USER MOD reduce.3.24.130724 H: found=0, std=0, add=974, rem=0, adj=30 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 7 TYR OH : rot 13:sc= 0.748 USER MOD Set 1.2: A 27 ASN : amide:sc=-0.000846 X(o=0.71,f=0.66) USER MOD Set 1.3: A 36 GLN : amide:sc= -0.0343 X(o=0.71,f=0.66) USER MOD Set 2.1: A 17 ASN : amide:sc= 0.369 K(o=1.5,f=-7!) USER MOD Set 2.2: A 19 SER OG : rot -97:sc= 1.13 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot -106:sc= 0.366 USER MOD Single : A -1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A -3 GLY N :NH3+ -115:sc= 0.149 (180deg=0) USER MOD Single : A 10 ASN : amide:sc= -0.366 K(o=-0.37,f=-3.8!) USER MOD Single : A 16 ASN : amide:sc= -1.25 K(o=-1.3,f=-4.5!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 THR OG1 : rot -60:sc=-0.00315 USER MOD Single : A 30 SER OG : rot 180:sc= 0 USER MOD Single : A 31 SER OG : rot 180:sc= 0.00738 USER MOD Single : A 32 ASN : amide:sc= 0 K(o=0,f=-0.74) USER MOD Single : A 33 SER OG : rot 180:sc= 0 USER MOD Single : A 41 ASN : amide:sc= -0.0641 X(o=-0.064,f=-0.29) USER MOD Single : A 43 SER OG : rot 68:sc= 0.042 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 18:sc= 0.971! USER MOD Single : A 49 THR OG1 : rot -82:sc= 0.039 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 60 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 ASN : amide:sc= -0.254 X(o=-0.25,f=-0.25) USER MOD Single : A 64 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ 170:sc= -0.81 (180deg=-1.07) USER MOD Single : A 67 ASN : amide:sc= 0 K(o=0,f=-0.69) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0.00351 USER MOD Single : A 70 LYS NZ :NH3+ -139:sc= 0 (180deg=-0.0855) USER MOD Single : A 71 SER OG : rot 180:sc= 0 USER MOD Single : A 73 SER OG : rot 180:sc= -0.682 USER MOD Single : A 74 THR OG1 : rot 180:sc= -0.0244 USER MOD Single : A 75 ASN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 76 SER OG : rot -110:sc= -0.886 USER MOD Single : A 77 THR OG1 : rot 180:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 SER OG : rot 180:sc= -0.0141 USER MOD Single : A 84 THR OG1 : rot 180:sc= -0.514 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 1:sc= 1.8 USER MOD Single : A 88 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 89 ASN : amide:sc= -0.0774 X(o=-0.077,f=0) USER MOD Single : A 90 LYS NZ :NH3+ 156:sc=-0.00317 (180deg=-0.24) USER MOD Single : A 92 SER OG : rot -160:sc= 0 USER MOD Single : A 93 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 CYS SG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ -136:sc= 0 (180deg=-0.118) USER MOD Single : A 111 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 GLN : amide:sc= -0.0361 X(o=-0.036,f=-0.42) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A -3 115.389 18.816 -11.382 1.00 9.69 N ATOM 2 CA GLY A -3 116.706 18.563 -10.731 1.00 8.93 C ATOM 3 C GLY A -3 116.685 17.194 -10.048 1.00 7.96 C ATOM 4 O GLY A -3 115.714 16.465 -10.137 1.00 7.82 O ATOM 0 H1 GLY A -3 115.515 18.866 -12.413 1.00 9.69 H new ATOM 0 H2 GLY A -3 114.733 18.043 -11.150 1.00 9.69 H new ATOM 0 H3 GLY A -3 114.999 19.716 -11.037 1.00 9.69 H new ATOM 0 HA2 GLY A -3 117.503 18.598 -11.474 1.00 8.93 H new ATOM 0 HA3 GLY A -3 116.917 19.343 -9.999 1.00 8.93 H new ATOM 10 N ALA A -2 117.750 16.845 -9.368 1.00 7.55 N ATOM 11 CA ALA A -2 117.805 15.523 -8.672 1.00 6.85 C ATOM 12 C ALA A -2 117.551 15.702 -7.173 1.00 6.04 C ATOM 13 O ALA A -2 118.043 16.633 -6.561 1.00 6.22 O ATOM 14 CB ALA A -2 119.223 15.006 -8.918 1.00 7.12 C ATOM 0 H ALA A -2 118.585 17.421 -9.265 1.00 7.55 H new ATOM 0 HA ALA A -2 117.048 14.830 -9.040 1.00 6.85 H new ATOM 0 HB1 ALA A -2 119.345 14.035 -8.437 1.00 7.12 H new ATOM 0 HB2 ALA A -2 119.392 14.904 -9.990 1.00 7.12 H new ATOM 0 HB3 ALA A -2 119.944 15.710 -8.502 1.00 7.12 H new ATOM 20 N MET A -1 116.786 14.816 -6.582 1.00 5.52 N ATOM 21 CA MET A -1 116.495 14.917 -5.119 1.00 5.13 C ATOM 22 C MET A -1 116.664 13.550 -4.451 1.00 3.99 C ATOM 23 O MET A -1 116.480 12.521 -5.075 1.00 4.13 O ATOM 24 CB MET A -1 115.038 15.378 -5.038 1.00 5.69 C ATOM 25 CG MET A -1 114.696 15.740 -3.591 1.00 6.76 C ATOM 26 SD MET A -1 112.938 16.155 -3.473 1.00 7.78 S ATOM 27 CE MET A -1 112.924 16.586 -1.716 1.00 8.13 C ATOM 0 H MET A -1 116.349 14.024 -7.053 1.00 5.52 H new ATOM 0 HA MET A -1 117.170 15.604 -4.609 1.00 5.13 H new ATOM 0 HB2 MET A -1 114.882 16.240 -5.686 1.00 5.69 H new ATOM 0 HB3 MET A -1 114.376 14.588 -5.393 1.00 5.69 H new ATOM 0 HG2 MET A -1 114.929 14.904 -2.931 1.00 6.76 H new ATOM 0 HG3 MET A -1 115.303 16.584 -3.263 1.00 6.76 H new ATOM 0 HE1 MET A -1 111.916 16.879 -1.421 1.00 8.13 H new ATOM 0 HE2 MET A -1 113.238 15.724 -1.127 1.00 8.13 H new ATOM 0 HE3 MET A -1 113.609 17.415 -1.539 1.00 8.13 H new ATOM 37 N GLY A 0 117.015 13.536 -3.188 1.00 3.28 N ATOM 38 CA GLY A 0 117.192 12.240 -2.463 1.00 2.49 C ATOM 39 C GLY A 0 115.828 11.575 -2.264 1.00 2.19 C ATOM 40 O GLY A 0 114.859 12.224 -1.917 1.00 2.52 O ATOM 0 H GLY A 0 117.187 14.370 -2.627 1.00 3.28 H new ATOM 0 HA2 GLY A 0 117.850 11.581 -3.030 1.00 2.49 H new ATOM 0 HA3 GLY A 0 117.668 12.413 -1.498 1.00 2.49 H new ATOM 44 N MET A 1 115.750 10.284 -2.481 1.00 1.85 N ATOM 45 CA MET A 1 114.449 9.564 -2.325 1.00 1.61 C ATOM 46 C MET A 1 114.615 8.364 -1.388 1.00 1.47 C ATOM 47 O MET A 1 115.710 7.874 -1.184 1.00 1.59 O ATOM 48 CB MET A 1 114.083 9.096 -3.735 1.00 1.77 C ATOM 49 CG MET A 1 113.764 10.308 -4.611 1.00 2.05 C ATOM 50 SD MET A 1 113.198 9.747 -6.235 1.00 2.71 S ATOM 51 CE MET A 1 113.050 11.380 -7.000 1.00 3.22 C ATOM 0 H MET A 1 116.536 9.697 -2.761 1.00 1.85 H new ATOM 0 HA MET A 1 113.676 10.199 -1.892 1.00 1.61 H new ATOM 0 HB2 MET A 1 114.908 8.530 -4.167 1.00 1.77 H new ATOM 0 HB3 MET A 1 113.223 8.427 -3.695 1.00 1.77 H new ATOM 0 HG2 MET A 1 112.996 10.920 -4.138 1.00 2.05 H new ATOM 0 HG3 MET A 1 114.649 10.935 -4.719 1.00 2.05 H new ATOM 0 HE1 MET A 1 112.707 11.270 -8.029 1.00 3.22 H new ATOM 0 HE2 MET A 1 112.333 11.980 -6.440 1.00 3.22 H new ATOM 0 HE3 MET A 1 114.021 11.875 -6.992 1.00 3.22 H new ATOM 61 N SER A 2 113.532 7.893 -0.819 1.00 1.27 N ATOM 62 CA SER A 2 113.604 6.720 0.105 1.00 1.18 C ATOM 63 C SER A 2 112.722 5.582 -0.417 1.00 1.04 C ATOM 64 O SER A 2 111.808 5.803 -1.191 1.00 0.95 O ATOM 65 CB SER A 2 113.076 7.236 1.442 1.00 1.14 C ATOM 66 OG SER A 2 113.879 8.325 1.876 1.00 1.30 O ATOM 0 H SER A 2 112.596 8.274 -0.956 1.00 1.27 H new ATOM 0 HA SER A 2 114.616 6.324 0.192 1.00 1.18 H new ATOM 0 HB2 SER A 2 112.038 7.553 1.338 1.00 1.14 H new ATOM 0 HB3 SER A 2 113.093 6.438 2.185 1.00 1.14 H new ATOM 0 HG SER A 2 113.541 8.659 2.733 1.00 1.30 H new ATOM 72 N VAL A 3 112.992 4.368 0.001 1.00 1.05 N ATOM 73 CA VAL A 3 112.176 3.197 -0.473 1.00 0.96 C ATOM 74 C VAL A 3 110.721 3.344 -0.002 1.00 0.79 C ATOM 75 O VAL A 3 109.800 2.921 -0.674 1.00 0.70 O ATOM 76 CB VAL A 3 112.830 1.952 0.153 1.00 1.09 C ATOM 77 CG1 VAL A 3 112.077 0.691 -0.286 1.00 1.08 C ATOM 78 CG2 VAL A 3 114.288 1.847 -0.308 1.00 1.28 C ATOM 0 H VAL A 3 113.743 4.134 0.651 1.00 1.05 H new ATOM 0 HA VAL A 3 112.154 3.128 -1.561 1.00 0.96 H new ATOM 0 HB VAL A 3 112.792 2.042 1.239 1.00 1.09 H new ATOM 0 HG11 VAL A 3 112.545 -0.186 0.161 1.00 1.08 H new ATOM 0 HG12 VAL A 3 111.039 0.755 0.041 1.00 1.08 H new ATOM 0 HG13 VAL A 3 112.111 0.607 -1.372 1.00 1.08 H new ATOM 0 HG21 VAL A 3 114.748 0.965 0.137 1.00 1.28 H new ATOM 0 HG22 VAL A 3 114.321 1.764 -1.394 1.00 1.28 H new ATOM 0 HG23 VAL A 3 114.834 2.737 0.005 1.00 1.28 H new ATOM 88 N ALA A 4 110.516 3.942 1.148 1.00 0.77 N ATOM 89 CA ALA A 4 109.121 4.133 1.671 1.00 0.67 C ATOM 90 C ALA A 4 108.304 5.014 0.715 1.00 0.60 C ATOM 91 O ALA A 4 107.099 4.876 0.613 1.00 0.55 O ATOM 92 CB ALA A 4 109.284 4.826 3.026 1.00 0.76 C ATOM 0 H ALA A 4 111.255 4.307 1.749 1.00 0.77 H new ATOM 0 HA ALA A 4 108.591 3.185 1.761 1.00 0.67 H new ATOM 0 HB1 ALA A 4 108.302 4.997 3.467 1.00 0.76 H new ATOM 0 HB2 ALA A 4 109.875 4.194 3.689 1.00 0.76 H new ATOM 0 HB3 ALA A 4 109.791 5.781 2.888 1.00 0.76 H new ATOM 98 N ASP A 5 108.954 5.916 0.017 1.00 0.66 N ATOM 99 CA ASP A 5 108.227 6.791 -0.962 1.00 0.67 C ATOM 100 C ASP A 5 107.637 5.945 -2.096 1.00 0.58 C ATOM 101 O ASP A 5 106.537 6.190 -2.555 1.00 0.56 O ATOM 102 CB ASP A 5 109.281 7.759 -1.511 1.00 0.83 C ATOM 103 CG ASP A 5 109.772 8.679 -0.390 1.00 0.94 C ATOM 104 OD1 ASP A 5 108.944 9.135 0.383 1.00 1.52 O ATOM 105 OD2 ASP A 5 110.967 8.912 -0.323 1.00 1.34 O ATOM 0 H ASP A 5 109.958 6.085 0.082 1.00 0.66 H new ATOM 0 HA ASP A 5 107.398 7.321 -0.493 1.00 0.67 H new ATOM 0 HB2 ASP A 5 110.119 7.201 -1.929 1.00 0.83 H new ATOM 0 HB3 ASP A 5 108.857 8.352 -2.321 1.00 0.83 H new ATOM 110 N PHE A 6 108.366 4.951 -2.548 1.00 0.58 N ATOM 111 CA PHE A 6 107.837 4.054 -3.626 1.00 0.55 C ATOM 112 C PHE A 6 106.687 3.200 -3.082 1.00 0.46 C ATOM 113 O PHE A 6 105.721 2.934 -3.773 1.00 0.43 O ATOM 114 CB PHE A 6 109.015 3.167 -4.037 1.00 0.67 C ATOM 115 CG PHE A 6 110.140 3.928 -4.699 1.00 0.77 C ATOM 116 CD1 PHE A 6 111.186 4.468 -3.915 1.00 0.85 C ATOM 117 CD2 PHE A 6 110.146 4.101 -6.106 1.00 0.80 C ATOM 118 CE1 PHE A 6 112.240 5.182 -4.535 1.00 0.95 C ATOM 119 CE2 PHE A 6 111.199 4.815 -6.726 1.00 0.90 C ATOM 120 CZ PHE A 6 112.247 5.356 -5.941 1.00 0.97 C ATOM 0 H PHE A 6 109.303 4.722 -2.217 1.00 0.58 H new ATOM 0 HA PHE A 6 107.446 4.619 -4.472 1.00 0.55 H new ATOM 0 HB2 PHE A 6 109.402 2.658 -3.154 1.00 0.67 H new ATOM 0 HB3 PHE A 6 108.658 2.395 -4.719 1.00 0.67 H new ATOM 0 HD1 PHE A 6 111.181 4.336 -2.843 1.00 0.85 H new ATOM 0 HD2 PHE A 6 109.347 3.688 -6.705 1.00 0.80 H new ATOM 0 HE1 PHE A 6 113.039 5.594 -3.936 1.00 0.95 H new ATOM 0 HE2 PHE A 6 111.204 4.947 -7.798 1.00 0.90 H new ATOM 0 HZ PHE A 6 113.051 5.901 -6.414 1.00 0.97 H new ATOM 130 N TYR A 7 106.790 2.774 -1.846 1.00 0.45 N ATOM 131 CA TYR A 7 105.684 1.975 -1.224 1.00 0.43 C ATOM 132 C TYR A 7 104.444 2.858 -1.032 1.00 0.35 C ATOM 133 O TYR A 7 104.513 3.914 -0.430 1.00 0.35 O ATOM 134 CB TYR A 7 106.236 1.518 0.133 1.00 0.47 C ATOM 135 CG TYR A 7 105.601 0.256 0.682 1.00 0.33 C ATOM 136 CD1 TYR A 7 104.194 0.082 0.645 1.00 0.71 C ATOM 137 CD2 TYR A 7 106.420 -0.747 1.260 1.00 0.79 C ATOM 138 CE1 TYR A 7 103.610 -1.089 1.184 1.00 1.02 C ATOM 139 CE2 TYR A 7 105.833 -1.921 1.793 1.00 1.10 C ATOM 140 CZ TYR A 7 104.431 -2.091 1.757 1.00 1.10 C ATOM 141 OH TYR A 7 103.864 -3.229 2.292 1.00 1.55 O ATOM 0 H TYR A 7 107.592 2.945 -1.240 1.00 0.45 H new ATOM 0 HA TYR A 7 105.383 1.130 -1.844 1.00 0.43 H new ATOM 0 HB2 TYR A 7 107.310 1.356 0.037 1.00 0.47 H new ATOM 0 HB3 TYR A 7 106.098 2.322 0.856 1.00 0.47 H new ATOM 0 HD1 TYR A 7 103.568 0.844 0.205 1.00 0.71 H new ATOM 0 HD2 TYR A 7 107.491 -0.616 1.294 1.00 0.79 H new ATOM 0 HE1 TYR A 7 102.538 -1.219 1.158 1.00 1.02 H new ATOM 0 HE2 TYR A 7 106.458 -2.687 2.227 1.00 1.10 H new ATOM 0 HH TYR A 7 102.925 -3.287 2.018 1.00 1.55 H new ATOM 151 N GLY A 8 103.314 2.430 -1.542 1.00 0.34 N ATOM 152 CA GLY A 8 102.060 3.234 -1.405 1.00 0.32 C ATOM 153 C GLY A 8 101.975 4.312 -2.499 1.00 0.26 C ATOM 154 O GLY A 8 101.047 5.101 -2.515 1.00 0.29 O ATOM 0 H GLY A 8 103.207 1.552 -2.050 1.00 0.34 H new ATOM 0 HA2 GLY A 8 101.193 2.576 -1.469 1.00 0.32 H new ATOM 0 HA3 GLY A 8 102.031 3.705 -0.422 1.00 0.32 H new ATOM 158 N SER A 9 102.925 4.360 -3.410 1.00 0.20 N ATOM 159 CA SER A 9 102.830 5.331 -4.545 1.00 0.16 C ATOM 160 C SER A 9 102.035 4.711 -5.699 1.00 0.15 C ATOM 161 O SER A 9 101.963 3.503 -5.831 1.00 0.15 O ATOM 162 CB SER A 9 104.275 5.602 -4.969 1.00 0.17 C ATOM 163 OG SER A 9 104.806 4.448 -5.608 1.00 1.15 O ATOM 0 H SER A 9 103.757 3.770 -3.413 1.00 0.20 H new ATOM 0 HA SER A 9 102.317 6.250 -4.260 1.00 0.16 H new ATOM 0 HB2 SER A 9 104.313 6.455 -5.646 1.00 0.17 H new ATOM 0 HB3 SER A 9 104.879 5.859 -4.098 1.00 0.17 H new ATOM 0 HG SER A 9 105.437 4.002 -5.005 1.00 1.15 H new ATOM 169 N ASN A 10 101.440 5.530 -6.532 1.00 0.16 N ATOM 170 CA ASN A 10 100.682 4.995 -7.706 1.00 0.16 C ATOM 171 C ASN A 10 101.564 5.015 -8.955 1.00 0.14 C ATOM 172 O ASN A 10 101.953 6.065 -9.438 1.00 0.15 O ATOM 173 CB ASN A 10 99.491 5.940 -7.875 1.00 0.21 C ATOM 174 CG ASN A 10 98.466 5.313 -8.824 1.00 0.97 C ATOM 175 OD1 ASN A 10 98.824 4.617 -9.754 1.00 1.99 O ATOM 176 ND2 ASN A 10 97.195 5.530 -8.626 1.00 1.06 N ATOM 0 H ASN A 10 101.447 6.547 -6.449 1.00 0.16 H new ATOM 0 HA ASN A 10 100.364 3.963 -7.557 1.00 0.16 H new ATOM 0 HB2 ASN A 10 99.031 6.138 -6.907 1.00 0.21 H new ATOM 0 HB3 ASN A 10 99.828 6.898 -8.270 1.00 0.21 H new ATOM 0 HD21 ASN A 10 96.503 5.116 -9.251 1.00 1.06 H new ATOM 0 HD22 ASN A 10 96.893 6.114 -7.846 1.00 1.06 H new ATOM 183 N VAL A 11 101.879 3.857 -9.476 1.00 0.12 N ATOM 184 CA VAL A 11 102.706 3.780 -10.720 1.00 0.12 C ATOM 185 C VAL A 11 102.042 2.829 -11.720 1.00 0.12 C ATOM 186 O VAL A 11 101.196 2.035 -11.352 1.00 0.13 O ATOM 187 CB VAL A 11 104.079 3.240 -10.277 1.00 0.13 C ATOM 188 CG1 VAL A 11 104.739 4.239 -9.325 1.00 0.15 C ATOM 189 CG2 VAL A 11 103.918 1.891 -9.561 1.00 0.14 C ATOM 0 H VAL A 11 101.597 2.955 -9.091 1.00 0.12 H new ATOM 0 HA VAL A 11 102.806 4.748 -11.211 1.00 0.12 H new ATOM 0 HB VAL A 11 104.702 3.102 -11.161 1.00 0.13 H new ATOM 0 HG11 VAL A 11 