USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=35 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 89 ASN : amide:sc= -0.788 K(o=-1.6,f=-3.9!) USER MOD Set 1.2: A 95 CYS SG : rot 140:sc= -0.78 USER MOD Set 2.1: A 33 SER OG : rot -5:sc= 0.503 USER MOD Set 2.2: A 49 THR OG1 : rot -79:sc= 0.12 USER MOD Set 3.1: A 17 ASN : amide:sc= 0.458 K(o=1.4,f=-7.5!) USER MOD Set 3.2: A 19 SER OG : rot -81:sc= 0.915 USER MOD Single : A 1 MET CE :methyl 149:sc= -0.16 (180deg=-1.01) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= -1.19 USER MOD Single : A 9 SER OG : rot -111:sc= -0.0941 USER MOD Single : A -1 MET CE :methyl -115:sc= -0.546 (180deg=-1.08) USER MOD Single : A -3 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.0744 K(o=-0.074,f=-2.6!) USER MOD Single : A 16 ASN : amide:sc= -1.3 K(o=-1.3,f=-4.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -64:sc= 0.74 USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.017) USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 36 GLN : amide:sc= -1.13 K(o=-1.1,f=-6.7!) USER MOD Single : A 41 ASN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 43 SER OG : rot 71:sc= 0.219 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 11:sc= 0.939 USER MOD Single : A 50 LYS NZ :NH3+ 175:sc= 0 (180deg=-0.0134) USER MOD Single : A 53 LYS NZ :NH3+ -179:sc= 1.23 (180deg=1.15) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.0907 K(o=-0.091,f=-0.71) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00422) USER MOD Single : A 67 ASN : amide:sc= -0.0928 X(o=-0.093,f=-0.15) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 LYS NZ :NH3+ -143:sc= 0 (180deg=-0.0832) 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 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.78) USER MOD Single : A 76 SER OG : rot 26:sc= 0.526 USER MOD Single : A 77 THR OG1 : rot 150:sc=-0.00114 USER MOD Single : A 78 LYS NZ :NH3+ -140:sc= 0 (180deg=-0.0595) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0307 USER MOD Single : A 84 THR OG1 : rot 79:sc= 0.81 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+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -123:sc= 0 (180deg=-0.168) USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 93 MET CE :methyl -149:sc= -0.374 (180deg=-1.78!) USER MOD Single : A 104 ASN : amide:sc= -0.953 K(o=-0.95,f=-2.5) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) 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= -0.106 X(o=-0.11,f=-0.12) USER MOD Single : A 120 LYS NZ :NH3+ -177:sc= 0 (180deg=-0.00771) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 123.348 14.188 -10.806 1.00 0.00 N ATOM 2 CA GLY A -3 124.043 14.439 -9.511 1.00 0.00 C ATOM 3 C GLY A -3 123.754 13.290 -8.544 1.00 0.00 C ATOM 4 O GLY A -3 124.198 12.174 -8.746 1.00 0.00 O ATOM 0 H1 GLY A -3 123.545 14.970 -11.463 1.00 0.00 H new ATOM 0 H2 GLY A -3 123.691 13.296 -11.217 1.00 0.00 H new ATOM 0 H3 GLY A -3 122.323 14.123 -10.643 1.00 0.00 H new ATOM 0 HA2 GLY A -3 125.117 14.529 -9.674 1.00 0.00 H new ATOM 0 HA3 GLY A -3 123.705 15.383 -9.082 1.00 0.00 H new ATOM 10 N ALA A -2 123.013 13.557 -7.496 1.00 0.00 N ATOM 11 CA ALA A -2 122.687 12.488 -6.504 1.00 0.00 C ATOM 12 C ALA A -2 121.263 12.675 -5.975 1.00 0.00 C ATOM 13 O ALA A -2 120.727 13.767 -5.991 1.00 0.00 O ATOM 14 CB ALA A -2 123.707 12.668 -5.378 1.00 0.00 C ATOM 0 H ALA A -2 122.619 14.474 -7.285 1.00 0.00 H new ATOM 0 HA ALA A -2 122.735 11.490 -6.940 1.00 0.00 H new ATOM 0 HB1 ALA A -2 123.534 11.917 -4.607 1.00 0.00 H new ATOM 0 HB2 ALA A -2 124.714 12.552 -5.778 1.00 0.00 H new ATOM 0 HB3 ALA A -2 123.600 13.663 -4.946 1.00 0.00 H new ATOM 20 N MET A -1 120.650 11.614 -5.507 1.00 0.00 N ATOM 21 CA MET A -1 119.254 11.714 -4.976 1.00 0.00 C ATOM 22 C MET A -1 119.198 11.192 -3.537 1.00 0.00 C ATOM 23 O MET A -1 120.051 10.436 -3.109 1.00 0.00 O ATOM 24 CB MET A -1 118.412 10.833 -5.899 1.00 0.00 C ATOM 25 CG MET A -1 118.354 11.459 -7.294 1.00 0.00 C ATOM 26 SD MET A -1 117.200 10.524 -8.328 1.00 0.00 S ATOM 27 CE MET A -1 115.676 11.080 -7.527 1.00 0.00 C ATOM 0 H MET A -1 121.058 10.680 -5.470 1.00 0.00 H new ATOM 0 HA MET A -1 118.893 12.742 -4.956 1.00 0.00 H new ATOM 0 HB2 MET A -1 118.842 9.833 -5.956 1.00 0.00 H new ATOM 0 HB3 MET A -1 117.405 10.725 -5.496 1.00 0.00 H new ATOM 0 HG2 MET A -1 118.036 12.499 -7.224 1.00 0.00 H new ATOM 0 HG3 MET A -1 119.346 11.459 -7.746 1.00 0.00 H new ATOM 0 HE1 MET A -1 115.187 10.232 -7.048 1.00 0.00 H new ATOM 0 HE2 MET A -1 115.914 11.834 -6.776 1.00 0.00 H new ATOM 0 HE3 MET A -1 115.008 11.510 -8.274 1.00 0.00 H new ATOM 37 N GLY A 0 118.194 11.592 -2.792 1.00 0.00 N ATOM 38 CA GLY A 0 118.061 11.122 -1.380 1.00 0.00 C ATOM 39 C GLY A 0 116.603 10.755 -1.099 1.00 0.00 C ATOM 40 O GLY A 0 115.862 11.528 -0.521 1.00 0.00 O ATOM 0 H GLY A 0 117.459 12.226 -3.105 1.00 0.00 H new ATOM 0 HA2 GLY A 0 118.704 10.258 -1.211 1.00 0.00 H new ATOM 0 HA3 GLY A 0 118.389 11.902 -0.693 1.00 0.00 H new ATOM 44 N MET A 1 116.189 9.579 -1.508 1.00 0.00 N ATOM 45 CA MET A 1 114.774 9.152 -1.286 1.00 0.00 C ATOM 46 C MET A 1 114.731 7.887 -0.426 1.00 0.00 C ATOM 47 O MET A 1 115.724 7.200 -0.269 1.00 0.00 O ATOM 48 CB MET A 1 114.222 8.868 -2.684 1.00 0.00 C ATOM 49 CG MET A 1 114.120 10.177 -3.471 1.00 0.00 C ATOM 50 SD MET A 1 113.287 9.869 -5.049 1.00 0.00 S ATOM 51 CE MET A 1 111.621 9.632 -4.383 1.00 0.00 C ATOM 0 H MET A 1 116.774 8.895 -1.988 1.00 0.00 H new ATOM 0 HA MET A 1 114.192 9.911 -0.763 1.00 0.00 H new ATOM 0 HB2 MET A 1 114.872 8.167 -3.207 1.00 0.00 H new ATOM 0 HB3 MET A 1 113.241 8.399 -2.610 1.00 0.00 H new ATOM 0 HG2 MET A 1 113.567 10.918 -2.894 1.00 0.00 H new ATOM 0 HG3 MET A 1 115.115 10.587 -3.646 1.00 0.00 H new ATOM 0 HE1 MET A 1 110.886 9.966 -5.115 1.00 0.00 H new ATOM 0 HE2 MET A 1 111.463 8.576 -4.166 1.00 0.00 H new ATOM 0 HE3 MET A 1 111.510 10.211 -3.466 1.00 0.00 H new ATOM 61 N SER A 2 113.584 7.577 0.131 1.00 0.00 N ATOM 62 CA SER A 2 113.457 6.355 0.984 1.00 0.00 C ATOM 63 C SER A 2 112.476 5.366 0.347 1.00 0.00 C ATOM 64 O SER A 2 111.620 5.746 -0.430 1.00 0.00 O ATOM 65 CB SER A 2 112.917 6.861 2.320 1.00 0.00 C ATOM 66 OG SER A 2 113.820 7.816 2.861 1.00 0.00 O ATOM 0 H SER A 2 112.727 8.121 0.030 1.00 0.00 H new ATOM 0 HA SER A 2 114.405 5.831 1.100 1.00 0.00 H new ATOM 0 HB2 SER A 2 111.934 7.311 2.181 1.00 0.00 H new ATOM 0 HB3 SER A 2 112.791 6.029 3.013 1.00 0.00 H new ATOM 0 HG SER A 2 113.475 8.144 3.718 1.00 0.00 H new ATOM 72 N VAL A 3 112.598 4.101 0.674 1.00 0.00 N ATOM 73 CA VAL A 3 111.686 3.067 0.077 1.00 0.00 C ATOM 74 C VAL A 3 110.236 3.326 0.514 1.00 0.00 C ATOM 75 O VAL A 3 109.303 3.053 -0.218 1.00 0.00 O ATOM 76 CB VAL A 3 112.183 1.711 0.613 1.00 0.00 C ATOM 77 CG1 VAL A 3 111.325 0.574 0.045 1.00 0.00 C ATOM 78 CG2 VAL A 3 113.640 1.492 0.190 1.00 0.00 C ATOM 0 H VAL A 3 113.290 3.737 1.329 1.00 0.00 H new ATOM 0 HA VAL A 3 111.701 3.092 -1.013 1.00 0.00 H new ATOM 0 HB VAL A 3 112.108 1.715 1.700 1.00 0.00 H new ATOM 0 HG11 VAL A 3 111.684 -0.380 0.430 1.00 0.00 H new ATOM 0 HG12 VAL A 3 110.287 0.718 0.344 1.00 0.00 H new ATOM 0 HG13 VAL A 3 111.393 0.575 -1.043 1.00 0.00 H new ATOM 0 HG21 VAL A 3 113.989 0.532 0.571 1.00 0.00 H new ATOM 0 HG22 VAL A 3 113.708 1.497 -0.898 1.00 0.00 H new ATOM 0 HG23 VAL A 3 114.261 2.291 0.596 1.00 0.00 H new ATOM 88 N ALA A 4 110.046 3.851 1.704 1.00 0.00 N ATOM 89 CA ALA A 4 108.656 4.124 2.203 1.00 0.00 C ATOM 90 C ALA A 4 107.942 5.129 1.289 1.00 0.00 C ATOM 91 O ALA A 4 106.733 5.096 1.147 1.00 0.00 O ATOM 92 CB ALA A 4 108.835 4.713 3.604 1.00 0.00 C ATOM 0 H ALA A 4 110.793 4.102 2.351 1.00 0.00 H new ATOM 0 HA ALA A 4 108.048 3.220 2.216 1.00 0.00 H new ATOM 0 HB1 ALA A 4 107.858 4.938 4.032 1.00 0.00 H new ATOM 0 HB2 ALA A 4 109.352 3.993 4.238 1.00 0.00 H new ATOM 0 HB3 ALA A 4 109.423 5.629 3.541 1.00 0.00 H new ATOM 98 N ASP A 5 108.684 6.019 0.671 1.00 0.00 N ATOM 99 CA ASP A 5 108.060 7.009 -0.267 1.00 0.00 C ATOM 100 C ASP A 5 107.459 6.290 -1.479 1.00 0.00 C ATOM 101 O ASP A 5 106.397 6.646 -1.955 1.00 0.00 O ATOM 102 CB ASP A 5 109.202 7.933 -0.706 1.00 0.00 C ATOM 103 CG ASP A 5 109.711 8.733 0.496 1.00 0.00 C ATOM 104 OD1 ASP A 5 108.887 9.199 1.267 1.00 0.00 O ATOM 105 OD2 ASP A 5 110.917 8.866 0.625 1.00 0.00 O ATOM 0 H ASP A 5 109.695 6.103 0.776 1.00 0.00 H new ATOM 0 HA ASP A 5 107.251 7.563 0.209 1.00 0.00 H new ATOM 0 HB2 ASP A 5 110.014 7.345 -1.134 1.00 0.00 H new ATOM 0 HB3 ASP A 5 108.855 8.611 -1.485 1.00 0.00 H new ATOM 110 N PHE A 6 108.135 5.282 -1.978 1.00 0.00 N ATOM 111 CA PHE A 6 107.599 4.517 -3.150 1.00 0.00 C ATOM 112 C PHE A 6 106.370 3.703 -2.732 1.00 0.00 C ATOM 113 O PHE A 6 105.461 3.497 -3.514 1.00 0.00 O ATOM 114 CB PHE A 6 108.733 3.590 -3.592 1.00 0.00 C ATOM 115 CG PHE A 6 109.929 4.327 -4.149 1.00 0.00 C ATOM 116 CD1 PHE A 6 110.976 4.731 -3.286 1.00 0.00 C ATOM 117 CD2 PHE A 6 110.002 4.615 -5.534 1.00 0.00 C ATOM 118 CE1 PHE A 6 112.097 5.422 -3.807 1.00 0.00 C ATOM 119 CE2 PHE A 6 111.123 5.307 -6.055 1.00 0.00 C ATOM 120 CZ PHE A 6 112.170 5.710 -5.191 1.00 0.00 C ATOM 0 H PHE A 6 109.035 4.956 -1.625 1.00 0.00 H new ATOM 0 HA PHE A 6 107.286 5.178 -3.958 1.00 0.00 H new ATOM 0 HB2 PHE A 6 109.051 2.987 -2.742 1.00 0.00 H new ATOM 0 HB3 PHE A 6 108.356 2.901 -4.348 1.00 0.00 H new ATOM 0 HD1 PHE A 6 110.920 4.512 -2.230 1.00 0.00 H new ATOM 0 HD2 PHE A 6 109.203 4.307 -6.193 1.00 0.00 H new ATOM 0 HE1 PHE A 6 112.896 5.729 -3.149 1.00 0.00 H new ATOM 0 HE2 PHE A 6 111.179 5.527 -7.111 1.00 0.00 H new ATOM 0 HZ PHE A 6 113.025 6.237 -5.588 1.00 0.00 H new ATOM 130 N TYR A 7 106.340 3.240 -1.504 1.00 0.00 N ATOM 131 CA TYR A 7 105.142 2.484 -1.008 1.00 0.00 C ATOM 132 C TYR A 7 103.923 3.411 -0.947 1.00 0.00 C ATOM 133 O TYR A 7 103.977 4.482 -0.371 1.00 0.00 O ATOM 134 CB TYR A 7 105.517 1.994 0.399 1.00 0.00 C ATOM 135 CG TYR A 7 106.073 0.586 0.438 1.00 0.00 C ATOM 136 CD1 TYR A 7 106.946 0.126 -0.583 1.00 0.00 C ATOM 137 CD2 TYR A 7 105.725 -0.274 1.509 1.00 0.00 C ATOM 138 CE1 TYR A 7 107.469 -1.190 -0.527 1.00 0.00 C ATOM 139 CE2 TYR A 7 106.247 -1.589 1.560 1.00 0.00 C ATOM 140 CZ TYR A 7 107.118 -2.046 0.544 1.00 0.00 C ATOM 141 OH TYR A 7 107.631 -3.325 0.602 1.00 0.00 O ATOM 0 H TYR A 7 107.092 3.352 -0.824 1.00 0.00 H new ATOM 0 HA TYR A 7 104.882 1.654 -1.665 1.00 0.00 H new ATOM 0 HB2 TYR A 7 106.254 2.675 0.825 1.00 0.00 H new ATOM 0 HB3 TYR A 7 104.634 2.042 1.036 1.00 0.00 H new ATOM 0 HD1 TYR A 7 107.211 0.779 -1.402 1.00 0.00 H new ATOM 0 HD2 TYR A 7 105.061 0.074 2.287 1.00 0.00 H new ATOM 0 HE1 TYR A 7 108.135 -1.540 -1.302 1.00 0.00 H new ATOM 0 HE2 TYR A 7 105.980 -2.244 2.376 1.00 0.00 H new ATOM 0 HH TYR A 7 107.290 -3.778 1.401 1.00 0.00 H new ATOM 151 N GLY A 8 102.829 3.002 -1.538 1.00 0.00 N ATOM 152 CA GLY A 8 101.605 3.861 -1.547 1.00 0.00 C ATOM 153 C GLY A 8 101.608 4.798 -2.766 1.00 0.00 C ATOM 154 O GLY A 8 100.700 5.590 -2.936 1.00 0.00 O ATOM 0 H GLY A 8 102.730 2.107 -2.017 1.00 0.00 H new ATOM 0 HA2 GLY A 8 100.714 3.233 -1.567 1.00 0.00 H new ATOM 0 HA3 GLY A 8 101.560 4.449 -0.630 1.00 0.00 H new ATOM 158 N SER A 9 102.614 4.723 -3.614 1.00 0.00 N ATOM 159 CA SER A 9 102.643 5.600 -4.826 1.00 0.00 C ATOM 160 C SER A 9 101.889 4.932 -5.978 1.00 0.00 C ATOM 161 O SER A 9 101.848 3.720 -6.079 1.00 0.00 O ATOM 162 CB SER A 9 104.126 5.765 -5.173 1.00 0.00 C ATOM 163 OG SER A 9 104.632 4.537 -5.681 1.00 0.00 O ATOM 0 H SER A 9 103.411 4.094 -3.516 1.00 0.00 H new ATOM 0 HA SER A 9 102.163 6.562 -4.648 1.00 0.00 H new ATOM 0 HB2 SER A 9 104.252 6.556 -5.912 1.00 0.00 H new ATOM 0 HB3 SER A 9 104.687 6.064 -4.287 1.00 0.00 H new ATOM 0 HG SER A 9 105.267 4.155 -5.040 1.00 0.00 H new ATOM 169 N ASN A 10 101.293 5.713 -6.845 1.00 0.00 N ATOM 170 CA ASN A 10 100.574 5.130 -8.020 1.00 0.00 C ATOM 171 C ASN A 10 101.493 5.124 -9.242 1.00 0.00 C ATOM 172 O ASN A 10 101.881 6.162 -9.746 1.00 0.00 O ATOM 173 CB ASN A 10 99.378 6.054 -8.256 1.00 0.00 C ATOM 174 CG ASN A 10 98.325 5.327 -9.098 1.00 0.00 C ATOM 175 OD1 ASN A 10 98.656 4.538 -9.961 1.00 0.00 O ATOM 176 ND2 ASN A 10 97.060 5.563 -8.881 1.00 0.00 N ATOM 0 H ASN A 10 101.273 6.731 -6.789 1.00 0.00 H new ATOM 0 HA ASN A 10 100.262 4.100 -7.845 1.00 0.00 H new ATOM 0 HB2 ASN A 10 98.948 6.360 -7.302 1.00 0.00 H new ATOM 0 HB3 ASN A 10 99.702 6.962 -8.765 1.00 0.00 H new ATOM 0 HD21 ASN A 10 96.350 5.085 -9.436 1.00 0.00 H new ATOM 0 HD22 ASN A 10 96.782 6.225 -8.157 1.00 0.00 H new ATOM 183 N VAL A 11 101.839 3.956 -9.719 1.00 0.00 N ATOM 184 CA VAL A 11 102.714 3.854 -10.927 1.00 0.00 C ATOM 185 C VAL A 11 102.086 2.889 -11.937 1.00 0.00 C ATOM 186 O VAL A 11 101.215 2.111 -11.594 1.00 0.00 O ATOM 187 CB VAL A 11 104.065 3.316 -10.420 1.00 0.00 C ATOM 188 CG1 VAL A 11 104.688 4.326 -9.454 1.00 0.00 C ATOM 189 CG2 VAL A 11 103.872 1.977 -9.693 1.00 0.00 C ATOM 0 H VAL A 11 101.551 3.062 -9.321 1.00 0.00 H new ATOM 0 HA VAL A 11 102.838 4.813 -11.430 1.00 0.00 H new ATOM 0 HB VAL A 11 104.723 3.164 -11.276 1.00 0.00 H new ATOM 0 HG11 VAL A 11 105.644 3.945 -9.096 1.00 0.00 H new ATOM 0 HG12 VAL A 11 104.846 5.273 -9.970 1.00 0.00 H new ATOM 0 HG13 VAL A 11 104.019 4.481 -8.608 1.00 0.00 H new ATOM 0 HG21 VAL A 11 104.837 1.611 -9.341 1.00 0.00 H new ATOM 0 HG22 VAL A 11 103.205 2.118 -8.842 1.00 0.00 H new ATOM 0 HG23 VAL A 11 103.437 1.250 -10.379 1.00 0.00 H new ATOM 199 N GLU A 12 102.520 2.933 -13.173 1.00 0.00 N ATOM 200 CA GLU A 12 102.049 1.926 -14.167 1.00 0.00 C ATOM 201 C GLU A 12 103.247 1.125 -14.680 1.00 0.00 C ATOM 202 O GLU A 12 104.339 1.642 -14.803 1.00 0.00 O ATOM 203 CB GLU A 12 101.411 2.746 -15.294 1.00 0.00 C ATOM 204 CG GLU A 12 100.844 1.808 -16.368 1.00 0.00 C ATOM 205 CD GLU A 12 100.032 2.617 -17.384 1.00 0.00 C ATOM 206 OE1 GLU A 12 100.485 3.686 -17.760 1.00 0.00 O ATOM 207 OE2 GLU A 12 98.972 2.153 -17.768 1.00 0.00 O ATOM 0 H GLU A 12 103.179 3.623 -13.534 1.00 0.00 H new ATOM 0 HA GLU A 12 101.340 1.213 -13.747 1.00 0.00 H new ATOM 0 HB2 GLU A 12 100.617 3.375 -14.893 1.00 0.00 H new ATOM 0 HB3 GLU A 12 102.153 3.412 -15.735 1.00 0.00 H new ATOM 0 HG2 GLU A 12 101.656 1.284 -16.872 1.00 0.00 H new ATOM 0 HG3 GLU A 12 100.213 1.049 -15.905 1.00 