ARG A 38 94.655 0.946 -1.427 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.417 0.791 -1.837 1.00 0.00 N ATOM 608 NH2 ARG A 38 95.114 2.152 -1.231 1.00 0.00 N ATOM 0 H ARG A 38 98.470 -1.465 -4.889 1.00 0.00 H new ATOM 0 HA ARG A 38 95.780 -2.814 -5.227 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.979 -2.479 -2.951 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.877 -0.752 -3.228 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.383 -0.916 -3.403 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.472 -2.649 -3.162 1.00 0.00 H new ATOM 0 HD2 ARG A 38 93.984 -1.638 -0.975 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.642 -2.203 -0.914 1.00 0.00 H new ATOM 0 HE ARG A 38 96.408 0.079 -0.908 1.00 0.00 H new ATOM 0 HH11 ARG A 38 93.046 -0.146 -1.997 1.00 0.00 H new ATOM 0 HH12 ARG A 38 92.826 1.607 -1.995 1.00 0.00 H new ATOM 0 HH21 ARG A 38 96.075 2.287 -0.916 1.00 0.00 H new ATOM 0 HH22 ARG A 38 94.512 2.959 -1.393 1.00 0.00 H new ATOM 622 N LEU A 39 94.762 -0.962 -6.475 1.00 0.00 N ATOM 623 CA LEU A 39 94.213 0.135 -7.330 1.00 0.00 C ATOM 624 C LEU A 39 92.941 0.728 -6.702 1.00 0.00 C ATOM 625 O LEU A 39 92.233 0.067 -5.961 1.00 0.00 O ATOM 626 CB LEU A 39 93.916 -0.539 -8.676 1.00 0.00 C ATOM 627 CG LEU A 39 93.351 0.467 -9.693 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.361 1.588 -9.968 1.00 0.00 C ATOM 629 CD2 LEU A 39 93.068 -0.267 -11.001 1.00 0.00 C ATOM 0 H LEU A 39 94.274 -1.854 -6.552 1.00 0.00 H new ATOM 0 HA LEU A 39 94.906 0.969 -7.439 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.829 -0.985 -9.071 1.00 0.00 H new ATOM 0 HB3 LEU A 39 93.203 -1.350 -8.529 1.00 0.00 H new ATOM 0 HG LEU A 39 92.440 0.905 -9.286 1.00 0.00 H new ATOM 0 HD11 LEU A 39 93.940 2.288 -10.690 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.582 2.114 -9.039 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.279 1.160 -10.370 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.666 0.434 -11.732 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.993 -0.700 -11.383 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.342 -1.061 -10.823 1.00 0.00 H new ATOM 641 N ALA A 40 92.655 1.974 -7.009 1.00 0.00 N ATOM 642 CA ALA A 40 91.547 2.710 -6.309 1.00 0.00 C ATOM 643 C ALA A 40 90.168 2.097 -6.607 1.00 0.00 C ATOM 644 O ALA A 40 89.177 2.500 -6.026 1.00 0.00 O ATOM 645 CB ALA A 40 91.612 4.141 -6.848 1.00 0.00 C ATOM 0 H ALA A 40 93.145 2.517 -7.720 1.00 0.00 H new ATOM 0 HA ALA A 40 91.672 2.660 -5.227 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.831 4.741 -6.382 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.586 4.572 -6.619 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.465 4.130 -7.928 1.00 0.00 H new ATOM 651 N ASN A 41 90.086 1.134 -7.499 1.00 0.00 N ATOM 652 CA ASN A 41 88.787 0.428 -7.736 1.00 0.00 C ATOM 653 C ASN A 41 88.611 -0.744 -6.750 1.00 0.00 C ATOM 654 O ASN A 41 87.989 -1.738 -7.080 1.00 0.00 O ATOM 655 CB ASN A 41 88.877 -0.097 -9.172 1.00 0.00 C ATOM 656 CG ASN A 41 88.873 1.080 -10.149 1.00 0.00 C ATOM 657 OD1 ASN A 41 89.746 1.193 -10.986 1.00 0.00 O ATOM 658 ND2 ASN A 41 87.920 1.969 -10.078 1.00 0.00 N ATOM 0 H ASN A 41 90.864 0.808 -8.072 1.00 0.00 H new ATOM 0 HA ASN A 41 87.934 1.091 -7.589 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.786 -0.685 -9.299 1.00 0.00 H new ATOM 0 HB3 ASN A 41 88.037 -0.759 -9.381 1.00 0.00 H new ATOM 0 HD21 ASN A 41 87.909 2.758 -10.725 1.00 0.00 H new ATOM 0 HD22 ASN A 41 87.186 1.875 -9.376 1.00 0.00 H new ATOM 665 N ASP A 42 89.158 -0.645 -5.545 1.00 0.00 N ATOM 666 CA ASP A 42 88.975 -1.724 -4.512 1.00 0.00 C ATOM 667 C ASP A 42 89.486 -3.068 -5.045 1.00 0.00 C ATOM 668 O ASP A 42 88.999 -4.117 -4.663 1.00 0.00 O ATOM 669 CB ASP A 42 87.465 -1.793 -4.225 1.00 0.00 C ATOM 670 CG ASP A 42 86.993 -0.468 -3.619 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.700 0.062 -2.778 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.932 -0.008 -4.006 1.00 0.00 O ATOM 0 H ASP A 42 89.726 0.145 -5.237 1.00 0.00 H new ATOM 0 HA ASP A 42 89.539 -1.505 -3.605 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.919 -1.998 -5.146 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.253 -2.613 -3.540 1.00 0.00 H new ATOM 677 N SER A 43 90.464 -3.044 -5.929 1.00 0.00 N ATOM 678 CA SER A 43 91.041 -4.322 -6.448 1.00 0.00 C ATOM 679 C SER A 43 92.546 -4.367 -6.173 1.00 0.00 C ATOM 680 O SER A 43 93.244 -3.383 -6.339 1.00 0.00 O ATOM 681 CB SER A 43 90.768 -4.299 -7.951 1.00 0.00 C ATOM 682 OG SER A 43 89.364 -4.280 -8.173 1.00 0.00 O ATOM 0 H SER A 43 90.882 -2.195 -6.309 1.00 0.00 H new ATOM 0 HA SER A 43 90.604 -5.199 -5.971 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.231 -3.422 -8.403 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.211 -5.174 -8.426 1.00 0.00 H new ATOM 0 HG SER A 43 89.010 -3.393 -7.952 1.00 0.00 H new ATOM 688 N THR A 44 93.047 -5.504 -5.754 1.00 0.00 N ATOM 689 CA THR A 44 94.509 -5.631 -5.466 1.00 0.00 C ATOM 690 C THR A 44 95.080 -6.868 -6.168 1.00 0.00 C ATOM 691 O THR A 44 94.419 -7.884 -6.285 1.00 0.00 O ATOM 692 CB THR A 44 94.612 -5.761 -3.936 1.00 0.00 C ATOM 693 OG1 THR A 44 95.980 -5.871 -3.565 1.00 0.00 O ATOM 694 CG2 THR A 44 93.848 -6.999 -3.446 1.00 0.00 C ATOM 0 H THR A 44 92.503 -6.353 -5.599 1.00 0.00 H new ATOM 0 HA THR A 44 95.079 -4.776 -5.830 1.00 0.00 H new ATOM 0 HB THR A 44 94.172 -4.876 -3.477 1.00 0.00 H new ATOM 0 HG1 THR A 44 96.049 -5.952 -2.591 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.933 -7.073 -2.362 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.797 -6.911 -3.723 1.00 0.00 H new ATOM 0 HG23 THR A 44 94.271 -7.893 -3.905 1.00 0.00 H new ATOM 702 N LYS A 45 96.302 -6.786 -6.633 1.00 0.00 N ATOM 703 CA LYS A 45 96.919 -7.943 -7.349 1.00 0.00 C ATOM 704 C LYS A 45 98.392 -8.090 -6.965 1.00 0.00 C ATOM 705 O LYS A 45 99.097 -7.113 -6.792 1.00 0.00 O ATOM 706 CB LYS A 45 96.783 -7.610 -8.835 1.00 0.00 C ATOM 707 CG LYS A 45 95.333 -7.822 -9.271 1.00 0.00 C ATOM 708 CD LYS A 45 95.216 -7.609 -10.781 1.00 0.00 C ATOM 709 CE LYS A 45 93.748 -7.717 -11.199 1.00 0.00 C ATOM 710 NZ LYS A 45 93.709 -7.204 -12.597 1.00 0.00 N ATOM 0 H LYS A 45 96.900 -5.964 -6.547 1.00 0.00 H new ATOM 0 HA LYS A 45 96.434 -8.885 -7.095 1.00 0.00 H new ATOM 0 HB2 LYS A 45 97.082 -6.578 -9.017 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.448 -8.243 -9.423 1.00 0.00 H new ATOM 0 HG2 LYS A 45 95.007 -8.829 -9.009 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.679 -7.128 -8.744 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.612 -6.630 -11.053 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.812 -8.352 -11.311 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.397 -8.748 -11.146 1.00 0.00 H new ATOM 0 HE3 LYS A 45 93.106 -7.128 -10.544 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.733 -7.246 -12.955 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 94.042 -6.219 -12.615 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 94.324 -7.788 -13.199 1.00 0.00 H new ATOM 724 N SER A 46 98.856 -9.309 -6.832 1.00 0.00 N ATOM 725 CA SER A 46 100.295 -9.540 -6.509 1.00 0.00 C ATOM 726 C SER A 46 101.046 -9.985 -7.765 1.00 0.00 C ATOM 727 O SER A 46 100.735 -11.005 -8.353 1.00 0.00 O ATOM 728 CB SER A 46 100.292 -10.654 -5.462 1.00 0.00 C ATOM 729 OG SER A 46 99.831 -11.859 -6.058 1.00 0.00 O ATOM 0 H SER A 46 98.296 -10.156 -6.934 1.00 0.00 H new ATOM 0 HA SER A 46 100.789 -8.640 -6.142 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.296 -10.794 -5.061 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.650 -10.380 -4.625 1.00 0.00 H new ATOM 0 HG SER A 46 100.121 -11.893 -6.994 1.00 0.00 H new ATOM 735 N ILE A 47 102.033 -9.226 -8.179 1.00 0.00 N ATOM 736 CA ILE A 47 102.793 -9.580 -9.418 1.00 0.00 C ATOM 737 C ILE A 47 104.294 -9.569 -9.116 1.00 0.00 C ATOM 738 O ILE A 47 104.813 -8.618 -8.560 1.00 0.00 O ATOM 739 CB ILE A 47 102.431 -8.493 -10.446 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.917 -8.498 -10.699 1.00 0.00 C ATOM 741 CG2 ILE A 47 103.157 -8.765 -11.768 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.523 -7.240 -11.476 1.00 0.00 C ATOM 0 H ILE A 47 102.345 -8.375 -7.711 1.00 0.00 H new ATOM 0 HA ILE A 47 102.545 -10.573 -9.792 1.00 0.00 H new ATOM 0 HB ILE A 47 102.734 -7.523 -10.053 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.635 -9.388 -11.261 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.380 -8.536 -9.751 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.897 -7.992 -12.492 1.00 0.00 H new ATOM 0 HG22 ILE A 47 104.234 -8.757 -11.600 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.857 -9.739 -12.154 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.448 -7.245 -11.655 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.791 -6.356 -10.897 1.00 0.00 H new ATOM 0 HD13 ILE A 47 101.050 -7.222 -12.430 1.00 0.00 H new ATOM 754 N VAL A 48 104.991 -10.618 -9.478 1.00 0.00 N ATOM 755 CA VAL A 48 106.466 -10.661 -9.232 1.00 0.00 C ATOM 756 C VAL A 48 107.165 -9.690 -10.191 1.00 0.00 C ATOM 757 O VAL A 48 106.848 -9.629 -11.361 1.00 0.00 O ATOM 758 CB VAL A 48 106.908 -12.111 -9.500 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.392 -12.274 -9.139 1.00 0.00 C ATOM 760 CG2 VAL A 48 106.057 -13.091 -8.668 1.00 0.00 C ATOM 0 H VAL A 48 104.603 -11.445 -9.932 1.00 0.00 H new ATOM 0 HA VAL A 48 106.722 -10.366 -8.215 1.00 0.00 H new ATOM 0 HB VAL A 48 106.766 -12.334 -10.557 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.702 -13.301 -9.330 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.991 -11.595 -9.746 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.538 -12.041 -8.084 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.380 -14.113 -8.867 1.00 0.00 H new ATOM 0 HG22 VAL A 48 106.181 -12.871 -7.608 1.00 0.00 H new ATOM 0 HG23 VAL A 48 105.007 -12.983 -8.940 1.00 0.00 H new ATOM 770 N THR A 49 108.115 -8.937 -9.697 1.00 0.00 N ATOM 771 CA THR A 49 108.732 -7.847 -10.528 1.00 0.00 C ATOM 772 C THR A 49 109.425 -8.418 -11.771 1.00 0.00 C ATOM 773 O THR A 49 109.587 -7.731 -12.764 1.00 0.00 O ATOM 774 CB THR A 49 109.757 -7.144 -9.624 1.00 0.00 C ATOM 775 OG1 THR A 49 110.756 -8.073 -9.220 1.00 0.00 O ATOM 776 CG2 THR A 49 109.061 -6.556 -8.389 1.00 0.00 C ATOM 0 H THR A 49 108.493 -9.027 -8.754 1.00 0.00 H new ATOM 0 HA THR A 49 107.968 -7.156 -10.884 1.00 0.00 H new ATOM 0 HB THR A 49 110.224 -6.333 -10.182 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.357 -8.746 -8.629 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.798 -6.061 -7.757 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.309 -5.832 -8.705 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.580 -7.356 -7.827 1.00 0.00 H new ATOM 784 N LYS A 50 109.835 -9.663 -11.729 1.00 0.00 N ATOM 785 CA LYS A 50 110.609 -10.245 -12.878 1.00 0.00 C ATOM 786 C LYS A 50 109.793 -10.178 -14.175 1.00 0.00 C ATOM 787 O LYS A 50 110.348 -10.148 -15.258 1.00 0.00 O ATOM 788 CB LYS A 50 110.890 -11.708 -12.499 1.00 0.00 C ATOM 789 CG LYS A 50 111.776 -11.780 -11.246 1.00 0.00 C ATOM 790 CD LYS A 50 111.903 -13.239 -10.798 1.00 0.00 C ATOM 791 CE LYS A 50 112.660 -13.301 -9.469 1.00 0.00 C ATOM 792 NZ LYS A 50 112.272 -14.607 -8.868 1.00 0.00 N ATOM 0 H LYS A 50 109.669 -10.302 -10.952 1.00 0.00 H new ATOM 0 HA LYS A 50 111.530 -9.690 -13.055 1.00 0.00 H new ATOM 0 HB2 LYS A 50 109.950 -12.229 -12.317 1.00 0.00 H new ATOM 0 HB3 LYS A 50 111.381 -12.217 -13.328 1.00 0.00 H new ATOM 0 HG2 LYS A 50 112.762 -11.366 -11.459 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.344 -11.178 -10.446 1.00 0.00 H new ATOM 0 HD2 LYS A 50 110.914 -13.684 -10.686 1.00 0.00 H new ATOM 0 HD3 LYS A 50 112.430 -13.819 -11.556 1.00 0.00 H new ATOM 0 HE2 LYS A 50 113.737 -13.242 -9.625 1.00 0.00 H new ATOM 0 HE3 LYS A 50 112.386 -12.470 -8.819 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 112.751 -14.724 -7.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 111.242 -14.631 -8.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 112.551 -15.379 -9.506 1.00 0.00 H new ATOM 806 N ASP A 51 108.485 -10.154 -14.075 1.00 0.00 N ATOM 807 CA ASP A 51 107.647 -10.002 -15.307 1.00 0.00 C ATOM 808 C ASP A 51 107.410 -8.516 -15.642 1.00 0.00 C ATOM 809 O ASP A 51 106.594 -8.198 -16.488 1.00 0.00 O ATOM 810 CB ASP A 51 106.320 -10.726 -15.012 1.00 0.00 C ATOM 811 CG ASP A 51 105.612 -10.115 -13.795 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.429 -8.910 -13.775 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.260 -10.871 -12.905 1.00 0.00 O ATOM 0 H ASP A 51 107.965 -10.232 -13.201 1.00 0.00 H new ATOM 0 HA ASP A 51 108.145 -10.430 -16.177 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.668 -10.665 -15.883 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.512 -11.784 -14.831 1.00 0.00 H new ATOM 818 N ILE A 52 108.110 -7.605 -14.992 1.00 0.00 N ATOM 819 CA ILE A 52 108.009 -6.162 -15.390 1.00 0.00 C ATOM 820 C ILE A 52 108.821 -5.917 -16.667 1.00 0.00 C ATOM 821 O ILE A 52 110.034 -6.011 -16.666 1.00 0.00 O ATOM 822 CB ILE A 52 108.594 -5.359 -14.213 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.714 -5.561 -12.968 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.655 -3.858 -14.571 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.359 -4.874 -11.757 1.00 0.00 C ATOM 0 H ILE A 52 108.739 -7.799 -14.213 1.00 0.00 H new ATOM 0 HA ILE A 52 106.980 -5.866 -15.597 1.00 0.00 H new ATOM 0 HB ILE A 52 109.604 -5.712 -14.007 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.720 -5.150 -13.144 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.588 -6.625 -12.769 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.070 -3.300 -13.732 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.288 -3.718 -15.448 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.650 -3.494 -14.787 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.731 -5.021 -10.878 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.343 -5.305 -11.576 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.461 -3.807 -11.956 1.00 0.00 H new ATOM 837 N LYS A 53 108.153 -5.608 -17.752 1.00 0.00 N ATOM 838 CA LYS A 53 108.885 -5.178 -18.985 1.00 0.00 C ATOM 839 C LYS A 53 109.256 -3.696 -18.885 1.00 0.00 C ATOM 840 O LYS A 53 110.331 -3.291 -19.290 1.00 0.00 O ATOM 841 CB LYS A 53 107.913 -5.412 -20.144 1.00 0.00 C ATOM 842 CG LYS A 53 108.613 -5.124 -21.477 1.00 0.00 C ATOM 843 CD LYS A 53 109.622 -6.235 -21.776 1.00 0.00 C ATOM 844 CE LYS A 53 110.256 -5.991 -23.147 1.00 0.00 C ATOM 845 NZ LYS A 53 111.478 -6.844 -23.162 1.00 0.00 N ATOM 0 H LYS A 53 107.137 -5.635 -17.837 1.00 0.00 H new ATOM 0 HA LYS A 53 109.813 -5.733 -19.124 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.554 -6.441 -20.127 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.041 -4.768 -20.034 1.00 0.00 H new ATOM 0 HG2 LYS A 53 107.878 -5.061 -22.279 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.120 -4.160 -21.432 1.00 0.00 H new ATOM 0 HD2 LYS A 53 110.393 -6.258 -21.006 1.00 0.00 H new ATOM 0 HD3 LYS A 53 109.126 -7.206 -21.760 1.00 0.00 H new ATOM 0 HE2 LYS A 53 109.574 -6.264 -23.952 1.00 0.00 H new ATOM 0 HE3 LYS A 53 110.507 -4.939 -23.285 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 111.969 -6.731 -24.072 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 112.112 -6.557 -22.389 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 111.208 -7.840 -23.036 1.00 0.00 H new ATOM 859 N ASP A 54 108.374 -2.886 -18.348 1.00 0.00 N ATOM 860 CA ASP A 54 108.624 -1.404 -18.336 1.00 0.00 C ATOM 861 C ASP A 54 107.890 -0.737 -17.170 1.00 0.00 C ATOM 862 O ASP A 54 106.812 -1.149 -16.792 1.00 0.00 O ATOM 863 CB ASP A 54 108.076 -0.889 -19.668 1.00 0.00 C ATOM 864 CG ASP A 54 108.986 -1.342 -20.813 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.187 -1.169 -20.691 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.465 -1.854 -21.789 1.00 0.00 O ATOM 0 H ASP A 54 107.497 -3.182 -17.920 1.00 0.00 H new ATOM 0 HA ASP A 54 109.683 -1.179 -18.212 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.065 -1.264 -19.825 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.013 0.199 -19.650 1.00 0.00 H new ATOM 871 N LEU A 55 108.473 0.296 -16.604 1.00 0.00 N ATOM 872 CA LEU A 55 107.858 0.960 -15.412 1.00 0.00 C ATOM 873 C LEU A 55 107.688 2.464 -15.652 1.00 0.00 C ATOM 874 O LEU A 55 108.511 3.094 -16.292 1.00 0.00 O ATOM 875 CB LEU A 55 108.851 0.729 -14.271 1.00 0.00 C ATOM 876 CG LEU A 55 108.781 -0.726 -13.805 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.128 -1.141 -13.206 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.690 -0.871 -12.741 1.00 0.00 C ATOM 0 H LEU A 55 109.351 0.708 -16.919 1.00 0.00 H new ATOM 0 HA LEU A 55 106.869 0.557 -15.196 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.862 0.965 -14.604 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.625 1.397 -13.440 1.00 0.00 H new ATOM 0 HG LEU A 55 108.549 -1.365 -14.657 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.075 -2.178 -12.875 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.908 -1.040 -13.961 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.361 -0.500 -12.356 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.641 -1.908 -12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.923 -0.229 -11.891 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.729 -0.579 -13.164 1.00 0.00 H new ATOM 890 N ARG A 56 106.626 3.039 -15.142 1.00 0.00 N ATOM 891 CA ARG A 56 106.474 4.528 -15.178 1.00 0.00 C ATOM 892 C ARG A 56 105.688 5.009 -13.950 1.00 0.00 C ATOM 893 O ARG A 56 104.970 4.248 -13.328 1.00 0.00 O ATOM 894 CB ARG A 56 105.712 4.831 -16.479 1.00 0.00 C ATOM 895 CG ARG A 56 104.302 4.228 -16.430 1.00 0.00 C ATOM 896 CD ARG A 56 103.529 4.601 -17.700 1.00 0.00 C ATOM 897 NE ARG A 56 104.149 3.787 -18.794 1.00 0.00 N ATOM 898 CZ ARG A 56 105.112 4.263 -19.565 1.00 0.00 C ATOM 899 NH1 ARG A 56 105.613 5.466 -19.393 1.00 0.00 N ATOM 900 NH2 ARG A 56 105.586 3.510 -20.520 1.00 0.00 N ATOM 0 H ARG A 56 105.854 2.539 -14.700 1.00 0.00 H new ATOM 0 HA ARG A 56 107.435 5.042 -15.155 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.648 5.909 -16.627 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.258 4.424 -17.330 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.364 3.144 -16.337 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.771 4.593 -15.551 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.468 4.375 -17.595 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.609 5.668 -17.910 1.00 0.00 H new ATOM 0 HE ARG A 56 103.818 2.835 -18.949 1.00 0.00 H new ATOM 0 HH11 ARG A 56 105.259 6.064 -18.646 1.00 0.00 H new ATOM 0 HH12 ARG A 56 106.356 5.802 -20.006 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.213 2.571 -20.662 1.00 0.00 H new ATOM 0 HH22 ARG A 56 106.329 3.860 -21.125 1.00 0.00 H new ATOM 914 N ILE A 57 105.822 6.265 -13.602 1.00 0.00 N ATOM 915 CA ILE A 57 105.005 6.836 -12.485 1.00 0.00 C ATOM 916 C ILE A 57 104.060 7.905 -13.045 1.00 0.00 C ATOM 917 O ILE A 57 104.479 8.792 -13.767 1.00 0.00 O ATOM 918 CB ILE A 57 106.015 7.452 -11.503 1.00 0.00 C ATOM 919 CG1 ILE A 57 106.991 6.371 -11.012 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.269 8.034 -10.297 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.138 7.022 -10.235 1.00 0.00 C ATOM 0 H ILE A 57 106.464 6.922 -14.045 1.00 0.00 H new ATOM 0 HA ILE A 57 104.390 6.085 -11.989 1.00 0.00 H new ATOM 0 HB ILE A 57 106.569 8.241 -12.012 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.468 5.657 -10.376 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.386 5.812 -11.860 1.00 0.00 H new ATOM 0 HG21 ILE A 57 105.986 8.470 -9.602 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.576 8.805 -10.635 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.714 