105.710 3.856 -9.012 1.00 0.15 H new ATOM 0 HG12 VAL A 11 104.872 5.193 -9.834 1.00 0.15 H new ATOM 0 HG13 VAL A 11 104.105 4.380 -8.449 1.00 0.15 H new ATOM 0 HG21 VAL A 11 104.897 1.523 -9.254 1.00 0.14 H new ATOM 0 HG22 VAL A 11 103.287 2.019 -8.682 1.00 0.14 H new ATOM 0 HG23 VAL A 11 103.456 1.173 -10.238 1.00 0.14 H new ATOM 199 N GLU A 12 102.416 2.901 -12.974 1.00 0.12 N ATOM 200 CA GLU A 12 101.906 1.907 -13.964 1.00 0.12 C ATOM 201 C GLU A 12 103.083 1.125 -14.553 1.00 0.11 C ATOM 202 O GLU A 12 104.163 1.651 -14.719 1.00 0.11 O ATOM 203 CB GLU A 12 101.206 2.742 -15.043 1.00 0.15 C ATOM 204 CG GLU A 12 100.588 1.820 -16.100 1.00 0.17 C ATOM 205 CD GLU A 12 99.929 2.664 -17.193 1.00 0.23 C ATOM 206 OE1 GLU A 12 100.608 2.991 -18.152 1.00 0.81 O ATOM 207 OE2 GLU A 12 98.756 2.969 -17.051 1.00 0.94 O ATOM 0 H GLU A 12 103.051 3.604 -13.352 1.00 0.12 H new ATOM 0 HA GLU A 12 101.226 1.179 -13.522 1.00 0.12 H new ATOM 0 HB2 GLU A 12 100.431 3.361 -14.590 1.00 0.15 H new ATOM 0 HB3 GLU A 12 101.921 3.419 -15.512 1.00 0.15 H new ATOM 0 HG2 GLU A 12 101.357 1.180 -16.534 1.00 0.17 H new ATOM 0 HG3 GLU A 12 99.850 1.164 -15.638 1.00 0.17 H new ATOM 214 N VAL A 13 102.878 -0.131 -14.859 1.00 0.11 N ATOM 215 CA VAL A 13 103.985 -0.958 -15.426 1.00 0.11 C ATOM 216 C VAL A 13 103.475 -1.758 -16.628 1.00 0.12 C ATOM 217 O VAL A 13 102.350 -2.224 -16.632 1.00 0.16 O ATOM 218 CB VAL A 13 104.420 -1.892 -14.281 1.00 0.13 C ATOM 219 CG1 VAL A 13 103.292 -2.867 -13.915 1.00 0.15 C ATOM 220 CG2 VAL A 13 105.647 -2.697 -14.715 1.00 0.15 C ATOM 0 H VAL A 13 101.991 -0.620 -14.740 1.00 0.11 H new ATOM 0 HA VAL A 13 104.819 -0.353 -15.782 1.00 0.11 H new ATOM 0 HB VAL A 13 104.658 -1.280 -13.411 1.00 0.13 H new ATOM 0 HG11 VAL A 13 103.622 -3.517 -13.104 1.00 0.15 H new ATOM 0 HG12 VAL A 13 102.415 -2.305 -13.596 1.00 0.15 H new ATOM 0 HG13 VAL A 13 103.038 -3.473 -14.785 1.00 0.15 H new ATOM 0 HG21 VAL A 13 105.954 -3.358 -13.904 1.00 0.15 H new ATOM 0 HG22 VAL A 13 105.399 -3.292 -15.594 1.00 0.15 H new ATOM 0 HG23 VAL A 13 106.463 -2.015 -14.956 1.00 0.15 H new ATOM 230 N LEU A 14 104.288 -1.918 -17.641 1.00 0.11 N ATOM 231 CA LEU A 14 103.933 -2.897 -18.712 1.00 0.11 C ATOM 232 C LEU A 14 104.566 -4.242 -18.397 1.00 0.11 C ATOM 233 O LEU A 14 105.719 -4.316 -18.012 1.00 0.13 O ATOM 234 CB LEU A 14 104.502 -2.368 -20.036 1.00 0.14 C ATOM 235 CG LEU A 14 104.014 -0.943 -20.371 1.00 0.16 C ATOM 236 CD1 LEU A 14 103.963 -0.795 -21.892 1.00 0.21 C ATOM 237 CD2 LEU A 14 102.611 -0.680 -19.813 1.00 0.21 C ATOM 0 H LEU A 14 105.169 -1.421 -17.772 1.00 0.11 H new ATOM 0 HA LEU A 14 102.852 -3.018 -18.777 1.00 0.11 H new ATOM 0 HB2 LEU A 14 105.591 -2.371 -19.985 1.00 0.14 H new ATOM 0 HB3 LEU A 14 104.218 -3.043 -20.843 1.00 0.14 H new ATOM 0 HG LEU A 14 104.703 -0.229 -19.920 1.00 0.16 H new ATOM 0 HD11 LEU A 14 103.620 0.207 -22.149 1.00 0.21 H new ATOM 0 HD12 LEU A 14 104.958 -0.955 -22.307 1.00 0.21 H new ATOM 0 HD13 LEU A 14 103.275 -1.532 -22.306 1.00 0.21 H new ATOM 0 HD21 LEU A 14 102.302 0.333 -20.069 1.00 0.21 H new ATOM 0 HD22 LEU A 14 101.909 -1.394 -20.244 1.00 0.21 H new ATOM 0 HD23 LEU A 14 102.624 -0.793 -18.729 1.00 0.21 H new ATOM 249 N LEU A 15 103.826 -5.302 -18.557 1.00 0.11 N ATOM 250 CA LEU A 15 104.421 -6.655 -18.360 1.00 0.12 C ATOM 251 C LEU A 15 105.078 -7.135 -19.658 1.00 0.14 C ATOM 252 O LEU A 15 104.979 -6.494 -20.689 1.00 0.16 O ATOM 253 CB LEU A 15 103.255 -7.567 -17.969 1.00 0.14 C ATOM 254 CG LEU A 15 102.686 -7.128 -16.617 1.00 0.13 C ATOM 255 CD1 LEU A 15 101.361 -7.849 -16.361 1.00 0.17 C ATOM 256 CD2 LEU A 15 103.679 -7.484 -15.506 1.00 0.12 C ATOM 0 H LEU A 15 102.839 -5.292 -18.815 1.00 0.11 H new ATOM 0 HA LEU A 15 105.196 -6.653 -17.593 1.00 0.12 H new ATOM 0 HB2 LEU A 15 102.478 -7.526 -18.732 1.00 0.14 H new ATOM 0 HB3 LEU A 15 103.593 -8.602 -17.913 1.00 0.14 H new ATOM 0 HG LEU A 15 102.519 -6.051 -16.627 1.00 0.13 H new ATOM 0 HD11 LEU A 15 100.957 -7.536 -15.398 1.00 0.17 H new ATOM 0 HD12 LEU A 15 100.652 -7.599 -17.151 1.00 0.17 H new ATOM 0 HD13 LEU A 15 101.529 -8.926 -16.351 1.00 0.17 H new ATOM 0 HD21 LEU A 15 103.275 -7.172 -14.543 1.00 0.12 H new ATOM 0 HD22 LEU A 15 103.845 -8.561 -15.498 1.00 0.12 H new ATOM 0 HD23 LEU A 15 104.625 -6.973 -15.686 1.00 0.12 H new ATOM 268 N ASN A 16 105.747 -8.262 -19.609 1.00 0.14 N ATOM 269 CA ASN A 16 106.505 -8.771 -20.808 1.00 0.16 C ATOM 270 C ASN A 16 105.590 -8.922 -22.034 1.00 0.19 C ATOM 271 O ASN A 16 106.052 -8.930 -23.160 1.00 0.22 O ATOM 272 CB ASN A 16 107.075 -10.137 -20.386 1.00 0.16 C ATOM 273 CG ASN A 16 105.943 -11.088 -19.976 1.00 0.22 C ATOM 274 OD1 ASN A 16 105.058 -11.373 -20.759 1.00 0.66 O ATOM 275 ND2 ASN A 16 105.936 -11.592 -18.772 1.00 0.36 N ATOM 0 H ASN A 16 105.804 -8.860 -18.785 1.00 0.14 H new ATOM 0 HA ASN A 16 107.289 -8.073 -21.101 1.00 0.16 H new ATOM 0 HB2 ASN A 16 107.642 -10.571 -21.209 1.00 0.16 H new ATOM 0 HB3 ASN A 16 107.768 -10.007 -19.555 1.00 0.16 H new ATOM 0 HD21 ASN A 16 105.188 -12.225 -18.488 1.00 0.36 H new ATOM 0 HD22 ASN A 16 106.679 -11.353 -18.115 1.00 0.36 H new ATOM 282 N ASN A 17 104.302 -9.042 -21.821 1.00 0.19 N ATOM 283 CA ASN A 17 103.361 -9.225 -22.970 1.00 0.21 C ATOM 284 C ASN A 17 102.759 -7.878 -23.409 1.00 0.19 C ATOM 285 O ASN A 17 101.689 -7.836 -23.986 1.00 0.22 O ATOM 286 CB ASN A 17 102.270 -10.180 -22.452 1.00 0.26 C ATOM 287 CG ASN A 17 101.500 -9.553 -21.279 1.00 0.27 C ATOM 288 OD1 ASN A 17 101.956 -8.607 -20.666 1.00 0.77 O ATOM 289 ND2 ASN A 17 100.341 -10.049 -20.939 1.00 0.95 N ATOM 0 H ASN A 17 103.862 -9.021 -20.901 1.00 0.19 H new ATOM 0 HA ASN A 17 103.865 -9.629 -23.848 1.00 0.21 H new ATOM 0 HB2 ASN A 17 101.578 -10.419 -23.259 1.00 0.26 H new ATOM 0 HB3 ASN A 17 102.724 -11.118 -22.133 1.00 0.26 H new ATOM 0 HD21 ASN A 17 99.821 -9.643 -20.161 1.00 0.95 H new ATOM 0 HD22 ASN A 17 99.956 -10.842 -21.451 1.00 0.95 H new ATOM 296 N ASP A 18 103.438 -6.774 -23.135 1.00 0.17 N ATOM 297 CA ASP A 18 102.978 -5.429 -23.629 1.00 0.18 C ATOM 298 C ASP A 18 101.562 -5.119 -23.124 1.00 0.19 C ATOM 299 O ASP A 18 100.829 -4.367 -23.740 1.00 0.23 O ATOM 300 CB ASP A 18 103.001 -5.505 -25.163 1.00 0.21 C ATOM 301 CG ASP A 18 104.449 -5.597 -25.651 1.00 0.34 C ATOM 302 OD1 ASP A 18 105.206 -6.351 -25.064 1.00 1.07 O ATOM 303 OD2 ASP A 18 104.775 -4.909 -26.605 1.00 0.94 O ATOM 0 H ASP A 18 104.297 -6.753 -22.586 1.00 0.17 H new ATOM 0 HA ASP A 18 103.625 -4.632 -23.262 1.00 0.18 H new ATOM 0 HB2 ASP A 18 102.436 -6.373 -25.503 1.00 0.21 H new ATOM 0 HB3 ASP A 18 102.519 -4.625 -25.588 1.00 0.21 H new ATOM 308 N SER A 19 101.173 -5.693 -22.006 1.00 0.19 N ATOM 309 CA SER A 19 99.905 -5.272 -21.345 1.00 0.23 C ATOM 310 C SER A 19 100.227 -4.265 -20.240 1.00 0.21 C ATOM 311 O SER A 19 101.219 -4.399 -19.547 1.00 0.23 O ATOM 312 CB SER A 19 99.308 -6.555 -20.760 1.00 0.27 C ATOM 313 OG SER A 19 100.039 -6.935 -19.600 1.00 0.27 O ATOM 0 H SER A 19 101.684 -6.435 -21.527 1.00 0.19 H new ATOM 0 HA SER A 19 99.208 -4.792 -22.032 1.00 0.23 H new ATOM 0 HB2 SER A 19 98.260 -6.398 -20.506 1.00 0.27 H new ATOM 0 HB3 SER A 19 99.340 -7.354 -21.501 1.00 0.27 H new ATOM 0 HG SER A 19 100.701 -7.617 -19.839 1.00 0.27 H new ATOM 319 N LYS A 20 99.401 -3.266 -20.068 1.00 0.19 N ATOM 320 CA LYS A 20 99.715 -2.197 -19.071 1.00 0.16 C ATOM 321 C LYS A 20 98.766 -2.279 -17.869 1.00 0.17 C ATOM 322 O LYS A 20 97.581 -2.515 -18.017 1.00 0.20 O ATOM 323 CB LYS A 20 99.542 -0.863 -19.824 1.00 0.19 C ATOM 324 CG LYS A 20 98.094 -0.694 -20.314 1.00 1.11 C ATOM 325 CD LYS A 20 97.932 0.684 -20.958 1.00 1.26 C ATOM 326 CE LYS A 20 97.924 1.761 -19.870 1.00 2.02 C ATOM 327 NZ LYS A 20 97.108 2.872 -20.435 1.00 2.26 N ATOM 0 H LYS A 20 98.524 -3.143 -20.573 1.00 0.19 H new ATOM 0 HA LYS A 20 100.724 -2.301 -18.673 1.00 0.16 H new ATOM 0 HB2 LYS A 20 99.808 -0.034 -19.169 1.00 0.19 H new ATOM 0 HB3 LYS A 20 100.224 -0.829 -20.674 1.00 0.19 H new ATOM 0 HG2 LYS A 20 97.849 -1.475 -21.034 1.00 1.11 H new ATOM 0 HG3 LYS A 20 97.401 -0.801 -19.479 1.00 1.11 H new ATOM 0 HD2 LYS A 20 98.746 0.867 -21.659 1.00 1.26 H new ATOM 0 HD3 LYS A 20 97.005 0.723 -21.529 1.00 1.26 H new ATOM 0 HE2 LYS A 20 97.490 1.384 -18.944 1.00 2.02 H new ATOM 0 HE3 LYS A 20 98.935 2.093 -19.636 1.00 2.02 H new ATOM 0 HZ1 LYS A 20 97.056 3.650 -19.746 1.00 2.26 H new ATOM 0 HZ2 LYS A 20 97.549 3.215 -21.312 1.00 2.26 H new ATOM 0 HZ3 LYS A 20 96.149 2.528 -20.642 1.00 2.26 H new ATOM 341 N ALA A 21 99.288 -2.087 -16.683 1.00 0.16 N ATOM 342 CA ALA A 21 98.420 -2.046 -15.466 1.00 0.18 C ATOM 343 C ALA A 21 98.933 -0.982 -14.492 1.00 0.16 C ATOM 344 O ALA A 21 100.122 -0.727 -14.415 1.00 0.15 O ATOM 345 CB ALA A 21 98.535 -3.439 -14.848 1.00 0.24 C ATOM 0 H ALA A 21 100.284 -1.956 -16.505 1.00 0.16 H new ATOM 0 HA ALA A 21 97.387 -1.792 -15.702 1.00 0.18 H new ATOM 0 HB1 ALA A 21 97.924 -3.489 -13.947 1.00 0.24 H new ATOM 0 HB2 ALA A 21 98.188 -4.184 -15.564 1.00 0.24 H new ATOM 0 HB3 ALA A 21 99.576 -3.639 -14.592 1.00 0.24 H new ATOM 351 N ARG A 22 98.049 -0.361 -13.748 1.00 0.19 N ATOM 352 CA ARG A 22 98.479 0.701 -12.787 1.00 0.21 C ATOM 353 C ARG A 22 97.774 0.521 -11.443 1.00 0.25 C ATOM 354 O ARG A 22 96.691 -0.030 -11.373 1.00 0.36 O ATOM 355 CB ARG A 22 98.086 2.037 -13.442 1.00 0.33 C ATOM 356 CG ARG A 22 96.569 2.096 -13.680 1.00 0.41 C ATOM 357 CD ARG A 22 96.229 3.340 -14.505 1.00 0.42 C ATOM 358 NE ARG A 22 94.734 3.380 -14.552 1.00 1.08 N ATOM 359 CZ ARG A 22 94.044 2.577 -15.339 1.00 1.54 C ATOM 360 NH1 ARG A 22 94.634 1.692 -16.112 1.00 2.11 N ATOM 361 NH2 ARG A 22 92.742 2.658 -15.347 1.00 2.08 N ATOM 0 H ARG A 22 97.046 -0.545 -13.766 1.00 0.19 H new ATOM 0 HA ARG A 22 99.549 0.658 -12.586 1.00 0.21 H new ATOM 0 HB2 ARG A 22 98.392 2.865 -12.803 1.00 0.33 H new ATOM 0 HB3 ARG A 22 98.613 2.153 -14.389 1.00 0.33 H new ATOM 0 HG2 ARG A 22 96.237 1.199 -14.202 1.00 0.41 H new ATOM 0 HG3 ARG A 22 96.041 2.124 -12.727 1.00 0.41 H new ATOM 0 HD2 ARG A 22 96.633 4.241 -14.044 1.00 0.42 H new ATOM 0 HD3 ARG A 22 96.653 3.277 -15.507 1.00 0.42 H new ATOM 0 HE ARG A 22 94.236 4.045 -13.961 1.00 1.08 H new ATOM 0 HH11 ARG A 22 95.651 1.613 -16.113 1.00 2.11 H new ATOM 0 HH12 ARG A 22 94.075 1.084 -16.710 1.00 2.11 H new ATOM 0 HH21 ARG A 22 92.270 3.336 -14.749 1.00 2.08 H new ATOM 0 HH22 ARG A 22 92.196 2.043 -15.951 1.00 2.08 H new ATOM 375 N GLY A 23 98.387 0.979 -10.380 1.00 0.20 N ATOM 376 CA GLY A 23 97.728 0.910 -9.044 1.00 0.24 C ATOM 377 C GLY A 23 98.668 1.478 -7.982 1.00 0.18 C ATOM 378 O GLY A 23 99.766 1.910 -8.284 1.00 0.17 O ATOM 0 H GLY A 23 99.317 1.398 -10.382 1.00 0.20 H new ATOM 0 HA2 GLY A 23 96.795 1.473 -9.058 1.00 0.24 H new ATOM 0 HA3 GLY A 23 97.474 -0.123 -8.805 1.00 0.24 H new ATOM 382 N VAL A 24 98.245 1.480 -6.742 1.00 0.16 N ATOM 383 CA VAL A 24 99.131 1.970 -5.641 1.00 0.14 C ATOM 384 C VAL A 24 99.891 0.786 -5.035 1.00 0.17 C ATOM 385 O VAL A 24 99.315 -0.246 -4.745 1.00 0.28 O ATOM 386 CB VAL A 24 98.191 2.605 -4.603 1.00 0.12 C ATOM 387 CG1 VAL A 24 99.013 3.182 -3.445 1.00 0.15 C ATOM 388 CG2 VAL A 24 97.385 3.736 -5.253 1.00 0.14 C ATOM 0 H VAL A 24 97.322 1.163 -6.444 1.00 0.16 H new ATOM 0 HA VAL A 24 99.871 2.689 -5.991 1.00 0.14 H new ATOM 0 HB VAL A 24 97.512 1.839 -4.228 1.00 0.12 H new ATOM 0 HG11 VAL A 24 98.343 3.631 -2.712 1.00 0.15 H new ATOM 0 HG12 VAL A 24 99.586 2.384 -2.972 1.00 0.15 H new ATOM 0 HG13 VAL A 24 99.695 3.942 -3.826 1.00 0.15 H new ATOM 0 HG21 VAL A 24 96.721 4.182 -4.512 1.00 0.14 H new ATOM 0 HG22 VAL A 24 98.067 4.497 -5.633 1.00 0.14 H new ATOM 0 HG23 VAL A 24 96.793 3.335 -6.076 1.00 0.14 H new ATOM 398 N ILE A 25 101.179 0.931 -4.842 1.00 0.16 N ATOM 399 CA ILE A 25 101.997 -0.203 -4.303 1.00 0.18 C ATOM 400 C ILE A 25 101.571 -0.529 -2.862 1.00 0.21 C ATOM 401 O ILE A 25 101.356 0.355 -2.053 1.00 0.25 O ATOM 402 CB ILE A 25 103.457 0.286 -4.367 1.00 0.25 C ATOM 403 CG1 ILE A 25 103.920 0.284 -5.828 1.00 0.29 C ATOM 404 CG2 ILE A 25 104.377 -0.628 -3.544 1.00 0.30 C ATOM 405 CD1 ILE A 25 105.158 1.170 -5.977 1.00 0.33 C ATOM 0 H ILE A 25 101.701 1.786 -5.034 1.00 0.16 H new ATOM 0 HA ILE A 25 101.864 -1.122 -4.874 1.00 0.18 H new ATOM 0 HB ILE A 25 103.508 1.293 -3.953 1.00 0.25 H new ATOM 0 HG12 ILE A 25 104.148 -0.733 -6.146 1.00 0.29 H new ATOM 0 HG13 ILE A 25 103.121 0.648 -6.474 1.00 0.29 H new ATOM 0 HG21 ILE A 25 105.402 -0.262 -3.605 1.00 0.30 H new ATOM 0 HG22 ILE A 25 104.053 -0.628 -2.503 1.00 0.30 H new ATOM 0 HG23 ILE A 25 104.330 -1.643 -3.939 1.00 0.30 H new ATOM 0 HD11 ILE A 25 105.485 1.167 -7.017 1.00 0.33 H new ATOM 0 HD12 ILE A 25 104.914 2.189 -5.677 1.00 0.33 H new ATOM 0 HD13 ILE A 25 105.958 0.787 -5.344 1.00 0.33 H new ATOM 417 N THR A 26 101.452 -1.798 -2.552 1.00 0.23 N ATOM 418 CA THR A 26 101.012 -2.210 -1.186 1.00 0.29 C ATOM 419 C THR A 26 102.017 -3.174 -0.536 1.00 0.36 C ATOM 420 O THR A 26 101.977 -3.376 0.662 1.00 0.56 O ATOM 421 CB THR A 26 99.665 -2.903 -1.393 1.00 0.29 C ATOM 422 OG1 THR A 26 99.798 -3.915 -2.381 1.00 0.28 O ATOM 423 CG2 THR A 26 98.624 -1.877 -1.846 1.00 0.25 C ATOM 0 H THR A 26 101.643 -2.569 -3.192 1.00 0.23 H new ATOM 0 HA THR A 26 100.940 -1.352 -0.517 1.00 0.29 H new ATOM 