0.00 H new ATOM 214 N VAL A 13 103.049 -0.134 -14.973 1.00 0.00 N ATOM 215 CA VAL A 13 104.163 -0.962 -15.522 1.00 0.00 C ATOM 216 C VAL A 13 103.659 -1.787 -16.708 1.00 0.00 C ATOM 217 O VAL A 13 102.547 -2.284 -16.690 1.00 0.00 O ATOM 218 CB VAL A 13 104.603 -1.869 -14.359 1.00 0.00 C ATOM 219 CG1 VAL A 13 103.497 -2.873 -14.004 1.00 0.00 C ATOM 220 CG2 VAL A 13 105.861 -2.636 -14.763 1.00 0.00 C ATOM 0 H VAL A 13 102.163 -0.625 -14.855 1.00 0.00 H new ATOM 0 HA VAL A 13 104.994 -0.359 -15.888 1.00 0.00 H new ATOM 0 HB VAL A 13 104.805 -1.244 -13.489 1.00 0.00 H new ATOM 0 HG11 VAL A 13 103.829 -3.504 -13.180 1.00 0.00 H new ATOM 0 HG12 VAL A 13 102.597 -2.334 -13.708 1.00 0.00 H new ATOM 0 HG13 VAL A 13 103.278 -3.495 -14.872 1.00 0.00 H new ATOM 0 HG21 VAL A 13 106.175 -3.279 -13.941 1.00 0.00 H new ATOM 0 HG22 VAL A 13 105.649 -3.246 -15.641 1.00 0.00 H new ATOM 0 HG23 VAL A 13 106.658 -1.930 -14.996 1.00 0.00 H new ATOM 230 N LEU A 14 104.459 -1.936 -17.732 1.00 0.00 N ATOM 231 CA LEU A 14 104.085 -2.898 -18.813 1.00 0.00 C ATOM 232 C LEU A 14 104.756 -4.239 -18.557 1.00 0.00 C ATOM 233 O LEU A 14 105.924 -4.302 -18.216 1.00 0.00 O ATOM 234 CB LEU A 14 104.580 -2.331 -20.152 1.00 0.00 C ATOM 235 CG LEU A 14 104.176 -0.856 -20.380 1.00 0.00 C ATOM 236 CD1 LEU A 14 104.011 -0.633 -21.887 1.00 0.00 C ATOM 237 CD2 LEU A 14 102.860 -0.502 -19.671 1.00 0.00 C ATOM 0 H LEU A 14 105.341 -1.442 -17.867 1.00 0.00 H new ATOM 0 HA LEU A 14 103.004 -3.038 -18.834 1.00 0.00 H new ATOM 0 HB2 LEU A 14 105.666 -2.413 -20.194 1.00 0.00 H new ATOM 0 HB3 LEU A 14 104.183 -2.939 -20.965 1.00 0.00 H new ATOM 0 HG LEU A 14 104.955 -0.216 -19.965 1.00 0.00 H new ATOM 0 HD11 LEU A 14 103.726 0.402 -22.072 1.00 0.00 H new ATOM 0 HD12 LEU A 14 104.953 -0.846 -22.392 1.00 0.00 H new ATOM 0 HD13 LEU A 14 103.236 -1.297 -22.270 1.00 0.00 H new ATOM 0 HD21 LEU A 14 102.615 0.543 -19.859 1.00 0.00 H new ATOM 0 HD22 LEU A 14 102.059 -1.136 -20.052 1.00 0.00 H new ATOM 0 HD23 LEU A 14 102.970 -0.662 -18.598 1.00 0.00 H new ATOM 249 N LEU A 15 104.028 -5.310 -18.716 1.00 0.00 N ATOM 250 CA LEU A 15 104.644 -6.659 -18.554 1.00 0.00 C ATOM 251 C LEU A 15 105.334 -7.081 -19.854 1.00 0.00 C ATOM 252 O LEU A 15 105.279 -6.384 -20.850 1.00 0.00 O ATOM 253 CB LEU A 15 103.486 -7.606 -18.221 1.00 0.00 C ATOM 254 CG LEU A 15 102.855 -7.209 -16.883 1.00 0.00 C ATOM 255 CD1 LEU A 15 101.553 -7.987 -16.682 1.00 0.00 C ATOM 256 CD2 LEU A 15 103.822 -7.538 -15.743 1.00 0.00 C ATOM 0 H LEU A 15 103.035 -5.310 -18.951 1.00 0.00 H new ATOM 0 HA LEU A 15 105.403 -6.670 -17.771 1.00 0.00 H new ATOM 0 HB2 LEU A 15 102.736 -7.569 -19.011 1.00 0.00 H new ATOM 0 HB3 LEU A 15 103.848 -8.633 -18.172 1.00 0.00 H new ATOM 0 HG LEU A 15 102.645 -6.139 -16.886 1.00 0.00 H new ATOM 0 HD11 LEU A 15 101.104 -7.705 -15.730 1.00 0.00 H new ATOM 0 HD12 LEU A 15 100.862 -7.755 -17.492 1.00 0.00 H new ATOM 0 HD13 LEU A 15 101.765 -9.056 -16.680 1.00 0.00 H new ATOM 0 HD21 LEU A 15 103.372 -7.255 -14.791 1.00 0.00 H new ATOM 0 HD22 LEU A 15 104.032 -8.608 -15.741 1.00 0.00 H new ATOM 0 HD23 LEU A 15 104.751 -6.986 -15.883 1.00 0.00 H new ATOM 268 N ASN A 16 105.982 -8.221 -19.846 1.00 0.00 N ATOM 269 CA ASN A 16 106.755 -8.684 -21.054 1.00 0.00 C ATOM 270 C ASN A 16 105.854 -8.785 -22.296 1.00 0.00 C ATOM 271 O ASN A 16 106.331 -8.748 -23.415 1.00 0.00 O ATOM 272 CB ASN A 16 107.317 -10.067 -20.678 1.00 0.00 C ATOM 273 CG ASN A 16 106.178 -11.031 -20.322 1.00 0.00 C ATOM 274 OD1 ASN A 16 105.310 -11.289 -21.131 1.00 0.00 O ATOM 275 ND2 ASN A 16 106.146 -11.573 -19.135 1.00 0.00 N ATOM 0 H ASN A 16 106.012 -8.859 -19.051 1.00 0.00 H new ATOM 0 HA ASN A 16 107.544 -7.977 -21.310 1.00 0.00 H new ATOM 0 HB2 ASN A 16 107.895 -10.469 -21.510 1.00 0.00 H new ATOM 0 HB3 ASN A 16 107.998 -9.972 -19.833 1.00 0.00 H new ATOM 0 HD21 ASN A 16 105.392 -12.213 -18.887 1.00 0.00 H new ATOM 0 HD22 ASN A 16 106.875 -11.356 -18.456 1.00 0.00 H new ATOM 282 N ASN A 17 104.564 -8.912 -22.105 1.00 0.00 N ATOM 283 CA ASN A 17 103.641 -9.093 -23.269 1.00 0.00 C ATOM 284 C ASN A 17 102.975 -7.761 -23.661 1.00 0.00 C ATOM 285 O ASN A 17 101.909 -7.753 -24.244 1.00 0.00 O ATOM 286 CB ASN A 17 102.594 -10.118 -22.798 1.00 0.00 C ATOM 287 CG ASN A 17 101.792 -9.579 -21.601 1.00 0.00 C ATOM 288 OD1 ASN A 17 102.198 -8.636 -20.951 1.00 0.00 O ATOM 289 ND2 ASN A 17 100.661 -10.149 -21.284 1.00 0.00 N ATOM 0 H ASN A 17 104.109 -8.898 -21.192 1.00 0.00 H new ATOM 0 HA ASN A 17 104.172 -9.436 -24.157 1.00 0.00 H new ATOM 0 HB2 ASN A 17 101.916 -10.353 -23.618 1.00 0.00 H new ATOM 0 HB3 ASN A 17 103.090 -11.047 -22.519 1.00 0.00 H new ATOM 0 HD21 ASN A 17 100.120 -9.803 -20.492 1.00 0.00 H new ATOM 0 HD22 ASN A 17 100.319 -10.941 -21.829 1.00 0.00 H new ATOM 296 N ASP A 18 103.594 -6.634 -23.342 1.00 0.00 N ATOM 297 CA ASP A 18 103.048 -5.298 -23.769 1.00 0.00 C ATOM 298 C ASP A 18 101.619 -5.103 -23.244 1.00 0.00 C ATOM 299 O ASP A 18 100.838 -4.366 -23.818 1.00 0.00 O ATOM 300 CB ASP A 18 103.065 -5.298 -25.306 1.00 0.00 C ATOM 301 CG ASP A 18 104.509 -5.405 -25.807 1.00 0.00 C ATOM 302 OD1 ASP A 18 105.366 -4.751 -25.235 1.00 0.00 O ATOM 303 OD2 ASP A 18 104.733 -6.140 -26.755 1.00 0.00 O ATOM 0 H ASP A 18 104.458 -6.587 -22.801 1.00 0.00 H new ATOM 0 HA ASP A 18 103.647 -4.481 -23.367 1.00 0.00 H new ATOM 0 HB2 ASP A 18 102.475 -6.133 -25.686 1.00 0.00 H new ATOM 0 HB3 ASP A 18 102.605 -4.385 -25.684 1.00 0.00 H new ATOM 308 N SER A 19 101.275 -5.758 -22.157 1.00 0.00 N ATOM 309 CA SER A 19 99.984 -5.457 -21.473 1.00 0.00 C ATOM 310 C SER A 19 100.246 -4.476 -20.333 1.00 0.00 C ATOM 311 O SER A 19 101.163 -4.657 -19.552 1.00 0.00 O ATOM 312 CB SER A 19 99.489 -6.800 -20.933 1.00 0.00 C ATOM 313 OG SER A 19 100.350 -7.236 -19.890 1.00 0.00 O ATOM 0 H SER A 19 101.836 -6.488 -21.718 1.00 0.00 H new ATOM 0 HA SER A 19 99.246 -5.005 -22.136 1.00 0.00 H new ATOM 0 HB2 SER A 19 98.469 -6.701 -20.560 1.00 0.00 H new ATOM 0 HB3 SER A 19 99.465 -7.540 -21.733 1.00 0.00 H new ATOM 0 HG SER A 19 101.147 -7.655 -20.277 1.00 0.00 H new ATOM 319 N LYS A 20 99.452 -3.442 -20.228 1.00 0.00 N ATOM 320 CA LYS A 20 99.784 -2.338 -19.273 1.00 0.00 C ATOM 321 C LYS A 20 98.805 -2.340 -18.094 1.00 0.00 C ATOM 322 O LYS A 20 97.612 -2.503 -18.266 1.00 0.00 O ATOM 323 CB LYS A 20 99.632 -1.030 -20.073 1.00 0.00 C ATOM 324 CG LYS A 20 100.276 -1.155 -21.464 1.00 0.00 C ATOM 325 CD LYS A 20 100.329 0.223 -22.128 1.00 0.00 C ATOM 326 CE LYS A 20 100.863 0.083 -23.555 1.00 0.00 C ATOM 327 NZ LYS A 20 100.272 1.229 -24.301 1.00 0.00 N ATOM 0 H LYS A 20 98.591 -3.313 -20.759 1.00 0.00 H new ATOM 0 HA LYS A 20 100.789 -2.453 -18.867 1.00 0.00 H new ATOM 0 HB2 LYS A 20 98.575 -0.785 -20.179 1.00 0.00 H new ATOM 0 HB3 LYS A 20 100.096 -0.209 -19.526 1.00 0.00 H new ATOM 0 HG2 LYS A 20 101.281 -1.567 -21.375 1.00 0.00 H new ATOM 0 HG3 LYS A 20 99.702 -1.846 -22.081 1.00 0.00 H new ATOM 0 HD2 LYS A 20 99.335 0.670 -22.143 1.00 0.00 H new ATOM 0 HD3 LYS A 20 100.970 0.891 -21.553 1.00 0.00 H new ATOM 0 HE2 LYS A 20 101.952 0.119 -23.574 1.00 0.00 H new ATOM 0 HE3 LYS A 20 100.568 -0.869 -23.995 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 100.592 1.202 -25.290 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 99.234 1.165 -24.271 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 100.576 2.122 -23.863 1.00 0.00 H new ATOM 341 N ALA A 21 99.313 -2.159 -16.899 1.00 0.00 N ATOM 342 CA ALA A 21 98.424 -2.052 -15.701 1.00 0.00 C ATOM 343 C ALA A 21 98.978 -1.004 -14.729 1.00 0.00 C ATOM 344 O ALA A 21 100.177 -0.824 -14.623 1.00 0.00 O ATOM 345 CB ALA A 21 98.450 -3.442 -15.062 1.00 0.00 C ATOM 0 H ALA A 21 100.311 -2.080 -16.702 1.00 0.00 H new ATOM 0 HA ALA A 21 97.412 -1.744 -15.962 1.00 0.00 H new ATOM 0 HB1 ALA A 21 97.819 -3.446 -14.173 1.00 0.00 H new ATOM 0 HB2 ALA A 21 98.077 -4.177 -15.775 1.00 0.00 H new ATOM 0 HB3 ALA A 21 99.473 -3.695 -14.782 1.00 0.00 H new ATOM 351 N ARG A 22 98.113 -0.314 -14.022 1.00 0.00 N ATOM 352 CA ARG A 22 98.584 0.749 -13.079 1.00 0.00 C ATOM 353 C ARG A 22 97.792 0.698 -11.769 1.00 0.00 C ATOM 354 O ARG A 22 96.644 0.296 -11.746 1.00 0.00 O ATOM 355 CB ARG A 22 98.350 2.081 -13.811 1.00 0.00 C ATOM 356 CG ARG A 22 96.859 2.265 -14.130 1.00 0.00 C ATOM 357 CD ARG A 22 96.679 3.482 -15.042 1.00 0.00 C ATOM 358 NE ARG A 22 95.199 3.682 -15.136 1.00 0.00 N ATOM 359 CZ ARG A 22 94.508 4.219 -14.146 1.00 0.00 C ATOM 360 NH1 ARG A 22 95.085 4.591 -13.026 1.00 0.00 N ATOM 361 NH2 ARG A 22 93.221 4.383 -14.283 1.00 0.00 N ATOM 0 H ARG A 22 97.102 -0.442 -14.058 1.00 0.00 H new ATOM 0 HA ARG A 22 99.633 0.618 -12.812 1.00 0.00 H new ATOM 0 HB2 ARG A 22 98.701 2.908 -13.194 1.00 0.00 H new ATOM 0 HB3 ARG A 22 98.931 2.103 -14.733 1.00 0.00 H new ATOM 0 HG2 ARG A 22 96.467 1.372 -14.616 1.00 0.00 H new ATOM 0 HG3 ARG A 22 96.293 2.401 -13.208 1.00 0.00 H new ATOM 0 HD2 ARG A 22 97.170 4.362 -14.627 1.00 0.00 H new ATOM 0 HD3 ARG A 22 97.116 3.307 -16.025 1.00 0.00 H new ATOM 0 HE ARG A 22 94.712 3.397 -15.985 1.00 0.00 H new ATOM 0 HH11 ARG A 22 96.090 4.468 -12.905 1.00 0.00 H new ATOM 0 HH12 ARG A 22 94.528 5.003 -12.278 1.00 0.00 H new ATOM 0 HH21 ARG A 22 92.760 4.098 -15.147 1.00 0.00 H new ATOM 0 HH22 ARG A 22 92.676 4.796 -13.526 1.00 0.00 H new ATOM 375 N GLY A 23 98.404 1.105 -10.683 1.00 0.00 N ATOM 376 CA GLY A 23 97.695 1.102 -9.368 1.00 0.00 C ATOM 377 C GLY A 23 98.650 1.595 -8.279 1.00 0.00 C ATOM 378 O GLY A 23 99.748 2.035 -8.566 1.00 0.00 O ATOM 0 H GLY A 23 99.367 1.440 -10.652 1.00 0.00 H new ATOM 0 HA2 GLY A 23 96.815 1.744 -9.414 1.00 0.00 H new ATOM 0 HA3 GLY A 23 97.344 0.097 -9.133 1.00 0.00 H new ATOM 382 N VAL A 24 98.242 1.522 -7.035 1.00 0.00 N ATOM 383 CA VAL A 24 99.109 2.030 -5.924 1.00 0.00 C ATOM 384 C VAL A 24 99.958 0.881 -5.367 1.00 0.00 C ATOM 385 O VAL A 24 99.472 -0.211 -5.153 1.00 0.00 O ATOM 386 CB VAL A 24 98.141 2.563 -4.855 1.00 0.00 C ATOM 387 CG1 VAL A 24 98.936 3.173 -3.696 1.00 0.00 C ATOM 388 CG2 VAL A 24 97.240 3.646 -5.460 1.00 0.00 C ATOM 0 H VAL A 24 97.346 1.133 -6.740 1.00 0.00 H new ATOM 0 HA VAL A 24 99.796 2.808 -6.256 1.00 0.00 H new ATOM 0 HB VAL A 24 97.530 1.737 -4.492 1.00 0.00 H new ATOM 0 HG11 VAL A 24 98.247 3.550 -2.940 1.00 0.00 H new ATOM 0 HG12 VAL A 24 99.578 2.411 -3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 24 99.550 3.993 -4.068 1.00 0.00 H new ATOM 0 HG21 VAL A 24 96.557 4.019 -4.697 1.00 0.00 H new ATOM 0 HG22 VAL A 24 97.855 4.467 -5.829 1.00 0.00 H new ATOM 0 HG23 VAL A 24 96.667 3.223 -6.285 1.00 0.00 H new ATOM 398 N ILE A 25 101.222 1.128 -5.130 1.00 0.00 N ATOM 399 CA ILE A 25 102.123 0.043 -4.619 1.00 0.00 C ATOM 400 C ILE A 25 101.875 -0.185 -3.122 1.00 0.00 C ATOM 401 O ILE A 25 101.707 0.752 -2.364 1.00 0.00 O ATOM 402 CB ILE A 25 103.553 0.560 -4.878 1.00 0.00 C ATOM 403 CG1 ILE A 25 103.792 0.634 -6.391 1.00 0.00 C ATOM 404 CG2 ILE A 25 104.597 -0.371 -4.238 1.00 0.00 C ATOM 405 CD1 ILE A 25 105.052 1.456 -6.675 1.00 0.00 C ATOM 0 H ILE A 25 101.671 2.033 -5.267 1.00 0.00 H new ATOM 0 HA ILE A 25 101.950 -0.914 -5.110 1.00 0.00 H new ATOM 0 HB ILE A 25 103.656 1.549 -4.432 1.00 0.00 H new ATOM 0 HG12 ILE A 25 103.901 -0.370 -6.801 1.00 0.00 H new ATOM 0 HG13 ILE A 25 102.932 1.088 -6.883 1.00 0.00 H new ATOM 0 HG21 ILE A 25 105.597 0.015 -4.434 1.00 0.00 H new ATOM 0 HG22 ILE A 25 104.431 -0.418 -3.162 1.00 0.00 H new ATOM 0 HG23 ILE A 25 104.503 -1.370 -4.664 1.00 0.00 H new ATOM 0 HD11 ILE A 25 105.219 1.506 -7.751 1.00 0.00 H new ATOM 0 HD12 ILE A 25 104.926 2.464 -6.280 1.00 0.00 H new ATOM 0 HD13 ILE A 25 105.910 0.984 -6.197 1.00 0.00 H new ATOM 417 N THR A 26 101.851 -1.429 -2.698 1.00 0.00 N ATOM 418 CA THR A 26 101.596 -1.731 -1.256 1.00 0.00 C ATOM 419 C THR A 26 102.712 -2.598 -0.655 1.00 0.00 C ATOM 420 O THR A 26 103.069 -2.427 0.497 1.00 0.00 O ATOM 421 CB THR A 26 100.265 -2.485 -1.235 1.00 0.00 C ATOM 422 OG1 THR A 26 100.328 -3.578 -2.139 1.00 0.00 O ATOM 423 CG2 THR A 26 99.132 -1.542 -1.646 1.00 0.00 C ATOM 0 H THR A 26 101.997 -2.246 -3.291 1.00 0.00 H new ATOM 0 HA THR A 26 101.567 -0.819 -0.660 1.00 0.00 H new ATOM 0 HB THR A 26 100.074 -2.857 -0.228 1.00 0.00 H new ATOM 0 HG1 THR A 26 100.440 -3.241 -3.052 1.00 0.00 H new ATOM 0 HG21 THR A 26 98.185 -2.082 -1.630 1.00 0.00 H new ATOM 0 HG22 THR A 26 99.084 -0.705 -0.949 1.00 0.00 H new ATOM 0 HG23 THR A 26 99.318 -1.166 -2.652 1.00 0.00 H new ATOM 431 N ASN A 27 103.269 -3.523 -1.410 1.00 0.00 N ATOM 432 CA ASN A 27 104.239 -4.489 -0.803 1.00 0.00 C ATOM 433 C ASN A 27 105.442 -4.714 -1.722 1.00 0.00 C ATOM 434 O ASN A 27 105.333 -4.645 -2.930 1.00 0.00 O ATOM 435 CB ASN A 27 103.446 -5.786 -0.633 1.00 0.00 C ATOM 436 CG ASN A 27 104.195 -6.722 0.317 1.00 0.00 C ATOM 437 OD1 ASN A 27 104.430 -6.384 1.461 1.00 0.00 O ATOM 438 ND2 ASN A 27 104.582 -7.892 -0.110 1.00 0.00 N ATOM 0 H ASN A 27 103.095 -3.647 -2.407 1.00 0.00 H new ATOM 0 HA ASN A 27 104.640 -4.120 0.141 1.00 0.00 H new ATOM 0 HB2 ASN A 27 102.453 -5.569 -0.239 1.00 0.00 H new ATOM 0 HB3 ASN A 27 103.306 -6.268 -1.600 1.00 0.00 H new ATOM 0 HD21 ASN A 27 105.082 -8.524 0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 27 104.385 -8.175 -1.070 1.00 0.00 H new ATOM 445 N PHE A 28 106.587 -4.981 -1.143 1.00 0.00 N ATOM 446 CA PHE A 28 107.792 -5.338 -1.951 1.00 0.00 C ATOM 447 C PHE A 28 108.683 -6.292 -1.151 1.00 0.00 C ATOM 448 O PHE A 28 108.973 -6.057 0.007 1.00 0.00 O ATOM 449 CB PHE A 28 108.509 -4.013 -2.204 1.00 0.00 C ATOM 450 CG PHE A 28 109.627 -4.117 -3.214 1.00 0.00 C ATOM 451 CD1 PHE A 28 109.327 -4.339 -4.580 1.00 0.00 C ATOM 452 CD2 PHE A 28 110.974 -3.991 -2.795 1.00 0.00 C ATOM 453 CE1 PHE A 28 110.375 -4.435 -5.527 1.00 0.00 C ATOM 454 CE2 PHE A 28 112.023 -4.087 -3.743 1.00 0.00 C ATOM 455 CZ PHE A 28 111.723 -4.309 -5.109 1.00 0.00 C ATOM 0 H PHE A 28 106.738 -4.966 -0.134 1.00 0.00 H new ATOM 0 HA PHE A 28 107.537 -5.840 -2.884 1.00 0.00 H new ATOM 0 HB2 PHE A 28 107.784 -3.277 -2.551 1.00 0.00 H new ATOM 0 HB3 PHE A 28 108.914 -3.642 -1.262 1.00 0.00 H new ATOM 0 HD1 PHE A 28 108.300 -4.435 -4.899 1.00 0.00 H new ATOM 0 HD2 PHE A 28 111.202 -3.822 -1.753 1.00 0.00 H new ATOM 0 HE1 PHE A 28 110.147 -4.604 -6.569 1.00 0.00 H new ATOM 0 HE2 PHE A 28 113.050 -3.991 -3.424 1.00 0.00 H new ATOM 0 HZ PHE A 28 112.522 -4.382 -5.832 1.00 0.00 H new ATOM 465 N ASP A 29 109.116 -7.365 -1.765 1.00 0.00 N ATOM 466 CA ASP A 29 109.939 -8.377 -1.036 1.00 0.00 C ATOM 467 C ASP A 29 111.287 -8.559 -1.736 1.00 0.00 C ATOM 468 O ASP A 29 111.345 -8.946 -2.888 1.00 0.00 O ATOM 469 CB ASP A 29 109.123 -9.670 -1.098 1.00 0.00 C ATOM 470 CG ASP A 29 109.760 -10.726 -0.193 1.00 0.00 C ATOM 471 OD1 ASP A 29 110.136 -10.381 0.916 1.00 0.00 O ATOM 472 OD2 ASP A 29 109.865 -11.862 -0.625 1.00 0.00 O ATOM 0 H ASP A 29 108.934 -7.584 -2.744 1.00 0.00 H new ATOM 0 HA ASP A 29 110.150 -8.078 -0.009 1.00 0.00 H new ATOM 0 HB2 ASP A 29 108.097 -9.479 -0.784 1.00 0.00 H new ATOM 0 HB3 ASP A 29 109.080 -10.035 -2.124 1.00 0.00 H new ATOM 477 N SER A 30 112.366 -8.281 -1.047 1.00 0.00 N ATOM 478 CA SER A 30 113.723 -8.425 -1.668 1.00 0.00 C ATOM 479 C SER A 30 114.054 -9.903 -1.915 1.00 0.00 C ATOM 480 O SER A 30 114.827 -10.229 -2.797 1.00 0.00 O ATOM 481 CB SER A 30 114.700 -7.823 -0.657 1.00 0.00 C ATOM 482 OG SER A 30 114.738 -8.642 0.504 1.00 0.00 O ATOM 0 H SER A 30 112.367 -7.960 -0.079 1.00 0.00 H new ATOM 0 HA SER A 30 113.777 -7.924 -2.635 1.00 0.00 H new ATOM 0 HB2 SER A 30 115.695 -7.748 -1.096 1.00 0.00 H new ATOM 0 HB3 SER A 30 114.391 -6.812 -0.393 1.00 0.00 H new ATOM 0 HG SER A 30 115.365 -8.260 1.153 1.00 0.00 H new ATOM 488 N SER A 31 113.476 -10.798 -1.145 1.00 0.00 N ATOM 489 CA SER A 31 113.807 -12.257 -1.291 1.00 0.00 C ATOM 490 C SER A 31 113.443 -12.760 -2.693 1.00 0.00 C ATOM 491 O SER A 31 114.255 -13.360 -3.372 1.00 0.00 O ATOM 492 CB SER A 31 112.962 -12.973 -0.234 1.00 0.00 C ATOM 493 OG SER A 31 113.367 -14.333 -0.153 1.00 0.00 O ATOM 0 H SER A 31 112.790 -10.582 -0.422 1.00 0.00 H new ATOM 0 HA SER A 31 114.873 -12.442 -1.157 1.00 0.00 H new ATOM 0 HB2 SER A 31 113.082 -12.487 0.734 1.00 0.00 H new ATOM 0 HB3 SER A 31 111.905 -12.911 -0.493 1.00 0.00 H new ATOM 0 HG SER A 31 112.829 -14.795 0.524 1.00 0.00 H new ATOM 499 N ASN A 32 112.228 -12.520 -3.127 1.00 0.00 N ATOM 500 CA ASN A 32 111.804 -12.980 -4.488 1.00 0.00 C ATOM 501 C ASN A 32 111.288 -11.805 -5.336 1.00 0.00 C ATOM 502 O ASN A 32 110.633 -12.011 -6.339 1.00 0.00 O ATOM 503 CB ASN A 32 110.677 -13.983 -4.232 1.00 0.00 C ATOM 504 CG ASN A 32 111.239 -15.223 -3.531 1.00 0.00 C ATOM 505 OD1 ASN A 32 112.355 -15.630 -3.789 1.00 0.00 O ATOM 506 ND2 ASN A 32 110.506 -15.846 -2.649 1.00 0.00 N ATOM 0 H ASN A 32 111.511 -12.025 -2.597 1.00 0.00 H new ATOM 0 HA ASN A 32 112.635 -13.418 -5.041 1.00 0.00 H new ATOM 0 HB2 ASN A 32 109.903 -13.525 -3.617 1.00 0.00 H new ATOM 0 HB3 ASN A 32 110.209 -14.267 -5.174 1.00 0.00 H new ATOM 0 HD21 ASN A 32 110.870 -16.674 -2.177 1.00 0.00 H new ATOM 0 HD22 ASN A 32 109.569 -15.505 -2.432 1.00 0.00 H new ATOM 513 N SER A 33 111.581 -10.579 -4.939 1.00 0.00 N ATOM 514 CA SER A 33 111.121 -9.367 -5.708 1.00 0.00 C ATOM 515 C SER A 33 109.628 -9.467 -6.083 1.00 0.00 C ATOM 516 O SER A 33 109.271 -9.575 -7.243 1.00 0.00 O ATOM 517 CB SER A 33 112.013 -9.318 -6.955 1.00 0.00 C ATOM 518 OG SER A 33 111.588 -10.297 -7.895 1.00 0.00 O ATOM 0 H SER A 33 112.126 -10.366 -4.104 1.00 0.00 H new ATOM 0 HA SER A 33 111.209 -8.457 -5.115 1.00 0.00 H new ATOM 0 HB2 SER A 33 111.969 -8.326 -7.405 1.00 0.00 H new ATOM 0 HB3 SER A 33 113.052 -9.496 -6.677 1.00 0.00 H new ATOM 0 HG SER A 33 110.873 -10.840 -7.502 1.00 0.00 H new ATOM 524 N ILE A 34 108.760 -9.427 -5.100 1.00 0.00 N ATOM 525 CA ILE A 34 107.292 -9.543 -5.378 1.00 0.00 C ATOM 526 C ILE A 34 106.594 -8.225 -5.025 1.00 0.00 C ATOM 527 O ILE A 34 106.805 -7.669 -3.963 1.00 0.00 O ATOM 528 CB ILE A 34 106.788 -10.686 -4.477 1.00 0.00 C ATOM 529 CG1 ILE A 34 107.605 -11.976 -4.723 1.00 0.00 C ATOM 530 CG2 ILE A 34 105.305 -10.956 -4.761 1.00 0.00 C ATOM 531 CD1 ILE A 34 107.459 -12.466 -6.176 1.00 0.00 C ATOM 0 H ILE A 34 109.005 -9.319 -4.116 1.00 0.00 H new ATOM 0 HA ILE A 34 107.085 -9.748 -6.428 1.00 0.00 H new ATOM 0 HB ILE A 34 106.913 -10.386 -3.437 1.00 0.00 H new ATOM 0 HG12 ILE A 34 108.656 -11.790 -4.504 1.00 0.00 H new ATOM 0 HG13 ILE A 34 107.271 -12.756 -4.039 1.00 0.00 H new ATOM 0 HG21 ILE A 34 104.953 -11.765 -4.121 1.00 0.00 H new ATOM 0 HG22 ILE A 34 104.726 -10.055 -4.558 1.00 0.00 H new ATOM 0 HG23 ILE A 34 105.180 -11.240 -5.806 1.00 0.00 H new ATOM 0 HD11 ILE A 34 108.046 -13.374 -6.314 1.00 0.00 H new ATOM 0 HD12 ILE A 34 106.410 -12.676 -6.385 1.00 0.00 H new ATOM 0 HD13 ILE A 34 107.818 -11.695 -6.858 1.00 0.00 H new ATOM 543 N LEU A 35 105.765 -7.726 -5.910 1.00 0.00 N ATOM 544 CA LEU A 35 105.134 -6.387 -5.696 1.00 0.00 C ATOM 545 C LEU A 35 103.610 -6.510 -5.727 1.00 0.00 C ATOM 546 O LEU A 35 103.039 -7.016 -6.676 1.00 0.00 O ATOM 547 CB LEU A 35 105.630 -5.539 -6.869 1.00 0.00 C ATOM 548 CG LEU A 35 105.171 -4.088 -6.695 1.00 0.00 C ATOM 549 CD1 LEU A 35 106.151 -3.345 -5.785 1.00 0.00 C ATOM 550 CD2 LEU A 35 105.127 -3.405 -8.064 1.00 0.00 C ATOM 0 H LEU A 35 105.497 -8.192 -6.777 1.00 0.00 H new ATOM 0 HA LEU A 35 105.394 -5.950 -4.732 1.00 0.00 H new ATOM 0 HB2 LEU A 35 106.718 -5.581 -6.925 1.00 0.00 H new ATOM 0 HB3 LEU A 35 105.247 -5.941 -7.807 1.00 0.00 H new ATOM 0 HG LEU A 35 104.178 -4.071 -6.245 1.00 0.00 H new ATOM 0 HD11 LEU A 35 105.823 -2.313 -5.662 1.00 0.00 H new ATOM 0 HD12 LEU A 35 106.185 -3.833 -4.811 1.00 0.00 H new ATOM 0 HD13 LEU A 35 107.145 -3.359 -6.232 1.00 0.00 H new ATOM 0 HD21 LEU A 35 104.801 -2.372 -7.945 1.00 0.00 H new ATOM 0 HD22 LEU A 35 106.121 -3.422 -8.511 1.00 0.00 H new ATOM 0 HD23 LEU A 35 104.428 -3.934 -8.712 1.00 0.00 H new ATOM 562 N GLN A 36 102.952 -6.049 -4.693 1.00 0.00 N ATOM 563 CA GLN A 36 101.460 -6.019 -4.699 1.00 0.00 C ATOM 564 C GLN A 36 100.972 -4.610 -5.035 1.00 0.00 C ATOM 565 O GLN A 36 101.400 -3.639 -4.435 1.00 0.00 O ATOM 566 CB GLN A 36 101.046 -6.408 -3.279 1.00 0.00 C ATOM 567 CG GLN A 36 101.354 -7.889 -3.045 1.00 0.00 C ATOM 568 CD GLN A 36 101.008 -8.264 -1.602 1.00 0.00 C ATOM 569 OE1 GLN A 36 101.183 -7.473 -0.696 1.00 0.00 O ATOM 570 NE2 GLN A 36 100.520 -9.448 -1.348 1.00 0.00 N ATOM 0 H GLN A 36 103.387 -5.691 -3.843 1.00 0.00 H new ATOM 0 HA GLN A 36 101.033 -6.693 -5.441 1.00 0.00 H new ATOM 0 HB2 GLN A 36 101.580 -5.795 -2.552 1.00 0.00 H new ATOM 0 HB3 GLN A 36 99.982 -6.220 -3.134 1.00 0.00 H new ATOM 0 HG2 GLN A 36 100.781 -8.504 -3.739 1.00 0.00 H new ATOM 0 HG3 GLN A 36 102.408 -8.087 -3.240 1.00 0.00 H new ATOM 0 HE21 GLN A 36 100.373 -10.113 -2.108 1.00 0.00 H new ATOM 0 HE22 GLN A 36 100.286 -9.708 -0.390 1.00 0.00 H new ATOM 579 N LEU A 37 100.083 -4.494 -5.991 1.00 0.00 N ATOM 580 CA LEU A 37 99.531 -3.155 -6.354 1.00 0.00 C ATOM 581 C LEU A 37 98.059 -3.069 -5.945 1.00 0.00 C ATOM 582 O LEU A 37 97.235 -3.839 -6.401 1.00 0.00 O ATOM 583 CB LEU A 37 99.665 -3.062 -7.876 1.00 0.00 C ATOM 584 CG LEU A 37 101.144 -2.991 -8.263 1.00 0.00 C ATOM 585 CD1 LEU A 37 101.293 -3.300 -9.754 1.00 0.00 C ATOM 586 CD2 LEU A 37 101.678 -1.583 -7.984 1.00 0.00 C ATOM 0 H LEU A 37 99.716 -5.273 -6.537 1.00 0.00 H new ATOM 0 HA LEU A 37 100.056 -2.343 -5.850 1.00 0.00 H new ATOM 0 HB2 LEU A 37 99.198 -3.928 -8.345 1.00 0.00 H new ATOM 0 HB3 LEU A 37 99.141 -2.180 -8.243 1.00 0.00 H new ATOM 0 HG LEU A 37 101.708 -3.718 -7.678 1.00 0.00 H new ATOM 0 HD11 LEU A 37 102.346 -3.250 -10.032 1.00 0.00 H new ATOM 0 HD12 LEU A 37 100.911 -4.300 -9.958 1.00 0.00 H new ATOM 0 HD13 LEU A 37 100.729 -2.570 -10.335 1.00 0.00 H new ATOM 0 HD21 LEU A 37 102.731 -1.532 -8.260 1.00 0.00 H new ATOM 0 HD22 LEU A 37 101.114 -0.857 -8.570 1.00 0.00 H new ATOM 0 HD23 LEU A 37 101.569 -1.356 -6.923 1.00 0.00 H new ATOM 598 N ARG A 38 97.732 -2.134 -5.089 1.00 0.00 N ATOM 599 CA ARG A 38 96.302 -1.940 -4.695 1.00 0.00 C ATOM 600 C ARG A 38 95.679 -0.825 -5.540 1.00 0.00 C ATOM 601 O ARG A 38 96.175 0.286 -5.576 1.00 0.00 O ATOM 602 CB ARG A 38 96.345 -1.544 -3.218 1.00 0.00 C ATOM 603 CG ARG A 38 94.921 -1.486 -2.658 1.00 0.00 C ATOM 604 CD ARG A 38 94.965 -1.046 -1.193 1.00 0.00 C ATOM 605 NE ARG A 38 93.549 -1.137 -0.716 1.00 0.00 N ATOM 606 CZ ARG A 38 92.988 -2.298 -0.434 1.00 0.00 C ATOM 607 NH1 ARG A 38 93.639 -3.430 -0.572 1.00 0.00 N ATOM 608 NH2 ARG A 38 91.753 -2.322 -0.011 1.00 0.00 N ATOM 0 H ARG A 38 98.393 -1.496 -4.646 1.00 0.00 H new ATOM 0 HA ARG A 38 95.700 -2.835 -4.852 1.00 0.00 H new ATOM 0 HB2 ARG A 38 96.938 -2.265 -2.655 1.00 0.00 H new ATOM 0 HB3 ARG A 38 96.830 -0.574 -3.105 1.00 0.00 H new ATOM 0 HG2 ARG A 38 94.318 -0.789 -3.240 1.00 0.00 H new ATOM 0 HG3 ARG A 38 94.446 -2.464 -2.741 1.00 0.00 H new ATOM 0 HD2 ARG A 38 95.621 -1.690 -0.607 1.00 0.00 H new ATOM 0 HD3 ARG A 38 95.349 -0.030 -1.098 1.00 0.00 H new ATOM 0 HE ARG A 38 93.005 -0.281 -0.606 1.00 0.00 H new ATOM 0 HH11 ARG A 38 94.603 -3.427 -0.905 1.00 0.00 H new ATOM 0 HH12 ARG A 38 93.180 -4.313 -0.347 1.00 0.00 H new ATOM 0 HH21 ARG A 38 91.234 -1.451 0.098 1.00 0.00 H new ATOM 0 HH22 ARG A 38 91.307 -3.212 0.211 1.00 0.00 H new ATOM 622 N LEU A 39 94.598 -1.118 -6.219 1.00 0.00 N ATOM 623 CA LEU A 39 94.012 -0.129 -7.173 1.00 0.00 C ATOM 624 C LEU A 39 92.789 0.563 -6.557 1.00 0.00 C ATOM 625 O LEU A 39 92.074 -0.013 -5.755 1.00 0.00 O ATOM 626 CB LEU A 39 93.619 -0.959 -8.400 1.00 0.00 C ATOM 627 CG LEU A 39 93.273 -0.045 -9.586 1.00 0.00 C ATOM 628 CD1 LEU A 39 94.476 0.828 -9.954 1.00 0.00 C ATOM 629 CD2 LEU A 39 92.916 -0.913 -10.790 1.00 0.00 C ATOM 0 H LEU A 39 94.095 -2.003 -6.153 1.00 0.00 H new ATOM 0 HA LEU A 39 94.712 0.667 -7.426 1.00 0.00 H new ATOM 0 HB2 LEU A 39 94.439 -1.623 -8.674 1.00 0.00 H new ATOM 0 HB3 LEU A 39 92.764 -1.590 -8.159 1.00 0.00 H new ATOM 0 HG LEU A 39 92.435 0.595 -9.309 1.00 0.00 H new ATOM 0 HD11 LEU A 39 94.216 1.470 -10.796 1.00 0.00 H new ATOM 0 HD12 LEU A 39 94.753 1.445 -9.099 1.00 0.00 H new ATOM 0 HD13 LEU A 39 95.317 0.191 -10.230 1.00 0.00 H new ATOM 0 HD21 LEU A 39 92.668 -0.275 -11.638 1.00 0.00 H new ATOM 0 HD22 LEU A 39 93.766 -1.545 -11.047 1.00 0.00 H new ATOM 0 HD23 LEU A 39 92.058 -1.540 -10.545 1.00 0.00 H new ATOM 641 N ALA A 40 92.550 1.797 -6.941 1.00 0.00 N ATOM 642 CA ALA A 40 91.461 2.609 -6.298 1.00 0.00 C ATOM 643 C ALA A 40 90.071 1.999 -6.543 1.00 0.00 C ATOM 644 O ALA A 40 89.097 2.427 -5.950 1.00 0.00 O ATOM 645 CB ALA A 40 91.551 3.991 -6.952 1.00 0.00 C ATOM 0 H ALA A 40 93.065 2.280 -7.677 1.00 0.00 H new ATOM 0 HA ALA A 40 91.590 2.646 -5.216 1.00 0.00 H new ATOM 0 HB1 ALA A 40 90.784 4.643 -6.533 1.00 0.00 H new ATOM 0 HB2 ALA A 40 92.535 4.420 -6.763 1.00 0.00 H new ATOM 0 HB3 ALA A 40 91.398 3.896 -8.027 1.00 0.00 H new ATOM 651 N ASN A 41 89.962 1.010 -7.401 1.00 0.00 N ATOM 652 CA ASN A 41 88.646 0.319 -7.605 1.00 0.00 C ATOM 653 C ASN A 41 88.448 -0.807 -6.572 1.00 0.00 C ATOM 654 O ASN A 41 87.808 -1.801 -6.860 1.00 0.00 O ATOM 655 CB ASN A 41 88.719 -0.267 -9.019 1.00 0.00 C ATOM 656 CG ASN A 41 88.768 0.867 -10.046 1.00 0.00 C ATOM 657 OD1 ASN A 41 88.144 1.895 -9.868 1.00 0.00 O ATOM 658 ND2 ASN A 41 89.491 0.724 -11.124 1.00 0.00 N ATOM 0 H ASN A 41 90.729 0.651 -7.970 1.00 0.00 H new ATOM 0 HA ASN A 41 87.808 1.006 -7.483 1.00 0.00 H new ATOM 0 HB2 ASN A 41 89.603 -0.897 -9.117 1.00 0.00 H new ATOM 0 HB3 ASN A 41 87.853 -0.902 -9.205 1.00 0.00 H new ATOM 0 HD21 ASN A 41 89.531 1.474 -11.814 1.00 0.00 H new ATOM 0 HD22 ASN A 41 90.016 -0.138 -11.276 1.00 0.00 H new ATOM 665 N ASP A 42 88.995 -0.669 -5.369 1.00 0.00 N ATOM 666 CA ASP A 42 88.794 -1.704 -4.295 1.00 0.00 C ATOM 667 C ASP A 42 89.288 -3.075 -4.774 1.00 0.00 C ATOM 668 O ASP A 42 88.783 -4.102 -4.357 1.00 0.00 O ATOM 669 CB ASP A 42 87.284 -1.743 -4.009 1.00 0.00 C ATOM 670 CG ASP A 42 86.825 -0.387 -3.464 1.00 0.00 C ATOM 671 OD1 ASP A 42 87.539 0.177 -2.650 1.00 0.00 O ATOM 672 OD2 ASP A 42 85.767 0.064 -3.870 1.00 0.00 O ATOM 0 H ASP A 42 89.574 0.123 -5.091 1.00 0.00 H new ATOM 0 HA ASP A 42 89.358 -1.456 -3.396 1.00 0.00 H new ATOM 0 HB2 ASP A 42 86.738 -1.983 -4.921 1.00 0.00 H new ATOM 0 HB3 ASP A 42 87.061 -2.530 -3.288 1.00 0.00 H new ATOM 677 N SER A 43 90.273 -3.099 -5.650 1.00 0.00 N ATOM 678 CA SER A 43 90.835 -4.404 -6.117 1.00 0.00 C ATOM 679 C SER A 43 92.331 -4.475 -5.803 1.00 0.00 C ATOM 680 O SER A 43 93.042 -3.494 -5.920 1.00 0.00 O ATOM 681 CB SER A 43 90.600 -4.419 -7.627 1.00 0.00 C ATOM 682 OG SER A 43 89.205 -4.338 -7.886 1.00 0.00 O ATOM 0 H SER A 43 90.707 -2.271 -6.057 1.00 0.00 H new ATOM 0 HA SER A 43 90.367 -5.257 -5.625 1.00 0.00 H new ATOM 0 HB2 SER A 43 91.118 -3.582 -8.096 1.00 0.00 H new ATOM 0 HB3 SER A 43 91.010 -5.331 -8.061 1.00 0.00 H new ATOM 0 HG SER A 43 88.883 -3.439 -7.667 1.00 0.00 H new ATOM 688 N THR A 44 92.809 -5.629 -5.405 1.00 0.00 N ATOM 689 CA THR A 44 94.263 -5.779 -5.083 1.00 0.00 C ATOM 690 C THR A 44 94.855 -6.967 -5.849 1.00 0.00 C ATOM 691 O THR A 44 94.198 -7.973 -6.051 1.00 0.00 O ATOM 692 CB THR A 44 94.322 -6.015 -3.564 1.00 0.00 C ATOM 693 OG1 THR A 44 95.677 -6.170 -3.167 1.00 0.00 O ATOM 694 CG2 THR A 44 93.532 -7.274 -3.182 1.00 0.00 C ATOM 0 H THR A 44 92.253 -6.476 -5.289 1.00 0.00 H new ATOM 0 HA THR A 44 94.842 -4.902 -5.372 1.00 0.00 H new ATOM 0 HB THR A 44 93.879 -5.158 -3.057 1.00 0.00 H new ATOM 0 HG1 THR A 44 95.719 -6.319 -2.199 1.00 0.00 H new ATOM 0 HG21 THR A 44 93.586 -7.424 -2.104 1.00 0.00 H new ATOM 0 HG22 THR A 44 92.490 -7.154 -3.480 1.00 0.00 H new ATOM 0 HG23 THR A 44 93.958 -8.139 -3.690 1.00 0.00 H new ATOM 702 N LYS A 45 96.090 -6.855 -6.275 1.00 0.00 N ATOM 703 CA LYS A 45 96.722 -7.960 -7.058 1.00 0.00 C ATOM 704 C LYS A 45 98.205 -8.089 -6.705 1.00 0.00 C ATOM 705 O LYS A 45 98.890 -7.105 -6.495 1.00 0.00 O ATOM 706 CB LYS A 45 96.552 -7.558 -8.522 1.00 0.00 C ATOM 707 CG LYS A 45 95.101 -7.785 -8.944 1.00 0.00 C ATOM 708 CD LYS A 45 94.952 -7.497 -10.439 1.00 0.00 C ATOM 709 CE LYS A 45 93.481 -7.626 -10.841 1.00 0.00 C ATOM 710 NZ LYS A 45 93.348 -6.806 -12.077 1.00 0.00 N ATOM 0 H LYS A 45 96.687 -6.044 -6.113 1.00 0.00 H new ATOM 0 HA LYS A 45 96.264 -8.926 -6.844 1.00 0.00 H new ATOM 0 HB2 LYS A 45 96.822 -6.511 -8.657 1.00 0.00 H new ATOM 0 HB3 LYS A 45 97.222 -8.144 -9.152 1.00 0.00 H new ATOM 0 HG2 LYS A 45 94.805 -8.812 -8.730 1.00 0.00 H new ATOM 0 HG3 LYS A 45 94.439 -7.136 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 45 95.315 -6.494 -10.665 1.00 0.00 H new ATOM 0 HD3 LYS A 45 95.560 -8.193 -11.016 1.00 0.00 H new ATOM 0 HE2 LYS A 45 93.212 -8.666 -11.026 1.00 0.00 H new ATOM 0 HE3 LYS A 45 92.823 -7.262 -10.052 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 92.365 -6.844 -12.