7.241 -9.796 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.827 6.251 -9.889 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.669 7.718 -10.885 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.736 7.561 -9.377 1.00 0.00 H new ATOM 933 N LEU A 58 102.791 7.826 -12.719 1.00 0.00 N ATOM 934 CA LEU A 58 101.797 8.769 -13.329 1.00 0.00 C ATOM 935 C LEU A 58 102.055 10.205 -12.836 1.00 0.00 C ATOM 936 O LEU A 58 102.471 10.394 -11.710 1.00 0.00 O ATOM 937 CB LEU A 58 100.418 8.283 -12.863 1.00 0.00 C ATOM 938 CG LEU A 58 100.144 6.876 -13.409 1.00 0.00 C ATOM 939 CD1 LEU A 58 98.846 6.341 -12.801 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.009 6.925 -14.935 1.00 0.00 C ATOM 0 H LEU A 58 102.401 7.152 -12.060 1.00 0.00 H new ATOM 0 HA LEU A 58 101.869 8.783 -14.417 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.376 8.274 -11.774 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.646 8.972 -13.206 1.00 0.00 H new ATOM 0 HG LEU A 58 100.973 6.220 -13.144 1.00 0.00 H new ATOM 0 HD11 LEU A 58 98.648 5.341 -13.187 1.00 0.00 H new ATOM 0 HD12 LEU A 58 98.943 6.298 -11.716 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.021 7.002 -13.066 1.00 0.00 H new ATOM 0 HD21 LEU A 58 99.815 5.922 -15.315 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.183 7.583 -15.206 1.00 0.00 H new ATOM 0 HD23 LEU A 58 100.933 7.305 -15.370 1.00 0.00 H new ATOM 952 N PRO A 59 101.798 11.177 -13.694 1.00 0.00 N ATOM 953 CA PRO A 59 102.061 12.595 -13.327 1.00 0.00 C ATOM 954 C PRO A 59 101.081 13.058 -12.244 1.00 0.00 C ATOM 955 O PRO A 59 99.898 12.779 -12.310 1.00 0.00 O ATOM 956 CB PRO A 59 101.837 13.362 -14.631 1.00 0.00 C ATOM 957 CG PRO A 59 100.966 12.480 -15.464 1.00 0.00 C ATOM 958 CD PRO A 59 101.250 11.060 -15.057 1.00 0.00 C ATOM 0 HA PRO A 59 103.060 12.750 -12.920 1.00 0.00 H new ATOM 0 HB2 PRO A 59 101.359 14.324 -14.444 1.00 0.00 H new ATOM 0 HB3 PRO A 59 102.782 13.568 -15.133 1.00 0.00 H new ATOM 0 HG2 PRO A 59 99.914 12.721 -15.309 1.00 0.00 H new ATOM 0 HG3 PRO A 59 101.174 12.625 -16.524 1.00 0.00 H new ATOM 0 HD2 PRO A 59 100.345 10.453 -15.071 1.00 0.00 H new ATOM 0 HD3 PRO A 59 101.962 10.587 -15.733 1.00 0.00 H new ATOM 966 N LYS A 60 101.570 13.762 -11.251 1.00 0.00 N ATOM 967 CA LYS A 60 100.666 14.288 -10.175 1.00 0.00 C ATOM 968 C LYS A 60 99.710 15.338 -10.752 1.00 0.00 C ATOM 969 O LYS A 60 98.573 15.449 -10.331 1.00 0.00 O ATOM 970 CB LYS A 60 101.596 14.923 -9.137 1.00 0.00 C ATOM 971 CG LYS A 60 100.795 15.285 -7.884 1.00 0.00 C ATOM 972 CD LYS A 60 101.713 15.970 -6.871 1.00 0.00 C ATOM 973 CE LYS A 60 100.960 16.171 -5.554 1.00 0.00 C ATOM 974 NZ LYS A 60 101.056 14.861 -4.852 1.00 0.00 N ATOM 0 H LYS A 60 102.556 13.996 -11.138 1.00 0.00 H new ATOM 0 HA LYS A 60 100.051 13.501 -9.738 1.00 0.00 H new ATOM 0 HB2 LYS A 60 102.398 14.231 -8.881 1.00 0.00 H new ATOM 0 HB3 LYS A 60 102.065 15.815 -9.552 1.00 0.00 H new ATOM 0 HG2 LYS A 60 99.968 15.945 -8.146 1.00 0.00 H new ATOM 0 HG3 LYS A 60 100.359 14.387 -7.446 1.00 0.00 H new ATOM 0 HD2 LYS A 60 102.604 15.365 -6.704 1.00 0.00 H new ATOM 0 HD3 LYS A 60 102.049 16.931 -7.260 1.00 0.00 H new ATOM 0 HE2 LYS A 60 101.407 16.970 -4.962 1.00 0.00 H new ATOM 0 HE3 LYS A 60 99.921 16.449 -5.732 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 100.134 14.623 -4.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 101.329 14.122 -5.531 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 101.772 14.922 -4.100 1.00 0.00 H new ATOM 988 N ASN A 61 100.168 16.105 -11.711 1.00 0.00 N ATOM 989 CA ASN A 61 99.300 17.161 -12.319 1.00 0.00 C ATOM 990 C ASN A 61 98.570 16.607 -13.546 1.00 0.00 C ATOM 991 O ASN A 61 98.924 15.567 -14.070 1.00 0.00 O ATOM 992 CB ASN A 61 100.259 18.284 -12.727 1.00 0.00 C ATOM 993 CG ASN A 61 100.876 18.915 -11.477 1.00 0.00 C ATOM 994 OD1 ASN A 61 100.222 19.045 -10.460 1.00 0.00 O ATOM 995 ND2 ASN A 61 102.117 19.317 -11.509 1.00 0.00 N ATOM 0 H ASN A 61 101.109 16.045 -12.100 1.00 0.00 H new ATOM 0 HA ASN A 61 98.535 17.512 -11.626 1.00 0.00 H new ATOM 0 HB2 ASN A 61 101.044 17.889 -13.372 1.00 0.00 H new ATOM 0 HB3 ASN A 61 99.725 19.040 -13.302 1.00 0.00 H new ATOM 0 HD21 ASN A 61 102.538 19.740 -10.682 1.00 0.00 H new ATOM 0 HD22 ASN A 61 102.666 19.208 -12.361 1.00 0.00 H new ATOM 1002 N GLU A 62 97.553 17.298 -14.005 1.00 0.00 N ATOM 1003 CA GLU A 62 96.776 16.814 -15.192 1.00 0.00 C ATOM 1004 C GLU A 62 97.655 16.822 -16.448 1.00 0.00 C ATOM 1005 O GLU A 62 97.506 15.989 -17.322 1.00 0.00 O ATOM 1006 CB GLU A 62 95.614 17.798 -15.349 1.00 0.00 C ATOM 1007 CG GLU A 62 94.666 17.667 -14.153 1.00 0.00 C ATOM 1008 CD GLU A 62 93.476 18.614 -14.332 1.00 0.00 C ATOM 1009 OE1 GLU A 62 92.985 18.720 -15.445 1.00 0.00 O ATOM 1010 OE2 GLU A 62 93.075 19.219 -13.351 1.00 0.00 O ATOM 0 H GLU A 62 97.227 18.179 -13.608 1.00 0.00 H new ATOM 0 HA GLU A 62 96.426 15.791 -15.055 1.00 0.00 H new ATOM 0 HB2 GLU A 62 95.994 18.818 -15.415 1.00 0.00 H new ATOM 0 HB3 GLU A 62 95.077 17.597 -16.276 1.00 0.00 H new ATOM 0 HG2 GLU A 62 94.315 16.639 -14.066 1.00 0.00 H new ATOM 0 HG3 GLU A 62 95.195 17.903 -13.230 1.00 0.00 H new ATOM 1017 N ILE A 63 98.569 17.758 -16.538 1.00 0.00 N ATOM 1018 CA ILE A 63 99.461 17.838 -17.741 1.00 0.00 C ATOM 1019 C ILE A 63 100.930 17.703 -17.324 1.00 0.00 C ATOM 1020 O ILE A 63 101.277 17.913 -16.176 1.00 0.00 O ATOM 1021 CB ILE A 63 99.195 19.218 -18.368 1.00 0.00 C ATOM 1022 CG1 ILE A 63 99.462 20.334 -17.345 1.00 0.00 C ATOM 1023 CG2 ILE A 63 97.738 19.299 -18.832 1.00 0.00 C ATOM 1024 CD1 ILE A 63 99.499 21.686 -18.059 1.00 0.00 C ATOM 0 H ILE A 63 98.737 18.472 -15.829 1.00 0.00 H new ATOM 0 HA ILE A 63 99.258 17.035 -18.450 1.00 0.00 H new ATOM 0 HB ILE A 63 99.864 19.348 -19.219 1.00 0.00 H new ATOM 0 HG12 ILE A 63 98.684 20.336 -16.582 1.00 0.00 H new ATOM 0 HG13 ILE A 63 100.408 20.155 -16.835 1.00 0.00 H new ATOM 0 HG21 ILE A 63 97.551 20.277 -19.276 1.00 0.00 H new ATOM 0 HG22 ILE A 63 97.548 18.522 -19.573 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.076 19.156 -17.978 1.00 0.00 H new ATOM 0 HD11 ILE A 63 99.688 22.476 -17.332 1.00 0.00 H new ATOM 0 HD12 ILE A 63 100.293 21.682 -18.806 1.00 0.00 H new ATOM 0 HD13 ILE A 63 98.542 21.865 -18.549 1.00 0.00 H new ATOM 1036 N MET A 64 101.789 17.352 -18.250 1.00 0.00 N ATOM 1037 CA MET A 64 103.238 17.193 -17.918 1.00 0.00 C ATOM 1038 C MET A 64 104.004 18.483 -18.255 1.00 0.00 C ATOM 1039 O MET A 64 103.584 19.234 -19.116 1.00 0.00 O ATOM 1040 CB MET A 64 103.722 16.038 -18.795 1.00 0.00 C ATOM 1041 CG MET A 64 103.077 14.734 -18.322 1.00 0.00 C ATOM 1042 SD MET A 64 103.166 13.502 -19.645 1.00 0.00 S ATOM 1043 CE MET A 64 101.894 14.223 -20.711 1.00 0.00 C ATOM 0 H MET A 64 101.547 17.168 -19.224 1.00 0.00 H new ATOM 0 HA MET A 64 103.399 16.995 -16.858 1.00 0.00 H new ATOM 0 HB2 MET A 64 103.465 16.226 -19.837 1.00 0.00 H new ATOM 0 HB3 MET A 64 104.808 15.959 -18.744 1.00 0.00 H new ATOM 0 HG2 MET A 64 103.587 14.365 -17.432 1.00 0.00 H new ATOM 0 HG3 MET A 64 102.038 14.910 -18.044 1.00 0.00 H new ATOM 0 HE1 MET A 64 101.142 13.469 -20.941 1.00 0.00 H new ATOM 0 HE2 MET A 64 101.422 15.062 -20.199 1.00 0.00 H new ATOM 0 HE3 MET A 64 102.351 14.574 -21.636 1.00 0.00 H new ATOM 1053 N PRO A 65 105.109 18.706 -17.566 1.00 0.00 N ATOM 1054 CA PRO A 65 105.918 19.930 -17.807 1.00 0.00 C ATOM 1055 C PRO A 65 106.571 19.874 -19.192 1.00 0.00 C ATOM 1056 O PRO A 65 106.931 18.815 -19.674 1.00 0.00 O ATOM 1057 CB PRO A 65 106.976 19.900 -16.704 1.00 0.00 C ATOM 1058 CG PRO A 65 107.051 18.472 -16.265 1.00 0.00 C ATOM 1059 CD PRO A 65 105.700 17.858 -16.518 1.00 0.00 C ATOM 0 HA PRO A 65 105.322 20.843 -17.786 1.00 0.00 H new ATOM 0 HB2 PRO A 65 107.940 20.248 -17.075 1.00 0.00 H new ATOM 0 HB3 PRO A 65 106.699 20.552 -15.876 1.00 0.00 H new ATOM 0 HG2 PRO A 65 107.825 17.940 -16.817 1.00 0.00 H new ATOM 0 HG3 PRO A 65 107.312 18.407 -15.209 1.00 0.00 H new ATOM 0 HD2 PRO A 65 105.788 16.822 -16.846 1.00 0.00 H new ATOM 0 HD3 PRO A 65 105.088 17.855 -15.616 1.00 0.00 H new ATOM 1067 N LYS A 66 106.723 21.009 -19.833 1.00 0.00 N ATOM 1068 CA LYS A 66 107.379 21.042 -21.176 1.00 0.00 C ATOM 1069 C LYS A 66 108.425 22.161 -21.221 1.00 0.00 C ATOM 1070 O LYS A 66 108.115 23.317 -20.999 1.00 0.00 O ATOM 1071 CB LYS A 66 106.244 21.324 -22.162 1.00 0.00 C ATOM 1072 CG LYS A 66 106.761 21.172 -23.595 1.00 0.00 C ATOM 1073 CD LYS A 66 105.644 21.523 -24.581 1.00 0.00 C ATOM 1074 CE LYS A 66 106.114 21.239 -26.009 1.00 0.00 C ATOM 1075 NZ LYS A 66 106.860 22.461 -26.418 1.00 0.00 N ATOM 0 H LYS A 66 106.419 21.917 -19.481 1.00 0.00 H new ATOM 0 HA LYS A 66 107.898 20.112 -21.410 1.00 0.00 H new ATOM 0 HB2 LYS A 66 105.417 20.635 -21.988 1.00 0.00 H new ATOM 0 HB3 LYS A 66 105.857 22.331 -22.009 1.00 0.00 H new ATOM 0 HG2 LYS A 66 107.619 21.825 -23.754 1.00 0.00 H new ATOM 0 HG3 LYS A 66 107.102 20.150 -23.764 1.00 0.00 H new ATOM 0 HD2 LYS A 66 104.751 20.939 -24.358 1.00 0.00 H new ATOM 0 HD3 LYS A 66 105.371 22.573 -24.479 1.00 0.00 H new ATOM 0 HE2 LYS A 66 106.752 20.356 -26.047 1.00 0.00 H new ATOM 0 HE3 LYS A 66 105.270 21.051 -26.673 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 107.215 22.343 -27.