0 HB THR A 26 99.342 -3.354 -0.455 1.00 0.29 H new ATOM 0 HG1 THR A 26 100.096 -3.513 -3.223 1.00 0.28 H new ATOM 0 HG21 THR A 26 97.664 -2.373 -1.993 1.00 0.25 H new ATOM 0 HG22 THR A 26 98.520 -1.104 -1.085 1.00 0.25 H new ATOM 0 HG23 THR A 26 98.945 -1.423 -2.783 1.00 0.25 H new ATOM 431 N ASN A 27 102.911 -3.777 -1.298 1.00 0.21 N ATOM 432 CA ASN A 27 103.975 -4.618 -0.659 1.00 0.20 C ATOM 433 C ASN A 27 105.181 -4.781 -1.587 1.00 0.21 C ATOM 434 O ASN A 27 105.059 -4.729 -2.796 1.00 0.20 O ATOM 435 CB ASN A 27 103.309 -5.971 -0.407 1.00 0.21 C ATOM 436 CG ASN A 27 104.172 -6.796 0.549 1.00 0.23 C ATOM 437 OD1 ASN A 27 104.378 -6.414 1.684 1.00 1.08 O ATOM 438 ND2 ASN A 27 104.691 -7.919 0.135 1.00 1.13 N ATOM 0 H ASN A 27 102.947 -3.722 -2.316 1.00 0.21 H new ATOM 0 HA ASN A 27 104.352 -4.164 0.257 1.00 0.20 H new ATOM 0 HB2 ASN A 27 102.315 -5.826 0.017 1.00 0.21 H new ATOM 0 HB3 ASN A 27 103.179 -6.505 -1.348 1.00 0.21 H new ATOM 0 HD21 ASN A 27 105.269 -8.476 0.764 1.00 1.13 H new ATOM 0 HD22 ASN A 27 104.518 -8.240 -0.818 1.00 1.13 H new ATOM 445 N PHE A 28 106.346 -4.974 -1.015 1.00 0.25 N ATOM 446 CA PHE A 28 107.564 -5.264 -1.830 1.00 0.27 C ATOM 447 C PHE A 28 108.514 -6.158 -1.031 1.00 0.31 C ATOM 448 O PHE A 28 108.783 -5.909 0.129 1.00 0.38 O ATOM 449 CB PHE A 28 108.200 -3.901 -2.099 1.00 0.30 C ATOM 450 CG PHE A 28 109.371 -3.963 -3.050 1.00 0.34 C ATOM 451 CD1 PHE A 28 109.154 -4.242 -4.422 1.00 0.31 C ATOM 452 CD2 PHE A 28 110.686 -3.740 -2.572 1.00 0.42 C ATOM 453 CE1 PHE A 28 110.253 -4.299 -5.315 1.00 0.36 C ATOM 454 CE2 PHE A 28 111.783 -3.797 -3.465 1.00 0.46 C ATOM 455 CZ PHE A 28 111.567 -4.076 -4.836 1.00 0.43 C ATOM 0 H PHE A 28 106.504 -4.942 -0.008 1.00 0.25 H new ATOM 0 HA PHE A 28 107.333 -5.786 -2.758 1.00 0.27 H new ATOM 0 HB2 PHE A 28 107.444 -3.230 -2.508 1.00 0.30 H new ATOM 0 HB3 PHE A 28 108.531 -3.470 -1.154 1.00 0.30 H new ATOM 0 HD1 PHE A 28 108.152 -4.411 -4.787 1.00 0.31 H new ATOM 0 HD2 PHE A 28 110.851 -3.527 -1.526 1.00 0.42 H new ATOM 0 HE1 PHE A 28 110.088 -4.512 -6.361 1.00 0.36 H new ATOM 0 HE2 PHE A 28 112.785 -3.628 -3.100 1.00 0.46 H new ATOM 0 HZ PHE A 28 112.404 -4.119 -5.517 1.00 0.43 H new ATOM 465 N ASP A 29 109.023 -7.195 -1.647 1.00 0.27 N ATOM 466 CA ASP A 29 109.894 -8.164 -0.914 1.00 0.32 C ATOM 467 C ASP A 29 111.261 -8.253 -1.595 1.00 0.32 C ATOM 468 O ASP A 29 111.354 -8.564 -2.766 1.00 0.29 O ATOM 469 CB ASP A 29 109.159 -9.502 -1.002 1.00 0.32 C ATOM 470 CG ASP A 29 109.846 -10.525 -0.098 1.00 0.39 C ATOM 471 OD1 ASP A 29 110.739 -11.204 -0.577 1.00 0.95 O ATOM 472 OD2 ASP A 29 109.467 -10.614 1.059 1.00 1.04 O ATOM 0 H ASP A 29 108.872 -7.413 -2.632 1.00 0.27 H new ATOM 0 HA ASP A 29 110.071 -7.867 0.120 1.00 0.32 H new ATOM 0 HB2 ASP A 29 108.119 -9.377 -0.702 1.00 0.32 H new ATOM 0 HB3 ASP A 29 109.153 -9.858 -2.032 1.00 0.32 H new ATOM 477 N SER A 30 112.317 -7.983 -0.867 1.00 0.37 N ATOM 478 CA SER A 30 113.684 -7.988 -1.481 1.00 0.39 C ATOM 479 C SER A 30 114.151 -9.423 -1.758 1.00 0.39 C ATOM 480 O SER A 30 114.912 -9.664 -2.676 1.00 0.41 O ATOM 481 CB SER A 30 114.594 -7.321 -0.449 1.00 0.46 C ATOM 482 OG SER A 30 114.697 -8.158 0.696 1.00 1.31 O ATOM 0 H SER A 30 112.292 -7.759 0.128 1.00 0.37 H new ATOM 0 HA SER A 30 113.697 -7.464 -2.437 1.00 0.39 H new ATOM 0 HB2 SER A 30 115.581 -7.147 -0.876 1.00 0.46 H new ATOM 0 HB3 SER A 30 114.192 -6.348 -0.167 1.00 0.46 H new ATOM 0 HG SER A 30 115.281 -7.735 1.359 1.00 1.31 H new ATOM 488 N SER A 31 113.701 -10.374 -0.971 1.00 0.40 N ATOM 489 CA SER A 31 114.188 -11.786 -1.133 1.00 0.43 C ATOM 490 C SER A 31 113.782 -12.348 -2.500 1.00 0.39 C ATOM 491 O SER A 31 114.574 -12.979 -3.177 1.00 0.42 O ATOM 492 CB SER A 31 113.516 -12.581 -0.011 1.00 0.49 C ATOM 493 OG SER A 31 113.710 -11.904 1.225 1.00 1.13 O ATOM 0 H SER A 31 113.019 -10.235 -0.225 1.00 0.40 H new ATOM 0 HA SER A 31 115.275 -11.843 -1.079 1.00 0.43 H new ATOM 0 HB2 SER A 31 112.451 -12.691 -0.215 1.00 0.49 H new ATOM 0 HB3 SER A 31 113.936 -13.585 0.041 1.00 0.49 H new ATOM 0 HG SER A 31 113.279 -12.409 1.946 1.00 1.13 H new ATOM 499 N ASN A 32 112.556 -12.124 -2.909 1.00 0.35 N ATOM 500 CA ASN A 32 112.086 -12.657 -4.229 1.00 0.34 C ATOM 501 C ASN A 32 111.548 -11.530 -5.130 1.00 0.28 C ATOM 502 O ASN A 32 111.011 -11.791 -6.191 1.00 0.27 O ATOM 503 CB ASN A 32 110.965 -13.638 -3.881 1.00 0.39 C ATOM 504 CG ASN A 32 111.545 -14.840 -3.130 1.00 1.02 C ATOM 505 OD1 ASN A 32 112.638 -15.284 -3.423 1.00 1.68 O ATOM 506 ND2 ASN A 32 110.855 -15.388 -2.167 1.00 1.68 N ATOM 0 H ASN A 32 111.859 -11.594 -2.385 1.00 0.35 H new ATOM 0 HA ASN A 32 112.899 -13.129 -4.782 1.00 0.34 H new ATOM 0 HB2 ASN A 32 110.213 -13.142 -3.268 1.00 0.39 H new ATOM 0 HB3 ASN A 32 110.466 -13.972 -4.790 1.00 0.39 H new ATOM 0 HD21 ASN A 32 111.233 -16.189 -1.660 1.00 1.68 H new ATOM 0 HD22 ASN A 32 109.938 -15.016 -1.921 1.00 1.68 H new ATOM 513 N SER A 33 111.689 -10.281 -4.721 1.00 0.27 N ATOM 514 CA SER A 33 111.189 -9.126 -5.549 1.00 0.24 C ATOM 515 C SER A 33 109.716 -9.328 -5.947 1.00 0.19 C ATOM 516 O SER A 33 109.392 -9.511 -7.107 1.00 0.19 O ATOM 517 CB SER A 33 112.093 -9.089 -6.789 1.00 0.26 C ATOM 518 OG SER A 33 113.449 -9.261 -6.391 1.00 0.98 O ATOM 0 H SER A 33 112.133 -10.013 -3.842 1.00 0.27 H new ATOM 0 HA SER A 33 111.228 -8.188 -4.994 1.00 0.24 H new ATOM 0 HB2 SER A 33 111.805 -9.875 -7.486 1.00 0.26 H new ATOM 0 HB3 SER A 33 111.973 -8.140 -7.312 1.00 0.26 H new ATOM 0 HG SER A 33 114.027 -9.239 -7.182 1.00 0.98 H new ATOM 524 N ILE A 34 108.827 -9.296 -4.983 1.00 0.18 N ATOM 525 CA ILE A 34 107.371 -9.484 -5.284 1.00 0.15 C ATOM 526 C ILE A 34 106.604 -8.207 -4.920 1.00 0.14 C ATOM 527 O ILE A 34 106.774 -7.659 -3.849 1.00 0.20 O ATOM 528 CB ILE A 34 106.914 -10.664 -4.407 1.00 0.20 C ATOM 529 CG1 ILE A 34 107.796 -11.907 -4.662 1.00 0.23 C ATOM 530 CG2 ILE A 34 105.450 -11.002 -4.714 1.00 0.20 C ATOM 531 CD1 ILE A 34 107.706 -12.369 -6.129 1.00 0.21 C ATOM 0 H ILE A 34 109.047 -9.147 -3.998 1.00 0.18 H new ATOM 0 HA ILE A 34 107.188 -9.685 -6.340 1.00 0.15 H new ATOM 0 HB ILE A 34 107.011 -10.375 -3.361 1.00 0.20 H new ATOM 0 HG12 ILE A 34 108.832 -11.677 -4.414 1.00 0.23 H new ATOM 0 HG13 ILE A 34 107.484 -12.718 -4.004 1.00 0.23 H new ATOM 0 HG21 ILE A 34 105.131 -11.838 -4.091 1.00 0.20 H new ATOM 0 HG22 ILE A 34 104.825 -10.134 -4.505 1.00 0.20 H new ATOM 0 HG23 ILE A 34 105.352 -11.275 -5.765 1.00 0.20 H new ATOM 0 HD11 ILE A 34 108.338 -13.245 -6.274 1.00 0.21 H new ATOM 0 HD12 ILE A 34 106.673 -12.623 -6.368 1.00 0.21 H new ATOM 0 HD13 ILE A 34 108.043 -11.566 -6.785 1.00 0.21 H new ATOM 543 N LEU A 35 105.761 -7.738 -5.808 1.00 0.10 N ATOM 544 CA LEU A 35 105.083 -6.421 -5.594 1.00 0.11 C ATOM 545 C LEU A 35 103.564 -6.586 -5.677 1.00 0.10 C ATOM 546 O LEU A 35 103.038 -7.072 -6.660 1.00 0.08 O ATOM 547 CB LEU A 35 105.594 -5.538 -6.735 1.00 0.13 C ATOM 548 CG LEU A 35 105.072 -4.108 -6.567 1.00 0.17 C ATOM 549 CD1 LEU A 35 105.978 -3.341 -5.601 1.00 0.21 C ATOM 550 CD2 LEU A 35 105.070 -3.409 -7.928 1.00 0.19 C ATOM 0 H LEU A 35 105.512 -8.213 -6.676 1.00 0.10 H new ATOM 0 HA LEU A 35 105.297 -5.994 -4.614 1.00 0.11 H new ATOM 0 HB2 LEU A 35 106.684 -5.537 -6.744 1.00 0.13 H new ATOM 0 HB3 LEU A 35 105.267 -5.943 -7.693 1.00 0.13 H new ATOM 0 HG LEU A 35 104.059 -4.134 -6.167 1.00 0.17 H new ATOM 0 HD11 LEU A 35 105.605 -2.324 -5.483 1.00 0.21 H new ATOM 0 HD12 LEU A 35 105.983 -3.841 -4.632 1.00 0.21 H new ATOM 0 HD13 LEU A 35 106.992 -3.312 -5.999 1.00 0.21 H new ATOM 0 HD21 LEU A 35 104.699 -2.390 -7.813 1.00 0.19 H new ATOM 0 HD22 LEU A 35 106.085 -3.383 -8.325 1.00 0.19 H new ATOM 0 HD23 LEU A 35 104.425 -3.955 -8.616 1.00 0.19 H new ATOM 562 N GLN A 36 102.864 -6.180 -4.649 1.00 0.12 N ATOM 563 CA GLN A 36 101.374 -6.156 -4.711 1.00 0.12 C ATOM 564 C GLN A 36 100.901 -4.749 -5.068 1.00 0.11 C ATOM 565 O GLN A 36 101.284 -3.785 -4.434 1.00 0.12 O ATOM 566 CB GLN A 36 100.908 -6.541 -3.307 1.00 0.13 C ATOM 567 CG GLN A 36 101.093 -8.044 -3.101 1.00 0.14 C ATOM 568 CD GLN A 36 100.580 -8.438 -1.715 1.00 0.16 C ATOM 569 OE1 GLN A 36 99.395 -8.614 -1.520 1.00 0.93 O ATOM 570 NE2 GLN A 36 101.431 -8.585 -0.736 1.00 0.87 N ATOM 0 H GLN A 36 103.264 -5.863 -3.766 1.00 0.12 H new ATOM 0 HA GLN A 36 100.975 -6.835 -5.465 1.00 0.12 H new ATOM 0 HB2 GLN A 36 101.477 -5.988 -2.559 1.00 0.13 H new ATOM 0 HB3 GLN A 36 99.860 -6.271 -3.174 1.00 0.13 H new ATOM 0 HG2 GLN A 36 100.553 -8.596 -3.870 1.00 0.14 H new ATOM 0 HG3 GLN A 36 102.146 -8.308 -3.199 1.00 0.14 H new ATOM 0 HE21 GLN A 36 102.427 -8.437 -0.899 1.00 0.87 H new ATOM 0 HE22 GLN A 36 101.100 -8.848 0.192 1.00 0.87 H new ATOM 579 N LEU A 37 100.075 -4.627 -6.079 1.00 0.11 N ATOM 580 CA LEU A 37 99.551 -3.285 -6.473 1.00 0.10 C ATOM 581 C LEU A 37 98.056 -3.192 -6.161 1.00 0.12 C ATOM 582 O LEU A 37 97.274 -4.017 -6.597 1.00 0.13 O ATOM 583 CB LEU A 37 99.785 -3.184 -7.983 1.00 0.12 C ATOM 584 CG LEU A 37 101.288 -3.190 -8.284 1.00 0.23 C ATOM 585 CD1 LEU A 37 101.504 -3.318 -9.793 1.00 0.24 C ATOM 586 CD2 LEU A 37 101.915 -1.882 -7.793 1.00 0.36 C ATOM 0 H LEU A 37 99.741 -5.404 -6.650 1.00 0.11 H new ATOM 0 HA LEU A 37 100.046 -2.479 -5.931 1.00 0.10 H new ATOM 0 HB2 LEU A 37 99.301 -4.018 -8.491 1.00 0.12 H new ATOM 0 HB3 LEU A 37 99.332 -2.271 -8.369 1.00 0.12 H new ATOM 0 HG LEU A 37 101.755 -4.032 -7.774 1.00 0.23 H new ATOM 0 HD11 LEU A 37 102.572 -3.322 -10.009 1.00 0.24 H new ATOM 0 HD12 LEU A 37 101.059 -4.248 -10.147 1.00 0.24 H new ATOM 0 HD13 LEU A 37 101.035 -2.475 -10.300 1.00 0.24 H new ATOM 0 HD21 LEU A 37 102.984 -1.888 -8.008 1.00 0.36 H new ATOM 0 HD22 LEU A 37 101.447 -1.040 -8.303 1.00 0.36 H new ATOM 0 HD23 LEU A 37 101.761 -1.786 -6.718 1.00 0.36 H new ATOM 598 N ARG A 38 97.659 -2.195 -5.410 1.00 0.14 N ATOM 599 CA ARG A 38 96.203 -2.000 -5.121 1.00 0.17 C ATOM 600 C ARG A 38 95.699 -0.725 -5.808 1.00 0.13 C ATOM 601 O ARG A 38 96.180 0.360 -5.547 1.00 0.10 O ATOM 602 CB ARG A 38 96.112 -1.869 -3.599 1.00 0.20 C ATOM 603 CG ARG A 38 94.643 -1.818 -3.170 1.00 0.77 C ATOM 604 CD ARG A 38 94.561 -1.668 -1.647 1.00 0.92 C ATOM 605 NE ARG A 38 93.100 -1.746 -1.319 1.00 1.56 N ATOM 606 CZ ARG A 38 92.683 -1.990 -0.090 1.00 2.22 C ATOM 607 NH1 ARG A 38 93.526 -2.169 0.902 1.00 2.92 N ATOM 608 NH2 ARG A 38 91.401 -2.052 0.146 1.00 2.63 N ATOM 0 H ARG A 38 98.280 -1.507 -4.984 1.00 0.14 H new ATOM 0 HA ARG A 38 95.592 -2.823 -5.491 1.00 0.17 H new ATOM 0 HB2 ARG A 38 96.611 -2.713 -3.122 1.00 0.20 H new ATOM 0 HB3 ARG A 38 96.628 -0.967 -3.271 1.00 0.20 H new ATOM 0 HG2 ARG A 38 94.140 -0.982 -3.656 1.00 0.77 H new ATOM 0 HG3 ARG A 38 94.129 -2.726 -3.485 1.00 0.77 H new ATOM 0 HD2 ARG A 38 95.120 -2.457 -1.144 1.00 0.92 H new ATOM 0 HD3 ARG A 38 94.987 -0.719 -1.322 1.00 0.92 H new ATOM 0 HE ARG A 38 92.414 -1.608 -2.061 1.00 1.56 H new ATOM 0 HH11 ARG A 38 94.531 -2.121 0.732 1.00 2.92 H new ATOM 0 HH12 ARG A 38 93.176 -2.356 1.842 1.00 2.92 H new ATOM 0 HH21 ARG A 38 90.735 -1.913 -0.614 1.00 2.63 H new ATOM 0 HH22 ARG A 38 91.065 -2.240 1.091 1.00 2.63 H new ATOM 622 N LEU A 39 94.730 -0.858 -6.680 1.00 0.22 N ATOM 623 CA LEU A 39 94.270 0.309 -7.492 1.00 0.25 C ATOM 624 C LEU A 39 92.961 0.878 -6.924 1.00 0.22 C ATOM 625 O LEU A 39 92.228 0.203 -6.219 1.00 0.23 O ATOM 626 CB LEU A 39 94.074 -0.262 -8.905 1.00 0.39 C ATOM 627 CG LEU A 39 93.526 0.803 -9.868 1.00 0.37 C ATOM 628 CD1 LEU A 39 94.533 1.946 -10.040 1.00 0.44 C ATOM 629 CD2 LEU A 39 93.282 0.154 -11.229 1.00 0.48 C ATOM 0 H LEU A 39 94.235 -1.731 -6.865 1.00 0.22 H new ATOM 0 HA LEU A 39 94.980 1.136 -7.485 1.00 0.25 H new ATOM 0 HB2 LEU A 39 95.024 -0.641 -9.281 1.00 0.39 H new ATOM 0 HB3 LEU A 39 93.387 -1.107 -8.866 1.00 0.39 H new ATOM 0 HG LEU A 39 92.600 1.207 -9.459 1.00 0.37 H new ATOM 0 HD11 LEU A 39 94.126 2.689 -10.725 1.00 0.44 H new ATOM 0 HD12 LEU A 39 94.725 2.411 -9.073 1.00 0.44 H new ATOM 0 HD13 LEU A 39 95.465 1.552 -10.444 1.00 0.44 H new ATOM 0 HD21 LEU A 39 92.893 0.899 -11.923 1.00 0.48 H new ATOM 0 HD22 LEU A 39 94.220 -0.246 -11.615 1.00 0.48 H new ATOM 0 HD23 LEU A 39 92.559 -0.655 -11.122 1.00 0.48 H new ATOM 641 N ALA A 40 92.669 2.121 -7.240 1.00 0.21 N ATOM 642 CA ALA A 40 91.525 2.839 -6.581 1.00 0.19 C ATOM 643 C ALA A 40 90.160 2.265 -7.002 1.00 0.23 C ATOM 644 O ALA A 40 89.131 2.725 -6.538 1.00 0.27 O ATOM 645 CB ALA A 40 91.648 4.295 -7.040 1.00 0.20 C ATOM 0 H ALA A 40 93.178 2.673 -7.931 1.00 0.21 H new ATOM 0 HA ALA A 40 91.573 2.732 -5.497 1.00 0.19 H new ATOM 0 HB1 ALA A 40 90.844 4.885 -6.599 1.00 0.20 H new ATOM 0 HB2 ALA A 40 92.610 4.697 -6.722 1.00 0.20 H new ATOM 0 HB3 ALA A 40 91.577 4.341 -8.127 1.00 0.20 H new ATOM 651 N ASN A 41 90.132 1.276 -7.867 1.00 0.25 N ATOM 652 CA ASN A 41 88.839 0.591 -8.190 1.00 0.29 C ATOM 653 C ASN A 41 88.568 -0.559 -7.204 1.00 0.30 C ATOM 654 O ASN A 41 87.883 -1.508 -7.537 1.00 0.34 O ATOM 655 CB ASN A 41 89.023 0.040 -9.607 1.00 0.33 C ATOM 656 CG ASN A 41 89.134 1.200 -10.599 1.00 1.21 C ATOM 657 OD1 ASN A 41 90.072 1.268 -11.370 1.00 1.86 O ATOM 658 ND2 ASN A 41 88.210 2.121 -10.612 1.00 1.89 N ATOM 0 H ASN A 41 90.948 0.915 -8.362 1.00 0.25 H new ATOM 0 HA ASN A 41 87.992 1.273 -8.118 1.00 