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 93.604 -5.820 -11.869 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 93.981 -7.181 -12.812 1.00 0.00 H new ATOM 724 N SER A 46 98.699 -9.301 -6.640 1.00 0.00 N ATOM 725 CA SER A 46 100.151 -9.514 -6.358 1.00 0.00 C ATOM 726 C SER A 46 100.870 -9.964 -7.632 1.00 0.00 C ATOM 727 O SER A 46 100.532 -10.976 -8.218 1.00 0.00 O ATOM 728 CB SER A 46 100.191 -10.618 -5.302 1.00 0.00 C ATOM 729 OG SER A 46 99.724 -11.833 -5.874 1.00 0.00 O ATOM 0 H SER A 46 98.156 -10.155 -6.771 1.00 0.00 H new ATOM 0 HA SER A 46 100.646 -8.605 -6.015 1.00 0.00 H new ATOM 0 HB2 SER A 46 101.208 -10.745 -4.930 1.00 0.00 H new ATOM 0 HB3 SER A 46 99.572 -10.343 -4.448 1.00 0.00 H new ATOM 0 HG SER A 46 99.654 -11.731 -6.846 1.00 0.00 H new ATOM 735 N ILE A 47 101.857 -9.216 -8.064 1.00 0.00 N ATOM 736 CA ILE A 47 102.587 -9.575 -9.320 1.00 0.00 C ATOM 737 C ILE A 47 104.094 -9.578 -9.050 1.00 0.00 C ATOM 738 O ILE A 47 104.632 -8.639 -8.494 1.00 0.00 O ATOM 739 CB ILE A 47 102.212 -8.483 -10.338 1.00 0.00 C ATOM 740 CG1 ILE A 47 100.692 -8.471 -10.556 1.00 0.00 C ATOM 741 CG2 ILE A 47 102.905 -8.761 -11.677 1.00 0.00 C ATOM 742 CD1 ILE A 47 100.295 -7.214 -11.333 1.00 0.00 C ATOM 0 H ILE A 47 102.189 -8.371 -7.600 1.00 0.00 H new ATOM 0 HA ILE A 47 102.323 -10.565 -9.690 1.00 0.00 H new ATOM 0 HB ILE A 47 102.534 -7.516 -9.950 1.00 0.00 H new ATOM 0 HG12 ILE A 47 100.386 -9.362 -11.105 1.00 0.00 H new ATOM 0 HG13 ILE A 47 100.177 -8.495 -9.596 1.00 0.00 H new ATOM 0 HG21 ILE A 47 102.636 -7.985 -12.394 1.00 0.00 H new ATOM 0 HG22 ILE A 47 103.986 -8.764 -11.534 1.00 0.00 H new ATOM 0 HG23 ILE A 47 102.587 -9.732 -12.057 1.00 0.00 H new ATOM 0 HD11 ILE A 47 99.216 -7.207 -11.487 1.00 0.00 H new ATOM 0 HD12 ILE A 47 100.587 -6.329 -10.767 1.00 0.00 H new ATOM 0 HD13 ILE A 47 100.799 -7.209 -12.299 1.00 0.00 H new ATOM 754 N VAL A 48 104.775 -10.627 -9.444 1.00 0.00 N ATOM 755 CA VAL A 48 106.255 -10.685 -9.224 1.00 0.00 C ATOM 756 C VAL A 48 106.948 -9.722 -10.193 1.00 0.00 C ATOM 757 O VAL A 48 106.613 -9.657 -11.359 1.00 0.00 O ATOM 758 CB VAL A 48 106.677 -12.139 -9.497 1.00 0.00 C ATOM 759 CG1 VAL A 48 108.163 -12.318 -9.153 1.00 0.00 C ATOM 760 CG2 VAL A 48 105.828 -13.110 -8.656 1.00 0.00 C ATOM 0 H VAL A 48 104.373 -11.442 -9.906 1.00 0.00 H new ATOM 0 HA VAL A 48 106.532 -10.391 -8.212 1.00 0.00 H new ATOM 0 HB VAL A 48 106.519 -12.360 -10.553 1.00 0.00 H new ATOM 0 HG11 VAL A 48 108.460 -13.349 -9.347 1.00 0.00 H new ATOM 0 HG12 VAL A 48 108.762 -11.646 -9.767 1.00 0.00 H new ATOM 0 HG13 VAL A 48 108.323 -12.087 -8.100 1.00 0.00 H new ATOM 0 HG21 VAL A 48 106.138 -14.135 -8.860 1.00 0.00 H new ATOM 0 HG22 VAL A 48 105.968 -12.892 -7.597 1.00 0.00 H new ATOM 0 HG23 VAL A 48 104.776 -12.991 -8.915 1.00 0.00 H new ATOM 770 N THR A 49 107.913 -8.980 -9.715 1.00 0.00 N ATOM 771 CA THR A 49 108.527 -7.895 -10.550 1.00 0.00 C ATOM 772 C THR A 49 109.248 -8.469 -11.775 1.00 0.00 C ATOM 773 O THR A 49 109.417 -7.790 -12.769 1.00 0.00 O ATOM 774 CB THR A 49 109.519 -7.173 -9.632 1.00 0.00 C ATOM 775 OG1 THR A 49 110.467 -8.106 -9.136 1.00 0.00 O ATOM 776 CG2 THR A 49 108.771 -6.529 -8.462 1.00 0.00 C ATOM 0 H THR A 49 108.306 -9.076 -8.779 1.00 0.00 H new ATOM 0 HA THR A 49 107.763 -7.219 -10.934 1.00 0.00 H new ATOM 0 HB THR A 49 110.033 -6.396 -10.197 1.00 0.00 H new ATOM 0 HG1 THR A 49 110.071 -8.612 -8.396 1.00 0.00 H new ATOM 0 HG21 THR A 49 109.482 -6.017 -7.813 1.00 0.00 H new ATOM 0 HG22 THR A 49 108.047 -5.810 -8.845 1.00 0.00 H new ATOM 0 HG23 THR A 49 108.251 -7.300 -7.894 1.00 0.00 H new ATOM 784 N LYS A 50 109.677 -9.708 -11.715 1.00 0.00 N ATOM 785 CA LYS A 50 110.476 -10.288 -12.848 1.00 0.00 C ATOM 786 C LYS A 50 109.692 -10.216 -14.166 1.00 0.00 C ATOM 787 O LYS A 50 110.274 -10.195 -15.234 1.00 0.00 O ATOM 788 CB LYS A 50 110.742 -11.746 -12.459 1.00 0.00 C ATOM 789 CG LYS A 50 111.752 -12.359 -13.432 1.00 0.00 C ATOM 790 CD LYS A 50 113.155 -11.844 -13.104 1.00 0.00 C ATOM 791 CE LYS A 50 114.164 -12.458 -14.075 1.00 0.00 C ATOM 792 NZ LYS A 50 114.120 -11.584 -15.281 1.00 0.00 N ATOM 0 H LYS A 50 109.510 -10.343 -10.934 1.00 0.00 H new ATOM 0 HA LYS A 50 111.402 -9.735 -13.007 1.00 0.00 H new ATOM 0 HB2 LYS A 50 111.126 -11.797 -11.440 1.00 0.00 H new ATOM 0 HB3 LYS A 50 109.812 -12.314 -12.478 1.00 0.00 H new ATOM 0 HG2 LYS A 50 111.727 -13.446 -13.362 1.00 0.00 H new ATOM 0 HG3 LYS A 50 111.489 -12.100 -14.457 1.00 0.00 H new ATOM 0 HD2 LYS A 50 113.181 -10.757 -13.176 1.00 0.00 H new ATOM 0 HD3 LYS A 50 113.418 -12.102 -12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 50 115.164 -12.483 -13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 50 113.898 -13.486 -14.323 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 114.846 -11.891 -15.959 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 113.182 -11.651 -15.725 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 114.301 -10.599 -15.002 1.00 0.00 H new ATOM 806 N ASP A 51 108.383 -10.177 -14.096 1.00 0.00 N ATOM 807 CA ASP A 51 107.574 -10.015 -15.347 1.00 0.00 C ATOM 808 C ASP A 51 107.377 -8.528 -15.698 1.00 0.00 C ATOM 809 O ASP A 51 106.603 -8.200 -16.580 1.00 0.00 O ATOM 810 CB ASP A 51 106.226 -10.708 -15.077 1.00 0.00 C ATOM 811 CG ASP A 51 105.509 -10.080 -13.873 1.00 0.00 C ATOM 812 OD1 ASP A 51 105.394 -8.867 -13.833 1.00 0.00 O ATOM 813 OD2 ASP A 51 105.083 -10.831 -13.010 1.00 0.00 O ATOM 0 H ASP A 51 107.842 -10.250 -13.234 1.00 0.00 H new ATOM 0 HA ASP A 51 108.081 -10.460 -16.203 1.00 0.00 H new ATOM 0 HB2 ASP A 51 105.592 -10.633 -15.961 1.00 0.00 H new ATOM 0 HB3 ASP A 51 106.391 -11.770 -14.892 1.00 0.00 H new ATOM 818 N ILE A 52 108.064 -7.627 -15.024 1.00 0.00 N ATOM 819 CA ILE A 52 107.997 -6.181 -15.419 1.00 0.00 C ATOM 820 C ILE A 52 108.864 -5.940 -16.659 1.00 0.00 C ATOM 821 O ILE A 52 110.076 -6.046 -16.609 1.00 0.00 O ATOM 822 CB ILE A 52 108.538 -5.390 -14.212 1.00 0.00 C ATOM 823 CG1 ILE A 52 107.593 -5.578 -13.014 1.00 0.00 C ATOM 824 CG2 ILE A 52 108.646 -3.894 -14.566 1.00 0.00 C ATOM 825 CD1 ILE A 52 108.189 -4.912 -11.766 1.00 0.00 C ATOM 0 H ILE A 52 108.663 -7.831 -14.224 1.00 0.00 H new ATOM 0 HA ILE A 52 106.982 -5.872 -15.669 1.00 0.00 H new ATOM 0 HB ILE A 52 109.530 -5.761 -13.953 1.00 0.00 H new ATOM 0 HG12 ILE A 52 106.618 -5.144 -13.237 1.00 0.00 H new ATOM 0 HG13 ILE A 52 107.434 -6.640 -12.829 1.00 0.00 H new ATOM 0 HG21 ILE A 52 109.029 -3.344 -13.707 1.00 0.00 H new ATOM 0 HG22 ILE A 52 109.324 -3.768 -15.410 1.00 0.00 H new ATOM 0 HG23 ILE A 52 107.661 -3.511 -14.832 1.00 0.00 H new ATOM 0 HD11 ILE A 52 107.513 -5.050 -10.922 1.00 0.00 H new ATOM 0 HD12 ILE A 52 109.153 -5.366 -11.537 1.00 0.00 H new ATOM 0 HD13 ILE A 52 108.325 -3.847 -11.952 1.00 0.00 H new ATOM 837 N LYS A 53 108.245 -5.618 -17.768 1.00 0.00 N ATOM 838 CA LYS A 53 109.029 -5.186 -18.967 1.00 0.00 C ATOM 839 C LYS A 53 109.413 -3.711 -18.840 1.00 0.00 C ATOM 840 O LYS A 53 110.516 -3.319 -19.178 1.00 0.00 O ATOM 841 CB LYS A 53 108.100 -5.391 -20.163 1.00 0.00 C ATOM 842 CG LYS A 53 108.867 -5.145 -21.465 1.00 0.00 C ATOM 843 CD LYS A 53 107.915 -5.279 -22.655 1.00 0.00 C ATOM 844 CE LYS A 53 108.704 -5.143 -23.958 1.00 0.00 C ATOM 845 NZ LYS A 53 107.912 -5.898 -24.969 1.00 0.00 N ATOM 0 H LYS A 53 107.233 -5.635 -17.895 1.00 0.00 H new ATOM 0 HA LYS A 53 109.953 -5.754 -19.074 1.00 0.00 H new ATOM 0 HB2 LYS A 53 107.698 -6.404 -20.153 1.00 0.00 H new ATOM 0 HB3 LYS A 53 107.251 -4.711 -20.096 1.00 0.00 H new ATOM 0 HG2 LYS A 53 109.313 -4.151 -21.454 1.00 0.00 H new ATOM 0 HG3 LYS A 53 109.684 -5.860 -21.558 1.00 0.00 H new ATOM 0 HD2 LYS A 53 107.409 -6.244 -22.623 1.00 0.00 H new ATOM 0 HD3 LYS A 53 107.142 -4.512 -22.604 1.00 0.00 H new ATOM 0 HE2 LYS A 53 108.815 -4.097 -24.245 1.00 0.00 H new ATOM 0 HE3 LYS A 53 109.708 -5.554 -23.856 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 108.399 -5.865 -25.887 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 107.814 -6.888 -24.665 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 106.969 -5.469 -25.062 1.00 0.00 H new ATOM 859 N ASP A 54 108.511 -2.893 -18.352 1.00 0.00 N ATOM 860 CA ASP A 54 108.768 -1.413 -18.338 1.00 0.00 C ATOM 861 C ASP A 54 108.010 -0.739 -17.192 1.00 0.00 C ATOM 862 O ASP A 54 106.903 -1.120 -16.866 1.00 0.00 O ATOM 863 CB ASP A 54 108.252 -0.900 -19.686 1.00 0.00 C ATOM 864 CG ASP A 54 109.164 -1.392 -20.811 1.00 0.00 C ATOM 865 OD1 ASP A 54 110.369 -1.261 -20.671 1.00 0.00 O ATOM 866 OD2 ASP A 54 108.641 -1.891 -21.794 1.00 0.00 O ATOM 0 H ASP A 54 107.613 -3.181 -17.965 1.00 0.00 H new ATOM 0 HA ASP A 54 109.825 -1.192 -18.190 1.00 0.00 H new ATOM 0 HB2 ASP A 54 107.233 -1.249 -19.852 1.00 0.00 H new ATOM 0 HB3 ASP A 54 108.219 0.189 -19.682 1.00 0.00 H new ATOM 871 N LEU A 55 108.601 0.264 -16.586 1.00 0.00 N ATOM 872 CA LEU A 55 107.955 0.934 -15.412 1.00 0.00 C ATOM 873 C LEU A 55 107.799 2.439 -15.661 1.00 0.00 C ATOM 874 O LEU A 55 108.642 3.064 -16.278 1.00 0.00 O ATOM 875 CB LEU A 55 108.914 0.701 -14.242 1.00 0.00 C ATOM 876 CG LEU A 55 108.827 -0.754 -13.776 1.00 0.00 C ATOM 877 CD1 LEU A 55 110.155 -1.169 -13.138 1.00 0.00 C ATOM 878 CD2 LEU A 55 107.706 -0.892 -12.741 1.00 0.00 C ATOM 0 H LEU A 55 109.506 0.649 -16.855 1.00 0.00 H new ATOM 0 HA LEU A 55 106.958 0.536 -15.223 1.00 0.00 H new ATOM 0 HB2 LEU A 55 109.935 0.934 -14.546 1.00 0.00 H new ATOM 0 HB3 LEU A 55 108.666 1.371 -13.419 1.00 0.00 H new ATOM 0 HG LEU A 55 108.618 -1.395 -14.632 1.00 0.00 H new ATOM 0 HD11 LEU A 55 110.091 -2.205 -12.807 1.00 0.00 H new ATOM 0 HD12 LEU A 55 110.957 -1.071 -13.870 1.00 0.00 H new ATOM 0 HD13 LEU A 55 110.364 -0.527 -12.282 1.00 0.00 H new ATOM 0 HD21 LEU A 55 107.643 -1.928 -12.409 1.00 0.00 H new ATOM 0 HD22 LEU A 55 107.918 -0.249 -11.887 1.00 0.00 H new ATOM 0 HD23 LEU A 55 106.758 -0.597 -13.190 1.00 0.00 H new ATOM 890 N ARG A 56 106.724 3.019 -15.183 1.00 0.00 N ATOM 891 CA ARG A 56 106.585 4.508 -15.215 1.00 0.00 C ATOM 892 C ARG A 56 105.773 4.988 -14.003 1.00 0.00 C ATOM 893 O ARG A 56 105.035 4.226 -13.404 1.00 0.00 O ATOM 894 CB ARG A 56 105.856 4.826 -16.530 1.00 0.00 C ATOM 895 CG ARG A 56 104.439 4.235 -16.517 1.00 0.00 C ATOM 896 CD ARG A 56 103.734 4.559 -17.837 1.00 0.00 C ATOM 897 NE ARG A 56 104.493 3.810 -18.892 1.00 0.00 N ATOM 898 CZ ARG A 56 104.369 4.110 -20.172 1.00 0.00 C ATOM 899 NH1 ARG A 56 103.573 5.072 -20.581 1.00 0.00 N ATOM 900 NH2 ARG A 56 105.051 3.430 -21.053 1.00 0.00 N ATOM 0 H ARG A 56 105.934 2.522 -14.771 1.00 0.00 H new ATOM 0 HA ARG A 56 107.550 5.013 -15.167 1.00 0.00 H new ATOM 0 HB2 ARG A 56 105.805 5.905 -16.672 1.00 0.00 H new ATOM 0 HB3 ARG A 56 106.418 4.420 -17.371 1.00 0.00 H new ATOM 0 HG2 ARG A 56 104.486 3.155 -16.374 1.00 0.00 H new ATOM 0 HG3 ARG A 56 103.872 4.643 -15.681 1.00 0.00 H new ATOM 0 HD2 ARG A 56 102.689 4.249 -17.810 1.00 0.00 H new ATOM 0 HD3 ARG A 56 103.743 5.631 -18.034 1.00 0.00 H new ATOM 0 HE ARG A 56 105.118 3.053 -18.615 1.00 0.00 H new ATOM 0 HH11 ARG A 56 103.031 5.609 -19.903 1.00 0.00 H new ATOM 0 HH12 ARG A 56 103.497 5.282 -21.576 1.00 0.00 H new ATOM 0 HH21 ARG A 56 105.670 2.678 -20.749 1.00 0.00 H new ATOM 0 HH22 ARG A 56 104.965 3.651 -22.045 1.00 0.00 H new ATOM 914 N ILE A 57 105.907 6.240 -13.643 1.00 0.00 N ATOM 915 CA ILE A 57 105.077 6.803 -12.530 1.00 0.00 C ATOM 916 C ILE A 57 104.100 7.837 -13.100 1.00 0.00 C ATOM 917 O ILE A 57 104.490 8.726 -13.834 1.00 0.00 O ATOM 918 CB ILE A 57 106.074 7.464 -11.561 1.00 0.00 C ATOM 919 CG1 ILE A 57 107.090 6.422 -11.066 1.00 0.00 C ATOM 920 CG2 ILE A 57 105.316 8.035 -10.357 1.00 0.00 C ATOM 921 CD1 ILE A 57 108.218 7.122 -10.304 1.00 0.00 C ATOM 0 H ILE A 57 106.556 6.899 -14.072 1.00 0.00 H new ATOM 0 HA ILE A 57 104.486 6.041 -12.022 1.00 0.00 H new ATOM 0 HB ILE A 57 106.599 8.265 -12.082 1.00 0.00 H new ATOM 0 HG12 ILE A 57 106.596 5.697 -10.419 1.00 0.00 H new ATOM 0 HG13 ILE A 57 107.498 5.868 -11.911 1.00 0.00 H new ATOM 0 HG21 ILE A 57 106.022 8.503 -9.671 1.00 0.00 H new ATOM 0 HG22 ILE A 57 104.596 8.778 -10.699 1.00 0.00 H new ATOM 0 HG23 ILE A 57 104.790 7.230 -9.843 1.00 0.00 H new ATOM 0 HD11 ILE A 57 108.936 6.380 -9.955 1.00 0.00 H new ATOM 0 HD12 ILE A 57 108.719 7.829 -10.965 1.00 0.00 H new ATOM 0 HD13 ILE A 57 107.803 7.656 -9.449 1.00 0.00 H new ATOM 933 N LEU A 58 102.836 7.725 -12.765 1.00 0.00 N ATOM 934 CA LEU A 58 101.813 8.632 -13.376 1.00 0.00 C ATOM 935 C LEU A 58 101.733 9.948 -12.583 1.00 0.00 C ATOM 936 O LEU A 58 101.951 9.947 -11.387 1.00 0.00 O ATOM 937 CB LEU A 58 100.484 7.871 -13.288 1.00 0.00 C ATOM 938 CG LEU A 58 100.566 6.581 -14.112 1.00 0.00 C ATOM 939 CD1 LEU A 58 99.425 5.645 -13.709 1.00 0.00 C ATOM 940 CD2 LEU A 58 100.451 6.910 -15.601 1.00 0.00 C ATOM 0 H LEU A 58 102.470 7.047 -12.097 1.00 0.00 H new ATOM 0 HA LEU A 58 102.060 8.891 -14.406 1.00 0.00 H new ATOM 0 HB2 LEU A 58 100.258 7.635 -12.248 1.00 0.00 H new ATOM 0 HB3 LEU A 58 99.671 8.497 -13.656 1.00 0.00 H new ATOM 0 HG LEU A 58 101.523 6.094 -13.923 1.00 0.00 H new ATOM 0 HD11 LEU A 58 99.483 4.728 -14.295 1.00 0.00 H new ATOM 0 HD12 LEU A 58 99.509 5.405 -12.649 1.00 0.00 H new ATOM 0 HD13 LEU A 58 98.469 6.135 -13.896 1.00 0.00 H new ATOM 0 HD21 LEU A 58 100.510 5.990 -16.183 1.00 0.00 H new ATOM 0 HD22 LEU A 58 99.496 7.400 -15.793 1.00 0.00 H new ATOM 0 HD23 LEU A 58 101.265 7.575 -15.891 1.00 0.00 H new ATOM 952 N PRO A 59 101.421 11.039 -13.268 1.00 0.00 N ATOM 953 CA PRO A 59 101.309 12.357 -12.581 1.00 0.00 C ATOM 954 C PRO A 59 100.164 12.335 -11.558 1.00 0.00 C ATOM 955 O PRO A 59 99.130 11.736 -11.789 1.00 0.00 O ATOM 956 CB PRO A 59 101.009 13.352 -13.710 1.00 0.00 C ATOM 957 CG PRO A 59 101.300 12.626 -14.986 1.00 0.00 C ATOM 958 CD PRO A 59 101.153 11.157 -14.709 1.00 0.00 C ATOM 0 HA PRO A 59 102.212 12.618 -12.028 1.00 0.00 H new ATOM 0 HB2 PRO A 59 99.970 13.680 -13.676 1.00 0.00 H new ATOM 0 HB3 PRO A 59 101.628 14.244 -13.619 1.00 0.00 H new ATOM 0 HG2 PRO A 59 100.612 12.939 -15.772 1.00 0.00 H new ATOM 0 HG3 PRO A 59 102.307 12.852 -15.335 1.00 0.00 H new ATOM 0 HD2 PRO A 59 100.154 10.801 -14.960 1.00 0.00 H new ATOM 0 HD3 PRO A 59 101.858 10.568 -15.296 1.00 0.00 H new ATOM 966 N LYS A 60 100.349 12.983 -10.435 1.00 0.00 N ATOM 967 CA LYS A 60 99.277 13.017 -9.394 1.00 0.00 C ATOM 968 C LYS A 60 99.160 14.424 -8.798 1.00 0.00 C ATOM 969 O LYS A 60 100.135 15.004 -8.362 1.00 0.00 O ATOM 970 CB LYS A 60 99.728 12.017 -8.328 1.00 0.00 C ATOM 971 CG LYS A 60 98.602 11.804 -7.314 1.00 0.00 C ATOM 972 CD LYS A 60 99.078 10.856 -6.211 1.00 0.00 C ATOM 973 CE LYS A 60 97.907 10.517 -5.287 1.00 0.00 C ATOM 974 NZ LYS A 60 98.535 10.187 -3.977 1.00 0.00 N ATOM 0 H LYS A 60 101.200 13.492 -10.194 1.00 0.00 H new ATOM 0 HA LYS A 60 98.298 12.764 -9.801 1.00 0.00 H new ATOM 0 HB2 LYS A 60 99.995 11.069 -8.794 1.00 0.00 H new ATOM 0 HB3 LYS A 60 100.621 12.386 -7.823 1.00 0.00 H new ATOM 0 HG2 LYS A 60 98.302 12.759 -6.882 1.00 0.00 H new ATOM 0 HG3 LYS A 60 97.725 11.389 -7.811 1.00 0.00 H new ATOM 0 HD2 LYS A 60 99.484 9.945 -6.650 1.00 0.00 H new ATOM 0 HD3 LYS A 60 99.882 11.320 -5.640 1.00 0.00 H new ATOM 0 HE2 LYS A 60 97.220 11.358 -5.195 1.00 0.00 H new ATOM 0 HE3 LYS A 60 97.331 9.676 -5.