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 106.226 23.284 -26.379 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 107.662 22.611 -25.773 1.00 0.00 H new ATOM 1089 N ASN A 67 109.658 21.821 -21.510 1.00 0.00 N ATOM 1090 CA ASN A 67 110.737 22.854 -21.560 1.00 0.00 C ATOM 1091 C ASN A 67 111.740 22.522 -22.669 1.00 0.00 C ATOM 1092 O ASN A 67 111.737 21.433 -23.212 1.00 0.00 O ATOM 1093 CB ASN A 67 111.413 22.790 -20.189 1.00 0.00 C ATOM 1094 CG ASN A 67 110.442 23.292 -19.117 1.00 0.00 C ATOM 1095 OD1 ASN A 67 109.868 24.455 -19.266 1.00 0.00 O flip ATOM 1096 ND2 ASN A 67 110.206 22.619 -18.134 1.00 0.00 N flip ATOM 0 H ASN A 67 109.963 20.869 -21.714 1.00 0.00 H new ATOM 0 HA ASN A 67 110.345 23.848 -21.775 1.00 0.00 H new ATOM 0 HB2 ASN A 67 111.717 21.767 -19.969 1.00 0.00 H new ATOM 0 HB3 ASN A 67 112.318 23.398 -20.189 1.00 0.00 H new ATOM 0 HD21 ASN A 67 110.655 21.710 -18.018 1.00 0.00 H new ATOM 0 HD22 ASN A 67 109.559 22.962 -17.424 1.00 0.00 H new ATOM 1103 N GLY A 68 112.596 23.457 -23.003 1.00 0.00 N ATOM 1104 CA GLY A 68 113.615 23.209 -24.066 1.00 0.00 C ATOM 1105 C GLY A 68 114.788 24.173 -23.881 1.00 0.00 C ATOM 1106 O GLY A 68 114.992 25.074 -24.674 1.00 0.00 O ATOM 0 H GLY A 68 112.631 24.385 -22.582 1.00 0.00 H new ATOM 0 HA2 GLY A 68 113.966 22.178 -24.015 1.00 0.00 H new ATOM 0 HA3 GLY A 68 113.169 23.346 -25.051 1.00 0.00 H new ATOM 1110 N THR A 69 115.560 23.986 -22.837 1.00 0.00 N ATOM 1111 CA THR A 69 116.718 24.899 -22.573 1.00 0.00 C ATOM 1112 C THR A 69 118.040 24.128 -22.676 1.00 0.00 C ATOM 1113 O THR A 69 118.991 24.421 -21.975 1.00 0.00 O ATOM 1114 CB THR A 69 116.498 25.438 -21.148 1.00 0.00 C ATOM 1115 OG1 THR A 69 117.568 26.308 -20.805 1.00 0.00 O ATOM 1116 CG2 THR A 69 116.434 24.284 -20.135 1.00 0.00 C ATOM 0 H THR A 69 115.438 23.238 -22.154 1.00 0.00 H new ATOM 0 HA THR A 69 116.776 25.710 -23.299 1.00 0.00 H new ATOM 0 HB THR A 69 115.552 25.979 -21.120 1.00 0.00 H new ATOM 0 HG1 THR A 69 118.420 25.891 -21.050 1.00 0.00 H new ATOM 0 HG21 THR A 69 116.278 24.687 -19.134 1.00 0.00 H new ATOM 0 HG22 THR A 69 115.609 23.620 -20.392 1.00 0.00 H new ATOM 0 HG23 THR A 69 117.370 23.726 -20.160 1.00 0.00 H new ATOM 1124 N LYS A 70 118.101 23.147 -23.547 1.00 0.00 N ATOM 1125 CA LYS A 70 119.363 22.350 -23.709 1.00 0.00 C ATOM 1126 C LYS A 70 120.499 23.244 -24.217 1.00 0.00 C ATOM 1127 O LYS A 70 121.651 23.051 -23.875 1.00 0.00 O ATOM 1128 CB LYS A 70 119.034 21.268 -24.742 1.00 0.00 C ATOM 1129 CG LYS A 70 117.998 20.302 -24.162 1.00 0.00 C ATOM 1130 CD LYS A 70 117.759 19.158 -25.148 1.00 0.00 C ATOM 1131 CE LYS A 70 116.636 18.258 -24.627 1.00 0.00 C ATOM 1132 NZ LYS A 70 116.235 17.428 -25.796 1.00 0.00 N ATOM 0 H LYS A 70 117.332 22.863 -24.153 1.00 0.00 H new ATOM 0 HA LYS A 70 119.694 21.920 -22.763 1.00 0.00 H new ATOM 0 HB2 LYS A 70 118.649 21.726 -25.653 1.00 0.00 H new ATOM 0 HB3 LYS A 70 119.939 20.725 -25.016 1.00 0.00 H new ATOM 0 HG2 LYS A 70 118.347 19.907 -23.208 1.00 0.00 H new ATOM 0 HG3 LYS A 70 117.064 20.828 -23.966 1.00 0.00 H new ATOM 0 HD2 LYS A 70 117.494 19.557 -26.127 1.00 0.00 H new ATOM 0 HD3 LYS A 70 118.673 18.578 -25.277 1.00 0.00 H new ATOM 0 HE2 LYS A 70 116.980 17.636 -23.801 1.00 0.00 H new ATOM 0 HE3 LYS A 70 115.798 18.847 -24.255 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 115.468 16.784 -25.517 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 115.906 18.047 -26.564 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 117.051 16.873 -26.124 1.00 0.00 H new ATOM 1146 N SER A 71 120.178 24.221 -25.032 1.00 0.00 N ATOM 1147 CA SER A 71 121.227 25.139 -25.571 1.00 0.00 C ATOM 1148 C SER A 71 121.038 26.554 -25.001 1.00 0.00 C ATOM 1149 O SER A 71 120.005 26.846 -24.428 1.00 0.00 O ATOM 1150 CB SER A 71 121.012 25.137 -27.084 1.00 0.00 C ATOM 1151 OG SER A 71 121.764 24.077 -27.663 1.00 0.00 O ATOM 0 H SER A 71 119.229 24.421 -25.347 1.00 0.00 H new ATOM 0 HA SER A 71 122.234 24.821 -25.301 1.00 0.00 H new ATOM 0 HB2 SER A 71 119.953 25.015 -27.313 1.00 0.00 H new ATOM 0 HB3 SER A 71 121.321 26.092 -27.508 1.00 0.00 H new ATOM 0 HG SER A 71 121.627 24.071 -28.633 1.00 0.00 H new ATOM 1157 N PRO A 72 122.042 27.395 -25.174 1.00 0.00 N ATOM 1158 CA PRO A 72 121.959 28.790 -24.663 1.00 0.00 C ATOM 1159 C PRO A 72 120.859 29.567 -25.399 1.00 0.00 C ATOM 1160 O PRO A 72 120.616 29.348 -26.572 1.00 0.00 O ATOM 1161 CB PRO A 72 123.339 29.382 -24.961 1.00 0.00 C ATOM 1162 CG PRO A 72 123.931 28.501 -26.016 1.00 0.00 C ATOM 1163 CD PRO A 72 123.325 27.135 -25.847 1.00 0.00 C ATOM 0 HA PRO A 72 121.709 28.836 -23.603 1.00 0.00 H new ATOM 0 HB2 PRO A 72 123.258 30.412 -25.309 1.00 0.00 H new ATOM 0 HB3 PRO A 72 123.962 29.396 -24.066 1.00 0.00 H new ATOM 0 HG2 PRO A 72 123.719 28.895 -27.010 1.00 0.00 H new ATOM 0 HG3 PRO A 72 125.015 28.456 -25.915 1.00 0.00 H new ATOM 0 HD2 PRO A 72 123.179 26.642 -26.808 1.00 0.00 H new ATOM 0 HD3 PRO A 72 123.965 26.486 -25.249 1.00 0.00 H new ATOM 1171 N SER A 73 120.198 30.468 -24.715 1.00 0.00 N ATOM 1172 CA SER A 73 119.096 31.248 -25.354 1.00 0.00 C ATOM 1173 C SER A 73 119.065 32.676 -24.800 1.00 0.00 C ATOM 1174 O SER A 73 119.780 33.003 -23.871 1.00 0.00 O ATOM 1175 CB SER A 73 117.815 30.500 -24.983 1.00 0.00 C ATOM 1176 OG SER A 73 117.594 30.613 -23.583 1.00 0.00 O ATOM 0 H SER A 73 120.376 30.697 -23.737 1.00 0.00 H new ATOM 0 HA SER A 73 119.222 31.331 -26.434 1.00 0.00 H new ATOM 0 HB2 SER A 73 116.968 30.912 -25.531 1.00 0.00 H new ATOM 0 HB3 SER A 73 117.898 29.451 -25.266 1.00 0.00 H new ATOM 0 HG SER A 73 116.773 30.136 -23.342 1.00 0.00 H new ATOM 1182 N THR A 74 118.239 33.522 -25.367 1.00 0.00 N ATOM 1183 CA THR A 74 118.148 34.937 -24.885 1.00 0.00 C ATOM 1184 C THR A 74 116.705 35.272 -24.488 1.00 0.00 C ATOM 1185 O THR A 74 115.781 34.555 -24.821 1.00 0.00 O ATOM 1186 CB THR A 74 118.611 35.802 -26.070 1.00 0.00 C ATOM 1187 OG1 THR A 74 118.553 37.172 -25.700 1.00 0.00 O ATOM 1188 CG2 THR A 74 117.714 35.567 -27.293 1.00 0.00 C ATOM 0 H THR A 74 117.622 33.293 -26.146 1.00 0.00 H new ATOM 0 HA THR A 74 118.762 35.111 -24.001 1.00 0.00 H new ATOM 0 HB THR A 74 119.634 35.527 -26.328 1.00 0.00 H new ATOM 0 HG1 THR A 74 118.849 37.727 -26.452 1.00 0.00 H new ATOM 0 HG21 THR A 74 118.057 36.188 -28.121 1.00 0.00 H new ATOM 0 HG22 THR A 74 117.761 34.517 -27.583 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.685 35.829 -27.045 1.00 0.00 H new ATOM 1196 N ASN A 75 116.510 36.361 -23.772 1.00 0.00 N ATOM 1197 CA ASN A 75 115.130 36.768 -23.328 1.00 0.00 C ATOM 1198 C ASN A 75 114.432 35.615 -22.590 1.00 0.00 C ATOM 1199 O ASN A 75 113.278 35.312 -22.837 1.00 0.00 O ATOM 1200 CB ASN A 75 114.370 37.137 -24.611 1.00 0.00 C ATOM 1201 CG ASN A 75 115.026 38.354 -25.268 1.00 0.00 C ATOM 1202 OD1 ASN A 75 115.484 39.253 -24.590 1.00 0.00 O ATOM 1203 ND2 ASN A 75 115.091 38.423 -26.570 1.00 0.00 N ATOM 0 H ASN A 75 117.255 36.991 -23.474 1.00 0.00 H new ATOM 0 HA ASN A 75 115.165 37.605 -22.631 1.00 0.00 H new ATOM 0 HB2 ASN A 75 114.372 36.294 -25.302 1.00 0.00 H new ATOM 0 HB3 ASN A 75 113.328 37.355 -24.378 1.00 0.00 H new ATOM 0 HD21 ASN A 75 115.526 39.230 -27.017 1.00 0.00 H new ATOM 0 HD22 ASN A 75 114.707 37.670 -27.140 1.00 0.00 H new ATOM 1210 N SER A 76 115.132 34.972 -21.684 1.00 0.00 N ATOM 1211 CA SER A 76 114.534 33.819 -20.934 1.00 0.00 C ATOM 1212 C SER A 76 113.358 34.290 -20.069 1.00 0.00 C ATOM 1213 O SER A 76 112.421 33.550 -19.831 1.00 0.00 O ATOM 1214 CB SER A 76 115.661 33.278 -20.051 1.00 0.00 C ATOM 1215 OG SER A 76 115.983 34.242 -19.058 1.00 0.00 O ATOM 0 H SER A 76 116.094 35.197 -21.431 1.00 0.00 H new ATOM 0 HA SER A 76 114.145 33.057 -21.610 1.00 0.00 H new ATOM 0 HB2 SER A 76 115.354 32.344 -19.581 1.00 0.00 H new ATOM 0 HB3 SER A 76 116.539 33.056 -20.657 1.00 0.00 H new ATOM 0 HG SER A 76 116.703 33.898 -18.490 1.00 0.00 H new ATOM 1221 N THR A 77 113.404 35.513 -19.599 1.00 0.00 N ATOM 1222 CA THR A 77 112.287 36.044 -18.758 1.00 0.00 C ATOM 1223 C THR A 77 111.374 36.941 -19.598 1.00 0.00 C ATOM 1224 O THR A 77 111.820 37.607 -20.514 1.00 0.00 O ATOM 1225 CB THR A 77 112.970 36.856 -17.655 1.00 0.00 C ATOM 1226 OG1 THR A 77 113.851 37.801 -18.242 1.00 0.00 O ATOM 1227 CG2 THR A 77 113.758 35.918 -16.738 1.00 0.00 C ATOM 0 H THR A 77 114.169 36.167 -19.762 1.00 0.00 H new ATOM 0 HA THR A 77 111.663 35.248 -18.350 1.00 0.00 H new ATOM 0 HB THR A 77 112.215 37.379 -17.069 1.00 0.00 H new ATOM 0 HG1 THR A 77 114.288 38.323 -17.537 1.00 0.00 H new ATOM 0 HG21 THR A 77 114.243 36.499 -15.954 1.00 0.00 H new ATOM 0 HG22 THR A 77 113.079 35.195 -16.287 1.00 0.00 H new ATOM 0 HG23 THR A 77 114.514 35.391 -17.320 1.00 0.00 H new ATOM 1235 N LYS A 78 110.100 36.960 -19.288 1.00 0.00 N ATOM 1236 CA LYS A 78 109.142 37.809 -20.063 1.00 0.00 C ATOM 1237 C LYS A 78 108.192 38.539 -19.110 1.00 0.00 C ATOM 1238 O LYS A 78 107.897 38.061 -18.031 1.00 0.00 O ATOM 1239 CB LYS A 78 108.367 36.830 -20.947 1.00 0.00 C ATOM 1240 CG LYS A 78 109.310 36.217 -21.985 1.00 0.00 C ATOM 1241 CD LYS A 78 108.540 35.223 -22.855 1.00 0.00 C ATOM 1242 CE LYS A 78 107.675 35.985 -23.862 1.00 0.00 C ATOM 1243 NZ LYS A 78 108.593 36.305 -24.990 1.00 0.00 N ATOM 0 H LYS A 78 109.681 36.422 -18.529 1.00 0.00 H new ATOM 0 HA LYS A 78 109.651 38.573 -20.651 1.00 0.00 H new ATOM 0 HB2 LYS A 78 107.924 36.044 -20.335 1.00 0.00 H new ATOM 0 HB3 LYS A 78 107.547 37.346 -21.446 1.00 0.00 H new ATOM 0 HG2 LYS A 78 109.742 37.001 -22.607 1.00 0.00 H new ATOM 0 HG3 LYS A 78 110.138 35.714 -21.486 1.00 0.00 H new ATOM 0 HD2 LYS A 78 109.236 34.568 -23.380 1.00 0.00 H new ATOM 0 HD3 LYS A 78 107.913 34.587 -22.230 1.00 0.00 H new ATOM 0 HE2 LYS A 78 106.833 35.380 -24.197 1.00 0.00 H new ATOM 0 HE3 LYS A 78 107.260 36.891 -23.421 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 108.343 37.232 -25.389 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 109.573 36.330 -24.643 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 108.505 35.576 -25.727 1.00 0.00 H new ATOM 1257 N LEU A 79 107.713 39.694 -19.506 1.00 0.00 N ATOM 1258 CA LEU A 79 106.764 40.457 -18.640 1.00 0.00 C ATOM 1259 C LEU A 79 105.321 40.180 -19.073 1.00 0.00 C ATOM 1260 O LEU A 79 104.974 40.339 -20.230 1.00 0.00 O ATOM 1261 CB LEU A 79 107.121 41.928 -18.861 1.00 0.00 C ATOM 1262 CG LEU A 79 106.413 42.789 -17.813 1.00 0.00 C ATOM 1263 CD1 LEU A 79 107.156 42.685 -16.480 1.00 0.00 C ATOM 1264 CD2 LEU A 79 106.402 44.248 -18.277 1.00 0.00 C ATOM 0 H LEU A 79 107.940 40.141 -20.394 1.00 0.00 H new ATOM 0 HA LEU A 79 106.841 40.175 -17.590 1.00 0.00 H new