0.29 H new ATOM 0 HB2 ASN A 41 89.919 -0.579 -9.654 1.00 0.33 H new ATOM 0 HB3 ASN A 41 88.180 -0.599 -9.872 1.00 0.33 H new ATOM 0 HD21 ASN A 41 88.274 2.899 -11.269 1.00 1.89 H new ATOM 0 HD22 ASN A 41 87.423 2.063 -9.965 1.00 1.89 H new ATOM 665 N ASP A 42 89.098 -0.489 -5.991 1.00 0.28 N ATOM 666 CA ASP A 42 88.859 -1.569 -4.972 1.00 0.32 C ATOM 667 C ASP A 42 89.402 -2.913 -5.477 1.00 0.33 C ATOM 668 O ASP A 42 88.910 -3.961 -5.104 1.00 0.37 O ATOM 669 CB ASP A 42 87.337 -1.645 -4.782 1.00 0.36 C ATOM 670 CG ASP A 42 87.022 -2.339 -3.455 1.00 1.03 C ATOM 671 OD1 ASP A 42 86.888 -3.552 -3.462 1.00 1.95 O ATOM 672 OD2 ASP A 42 86.920 -1.647 -2.457 1.00 1.33 O ATOM 0 H ASP A 42 89.689 0.277 -5.667 1.00 0.28 H new ATOM 0 HA ASP A 42 89.368 -1.349 -4.033 1.00 0.32 H new ATOM 0 HB2 ASP A 42 86.908 -0.643 -4.791 1.00 0.36 H new ATOM 0 HB3 ASP A 42 86.884 -2.193 -5.608 1.00 0.36 H new ATOM 677 N SER A 43 90.413 -2.890 -6.324 1.00 0.31 N ATOM 678 CA SER A 43 90.991 -4.170 -6.839 1.00 0.33 C ATOM 679 C SER A 43 92.485 -4.245 -6.511 1.00 0.30 C ATOM 680 O SER A 43 93.207 -3.273 -6.648 1.00 0.30 O ATOM 681 CB SER A 43 90.771 -4.125 -8.350 1.00 0.34 C ATOM 682 OG SER A 43 89.378 -4.204 -8.624 1.00 0.36 O ATOM 0 H SER A 43 90.857 -2.042 -6.676 1.00 0.31 H new ATOM 0 HA SER A 43 90.525 -5.046 -6.388 1.00 0.33 H new ATOM 0 HB2 SER A 43 91.183 -3.204 -8.762 1.00 0.34 H new ATOM 0 HB3 SER A 43 91.295 -4.951 -8.830 1.00 0.34 H new ATOM 0 HG SER A 43 88.936 -3.388 -8.309 1.00 0.36 H new ATOM 688 N THR A 44 92.948 -5.393 -6.080 1.00 0.30 N ATOM 689 CA THR A 44 94.397 -5.552 -5.745 1.00 0.28 C ATOM 690 C THR A 44 94.955 -6.822 -6.397 1.00 0.25 C ATOM 691 O THR A 44 94.259 -7.810 -6.539 1.00 0.29 O ATOM 692 CB THR A 44 94.453 -5.647 -4.211 1.00 0.33 C ATOM 693 OG1 THR A 44 95.804 -5.793 -3.799 1.00 0.34 O ATOM 694 CG2 THR A 44 93.637 -6.849 -3.715 1.00 0.36 C ATOM 0 H THR A 44 92.381 -6.230 -5.945 1.00 0.30 H new ATOM 0 HA THR A 44 94.999 -4.721 -6.114 1.00 0.28 H new ATOM 0 HB THR A 44 94.029 -4.737 -3.787 1.00 0.33 H new ATOM 0 HG1 THR A 44 95.843 -5.852 -2.822 1.00 0.34 H new ATOM 0 HG21 THR A 44 93.688 -6.900 -2.627 1.00 0.36 H new ATOM 0 HG22 THR A 44 92.598 -6.736 -4.024 1.00 0.36 H new ATOM 0 HG23 THR A 44 94.044 -7.766 -4.141 1.00 0.36 H new ATOM 702 N LYS A 45 96.204 -6.797 -6.793 1.00 0.21 N ATOM 703 CA LYS A 45 96.806 -7.988 -7.468 1.00 0.21 C ATOM 704 C LYS A 45 98.272 -8.151 -7.060 1.00 0.16 C ATOM 705 O LYS A 45 99.006 -7.184 -6.961 1.00 0.20 O ATOM 706 CB LYS A 45 96.692 -7.692 -8.964 1.00 0.29 C ATOM 707 CG LYS A 45 97.053 -8.948 -9.762 1.00 1.04 C ATOM 708 CD LYS A 45 96.941 -8.652 -11.259 1.00 1.02 C ATOM 709 CE LYS A 45 97.159 -9.941 -12.053 1.00 1.85 C ATOM 710 NZ LYS A 45 97.524 -9.491 -13.426 1.00 2.29 N ATOM 0 H LYS A 45 96.833 -6.002 -6.678 1.00 0.21 H new ATOM 0 HA LYS A 45 96.302 -8.915 -7.195 1.00 0.21 H new ATOM 0 HB2 LYS A 45 95.678 -7.373 -9.206 1.00 0.29 H new ATOM 0 HB3 LYS A 45 97.357 -6.872 -9.235 1.00 0.29 H new ATOM 0 HG2 LYS A 45 98.066 -9.268 -9.519 1.00 1.04 H new ATOM 0 HG3 LYS A 45 96.387 -9.767 -9.492 1.00 1.04 H new ATOM 0 HD2 LYS A 45 95.960 -8.235 -11.485 1.00 1.02 H new ATOM 0 HD3 LYS A 45 97.680 -7.905 -11.549 1.00 1.02 H new ATOM 0 HE2 LYS A 45 97.951 -10.547 -11.613 1.00 1.85 H new ATOM 0 HE3 LYS A 45 96.258 -10.554 -12.065 1.00 1.85 H new ATOM 0 HZ1 LYS A 45 97.689 -10.321 -14.031 1.00 2.29 H new ATOM 0 HZ2 LYS A 45 96.749 -8.922 -13.823 1.00 2.29 H new ATOM 0 HZ3 LYS A 45 98.389 -8.915 -13.384 1.00 2.29 H new ATOM 724 N SER A 46 98.699 -9.367 -6.823 1.00 0.14 N ATOM 725 CA SER A 46 100.132 -9.614 -6.474 1.00 0.11 C ATOM 726 C SER A 46 100.912 -10.022 -7.725 1.00 0.12 C ATOM 727 O SER A 46 100.611 -11.021 -8.354 1.00 0.16 O ATOM 728 CB SER A 46 100.102 -10.758 -5.461 1.00 0.14 C ATOM 729 OG SER A 46 99.661 -11.946 -6.106 1.00 0.17 O ATOM 0 H SER A 46 98.114 -10.202 -6.856 1.00 0.14 H new ATOM 0 HA SER A 46 100.620 -8.727 -6.069 1.00 0.11 H new ATOM 0 HB2 SER A 46 101.094 -10.908 -5.036 1.00 0.14 H new ATOM 0 HB3 SER A 46 99.435 -10.510 -4.635 1.00 0.14 H new ATOM 0 HG SER A 46 99.758 -11.847 -7.076 1.00 0.17 H new ATOM 735 N ILE A 47 101.914 -9.257 -8.088 1.00 0.11 N ATOM 736 CA ILE A 47 102.700 -9.568 -9.322 1.00 0.14 C ATOM 737 C ILE A 47 104.195 -9.557 -8.992 1.00 0.13 C ATOM 738 O ILE A 47 104.695 -8.627 -8.385 1.00 0.12 O ATOM 739 CB ILE A 47 102.355 -8.453 -10.323 1.00 0.17 C ATOM 740 CG1 ILE A 47 100.843 -8.441 -10.596 1.00 0.20 C ATOM 741 CG2 ILE A 47 103.096 -8.693 -11.643 1.00 0.21 C ATOM 742 CD1 ILE A 47 100.468 -7.167 -11.359 1.00 0.25 C ATOM 0 H ILE A 47 102.222 -8.428 -7.580 1.00 0.11 H new ATOM 0 HA ILE A 47 102.463 -10.551 -9.729 1.00 0.14 H new ATOM 0 HB ILE A 47 102.658 -7.496 -9.898 1.00 0.17 H new ATOM 0 HG12 ILE A 47 100.561 -9.320 -11.175 1.00 0.20 H new ATOM 0 HG13 ILE A 47 100.293 -8.489 -9.656 1.00 0.20 H new ATOM 0 HG21 ILE A 47 102.848 -7.900 -12.349 1.00 0.21 H new ATOM 0 HG22 ILE A 47 104.171 -8.695 -11.462 1.00 0.21 H new ATOM 0 HG23 ILE A 47 102.797 -9.655 -12.058 1.00 0.21 H new ATOM 0 HD11 ILE A 47 99.395 -7.161 -11.552 1.00 0.25 H new ATOM 0 HD12 ILE A 47 100.735 -6.294 -10.763 1.00 0.25 H new ATOM 0 HD13 ILE A 47 101.007 -7.138 -12.306 1.00 0.25 H new ATOM 754 N VAL A 48 104.909 -10.583 -9.385 1.00 0.16 N ATOM 755 CA VAL A 48 106.388 -10.600 -9.153 1.00 0.15 C ATOM 756 C VAL A 48 107.058 -9.611 -10.113 1.00 0.15 C ATOM 757 O VAL A 48 106.731 -9.553 -11.281 1.00 0.17 O ATOM 758 CB VAL A 48 106.851 -12.041 -9.434 1.00 0.20 C ATOM 759 CG1 VAL A 48 108.347 -12.176 -9.111 1.00 0.21 C ATOM 760 CG2 VAL A 48 106.042 -13.038 -8.582 1.00 0.23 C ATOM 0 H VAL A 48 104.534 -11.407 -9.855 1.00 0.16 H new ATOM 0 HA VAL A 48 106.651 -10.306 -8.137 1.00 0.15 H new ATOM 0 HB VAL A 48 106.686 -12.265 -10.488 1.00 0.20 H new ATOM 0 HG11 VAL A 48 108.672 -13.197 -9.311 1.00 0.21 H new ATOM 0 HG12 VAL A 48 108.917 -11.486 -9.733 1.00 0.21 H new ATOM 0 HG13 VAL A 48 108.515 -11.941 -8.060 1.00 0.21 H new ATOM 0 HG21 VAL A 48 106.380 -14.053 -8.791 1.00 0.23 H new ATOM 0 HG22 VAL A 48 106.190 -12.817 -7.525 1.00 0.23 H new ATOM 0 HG23 VAL A 48 104.983 -12.950 -8.827 1.00 0.23 H new ATOM 770 N THR A 49 107.993 -8.837 -9.623 1.00 0.13 N ATOM 771 CA THR A 49 108.588 -7.741 -10.457 1.00 0.13 C ATOM 772 C THR A 49 109.319 -8.304 -11.682 1.00 0.15 C ATOM 773 O THR A 49 109.475 -7.624 -12.679 1.00 0.17 O ATOM 774 CB THR A 49 109.569 -7.005 -9.538 1.00 0.15 C ATOM 775 OG1 THR A 49 110.525 -7.928 -9.039 1.00 0.18 O ATOM 776 CG2 THR A 49 108.810 -6.368 -8.372 1.00 0.17 C ATOM 0 H THR A 49 108.373 -8.915 -8.680 1.00 0.13 H new ATOM 0 HA THR A 49 107.813 -7.077 -10.841 1.00 0.13 H new ATOM 0 HB THR A 49 110.076 -6.222 -10.101 1.00 0.15 H new ATOM 0 HG1 THR A 49 110.146 -8.410 -8.275 1.00 0.18 H new ATOM 0 HG21 THR A 49 109.513 -5.846 -7.722 1.00 0.17 H new ATOM 0 HG22 THR A 49 108.078 -5.659 -8.758 1.00 0.17 H new ATOM 0 HG23 THR A 49 108.298 -7.144 -7.804 1.00 0.17 H new ATOM 784 N LYS A 50 109.768 -9.535 -11.618 1.00 0.17 N ATOM 785 CA LYS A 50 110.576 -10.105 -12.749 1.00 0.21 C ATOM 786 C LYS A 50 109.778 -10.069 -14.059 1.00 0.21 C ATOM 787 O LYS A 50 110.349 -10.041 -15.134 1.00 0.23 O ATOM 788 CB LYS A 50 110.887 -11.558 -12.353 1.00 0.23 C ATOM 789 CG LYS A 50 111.752 -11.597 -11.084 1.00 1.23 C ATOM 790 CD LYS A 50 111.909 -13.047 -10.621 1.00 1.67 C ATOM 791 CE LYS A 50 112.639 -13.076 -9.276 1.00 2.45 C ATOM 792 NZ LYS A 50 112.563 -14.495 -8.830 1.00 2.93 N ATOM 0 H LYS A 50 109.612 -10.170 -10.835 1.00 0.17 H new ATOM 0 HA LYS A 50 111.486 -9.529 -12.916 1.00 0.21 H new ATOM 0 HB2 LYS A 50 109.958 -12.102 -12.183 1.00 0.23 H new ATOM 0 HB3 LYS A 50 111.406 -12.060 -13.169 1.00 0.23 H new ATOM 0 HG2 LYS A 50 112.730 -11.159 -11.284 1.00 1.23 H new ATOM 0 HG3 LYS A 50 111.290 -11.000 -10.297 1.00 1.23 H new ATOM 0 HD2 LYS A 50 110.931 -13.518 -10.526 1.00 1.67 H new ATOM 0 HD3 LYS A 50 112.467 -13.619 -11.362 1.00 1.67 H new ATOM 0 HE2 LYS A 50 113.674 -12.750 -9.381 1.00 2.45 H new ATOM 0 HE3 LYS A 50 112.166 -12.409 -8.555 1.00 2.45 H new ATOM 0 HZ1 LYS A 50 113.042 -14.597 -7.913 1.00 2.93 H new ATOM 0 HZ2 LYS A 50 111.566 -14.775 -8.733 1.00 2.93 H new ATOM 0 HZ3 LYS A 50 113.027 -15.105 -9.533 1.00 2.93 H new ATOM 806 N ASP A 51 108.468 -10.069 -13.979 1.00 0.18 N ATOM 807 CA ASP A 51 107.646 -9.940 -15.224 1.00 0.20 C ATOM 808 C ASP A 51 107.359 -8.462 -15.554 1.00 0.16 C ATOM 809 O ASP A 51 106.517 -8.168 -16.383 1.00 0.17 O ATOM 810 CB ASP A 51 106.344 -10.717 -14.959 1.00 0.21 C ATOM 811 CG ASP A 51 105.589 -10.138 -13.755 1.00 0.18 C ATOM 812 OD1 ASP A 51 105.325 -8.946 -13.755 1.00 0.17 O ATOM 813 OD2 ASP A 51 105.280 -10.902 -12.856 1.00 0.23 O ATOM 0 H ASP A 51 107.936 -10.152 -13.113 1.00 0.18 H new ATOM 0 HA ASP A 51 108.175 -10.343 -16.088 1.00 0.20 H new ATOM 0 HB2 ASP A 51 105.708 -10.679 -15.843 1.00 0.21 H new ATOM 0 HB3 ASP A 51 106.574 -11.767 -14.777 1.00 0.21 H new ATOM 818 N ILE A 52 108.045 -7.532 -14.918 1.00 0.14 N ATOM 819 CA ILE A 52 107.914 -6.095 -15.328 1.00 0.12 C ATOM 820 C ILE A 52 108.720 -5.848 -16.608 1.00 0.13 C ATOM 821 O ILE A 52 109.935 -5.917 -16.608 1.00 0.15 O ATOM 822 CB ILE A 52 108.483 -5.269 -14.159 1.00 0.13 C ATOM 823 CG1 ILE A 52 107.603 -5.470 -12.914 1.00 0.14 C ATOM 824 CG2 ILE A 52 108.517 -3.774 -14.534 1.00 0.13 C ATOM 825 CD1 ILE A 52 108.254 -4.791 -11.703 1.00 0.16 C ATOM 0 H ILE A 52 108.683 -7.707 -14.141 1.00 0.14 H new ATOM 0 HA ILE A 52 106.880 -5.821 -15.535 1.00 0.12 H new ATOM 0 HB ILE A 52 109.498 -5.603 -13.946 1.00 0.13 H new ATOM 0 HG12 ILE A 52 106.611 -5.052 -13.087 1.00 0.14 H new ATOM 0 HG13 ILE A 52 107.471 -6.534 -12.719 1.00 0.14 H new ATOM 0 HG21 ILE A 52 108.921 -3.199 -13.701 1.00 0.13 H new ATOM 0 HG22 ILE A 52 109.148 -3.633 -15.412 1.00 0.13 H new ATOM 0 HG23 ILE A 52 107.506 -3.431 -14.755 1.00 0.13 H new ATOM 0 HD11 ILE A 52 107.627 -4.936 -10.824 1.00 0.16 H new ATOM 0 HD12 ILE A 52 109.236 -5.229 -11.525 1.00 0.16 H new ATOM 0 HD13 ILE A 52 108.363 -3.724 -11.899 1.00 0.16 H new ATOM 837 N LYS A 53 108.045 -5.562 -17.694 1.00 0.12 N ATOM 838 CA LYS A 53 108.764 -5.135 -18.933 1.00 0.15 C ATOM 839 C LYS A 53 109.148 -3.656 -18.833 1.00 0.14 C ATOM 840 O LYS A 53 110.228 -3.262 -19.236 1.00 0.17 O ATOM 841 CB LYS A 53 107.777 -5.362 -20.081 1.00 0.16 C ATOM 842 CG LYS A 53 108.461 -5.076 -21.422 1.00 0.22 C ATOM 843 CD LYS A 53 109.472 -6.184 -21.730 1.00 1.03 C ATOM 844 CE LYS A 53 110.088 -5.945 -23.110 1.00 1.18 C ATOM 845 NZ LYS A 53 111.167 -6.965 -23.231 1.00 1.92 N ATOM 0 H LYS A 53 107.029 -5.606 -17.776 1.00 0.12 H new ATOM 0 HA LYS A 53 109.686 -5.696 -19.085 1.00 0.15 H new ATOM 0 HB2 LYS A 53 107.412 -6.389 -20.061 1.00 0.16 H new ATOM 0 HB3 LYS A 53 106.910 -4.713 -19.960 1.00 0.16 H new ATOM 0 HG2 LYS A 53 107.717 -5.018 -22.216 1.00 0.22 H new ATOM 0 HG3 LYS A 53 108.965 -4.110 -21.386 1.00 0.22 H new ATOM 0 HD2 LYS A 53 110.253 -6.200 -20.970 1.00 1.03 H new ATOM 0 HD3 LYS A 53 108.981 -7.157 -21.703 1.00 1.03 H new ATOM 0 HE2 LYS A 53 109.345 -6.060 -23.899 1.00 1.18 H new ATOM 0 HE3 LYS A 53 110.488 -4.935 -23.194 1.00 1.18 H new ATOM 0 HZ1 LYS A 53 111.637 -6.865 -24.153 1.00 1.92 H new ATOM 0 HZ2 LYS A 53 111.863 -6.826 -22.471 1.00 1.92 H new ATOM 0 HZ3 LYS A 53 110.755 -7.917 -23.154 1.00 1.92 H new ATOM 859 N ASP A 54 108.271 -2.838 -18.298 1.00 0.13 N ATOM 860 CA ASP A 54 108.545 -1.359 -18.265 1.00 0.14 C ATOM 861 C ASP A 54 107.800 -0.692 -17.105 1.00 0.13 C ATOM 862 O ASP A 54 106.738 -1.130 -16.711 1.00 0.14 O ATOM 863 CB ASP A 54 108.028 -0.812 -19.599 1.00 0.15 C ATOM 864 CG ASP A 54 108.938 -1.279 -20.739 1.00 0.17 C ATOM 865 OD1 ASP A 54 110.141 -1.119 -20.614 1.00 0.66 O ATOM 866 OD2 ASP A 54 108.415 -1.787 -21.717 1.00 0.62 O ATOM 0 H ASP A 54 107.383 -3.125 -17.885 1.00 0.13 H new ATOM 0 HA ASP A 54 109.607 -1.158 -18.122 1.00 0.14 H new ATOM 0 HB2 ASP A 54 107.008 -1.155 -19.772 1.00 0.15 H new ATOM 0 HB3 ASP A 54 107.998 0.277 -19.569 1.00 0.15 H new ATOM 871 N LEU A 55 108.354 0.369 -16.564 1.00 0.16 N ATOM 872 CA LEU A 55 107.726 1.033 -15.378 1.00 0.15 C ATOM 873 C LEU A 55 107.554 2.537 -15.618 1.00 0.16 C ATOM 874 O LEU A 55 108.378 3.172 -16.250 1.00 0.18 O ATOM 875 CB LEU A 55 108.707 0.803 -14.226 1.00 0.16 C ATOM 876 CG LEU A 55 108.591 -0.639 -13.729 1.00 0.18 C ATOM 877 CD1 LEU A 55 109.907 -1.063 -13.075 1.00 0.21 C ATOM 878 CD2 LEU A 55 107.461 -0.734 -12.701 1.00 0.21 C ATOM 0 H LEU A 55 109.216 0.804 -16.894 1.00 0.16 H new ATOM 0 HA LEU A 55 106.735 0.628 -15.173 1.00 0.15 H new ATOM 0 HB2 LEU A 55 109.726 1.002 -14.558 1.00 0.16 H new ATOM 0 HB3 LEU A 55 108.496 1.496 -13.412 1.00 0.16 H new ATOM 0 HG LEU A 55 108.376 -1.296 -14.572 1.00 0.18 H new ATOM 0 HD11 LEU A 55 109.823 -2.091 -12.721 1.00 0.21 H new ATOM 0 HD12 LEU A 55 110.714 -0.995 -13.804 1.00 0.21 H new ATOM 0 HD13 LEU A 55 110.123 -0.406 -12.233 1.00 0.21 H new ATOM 0 HD21 LEU A 55 107.377 -1.761 -12.346 1.00 0.21 H new ATOM 0 HD22 LEU A 55 107.678 -0.076 -11.860 1.00 0.21 H new ATOM 0 HD23 LEU A 55 106.521 -0.433 -13.164 1.00 0.21 H new ATOM 890 N ARG A 56 106.483 3.104 -15.116 1.00 0.16 N ATOM 891 CA ARG A 56 106.322 4.590 -15.140 1.00 0.17 C ATOM 