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 60 97.795 9.943 -3.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 60 99.178 9.378 -4.094 1.00 0.00 H new ATOM 0 HZ3 LYS A 60 99.071 11.009 -3.632 1.00 0.00 H new ATOM 988 N ASN A 61 97.962 14.973 -8.778 1.00 0.00 N ATOM 989 CA ASN A 61 97.736 16.334 -8.175 1.00 0.00 C ATOM 990 C ASN A 61 98.688 17.375 -8.788 1.00 0.00 C ATOM 991 O ASN A 61 99.279 18.177 -8.087 1.00 0.00 O ATOM 992 CB ASN A 61 98.000 16.169 -6.671 1.00 0.00 C ATOM 993 CG ASN A 61 96.956 15.229 -6.065 1.00 0.00 C ATOM 994 OD1 ASN A 61 95.807 15.236 -6.463 1.00 0.00 O ATOM 995 ND2 ASN A 61 97.308 14.413 -5.108 1.00 0.00 N ATOM 0 H ASN A 61 97.124 14.532 -9.157 1.00 0.00 H new ATOM 0 HA ASN A 61 96.725 16.693 -8.369 1.00 0.00 H new ATOM 0 HB2 ASN A 61 99.001 15.769 -6.509 1.00 0.00 H new ATOM 0 HB3 ASN A 61 97.961 17.139 -6.176 1.00 0.00 H new ATOM 0 HD21 ASN A 61 96.620 13.783 -4.696 1.00 0.00 H new ATOM 0 HD22 ASN A 61 98.271 14.406 -4.773 1.00 0.00 H new ATOM 1002 N GLU A 62 98.834 17.362 -10.090 1.00 0.00 N ATOM 1003 CA GLU A 62 99.723 18.363 -10.763 1.00 0.00 C ATOM 1004 C GLU A 62 99.000 19.707 -10.887 1.00 0.00 C ATOM 1005 O GLU A 62 97.865 19.769 -11.327 1.00 0.00 O ATOM 1006 CB GLU A 62 100.018 17.782 -12.149 1.00 0.00 C ATOM 1007 CG GLU A 62 100.862 16.513 -12.007 1.00 0.00 C ATOM 1008 CD GLU A 62 102.279 16.884 -11.562 1.00 0.00 C ATOM 1009 OE1 GLU A 62 102.507 16.939 -10.365 1.00 0.00 O ATOM 1010 OE2 GLU A 62 103.110 17.108 -12.426 1.00 0.00 O ATOM 0 H GLU A 62 98.376 16.701 -10.718 1.00 0.00 H new ATOM 0 HA GLU A 62 100.639 18.541 -10.200 1.00 0.00 H new ATOM 0 HB2 GLU A 62 99.085 17.554 -12.665 1.00 0.00 H new ATOM 0 HB3 GLU A 62 100.547 18.516 -12.757 1.00 0.00 H new ATOM 0 HG2 GLU A 62 100.406 15.841 -11.280 1.00 0.00 H new ATOM 0 HG3 GLU A 62 100.897 15.979 -12.957 1.00 0.00 H new ATOM 1017 N ILE A 63 99.649 20.779 -10.502 1.00 0.00 N ATOM 1018 CA ILE A 63 99.001 22.127 -10.576 1.00 0.00 C ATOM 1019 C ILE A 63 99.930 23.112 -11.300 1.00 0.00 C ATOM 1020 O ILE A 63 99.515 23.819 -12.199 1.00 0.00 O ATOM 1021 CB ILE A 63 98.782 22.555 -9.113 1.00 0.00 C ATOM 1022 CG1 ILE A 63 97.871 21.542 -8.406 1.00 0.00 C ATOM 1023 CG2 ILE A 63 98.119 23.937 -9.068 1.00 0.00 C ATOM 1024 CD1 ILE A 63 97.885 21.803 -6.898 1.00 0.00 C ATOM 0 H ILE A 63 100.602 20.779 -10.139 1.00 0.00 H new ATOM 0 HA ILE A 63 98.062 22.107 -11.129 1.00 0.00 H new ATOM 0 HB ILE A 63 99.748 22.595 -8.610 1.00 0.00 H new ATOM 0 HG12 ILE A 63 96.854 21.623 -8.790 1.00 0.00 H new ATOM 0 HG13 ILE A 63 98.210 20.527 -8.613 1.00 0.00 H new ATOM 0 HG21 ILE A 63 97.967 24.234 -8.030 1.00 0.00 H new ATOM 0 HG22 ILE A 63 98.761 24.665 -9.563 1.00 0.00 H new ATOM 0 HG23 ILE A 63 97.157 23.896 -9.578 1.00 0.00 H new ATOM 0 HD11 ILE A 63 97.238 21.083 -6.398 1.00 0.00 H new ATOM 0 HD12 ILE A 63 98.902 21.700 -6.520 1.00 0.00 H new ATOM 0 HD13 ILE A 63 97.525 22.813 -6.700 1.00 0.00 H new ATOM 1036 N MET A 64 101.182 23.155 -10.911 1.00 0.00 N ATOM 1037 CA MET A 64 102.142 24.110 -11.555 1.00 0.00 C ATOM 1038 C MET A 64 102.410 23.700 -13.015 1.00 0.00 C ATOM 1039 O MET A 64 102.273 22.541 -13.357 1.00 0.00 O ATOM 1040 CB MET A 64 103.433 24.044 -10.718 1.00 0.00 C ATOM 1041 CG MET A 64 103.987 22.611 -10.683 1.00 0.00 C ATOM 1042 SD MET A 64 105.733 22.651 -10.208 1.00 0.00 S ATOM 1043 CE MET A 64 106.080 20.895 -10.472 1.00 0.00 C ATOM 0 H MET A 64 101.581 22.571 -10.176 1.00 0.00 H new ATOM 0 HA MET A 64 101.743 25.124 -11.582 1.00 0.00 H new ATOM 0 HB2 MET A 64 104.180 24.717 -11.139 1.00 0.00 H new ATOM 0 HB3 MET A 64 103.232 24.386 -9.703 1.00 0.00 H new ATOM 0 HG2 MET A 64 103.420 22.008 -9.974 1.00 0.00 H new ATOM 0 HG3 MET A 64 103.876 22.143 -11.661 1.00 0.00 H new ATOM 0 HE1 MET A 64 107.124 20.691 -10.234 1.00 0.00 H new ATOM 0 HE2 MET A 64 105.437 20.296 -9.827 1.00 0.00 H new ATOM 0 HE3 MET A 64 105.888 20.639 -11.514 1.00 0.00 H new ATOM 1053 N PRO A 65 102.786 24.665 -13.836 1.00 0.00 N ATOM 1054 CA PRO A 65 103.070 24.374 -15.267 1.00 0.00 C ATOM 1055 C PRO A 65 104.319 23.494 -15.397 1.00 0.00 C ATOM 1056 O PRO A 65 105.251 23.612 -14.622 1.00 0.00 O ATOM 1057 CB PRO A 65 103.307 25.753 -15.888 1.00 0.00 C ATOM 1058 CG PRO A 65 103.653 26.649 -14.742 1.00 0.00 C ATOM 1059 CD PRO A 65 102.980 26.090 -13.518 1.00 0.00 C ATOM 0 HA PRO A 65 102.261 23.831 -15.757 1.00 0.00 H new ATOM 0 HB2 PRO A 65 104.114 25.721 -16.620 1.00 0.00 H new ATOM 0 HB3 PRO A 65 102.418 26.107 -16.410 1.00 0.00 H new ATOM 0 HG2 PRO A 65 104.733 26.692 -14.601 1.00 0.00 H new ATOM 0 HG3 PRO A 65 103.315 27.667 -14.935 1.00 0.00 H new ATOM 0 HD2 PRO A 65 103.597 26.220 -12.629 1.00 0.00 H new ATOM 0 HD3 PRO A 65 102.030 26.588 -13.322 1.00 0.00 H new ATOM 1067 N LYS A 66 104.339 22.616 -16.369 1.00 0.00 N ATOM 1068 CA LYS A 66 105.524 21.724 -16.561 1.00 0.00 C ATOM 1069 C LYS A 66 106.494 22.346 -17.569 1.00 0.00 C ATOM 1070 O LYS A 66 106.112 22.711 -18.666 1.00 0.00 O ATOM 1071 CB LYS A 66 104.952 20.413 -17.103 1.00 0.00 C ATOM 1072 CG LYS A 66 106.046 19.342 -17.111 1.00 0.00 C ATOM 1073 CD LYS A 66 105.489 18.047 -17.707 1.00 0.00 C ATOM 1074 CE LYS A 66 106.533 16.936 -17.581 1.00 0.00 C ATOM 1075 NZ LYS A 66 107.428 17.114 -18.757 1.00 0.00 N ATOM 0 H LYS A 66 103.583 22.478 -17.040 1.00 0.00 H new ATOM 0 HA LYS A 66 106.081 21.572 -15.636 1.00 0.00 H new ATOM 0 HB2 LYS A 66 104.114 20.087 -16.487 1.00 0.00 H new ATOM 0 HB3 LYS A 66 104.567 20.562 -18.112 1.00 0.00 H new ATOM 0 HG2 LYS A 66 106.901 19.685 -17.694 1.00 0.00 H new ATOM 0 HG3 LYS A 66 106.403 19.164 -16.097 1.00 0.00 H new ATOM 0 HD2 LYS A 66 104.573 17.760 -17.189 1.00 0.00 H new ATOM 0 HD3 LYS A 66 105.229 18.199 -18.755 1.00 0.00 H new ATOM 0 HE2 LYS A 66 107.088 17.020 -16.646 1.00 0.00 H new ATOM 0 HE3 LYS A 66 106.065 15.952 -17.587 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 108.151 16.367 -18.759 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 106.868 17.056 -19.631 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 107.891 18.044 -18.703 1.00 0.00 H new ATOM 1089 N ASN A 67 107.753 22.468 -17.202 1.00 0.00 N ATOM 1090 CA ASN A 67 108.782 23.071 -18.122 1.00 0.00 C ATOM 1091 C ASN A 67 108.323 24.447 -18.629 1.00 0.00 C ATOM 1092 O ASN A 67 108.509 24.787 -19.784 1.00 0.00 O ATOM 1093 CB ASN A 67 108.921 22.081 -19.286 1.00 0.00 C ATOM 1094 CG ASN A 67 110.228 22.354 -20.033 1.00 0.00 C ATOM 1095 OD1 ASN A 67 111.298 22.265 -19.463 1.00 0.00 O ATOM 1096 ND2 ASN A 67 110.187 22.683 -21.294 1.00 0.00 N ATOM 0 H ASN A 67 108.116 22.173 -16.296 1.00 0.00 H new ATOM 0 HA ASN A 67 109.732 23.231 -17.613 1.00 0.00 H new ATOM 0 HB2 ASN A 67 108.911 21.058 -18.911 1.00 0.00 H new ATOM 0 HB3 ASN A 67 108.074 22.180 -19.965 1.00 0.00 H new ATOM 0 HD21 ASN A 67 111.053 22.866 -21.802 1.00 0.00 H new ATOM 0 HD22 ASN A 67 109.289 22.758 -21.773 1.00 0.00 H new ATOM 1103 N GLY A 68 107.729 25.236 -17.767 1.00 0.00 N ATOM 1104 CA GLY A 68 107.252 26.590 -18.181 1.00 0.00 C ATOM 1105 C GLY A 68 108.374 27.610 -17.980 1.00 0.00 C ATOM 1106 O GLY A 68 108.839 28.224 -18.924 1.00 0.00 O ATOM 0 H GLY A 68 107.554 24.998 -16.791 1.00 0.00 H new ATOM 0 HA2 GLY A 68 106.943 26.575 -19.226 1.00 0.00 H new ATOM 0 HA3 GLY A 68 106.378 26.874 -17.595 1.00 0.00 H new ATOM 1110 N THR A 69 108.809 27.794 -16.756 1.00 0.00 N ATOM 1111 CA THR A 69 109.904 28.775 -16.479 1.00 0.00 C ATOM 1112 C THR A 69 111.107 28.059 -15.858 1.00 0.00 C ATOM 1113 O THR A 69 110.956 27.208 -14.999 1.00 0.00 O ATOM 1114 CB THR A 69 109.300 29.770 -15.486 1.00 0.00 C ATOM 1115 OG1 THR A 69 108.040 30.214 -15.972 1.00 0.00 O ATOM 1116 CG2 THR A 69 110.235 30.969 -15.325 1.00 0.00 C ATOM 0 H THR A 69 108.451 27.305 -15.935 1.00 0.00 H new ATOM 0 HA THR A 69 110.259 29.267 -17.384 1.00 0.00 H new ATOM 0 HB THR A 69 109.169 29.283 -14.520 1.00 0.00 H new ATOM 0 HG1 THR A 69 107.650 30.850 -15.337 1.00 0.00 H new ATOM 0 HG21 THR A 69 109.802 31.676 -14.617 1.00 0.00 H new ATOM 0 HG22 THR A 69 111.202 30.629 -14.953 1.00 0.00 H new ATOM 0 HG23 THR A 69 110.369 31.458 -16.290 1.00 0.00 H new ATOM 1124 N LYS A 70 112.300 28.401 -16.287 1.00 0.00 N ATOM 1125 CA LYS A 70 113.528 27.732 -15.740 1.00 0.00 C ATOM 1126 C LYS A 70 113.689 28.041 -14.247 1.00 0.00 C ATOM 1127 O LYS A 70 114.169 27.221 -13.486 1.00 0.00 O ATOM 1128 CB LYS A 70 114.699 28.318 -16.534 1.00 0.00 C ATOM 1129 CG LYS A 70 114.606 27.864 -17.993 1.00 0.00 C ATOM 1130 CD LYS A 70 115.779 28.443 -18.784 1.00 0.00 C ATOM 1131 CE LYS A 70 117.052 27.654 -18.465 1.00 0.00 C ATOM 1132 NZ LYS A 70 116.995 26.459 -19.353 1.00 0.00 N ATOM 0 H LYS A 70 112.478 29.115 -16.993 1.00 0.00 H new ATOM 0 HA LYS A 70 113.473 26.648 -15.836 1.00 0.00 H new ATOM 0 HB2 LYS A 70 114.681 29.406 -16.479 1.00 0.00 H new ATOM 0 HB3 LYS A 70 115.645 27.993 -16.101 1.00 0.00 H new ATOM 0 HG2 LYS A 70 114.619 26.775 -18.048 1.00 0.00 H new ATOM 0 HG3 LYS A 70 113.662 28.194 -18.428 1.00 0.00 H new ATOM 0 HD2 LYS A 70 115.568 28.397 -19.852 1.00 0.00 H new ATOM 0 HD3 LYS A 70 115.918 29.494 -18.532 1.00 0.00 H new ATOM 0 HE2 LYS A 70 117.945 28.249 -18.660 1.00 0.00 H new ATOM 0 HE3 LYS A 70 117.085 27.365 -17.415 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 117.374 25.633 -18.848 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 116.008 26.276 -19.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 117.563 26.633 -20.206 1.00 0.00 H new ATOM 1146 N SER A 71 113.290 29.218 -13.830 1.00 0.00 N ATOM 1147 CA SER A 71 113.430 29.601 -12.392 1.00 0.00 C ATOM 1148 C SER A 71 112.043 29.716 -11.734 1.00 0.00 C ATOM 1149 O SER A 71 111.437 30.771 -11.767 1.00 0.00 O ATOM 1150 CB SER A 71 114.133 30.958 -12.413 1.00 0.00 C ATOM 1151 OG SER A 71 115.355 30.843 -13.131 1.00 0.00 O ATOM 0 H SER A 71 112.872 29.932 -14.427 1.00 0.00 H new ATOM 0 HA SER A 71 113.989 28.862 -11.818 1.00 0.00 H new ATOM 0 HB2 SER A 71 113.492 31.705 -12.881 1.00 0.00 H new ATOM 0 HB3 SER A 71 114.326 31.296 -11.395 1.00 0.00 H new ATOM 0 HG SER A 71 115.808 31.712 -13.148 1.00 0.00 H new ATOM 1157 N PRO A 72 111.575 28.624 -11.153 1.00 0.00 N ATOM 1158 CA PRO A 72 110.253 28.639 -10.468 1.00 0.00 C ATOM 1159 C PRO A 72 110.286 29.572 -9.249 1.00 0.00 C ATOM 1160 O PRO A 72 109.281 30.152 -8.877 1.00 0.00 O ATOM 1161 CB PRO A 72 110.037 27.185 -10.037 1.00 0.00 C ATOM 1162 CG PRO A 72 111.394 26.556 -10.060 1.00 0.00 C ATOM 1163 CD PRO A 72 112.213 27.299 -11.078 1.00 0.00 C ATOM 0 HA PRO A 72 109.452 29.006 -11.110 1.00 0.00 H new ATOM 0 HB2 PRO A 72 109.597 27.132 -9.041 1.00 0.00 H new ATOM 0 HB3 PRO A 72 109.355 26.672 -10.715 1.00 0.00 H new ATOM 0 HG2 PRO A 72 111.860 26.612 -9.076 1.00 0.00 H new ATOM 0 HG3 PRO A 72 111.324 25.500 -10.320 1.00 0.00 H new ATOM 0 HD2 PRO A 72 113.256 27.375 -10.772 1.00 0.00 H new ATOM 0 HD3 PRO A 72 112.201 26.795 -12.044 1.00 0.00 H new ATOM 1171 N SER A 73 111.433 29.718 -8.629 1.00 0.00 N ATOM 1172 CA SER A 73 111.550 30.629 -7.450 1.00 0.00 C ATOM 1173 C SER A 73 112.486 31.795 -7.776 1.00 0.00 C ATOM 1174 O SER A 73 113.406 31.660 -8.562 1.00 0.00 O ATOM 1175 CB SER A 73 112.141 29.762 -6.339 1.00 0.00 C ATOM 1176 OG SER A 73 111.283 28.654 -6.101 1.00 0.00 O ATOM 0 H SER A 73 112.296 29.242 -8.892 1.00 0.00 H new ATOM 0 HA SER A 73 110.591 31.061 -7.164 1.00 0.00 H new ATOM 0 HB2 SER A 73 113.134 29.413 -6.623 1.00 0.00 H new ATOM 0 HB3 SER A 73 112.258 30.348 -5.428 1.00 0.00 H new ATOM 0 HG SER A 73 111.660 28.095 -5.390 1.00 0.00 H new ATOM 1182 N THR A 74 112.256 32.939 -7.176 1.00 0.00 N ATOM 1183 CA THR A 74 113.116 34.130 -7.456 1.00 0.00 C ATOM 1184 C THR A 74 113.953 34.479 -6.221 1.00 0.00 C ATOM 1185 O THR A 74 113.479 34.410 -5.102 1.00 0.00 O ATOM 1186 CB THR A 74 112.136 35.259 -7.778 1.00 0.00 C ATOM 1187 OG1 THR A 74 111.214 34.815 -8.764 1.00 0.00 O ATOM 1188 CG2 THR A 74 112.904 36.472 -8.305 1.00 0.00 C ATOM 0 H THR A 74 111.507 33.098 -6.502 1.00 0.00 H new ATOM 0 HA THR A 74 113.815 33.953 -8.273 1.00 0.00 H new ATOM 0 HB THR A 74 111.596 35.540 -6.874 1.00 0.00 H new ATOM 0 HG1 THR A 74 110.584 35.536 -8.971 1.00 0.00 H new ATOM 0 HG21 THR A 74 112.203 37.275 -8.534 1.00 0.00 H new ATOM 0 HG22 THR A 74 113.611 36.812 -7.548 1.00 0.00 H new ATOM 0 HG23 THR A 74 113.446 36.195 -9.209 1.00 0.00 H new ATOM 1196 N ASN A 75 115.194 34.854 -6.422 1.00 0.00 N ATOM 1197 CA ASN A 75 116.076 35.209 -5.268 1.00 0.00 C ATOM 1198 C ASN A 75 116.151 36.732 -5.100 1.00 0.00 C ATOM 1199 O ASN A 75 117.149 37.262 -4.644 1.00 0.00 O ATOM 1200 CB ASN A 75 117.451 34.643 -5.631 1.00 0.00 C ATOM 1201 CG ASN A 75 117.390 33.113 -5.648 1.00 0.00 C ATOM 1202 OD1 ASN A 75 116.715 32.511 -4.838 1.00 0.00 O ATOM 1203 ND2 ASN A 75 118.071 32.457 -6.547 1.00 0.00 N ATOM 0 H ASN A 75 115.634 34.929 -7.339 