ATOM 0 HB2 LEU A 79 108.200 42.066 -18.791 1.00 0.00 H new ATOM 0 HB3 LEU A 79 106.824 42.239 -19.863 1.00 0.00 H new ATOM 0 HG LEU A 79 105.389 42.438 -17.686 1.00 0.00 H new ATOM 0 HD11 LEU A 79 106.652 43.298 -15.733 1.00 0.00 H new ATOM 0 HD12 LEU A 79 107.166 41.646 -16.149 1.00 0.00 H new ATOM 0 HD13 LEU A 79 108.180 43.036 -16.606 1.00 0.00 H new ATOM 0 HD21 LEU A 79 105.898 44.863 -17.532 1.00 0.00 H new ATOM 0 HD22 LEU A 79 107.427 44.597 -18.403 1.00 0.00 H new ATOM 0 HD23 LEU A 79 105.873 44.324 -19.227 1.00 0.00 H new ATOM 1276 N LYS A 80 104.483 39.771 -18.153 1.00 0.00 N ATOM 1277 CA LYS A 80 103.068 39.437 -18.508 1.00 0.00 C ATOM 1278 C LYS A 80 102.133 40.600 -18.156 1.00 0.00 C ATOM 1279 O LYS A 80 100.970 40.399 -17.859 1.00 0.00 O ATOM 1280 CB LYS A 80 102.727 38.204 -17.668 1.00 0.00 C ATOM 1281 CG LYS A 80 103.574 37.016 -18.129 1.00 0.00 C ATOM 1282 CD LYS A 80 103.154 35.760 -17.363 1.00 0.00 C ATOM 1283 CE LYS A 80 104.080 34.601 -17.736 1.00 0.00 C ATOM 1284 NZ LYS A 80 103.302 33.371 -17.421 1.00 0.00 N ATOM 0 H LYS A 80 104.719 39.653 -17.168 1.00 0.00 H new ATOM 0 HA LYS A 80 102.949 39.252 -19.576 1.00 0.00 H new ATOM 0 HB2 LYS A 80 102.912 38.408 -16.613 1.00 0.00 H new ATOM 0 HB3 LYS A 80 101.667 37.967 -17.765 1.00 0.00 H new ATOM 0 HG2 LYS A 80 103.448 36.860 -19.200 1.00 0.00 H new ATOM 0 HG3 LYS A 80 104.631 37.222 -17.959 1.00 0.00 H new ATOM 0 HD2 LYS A 80 103.199 35.944 -16.290 1.00 0.00 H new ATOM 0 HD3 LYS A 80 102.121 35.505 -17.600 1.00 0.00 H new ATOM 0 HE2 LYS A 80 104.352 34.637 -18.791 1.00 0.00 H new ATOM 0 HE3 LYS A 80 105.008 34.638 -17.166 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 103.872 32.532 -17.650 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 103.063 33.361 -16.409 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 102.427 33.360 -17.983 1.00 0.00 H new ATOM 1298 N SER A 81 102.634 41.813 -18.187 1.00 0.00 N ATOM 1299 CA SER A 81 101.776 42.996 -17.851 1.00 0.00 C ATOM 1300 C SER A 81 100.701 43.192 -18.926 1.00 0.00 C ATOM 1301 O SER A 81 99.582 43.571 -18.631 1.00 0.00 O ATOM 1302 CB SER A 81 102.725 44.194 -17.822 1.00 0.00 C ATOM 1303 OG SER A 81 103.792 43.926 -16.920 1.00 0.00 O ATOM 0 H SER A 81 103.599 42.035 -18.430 1.00 0.00 H new ATOM 0 HA SER A 81 101.260 42.867 -16.900 1.00 0.00 H new ATOM 0 HB2 SER A 81 103.117 44.386 -18.821 1.00 0.00 H new ATOM 0 HB3 SER A 81 102.188 45.091 -17.512 1.00 0.00 H new ATOM 0 HG SER A 81 104.004 44.738 -16.413 1.00 0.00 H new ATOM 1309 N ALA A 82 101.037 42.936 -20.166 1.00 0.00 N ATOM 1310 CA ALA A 82 100.046 43.123 -21.275 1.00 0.00 C ATOM 1311 C ALA A 82 98.947 42.061 -21.191 1.00 0.00 C ATOM 1312 O ALA A 82 97.791 42.332 -21.464 1.00 0.00 O ATOM 1313 CB ALA A 82 100.847 42.964 -22.569 1.00 0.00 C ATOM 0 H ALA A 82 101.956 42.605 -20.460 1.00 0.00 H new ATOM 0 HA ALA A 82 99.555 44.094 -21.221 1.00 0.00 H new ATOM 0 HB1 ALA A 82 100.184 43.089 -23.425 1.00 0.00 H new ATOM 0 HB2 ALA A 82 101.633 43.719 -22.606 1.00 0.00 H new ATOM 0 HB3 ALA A 82 101.296 41.971 -22.599 1.00 0.00 H new ATOM 1319 N GLU A 83 99.301 40.855 -20.817 1.00 0.00 N ATOM 1320 CA GLU A 83 98.285 39.757 -20.736 1.00 0.00 C ATOM 1321 C GLU A 83 98.534 38.885 -19.499 1.00 0.00 C ATOM 1322 O GLU A 83 99.665 38.618 -19.137 1.00 0.00 O ATOM 1323 CB GLU A 83 98.460 38.943 -22.028 1.00 0.00 C ATOM 1324 CG GLU A 83 99.890 38.391 -22.129 1.00 0.00 C ATOM 1325 CD GLU A 83 100.074 37.693 -23.477 1.00 0.00 C ATOM 1326 OE1 GLU A 83 99.503 36.630 -23.655 1.00 0.00 O ATOM 1327 OE2 GLU A 83 100.785 38.234 -24.309 1.00 0.00 O ATOM 0 H GLU A 83 100.251 40.583 -20.564 1.00 0.00 H new ATOM 0 HA GLU A 83 97.271 40.145 -20.642 1.00 0.00 H new ATOM 0 HB2 GLU A 83 97.745 38.121 -22.046 1.00 0.00 H new ATOM 0 HB3 GLU A 83 98.245 39.571 -22.892 1.00 0.00 H new ATOM 0 HG2 GLU A 83 100.612 39.201 -22.026 1.00 0.00 H new ATOM 0 HG3 GLU A 83 100.079 37.690 -21.316 1.00 0.00 H new ATOM 1334 N THR A 84 97.482 38.444 -18.852 1.00 0.00 N ATOM 1335 CA THR A 84 97.640 37.576 -17.644 1.00 0.00 C ATOM 1336 C THR A 84 96.572 36.475 -17.636 1.00 0.00 C ATOM 1337 O THR A 84 96.104 36.063 -16.591 1.00 0.00 O ATOM 1338 CB THR A 84 97.472 38.516 -16.437 1.00 0.00 C ATOM 1339 OG1 THR A 84 97.578 37.762 -15.238 1.00 0.00 O ATOM 1340 CG2 THR A 84 96.104 39.211 -16.481 1.00 0.00 C ATOM 0 H THR A 84 96.517 38.649 -19.110 1.00 0.00 H new ATOM 0 HA THR A 84 98.607 37.074 -17.625 1.00 0.00 H new ATOM 0 HB THR A 84 98.253 39.276 -16.471 1.00 0.00 H new ATOM 0 HG1 THR A 84 97.048 36.942 -15.319 1.00 0.00 H new ATOM 0 HG21 THR A 84 96.004 39.871 -15.620 1.00 0.00 H new ATOM 0 HG22 THR A 84 96.022 39.795 -17.398 1.00 0.00 H new ATOM 0 HG23 THR A 84 95.314 38.461 -16.457 1.00 0.00 H new ATOM 1348 N TYR A 85 96.187 36.001 -18.797 1.00 0.00 N ATOM 1349 CA TYR A 85 95.136 34.940 -18.876 1.00 0.00 C ATOM 1350 C TYR A 85 95.723 33.658 -19.473 1.00 0.00 C ATOM 1351 O TYR A 85 96.727 33.689 -20.160 1.00 0.00 O ATOM 1352 CB TYR A 85 94.060 35.516 -19.796 1.00 0.00 C ATOM 1353 CG TYR A 85 93.420 36.775 -19.263 1.00 0.00 C ATOM 1354 CD1 TYR A 85 92.332 36.689 -18.358 1.00 0.00 C ATOM 1355 CD2 TYR A 85 93.907 38.043 -19.664 1.00 0.00 C ATOM 1356 CE1 TYR A 85 91.732 37.869 -17.857 1.00 0.00 C ATOM 1357 CE2 TYR A 85 93.306 39.224 -19.164 1.00 0.00 C ATOM 1358 CZ TYR A 85 92.220 39.137 -18.260 1.00 0.00 C ATOM 1359 OH TYR A 85 91.634 40.288 -17.772 1.00 0.00 O ATOM 0 H TYR A 85 96.558 36.306 -19.697 1.00 0.00 H new ATOM 0 HA TYR A 85 94.737 34.680 -17.896 1.00 0.00 H new ATOM 0 HB2 TYR A 85 94.501 35.727 -20.770 1.00 0.00 H new ATOM 0 HB3 TYR A 85 93.287 34.764 -19.953 1.00 0.00 H new ATOM 0 HD1 TYR A 85 91.961 35.722 -18.051 1.00 0.00 H new ATOM 0 HD2 TYR A 85 94.737 38.109 -20.352 1.00 0.00 H new ATOM 0 HE1 TYR A 85 90.903 37.803 -17.168 1.00 0.00 H new ATOM 0 HE2 TYR A 85 93.676 40.191 -19.472 1.00 0.00 H new ATOM 0 HH TYR A 85 92.089 41.071 -18.147 1.00 0.00 H new ATOM 1369 N SER A 86 95.099 32.533 -19.213 1.00 0.00 N ATOM 1370 CA SER A 86 95.612 31.238 -19.757 1.00 0.00 C ATOM 1371 C SER A 86 94.654 30.693 -20.821 1.00 0.00 C ATOM 1372 O SER A 86 93.451 30.854 -20.722 1.00 0.00 O ATOM 1373 CB SER A 86 95.666 30.298 -18.554 1.00 0.00 C ATOM 1374 OG SER A 86 96.510 30.859 -17.557 1.00 0.00 O ATOM 0 H SER A 86 94.255 32.457 -18.646 1.00 0.00 H new ATOM 0 HA SER A 86 96.586 31.348 -20.234 1.00 0.00 H new ATOM 0 HB2 SER A 86 94.664 30.143 -18.154 1.00 0.00 H new ATOM 0 HB3 SER A 86 96.042 29.321 -18.858 1.00 0.00 H new ATOM 0 HG SER A 86 96.545 30.259 -16.783 1.00 0.00 H new ATOM 1380 N SER A 87 95.183 30.052 -21.834 1.00 0.00 N ATOM 1381 CA SER A 87 94.312 29.506 -22.927 1.00 0.00 C ATOM 1382 C SER A 87 93.421 28.381 -22.391 1.00 0.00 C ATOM 1383 O SER A 87 92.297 28.210 -22.827 1.00 0.00 O ATOM 1384 CB SER A 87 95.277 28.964 -23.985 1.00 0.00 C ATOM 1385 OG SER A 87 96.176 29.995 -24.372 1.00 0.00 O ATOM 0 H SER A 87 96.182 29.882 -21.953 1.00 0.00 H new ATOM 0 HA SER A 87 93.649 30.269 -23.335 1.00 0.00 H new ATOM 0 HB2 SER A 87 95.830 28.113 -23.587 1.00 0.00 H new ATOM 0 HB3 SER A 87 94.721 28.606 -24.852 1.00 0.00 H new ATOM 0 HG SER A 87 96.797 29.651 -25.048 1.00 0.00 H new ATOM 1391 N LYS A 88 93.918 27.615 -21.449 1.00 0.00 N ATOM 1392 CA LYS A 88 93.119 26.475 -20.901 1.00 0.00 C ATOM 1393 C LYS A 88 92.347 26.917 -19.654 1.00 0.00 C ATOM 1394 O LYS A 88 92.873 27.609 -18.802 1.00 0.00 O ATOM 1395 CB LYS A 88 94.148 25.402 -20.540 1.00 0.00 C ATOM 1396 CG LYS A 88 94.800 24.866 -21.816 1.00 0.00 C ATOM 1397 CD LYS A 88 95.742 23.713 -21.464 1.00 0.00 C ATOM 1398 CE LYS A 88 96.478 23.250 -22.724 1.00 0.00 C ATOM 1399 NZ LYS A 88 97.632 24.182 -22.858 1.00 0.00 N ATOM 0 H LYS A 88 94.843 27.731 -21.036 1.00 0.00 H new ATOM 0 HA LYS A 88 92.383 26.109 -21.617 1.00 0.00 H new ATOM 0 HB2 LYS A 88 94.908 25.820 -19.879 1.00 0.00 H new ATOM 0 HB3 LYS A 88 93.666 24.589 -19.997 1.00 0.00 H new ATOM 0 HG2 LYS A 88 94.034 24.524 -22.512 1.00 0.00 H new ATOM 0 HG3 LYS A 88 95.353 25.661 -22.316 1.00 0.00 H new ATOM 0 HD2 LYS A 88 96.459 24.033 -20.708 1.00 0.00 H new ATOM 0 HD3 LYS A 88 95.176 22.885 -21.036 1.00 0.00 H new ATOM 0 HE2 LYS A 88 96.813 22.217 -22.629 1.00 0.00 H new ATOM 0 HE3 LYS A 88 95.830 23.295 -23.599 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 97.777 24.413 -23.862 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 97.437 25.054 -22.326 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 98.489 23.730 -22.480 1.00 0.00 H new ATOM 1413 N ASN A 89 91.101 26.520 -19.547 1.00 0.00 N ATOM 1414 CA ASN A 89 90.285 26.889 -18.350 1.00 0.00 C ATOM 1415 C ASN A 89 89.976 25.640 -17.519 1.00 0.00 C ATOM 1416 O ASN A 89 89.637 24.600 -18.054 1.00 0.00 O ATOM 1417 CB ASN A 89 88.996 27.488 -18.917 1.00 0.00 C ATOM 1418 CG ASN A 89 89.309 28.809 -19.625 1.00 0.00 C ATOM 1419 OD1 ASN A 89 90.163 29.558 -19.192 1.00 0.00 O ATOM 1420 ND2 ASN A 89 88.650 29.128 -20.705 1.00 0.00 N ATOM 0 H ASN A 89 90.614 25.954 -20.241 1.00 0.00 H new ATOM 0 HA ASN A 89 90.804 27.588 -17.695 1.00 0.00 H new ATOM 0 HB2 ASN A 89 88.536 26.790 -19.616 1.00 0.00 H new ATOM 0 HB3 ASN A 89 88.278 27.656 -18.115 1.00 0.00 H new ATOM 0 HD21 ASN A 89 88.852 30.005 -21.185 1.00 0.00 H new ATOM 0 HD22 ASN A 89 87.933 28.500 -21.069 1.00 0.00 H new ATOM 1427 N LYS A 90 90.091 25.738 -16.217 1.00 0.00 N ATOM 1428 CA LYS A 90 89.822 24.555 -15.340 1.00 0.00 C ATOM 1429 C LYS A 90 88.408 24.624 -14.748 1.00 0.00 C ATOM 1430 O LYS A 90 88.142 24.053 -13.706 1.00 0.00 O ATOM 1431 CB LYS A 90 90.871 24.639 -14.229 1.00 0.00 C ATOM 1432 CG LYS A 90 92.265 24.415 -14.819 1.00 0.00 C ATOM 1433 CD LYS A 90 93.296 24.376 -13.689 1.00 0.00 C ATOM 1434 CE LYS A 90 94.701 24.258 -14.285 1.00 0.00 C ATOM 1435 NZ LYS A 90 94.855 22.816 -14.623 1.00 0.00 N ATOM 0 H LYS A 90 90.360 26.588 -15.722 1.00 0.00 H new ATOM 0 HA LYS A 90 89.881 23.618 -15.894 1.00 0.00 H new ATOM 0 HB2 LYS A 90 