892 C ARG A 56 105.548 5.050 -13.896 1.00 0.18 C ATOM 893 O ARG A 56 104.846 4.273 -13.276 1.00 0.16 O ATOM 894 CB ARG A 56 105.541 4.898 -16.428 1.00 0.17 C ATOM 895 CG ARG A 56 104.135 4.284 -16.366 1.00 0.18 C ATOM 896 CD ARG A 56 103.344 4.663 -17.622 1.00 0.35 C ATOM 897 NE ARG A 56 103.951 3.859 -18.730 1.00 0.88 N ATOM 898 CZ ARG A 56 104.902 4.343 -19.510 1.00 1.05 C ATOM 899 NH1 ARG A 56 105.401 5.548 -19.337 1.00 1.20 N ATOM 900 NH2 ARG A 56 105.368 3.599 -20.476 1.00 1.47 N ATOM 0 H ARG A 56 105.709 2.596 -14.688 1.00 0.16 H new ATOM 0 HA ARG A 56 107.278 5.113 -15.128 1.00 0.17 H new ATOM 0 HB2 ARG A 56 105.467 5.977 -16.566 1.00 0.17 H new ATOM 0 HB3 ARG A 56 106.079 4.503 -17.290 1.00 0.17 H new ATOM 0 HG2 ARG A 56 104.206 3.199 -16.284 1.00 0.18 H new ATOM 0 HG3 ARG A 56 103.613 4.638 -15.477 1.00 0.18 H new ATOM 0 HD2 ARG A 56 102.285 4.433 -17.504 1.00 0.35 H new ATOM 0 HD3 ARG A 56 103.418 5.731 -17.826 1.00 0.35 H new ATOM 0 HE ARG A 56 103.620 2.907 -18.888 1.00 0.88 H new ATOM 0 HH11 ARG A 56 105.054 6.140 -18.582 1.00 1.20 H new ATOM 0 HH12 ARG A 56 106.135 5.890 -19.958 1.00 1.20 H new ATOM 0 HH21 ARG A 56 104.998 2.659 -20.620 1.00 1.47 H new ATOM 0 HH22 ARG A 56 106.102 3.957 -21.087 1.00 1.47 H new ATOM 914 N ILE A 57 105.673 6.302 -13.534 1.00 0.21 N ATOM 915 CA ILE A 57 104.891 6.833 -12.371 1.00 0.22 C ATOM 916 C ILE A 57 103.875 7.867 -12.872 1.00 0.27 C ATOM 917 O ILE A 57 104.216 8.776 -13.607 1.00 0.32 O ATOM 918 CB ILE A 57 105.925 7.486 -11.438 1.00 0.27 C ATOM 919 CG1 ILE A 57 106.971 6.448 -11.005 1.00 0.26 C ATOM 920 CG2 ILE A 57 105.218 8.028 -10.192 1.00 0.29 C ATOM 921 CD1 ILE A 57 108.193 7.160 -10.419 1.00 0.34 C ATOM 0 H ILE A 57 106.282 6.980 -13.992 1.00 0.21 H new ATOM 0 HA ILE A 57 104.334 6.053 -11.851 1.00 0.22 H new ATOM 0 HB ILE A 57 106.418 8.299 -11.971 1.00 0.27 H new ATOM 0 HG12 ILE A 57 106.542 5.772 -10.265 1.00 0.26 H new ATOM 0 HG13 ILE A 57 107.268 5.839 -11.859 1.00 0.26 H new ATOM 0 HG21 ILE A 57 105.950 8.491 -9.531 1.00 0.29 H new ATOM 0 HG22 ILE A 57 104.477 8.770 -10.488 1.00 0.29 H new ATOM 0 HG23 ILE A 57 104.723 7.209 -9.669 1.00 0.29 H new ATOM 0 HD11 ILE A 57 108.933 6.420 -10.113 1.00 0.34 H new ATOM 0 HD12 ILE A 57 108.627 7.817 -11.172 1.00 0.34 H new ATOM 0 HD13 ILE A 57 107.890 7.750 -9.554 1.00 0.34 H new ATOM 933 N LEU A 58 102.631 7.733 -12.477 1.00 0.27 N ATOM 934 CA LEU A 58 101.573 8.659 -12.992 1.00 0.35 C ATOM 935 C LEU A 58 101.504 9.919 -12.112 1.00 0.44 C ATOM 936 O LEU A 58 101.745 9.841 -10.922 1.00 0.47 O ATOM 937 CB LEU A 58 100.258 7.874 -12.907 1.00 0.37 C ATOM 938 CG LEU A 58 100.341 6.608 -13.771 1.00 0.40 C ATOM 939 CD1 LEU A 58 99.133 5.715 -13.485 1.00 0.52 C ATOM 940 CD2 LEU A 58 100.349 6.991 -15.252 1.00 0.48 C ATOM 0 H LEU A 58 102.303 7.024 -11.821 1.00 0.27 H new ATOM 0 HA LEU A 58 101.778 8.986 -14.011 1.00 0.35 H new ATOM 0 HB2 LEU A 58 100.053 7.604 -11.871 1.00 0.37 H new ATOM 0 HB3 LEU A 58 99.430 8.499 -13.243 1.00 0.37 H new ATOM 0 HG LEU A 58 101.259 6.071 -13.532 1.00 0.40 H new ATOM 0 HD11 LEU A 58 99.192 4.816 -14.098 1.00 0.52 H new ATOM 0 HD12 LEU A 58 99.128 5.436 -12.431 1.00 0.52 H new ATOM 0 HD13 LEU A 58 98.217 6.256 -13.721 1.00 0.52 H new ATOM 0 HD21 LEU A 58 100.408 6.089 -15.861 1.00 0.48 H new ATOM 0 HD22 LEU A 58 99.434 7.532 -15.493 1.00 0.48 H new ATOM 0 HD23 LEU A 58 101.211 7.625 -15.459 1.00 0.48 H new ATOM 952 N PRO A 59 101.178 11.048 -12.718 1.00 0.66 N ATOM 953 CA PRO A 59 101.117 12.322 -11.954 1.00 0.78 C ATOM 954 C PRO A 59 99.927 12.309 -10.989 1.00 0.73 C ATOM 955 O PRO A 59 98.784 12.235 -11.403 1.00 1.20 O ATOM 956 CB PRO A 59 100.930 13.390 -13.032 1.00 1.11 C ATOM 957 CG PRO A 59 100.358 12.669 -14.209 1.00 1.15 C ATOM 958 CD PRO A 59 100.841 11.245 -14.139 1.00 0.91 C ATOM 0 HA PRO A 59 102.004 12.495 -11.345 1.00 0.78 H new ATOM 0 HB2 PRO A 59 100.260 14.179 -12.691 1.00 1.11 H new ATOM 0 HB3 PRO A 59 101.879 13.864 -13.284 1.00 1.11 H new ATOM 0 HG2 PRO A 59 99.269 12.707 -14.191 1.00 1.15 H new ATOM 0 HG3 PRO A 59 100.678 13.138 -15.140 1.00 1.15 H new ATOM 0 HD2 PRO A 59 100.071 10.547 -14.466 1.00 0.91 H new ATOM 0 HD3 PRO A 59 101.708 11.086 -14.780 1.00 0.91 H new ATOM 966 N LYS A 60 100.191 12.379 -9.706 1.00 1.24 N ATOM 967 CA LYS A 60 99.077 12.411 -8.702 1.00 1.46 C ATOM 968 C LYS A 60 98.296 13.724 -8.821 1.00 1.92 C ATOM 969 O LYS A 60 97.084 13.744 -8.716 1.00 2.35 O ATOM 970 CB LYS A 60 99.755 12.315 -7.332 1.00 2.16 C ATOM 971 CG LYS A 60 100.419 10.943 -7.184 1.00 2.63 C ATOM 972 CD LYS A 60 100.995 10.805 -5.773 1.00 3.56 C ATOM 973 CE LYS A 60 101.763 9.486 -5.661 1.00 4.22 C ATOM 974 NZ LYS A 60 102.020 9.313 -4.205 1.00 4.84 N ATOM 0 H LYS A 60 101.130 12.415 -9.309 1.00 1.24 H new ATOM 0 HA LYS A 60 98.367 11.599 -8.857 1.00 1.46 H new ATOM 0 HB2 LYS A 60 100.500 13.104 -7.227 1.00 2.16 H new ATOM 0 HB3 LYS A 60 99.021 12.462 -6.540 1.00 2.16 H new ATOM 0 HG2 LYS A 60 99.692 10.153 -7.370 1.00 2.63 H new ATOM 0 HG3 LYS A 60 101.211 10.828 -7.924 1.00 2.63 H new ATOM 0 HD2 LYS A 60 101.657 11.643 -5.556 1.00 3.56 H new ATOM 0 HD3 LYS A 60 100.192 10.834 -5.037 1.00 3.56 H new ATOM 0 HE2 LYS A 60 101.181 8.655 -6.061 1.00 4.22 H new ATOM 0 HE3 LYS A 60 102.695 9.523 -6.225 1.00 4.22 H new ATOM 0 HZ1 LYS A 60 102.544 8.428 -4.048 1.00 4.84 H new ATOM 0 HZ2 LYS A 60 102.581 10.115 -3.854 1.00 4.84 H new ATOM 0 HZ3 LYS A 60 101.115 9.274 -3.695 1.00 4.84 H new ATOM 988 N ASN A 61 98.989 14.815 -9.040 1.00 2.65 N ATOM 989 CA ASN A 61 98.302 16.136 -9.177 1.00 3.49 C ATOM 990 C ASN A 61 99.190 17.111 -9.958 1.00 4.04 C ATOM 991 O ASN A 61 100.372 16.879 -10.130 1.00 4.68 O ATOM 992 CB ASN A 61 98.097 16.626 -7.743 1.00 4.38 C ATOM 993 CG ASN A 61 97.205 17.869 -7.748 1.00 5.11 C ATOM 994 OD1 ASN A 61 97.678 18.971 -7.556 1.00 5.51 O ATOM 995 ND2 ASN A 61 95.924 17.738 -7.962 1.00 5.71 N ATOM 0 H ASN A 61 100.005 14.847 -9.130 1.00 2.65 H new ATOM 0 HA ASN A 61 97.359 16.060 -9.719 1.00 3.49 H new ATOM 0 HB2 ASN A 61 97.640 15.840 -7.141 1.00 4.38 H new ATOM 0 HB3 ASN A 61 99.059 16.858 -7.286 1.00 4.38 H new ATOM 0 HD21 ASN A 61 95.321 18.561 -7.968 1.00 5.71 H new ATOM 0 HD22 ASN A 61 95.526 16.813 -8.123 1.00 5.71 H new ATOM 1002 N GLU A 62 98.625 18.195 -10.430 1.00 4.26 N ATOM 1003 CA GLU A 62 99.429 19.197 -11.193 1.00 5.19 C ATOM 1004 C GLU A 62 99.783 20.386 -10.295 1.00 5.85 C ATOM 1005 O GLU A 62 98.916 21.009 -9.709 1.00 6.23 O ATOM 1006 CB GLU A 62 98.522 19.642 -12.341 1.00 5.61 C ATOM 1007 CG GLU A 62 99.326 20.492 -13.330 1.00 6.03 C ATOM 1008 CD GLU A 62 100.296 19.601 -14.113 1.00 6.06 C ATOM 1009 OE1 GLU A 62 99.925 18.481 -14.427 1.00 6.00 O ATOM 1010 OE2 GLU A 62 101.395 20.055 -14.385 1.00 6.48 O ATOM 0 H GLU A 62 97.638 18.429 -10.319 1.00 4.26 H new ATOM 0 HA GLU A 62 100.370 18.782 -11.555 1.00 5.19 H new ATOM 0 HB2 GLU A 62 98.106 18.771 -12.848 1.00 5.61 H new ATOM 0 HB3 GLU A 62 97.681 20.216 -11.952 1.00 5.61 H new ATOM 0 HG2 GLU A 62 98.651 21.002 -14.017 1.00 6.03 H new ATOM 0 HG3 GLU A 62 99.879 21.264 -12.794 1.00 6.03 H new ATOM 1017 N ILE A 63 101.051 20.700 -10.185 1.00 6.34 N ATOM 1018 CA ILE A 63 101.478 21.845 -9.316 1.00 7.31 C ATOM 1019 C ILE A 63 101.138 23.175 -10.003 1.00 8.02 C ATOM 1020 O ILE A 63 100.796 24.146 -9.352 1.00 8.23 O ATOM 1021 CB ILE A 63 103.000 21.692 -9.141 1.00 7.68 C ATOM 1022 CG1 ILE A 63 103.314 20.341 -8.483 1.00 7.81 C ATOM 1023 CG2 ILE A 63 103.536 22.817 -8.247 1.00 8.33 C ATOM 1024 CD1 ILE A 63 104.816 20.060 -8.580 1.00 8.39 C ATOM 0 H ILE A 63 101.811 20.213 -10.660 1.00 6.34 H new ATOM 0 HA ILE A 63 100.969 21.841 -8.352 1.00 7.31 H new ATOM 0 HB ILE A 63 103.474 21.743 -10.121 1.00 7.68 H new ATOM 0 HG12 ILE A 63 103.003 20.353 -7.439 1.00 7.81 H new ATOM 0 HG13 ILE A 63 102.753 19.546 -8.974 1.00 7.81 H new ATOM 0 HG21 ILE A 63 104.613 22.704 -8.126 1.00 8.33 H new ATOM 0 HG22 ILE A 63 103.322 23.781 -8.708 1.00 8.33 H new ATOM 0 HG23 ILE A 63 103.054 22.766 -7.270 1.00 8.33 H new ATOM 0 HD11 ILE A 63 105.038 19.101 -8.112 1.00 8.39 H new ATOM 0 HD12 ILE A 63 105.114 20.030 -9.628 1.00 8.39 H new ATOM 0 HD13 ILE A 63 105.368 20.849 -8.068 1.00 8.39 H new ATOM 1036 N MET A 64 101.231 23.220 -11.310 1.00 8.65 N ATOM 1037 CA MET A 64 100.960 24.493 -12.045 1.00 9.57 C ATOM 1038 C MET A 64 99.580 24.437 -12.721 1.00 10.31 C ATOM 1039 O MET A 64 99.032 23.366 -12.898 1.00 10.37 O ATOM 1040 CB MET A 64 102.068 24.584 -13.097 1.00 10.10 C ATOM 1041 CG MET A 64 103.413 24.807 -12.404 1.00 10.29 C ATOM 1042 SD MET A 64 104.754 24.393 -13.547 1.00 10.82 S ATOM 1043 CE MET A 64 105.968 25.574 -12.908 1.00 11.19 C ATOM 0 H MET A 64 101.484 22.427 -11.900 1.00 8.65 H new ATOM 0 HA MET A 64 100.952 25.358 -11.382 1.00 9.57 H new ATOM 0 HB2 MET A 64 102.099 23.669 -13.688 1.00 10.10 H new ATOM 0 HB3 MET A 64 101.862 25.402 -13.787 1.00 10.10 H new ATOM 0 HG2 MET A 64 103.501 25.845 -12.083 1.00 10.29 H new ATOM 0 HG3 MET A 64 103.480 24.189 -11.508 1.00 10.29 H new ATOM 0 HE1 MET A 64 106.893 25.490 -13.479 1.00 11.19 H new ATOM 0 HE2 MET A 64 105.575 26.586 -13.001 1.00 11.19 H new ATOM 0 HE3 MET A 64 106.169 25.358 -11.859 1.00 11.19 H new ATOM 1053 N PRO A 65 99.058 25.596 -13.079 1.00 11.03 N ATOM 1054 CA PRO A 65 97.736 25.653 -13.762 1.00 11.95 C ATOM 1055 C PRO A 65 97.825 25.012 -15.151 1.00 12.68 C ATOM 1056 O PRO A 65 98.875 24.994 -15.768 1.00 13.04 O ATOM 1057 CB PRO A 65 97.435 27.149 -13.867 1.00 12.65 C ATOM 1058 CG PRO A 65 98.758 27.832 -13.724 1.00 12.39 C ATOM 1059 CD PRO A 65 99.632 26.938 -12.889 1.00 11.26 C ATOM 0 HA PRO A 65 96.957 25.111 -13.225 1.00 11.95 H new ATOM 0 HB2 PRO A 65 96.970 27.390 -14.823 1.00 12.65 H new ATOM 0 HB3 PRO A 65 96.743 27.466 -13.087 1.00 12.65 H new ATOM 0 HG2 PRO A 65 99.208 28.007 -14.701 1.00 12.39 H new ATOM 0 HG3 PRO A 65 98.639 28.806 -13.249 1.00 12.39 H new ATOM 0 HD2 PRO A 65 100.671 26.977 -13.217 1.00 11.26 H new ATOM 0 HD3 PRO A 65 99.617 27.233 -11.840 1.00 11.26 H new ATOM 1067 N LYS A 66 96.728 24.489 -15.644 1.00 13.06 N ATOM 1068 CA LYS A 66 96.740 23.831 -16.988 1.00 13.95 C ATOM 1069 C LYS A 66 96.433 24.857 -18.083 1.00 14.46 C ATOM 1070 O LYS A 66 95.396 25.494 -18.074 1.00 14.55 O ATOM 1071 CB LYS A 66 95.640 22.769 -16.924 1.00 14.30 C ATOM 1072 CG LYS A 66 95.712 21.881 -18.168 1.00 14.66 C ATOM 1073 CD LYS A 66 94.573 20.861 -18.134 1.00 15.22 C ATOM 1074 CE LYS A 66 94.682 19.932 -19.346 1.00 15.81 C ATOM 1075 NZ LYS A 66 95.736 18.944 -18.980 1.00 16.32 N ATOM 0 H LYS A 66 95.824 24.490 -15.172 1.00 13.06 H new ATOM 0 HA LYS A 66 97.711 23.396 -17.224 1.00 13.95 H new ATOM 0 HB2 LYS A 66 95.757 22.164 -16.025 1.00 14.30 H new ATOM 0 HB3 LYS A 66 94.662 23.247 -16.862 1.00 14.30 H new ATOM 0 HG2 LYS A 66 95.641 22.492 -19.068 1.00 14.66 H new ATOM 0 HG3 LYS A 66 96.673 21.368 -18.206 1.00 14.66 H new ATOM 0 HD2 LYS A 66 94.618 20.281 -17.213 1.00 15.22 H new ATOM 0 HD3 LYS A 66 93.611 21.374 -18.141 1.00 15.22 H new ATOM 0 HE2 LYS A 66 93.732 19.438 -19.552 1.00 15.81 H new ATOM 0 HE3 LYS A 66 94.955 20.486 -20.245 1.00 15.81 H new ATOM 0 HZ1 LYS A 66 95.751 18.177 -19.682 1.00 16.32 H new ATOM 0 HZ2 LYS A 66 96.663 19.416 -18.962 1.00 16.32 H new ATOM 0 HZ3 LYS A 66 95.530 18.549 -18.040 1.00 16.32 H new ATOM 1089 N ASN A 67 97.333 25.018 -19.025 1.00 14.95 N ATOM 1090 CA ASN A 67 97.093 25.981 -20.145 1.00 15.64 C ATOM 1091 C ASN A 67 96.237 25.327 -21.234 1.00 16.30 C ATOM 1092 O ASN A 67 95.444 25.982 -21.885 1.00 16.50 O ATOM 1093 CB ASN A 67 98.483 26.323 -20.692 1.00 16.04 C ATOM 1094 CG ASN A 67 99.276 27.094 -19.633 1.00 15.83 C ATOM 1095 OD1 ASN A 67 98.725 27.898 -18.907 1.00 15.60 O ATOM 1096 ND2 ASN A 67 100.559 26.880 -19.513 1.00 16.06 N ATOM 0 H ASN A 67 98.224 24.523 -19.065 1.00 14.95 H new ATOM 0 HA ASN A 67 96.559 26.870 -19.810 1.00 15.64 H new ATOM 0 HB2 ASN A 67 99.013 25.410 -20.964 1.00 16.04 H new ATOM 0 HB3 ASN A 67 98.391 26.921 -21.599 1.00 16.04 H new ATOM 0 HD21 ASN A 67 101.097 27.387 -18.811 1.00 16.06 H new ATOM 0 HD22 ASN A 67 101.023 26.205 -20.122 1.00 16.06 H new ATOM 1103 N GLY A 68 96.391 24.038 -21.431 1.00 16.77 N ATOM 1104 CA GLY A 68 95.603 23.328 -22.484 1.00 17.56 C ATOM 1105 C GLY A 68 96.555 22.594 -23.433 1.00 18.14 C ATOM 1106 O GLY A 68 96.245 21.527 -23.930 1.00 18.61 O ATOM 0 H GLY A 68 97.033 23.446 -20.903 1.00 16.77 H new ATOM 0 HA2 GLY A 68 94.916 22.619 -22.022 1.00 17.56 H new ATOM 0 HA3 GLY A 68 94.997 24.042 -23.042 1.00 17.56 H new ATOM 1110 N THR A 69 97.713 23.161 -23.685 1.00 18.22 N ATOM 1111 CA THR A 69 98.700 22.501 -24.600 1.00 18.92 C ATOM 1112 C THR A 69 99.198 21.185 -23.991 1.00 19.22 C ATOM 1113 O THR A 69 99.485 20.236 -24.698 1.00 19.46 O ATOM 1114 CB THR A 69 99.856 23.498 -24.740 1.00 19.09 C ATOM 1115 OG1 THR A 69 99.337 24.774 -25.088 1.00 19.15 O ATOM 1116 CG2 THR A 69 100.817 23.022 -25.831 1.00 19.41 C ATOM 0 H THR A 69 98.017 24.053 -23.296 1.00 18.22 H new ATOM 0 HA THR A 69 98.257 22.256 -25.565 1.00 18.92 H new ATOM 0 HB THR A 69 100.392 23.567 -23.794 1.00 19.09 H new ATOM 0 HG1 THR A 69 100.074 25.414 -25.176 1.00 19.15 H new ATOM 0 HG21 THR A 69 101.638 23.733 -25.928 1.00 19.41 H new ATOM 0 HG22 THR A 69 101.215 