1.00 0.00 H new ATOM 0 HA ASN A 75 115.702 34.806 -4.327 1.00 0.00 H new ATOM 0 HB2 ASN A 75 117.762 35.015 -6.607 1.00 0.00 H new ATOM 0 HB3 ASN A 75 118.196 34.979 -4.909 1.00 0.00 H new ATOM 0 HD21 ASN A 75 118.036 31.438 -6.570 1.00 0.00 H new ATOM 0 HD22 ASN A 75 118.638 32.963 -7.227 1.00 0.00 H new ATOM 1210 N SER A 76 115.105 37.434 -5.463 1.00 0.00 N ATOM 1211 CA SER A 76 115.109 38.923 -5.334 1.00 0.00 C ATOM 1212 C SER A 76 113.674 39.439 -5.155 1.00 0.00 C ATOM 1213 O SER A 76 113.193 40.253 -5.925 1.00 0.00 O ATOM 1214 CB SER A 76 115.715 39.429 -6.645 1.00 0.00 C ATOM 1215 OG SER A 76 117.132 39.438 -6.533 1.00 0.00 O ATOM 0 H SER A 76 114.246 37.037 -5.844 1.00 0.00 H new ATOM 0 HA SER A 76 115.676 39.268 -4.469 1.00 0.00 H new ATOM 0 HB2 SER A 76 115.408 38.789 -7.472 1.00 0.00 H new ATOM 0 HB3 SER A 76 115.349 40.432 -6.865 1.00 0.00 H new ATOM 0 HG SER A 76 117.412 38.775 -5.868 1.00 0.00 H new ATOM 1221 N THR A 77 112.991 38.970 -4.139 1.00 0.00 N ATOM 1222 CA THR A 77 111.578 39.406 -3.905 1.00 0.00 C ATOM 1223 C THR A 77 111.369 39.775 -2.429 1.00 0.00 C ATOM 1224 O THR A 77 112.168 39.429 -1.577 1.00 0.00 O ATOM 1225 CB THR A 77 110.709 38.202 -4.303 1.00 0.00 C ATOM 1226 OG1 THR A 77 109.339 38.533 -4.120 1.00 0.00 O ATOM 1227 CG2 THR A 77 111.056 36.977 -3.446 1.00 0.00 C ATOM 0 H THR A 77 113.353 38.301 -3.459 1.00 0.00 H new ATOM 0 HA THR A 77 111.320 40.292 -4.485 1.00 0.00 H new ATOM 0 HB THR A 77 110.900 37.961 -5.349 1.00 0.00 H new ATOM 0 HG1 THR A 77 108.794 38.040 -4.768 1.00 0.00 H new ATOM 0 HG21 THR A 77 110.430 36.136 -3.743 1.00 0.00 H new ATOM 0 HG22 THR A 77 112.105 36.718 -3.590 1.00 0.00 H new ATOM 0 HG23 THR A 77 110.880 37.207 -2.395 1.00 0.00 H new ATOM 1235 N LYS A 78 110.301 40.473 -2.130 1.00 0.00 N ATOM 1236 CA LYS A 78 110.023 40.868 -0.714 1.00 0.00 C ATOM 1237 C LYS A 78 109.244 39.760 -0.001 1.00 0.00 C ATOM 1238 O LYS A 78 109.089 38.669 -0.520 1.00 0.00 O ATOM 1239 CB LYS A 78 109.181 42.142 -0.806 1.00 0.00 C ATOM 1240 CG LYS A 78 110.027 43.273 -1.395 1.00 0.00 C ATOM 1241 CD LYS A 78 109.219 44.574 -1.385 1.00 0.00 C ATOM 1242 CE LYS A 78 110.021 45.677 -2.078 1.00 0.00 C ATOM 1243 NZ LYS A 78 109.763 45.484 -3.532 1.00 0.00 N ATOM 0 H LYS A 78 109.607 40.787 -2.808 1.00 0.00 H new ATOM 0 HA LYS A 78 110.939 41.031 -0.147 1.00 0.00 H new ATOM 0 HB2 LYS A 78 108.304 41.967 -1.430 1.00 0.00 H new ATOM 0 HB3 LYS A 78 108.818 42.422 0.183 1.00 0.00 H new ATOM 0 HG2 LYS A 78 110.942 43.396 -0.816 1.00 0.00 H new ATOM 0 HG3 LYS A 78 110.325 43.026 -2.414 1.00 0.00 H new ATOM 0 HD2 LYS A 78 108.267 44.427 -1.894 1.00 0.00 H new ATOM 0 HD3 LYS A 78 108.991 44.865 -0.360 1.00 0.00 H new ATOM 0 HE2 LYS A 78 109.700 46.665 -1.748 1.00 0.00 H new ATOM 0 HE3 LYS A 78 111.084 45.594 -1.851 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 110.643 45.640 -4.064 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 109.425 44.515 -3.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 109.041 46.162 -3.849 1.00 0.00 H new ATOM 1257 N LEU A 79 108.754 40.032 1.186 1.00 0.00 N ATOM 1258 CA LEU A 79 107.990 38.993 1.954 1.00 0.00 C ATOM 1259 C LEU A 79 106.723 38.587 1.190 1.00 0.00 C ATOM 1260 O LEU A 79 106.364 37.426 1.156 1.00 0.00 O ATOM 1261 CB LEU A 79 107.622 39.657 3.286 1.00 0.00 C ATOM 1262 CG LEU A 79 107.024 38.615 4.234 1.00 0.00 C ATOM 1263 CD1 LEU A 79 108.146 37.767 4.835 1.00 0.00 C ATOM 1264 CD2 LEU A 79 106.265 39.325 5.356 1.00 0.00 C ATOM 0 H LEU A 79 108.850 40.931 1.658 1.00 0.00 H new ATOM 0 HA LEU A 79 108.577 38.086 2.102 1.00 0.00 H new ATOM 0 HB2 LEU A 79 108.507 40.107 3.736 1.00 0.00 H new ATOM 0 HB3 LEU A 79 106.907 40.462 3.117 1.00 0.00 H new ATOM 0 HG LEU A 79 106.340 37.971 3.681 1.00 0.00 H new ATOM 0 HD11 LEU A 79 107.720 37.025 5.510 1.00 0.00 H new ATOM 0 HD12 LEU A 79 108.688 37.261 4.036 1.00 0.00 H new ATOM 0 HD13 LEU A 79 108.831 38.409 5.388 1.00 0.00 H new ATOM 0 HD21 LEU A 79 105.838 38.584 6.032 1.00 0.00 H new ATOM 0 HD22 LEU A 79 106.950 39.968 5.908 1.00 0.00 H new ATOM 0 HD23 LEU A 79 105.465 39.929 4.928 1.00 0.00 H new ATOM 1276 N LYS A 80 106.055 39.548 0.578 1.00 0.00 N ATOM 1277 CA LYS A 80 104.795 39.285 -0.216 1.00 0.00 C ATOM 1278 C LYS A 80 103.913 38.191 0.421 1.00 0.00 C ATOM 1279 O LYS A 80 103.361 37.350 -0.266 1.00 0.00 O ATOM 1280 CB LYS A 80 105.262 38.882 -1.629 1.00 0.00 C ATOM 1281 CG LYS A 80 106.044 37.562 -1.602 1.00 0.00 C ATOM 1282 CD LYS A 80 106.262 37.071 -3.034 1.00 0.00 C ATOM 1283 CE LYS A 80 106.793 35.636 -3.006 1.00 0.00 C ATOM 1284 NZ LYS A 80 106.543 35.107 -4.376 1.00 0.00 N ATOM 0 H LYS A 80 106.337 40.528 0.596 1.00 0.00 H new ATOM 0 HA LYS A 80 104.165 40.174 -0.240 1.00 0.00 H new ATOM 0 HB2 LYS A 80 104.398 38.782 -2.285 1.00 0.00 H new ATOM 0 HB3 LYS A 80 105.889 39.670 -2.046 1.00 0.00 H new ATOM 0 HG2 LYS A 80 107.003 37.705 -1.105 1.00 0.00 H new ATOM 0 HG3 LYS A 80 105.496 36.814 -1.029 1.00 0.00 H new ATOM 0 HD2 LYS A 80 105.326 37.113 -3.591 1.00 0.00 H new ATOM 0 HD3 LYS A 80 106.969 37.722 -3.549 1.00 0.00 H new ATOM 0 HE2 LYS A 80 107.855 35.613 -2.761 1.00 0.00 H new ATOM 0 HE3 LYS A 80 106.279 35.039 -2.252 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 106.881 34.125 -4.436 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 105.523 35.135 -4.578 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 107.050 35.691 -5.071 1.00 0.00 H new ATOM 1298 N SER A 81 103.784 38.206 1.726 1.00 0.00 N ATOM 1299 CA SER A 81 102.962 37.162 2.421 1.00 0.00 C ATOM 1300 C SER A 81 101.489 37.283 2.015 1.00 0.00 C ATOM 1301 O SER A 81 100.781 36.295 1.925 1.00 0.00 O ATOM 1302 CB SER A 81 103.127 37.440 3.917 1.00 0.00 C ATOM 1303 OG SER A 81 102.505 38.679 4.235 1.00 0.00 O ATOM 0 H SER A 81 104.213 38.897 2.342 1.00 0.00 H new ATOM 0 HA SER A 81 103.283 36.154 2.159 1.00 0.00 H new ATOM 0 HB2 SER A 81 102.680 36.635 4.500 1.00 0.00 H new ATOM 0 HB3 SER A 81 104.185 37.473 4.178 1.00 0.00 H new ATOM 0 HG SER A 81 102.607 38.860 5.193 1.00 0.00 H new ATOM 1309 N ALA A 82 101.028 38.486 1.772 1.00 0.00 N ATOM 1310 CA ALA A 82 99.607 38.677 1.338 1.00 0.00 C ATOM 1311 C ALA A 82 99.438 38.231 -0.117 1.00 0.00 C ATOM 1312 O ALA A 82 98.424 37.668 -0.487 1.00 0.00 O ATOM 1313 CB ALA A 82 99.337 40.178 1.473 1.00 0.00 C ATOM 0 H ALA A 82 101.573 39.344 1.855 1.00 0.00 H new ATOM 0 HA ALA A 82 98.913 38.088 1.938 1.00 0.00 H new ATOM 0 HB1 ALA A 82 98.312 40.392 1.171 1.00 0.00 H new ATOM 0 HB2 ALA A 82 99.481 40.482 2.510 1.00 0.00 H new ATOM 0 HB3 ALA A 82 100.026 40.731 0.834 1.00 0.00 H new ATOM 1319 N GLU A 83 100.428 38.480 -0.941 1.00 0.00 N ATOM 1320 CA GLU A 83 100.347 38.053 -2.374 1.00 0.00 C ATOM 1321 C GLU A 83 100.445 36.528 -2.476 1.00 0.00 C ATOM 1322 O GLU A 83 99.832 35.916 -3.331 1.00 0.00 O ATOM 1323 CB GLU A 83 101.543 38.716 -3.065 1.00 0.00 C ATOM 1324 CG GLU A 83 101.440 38.513 -4.579 1.00 0.00 C ATOM 1325 CD GLU A 83 102.698 39.059 -5.259 1.00 0.00 C ATOM 1326 OE1 GLU A 83 103.779 38.817 -4.745 1.00 0.00 O ATOM 1327 OE2 GLU A 83 102.560 39.711 -6.281 1.00 0.00 O ATOM 0 H GLU A 83 101.289 38.961 -0.683 1.00 0.00 H new ATOM 0 HA GLU A 83 99.403 38.345 -2.835 1.00 0.00 H new ATOM 0 HB2 GLU A 83 101.566 39.780 -2.832 1.00 0.00 H new ATOM 0 HB3 GLU A 83 102.474 38.288 -2.693 1.00 0.00 H new ATOM 0 HG2 GLU A 83 101.323 37.453 -4.806 1.00 0.00 H new ATOM 0 HG3 GLU A 83 100.556 39.022 -4.965 1.00 0.00 H new ATOM 1334 N THR A 84 101.211 35.915 -1.607 1.00 0.00 N ATOM 1335 CA THR A 84 101.366 34.427 -1.646 1.00 0.00 C ATOM 1336 C THR A 84 100.297 33.763 -0.774 1.00 0.00 C ATOM 1337 O THR A 84 99.910 34.288 0.254 1.00 0.00 O ATOM 1338 CB THR A 84 102.764 34.153 -1.086 1.00 0.00 C ATOM 1339 OG1 THR A 84 103.709 34.973 -1.759 1.00 0.00 O ATOM 1340 CG2 THR A 84 103.121 32.680 -1.297 1.00 0.00 C ATOM 0 H THR A 84 101.738 36.383 -0.869 1.00 0.00 H new ATOM 0 HA THR A 84 101.249 34.027 -2.653 1.00 0.00 H new ATOM 0 HB THR A 84 102.780 34.378 -0.020 1.00 0.00 H new ATOM 0 HG1 THR A 84 103.670 35.883 -1.396 1.00 0.00 H new ATOM 0 HG21 THR A 84 104.117 32.486 -0.898 1.00 0.00 H new ATOM 0 HG22 THR A 84 102.395 32.052 -0.781 1.00 0.00 H new ATOM 0 HG23 THR A 84 103.106 32.451 -2.363 1.00 0.00 H new ATOM 1348 N TYR A 85 99.820 32.610 -1.180 1.00 0.00 N ATOM 1349 CA TYR A 85 98.765 31.904 -0.391 1.00 0.00 C ATOM 1350 C TYR A 85 99.346 30.650 0.267 1.00 0.00 C ATOM 1351 O TYR A 85 100.147 29.947 -0.321 1.00 0.00 O ATOM 1352 CB TYR A 85 97.693 31.524 -1.412 1.00 0.00 C ATOM 1353 CG TYR A 85 97.048 32.715 -2.081 1.00 0.00 C ATOM 1354 CD1 TYR A 85 95.942 33.357 -1.471 1.00 0.00 C ATOM 1355 CD2 TYR A 85 97.547 33.190 -3.318 1.00 0.00 C ATOM 1356 CE1 TYR A 85 95.338 34.474 -2.097 1.00 0.00 C ATOM 1357 CE2 TYR A 85 96.942 34.306 -3.945 1.00 0.00 C ATOM 1358 CZ TYR A 85 95.837 34.948 -3.334 1.00 0.00 C ATOM 1359 OH TYR A 85 95.248 36.037 -3.945 1.00 0.00 O ATOM 0 H TYR A 85 100.118 32.127 -2.028 1.00 0.00 H new ATOM 0 HA TYR A 85 98.364 32.526 0.409 1.00 0.00 H new ATOM 0 HB2 TYR A 85 98.139 30.886 -2.175 1.00 0.00 H new ATOM 0 HB3 TYR A 85 96.922 30.935 -0.915 1.00 0.00 H new ATOM 0 HD1 TYR A 85 95.560 32.994 -0.528 1.00 0.00 H new ATOM 0 HD2 TYR A 85 98.390 32.701 -3.784 1.00 0.00 H new ATOM 0 HE1 TYR A 85 94.496 34.965 -1.631 1.00 0.00 H new ATOM 0 HE2 TYR A 85 97.323 34.668 -4.889 1.00 0.00 H new ATOM 0 HH TYR A 85 95.713 36.232 -4.785 1.00 0.00 H new ATOM 1369 N SER A 86 98.946 30.369 1.484 1.00 0.00 N ATOM 1370 CA SER A 86 99.463 29.160 2.194 1.00 0.00 C ATOM 1371 C SER A 86 98.350 28.117 2.336 1.00 0.00 C ATOM 1372 O SER A 86 97.184 28.455 2.433 1.00 0.00 O ATOM 1373 CB SER A 86 99.902 29.665 3.568 1.00 0.00 C ATOM 1374 OG SER A 86 100.520 28.602 4.282 1.00 0.00 O ATOM 0 H SER A 86 98.281 30.929 2.017 1.00 0.00 H new ATOM 0 HA SER A 86 100.281 28.682 1.656 1.00 0.00 H new ATOM 0 HB2 SER A 86 100.597 30.497 3.458 1.00 0.00 H new ATOM 0 HB3 SER A 86 99.042 30.040 4.123 1.00 0.00 H new ATOM 0 HG SER A 86 100.805 28.922 5.163 1.00 0.00 H new ATOM 1380 N SER A 87 98.704 26.854 2.346 1.00 0.00 N ATOM 1381 CA SER A 87 97.673 25.779 2.465 1.00 0.00 C ATOM 1382 C SER A 87 97.769 25.100 3.834 1.00 0.00 C ATOM 1383 O SER A 87 98.846 24.932 4.377 1.00 0.00 O ATOM 1384 CB SER A 87 98.007 24.787 1.351 1.00 0.00 C ATOM 1385 OG SER A 87 97.978 25.460 0.099 1.00 0.00 O ATOM 0 H SER A 87 99.666 26.522 2.277 1.00 0.00 H new ATOM 0 HA SER A 87 96.659 26.168 2.376 1.00 0.00 H new ATOM 0 HB2 SER A 87 98.992 24.351 1.520 1.00 0.00 H new ATOM 0 HB3 SER A 87 97.290 23.966 1.352 1.00 0.00 H new ATOM 0 HG SER A 87 98.193 24.827 -0.618 1.00 0.00 H new ATOM 1391 N LYS A 88 96.648 24.712 4.392 1.00 0.00 N ATOM 1392 CA LYS A 88 96.657 24.042 5.729 1.00 0.00 C ATOM 1393 C LYS A 88 95.356 23.256 5.939 1.00 0.00 C ATOM 1394 O LYS A 88 94.835 23.187 7.036 1.00 0.00 O ATOM 1395 CB LYS A 88 96.789 25.182 6.754 1.00 0.00 C ATOM 1396 CG LYS A 88 95.605 26.152 6.635 1.00 0.00 C ATOM 1397 CD LYS A 88 95.825 27.343 7.571 1.00 0.00 C ATOM 1398 CE LYS A 88 94.534 28.159 7.670 1.00 0.00 C ATOM 1399 NZ LYS A 88 94.544 29.042 6.470 1.00 0.00 N ATOM 0 H LYS A 88 95.724 24.831 3.977 1.00 0.00 H new ATOM 0 HA LYS A 88 97.472 23.324 5.826 1.00 0.00 H new ATOM 0 HB2 LYS A 88 96.829 24.770 7.762 1.00 0.00 H new ATOM 0 HB3 LYS A 88 97.724 25.718 6.592 1.00 0.00 H new ATOM 0 HG2 LYS A 88 95.506 26.498 5.606 1.00 0.00 H new ATOM 0 HG3 LYS A 88 94.676 25.642 6.890 1.00 0.00 H new ATOM 0 HD2 LYS A 88 96.123 26.992 8.559 1.00 0.00 H new ATOM 0 HD3 LYS A 88 96.635 27.968 7.197 1.00 0.00 H new ATOM 0 HE2 LYS A 88 93.657 27.512 7.676 1.00 0.00 H new ATOM 0 HE3 LYS A 88 94.506 28.743 8.590 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 93.689 29.633 6.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 95.386 29.652 6.494 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 94.564 28.458 5.610 1.00 0.00 H new ATOM 1413 N ASN A 89 94.835 22.666 4.890 1.00 0.00 N ATOM 1414 CA ASN A 89 93.555 21.894 5.013 1.00 0.00 C ATOM 1415 C ASN A 89 93.796 20.581 5.767 1.00 0.00 C ATOM 1416 O ASN A 89 94.924 20.162 5.957 1.00 0.00 O ATOM 1417 CB ASN A 89 93.085 21.626 3.572 1.00 0.00 C ATOM 1418 CG ASN A 89 94.144 20.829 2.796 1.00 0.00 C ATOM 1419 OD1 ASN A 89 94.510 19.739 3.188 1.00 0.00 O ATOM 1420 ND2 ASN A 89 94.652 21.334 1.705 1.00 0.00 N ATOM 0 H ASN A 89 95.240 22.685 3.954 1.00 0.00 H new ATOM 0 HA ASN A 89 92.801 22.445 5.575 1.00 0.00 H new ATOM 0 HB2 ASN A 89 92.146 21.074 3.587 1.00 0.00 H new ATOM 0 HB3 ASN A 89 92.891 22.571 3.066 1.00 0.00 H new ATOM 0 HD21 ASN A 89 95.356 20.813 1.182 1.00 0.00 H new ATOM 0 HD22 ASN A 89 94.345 22.249 1.376 1.00 0.00 H new ATOM 1427 N LYS A 90 92.739 19.932 6.195 1.00 0.00 N ATOM 1428 CA LYS A 90 92.889 18.649 6.947 1.00 0.00 C ATOM 1429 C LYS A 90 92.538 17.462 6.045 1.00 0.00 C ATOM 1430 O LYS A 90 91.941 17.626 4.996 1.00 0.00 O ATOM 1431 CB LYS A 90 91.900 18.750 8.109 1.00 0.00 C ATOM 1432 CG LYS A 90 92.351 19.848 9.073 1.00 0.00 C ATOM 1433 CD LYS A 90 91.424 19.873 10.291 1.00 0.00 C ATOM 1434 CE LYS A 90 91.784 21.061 11.184 1.00 0.00 C ATOM 1435 NZ LYS A 90 93.017 20.641 11.906 1.00 0.00 N ATOM 0 H LYS A 90 91.776 20.238 6.054 1.00 0.00 H new ATOM 0 HA LYS A 90 93.910 18.493 7.294 1.00 0.00 H new ATOM 0 HB2 LYS A 90 90.902 18.971 7.732 1.00 0.00 H new ATOM 0 HB3 LYS A 90 91.839 17.796 8.632 1.00 0.00 H new ATOM 0 HG2 LYS A 90 93.379 19.669 9.389 1.00 0.00 H new ATOM 0 HG3 LYS A 90 92.335 20.816 8.571 1.00 0.00 H new ATOM 0 HD2 LYS A 90 90.385 19.949 9.969 1.00 0.00 H new ATOM 0 HD3 LYS A 90 91.517 18.943 10.851 1.00 0.00 H new ATOM 0 HE2 LYS A 90 91.960 21.960 10.593 1.00 0.00 H new ATOM 0 HE3 LYS A 90 90.977 21.290 11.881 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 92.855 20.698 12.932 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 93.254 19.662 11.647 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 93.804 21.269 11.644 1.00 0.00 H new ATOM 1449 N TRP A 91 92.908 16.268 6.447 1.00 0.00 N ATOM 1450 CA TRP A 91 92.596 15.054 5.622 1.00 0.00 C ATOM 1451 C TRP A 91 91.080 14.861 5.495 1.00 0.00 C ATOM 1452 O TRP A 91 90.594 14.357 4.499 1.00 0.00 O ATOM 1453 CB TRP A 91 93.220 13.877 6.378 1.00 0.00 C ATOM 1454 CG TRP A 91 