90.823 25.614 -13.743 1.00 0.00 H new ATOM 0 HB3 LYS A 90 90.665 23.891 -13.463 1.00 0.00 H new ATOM 0 HG2 LYS A 90 92.289 23.481 -15.380 1.00 0.00 H new ATOM 0 HG3 LYS A 90 92.508 25.214 -15.520 1.00 0.00 H new ATOM 0 HD2 LYS A 90 93.221 25.279 -13.083 1.00 0.00 H new ATOM 0 HD3 LYS A 90 93.097 23.531 -13.029 1.00 0.00 H new ATOM 0 HE2 LYS A 90 94.808 24.885 -15.170 1.00 0.00 H new ATOM 0 HE3 LYS A 90 95.461 24.580 -13.573 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 95.543 22.379 -13.977 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 93.937 22.337 -14.527 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 95.193 22.723 -15.602 1.00 0.00 H new ATOM 1449 N TRP A 91 87.503 25.316 -15.400 1.00 0.00 N ATOM 1450 CA TRP A 91 86.100 25.410 -14.877 1.00 0.00 C ATOM 1451 C TRP A 91 85.407 24.048 -14.982 1.00 0.00 C ATOM 1452 O TRP A 91 84.710 23.627 -14.077 1.00 0.00 O ATOM 1453 CB TRP A 91 85.398 26.438 -15.768 1.00 0.00 C ATOM 1454 CG TRP A 91 85.631 27.852 -15.341 1.00 0.00 C ATOM 1455 CD1 TRP A 91 86.698 28.606 -15.696 1.00 0.00 C ATOM 1456 CD2 TRP A 91 84.799 28.693 -14.490 1.00 0.00 C ATOM 1457 NE1 TRP A 91 86.580 29.860 -15.118 1.00 0.00 N ATOM 1458 CE2 TRP A 91 85.428 29.969 -14.364 1.00 0.00 C ATOM 1459 CE3 TRP A 91 83.564 28.481 -13.815 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 84.855 31.004 -13.596 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 82.983 29.520 -13.040 1.00 0.00 C ATOM 1462 CH2 TRP A 91 83.628 30.778 -12.930 1.00 0.00 C ATOM 0 H TRP A 91 87.674 25.819 -16.270 1.00 0.00 H new ATOM 0 HA TRP A 91 86.075 25.704 -13.828 1.00 0.00 H new ATOM 0 HB2 TRP A 91 85.744 26.315 -16.794 1.00 0.00 H new ATOM 0 HB3 TRP A 91 84.327 26.238 -15.766 1.00 0.00 H new ATOM 0 HD1 TRP A 91 87.511 28.282 -16.329 1.00 0.00 H new ATOM 0 HE1 TRP A 91 87.261 30.611 -15.235 1.00 0.00 H new ATOM 0 HE3 TRP A 91 83.066 27.526 -13.892 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 85.349 31.961 -13.517 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 82.045 29.351 -12.532 1.00 0.00 H new ATOM 0 HH2 TRP A 91 83.182 31.563 -12.338 1.00 0.00 H new ATOM 1473 N SER A 92 85.596 23.359 -16.082 1.00 0.00 N ATOM 1474 CA SER A 92 84.972 22.012 -16.253 1.00 0.00 C ATOM 1475 C SER A 92 85.736 21.205 -17.306 1.00 0.00 C ATOM 1476 O SER A 92 86.042 21.703 -18.375 1.00 0.00 O ATOM 1477 CB SER A 92 83.546 22.294 -16.723 1.00 0.00 C ATOM 1478 OG SER A 92 82.829 21.069 -16.807 1.00 0.00 O ATOM 0 H SER A 92 86.159 23.675 -16.872 1.00 0.00 H new ATOM 0 HA SER A 92 84.990 21.428 -15.333 1.00 0.00 H new ATOM 0 HB2 SER A 92 83.050 22.973 -16.029 1.00 0.00 H new ATOM 0 HB3 SER A 92 83.562 22.787 -17.695 1.00 0.00 H new ATOM 0 HG SER A 92 81.913 21.246 -17.107 1.00 0.00 H new ATOM 1484 N MET A 93 86.045 19.966 -17.010 1.00 0.00 N ATOM 1485 CA MET A 93 86.786 19.115 -17.990 1.00 0.00 C ATOM 1486 C MET A 93 85.808 18.223 -18.764 1.00 0.00 C ATOM 1487 O MET A 93 85.624 18.384 -19.956 1.00 0.00 O ATOM 1488 CB MET A 93 87.738 18.268 -17.143 1.00 0.00 C ATOM 1489 CG MET A 93 88.802 19.170 -16.513 1.00 0.00 C ATOM 1490 SD MET A 93 90.044 18.147 -15.682 1.00 0.00 S ATOM 1491 CE MET A 93 90.881 17.548 -17.171 1.00 0.00 C ATOM 0 H MET A 93 85.815 19.507 -16.129 1.00 0.00 H new ATOM 0 HA MET A 93 87.323 19.709 -18.730 1.00 0.00 H new ATOM 0 HB2 MET A 93 87.182 17.746 -16.365 1.00 0.00 H new ATOM 0 HB3 MET A 93 88.212 17.506 -17.762 1.00 0.00 H new ATOM 0 HG2 MET A 93 89.275 19.784 -17.280 1.00 0.00 H new ATOM 0 HG3 MET A 93 88.340 19.852 -15.799 1.00 0.00 H new ATOM 0 HE1 MET A 93 91.834 17.096 -16.896 1.00 0.00 H new ATOM 0 HE2 MET A 93 90.256 16.804 -17.665 1.00 0.00 H new ATOM 0 HE3 MET A 93 91.057 18.382 -17.850 1.00 0.00 H new ATOM 1501 N ASP A 94 85.183 17.286 -18.091 1.00 0.00 N ATOM 1502 CA ASP A 94 84.217 16.374 -18.778 1.00 0.00 C ATOM 1503 C ASP A 94 82.784 16.698 -18.347 1.00 0.00 C ATOM 1504 O ASP A 94 82.558 17.243 -17.282 1.00 0.00 O ATOM 1505 CB ASP A 94 84.607 14.965 -18.323 1.00 0.00 C ATOM 1506 CG ASP A 94 85.988 14.606 -18.879 1.00 0.00 C ATOM 1507 OD1 ASP A 94 86.239 14.907 -20.034 1.00 0.00 O ATOM 1508 OD2 ASP A 94 86.772 14.035 -18.139 1.00 0.00 O ATOM 0 H ASP A 94 85.302 17.114 -17.093 1.00 0.00 H new ATOM 0 HA ASP A 94 84.254 16.477 -19.862 1.00 0.00 H new ATOM 0 HB2 ASP A 94 84.618 14.914 -17.234 1.00 0.00 H new ATOM 0 HB3 ASP A 94 83.867 14.243 -18.668 1.00 0.00 H new ATOM 1513 N CYS A 95 81.819 16.366 -19.171 1.00 0.00 N ATOM 1514 CA CYS A 95 80.390 16.634 -18.816 1.00 0.00 C ATOM 1515 C CYS A 95 79.610 15.318 -18.745 1.00 0.00 C ATOM 1516 O CYS A 95 79.649 14.516 -19.660 1.00 0.00 O ATOM 1517 CB CYS A 95 79.859 17.512 -19.950 1.00 0.00 C ATOM 1518 SG CYS A 95 80.361 19.229 -19.673 1.00 0.00 S ATOM 0 H CYS A 95 81.961 15.919 -20.077 1.00 0.00 H new ATOM 0 HA CYS A 95 80.288 17.118 -17.845 1.00 0.00 H new ATOM 0 HB2 CYS A 95 80.244 17.160 -20.907 1.00 0.00 H new ATOM 0 HB3 CYS A 95 78.772 17.443 -19.999 1.00 0.00 H new ATOM 0 HG CYS A 95 79.911 19.974 -20.639 1.00 0.00 H new ATOM 1524 N ASP A 96 78.903 15.096 -17.663 1.00 0.00 N ATOM 1525 CA ASP A 96 78.124 13.826 -17.512 1.00 0.00 C ATOM 1526 C ASP A 96 76.620 14.103 -17.632 1.00 0.00 C ATOM 1527 O ASP A 96 76.185 15.239 -17.576 1.00 0.00 O ATOM 1528 CB ASP A 96 78.478 13.289 -16.114 1.00 0.00 C ATOM 1529 CG ASP A 96 78.090 14.304 -15.031 1.00 0.00 C ATOM 1530 OD1 ASP A 96 78.960 15.045 -14.602 1.00 0.00 O ATOM 1531 OD2 ASP A 96 76.931 14.323 -14.651 1.00 0.00 O ATOM 0 H ASP A 96 78.832 15.741 -16.876 1.00 0.00 H new ATOM 0 HA ASP A 96 78.369 13.102 -18.289 1.00 0.00 H new ATOM 0 HB2 ASP A 96 77.960 12.346 -15.939 1.00 0.00 H new ATOM 0 HB3 ASP A 96 79.546 13.080 -16.058 1.00 0.00 H new ATOM 1536 N GLU A 97 75.829 13.070 -17.795 1.00 0.00 N ATOM 1537 CA GLU A 97 74.350 13.255 -17.914 1.00 0.00 C ATOM 1538 C GLU A 97 73.650 12.715 -16.664 1.00 0.00 C ATOM 1539 O GLU A 97 74.201 11.913 -15.934 1.00 0.00 O ATOM 1540 CB GLU A 97 73.945 12.445 -19.148 1.00 0.00 C ATOM 1541 CG GLU A 97 74.552 13.075 -20.406 1.00 0.00 C ATOM 1542 CD GLU A 97 73.880 14.424 -20.689 1.00 0.00 C ATOM 1543 OE1 GLU A 97 74.588 15.351 -21.047 1.00 0.00 O ATOM 1544 OE2 GLU A 97 72.671 14.505 -20.544 1.00 0.00 O ATOM 0 H GLU A 97 76.147 12.102 -17.851 1.00 0.00 H new ATOM 0 HA GLU A 97 74.071 14.305 -18.008 1.00 0.00 H new ATOM 0 HB2 GLU A 97 74.286 11.415 -19.046 1.00 0.00 H new ATOM 0 HB3 GLU A 97 72.859 12.414 -19.234 1.00 0.00 H new ATOM 0 HG2 GLU A 97 75.625 13.214 -20.273 1.00 0.00 H new ATOM 0 HG3 GLU A 97 74.421 12.407 -21.258 1.00 0.00 H new ATOM 1551 N GLU A 98 72.438 13.152 -16.417 1.00 0.00 N ATOM 1552 CA GLU A 98 71.690 12.675 -15.214 1.00 0.00 C ATOM 1553 C GLU A 98 70.776 11.505 -15.588 1.00 0.00 C ATOM 1554 O GLU A 98 70.237 11.455 -16.677 1.00 0.00 O ATOM 1555 CB GLU A 98 70.862 13.877 -14.754 1.00 0.00 C ATOM 1556 CG GLU A 98 71.795 14.985 -14.255 1.00 0.00 C ATOM 1557 CD GLU A 98 70.968 16.149 -13.701 1.00 0.00 C ATOM 1558 OE1 GLU A 98 71.399 16.742 -12.724 1.00 0.00 O ATOM 1559 OE2 GLU A 98 69.922 16.435 -14.263 1.00 0.00 O ATOM 0 H GLU A 98 71.934 13.821 -17.000 1.00 0.00 H new ATOM 0 HA GLU A 98 72.358 12.318 -14.430 1.00 0.00 H new ATOM 0 HB2 GLU A 98 70.251 14.246 -15.577 1.00 0.00 H new ATOM 0 HB3 GLU A 98 70.179 13.578 -13.959 1.00 0.00 H new ATOM 0 HG2 GLU A 98 72.456 14.595 -13.481 1.00 0.00 H new ATOM 0 HG3 GLU A 98 72.430 15.333 -15.070 1.00 0.00 H new ATOM 1566 N PHE A 99 70.603 10.566 -14.689 1.00 0.00 N ATOM 1567 CA PHE A 99 69.726 9.390 -14.977 1.00 0.00 C ATOM 1568 C PHE A 99 68.561 9.344 -13.984 1.00 0.00 C ATOM 1569 O PHE A 99 68.666 9.826 -12.871 1.00 0.00 O ATOM 1570 CB PHE A 99 70.629 8.170 -14.799 1.00 0.00 C ATOM 1571 CG PHE A 99 71.783 8.127 -15.771 1.00 0.00 C ATOM 1572 CD1 PHE A 99 71.605 7.562 -17.058 1.00 0.00 C ATOM 1573 CD2 PHE A 99 73.044 8.652 -15.397 1.00 0.00 C ATOM 1574 CE1 PHE A 99 72.688 7.522 -17.970 1.00 0.00 C ATOM 1575 CE2 PHE A 99 74.127 8.612 -16.309 1.00 0.00 C ATOM 1576 CZ PHE A 99 73.949 8.047 -17.596 1.00 0.00 C ATOM 0 H PHE A 99 71.034 10.565 -13.765 1.00 0.00 H new ATOM 0 HA PHE A 99 69.291 9.434 -15.976 1.00 0.00 H new ATOM 0 HB2 PHE A 99 71.021 8.163 -13.782 1.00 0.00 H new ATOM 0 HB3 PHE A 99 70.032 7.266 -14.916 1.00 0.00 H new ATOM 0 HD1 PHE A 99 70.643 7.162 -17.344 1.00 0.00 H new ATOM 0 HD2 PHE A 99 73.180 9.083 -14.416 1.00 0.00 H new ATOM 0 HE1 PHE A 99 72.552 7.091 -18.951 1.00 0.00 H new ATOM 0 HE2 PHE A 99 75.089 9.012 -16.023 1.00 0.00 H new ATOM 0 HZ PHE A 99 74.775 8.017 -18.292 1.00 0.00 H new ATOM 1586 N ASP A 100 67.452 8.767 -14.382 1.00 0.00 N ATOM 1587 CA ASP A 100 66.272 8.682 -13.467 1.00 0.00 C ATOM 1588 C ASP A 100 66.355 7.412 -12.616 1.00 0.00 C ATOM 1589 O ASP A 100 66.290 6.309 -13.127 1.00 0.00 O ATOM 1590 CB ASP A 100 65.051 8.633 -14.390 1.00 0.00 C ATOM 1591 CG ASP A 100 63.773 8.757 -13.557 1.00 0.00 C ATOM 1592 OD1 ASP A 100 63.390 9.876 -13.258 1.00 0.00 O ATOM 1593 OD2 ASP A 100 63.198 7.730 -13.234 1.00 0.00 O ATOM 0 H ASP A 100 67.314 8.351 -15.303 1.00 0.00 H new ATOM 0 HA ASP A 100 66.224 9.525 -12.777 1.00 0.00 H new ATOM 0 HB2 ASP A 100 65.101 9.441 -15.120 1.00 0.00 H new ATOM 0 HB3 ASP A 100 65.043 7.698 -14.950 1.00 0.00 H new ATOM 1598 N PHE A 101 66.500 7.563 -11.322 1.00 0.00 N ATOM 1599 CA PHE A 101 66.583 6.373 -10.422 1.00 0.00 C ATOM 1600 C PHE A 101 65.834 6.644 -9.114 1.00 0.00 C ATOM 1601 O PHE A 101 64.874 5.970 -8.791 1.00 0.00 O ATOM 1602 CB PHE A 101 68.076 6.179 -10.158 1.00 0.00 C ATOM 1603 CG PHE A 101 68.388 4.946 -9.342 1.00 0.00 C ATOM 1604 CD1 PHE A 101 68.556 5.050 -7.940 1.00 0.00 C ATOM 1605 CD2 PHE A 101 68.513 3.688 -9.979 1.00 0.00 C ATOM 1606 CE1 PHE A 101 68.849 3.895 -7.174 1.00 0.00 C ATOM 1607 CE2 PHE A 101 68.806 2.533 -9.213 1.00 0.00 C ATOM 1608 CZ PHE A 101 68.974 2.636 -7.810 1.00 0.00 C ATOM 0 H PHE A 101 66.565 8.465 -10.849 1.00 0.00 H new ATOM 0 HA PHE A 101 66.130 5.487 -10.867 1.00 0.00 H new ATOM 