22.043 -25.564 1.00 19.41 H new ATOM 0 HG23 THR A 69 100.284 22.951 -26.779 1.00 19.41 H new ATOM 1124 N LYS A 70 99.301 21.126 -22.685 1.00 19.33 N ATOM 1125 CA LYS A 70 99.799 19.879 -22.019 1.00 19.77 C ATOM 1126 C LYS A 70 98.689 18.824 -21.974 1.00 20.27 C ATOM 1127 O LYS A 70 97.516 19.149 -21.959 1.00 20.67 O ATOM 1128 CB LYS A 70 100.197 20.300 -20.600 1.00 20.01 C ATOM 1129 CG LYS A 70 101.357 21.300 -20.659 1.00 19.92 C ATOM 1130 CD LYS A 70 102.630 20.585 -21.116 1.00 20.38 C ATOM 1131 CE LYS A 70 103.820 21.541 -21.009 1.00 20.44 C ATOM 1132 NZ LYS A 70 104.244 21.469 -19.582 1.00 20.90 N ATOM 0 H LYS A 70 99.062 21.888 -22.050 1.00 19.33 H new ATOM 0 HA LYS A 70 100.639 19.439 -22.557 1.00 19.77 H new ATOM 0 HB2 LYS A 70 99.344 20.749 -20.092 1.00 20.01 H new ATOM 0 HB3 LYS A 70 100.489 19.425 -20.020 1.00 20.01 H new ATOM 0 HG2 LYS A 70 101.117 22.111 -21.347 1.00 19.92 H new ATOM 0 HG3 LYS A 70 101.513 21.750 -19.678 1.00 19.92 H new ATOM 0 HD2 LYS A 70 102.804 19.701 -20.502 1.00 20.38 H new ATOM 0 HD3 LYS A 70 102.517 20.241 -22.144 1.00 20.38 H new ATOM 0 HE2 LYS A 70 104.628 21.242 -21.677 1.00 20.44 H new ATOM 0 HE3 LYS A 70 103.537 22.556 -21.286 1.00 20.44 H new ATOM 0 HZ1 LYS A 70 104.482 22.423 -19.242 1.00 20.90 H new ATOM 0 HZ2 LYS A 70 103.468 21.080 -19.009 1.00 20.90 H new ATOM 0 HZ3 LYS A 70 105.078 20.854 -19.498 1.00 20.90 H new ATOM 1146 N SER A 71 99.057 17.566 -21.950 1.00 20.35 N ATOM 1147 CA SER A 71 98.030 16.476 -21.921 1.00 20.96 C ATOM 1148 C SER A 71 97.402 16.375 -20.523 1.00 21.14 C ATOM 1149 O SER A 71 97.951 16.891 -19.569 1.00 21.18 O ATOM 1150 CB SER A 71 98.789 15.192 -22.261 1.00 21.11 C ATOM 1151 OG SER A 71 98.878 15.058 -23.674 1.00 21.16 O ATOM 0 H SER A 71 100.025 17.246 -21.949 1.00 20.35 H new ATOM 0 HA SER A 71 97.218 16.662 -22.624 1.00 20.96 H new ATOM 0 HB2 SER A 71 99.787 15.219 -21.823 1.00 21.11 H new ATOM 0 HB3 SER A 71 98.277 14.330 -21.834 1.00 21.11 H new ATOM 0 HG SER A 71 99.365 14.237 -23.895 1.00 21.16 H new ATOM 1157 N PRO A 72 96.265 15.708 -20.440 1.00 21.37 N ATOM 1158 CA PRO A 72 95.564 15.561 -19.136 1.00 21.71 C ATOM 1159 C PRO A 72 96.396 14.703 -18.174 1.00 21.87 C ATOM 1160 O PRO A 72 97.044 13.756 -18.579 1.00 22.24 O ATOM 1161 CB PRO A 72 94.250 14.862 -19.494 1.00 22.02 C ATOM 1162 CG PRO A 72 94.490 14.221 -20.824 1.00 21.94 C ATOM 1163 CD PRO A 72 95.533 15.042 -21.531 1.00 21.48 C ATOM 0 HA PRO A 72 95.403 16.515 -18.633 1.00 21.71 H new ATOM 0 HB2 PRO A 72 93.983 14.119 -18.742 1.00 22.02 H new ATOM 0 HB3 PRO A 72 93.427 15.575 -19.544 1.00 22.02 H new ATOM 0 HG2 PRO A 72 94.829 13.192 -20.700 1.00 21.94 H new ATOM 0 HG3 PRO A 72 93.569 14.185 -21.406 1.00 21.94 H new ATOM 0 HD2 PRO A 72 96.194 14.416 -22.131 1.00 21.48 H new ATOM 0 HD3 PRO A 72 95.079 15.766 -22.207 1.00 21.48 H new ATOM 1171 N SER A 73 96.377 15.033 -16.903 1.00 21.71 N ATOM 1172 CA SER A 73 97.154 14.235 -15.897 1.00 22.00 C ATOM 1173 C SER A 73 96.584 12.816 -15.789 1.00 22.23 C ATOM 1174 O SER A 73 97.309 11.866 -15.556 1.00 22.49 O ATOM 1175 CB SER A 73 96.987 14.979 -14.571 1.00 21.88 C ATOM 1176 OG SER A 73 97.816 14.375 -13.587 1.00 21.72 O ATOM 0 H SER A 73 95.857 15.821 -16.518 1.00 21.71 H new ATOM 0 HA SER A 73 98.203 14.138 -16.177 1.00 22.00 H new ATOM 0 HB2 SER A 73 97.254 16.029 -14.693 1.00 21.88 H new ATOM 0 HB3 SER A 73 95.945 14.950 -14.253 1.00 21.88 H new ATOM 0 HG SER A 73 97.713 14.850 -12.736 1.00 21.72 H new ATOM 1182 N THR A 74 95.292 12.672 -15.957 1.00 22.25 N ATOM 1183 CA THR A 74 94.658 11.319 -15.867 1.00 22.61 C ATOM 1184 C THR A 74 93.704 11.098 -17.047 1.00 22.55 C ATOM 1185 O THR A 74 93.375 12.023 -17.768 1.00 22.31 O ATOM 1186 CB THR A 74 93.897 11.314 -14.529 1.00 22.82 C ATOM 1187 OG1 THR A 74 93.266 10.054 -14.354 1.00 23.03 O ATOM 1188 CG2 THR A 74 92.835 12.423 -14.508 1.00 22.86 C ATOM 0 H THR A 74 94.646 13.437 -16.153 1.00 22.25 H new ATOM 0 HA THR A 74 95.394 10.516 -15.909 1.00 22.61 H new ATOM 0 HB THR A 74 94.606 11.493 -13.720 1.00 22.82 H new ATOM 0 HG1 THR A 74 92.782 10.046 -13.502 1.00 23.03 H new ATOM 0 HG21 THR A 74 92.308 12.404 -13.554 1.00 22.86 H new ATOM 0 HG22 THR A 74 93.318 13.392 -14.636 1.00 22.86 H new ATOM 0 HG23 THR A 74 92.125 12.262 -15.319 1.00 22.86 H new ATOM 1196 N ASN A 75 93.261 9.880 -17.244 1.00 22.90 N ATOM 1197 CA ASN A 75 92.332 9.586 -18.379 1.00 23.00 C ATOM 1198 C ASN A 75 90.877 9.686 -17.910 1.00 22.91 C ATOM 1199 O ASN A 75 90.474 9.024 -16.971 1.00 23.09 O ATOM 1200 CB ASN A 75 92.660 8.153 -18.806 1.00 23.44 C ATOM 1201 CG ASN A 75 94.072 8.102 -19.394 1.00 23.81 C ATOM 1202 OD1 ASN A 75 94.493 9.014 -20.080 1.00 23.79 O ATOM 1203 ND2 ASN A 75 94.829 7.067 -19.152 1.00 24.24 N ATOM 0 H ASN A 75 93.504 9.075 -16.666 1.00 22.90 H new ATOM 0 HA ASN A 75 92.452 10.291 -19.201 1.00 23.00 H new ATOM 0 HB2 ASN A 75 92.587 7.482 -17.950 1.00 23.44 H new ATOM 0 HB3 ASN A 75 91.935 7.808 -19.544 1.00 23.44 H new ATOM 0 HD21 ASN A 75 95.772 7.024 -19.538 1.00 24.24 H new ATOM 0 HD22 ASN A 75 94.478 6.301 -18.577 1.00 24.24 H new ATOM 1210 N SER A 76 90.092 10.510 -18.560 1.00 22.73 N ATOM 1211 CA SER A 76 88.662 10.672 -18.159 1.00 22.76 C ATOM 1212 C SER A 76 87.794 10.941 -19.391 1.00 22.85 C ATOM 1213 O SER A 76 88.294 11.288 -20.446 1.00 22.88 O ATOM 1214 CB SER A 76 88.650 11.878 -17.221 1.00 22.81 C ATOM 1215 OG SER A 76 88.986 13.047 -17.956 1.00 22.91 O ATOM 0 H SER A 76 90.383 11.079 -19.355 1.00 22.73 H new ATOM 0 HA SER A 76 88.263 9.778 -17.680 1.00 22.76 H new ATOM 0 HB2 SER A 76 87.666 11.990 -16.767 1.00 22.81 H new ATOM 0 HB3 SER A 76 89.361 11.728 -16.408 1.00 22.81 H new ATOM 0 HG SER A 76 89.874 13.361 -17.684 1.00 22.91 H new ATOM 1221 N THR A 77 86.500 10.783 -19.262 1.00 22.99 N ATOM 1222 CA THR A 77 85.588 11.024 -20.424 1.00 23.20 C ATOM 1223 C THR A 77 85.242 12.514 -20.526 1.00 23.37 C ATOM 1224 O THR A 77 85.552 13.162 -21.509 1.00 23.49 O ATOM 1225 CB THR A 77 84.332 10.198 -20.131 1.00 23.32 C ATOM 1226 OG1 THR A 77 84.709 8.874 -19.780 1.00 23.35 O ATOM 1227 CG2 THR A 77 83.439 10.164 -21.372 1.00 23.37 C ATOM 0 H THR A 77 86.035 10.497 -18.401 1.00 22.99 H new ATOM 0 HA THR A 77 86.047 10.739 -21.371 1.00 23.20 H new ATOM 0 HB THR A 77 83.784 10.651 -19.305 1.00 23.32 H new ATOM 0 HG1 THR A 77 83.906 8.345 -19.591 1.00 23.35 H new ATOM 0 HG21 THR A 77 82.546 9.576 -21.162 1.00 23.37 H new ATOM 0 HG22 THR A 77 83.150 11.180 -21.640 1.00 23.37 H new ATOM 0 HG23 THR A 77 83.984 9.712 -22.200 1.00 23.37 H new ATOM 1235 N LYS A 78 84.605 13.056 -19.516 1.00 23.50 N ATOM 1236 CA LYS A 78 84.230 14.503 -19.545 1.00 23.79 C ATOM 1237 C LYS A 78 84.461 15.141 -18.171 1.00 23.71 C ATOM 1238 O LYS A 78 84.211 14.531 -17.147 1.00 23.47 O ATOM 1239 CB LYS A 78 82.743 14.523 -19.902 1.00 23.99 C ATOM 1240 CG LYS A 78 82.552 14.026 -21.336 1.00 24.25 C ATOM 1241 CD LYS A 78 81.107 14.274 -21.778 1.00 24.59 C ATOM 1242 CE LYS A 78 80.172 13.308 -21.045 1.00 24.80 C ATOM 1243 NZ LYS A 78 78.841 13.505 -21.683 1.00 25.06 N ATOM 0 H LYS A 78 84.328 12.556 -18.671 1.00 23.50 H new ATOM 0 HA LYS A 78 84.828 15.067 -20.260 1.00 23.79 H new ATOM 0 HB2 LYS A 78 82.184 13.892 -19.211 1.00 23.99 H new ATOM 0 HB3 LYS A 78 82.348 15.534 -19.801 1.00 23.99 H new ATOM 0 HG2 LYS A 78 83.241 14.542 -22.005 1.00 24.25 H new ATOM 0 HG3 LYS A 78 82.784 12.963 -21.397 1.00 24.25 H new ATOM 0 HD2 LYS A 78 80.822 15.304 -21.564 1.00 24.59 H new ATOM 0 HD3 LYS A 78 81.017 14.136 -22.855 1.00 24.59 H new ATOM 0 HE2 LYS A 78 80.510 12.277 -21.147 1.00 24.80 H new ATOM 0 HE3 LYS A 78 80.135 13.527 -19.978 1.00 24.80 H new ATOM 0 HZ1 LYS A 78 78.144 12.876 -21.234 1.00 25.06 H new ATOM 0 HZ2 LYS A 78 78.542 14.494 -21.564 1.00 25.06 H new ATOM 0 HZ3 LYS A 78 78.906 13.282 -22.697 1.00 25.06 H new ATOM 1257 N LEU A 79 84.935 16.363 -18.147 1.00 24.01 N ATOM 1258 CA LEU A 79 85.153 17.068 -16.846 1.00 24.08 C ATOM 1259 C LEU A 79 84.036 18.089 -16.607 1.00 24.18 C ATOM 1260 O LEU A 79 83.567 18.732 -17.530 1.00 24.24 O ATOM 1261 CB LEU A 79 86.512 17.776 -16.994 1.00 24.38 C ATOM 1262 CG LEU A 79 87.654 16.900 -16.443 1.00 24.39 C ATOM 1263 CD1 LEU A 79 87.457 16.662 -14.942 1.00 24.56 C ATOM 1264 CD2 LEU A 79 87.689 15.552 -17.173 1.00 24.77 C ATOM 0 H LEU A 79 85.181 16.904 -18.976 1.00 24.01 H new ATOM 0 HA LEU A 79 85.145 16.383 -15.998 1.00 24.08 H new ATOM 0 HB2 LEU A 79 86.696 18.001 -18.044 1.00 24.38 H new ATOM 0 HB3 LEU A 79 86.490 18.728 -16.463 1.00 24.38 H new ATOM 0 HG LEU A 79 88.598 17.420 -16.606 1.00 24.39 H new ATOM 0 HD11 LEU A 79 88.269 16.042 -14.562 1.00 24.56 H new ATOM 0 HD12 LEU A 79 87.456 17.618 -14.419 1.00 24.56 H new ATOM 0 HD13 LEU A 79 86.506 16.156 -14.776 1.00 24.56 H new ATOM 0 HD21 LEU A 79 88.500 14.943 -16.774 1.00 24.77 H new ATOM 0 HD22 LEU A 79 86.741 15.034 -17.027 1.00 24.77 H new ATOM 0 HD23 LEU A 79 87.851 15.719 -18.238 1.00 24.77 H new ATOM 1276 N LYS A 80 83.610 18.239 -15.377 1.00 24.29 N ATOM 1277 CA LYS A 80 82.530 19.225 -15.063 1.00 24.51 C ATOM 1278 C LYS A 80 83.145 20.577 -14.688 1.00 24.87 C ATOM 1279 O LYS A 80 84.033 20.653 -13.858 1.00 24.96 O ATOM 1280 CB LYS A 80 81.777 18.627 -13.872 1.00 24.41 C ATOM 1281 CG LYS A 80 80.479 19.404 -13.648 1.00 24.39 C ATOM 1282 CD LYS A 80 79.752 18.842 -12.424 1.00 24.46 C ATOM 1283 CE LYS A 80 78.379 19.505 -12.295 1.00 24.63 C ATOM 1284 NZ LYS A 80 78.042 19.414 -10.848 1.00 24.70 N ATOM 0 H LYS A 80 83.965 17.719 -14.574 1.00 24.29 H new ATOM 0 HA LYS A 80 81.870 19.400 -15.913 1.00 24.51 H new ATOM 0 HB2 LYS A 80 81.557 17.576 -14.058 1.00 24.41 H new ATOM 0 HB3 LYS A 80 82.398 18.669 -12.977 1.00 24.41 H new ATOM 0 HG2 LYS A 80 80.697 20.462 -13.501 1.00 24.39 H new ATOM 0 HG3 LYS A 80 79.841 19.329 -14.529 1.00 24.39 H new ATOM 0 HD2 LYS A 80 79.638 17.762 -12.520 1.00 24.46 H new ATOM 0 HD3 LYS A 80 80.340 19.022 -11.524 1.00 24.46 H new ATOM 0 HE2 LYS A 80 78.409 20.542 -12.629 1.00 24.63 H new ATOM 0 HE3 LYS A 80 77.635 18.994 -12.906 1.00 24.63 H new ATOM 0 HZ1 LYS A 80 77.112 19.849 -10.680 1.00 24.70 H new ATOM 0 HZ2 LYS A 80 78.014 18.415 -10.560 1.00 24.70 H new ATOM 0 HZ3 LYS A 80 78.764 19.915 -10.291 1.00 24.70 H new ATOM 1298 N SER A 81 82.676 21.641 -15.294 1.00 25.17 N ATOM 1299 CA SER A 81 83.243 22.998 -14.996 1.00 25.64 C ATOM 1300 C SER A 81 82.930 23.403 -13.552 1.00 25.83 C ATOM 1301 O SER A 81 83.701 24.100 -12.916 1.00 26.18 O ATOM 1302 CB SER A 81 82.558 23.951 -15.978 1.00 25.99 C ATOM 1303 OG SER A 81 81.177 24.045 -15.655 1.00 26.30 O ATOM 0 H SER A 81 81.924 21.630 -15.983 1.00 25.17 H new ATOM 0 HA SER A 81 84.328 23.016 -15.104 1.00 25.64 H new ATOM 0 HB2 SER A 81 83.022 24.936 -15.931 1.00 25.99 H new ATOM 0 HB3 SER A 81 82.681 23.590 -16.999 1.00 25.99 H new ATOM 0 HG SER A 81 80.735 24.656 -16.281 1.00 26.30 H new ATOM 1309 N ALA A 82 81.805 22.972 -13.032 1.00 25.70 N ATOM 1310 CA ALA A 82 81.439 23.315 -11.620 1.00 25.99 C ATOM 1311 C ALA A 82 82.402 22.634 -10.641 1.00 25.88 C ATOM 1312 O ALA A 82 82.710 23.169 -9.591 1.00 26.27 O ATOM 1313 CB ALA A 82 80.017 22.782 -11.425 1.00 25.90 C ATOM 0 H ALA A 82 81.123 22.396 -13.526 1.00 25.70 H new ATOM 0 HA ALA A 82 81.498 24.388 -11.435 1.00 25.99 H new ATOM 0 HB1 ALA A 82 79.683 22.999 -10.410 1.00 25.90 H new ATOM 0 HB2 ALA A 82 79.347 23.263 -12.138 1.00 25.90 H new ATOM 0 HB3 ALA A 82 80.007 21.704 -11.588 1.00 25.90 H new ATOM 1319 N GLU A 83 82.876 21.460 -10.980 1.00 25.44 N ATOM 1320 CA GLU A 83 83.830 20.738 -10.083 1.00 25.42 C ATOM 1321 C GLU A 83 85.266 20.923 -10.585 1.00 25.52 C ATOM 1322 O GLU A 83 85.528 20.858 -11.772 1.00 25.60 O ATOM 1323 CB GLU A 83 83.415 19.268 -10.167 1.00 25.11 C ATOM 1324 CG GLU A 83 84.186 18.457 -9.122 1.00 25.27 C ATOM 1325 CD GLU A 83 83.854 16.971 -9.278 1.00 24.98 C ATOM 1326 OE1 GLU A 83 82.690 16.658 -9.466 1.00 24.84 O ATOM 1327 OE2 GLU A 83 84.772 16.170 -9.205 1.00 24.99 O ATOM 0 H GLU A 83 82.642 20.969 -11.843 1.00 25.44 H new ATOM 0 HA GLU A 83 83.801 21.111 -9.059 1.00 25.42 H new ATOM 0 HB2 GLU A 83 82.342 19.172 -9.998 1.00 25.11 H new ATOM 0 HB3 GLU A 83 83.616 18.879 -11.165 1.00 25.11 H new ATOM 0 HG2 GLU A 83 85.258 18.615 -9.242 1.00 25.27 H new ATOM 0 HG3 GLU A 83 83.925 18.795 -8.119 1.00 25.27 H new ATOM 1334 N THR A 84 86.193 21.154 -9.687 1.00 25.61 N ATOM 1335 CA THR A 84 87.615 21.358 -10.101 1.00 25.82 C ATOM 1336 C THR A 84 88.563 20.940 -8.973 1.00 25.73 C ATOM 1337 O THR A 84 89.534 20.240 -9.198 1.00 25.51 O ATOM 1338 CB THR A 84 87.736 22.857 -10.374 1.00 25.94 C ATOM 1339 OG1 THR A 84 86.678 23.268 -11.230 1.00 25.91 O ATOM 1340 CG2 THR A 84 89.079 23.150 -11.046 1.00 26.11 C ATOM 0 H THR A 84 86.025 21.210 -8.683 1.00 25.61 H new ATOM 0 HA THR A 84 87.879 20.761 -10.974 1.00 25.82 H new ATOM 0 HB THR A 84 87.677 23.403 -9.432 1.00 25.94 H new ATOM 0 HG1 THR A 84 86.753 24.229 -11.405 1.00 25.91 H new ATOM 0 HG21 THR A 84 89.163 24.219 -11.240 1.00 26.11 H new ATOM 0 HG22 THR A 84 89.890 22.835 -10.390 1.00 26.11 H new ATOM 0 HG23 THR A 84 89.141 22.605 -11.988 1.00 26.11 H new ATOM 1348 N TYR A 85 88.287 21.365 -7.764 1.00 25.99 N ATOM 1349 CA TYR A 85 89.181 21.020 -6.614 1.00 26.03 C ATOM 1350 C TYR A 85 88.466 