94.715 13.862 6.328 1.00 0.00 C ATOM 1455 CD1 TRP A 91 95.529 14.216 7.351 1.00 0.00 C ATOM 1456 CD2 TRP A 91 95.583 13.480 5.222 1.00 0.00 C ATOM 1457 NE1 TRP A 91 96.847 14.077 6.947 1.00 0.00 N ATOM 1458 CE2 TRP A 91 96.940 13.628 5.645 1.00 0.00 C ATOM 1459 CE3 TRP A 91 95.336 13.023 3.899 1.00 0.00 C ATOM 1460 CZ2 TRP A 91 98.018 13.332 4.785 1.00 0.00 C ATOM 1461 CZ3 TRP A 91 96.418 12.723 3.029 1.00 0.00 C ATOM 1462 CH2 TRP A 91 97.757 12.877 3.471 1.00 0.00 C ATOM 0 H TRP A 91 93.414 16.081 7.313 1.00 0.00 H new ATOM 0 HA TRP A 91 92.989 15.144 4.609 1.00 0.00 H new ATOM 0 HB2 TRP A 91 92.899 13.913 7.419 1.00 0.00 H new ATOM 0 HB3 TRP A 91 92.841 12.945 5.960 1.00 0.00 H new ATOM 0 HD1 TRP A 91 95.203 14.552 8.324 1.00 0.00 H new ATOM 0 HE1 TRP A 91 97.651 14.282 7.540 1.00 0.00 H new ATOM 0 HE3 TRP A 91 94.320 12.903 3.553 1.00 0.00 H new ATOM 0 HZ2 TRP A 91 99.035 13.452 5.127 1.00 0.00 H new ATOM 0 HZ3 TRP A 91 96.220 12.376 2.026 1.00 0.00 H new ATOM 0 HH2 TRP A 91 98.576 12.647 2.806 1.00 0.00 H new ATOM 1473 N SER A 92 90.334 15.260 6.499 1.00 0.00 N ATOM 1474 CA SER A 92 88.844 15.107 6.444 1.00 0.00 C ATOM 1475 C SER A 92 88.254 16.040 5.381 1.00 0.00 C ATOM 1476 O SER A 92 88.908 16.956 4.918 1.00 0.00 O ATOM 1477 CB SER A 92 88.341 15.496 7.836 1.00 0.00 C ATOM 1478 OG SER A 92 88.549 16.887 8.040 1.00 0.00 O ATOM 0 H SER A 92 90.693 15.685 7.354 1.00 0.00 H new ATOM 0 HA SER A 92 88.549 14.092 6.178 1.00 0.00 H new ATOM 0 HB2 SER A 92 87.282 15.257 7.932 1.00 0.00 H new ATOM 0 HB3 SER A 92 88.868 14.922 8.599 1.00 0.00 H new ATOM 0 HG SER A 92 88.226 17.139 8.930 1.00 0.00 H new ATOM 1484 N MET A 93 87.017 15.808 4.992 1.00 0.00 N ATOM 1485 CA MET A 93 86.350 16.656 3.942 1.00 0.00 C ATOM 1486 C MET A 93 87.207 16.740 2.669 1.00 0.00 C ATOM 1487 O MET A 93 88.273 16.158 2.588 1.00 0.00 O ATOM 1488 CB MET A 93 86.185 18.045 4.572 1.00 0.00 C ATOM 1489 CG MET A 93 85.204 17.966 5.746 1.00 0.00 C ATOM 1490 SD MET A 93 83.523 17.708 5.122 1.00 0.00 S ATOM 1491 CE MET A 93 83.347 19.299 4.277 1.00 0.00 C ATOM 0 H MET A 93 86.434 15.058 5.362 1.00 0.00 H new ATOM 0 HA MET A 93 85.392 16.231 3.642 1.00 0.00 H new ATOM 0 HB2 MET A 93 87.150 18.416 4.917 1.00 0.00 H new ATOM 0 HB3 MET A 93 85.820 18.752 3.827 1.00 0.00 H new ATOM 0 HG2 MET A 93 85.484 17.150 6.412 1.00 0.00 H new ATOM 0 HG3 MET A 93 85.248 18.884 6.331 1.00 0.00 H new ATOM 0 HE1 MET A 93 82.302 19.607 4.296 1.00 0.00 H new ATOM 0 HE2 MET A 93 83.956 20.049 4.782 1.00 0.00 H new ATOM 0 HE3 MET A 93 83.677 19.200 3.243 1.00 0.00 H new ATOM 1501 N ASP A 94 86.740 17.460 1.678 1.00 0.00 N ATOM 1502 CA ASP A 94 87.509 17.587 0.399 1.00 0.00 C ATOM 1503 C ASP A 94 87.918 19.047 0.164 1.00 0.00 C ATOM 1504 O ASP A 94 87.332 19.959 0.719 1.00 0.00 O ATOM 1505 CB ASP A 94 86.556 17.099 -0.703 1.00 0.00 C ATOM 1506 CG ASP A 94 85.269 17.937 -0.714 1.00 0.00 C ATOM 1507 OD1 ASP A 94 84.338 17.565 -0.019 1.00 0.00 O ATOM 1508 OD2 ASP A 94 85.241 18.934 -1.416 1.00 0.00 O ATOM 0 H ASP A 94 85.856 17.968 1.700 1.00 0.00 H new ATOM 0 HA ASP A 94 88.430 17.004 0.416 1.00 0.00 H new ATOM 0 HB2 ASP A 94 87.048 17.166 -1.673 1.00 0.00 H new ATOM 0 HB3 ASP A 94 86.312 16.049 -0.541 1.00 0.00 H new ATOM 1513 N CYS A 95 88.918 19.268 -0.655 1.00 0.00 N ATOM 1514 CA CYS A 95 89.354 20.664 -0.963 1.00 0.00 C ATOM 1515 C CYS A 95 89.054 21.002 -2.427 1.00 0.00 C ATOM 1516 O CYS A 95 88.245 21.864 -2.718 1.00 0.00 O ATOM 1517 CB CYS A 95 90.862 20.673 -0.705 1.00 0.00 C ATOM 1518 SG CYS A 95 91.170 20.534 1.073 1.00 0.00 S ATOM 0 H CYS A 95 89.452 18.537 -1.125 1.00 0.00 H new ATOM 0 HA CYS A 95 88.833 21.404 -0.356 1.00 0.00 H new ATOM 0 HB2 CYS A 95 91.337 19.846 -1.233 1.00 0.00 H new ATOM 0 HB3 CYS A 95 91.302 21.593 -1.091 1.00 0.00 H new ATOM 0 HG CYS A 95 92.183 19.745 1.278 1.00 0.00 H new ATOM 1524 N ASP A 96 89.702 20.326 -3.347 1.00 0.00 N ATOM 1525 CA ASP A 96 89.447 20.582 -4.798 1.00 0.00 C ATOM 1526 C ASP A 96 88.798 19.353 -5.443 1.00 0.00 C ATOM 1527 O ASP A 96 87.943 19.474 -6.302 1.00 0.00 O ATOM 1528 CB ASP A 96 90.827 20.839 -5.406 1.00 0.00 C ATOM 1529 CG ASP A 96 91.398 22.149 -4.854 1.00 0.00 C ATOM 1530 OD1 ASP A 96 92.580 22.173 -4.549 1.00 0.00 O ATOM 1531 OD2 ASP A 96 90.646 23.104 -4.748 1.00 0.00 O ATOM 0 H ASP A 96 90.398 19.606 -3.153 1.00 0.00 H new ATOM 0 HA ASP A 96 88.770 21.422 -4.956 1.00 0.00 H new ATOM 0 HB2 ASP A 96 91.498 20.012 -5.173 1.00 0.00 H new ATOM 0 HB3 ASP A 96 90.752 20.893 -6.492 1.00 0.00 H new ATOM 1536 N GLU A 97 89.200 18.174 -5.032 1.00 0.00 N ATOM 1537 CA GLU A 97 88.606 16.925 -5.601 1.00 0.00 C ATOM 1538 C GLU A 97 87.968 16.091 -4.487 1.00 0.00 C ATOM 1539 O GLU A 97 88.310 16.230 -3.327 1.00 0.00 O ATOM 1540 CB GLU A 97 89.782 16.173 -6.226 1.00 0.00 C ATOM 1541 CG GLU A 97 90.323 16.966 -7.421 1.00 0.00 C ATOM 1542 CD GLU A 97 91.440 16.172 -8.109 1.00 0.00 C ATOM 1543 OE1 GLU A 97 91.521 16.237 -9.324 1.00 0.00 O ATOM 1544 OE2 GLU A 97 92.199 15.520 -7.410 1.00 0.00 O ATOM 0 H GLU A 97 89.918 18.024 -4.323 1.00 0.00 H new ATOM 0 HA GLU A 97 87.824 17.135 -6.331 1.00 0.00 H new ATOM 0 HB2 GLU A 97 90.569 16.029 -5.486 1.00 0.00 H new ATOM 0 HB3 GLU A 97 89.463 15.182 -6.549 1.00 0.00 H new ATOM 0 HG2 GLU A 97 89.519 17.168 -8.129 1.00 0.00 H new ATOM 0 HG3 GLU A 97 90.703 17.931 -7.086 1.00 0.00 H new ATOM 1551 N GLU A 98 87.045 15.226 -4.833 1.00 0.00 N ATOM 1552 CA GLU A 98 86.368 14.384 -3.798 1.00 0.00 C ATOM 1553 C GLU A 98 87.138 13.077 -3.594 1.00 0.00 C ATOM 1554 O GLU A 98 87.361 12.327 -4.527 1.00 0.00 O ATOM 1555 CB GLU A 98 84.972 14.104 -4.356 1.00 0.00 C ATOM 1556 CG GLU A 98 84.171 15.407 -4.417 1.00 0.00 C ATOM 1557 CD GLU A 98 82.739 15.118 -4.881 1.00 0.00 C ATOM 1558 OE1 GLU A 98 81.836 15.774 -4.387 1.00 0.00 O ATOM 1559 OE2 GLU A 98 82.570 14.252 -5.724 1.00 0.00 O ATOM 0 H GLU A 98 86.731 15.067 -5.790 1.00 0.00 H new ATOM 0 HA GLU A 98 86.323 14.882 -2.829 1.00 0.00 H new ATOM 0 HB2 GLU A 98 85.049 13.666 -5.351 1.00 0.00 H new ATOM 0 HB3 GLU A 98 84.457 13.378 -3.727 1.00 0.00 H new ATOM 0 HG2 GLU A 98 84.156 15.881 -3.436 1.00 0.00 H new ATOM 0 HG3 GLU A 98 84.650 16.107 -5.102 1.00 0.00 H new ATOM 1566 N PHE A 99 87.543 12.802 -2.376 1.00 0.00 N ATOM 1567 CA PHE A 99 88.299 11.539 -2.097 1.00 0.00 C ATOM 1568 C PHE A 99 87.337 10.349 -2.046 1.00 0.00 C ATOM 1569 O PHE A 99 87.659 9.263 -2.490 1.00 0.00 O ATOM 1570 CB PHE A 99 88.959 11.757 -0.732 1.00 0.00 C ATOM 1571 CG PHE A 99 90.001 10.716 -0.396 1.00 0.00 C ATOM 1572 CD1 PHE A 99 89.661 9.610 0.420 1.00 0.00 C ATOM 1573 CD2 PHE A 99 91.320 10.847 -0.896 1.00 0.00 C ATOM 1574 CE1 PHE A 99 90.638 8.635 0.736 1.00 0.00 C ATOM 1575 CE2 PHE A 99 92.298 9.873 -0.581 1.00 0.00 C ATOM 1576 CZ PHE A 99 91.957 8.767 0.235 1.00 0.00 C ATOM 0 H PHE A 99 87.383 13.398 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 99 89.035 11.321 -2.871 1.00 0.00 H new ATOM 0 HB2 PHE A 99 89.423 12.743 -0.714 1.00 0.00 H new ATOM 0 HB3 PHE A 99 88.190 11.753 0.040 1.00 0.00 H new ATOM 0 HD1 PHE A 99 88.656 9.510 0.802 1.00 0.00 H new ATOM 0 HD2 PHE A 99 91.580 11.691 -1.518 1.00 0.00 H new ATOM 0 HE1 PHE A 99 90.378 7.791 1.358 1.00 0.00 H new ATOM 0 HE2 PHE A 99 93.303 9.973 -0.963 1.00 0.00 H new ATOM 0 HZ PHE A 99 92.703 8.024 0.476 1.00 0.00 H new ATOM 1586 N ASP A 100 86.154 10.550 -1.503 1.00 0.00 N ATOM 1587 CA ASP A 100 85.138 9.443 -1.409 1.00 0.00 C ATOM 1588 C ASP A 100 85.738 8.202 -0.729 1.00 0.00 C ATOM 1589 O ASP A 100 86.271 7.322 -1.381 1.00 0.00 O ATOM 1590 CB ASP A 100 84.735 9.129 -2.855 1.00 0.00 C ATOM 1591 CG ASP A 100 83.532 8.182 -2.859 1.00 0.00 C ATOM 1592 OD1 ASP A 100 83.745 6.987 -2.973 1.00 0.00 O ATOM 1593 OD2 ASP A 100 82.420 8.670 -2.748 1.00 0.00 O ATOM 0 H ASP A 100 85.846 11.442 -1.117 1.00 0.00 H new ATOM 0 HA ASP A 100 84.279 9.739 -0.807 1.00 0.00 H new ATOM 0 HB2 ASP A 100 84.487 10.050 -3.382 1.00 0.00 H new ATOM 0 HB3 ASP A 100 85.571 8.673 -3.385 1.00 0.00 H new ATOM 1598 N PHE A 101 85.652 8.132 0.578 1.00 0.00 N ATOM 1599 CA PHE A 101 86.193 6.948 1.313 1.00 0.00 C ATOM 1600 C PHE A 101 85.046 6.075 1.831 1.00 0.00 C ATOM 1601 O PHE A 101 84.114 6.562 2.444 1.00 0.00 O ATOM 1602 CB PHE A 101 86.987 7.538 2.480 1.00 0.00 C ATOM 1603 CG PHE A 101 87.688 6.497 3.322 1.00 0.00 C ATOM 1604 CD1 PHE A 101 87.159 6.135 4.584 1.00 0.00 C ATOM 1605 CD2 PHE A 101 88.872 5.882 2.847 1.00 0.00 C ATOM 1606 CE1 PHE A 101 87.815 5.158 5.374 1.00 0.00 C ATOM 1607 CE2 PHE A 101 89.528 4.906 3.636 1.00 0.00 C ATOM 1608 CZ PHE A 101 89.001 4.544 4.900 1.00 0.00 C ATOM 0 H PHE A 101 85.228 8.848 1.168 1.00 0.00 H new ATOM 0 HA PHE A 101 86.811 6.314 0.677 1.00 0.00 H new ATOM 0 HB2 PHE A 101 87.727 8.236 2.089 1.00 0.00 H new ATOM 0 HB3 PHE A 101 86.312 8.112 3.115 1.00 0.00 H new ATOM 0 HD1 PHE A 101 86.255 6.603 4.945 1.00 0.00 H new ATOM 0 HD2 PHE A 101 89.274 6.157 1.883 1.00 0.00 H new ATOM 0 HE1 PHE A 101 87.411 4.882 6.337 1.00 0.00 H new ATOM 0 HE2 PHE A 101 90.431 4.437 3.274 1.00 0.00 H new ATOM 0 HZ PHE A 101 89.503 3.801 5.502 1.00 0.00 H new ATOM 1618 N ALA A 102 85.111 4.789 1.584 1.00 0.00 N ATOM 1619 CA ALA A 102 84.040 3.867 2.072 1.00 0.00 C ATOM 1620 C ALA A 102 84.610 2.462 2.285 1.00 0.00 C ATOM 1621 O ALA A 102 85.530 2.049 1.601 1.00 0.00 O ATOM 1622 CB ALA A 102 82.989 3.858 0.963 1.00 0.00 C ATOM 0 H ALA A 102 85.863 4.338 1.063 1.00 0.00 H new ATOM 0 HA ALA A 102 83.621 4.188 3.026 1.00 0.00 H new ATOM 0 HB1 ALA A 102 82.166 3.201 1.247 1.00 0.00 H new ATOM 0 HB2 ALA A 102 82.611 4.869 0.812 1.00 0.00 H new ATOM 0 HB3 ALA A 102 83.439 3.497 0.038 1.00 0.00 H new ATOM 1628 N ALA A 103 84.069 1.728 3.227 1.00 0.00 N ATOM 1629 CA ALA A 103 84.565 0.342 3.486 1.00 0.00 C ATOM 1630 C ALA A 103 83.435 -0.531 4.040 1.00 0.00 C ATOM 1631 O ALA A 103 82.627 -0.083 4.833 1.00 0.00 O ATOM 1632 CB ALA A 103 85.674 0.508 4.526 1.00 0.00 C ATOM 0 H ALA A 103 83.303 2.031 3.829 1.00 0.00 H new ATOM 0 HA ALA A 103 84.925 -0.144 2.579 1.00 0.00 H new ATOM 0 HB1 ALA A 103 86.092 -0.468 4.771 1.00 0.00 H new ATOM 0 HB2 ALA A 103 86.459 1.148 4.122 1.00 0.00 H new ATOM 0 HB3 ALA A 103 85.263 0.963 5.427 1.00 0.00 H new ATOM 1638 N ASN A 104 83.378 -1.773 3.625 1.00 0.00 N ATOM 1639 CA ASN A 104 82.310 -2.693 4.126 1.00 0.00 C ATOM 1640 C ASN A 104 82.886 -4.092 4.362 1.00 0.00 C ATOM 1641 O ASN A 104 83.975 -4.404 3.914 1.00 0.00 O ATOM 1642 CB ASN A 104 81.261 -2.727 3.013 1.00 0.00 C ATOM 1643 CG ASN A 104 80.593 -1.356 2.894 1.00 0.00 C ATOM 1644 OD1 ASN A 104 80.338 -0.702 3.886 1.00 0.00 O ATOM 1645 ND2 ASN A 104 80.297 -0.888 1.711 1.00 0.00 N ATOM 0 H ASN A 104 84.028 -2.190 2.958 1.00 0.00 H new ATOM 0 HA ASN A 104 81.888 -2.358 5.074 1.00 0.00 H new ATOM 0 HB2 ASN A 104 81.729 -2.998 2.067 1.00 0.00 H new ATOM 0 HB3 ASN A 104 80.513 -3.490 3.228 1.00 0.00 H new ATOM 0 HD21 ASN A 104 79.852 0.025 1.621 1.00 0.00 H new ATOM 0 HD22 ASN A 104 80.511 -1.436 0.878 1.00 0.00 H new ATOM 1652 N LEU A 105 82.164 -4.932 5.063 1.00 0.00 N ATOM 1653 CA LEU A 105 82.652 -6.322 5.316 1.00 0.00 C ATOM 1654 C LEU A 105 82.040 -7.289 4.299 1.00 0.00 C ATOM 1655 O LEU A 105 80.868 -7.610 4.365 1.00 0.00 O ATOM 1656 CB LEU A 105 82.178 -6.660 6.731 1.00 0.00 C ATOM 1657 CG LEU A 105 83.039 -5.914 7.751 1.00 0.00 C ATOM 1658 CD1 LEU A 105 82.514 -4.488 7.921 1.00 0.00 C ATOM 1659 CD2 LEU A 105 82.980 -6.641 9.097 1.00 0.00 C ATOM 0 H LEU A 105 81.255 -4.713 5.472 1.00 0.00 H new ATOM 0 HA LEU A 105 83.735 -6.403 5.221 1.00 0.00 H new ATOM 0 HB2 LEU A 105 81.131 -6.382 6.851 1.00 0.00 H new ATOM 0 HB3 LEU A 105 82.244 -7.735 6.901 1.00 0.00 H new ATOM 0 HG LEU A 105 84.070 -5.881 7.398 1.00 0.00 H new ATOM 0 HD11 LEU A 105 83.129 -3.958 8.648 1.00 0.00 H new ATOM 0 HD12 LEU A 105 82.555 -3.968 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 105 81.483 -4.519 8.272 1.00 0.00 H new ATOM 0 HD21 LEU A 105 83.594 -6.110 9.825 1.00 0.00 H new ATOM 0 HD22 LEU A 105 81.948 -6.674 9.448 1.00 0.00 H new ATOM 0 HD23 LEU A 105 83.356 -7.657 8.978 1.00 0.00 H new ATOM 1671 N GLU A 106 82.830 -7.752 3.361 1.00 0.00 N ATOM 1672 CA GLU A 106 82.302 -8.691 2.320 1.00 0.00 C ATOM 1673 C GLU A 106 81.963 -10.047 2.948 1.00 0.00 C ATOM 1674 O GLU A 106 81.033 -10.715 2.532 1.00 0.00 O ATOM 1675 CB GLU A 106 83.432 -8.841 1.295 1.00 0.00 C ATOM 1676 CG GLU A 106 82.920 -9.611 0.074 1.00 0.00 C ATOM 1677 CD GLU A 106 84.080 -9.875 -0.890 1.00 0.00 C ATOM 1678 OE1 GLU A 106 85.146 -10.238 -0.420 1.00 0.00 O ATOM 1679 OE2 GLU A 106 83.880 -9.710 -2.082 1.00 0.00 O ATOM 0 H GLU A 106 83.819 -7.520 3.271 1.00 0.00 H new ATOM 0 HA GLU A 106 81.387 -8.316 1.861 1.00 0.00 H new ATOM 0 HB2 GLU A 106 83.795 -7.859 0.992 1.00 0.00 H new ATOM 0 HB3 GLU A 106 84.275 -9.368 1.742 1.00 0.00 H new ATOM 0 HG2 GLU A 106 82.473 -10.554 0.388 1.00 0.00 H new ATOM 0 HG3 GLU A 106 82.139 -9.039 -0.428 1.00 0.00 H new ATOM 1686 N LYS A 107 82.711 -10.455 3.947 1.00 0.00 N ATOM 1687 CA LYS A 107 82.469 -11.793 4.582 1.00 0.00 C ATOM 1688 C LYS A 107 81.080 -11.838 5.232 1.00 0.00 C ATOM 1689 O LYS A 107 80.373 -12.823 5.127 1.00 0.00 O ATOM 1690 CB LYS A 107 83.562 -11.942 5.647 1.00 0.00 C ATOM 1691 CG LYS A 107 83.554 -13.371 6.193 1.00 0.00 C ATOM 1692 CD LYS A 107 84.626 -13.510 7.276 1.00 0.00 C ATOM 1693 CE LYS A 107 84.711 -14.971 7.725 1.00 0.00 C ATOM 1694 NZ LYS A 107 86.061 -15.104 8.341 1.00 0.00 N ATOM 0 H LYS A 107 83.479 -9.919 4.351 1.00 0.00 H new ATOM 0 HA LYS A 107 82.502 -12.599 3.849 1.00 0.00 H new ATOM 0 HB2 LYS A 107 84.537 -11.712 5.217 1.00 0.00 H new ATOM 0 HB3 LYS A 107 83.395 -11.232 6.457 1.00 0.00 H new ATOM 0 HG2 LYS A 107 82.573 -13.609 6.605 1.00 0.00 H new ATOM 0 HG3 LYS A 107 83.742 -14.081 5.387 1.00 0.00 H new ATOM 0 HD2 LYS A 107 85.591 -13.180 6.892 1.00 0.00 H new ATOM 0 HD3 LYS A 107 84.385 -12.871 8.125 1.00 0.00 H new ATOM 0 HE2 LYS A 107 83.925 -15.211 8.441 1.00 0.00 H new ATOM 0 HE3 LYS A 107 84.593 -15.651 6.882 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 86.196 -16.080 8.674 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 86.789 -14.876 7.634 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 86.142 -14.449 9.145 1.00 0.00 H new ATOM 1708 N PHE A 