0 HB2 PHE A 101 68.600 6.116 -11.111 1.00 0.00 H new ATOM 0 HB3 PHE A 101 68.462 7.056 -9.639 1.00 0.00 H new ATOM 0 HD1 PHE A 101 68.461 6.010 -7.455 1.00 0.00 H new ATOM 0 HD2 PHE A 101 68.385 3.609 -11.048 1.00 0.00 H new ATOM 0 HE1 PHE A 101 68.977 3.975 -6.105 1.00 0.00 H new ATOM 0 HE2 PHE A 101 68.901 1.573 -9.699 1.00 0.00 H new ATOM 0 HZ PHE A 101 69.197 1.755 -7.226 1.00 0.00 H new ATOM 1618 N ALA A 102 66.269 7.628 -8.365 1.00 0.00 N ATOM 1619 CA ALA A 102 65.588 7.960 -7.075 1.00 0.00 C ATOM 1620 C ALA A 102 64.989 9.370 -7.133 1.00 0.00 C ATOM 1621 O ALA A 102 64.903 10.055 -6.130 1.00 0.00 O ATOM 1622 CB ALA A 102 66.691 7.889 -6.018 1.00 0.00 C ATOM 0 H ALA A 102 67.070 8.218 -8.593 1.00 0.00 H new ATOM 0 HA ALA A 102 64.766 7.278 -6.856 1.00 0.00 H new ATOM 0 HB1 ALA A 102 66.272 8.121 -5.039 1.00 0.00 H new ATOM 0 HB2 ALA A 102 67.116 6.885 -6.003 1.00 0.00 H new ATOM 0 HB3 ALA A 102 67.472 8.610 -6.258 1.00 0.00 H new ATOM 1628 N ALA A 103 64.576 9.804 -8.300 1.00 0.00 N ATOM 1629 CA ALA A 103 63.982 11.170 -8.433 1.00 0.00 C ATOM 1630 C ALA A 103 62.455 11.090 -8.374 1.00 0.00 C ATOM 1631 O ALA A 103 61.817 10.596 -9.287 1.00 0.00 O ATOM 1632 CB ALA A 103 64.441 11.672 -9.803 1.00 0.00 C ATOM 0 H ALA A 103 64.625 9.269 -9.167 1.00 0.00 H new ATOM 0 HA ALA A 103 64.296 11.837 -7.630 1.00 0.00 H new ATOM 0 HB1 ALA A 103 64.044 12.673 -9.975 1.00 0.00 H new ATOM 0 HB2 ALA A 103 65.530 11.703 -9.833 1.00 0.00 H new ATOM 0 HB3 ALA A 103 64.076 10.998 -10.578 1.00 0.00 H new ATOM 1638 N ASN A 104 61.868 11.570 -7.306 1.00 0.00 N ATOM 1639 CA ASN A 104 60.380 11.529 -7.175 1.00 0.00 C ATOM 1640 C ASN A 104 59.878 12.777 -6.442 1.00 0.00 C ATOM 1641 O ASN A 104 60.074 12.924 -5.249 1.00 0.00 O ATOM 1642 CB ASN A 104 60.090 10.271 -6.353 1.00 0.00 C ATOM 1643 CG ASN A 104 58.602 9.930 -6.452 1.00 0.00 C ATOM 1644 OD1 ASN A 104 57.870 9.938 -5.372 1.00 0.00 O flip ATOM 1645 ND2 ASN A 104 58.099 9.652 -7.523 1.00 0.00 N flip ATOM 0 H ASN A 104 62.358 11.990 -6.516 1.00 0.00 H new ATOM 0 HA ASN A 104 59.880 11.508 -8.144 1.00 0.00 H new ATOM 0 HB2 ASN A 104 60.690 9.438 -6.719 1.00 0.00 H new ATOM 0 HB3 ASN A 104 60.369 10.432 -5.312 1.00 0.00 H new ATOM 0 HD21 ASN A 104 58.670 9.645 -8.368 1.00 0.00 H new ATOM 0 HD22 ASN A 104 57.106 9.425 -7.577 1.00 0.00 H new ATOM 1652 N LEU A 105 59.234 13.674 -7.150 1.00 0.00 N ATOM 1653 CA LEU A 105 58.703 14.918 -6.501 1.00 0.00 C ATOM 1654 C LEU A 105 57.611 14.561 -5.485 1.00 0.00 C ATOM 1655 O LEU A 105 57.527 15.148 -4.422 1.00 0.00 O ATOM 1656 CB LEU A 105 58.120 15.756 -7.644 1.00 0.00 C ATOM 1657 CG LEU A 105 57.799 17.168 -7.139 1.00 0.00 C ATOM 1658 CD1 LEU A 105 57.856 18.154 -8.307 1.00 0.00 C ATOM 1659 CD2 LEU A 105 56.395 17.187 -6.525 1.00 0.00 C ATOM 0 H LEU A 105 59.052 13.599 -8.151 1.00 0.00 H new ATOM 0 HA LEU A 105 59.479 15.459 -5.959 1.00 0.00 H new ATOM 0 HB2 LEU A 105 58.830 15.807 -8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 105 57.217 15.283 -8.030 1.00 0.00 H new ATOM 0 HG LEU A 105 58.530 17.456 -6.383 1.00 0.00 H new ATOM 0 HD11 LEU A 105 57.628 19.157 -7.948 1.00 0.00 H new ATOM 0 HD12 LEU A 105 58.855 18.143 -8.744 1.00 0.00 H new ATOM 0 HD13 LEU A 105 57.126 17.865 -9.063 1.00 0.00 H new ATOM 0 HD21 LEU A 105 56.168 18.191 -6.167 1.00 0.00 H new ATOM 0 HD22 LEU A 105 55.664 16.897 -7.280 1.00 0.00 H new ATOM 0 HD23 LEU A 105 56.353 16.486 -5.691 1.00 0.00 H new ATOM 1671 N GLU A 106 56.774 13.598 -5.811 1.00 0.00 N ATOM 1672 CA GLU A 106 55.672 13.168 -4.879 1.00 0.00 C ATOM 1673 C GLU A 106 54.832 14.373 -4.429 1.00 0.00 C ATOM 1674 O GLU A 106 55.148 15.030 -3.454 1.00 0.00 O ATOM 1675 CB GLU A 106 56.378 12.521 -3.681 1.00 0.00 C ATOM 1676 CG GLU A 106 55.342 11.855 -2.772 1.00 0.00 C ATOM 1677 CD GLU A 106 56.029 11.325 -1.511 1.00 0.00 C ATOM 1678 OE1 GLU A 106 55.713 10.216 -1.111 1.00 0.00 O ATOM 1679 OE2 GLU A 106 56.856 12.037 -0.966 1.00 0.00 O ATOM 0 H GLU A 106 56.807 13.086 -6.692 1.00 0.00 H new ATOM 0 HA GLU A 106 54.983 12.477 -5.365 1.00 0.00 H new ATOM 0 HB2 GLU A 106 57.101 11.782 -4.028 1.00 0.00 H new ATOM 0 HB3 GLU A 106 56.935 13.275 -3.124 1.00 0.00 H new ATOM 0 HG2 GLU A 106 54.567 12.572 -2.502 1.00 0.00 H new ATOM 0 HG3 GLU A 106 54.851 11.038 -3.301 1.00 0.00 H new ATOM 1686 N LYS A 107 53.768 14.662 -5.137 1.00 0.00 N ATOM 1687 CA LYS A 107 52.886 15.805 -4.752 1.00 0.00 C ATOM 1688 C LYS A 107 51.673 15.295 -3.969 1.00 0.00 C ATOM 1689 O LYS A 107 51.040 14.328 -4.356 1.00 0.00 O ATOM 1690 CB LYS A 107 52.447 16.431 -6.076 1.00 0.00 C ATOM 1691 CG LYS A 107 51.736 17.758 -5.804 1.00 0.00 C ATOM 1692 CD LYS A 107 51.230 18.347 -7.122 1.00 0.00 C ATOM 1693 CE LYS A 107 50.652 19.741 -6.870 1.00 0.00 C ATOM 1694 NZ LYS A 107 51.829 20.655 -6.894 1.00 0.00 N ATOM 0 H LYS A 107 53.472 14.152 -5.969 1.00 0.00 H new ATOM 0 HA LYS A 107 53.397 16.525 -4.112 1.00 0.00 H new ATOM 0 HB2 LYS A 107 53.313 16.595 -6.717 1.00 0.00 H new ATOM 0 HB3 LYS A 107 51.781 15.752 -6.608 1.00 0.00 H new ATOM 0 HG2 LYS A 107 50.902 17.602 -5.120 1.00 0.00 H new ATOM 0 HG3 LYS A 107 52.419 18.456 -5.320 1.00 0.00 H new ATOM 0 HD2 LYS A 107 52.045 18.405 -7.843 1.00 0.00 H new ATOM 0 HD3 LYS A 107 50.468 17.698 -7.554 1.00 0.00 H new ATOM 0 HE2 LYS A 107 49.926 20.012 -7.636 1.00 0.00 H new ATOM 0 HE3 LYS A 107 50.136 19.787 -5.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 51.703 21.402 -6.182 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 52.692 20.115 -6.680 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 51.915 21.086 -7.837 1.00 0.00 H new ATOM 1708 N PHE A 108 51.347 15.937 -2.874 1.00 0.00 N ATOM 1709 CA PHE A 108 50.176 15.496 -2.057 1.00 0.00 C ATOM 1710 C PHE A 108 48.970 16.398 -2.335 1.00 0.00 C ATOM 1711 O PHE A 108 49.037 17.602 -2.167 1.00 0.00 O ATOM 1712 CB PHE A 108 50.630 15.640 -0.605 1.00 0.00 C ATOM 1713 CG PHE A 108 51.794 14.747 -0.246 1.00 0.00 C ATOM 1714 CD1 PHE A 108 51.562 13.410 0.164 1.00 0.00 C ATOM 1715 CD2 PHE A 108 53.117 15.245 -0.319 1.00 0.00 C ATOM 1716 CE1 PHE A 108 52.654 12.574 0.501 1.00 0.00 C ATOM 1717 CE2 PHE A 108 54.209 14.408 0.017 1.00 0.00 C ATOM 1718 CZ PHE A 108 53.978 13.072 0.427 1.00 0.00 C ATOM 0 H PHE A 108 51.844 16.750 -2.510 1.00 0.00 H new ATOM 0 HA PHE A 108 49.870 14.476 -2.288 1.00 0.00 H new ATOM 0 HB2 PHE A 108 50.908 16.678 -0.421 1.00 0.00 H new ATOM 0 HB3 PHE A 108 49.792 15.413 0.054 1.00 0.00 H new ATOM 0 HD1 PHE A 108 50.553 13.029 0.219 1.00 0.00 H new ATOM 0 HD2 PHE A 108 53.294 16.264 -0.631 1.00 0.00 H new ATOM 0 HE1 PHE A 108 52.477 11.556 0.815 1.00 0.00 H new ATOM 0 HE2 PHE A 108 55.218 14.789 -0.039 1.00 0.00 H new ATOM 0 HZ PHE A 108 54.811 12.434 0.683 1.00 0.00 H new ATOM 1728 N ASP A 109 47.871 15.821 -2.757 1.00 0.00 N ATOM 1729 CA ASP A 109 46.650 16.633 -3.045 1.00 0.00 C ATOM 1730 C ASP A 109 45.686 16.578 -1.855 1.00 0.00 C ATOM 1731 O ASP A 109 45.153 15.534 -1.529 1.00 0.00 O ATOM 1732 CB ASP A 109 46.023 15.980 -4.277 1.00 0.00 C ATOM 1733 CG ASP A 109 44.879 16.854 -4.796 1.00 0.00 C ATOM 1734 OD1 ASP A 109 45.158 17.783 -5.536 1.00 0.00 O ATOM 1735 OD2 ASP A 109 43.743 16.580 -4.444 1.00 0.00 O ATOM 0 H ASP A 109 47.768 14.819 -2.915 1.00 0.00 H new ATOM 0 HA ASP A 109 46.882 17.684 -3.216 1.00 0.00 H new ATOM 0 HB2 ASP A 109 46.776 15.849 -5.054 1.00 0.00 H new ATOM 0 HB3 ASP A 109 45.650 14.987 -4.025 1.00 0.00 H new ATOM 1740 N LYS A 110 45.463 17.697 -1.209 1.00 0.00 N ATOM 1741 CA LYS A 110 44.515 17.730 -0.052 1.00 0.00 C ATOM 1742 C LYS A 110 43.387 18.729 -0.323 1.00 0.00 C ATOM 1743 O LYS A 110 43.624 19.912 -0.489 1.00 0.00 O ATOM 1744 CB LYS A 110 45.358 18.184 1.141 1.00 0.00 C ATOM 1745 CG LYS A 110 46.382 17.101 1.488 1.00 0.00 C ATOM 1746 CD LYS A 110 47.145 17.504 2.751 1.00 0.00 C ATOM 1747 CE LYS A 110 48.241 16.477 3.037 1.00 0.00 C ATOM 1748 NZ LYS A 110 48.553 16.641 4.485 1.00 0.00 N ATOM 0 H LYS A 110 45.898 18.591 -1.434 1.00 0.00 H new ATOM 0 HA LYS A 110 44.047 16.762 0.126 1.00 0.00 H new ATOM 0 HB2 LYS A 110 45.868 19.118 0.905 1.00 0.00 H new ATOM 0 HB3 LYS A 110 44.716 18.380 2.000 1.00 0.00 H new ATOM 0 HG2 LYS A 110 45.879 16.147 1.644 1.00 0.00 H new ATOM 0 HG3 LYS A 110 47.077 16.964 0.659 1.00 0.00 H new ATOM 0 HD2 LYS A 110 47.584 18.493 2.623 1.00 0.00 H new ATOM 0 HD3 LYS A 110 46.461 17.566 3.597 1.00 0.00 H new ATOM 0 HE2 LYS A 110 47.900 15.465 2.819 1.00 0.00 H new ATOM 0 HE3 LYS A 110 49.122 16.657 2.420 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 49.298 15.969 4.758 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 48.881 17.612 4.662 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 47.698 16.457 5.047 1.00 0.00 H new ATOM 1762 N LYS A 111 42.164 18.258 -0.368 1.00 0.00 N ATOM 1763 CA LYS A 111 41.008 19.174 -0.617 1.00 0.00 C ATOM 1764 C LYS A 111 40.427 19.665 0.711 1.00 0.00 C ATOM 1765 O LYS A 111 40.073 20.822 0.852 1.00 0.00 O ATOM 1766 CB LYS A 111 39.982 18.327 -1.373 1.00 0.00 C ATOM 1767 CG LYS A 111 40.527 17.978 -2.760 1.00 0.00 C ATOM 1768 CD LYS A 111 39.458 17.224 -3.554 1.00 0.00 C ATOM 1769 CE LYS A 111 40.043 16.768 -4.893 1.00 0.00 C ATOM 1770 NZ LYS A 111 38.867 16.613 -5.793 1.00 0.00 N ATOM 0 H LYS A 111 41.917 17.276 -0.243 1.00 0.00 H new ATOM 0 HA LYS A 111 41.298 20.059 -1.183 1.00 0.00 H new ATOM 0 HB2 LYS A 111 39.767 17.415 -0.816 1.00 0.00 H new ATOM 0 HB3 LYS A 111 39.043 18.873 -1.467 1.00 0.00 H new ATOM 0 HG2 LYS A 111 40.814 18.887 -3.289 1.00 0.00 H new ATOM 0 HG3 LYS A 111 41.424 17.367 -2.666 1.00 0.00 H new ATOM 0 HD2 LYS A 111 39.108 16.362 -2.986 1.00 0.00 H new ATOM 0 HD3 LYS A 111 38.594 17.867 -3.723 1.00 0.00 H new ATOM 0 HE2 LYS A 111 40.747 17.501 -5.286 1.00 0.00 H new ATOM 0 HE3 LYS A 111 40.586 15.829 -4.787 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 39.187 16.302 -6.732 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 38.217 15.904 -5.396 