20.066 -5.653 1.00 25.90 C ATOM 1351 O TYR A 85 87.267 20.148 -5.463 1.00 25.79 O ATOM 1352 CB TYR A 85 89.473 22.353 -5.926 1.00 26.40 C ATOM 1353 CG TYR A 85 90.212 23.336 -6.805 1.00 26.88 C ATOM 1354 CD1 TYR A 85 91.615 23.228 -6.965 1.00 27.04 C ATOM 1355 CD2 TYR A 85 89.500 24.364 -7.469 1.00 27.26 C ATOM 1356 CE1 TYR A 85 92.306 24.149 -7.789 1.00 27.59 C ATOM 1357 CE2 TYR A 85 90.192 25.286 -8.293 1.00 27.81 C ATOM 1358 CZ TYR A 85 91.595 25.178 -8.452 1.00 27.97 C ATOM 1359 OH TYR A 85 92.269 26.076 -9.255 1.00 28.59 O ATOM 0 H TYR A 85 87.478 21.938 -7.523 1.00 25.99 H new ATOM 0 HA TYR A 85 90.093 20.519 -6.937 1.00 26.03 H new ATOM 0 HB2 TYR A 85 88.533 22.801 -5.605 1.00 26.40 H new ATOM 0 HB3 TYR A 85 90.061 22.168 -5.027 1.00 26.40 H new ATOM 0 HD1 TYR A 85 92.158 22.443 -6.459 1.00 27.04 H new ATOM 0 HD2 TYR A 85 88.430 24.445 -7.348 1.00 27.26 H new ATOM 0 HE1 TYR A 85 93.376 24.066 -7.912 1.00 27.59 H new ATOM 0 HE2 TYR A 85 89.650 26.071 -8.800 1.00 27.81 H new ATOM 0 HH TYR A 85 91.632 26.716 -9.636 1.00 28.59 H new ATOM 1369 N SER A 86 89.200 19.162 -5.048 1.00 26.01 N ATOM 1370 CA SER A 86 88.581 18.192 -4.095 1.00 26.01 C ATOM 1371 C SER A 86 89.469 18.026 -2.859 1.00 26.10 C ATOM 1372 O SER A 86 90.611 18.443 -2.854 1.00 26.32 O ATOM 1373 CB SER A 86 88.491 16.878 -4.870 1.00 26.16 C ATOM 1374 OG SER A 86 87.754 15.933 -4.107 1.00 26.13 O ATOM 0 H SER A 86 90.206 19.056 -5.176 1.00 26.01 H new ATOM 0 HA SER A 86 87.605 18.525 -3.743 1.00 26.01 H new ATOM 0 HB2 SER A 86 88.007 17.043 -5.833 1.00 26.16 H new ATOM 0 HB3 SER A 86 89.490 16.495 -5.077 1.00 26.16 H new ATOM 0 HG SER A 86 87.693 15.089 -4.602 1.00 26.13 H new ATOM 1380 N SER A 87 88.942 17.421 -1.813 1.00 26.03 N ATOM 1381 CA SER A 87 89.726 17.193 -0.547 1.00 26.24 C ATOM 1382 C SER A 87 90.435 18.478 -0.078 1.00 26.42 C ATOM 1383 O SER A 87 91.512 18.810 -0.535 1.00 26.39 O ATOM 1384 CB SER A 87 90.736 16.086 -0.880 1.00 26.11 C ATOM 1385 OG SER A 87 91.795 16.612 -1.670 1.00 25.87 O ATOM 0 H SER A 87 87.985 17.070 -1.783 1.00 26.03 H new ATOM 0 HA SER A 87 89.073 16.904 0.276 1.00 26.24 H new ATOM 0 HB2 SER A 87 91.136 15.659 0.040 1.00 26.11 H new ATOM 0 HB3 SER A 87 90.238 15.278 -1.417 1.00 26.11 H new ATOM 0 HG SER A 87 91.649 17.570 -1.816 1.00 25.87 H new ATOM 1391 N LYS A 88 89.826 19.195 0.838 1.00 26.70 N ATOM 1392 CA LYS A 88 90.430 20.480 1.326 1.00 27.01 C ATOM 1393 C LYS A 88 91.783 20.218 2.001 1.00 27.25 C ATOM 1394 O LYS A 88 92.730 20.961 1.813 1.00 27.47 O ATOM 1395 CB LYS A 88 89.427 21.041 2.340 1.00 27.36 C ATOM 1396 CG LYS A 88 89.834 22.463 2.735 1.00 27.51 C ATOM 1397 CD LYS A 88 88.868 22.994 3.797 1.00 27.96 C ATOM 1398 CE LYS A 88 89.179 24.465 4.081 1.00 28.12 C ATOM 1399 NZ LYS A 88 88.421 24.784 5.323 1.00 28.31 N ATOM 0 H LYS A 88 88.936 18.947 1.270 1.00 26.70 H new ATOM 0 HA LYS A 88 90.614 21.176 0.508 1.00 27.01 H new ATOM 0 HB2 LYS A 88 88.425 21.045 1.911 1.00 27.36 H new ATOM 0 HB3 LYS A 88 89.393 20.403 3.223 1.00 27.36 H new ATOM 0 HG2 LYS A 88 90.853 22.467 3.121 1.00 27.51 H new ATOM 0 HG3 LYS A 88 89.822 23.113 1.860 1.00 27.51 H new ATOM 0 HD2 LYS A 88 87.839 22.889 3.453 1.00 27.96 H new ATOM 0 HD3 LYS A 88 88.959 22.409 4.712 1.00 27.96 H new ATOM 0 HE2 LYS A 88 90.249 24.623 4.219 1.00 28.12 H new ATOM 0 HE3 LYS A 88 88.867 25.102 3.253 1.00 28.12 H new ATOM 0 HZ1 LYS A 88 88.583 25.778 5.583 1.00 28.31 H new ATOM 0 HZ2 LYS A 88 87.406 24.630 5.159 1.00 28.31 H new ATOM 0 HZ3 LYS A 88 88.744 24.167 6.095 1.00 28.31 H new ATOM 1413 N ASN A 89 91.875 19.168 2.781 1.00 27.29 N ATOM 1414 CA ASN A 89 93.163 18.848 3.469 1.00 27.63 C ATOM 1415 C ASN A 89 93.965 17.830 2.648 1.00 27.57 C ATOM 1416 O ASN A 89 94.993 18.156 2.081 1.00 27.64 O ATOM 1417 CB ASN A 89 92.759 18.259 4.824 1.00 27.75 C ATOM 1418 CG ASN A 89 92.088 19.338 5.675 1.00 28.00 C ATOM 1419 OD1 ASN A 89 91.001 19.141 6.181 1.00 27.91 O ATOM 1420 ND2 ASN A 89 92.694 20.480 5.857 1.00 28.38 N ATOM 0 H ASN A 89 91.112 18.518 2.970 1.00 27.29 H new ATOM 0 HA ASN A 89 93.798 19.726 3.586 1.00 27.63 H new ATOM 0 HB2 ASN A 89 92.078 17.421 4.679 1.00 27.75 H new ATOM 0 HB3 ASN A 89 93.637 17.870 5.339 1.00 27.75 H new ATOM 0 HD21 ASN A 89 92.255 21.206 6.424 1.00 28.38 H new ATOM 0 HD22 ASN A 89 93.607 20.646 5.433 1.00 28.38 H new ATOM 1427 N LYS A 90 93.502 16.604 2.582 1.00 27.54 N ATOM 1428 CA LYS A 90 94.230 15.558 1.801 1.00 27.59 C ATOM 1429 C LYS A 90 93.233 14.595 1.151 1.00 27.58 C ATOM 1430 O LYS A 90 93.151 14.500 -0.060 1.00 27.56 O ATOM 1431 CB LYS A 90 95.094 14.821 2.827 1.00 27.65 C ATOM 1432 CG LYS A 90 96.245 15.725 3.278 1.00 27.91 C ATOM 1433 CD LYS A 90 97.173 14.944 4.214 1.00 28.09 C ATOM 1434 CE LYS A 90 97.964 13.896 3.415 1.00 28.45 C ATOM 1435 NZ LYS A 90 97.384 12.579 3.808 1.00 28.52 N ATOM 0 H LYS A 90 92.648 16.283 3.038 1.00 27.54 H new ATOM 0 HA LYS A 90 94.829 15.987 0.998 1.00 27.59 H new ATOM 0 HB2 LYS A 90 94.488 14.532 3.686 1.00 27.65 H new ATOM 0 HB3 LYS A 90 95.489 13.903 2.392 1.00 27.65 H new ATOM 0 HG2 LYS A 90 96.802 16.082 2.412 1.00 27.91 H new ATOM 0 HG3 LYS A 90 95.852 16.604 3.789 1.00 27.91 H new ATOM 0 HD2 LYS A 90 97.860 15.628 4.712 1.00 28.09 H new ATOM 0 HD3 LYS A 90 96.589 14.455 4.993 1.00 28.09 H new ATOM 0 HE2 LYS A 90 97.867 14.064 2.342 1.00 28.45 H new ATOM 0 HE3 LYS A 90 99.027 13.943 3.650 1.00 28.45 H new ATOM 0 HZ1 LYS A 90 97.559 11.884 3.054 1.00 28.52 H new ATOM 0 HZ2 LYS A 90 97.829 12.253 4.690 1.00 28.52 H new ATOM 0 HZ3 LYS A 90 96.359 12.681 3.954 1.00 28.52 H new ATOM 1449 N TRP A 91 92.477 13.882 1.951 1.00 27.68 N ATOM 1450 CA TRP A 91 91.487 12.910 1.397 1.00 27.79 C ATOM 1451 C TRP A 91 90.177 12.979 2.189 1.00 27.19 C ATOM 1452 O TRP A 91 90.033 13.780 3.094 1.00 26.77 O ATOM 1453 CB TRP A 91 92.142 11.539 1.563 1.00 28.48 C ATOM 1454 CG TRP A 91 93.383 11.370 0.745 1.00 28.94 C ATOM 1455 CD1 TRP A 91 94.645 11.387 1.236 1.00 29.35 C ATOM 1456 CD2 TRP A 91 93.502 11.157 -0.691 1.00 29.13 C ATOM 1457 NE1 TRP A 91 95.537 11.200 0.194 1.00 29.79 N ATOM 1458 CE2 TRP A 91 94.889 11.051 -1.015 1.00 29.68 C ATOM 1459 CE3 TRP A 91 92.553 11.044 -1.744 1.00 28.97 C ATOM 1460 CZ2 TRP A 91 95.323 10.842 -2.341 1.00 30.06 C ATOM 1461 CZ3 TRP A 91 92.985 10.834 -3.080 1.00 29.36 C ATOM 1462 CH2 TRP A 91 94.368 10.733 -3.378 1.00 29.90 C ATOM 0 H TRP A 91 92.505 13.933 2.969 1.00 27.68 H new ATOM 0 HA TRP A 91 91.240 13.120 0.356 1.00 27.79 H new ATOM 0 HB2 TRP A 91 92.385 11.386 2.614 1.00 28.48 H new ATOM 0 HB3 TRP A 91 91.425 10.766 1.286 1.00 28.48 H new ATOM 0 HD1 TRP A 91 94.912 11.524 2.273 1.00 29.35 H new ATOM 0 HE1 TRP A 91 96.550 11.175 0.306 1.00 29.79 H new ATOM 0 HE3 TRP A 91 91.498 11.118 -1.526 1.00 28.97 H new ATOM 0 HZ2 TRP A 91 96.377 10.766 -2.562 1.00 30.06 H new ATOM 0 HZ3 TRP A 91 92.257 10.751 -3.873 1.00 29.36 H new ATOM 0 HH2 TRP A 91 94.691 10.573 -4.396 1.00 29.90 H new ATOM 1473 N SER A 92 89.224 12.144 1.851 1.00 27.25 N ATOM 1474 CA SER A 92 87.915 12.153 2.571 1.00 26.80 C ATOM 1475 C SER A 92 87.779 10.900 3.440 1.00 26.96 C ATOM 1476 O SER A 92 88.292 9.847 3.107 1.00 27.12 O ATOM 1477 CB SER A 92 86.858 12.157 1.468 1.00 26.73 C ATOM 1478 OG SER A 92 87.042 13.301 0.645 1.00 26.56 O ATOM 0 H SER A 92 89.299 11.454 1.104 1.00 27.25 H new ATOM 0 HA SER A 92 87.815 13.011 3.235 1.00 26.80 H new ATOM 0 HB2 SER A 92 86.936 11.249 0.871 1.00 26.73 H new ATOM 0 HB3 SER A 92 85.860 12.166 1.905 1.00 26.73 H new ATOM 0 HG SER A 92 86.215 13.486 0.153 1.00 26.56 H new ATOM 1484 N MET A 93 87.091 11.010 4.553 1.00 27.00 N ATOM 1485 CA MET A 93 86.931 9.831 5.468 1.00 27.25 C ATOM 1486 C MET A 93 86.111 8.732 4.784 1.00 27.47 C ATOM 1487 O MET A 93 86.365 7.555 4.966 1.00 27.71 O ATOM 1488 CB MET A 93 86.188 10.365 6.695 1.00 27.33 C ATOM 1489 CG MET A 93 87.089 11.342 7.452 1.00 27.27 C ATOM 1490 SD MET A 93 86.266 11.866 8.977 1.00 27.73 S ATOM 1491 CE MET A 93 87.510 13.070 9.503 1.00 28.15 C ATOM 0 H MET A 93 86.633 11.865 4.868 1.00 27.00 H new ATOM 0 HA MET A 93 87.892 9.392 5.736 1.00 27.25 H new ATOM 0 HB2 MET A 93 85.269 10.864 6.388 1.00 27.33 H new ATOM 0 HB3 MET A 93 85.900 9.540 7.346 1.00 27.33 H new ATOM 0 HG2 MET A 93 88.042 10.868 7.685 1.00 27.27 H new ATOM 0 HG3 MET A 93 87.308 12.209 6.828 1.00 27.27 H new ATOM 0 HE1 MET A 93 87.200 13.526 10.444 1.00 28.15 H new ATOM 0 HE2 MET A 93 88.467 12.567 9.641 1.00 28.15 H new ATOM 0 HE3 MET A 93 87.613 13.843 8.742 1.00 28.15 H new ATOM 1501 N ASP A 94 85.130 9.110 4.000 1.00 27.46 N ATOM 1502 CA ASP A 94 84.286 8.091 3.298 1.00 27.77 C ATOM 1503 C ASP A 94 84.967 7.648 2.000 1.00 27.85 C ATOM 1504 O ASP A 94 85.429 8.462 1.224 1.00 27.69 O ATOM 1505 CB ASP A 94 82.962 8.800 2.994 1.00 27.82 C ATOM 1506 CG ASP A 94 82.235 9.122 4.303 1.00 27.43 C ATOM 1507 OD1 ASP A 94 82.226 8.273 5.179 1.00 27.29 O ATOM 1508 OD2 ASP A 94 81.702 10.214 4.406 1.00 27.33 O ATOM 0 H ASP A 94 84.877 10.081 3.816 1.00 27.46 H new ATOM 0 HA ASP A 94 84.135 7.197 3.903 1.00 27.77 H new ATOM 0 HB2 ASP A 94 83.150 9.717 2.436 1.00 27.82 H new ATOM 0 HB3 ASP A 94 82.336 8.167 2.365 1.00 27.82 H new ATOM 1513 N CYS A 95 85.029 6.353 1.762 1.00 28.18 N ATOM 1514 CA CYS A 95 85.683 5.814 0.517 1.00 28.39 C ATOM 1515 C CYS A 95 87.099 6.383 0.343 1.00 28.90 C ATOM 1516 O CYS A 95 87.589 7.118 1.181 1.00 29.32 O ATOM 1517 CB CYS A 95 84.782 6.251 -0.644 1.00 28.39 C ATOM 1518 SG CYS A 95 83.206 5.367 -0.550 1.00 28.68 S ATOM 0 H CYS A 95 84.650 5.639 2.384 1.00 28.18 H new ATOM 0 HA CYS A 95 85.790 4.730 0.564 1.00 28.39 H new ATOM 0 HB2 CYS A 95 84.611 7.327 -0.601 1.00 28.39 H new ATOM 0 HB3 CYS A 95 85.271 6.044 -1.596 1.00 28.39 H new ATOM 0 HG CYS A 95 82.441 5.739 -1.533 1.00 28.68 H new ATOM 1524 N ASP A 96 87.754 6.044 -0.741 1.00 28.95 N ATOM 1525 CA ASP A 96 89.128 6.577 -0.995 1.00 29.53 C ATOM 1526 C ASP A 96 89.046 7.926 -1.715 1.00 29.87 C ATOM 1527 O ASP A 96 89.829 8.823 -1.459 1.00 30.03 O ATOM 1528 CB ASP A 96 89.810 5.534 -1.886 1.00 29.59 C ATOM 1529 CG ASP A 96 89.993 4.228 -1.107 1.00 28.90 C ATOM 1530 OD1 ASP A 96 90.365 4.299 0.054 1.00 28.67 O ATOM 1531 OD2 ASP A 96 89.760 3.179 -1.685 1.00 28.68 O ATOM 0 H ASP A 96 87.394 5.419 -1.463 1.00 28.95 H new ATOM 0 HA ASP A 96 89.681 6.741 -0.070 1.00 29.53 H new ATOM 0 HB2 ASP A 96 89.209 5.355 -2.778 1.00 29.59 H new ATOM 0 HB3 ASP A 96 90.778 5.906 -2.223 1.00 29.59 H new ATOM 1536 N GLU A 97 88.102 8.071 -2.614 1.00 30.07 N ATOM 1537 CA GLU A 97 87.960 9.356 -3.367 1.00 30.50 C ATOM 1538 C GLU A 97 86.493 9.801 -3.380 1.00 30.54 C ATOM 1539 O GLU A 97 85.591 8.986 -3.306 1.00 30.33 O ATOM 1540 CB GLU A 97 88.438 9.036 -4.784 1.00 30.80 C ATOM 1541 CG GLU A 97 88.537 10.329 -5.597 1.00 31.33 C ATOM 1542 CD GLU A 97 88.910 10.000 -7.045 1.00 31.01 C ATOM 1543 OE1 GLU A 97 89.776 9.162 -7.238 1.00 30.62 O ATOM 1544 OE2 GLU A 97 88.323 10.592 -7.935 1.00 31.22 O ATOM 0 H GLU A 97 87.422 7.352 -2.859 1.00 30.07 H new ATOM 0 HA GLU A 97 88.533 10.167 -2.917 1.00 30.50 H new ATOM 0 HB2 GLU A 97 89.409 8.542 -4.748 1.00 30.80 H new ATOM 0 HB3 GLU A 97 87.746 8.344 -5.265 1.00 30.80 H new ATOM 0 HG2 GLU A 97 87.587 10.862 -5.568 1.00 31.33 H new ATOM 0 HG3 GLU A 97 89.286 10.989 -5.159 1.00 31.33 H new ATOM 1551 N GLU A 98 86.255 11.087 -3.471 1.00 30.91 N ATOM 1552 CA GLU A 98 84.850 11.597 -3.495 1.00 31.07 C ATOM 1553 C GLU A 98 84.396 11.822 -4.942 1.00 31.40 C ATOM 1554 O GLU A 98 85.098 12.424 -5.734 1.00 31.63 O ATOM 1555 CB GLU A 98 84.896 12.924 -2.733 1.00 31.37 C ATOM 1556 CG GLU A 98 83.473 13.444 -2.517 1.00 31.13 C ATOM 1557 CD GLU A 98 83.523 14.828 -1.867 1.00 30.58 C ATOM 1558 OE1 GLU A 98 84.348 15.628 -2.281 1.00 30.19 O ATOM 1559 OE2 GLU A 98 82.736 15.066 -0.965 1.00 30.64 O ATOM 0 H GLU A 98 86.976 11.806 -3.530 1.00 30.91 H new ATOM 0 HA GLU A 98 84.147 10.895 -3.046 1.00 31.07 H new ATOM 0 HB2 GLU A 98 85.393 12.786 -1.773 1.00 31.37 H new ATOM 0 HB3 GLU A 98 85.480 13.655 -3.292 1.00 31.37 H new ATOM 0 HG2 GLU A 98 82.947 13.498 -3.470 1.00 31.13 H new ATOM 0 HG3 GLU A 98 82.916 12.754 -1.884 1.00 31.13 H new ATOM 1566 N PHE A 99 83.226 11.340 -5.286 1.00 31.49 N ATOM 1567 CA PHE A 99 82.713 11.514 -6.680 1.00 31.91 C ATOM 1568 C PHE A 99 81.183 11.604 -6.673 1.00 32.03 C ATOM 1569 O PHE A 99 80.539 11.255 -5.702 1.00 32.01 O ATOM 1570 CB PHE A 99 83.185 10.268 -7.438 1.00 31.99 C ATOM 1571 CG PHE A 99 82.693 8.966 -6.845 1.00 32.05 C ATOM 1572 CD1 PHE A 99 83.313 8.436 -5.688 1.00 32.07 C ATOM 1573 CD2 PHE A 99 81.615 8.276 -7.450 1.00 32.17 C ATOM 1574 CE1 PHE A 99 82.854 7.216 -5.133 1.00 32.22 C ATOM 1575 CE2 PHE A 99 81.156 7.056 -6.896 1.00 32.31 C ATOM 1576 CZ PHE A 99 81.775 6.526 -5.738 1.00 32.35 C ATOM 0 H PHE A 99 82.603 10.832 -4.658 1.00 31.49 H new ATOM 0 HA PHE A 99 83.078 12.430 -7.145 1.00 31.91 H new ATOM 0 HB2 PHE A 99 82.848 10.335 -8.472 1.00 31.99 H new ATOM 0 HB3 PHE A 99 84.275 10.258 -7.458 1.00 31.99 H new ATOM 0 HD1 PHE A 99 84.136 8.962 -5.228 1.00 32.07 H new ATOM 0 HD2 PHE A 99 81.143 8.680 -8.333 1.00 32.17 H new ATOM 0 HE1 PHE A 99 83.326 6.812 -4.250 1.00 32.22 H new ATOM 0 HE2 PHE A 99 80.333 6.530 -7.357 1.00 32.31 H new ATOM 0 HZ PHE A 99 81.424 5.596 -5.316 1.00 