108 80.691 -10.779 5.901 1.00 0.00 N ATOM 1709 CA PHE A 108 79.347 -10.750 6.557 1.00 0.00 C ATOM 1710 C PHE A 108 78.426 -9.763 5.834 1.00 0.00 C ATOM 1711 O PHE A 108 78.746 -8.597 5.688 1.00 0.00 O ATOM 1712 CB PHE A 108 79.615 -10.280 7.988 1.00 0.00 C ATOM 1713 CG PHE A 108 80.494 -11.222 8.777 1.00 0.00 C ATOM 1714 CD1 PHE A 108 81.862 -10.915 8.973 1.00 0.00 C ATOM 1715 CD2 PHE A 108 79.950 -12.412 9.319 1.00 0.00 C ATOM 1716 CE1 PHE A 108 82.687 -11.797 9.713 1.00 0.00 C ATOM 1717 CE2 PHE A 108 80.775 -13.294 10.059 1.00 0.00 C ATOM 1718 CZ PHE A 108 82.143 -12.986 10.256 1.00 0.00 C ATOM 0 H PHE A 108 81.248 -9.933 6.021 1.00 0.00 H new ATOM 0 HA PHE A 108 78.855 -11.722 6.531 1.00 0.00 H new ATOM 0 HB2 PHE A 108 80.085 -9.297 7.957 1.00 0.00 H new ATOM 0 HB3 PHE A 108 78.664 -10.162 8.507 1.00 0.00 H new ATOM 0 HD1 PHE A 108 82.277 -10.008 8.558 1.00 0.00 H new ATOM 0 HD2 PHE A 108 78.907 -12.647 9.168 1.00 0.00 H new ATOM 0 HE1 PHE A 108 83.731 -11.563 9.863 1.00 0.00 H new ATOM 0 HE2 PHE A 108 80.361 -14.201 10.473 1.00 0.00 H new ATOM 0 HZ PHE A 108 82.772 -13.658 10.821 1.00 0.00 H new ATOM 1728 N ASP A 109 77.285 -10.225 5.381 1.00 0.00 N ATOM 1729 CA ASP A 109 76.321 -9.314 4.685 1.00 0.00 C ATOM 1730 C ASP A 109 75.712 -8.328 5.686 1.00 0.00 C ATOM 1731 O ASP A 109 75.600 -7.146 5.415 1.00 0.00 O ATOM 1732 CB ASP A 109 75.237 -10.227 4.105 1.00 0.00 C ATOM 1733 CG ASP A 109 75.841 -11.124 3.021 1.00 0.00 C ATOM 1734 OD1 ASP A 109 75.501 -12.296 2.993 1.00 0.00 O ATOM 1735 OD2 ASP A 109 76.631 -10.625 2.236 1.00 0.00 O ATOM 0 H ASP A 109 76.979 -11.195 5.463 1.00 0.00 H new ATOM 0 HA ASP A 109 76.807 -8.725 3.907 1.00 0.00 H new ATOM 0 HB2 ASP A 109 74.802 -10.839 4.896 1.00 0.00 H new ATOM 0 HB3 ASP A 109 74.429 -9.627 3.685 1.00 0.00 H new ATOM 1740 N LYS A 110 75.318 -8.810 6.840 1.00 0.00 N ATOM 1741 CA LYS A 110 74.715 -7.912 7.873 1.00 0.00 C ATOM 1742 C LYS A 110 75.122 -8.368 9.281 1.00 0.00 C ATOM 1743 O LYS A 110 75.497 -9.508 9.486 1.00 0.00 O ATOM 1744 CB LYS A 110 73.194 -8.024 7.672 1.00 0.00 C ATOM 1745 CG LYS A 110 72.730 -9.475 7.866 1.00 0.00 C ATOM 1746 CD LYS A 110 71.239 -9.583 7.537 1.00 0.00 C ATOM 1747 CE LYS A 110 70.713 -10.945 7.992 1.00 0.00 C ATOM 1748 NZ LYS A 110 69.321 -11.015 7.465 1.00 0.00 N ATOM 0 H LYS A 110 75.389 -9.791 7.111 1.00 0.00 H new ATOM 0 HA LYS A 110 75.055 -6.882 7.771 1.00 0.00 H new ATOM 0 HB2 LYS A 110 72.679 -7.374 8.379 1.00 0.00 H new ATOM 0 HB3 LYS A 110 72.927 -7.682 6.672 1.00 0.00 H new ATOM 0 HG2 LYS A 110 73.304 -10.141 7.222 1.00 0.00 H new ATOM 0 HG3 LYS A 110 72.910 -9.791 8.893 1.00 0.00 H new ATOM 0 HD2 LYS A 110 70.688 -8.784 8.033 1.00 0.00 H new ATOM 0 HD3 LYS A 110 71.082 -9.460 6.465 1.00 0.00 H new ATOM 0 HE2 LYS A 110 71.325 -11.756 7.599 1.00 0.00 H new ATOM 0 HE3 LYS A 110 70.729 -11.032 9.078 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 68.892 -11.923 7.737 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 68.760 -10.234 7.862 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 69.338 -10.937 6.428 1.00 0.00 H new ATOM 1762 N LYS A 111 75.048 -7.483 10.246 1.00 0.00 N ATOM 1763 CA LYS A 111 75.414 -7.856 11.647 1.00 0.00 C ATOM 1764 C LYS A 111 74.169 -7.841 12.541 1.00 0.00 C ATOM 1765 O LYS A 111 73.428 -6.876 12.566 1.00 0.00 O ATOM 1766 CB LYS A 111 76.408 -6.784 12.098 1.00 0.00 C ATOM 1767 CG LYS A 111 77.702 -6.913 11.291 1.00 0.00 C ATOM 1768 CD LYS A 111 78.736 -5.916 11.821 1.00 0.00 C ATOM 1769 CE LYS A 111 79.989 -5.966 10.945 1.00 0.00 C ATOM 1770 NZ LYS A 111 80.731 -4.714 11.265 1.00 0.00 N ATOM 0 H LYS A 111 74.749 -6.516 10.122 1.00 0.00 H new ATOM 0 HA LYS A 111 75.839 -8.858 11.708 1.00 0.00 H new ATOM 0 HB2 LYS A 111 75.977 -5.792 11.958 1.00 0.00 H new ATOM 0 HB3 LYS A 111 76.618 -6.893 13.162 1.00 0.00 H new ATOM 0 HG2 LYS A 111 78.090 -7.929 11.365 1.00 0.00 H new ATOM 0 HG3 LYS A 111 77.506 -6.723 10.236 1.00 0.00 H new ATOM 0 HD2 LYS A 111 78.319 -4.909 11.821 1.00 0.00 H new ATOM 0 HD3 LYS A 111 78.991 -6.155 12.853 1.00 0.00 H new ATOM 0 HE2 LYS A 111 80.590 -6.848 11.165 1.00 0.00 H new ATOM 0 HE3 LYS A 111 79.730 -6.012 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 111 81.605 -4.675 10.702 1.00 0.00 H new ATOM 0 HZ2 LYS A 111 80.137 -3.891 11.039 1.00 0.00 H new ATOM 0 HZ3 LYS A 111 80.970 -4.701 12.277 1.00 0.00 H new ATOM 1784 N GLN A 112 73.941 -8.905 13.272 1.00 0.00 N ATOM 1785 CA GLN A 112 72.761 -8.960 14.188 1.00 0.00 C ATOM 1786 C GLN A 112 73.218 -9.261 15.619 1.00 0.00 C ATOM 1787 O GLN A 112 73.465 -10.400 15.971 1.00 0.00 O ATOM 1788 CB GLN A 112 71.896 -10.101 13.650 1.00 0.00 C ATOM 1789 CG GLN A 112 70.548 -10.109 14.375 1.00 0.00 C ATOM 1790 CD GLN A 112 69.698 -8.935 13.886 1.00 0.00 C ATOM 1791 OE1 GLN A 112 69.334 -8.874 12.729 1.00 0.00 O ATOM 1792 NE2 GLN A 112 69.361 -7.994 14.726 1.00 0.00 N ATOM 0 H GLN A 112 74.525 -9.741 13.273 1.00 0.00 H new ATOM 0 HA GLN A 112 72.217 -8.016 14.220 1.00 0.00 H new ATOM 0 HB2 GLN A 112 71.743 -9.980 12.578 1.00 0.00 H new ATOM 0 HB3 GLN A 112 72.404 -11.055 13.794 1.00 0.00 H new ATOM 0 HG2 GLN A 112 70.029 -11.049 14.190 1.00 0.00 H new ATOM 0 HG3 GLN A 112 70.702 -10.037 15.452 1.00 0.00 H new ATOM 0 HE21 GLN A 112 69.666 -8.045 15.698 1.00 0.00 H new ATOM 0 HE22 GLN A 112 68.792 -7.208 14.410 1.00 0.00 H new ATOM 1801 N VAL A 113 73.332 -8.245 16.441 1.00 0.00 N ATOM 1802 CA VAL A 113 73.785 -8.457 17.852 1.00 0.00 C ATOM 1803 C VAL A 113 72.844 -7.722 18.816 1.00 0.00 C ATOM 1804 O VAL A 113 72.470 -6.587 18.584 1.00 0.00 O ATOM 1805 CB VAL A 113 75.205 -7.868 17.919 1.00 0.00 C ATOM 1806 CG1 VAL A 113 75.784 -8.060 19.324 1.00 0.00 C ATOM 1807 CG2 VAL A 113 76.111 -8.580 16.907 1.00 0.00 C ATOM 0 H VAL A 113 73.130 -7.276 16.195 1.00 0.00 H new ATOM 0 HA VAL A 113 73.778 -9.509 18.136 1.00 0.00 H new ATOM 0 HB VAL A 113 75.155 -6.805 17.685 1.00 0.00 H new ATOM 0 HG11 VAL A 113 76.789 -7.641 19.364 1.00 0.00 H new ATOM 0 HG12 VAL A 113 75.150 -7.553 20.051 1.00 0.00 H new ATOM 0 HG13 VAL A 113 75.825 -9.124 19.558 1.00 0.00 H new ATOM 0 HG21 VAL A 113 77.115 -8.159 16.959 1.00 0.00 H new ATOM 0 HG22 VAL A 113 76.151 -9.644 17.140 1.00 0.00 H new ATOM 0 HG23 VAL A 113 75.712 -8.444 15.902 1.00 0.00 H new ATOM 1817 N PHE A 114 72.462 -8.367 19.892 1.00 0.00 N ATOM 1818 CA PHE A 114 71.573 -7.707 20.896 1.00 0.00 C ATOM 1819 C PHE A 114 72.392 -7.258 22.111 1.00 0.00 C ATOM 1820 O PHE A 114 73.150 -8.027 22.673 1.00 0.00 O ATOM 1821 CB PHE A 114 70.563 -8.782 21.298 1.00 0.00 C ATOM 1822 CG PHE A 114 69.500 -8.285 22.250 1.00 0.00 C ATOM 1823 CD1 PHE A 114 69.648 -8.487 23.644 1.00 0.00 C ATOM 1824 CD2 PHE A 114 68.356 -7.617 21.748 1.00 0.00 C ATOM 1825 CE1 PHE A 114 68.652 -8.020 24.536 1.00 0.00 C ATOM 1826 CE2 PHE A 114 67.361 -7.150 22.641 1.00 0.00 C ATOM 1827 CZ PHE A 114 67.508 -7.352 24.035 1.00 0.00 C ATOM 0 H PHE A 114 72.729 -9.325 20.118 1.00 0.00 H new ATOM 0 HA PHE A 114 71.084 -6.819 20.496 1.00 0.00 H new ATOM 0 HB2 PHE A 114 70.082 -9.171 20.401 1.00 0.00 H new ATOM 0 HB3 PHE A 114 71.094 -9.613 21.761 1.00 0.00 H new ATOM 0 HD1 PHE A 114 70.520 -8.997 24.027 1.00 0.00 H new ATOM 0 HD2 PHE A 114 68.243 -7.464 20.685 1.00 0.00 H new ATOM 0 HE1 PHE A 114 68.765 -8.173 25.599 1.00 0.00 H new ATOM 0 HE2 PHE A 114 66.489 -6.639 22.259 1.00 0.00 H new ATOM 0 HZ PHE A 114 66.748 -6.997 24.716 1.00 0.00 H new ATOM 1837 N ALA A 115 72.242 -6.020 22.515 1.00 0.00 N ATOM 1838 CA ALA A 115 73.019 -5.505 23.683 1.00 0.00 C ATOM 1839 C ALA A 115 72.113 -5.382 24.913 1.00 0.00 C ATOM 1840 O ALA A 115 72.294 -6.080 25.895 1.00 0.00 O ATOM 1841 CB ALA A 115 73.525 -4.129 23.247 1.00 0.00 C ATOM 0 H ALA A 115 71.613 -5.343 22.084 1.00 0.00 H new ATOM 0 HA ALA A 115 73.837 -6.171 23.960 1.00 0.00 H new ATOM 0 HB1 ALA A 115 74.107 -3.683 24.053 1.00 0.00 H new ATOM 0 HB2 ALA A 115 74.153 -4.236 22.362 1.00 0.00 H new ATOM 0 HB3 ALA A 115 72.676 -3.486 23.014 1.00 0.00 H new ATOM 1847 N GLU A 116 71.142 -4.502 24.863 1.00 0.00 N ATOM 1848 CA GLU A 116 70.228 -4.312 26.032 1.00 0.00 C ATOM 1849 C GLU A 116 68.768 -4.321 25.573 1.00 0.00 C ATOM 1850 O GLU A 116 68.477 -4.140 24.405 1.00 0.00 O ATOM 1851 CB GLU A 116 70.600 -2.944 26.610 1.00 0.00 C ATOM 1852 CG GLU A 116 72.017 -2.996 27.186 1.00 0.00 C ATOM 1853 CD GLU A 116 72.361 -1.652 27.832 1.00 0.00 C ATOM 1854 OE1 GLU A 116 71.502 -1.097 28.497 1.00 0.00 O ATOM 1855 OE2 GLU A 116 73.480 -1.199 27.650 1.00 0.00 O ATOM 0 H GLU A 116 70.943 -3.905 24.060 1.00 0.00 H new ATOM 0 HA GLU A 116 70.333 -5.108 26.769 1.00 0.00 H new ATOM 0 HB2 GLU A 116 70.541 -2.182 25.833 1.00 0.00 H new ATOM 0 HB3 GLU A 116 69.891 -2.662 27.388 1.00 0.00 H new ATOM 0 HG2 GLU A 116 72.091 -3.795 27.924 1.00 0.00 H new ATOM 0 HG3 GLU A 116 72.733 -3.225 26.396 1.00 0.00 H new ATOM 1862 N PHE A 117 67.852 -4.532 26.487 1.00 0.00 N ATOM 1863 CA PHE A 117 66.402 -4.538 26.123 1.00 0.00 C ATOM 1864 C PHE A 117 65.771 -3.181 26.448 1.00 0.00 C ATOM 1865 O PHE A 117 66.019 -2.610 27.495 1.00 0.00 O ATOM 1866 CB PHE A 117 65.782 -5.638 26.986 1.00 0.00 C ATOM 1867 CG PHE A 117 64.325 -5.894 26.679 1.00 0.00 C ATOM 1868 CD1 PHE A 117 63.318 -5.243 27.433 1.00 0.00 C ATOM 1869 CD2 PHE A 117 63.966 -6.786 25.639 1.00 0.00 C ATOM 1870 CE1 PHE A 117 61.952 -5.484 27.146 1.00 0.00 C ATOM 1871 CE2 PHE A 117 62.601 -7.026 25.351 1.00 0.00 C ATOM 1872 CZ PHE A 117 61.594 -6.375 26.106 1.00 0.00 C ATOM 0 H PHE A 117 68.048 -4.701 27.474 1.00 0.00 H new ATOM 0 HA PHE A 117 66.243 -4.716 25.059 1.00 0.00 H new ATOM 0 HB2 PHE A 117 66.343 -6.561 26.843 1.00 0.00 H new ATOM 0 HB3 PHE A 117 65.881 -5.364 28.036 1.00 0.00 H new ATOM 0 HD1 PHE A 117 63.592 -4.563 28.226 1.00 0.00 H new ATOM 0 HD2 PHE A 117 64.734 -7.283 25.065 1.00 0.00 H new ATOM 0 HE1 PHE A 117 61.184 -4.988 27.721 1.00 0.00 H new ATOM 0 HE2 PHE A 117 62.327 -7.705 24.557 1.00 0.00 H new ATOM 0 HZ PHE A 117 60.552 -6.559 25.888 1.00 0.00 H new ATOM 1882 N ARG A 118 64.960 -2.666 25.558 1.00 0.00 N ATOM 1883 CA ARG A 118 64.321 -1.334 25.795 1.00 0.00 C ATOM 1884 C ARG A 118 62.972 -1.511 26.497 1.00 0.00 C ATOM 1885 O ARG A 118 62.229 -2.432 26.205 1.00 0.00 O ATOM 1886 CB ARG A 118 64.127 -0.727 24.403 1.00 0.00 C ATOM 1887 CG ARG A 118 65.493 -0.420 23.784 1.00 0.00 C ATOM 1888 CD ARG A 118 65.299 0.223 22.407 1.00 0.00 C ATOM 1889 NE ARG A 118 64.728 1.582 22.678 1.00 0.00 N ATOM 1890 CZ ARG A 118 64.139 2.283 21.728 1.00 0.00 C ATOM 1891 NH1 ARG A 118 64.032 1.827 20.500 1.00 0.00 N ATOM 1892 NH2 ARG A 118 63.655 3.461 22.013 1.00 0.00 N ATOM 0 H ARG A 118 64.712 -3.112 24.675 1.00 0.00 H new ATOM 0 HA ARG A 118 64.930 -0.695 26.434 1.00 0.00 H new ATOM 0 HB2 ARG A 118 63.575 -1.419 23.767 1.00 0.00 H new ATOM 0 HB3 ARG A 118 63.534 0.185 24.472 1.00 0.00 H new ATOM 0 HG2 ARG A 118 66.056 0.250 24.434 1.00 0.00 H new ATOM 0 HG3 ARG A 118 66.075 -1.337 23.690 1.00 0.00 H new ATOM 0 HD2 ARG A 118 66.245 0.294 21.870 1.00 0.00 H new ATOM 0 HD3 ARG A 118 64.625 -0.370 21.788 1.00 0.00 H new ATOM 0 HE ARG A 118 64.796 1.974 23.617 1.00 0.00 H new ATOM 0 HH11 ARG A 118 64.409 0.910 20.262 1.00 0.00 H new ATOM 0 HH12 ARG A 118 63.572 2.390 19.785 1.00 0.00 H new ATOM 0 HH21 ARG A 118 63.735 3.829 22.961 1.00 0.00 H new ATOM 0 HH22 ARG A 118 63.197 4.013 21.288 1.00 0.00 H new ATOM 1906 N GLU A 119 62.653 -0.634 27.418 1.00 0.00 N ATOM 1907 CA GLU A 119 61.355 -0.742 28.156 1.00 0.00 C ATOM 1908 C GLU A 119 60.513 0.517 27.932 1.00 0.00 C ATOM 1909 O GLU A 119 61.012 1.535 27.491 1.00 0.00 O ATOM 1910 CB GLU A 119 61.745 -0.870 29.630 1.00 0.00 C ATOM 1911 CG GLU A 119 62.472 -2.197 29.858 1.00 0.00 C ATOM 1912 CD GLU A 119 62.786 -2.359 31.346 1.00 0.00 C ATOM 1913 OE1 GLU A 119 62.104 -3.137 31.993 1.00 0.00 O ATOM 1914 OE2 GLU A 119 63.702 -1.703 31.813 1.00 0.00 O ATOM 0 H GLU A 119 63.238 0.155 27.691 1.00 0.00 H new ATOM 0 HA GLU A 119 60.758 -1.589 27.818 1.00 0.00 H new ATOM 0 HB2 GLU A 119 62.387 -0.038 29.920 1.00 0.00 H new ATOM 0 HB3 GLU A 119 60.855 -0.819 30.257 1.00 0.00 H new ATOM 0 HG2 GLU A 119 61.854 -3.026 29.514 1.00 0.00 H new ATOM 0 HG3 GLU A 119 63.393 -2.223 29.276 1.00 0.00 H new ATOM 1921 N LYS A 120 59.238 0.449 28.233 1.00 0.00 N ATOM 1922 CA LYS A 120 58.348 1.638 28.044 1.00 0.00 C ATOM 1923 C LYS A 120 57.491 1.867 29.296 1.00 0.00 C ATOM 1924 O LYS A 120 57.355 0.994 30.131 1.00 0.00 O ATOM 1925 CB LYS A 120 57.472 1.302 26.824 1.00 0.00 C ATOM 1926 CG LYS A 120 56.634 0.043 27.092 1.00 0.00 C ATOM 1927 CD LYS A 120 55.847 -0.323 25.833 1.00 0.00 C ATOM 1928 CE LYS A 120 54.793 -1.378 26.178 1.00 0.00 C ATOM 1929 NZ LYS A 120 55.537 -2.668 26.211 1.00 0.00 N ATOM 0 H LYS A 120 58.774 -0.381 28.602 1.00 0.00 H new ATOM 0 HA LYS A 120 58.915 2.555 27.885 1.00 0.00 H new ATOM 0 HB2 LYS A 120 56.815 2.142 26.599 1.00 0.00 H new ATOM 0 HB3 LYS A 120 58.102 1.147 25.948 1.00 0.00 H new ATOM 0 HG2 LYS A 120 57.283 -0.784 27.381 1.00 0.00 H new ATOM 0 HG3 LYS A 120 55.951 0.218 27.923 1.00 0.00 H new ATOM 0 HD2 LYS A 120 55.367 0.564 25.421 1.00 0.00 H new ATOM 0 HD3 LYS A 120 56.522 -0.705 25.067 1.00 0.00 H new ATOM 0 HE2 LYS A 120 54.324 -1.168 27.139 1.00 0.00 H new ATOM 0 HE3 LYS A 120 53.998 -1.400 25.433 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 54.873 -3.447 26.391 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 56.009 -2.820 25.297 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 56.250 -2.639 26.968 1.00 0.00 H new ATOM 1943 N ASP A 121 56.912 3.044 29.425 1.00 0.00 N ATOM 1944 CA ASP A 121 56.064 3.373 30.626 1.00 0.00 C ATOM 1945 C ASP A 121 56.847 3.145 31.929 1.00 0.00 C ATOM 1946 O ASP A 121 57.408 4.105 32.433 1.00 0.00 O ATOM 1947 CB ASP A 121 54.850 2.436 30.546 1.00 0.00 C ATOM 1948 CG ASP A 121 53.806 2.860 31.582 1.00 0.00 C ATOM 1949 OD1 ASP A 121 53.568 4.050 31.703 1.00 0.00 O ATOM 1950 OD2 ASP A 121 53.261 1.986 32.236 1.00 0.00 O ATOM 1951 OXT ASP A 121 56.871 2.019 32.400 1.00 0.00 O ATOM 0 H ASP A 121 56.991 3.798 28.743 1.00 0.00 H new ATOM 0 HA ASP A 121 55.762 4.420 30.628 1.00 0.00 H new ATOM 0 HB2 ASP A 121 54.418 2.468 29.546 1.00 0.00 H new ATOM 0 HB3 ASP A 121 55.160 1.407 30.727 1.00 0.00 H new TER 1956 ASP A 121