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 38.374 17.524 -5.880 1.00 0.00 H new ATOM 1784 N GLN A 112 40.328 18.791 1.684 1.00 0.00 N ATOM 1785 CA GLN A 112 39.786 19.194 3.018 1.00 0.00 C ATOM 1786 C GLN A 112 40.785 18.836 4.122 1.00 0.00 C ATOM 1787 O GLN A 112 41.499 17.855 4.026 1.00 0.00 O ATOM 1788 CB GLN A 112 38.494 18.391 3.183 1.00 0.00 C ATOM 1789 CG GLN A 112 37.465 18.855 2.150 1.00 0.00 C ATOM 1790 CD GLN A 112 36.155 18.090 2.352 1.00 0.00 C ATOM 1791 OE1 GLN A 112 35.760 17.822 3.469 1.00 0.00 O ATOM 1792 NE2 GLN A 112 35.460 17.724 1.309 1.00 0.00 N ATOM 0 H GLN A 112 40.601 17.811 1.610 1.00 0.00 H new ATOM 0 HA GLN A 112 39.608 20.267 3.084 1.00 0.00 H new ATOM 0 HB2 GLN A 112 38.696 17.327 3.057 1.00 0.00 H new ATOM 0 HB3 GLN A 112 38.098 18.523 4.190 1.00 0.00 H new ATOM 0 HG2 GLN A 112 37.292 19.926 2.250 1.00 0.00 H new ATOM 0 HG3 GLN A 112 37.845 18.687 1.142 1.00 0.00 H new ATOM 0 HE21 GLN A 112 35.791 17.949 0.371 1.00 0.00 H new ATOM 0 HE22 GLN A 112 34.586 17.213 1.432 1.00 0.00 H new ATOM 1801 N VAL A 113 40.837 19.627 5.167 1.00 0.00 N ATOM 1802 CA VAL A 113 41.783 19.338 6.293 1.00 0.00 C ATOM 1803 C VAL A 113 41.050 19.422 7.637 1.00 0.00 C ATOM 1804 O VAL A 113 40.175 20.249 7.823 1.00 0.00 O ATOM 1805 CB VAL A 113 42.882 20.411 6.202 1.00 0.00 C ATOM 1806 CG1 VAL A 113 43.648 20.250 4.887 1.00 0.00 C ATOM 1807 CG2 VAL A 113 42.265 21.816 6.259 1.00 0.00 C ATOM 0 H VAL A 113 40.264 20.462 5.289 1.00 0.00 H new ATOM 0 HA VAL A 113 42.202 18.334 6.223 1.00 0.00 H new ATOM 0 HB VAL A 113 43.562 20.287 7.045 1.00 0.00 H new ATOM 0 HG11 VAL A 113 44.426 21.011 4.824 1.00 0.00 H new ATOM 0 HG12 VAL A 113 44.104 19.261 4.850 1.00 0.00 H new ATOM 0 HG13 VAL A 113 42.960 20.364 4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 113 43.056 22.564 6.193 1.00 0.00 H new ATOM 0 HG22 VAL A 113 41.574 21.944 5.425 1.00 0.00 H new ATOM 0 HG23 VAL A 113 41.726 21.939 7.199 1.00 0.00 H new ATOM 1817 N PHE A 114 41.403 18.571 8.569 1.00 0.00 N ATOM 1818 CA PHE A 114 40.745 18.598 9.911 1.00 0.00 C ATOM 1819 C PHE A 114 41.711 18.092 10.987 1.00 0.00 C ATOM 1820 O PHE A 114 42.679 17.415 10.692 1.00 0.00 O ATOM 1821 CB PHE A 114 39.536 17.665 9.782 1.00 0.00 C ATOM 1822 CG PHE A 114 39.895 16.244 9.407 1.00 0.00 C ATOM 1823 CD1 PHE A 114 40.052 15.263 10.416 1.00 0.00 C ATOM 1824 CD2 PHE A 114 40.073 15.894 8.045 1.00 0.00 C ATOM 1825 CE1 PHE A 114 40.388 13.932 10.063 1.00 0.00 C ATOM 1826 CE2 PHE A 114 40.409 14.564 7.694 1.00 0.00 C ATOM 1827 CZ PHE A 114 40.566 13.583 8.702 1.00 0.00 C ATOM 0 H PHE A 114 42.122 17.856 8.457 1.00 0.00 H new ATOM 0 HA PHE A 114 40.449 19.605 10.205 1.00 0.00 H new ATOM 0 HB2 PHE A 114 38.995 17.655 10.728 1.00 0.00 H new ATOM 0 HB3 PHE A 114 38.857 18.068 9.031 1.00 0.00 H new ATOM 0 HD1 PHE A 114 39.916 15.529 11.454 1.00 0.00 H new ATOM 0 HD2 PHE A 114 39.952 16.642 7.275 1.00 0.00 H new ATOM 0 HE1 PHE A 114 40.508 13.184 10.832 1.00 0.00 H new ATOM 0 HE2 PHE A 114 40.546 14.298 6.656 1.00 0.00 H new ATOM 0 HZ PHE A 114 40.821 12.569 8.433 1.00 0.00 H new ATOM 1837 N ALA A 115 41.452 18.418 12.231 1.00 0.00 N ATOM 1838 CA ALA A 115 42.337 17.945 13.339 1.00 0.00 C ATOM 1839 C ALA A 115 41.657 16.807 14.106 1.00 0.00 C ATOM 1840 O ALA A 115 40.498 16.897 14.465 1.00 0.00 O ATOM 1841 CB ALA A 115 42.525 19.163 14.243 1.00 0.00 C ATOM 0 H ALA A 115 40.663 18.993 12.526 1.00 0.00 H new ATOM 0 HA ALA A 115 43.288 17.559 12.973 1.00 0.00 H new ATOM 0 HB1 ALA A 115 43.166 18.897 15.084 1.00 0.00 H new ATOM 0 HB2 ALA A 115 42.988 19.970 13.675 1.00 0.00 H new ATOM 0 HB3 ALA A 115 41.555 19.492 14.616 1.00 0.00 H new ATOM 1847 N GLU A 116 42.375 15.738 14.357 1.00 0.00 N ATOM 1848 CA GLU A 116 41.776 14.582 15.100 1.00 0.00 C ATOM 1849 C GLU A 116 41.510 14.971 16.558 1.00 0.00 C ATOM 1850 O GLU A 116 40.504 14.596 17.132 1.00 0.00 O ATOM 1851 CB GLU A 116 42.820 13.464 15.029 1.00 0.00 C ATOM 1852 CG GLU A 116 42.966 12.991 13.579 1.00 0.00 C ATOM 1853 CD GLU A 116 43.936 11.806 13.513 1.00 0.00 C ATOM 1854 OE1 GLU A 116 43.696 10.915 12.715 1.00 0.00 O ATOM 1855 OE2 GLU A 116 44.906 11.814 14.255 1.00 0.00 O ATOM 0 H GLU A 116 43.349 15.615 14.080 1.00 0.00 H new ATOM 0 HA GLU A 116 40.823 14.272 14.670 1.00 0.00 H new ATOM 0 HB2 GLU A 116 43.779 13.823 15.404 1.00 0.00 H new ATOM 0 HB3 GLU A 116 42.520 12.632 15.666 1.00 0.00 H new ATOM 0 HG2 GLU A 116 41.994 12.699 13.183 1.00 0.00 H new ATOM 0 HG3 GLU A 116 43.332 13.807 12.956 1.00 0.00 H new ATOM 1862 N PHE A 117 42.406 15.720 17.154 1.00 0.00 N ATOM 1863 CA PHE A 117 42.213 16.153 18.575 1.00 0.00 C ATOM 1864 C PHE A 117 43.148 17.322 18.906 1.00 0.00 C ATOM 1865 O PHE A 117 43.604 17.462 20.027 1.00 0.00 O ATOM 1866 CB PHE A 117 42.562 14.924 19.423 1.00 0.00 C ATOM 1867 CG PHE A 117 43.968 14.408 19.206 1.00 0.00 C ATOM 1868 CD1 PHE A 117 44.234 13.502 18.150 1.00 0.00 C ATOM 1869 CD2 PHE A 117 45.017 14.829 20.058 1.00 0.00 C ATOM 1870 CE1 PHE A 117 45.550 13.019 17.946 1.00 0.00 C ATOM 1871 CE2 PHE A 117 46.333 14.346 19.855 1.00 0.00 C ATOM 1872 CZ PHE A 117 46.599 13.441 18.798 1.00 0.00 C ATOM 0 H PHE A 117 43.266 16.051 16.716 1.00 0.00 H new ATOM 0 HA PHE A 117 41.196 16.498 18.764 1.00 0.00 H new ATOM 0 HB2 PHE A 117 42.436 15.174 20.476 1.00 0.00 H new ATOM 0 HB3 PHE A 117 41.854 14.126 19.198 1.00 0.00 H new ATOM 0 HD1 PHE A 117 43.434 13.180 17.501 1.00 0.00 H new ATOM 0 HD2 PHE A 117 44.814 15.519 20.864 1.00 0.00 H new ATOM 0 HE1 PHE A 117 45.753 12.329 17.141 1.00 0.00 H new ATOM 0 HE2 PHE A 117 47.133 14.667 20.505 1.00 0.00 H new ATOM 0 HZ PHE A 117 47.602 13.073 18.642 1.00 0.00 H new ATOM 1882 N ARG A 118 43.436 18.160 17.938 1.00 0.00 N ATOM 1883 CA ARG A 118 44.353 19.316 18.181 1.00 0.00 C ATOM 1884 C ARG A 118 43.574 20.637 18.171 1.00 0.00 C ATOM 1885 O ARG A 118 44.115 21.678 17.845 1.00 0.00 O ATOM 1886 CB ARG A 118 45.356 19.278 17.026 1.00 0.00 C ATOM 1887 CG ARG A 118 46.221 18.021 17.137 1.00 0.00 C ATOM 1888 CD ARG A 118 47.290 18.036 16.039 1.00 0.00 C ATOM 1889 NE ARG A 118 47.928 16.680 16.088 1.00 0.00 N ATOM 1890 CZ ARG A 118 48.650 16.223 15.082 1.00 0.00 C ATOM 1891 NH1 ARG A 118 48.847 16.934 13.995 1.00 0.00 N ATOM 1892 NH2 ARG A 118 49.181 15.035 15.169 1.00 0.00 N ATOM 0 H ARG A 118 43.073 18.091 16.987 1.00 0.00 H new ATOM 0 HA ARG A 118 44.843 19.249 19.153 1.00 0.00 H new ATOM 0 HB2 ARG A 118 44.828 19.285 16.072 1.00 0.00 H new ATOM 0 HB3 ARG A 118 45.985 20.168 17.048 1.00 0.00 H new ATOM 0 HG2 ARG A 118 46.693 17.978 18.118 1.00 0.00 H new ATOM 0 HG3 ARG A 118 45.600 17.130 17.042 1.00 0.00 H new ATOM 0 HD2 ARG A 118 46.847 18.227 15.062 1.00 0.00 H new ATOM 0 HD3 ARG A 118 48.024 18.822 16.215 1.00 0.00 H new ATOM 0 HE ARG A 118 47.801 16.098 16.916 1.00 0.00 H new ATOM 0 HH11 ARG A 118 48.437 17.865 13.913 1.00 0.00 H new ATOM 0 HH12 ARG A 118 49.410 16.555 13.233 1.00 0.00 H new ATOM 0 HH21 ARG A 118 49.036 14.472 16.007 1.00 0.00 H new ATOM 0 HH22 ARG A 118 49.741 14.669 14.399 1.00 0.00 H new ATOM 1906 N GLU A 119 42.309 20.602 18.522 1.00 0.00 N ATOM 1907 CA GLU A 119 41.489 21.857 18.526 1.00 0.00 C ATOM 1908 C GLU A 119 41.979 22.805 19.626 1.00 0.00 C ATOM 1909 O GLU A 119 42.053 24.004 19.433 1.00 0.00 O ATOM 1910 CB GLU A 119 40.053 21.404 18.807 1.00 0.00 C ATOM 1911 CG GLU A 119 39.097 22.587 18.626 1.00 0.00 C ATOM 1912 CD GLU A 119 37.681 22.170 19.032 1.00 0.00 C ATOM 1913 OE1 GLU A 119 36.754 22.524 18.321 1.00 0.00 O ATOM 1914 OE2 GLU A 119 37.546 21.506 20.048 1.00 0.00 O ATOM 0 H GLU A 119 41.809 19.759 18.806 1.00 0.00 H new ATOM 0 HA GLU A 119 41.563 22.397 17.582 1.00 0.00 H new ATOM 0 HB2 GLU A 119 39.778 20.594 18.132 1.00 0.00 H new ATOM 0 HB3 GLU A 119 39.976 21.013 19.822 1.00 0.00 H new ATOM 0 HG2 GLU A 119 39.427 23.430 19.233 1.00 0.00 H new ATOM 0 HG3 GLU A 119 39.106 22.919 17.588 1.00 0.00 H new ATOM 1921 N LYS A 120 42.313 22.269 20.776 1.00 0.00 N ATOM 1922 CA LYS A 120 42.813 23.125 21.895 1.00 0.00 C ATOM 1923 C LYS A 120 44.314 22.898 22.102 1.00 0.00 C ATOM 1924 O LYS A 120 45.064 23.831 22.324 1.00 0.00 O ATOM 1925 CB LYS A 120 42.025 22.669 23.127 1.00 0.00 C ATOM 1926 CG LYS A 120 40.718 23.464 23.230 1.00 0.00 C ATOM 1927 CD LYS A 120 39.617 22.753 22.438 1.00 0.00 C ATOM 1928 CE LYS A 120 38.992 21.655 23.303 1.00 0.00 C ATOM 1929 NZ LYS A 120 37.971 22.355 24.132 1.00 0.00 N ATOM 0 H LYS A 120 42.260 21.272 20.987 1.00 0.00 H new ATOM 0 HA LYS A 120 42.676 24.188 21.696 1.00 0.00 H new ATOM 0 HB2 LYS A 120 41.809 21.603 23.058 1.00 0.00 H new ATOM 0 HB3 LYS A 120 42.622 22.815 24.027 1.00 0.00 H new ATOM 0 HG2 LYS A 120 40.422 23.562 24.275 1.00 0.00 H new ATOM 0 HG3 LYS A 120 40.863 24.473 22.844 1.00 0.00 H new ATOM 0 HD2 LYS A 120 38.854 23.469 22.133 1.00 0.00 H new ATOM 0 HD3 LYS A 120 40.031 22.321 21.527 1.00 0.00 H new ATOM 0 HE2 LYS A 120 38.537 20.879 22.688 1.00 0.00 H new ATOM 0 HE3 LYS A 120 39.742 21.169 23.927 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 37.939 21.926 25.079 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 38.222 23.361 24.216 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 37.038 22.268 23.681 1.00 0.00 H new ATOM 1943 N ASP A 121 44.751 21.663 22.030 1.00 0.00 N ATOM 1944 CA ASP A 121 46.201 21.360 22.223 1.00 0.00 C ATOM 1945 C ASP A 121 46.857 21.034 20.879 1.00 0.00 C ATOM 1946 O ASP A 121 46.269 21.360 19.861 1.00 0.00 O ATOM 1947 CB ASP A 121 46.233 20.138 23.146 1.00 0.00 C ATOM 1948 CG ASP A 121 45.703 20.521 24.530 1.00 0.00 C ATOM 1949 OD1 ASP A 121 46.057 21.588 25.006 1.00 0.00 O ATOM 1950 OD2 ASP A 121 44.953 19.741 25.092 1.00 0.00 O ATOM 1951 OXT ASP A 121 47.935 20.464 20.890 1.00 0.00 O ATOM 0 H ASP A 121 44.162 20.851 21.845 1.00 0.00 H new ATOM 0 HA ASP A 121 46.746 22.204 22.646 1.00 0.00 H new ATOM 0 HB2 ASP A 121 45.628 19.336 22.724 1.00 0.00 H new ATOM 0 HB3 ASP A 121 47.252 19.759 23.228 1.00 0.00 H new TER 1956 ASP A 121