32.35 H new ATOM 1586 N ASP A 100 80.597 12.075 -7.757 1.00 32.23 N ATOM 1587 CA ASP A 100 79.102 12.229 -7.834 1.00 32.46 C ATOM 1588 C ASP A 100 78.572 13.034 -6.635 1.00 32.69 C ATOM 1589 O ASP A 100 77.661 12.613 -5.942 1.00 33.10 O ATOM 1590 CB ASP A 100 78.535 10.800 -7.832 1.00 32.40 C ATOM 1591 CG ASP A 100 78.921 10.077 -9.129 1.00 32.34 C ATOM 1592 OD1 ASP A 100 79.002 8.860 -9.100 1.00 32.19 O ATOM 1593 OD2 ASP A 100 79.123 10.747 -10.131 1.00 32.49 O ATOM 0 H ASP A 100 81.097 12.362 -8.599 1.00 32.23 H new ATOM 0 HA ASP A 100 78.801 12.775 -8.728 1.00 32.46 H new ATOM 0 HB2 ASP A 100 78.918 10.250 -6.972 1.00 32.40 H new ATOM 0 HB3 ASP A 100 77.450 10.831 -7.733 1.00 32.40 H new ATOM 1598 N PHE A 101 79.141 14.192 -6.391 1.00 32.51 N ATOM 1599 CA PHE A 101 78.700 15.032 -5.225 1.00 32.81 C ATOM 1600 C PHE A 101 77.223 15.417 -5.366 1.00 33.01 C ATOM 1601 O PHE A 101 76.475 15.393 -4.407 1.00 32.84 O ATOM 1602 CB PHE A 101 79.584 16.282 -5.270 1.00 32.59 C ATOM 1603 CG PHE A 101 79.389 17.200 -4.087 1.00 32.62 C ATOM 1604 CD1 PHE A 101 80.103 16.968 -2.886 1.00 32.52 C ATOM 1605 CD2 PHE A 101 78.495 18.295 -4.178 1.00 32.84 C ATOM 1606 CE1 PHE A 101 79.922 17.829 -1.776 1.00 32.64 C ATOM 1607 CE2 PHE A 101 78.315 19.156 -3.069 1.00 32.96 C ATOM 1608 CZ PHE A 101 79.028 18.924 -1.868 1.00 32.86 C ATOM 0 H PHE A 101 79.894 14.594 -6.949 1.00 32.51 H new ATOM 0 HA PHE A 101 78.798 14.497 -4.281 1.00 32.81 H new ATOM 0 HB2 PHE A 101 80.629 15.977 -5.315 1.00 32.59 H new ATOM 0 HB3 PHE A 101 79.374 16.833 -6.186 1.00 32.59 H new ATOM 0 HD1 PHE A 101 80.786 16.134 -2.817 1.00 32.52 H new ATOM 0 HD2 PHE A 101 77.951 18.473 -5.094 1.00 32.84 H new ATOM 0 HE1 PHE A 101 80.465 17.651 -0.860 1.00 32.64 H new ATOM 0 HE2 PHE A 101 77.633 19.991 -3.139 1.00 32.96 H new ATOM 0 HZ PHE A 101 78.890 19.582 -1.022 1.00 32.86 H new ATOM 1618 N ALA A 102 76.801 15.773 -6.563 1.00 33.44 N ATOM 1619 CA ALA A 102 75.365 16.161 -6.803 1.00 33.74 C ATOM 1620 C ALA A 102 74.914 17.247 -5.814 1.00 33.94 C ATOM 1621 O ALA A 102 75.726 17.865 -5.151 1.00 33.69 O ATOM 1622 CB ALA A 102 74.555 14.875 -6.600 1.00 34.24 C ATOM 0 H ALA A 102 77.395 15.812 -7.391 1.00 33.44 H new ATOM 0 HA ALA A 102 75.225 16.576 -7.801 1.00 33.74 H new ATOM 0 HB1 ALA A 102 73.497 15.083 -6.759 1.00 34.24 H new ATOM 0 HB2 ALA A 102 74.888 14.119 -7.312 1.00 34.24 H new ATOM 0 HB3 ALA A 102 74.704 14.508 -5.585 1.00 34.24 H new ATOM 1628 N ALA A 103 73.626 17.478 -5.716 1.00 34.46 N ATOM 1629 CA ALA A 103 73.112 18.523 -4.779 1.00 34.77 C ATOM 1630 C ALA A 103 72.624 17.885 -3.471 1.00 35.19 C ATOM 1631 O ALA A 103 71.747 18.411 -2.815 1.00 35.38 O ATOM 1632 CB ALA A 103 71.947 19.178 -5.522 1.00 34.96 C ATOM 0 H ALA A 103 72.908 16.985 -6.247 1.00 34.46 H new ATOM 0 HA ALA A 103 73.884 19.243 -4.506 1.00 34.77 H new ATOM 0 HB1 ALA A 103 71.512 19.960 -4.900 1.00 34.96 H new ATOM 0 HB2 ALA A 103 72.309 19.614 -6.453 1.00 34.96 H new ATOM 0 HB3 ALA A 103 71.189 18.427 -5.744 1.00 34.96 H new ATOM 1638 N ASN A 104 73.193 16.757 -3.093 1.00 35.41 N ATOM 1639 CA ASN A 104 72.777 16.040 -1.836 1.00 35.90 C ATOM 1640 C ASN A 104 71.279 15.671 -1.867 1.00 36.24 C ATOM 1641 O ASN A 104 70.929 14.538 -2.146 1.00 36.56 O ATOM 1642 CB ASN A 104 73.103 16.997 -0.675 1.00 35.78 C ATOM 1643 CG ASN A 104 72.886 16.278 0.660 1.00 35.62 C ATOM 1644 OD1 ASN A 104 73.543 15.298 0.949 1.00 35.44 O ATOM 1645 ND2 ASN A 104 71.985 16.729 1.489 1.00 35.75 N ATOM 0 H ASN A 104 73.941 16.296 -3.612 1.00 35.41 H new ATOM 0 HA ASN A 104 73.308 15.095 -1.725 1.00 35.90 H new ATOM 0 HB2 ASN A 104 74.135 17.340 -0.752 1.00 35.78 H new ATOM 0 HB3 ASN A 104 72.469 17.882 -0.730 1.00 35.78 H new ATOM 0 HD21 ASN A 104 71.832 16.259 2.381 1.00 35.75 H new ATOM 0 HD22 ASN A 104 71.434 17.552 1.245 1.00 35.75 H new ATOM 1652 N LEU A 105 70.399 16.606 -1.589 1.00 36.24 N ATOM 1653 CA LEU A 105 68.937 16.279 -1.520 1.00 36.65 C ATOM 1654 C LEU A 105 68.414 15.873 -2.903 1.00 36.68 C ATOM 1655 O LEU A 105 67.563 15.009 -3.021 1.00 36.55 O ATOM 1656 CB LEU A 105 68.252 17.564 -1.045 1.00 36.84 C ATOM 1657 CG LEU A 105 66.783 17.275 -0.726 1.00 37.19 C ATOM 1658 CD1 LEU A 105 66.690 16.469 0.570 1.00 37.36 C ATOM 1659 CD2 LEU A 105 66.029 18.597 -0.559 1.00 37.42 C ATOM 0 H LEU A 105 70.631 17.582 -1.407 1.00 36.24 H new ATOM 0 HA LEU A 105 68.740 15.444 -0.848 1.00 36.65 H new ATOM 0 HB2 LEU A 105 68.757 17.952 -0.160 1.00 36.84 H new ATOM 0 HB3 LEU A 105 68.323 18.332 -1.815 1.00 36.84 H new ATOM 0 HG LEU A 105 66.340 16.703 -1.541 1.00 37.19 H new ATOM 0 HD11 LEU A 105 65.644 16.264 0.796 1.00 37.36 H new ATOM 0 HD12 LEU A 105 67.227 15.528 0.453 1.00 37.36 H new ATOM 0 HD13 LEU A 105 67.133 17.040 1.386 1.00 37.36 H new ATOM 0 HD21 LEU A 105 64.983 18.393 -0.332 1.00 37.42 H new ATOM 0 HD22 LEU A 105 66.473 19.168 0.256 1.00 37.42 H new ATOM 0 HD23 LEU A 105 66.094 19.172 -1.483 1.00 37.42 H new ATOM 1671 N GLU A 106 68.917 16.491 -3.943 1.00 36.91 N ATOM 1672 CA GLU A 106 68.430 16.172 -5.321 1.00 37.03 C ATOM 1673 C GLU A 106 69.483 15.361 -6.083 1.00 37.25 C ATOM 1674 O GLU A 106 70.671 15.516 -5.869 1.00 37.41 O ATOM 1675 CB GLU A 106 68.215 17.531 -5.992 1.00 37.30 C ATOM 1676 CG GLU A 106 67.070 18.271 -5.296 1.00 37.55 C ATOM 1677 CD GLU A 106 66.799 19.591 -6.022 1.00 36.81 C ATOM 1678 OE1 GLU A 106 65.809 19.660 -6.733 1.00 36.57 O ATOM 1679 OE2 GLU A 106 67.585 20.508 -5.856 1.00 36.56 O ATOM 0 H GLU A 106 69.645 17.204 -3.897 1.00 36.91 H new ATOM 0 HA GLU A 106 67.518 15.575 -5.306 1.00 37.03 H new ATOM 0 HB2 GLU A 106 69.129 18.123 -5.940 1.00 37.30 H new ATOM 0 HB3 GLU A 106 67.984 17.394 -7.048 1.00 37.30 H new ATOM 0 HG2 GLU A 106 66.172 17.654 -5.294 1.00 37.55 H new ATOM 0 HG3 GLU A 106 67.327 18.463 -4.254 1.00 37.55 H new ATOM 1686 N LYS A 107 69.049 14.492 -6.973 1.00 37.32 N ATOM 1687 CA LYS A 107 70.004 13.674 -7.799 1.00 37.63 C ATOM 1688 C LYS A 107 71.001 12.920 -6.901 1.00 38.10 C ATOM 1689 O LYS A 107 72.197 13.151 -6.951 1.00 38.28 O ATOM 1690 CB LYS A 107 70.730 14.676 -8.709 1.00 37.17 C ATOM 1691 CG LYS A 107 69.728 15.298 -9.684 1.00 37.08 C ATOM 1692 CD LYS A 107 70.468 16.207 -10.668 1.00 36.90 C ATOM 1693 CE LYS A 107 69.454 16.916 -11.569 1.00 36.78 C ATOM 1694 NZ LYS A 107 70.208 18.043 -12.183 1.00 36.76 N ATOM 0 H LYS A 107 68.063 14.313 -7.164 1.00 37.32 H new ATOM 0 HA LYS A 107 69.481 12.914 -8.380 1.00 37.63 H new ATOM 0 HB2 LYS A 107 71.200 15.454 -8.108 1.00 37.17 H new ATOM 0 HB3 LYS A 107 71.525 14.174 -9.259 1.00 37.17 H new ATOM 0 HG2 LYS A 107 69.197 14.515 -10.225 1.00 37.08 H new ATOM 0 HG3 LYS A 107 68.979 15.871 -9.136 1.00 37.08 H new ATOM 0 HD2 LYS A 107 71.063 16.941 -10.125 1.00 36.90 H new ATOM 0 HD3 LYS A 107 71.160 15.620 -11.272 1.00 36.90 H new ATOM 0 HE2 LYS A 107 69.063 16.241 -12.330 1.00 36.78 H new ATOM 0 HE3 LYS A 107 68.601 17.278 -10.995 1.00 36.78 H new ATOM 0 HZ1 LYS A 107 69.579 18.578 -12.816 1.00 36.76 H new ATOM 0 HZ2 LYS A 107 70.563 18.672 -11.435 1.00 36.76 H new ATOM 0 HZ3 LYS A 107 71.010 17.668 -12.729 1.00 36.76 H new ATOM 1708 N PHE A 108 70.509 12.021 -6.081 1.00 38.37 N ATOM 1709 CA PHE A 108 71.417 11.235 -5.181 1.00 38.90 C ATOM 1710 C PHE A 108 72.353 10.349 -6.011 1.00 38.93 C ATOM 1711 O PHE A 108 73.513 10.182 -5.680 1.00 39.19 O ATOM 1712 CB PHE A 108 70.491 10.369 -4.322 1.00 39.30 C ATOM 1713 CG PHE A 108 69.637 11.164 -3.362 1.00 39.49 C ATOM 1714 CD1 PHE A 108 68.292 11.461 -3.690 1.00 39.70 C ATOM 1715 CD2 PHE A 108 70.183 11.613 -2.135 1.00 39.52 C ATOM 1716 CE1 PHE A 108 67.491 12.205 -2.789 1.00 39.93 C ATOM 1717 CE2 PHE A 108 69.382 12.357 -1.235 1.00 39.77 C ATOM 1718 CZ PHE A 108 68.036 12.654 -1.562 1.00 39.97 C ATOM 0 H PHE A 108 69.518 11.797 -5.995 1.00 38.37 H new ATOM 0 HA PHE A 108 72.045 11.885 -4.572 1.00 38.90 H new ATOM 0 HB2 PHE A 108 69.842 9.787 -4.976 1.00 39.30 H new ATOM 0 HB3 PHE A 108 71.093 9.658 -3.756 1.00 39.30 H new ATOM 0 HD1 PHE A 108 67.877 11.120 -4.627 1.00 39.70 H new ATOM 0 HD2 PHE A 108 71.210 11.388 -1.886 1.00 39.52 H new ATOM 0 HE1 PHE A 108 66.464 12.430 -3.038 1.00 39.93 H new ATOM 0 HE2 PHE A 108 69.798 12.698 -0.298 1.00 39.77 H new ATOM 0 HZ PHE A 108 67.426 13.223 -0.876 1.00 39.97 H new ATOM 1728 N ASP A 109 71.855 9.786 -7.085 1.00 38.72 N ATOM 1729 CA ASP A 109 72.707 8.915 -7.950 1.00 38.80 C ATOM 1730 C ASP A 109 72.089 8.794 -9.350 1.00 39.13 C ATOM 1731 O ASP A 109 71.769 7.712 -9.811 1.00 39.35 O ATOM 1732 CB ASP A 109 72.730 7.558 -7.240 1.00 38.49 C ATOM 1733 CG ASP A 109 73.747 6.641 -7.922 1.00 37.99 C ATOM 1734 OD1 ASP A 109 74.918 6.740 -7.595 1.00 37.84 O ATOM 1735 OD2 ASP A 109 73.336 5.853 -8.759 1.00 37.81 O ATOM 0 H ASP A 109 70.891 9.894 -7.400 1.00 38.72 H new ATOM 0 HA ASP A 109 73.711 9.316 -8.087 1.00 38.80 H new ATOM 0 HB2 ASP A 109 72.990 7.690 -6.190 1.00 38.49 H new ATOM 0 HB3 ASP A 109 71.739 7.104 -7.268 1.00 38.49 H new ATOM 1740 N LYS A 110 71.918 9.908 -10.032 1.00 39.22 N ATOM 1741 CA LYS A 110 71.322 9.897 -11.415 1.00 39.59 C ATOM 1742 C LYS A 110 69.977 9.152 -11.424 1.00 40.22 C ATOM 1743 O LYS A 110 69.644 8.466 -12.372 1.00 40.39 O ATOM 1744 CB LYS A 110 72.347 9.177 -12.299 1.00 39.38 C ATOM 1745 CG LYS A 110 72.065 9.488 -13.770 1.00 39.29 C ATOM 1746 CD LYS A 110 73.066 8.739 -14.652 1.00 39.31 C ATOM 1747 CE LYS A 110 72.869 9.151 -16.113 1.00 39.46 C ATOM 1748 NZ LYS A 110 73.603 10.440 -16.251 1.00 39.91 N ATOM 0 H LYS A 110 72.168 10.834 -9.686 1.00 39.22 H new ATOM 0 HA LYS A 110 71.120 10.906 -11.773 1.00 39.59 H new ATOM 0 HB2 LYS A 110 73.356 9.495 -12.037 1.00 39.38 H new ATOM 0 HB3 LYS A 110 72.298 8.102 -12.128 1.00 39.38 H new ATOM 0 HG2 LYS A 110 71.047 9.194 -14.026 1.00 39.29 H new ATOM 0 HG3 LYS A 110 72.140 10.561 -13.947 1.00 39.29 H new ATOM 0 HD2 LYS A 110 74.085 8.962 -14.334 1.00 39.31 H new ATOM 0 HD3 LYS A 110 72.927 7.663 -14.545 1.00 39.31 H new ATOM 0 HE2 LYS A 110 73.265 8.396 -16.793 1.00 39.46 H new ATOM 0 HE3 LYS A 110 71.812 9.271 -16.350 1.00 39.46 H new ATOM 0 HZ1 LYS A 110 73.023 11.114 -16.790 1.00 39.91 H new ATOM 0 HZ2 LYS A 110 73.800 10.830 -15.307 1.00 39.91 H new ATOM 0 HZ3 LYS A 110 74.500 10.277 -16.752 1.00 39.91 H new ATOM 1762 N LYS A 111 69.204 9.289 -10.367 1.00 40.62 N ATOM 1763 CA LYS A 111 67.863 8.608 -10.281 1.00 41.30 C ATOM 1764 C LYS A 111 67.995 7.099 -10.536 1.00 41.35 C ATOM 1765 O LYS A 111 67.098 6.472 -11.071 1.00 41.46 O ATOM 1766 CB LYS A 111 66.989 9.263 -11.362 1.00 41.74 C ATOM 1767 CG LYS A 111 66.814 10.754 -11.058 1.00 42.02 C ATOM 1768 CD LYS A 111 65.926 10.926 -9.822 1.00 42.54 C ATOM 1769 CE LYS A 111 65.592 12.408 -9.635 1.00 42.77 C ATOM 1770 NZ LYS A 111 64.927 12.487 -8.305 1.00 43.28 N ATOM 0 H LYS A 111 69.447 9.850 -9.550 1.00 40.62 H new ATOM 0 HA LYS A 111 67.427 8.720 -9.288 1.00 41.30 H new ATOM 0 HB2 LYS A 111 67.449 9.134 -12.342 1.00 41.74 H new ATOM 0 HB3 LYS A 111 66.016 8.774 -11.401 1.00 41.74 H new ATOM 0 HG2 LYS A 111 67.786 11.217 -10.887 1.00 42.02 H new ATOM 0 HG3 LYS A 111 66.366 11.260 -11.913 1.00 42.02 H new ATOM 0 HD2 LYS A 111 65.009 10.347 -9.936 1.00 42.54 H new ATOM 0 HD3 LYS A 111 66.436 10.543 -8.938 1.00 42.54 H new ATOM 0 HE2 LYS A 111 66.492 13.022 -9.664 1.00 42.77 H new ATOM 0 HE3 LYS A 111 64.935 12.768 -10.427 1.00 42.77 H new ATOM 0 HZ1 LYS A 111 64.667 13.474 -8.105 1.00 43.28 H new ATOM 0 HZ2 LYS A 111 64.070 11.898 -8.310 1.00 43.28 H new ATOM 0 HZ3 LYS A 111 65.578 12.144 -7.570 1.00 43.28 H new ATOM 1784 N GLN A 112 69.107 6.518 -10.154 1.00 41.31 N ATOM 1785 CA GLN A 112 69.294 5.045 -10.332 1.00 41.41 C ATOM 1786 C GLN A 112 69.984 4.448 -9.102 1.00 41.86 C ATOM 1787 O GLN A 112 70.851 5.063 -8.509 1.00 42.27 O ATOM 1788 CB GLN A 112 70.184 4.904 -11.568 1.00 41.42 C ATOM 1789 CG GLN A 112 69.383 5.273 -12.819 1.00 41.20 C ATOM 1790 CD GLN A 112 70.280 5.154 -14.053 1.00 41.15 C ATOM 1791 OE1 GLN A 112 70.999 6.075 -14.386 1.00 41.31 O ATOM 1792 NE2 GLN A 112 70.268 4.051 -14.749 1.00 41.01 N ATOM 0 H GLN A 112 69.895 7.003 -9.725 1.00 41.31 H new ATOM 0 HA GLN A 112 68.346 4.520 -10.451 1.00 41.41 H new ATOM 0 HB2 GLN A 112 71.056 5.552 -11.477 1.00 41.42 H new ATOM 0 HB3 GLN A 112 70.554 3.882 -11.648 1.00 41.42 H new ATOM 0 HG2 GLN A 112 68.520 4.614 -12.919 1.00 41.20 H new ATOM 0 HG3 GLN A 112 69.000 6.290 -12.732 1.00 41.20 H new ATOM 0 HE21 GLN A 112 69.664 3.278 -14.469 1.00 41.01 H new ATOM 0 HE22 GLN A 112 70.862 3.961 -15.573 1.00 41.01 H new ATOM 1801 N VAL A 113 69.603 3.253 -8.719 1.00 41.84 N ATOM 1802 CA VAL A 113 70.242 2.594 -7.537 1.00 42.32 C ATOM 1803 C VAL A 113 70.509 1.111 -7.837 1.00 42.53 C ATOM 1804 O VAL A 113 69.684 0.431 -8.418 1.00 42.48 O ATOM 1805 CB VAL A 113 69.231 2.768 -6.388 1.00 42.24 C ATOM 1806 CG1 VAL A 113 67.915 2.050 -6.716 1.00 42.13 C ATOM 1807 CG2 VAL A 113 69.816 2.189 -5.096 1.00 42.37 C ATOM 0 H VAL A 113 68.875 2.704 -9.176 1.00 41.84 H new ATOM 0 HA VAL A 113 71.208 3.031 -7.283 1.00 42.32 H new ATOM 0 HB VAL A 113 69.031 3.832 -6.259 1.00 42.24 H new ATOM 0 HG11 VAL A 113 67.213 2.184 -5.893 1.00 42.13 H new ATOM 0 HG12 VAL A 113 67.489 2.469 -7.628 1.00 42.13 H new ATOM 0 HG13 VAL A 113 68.107 0.987 -6.860 1.00 42.13 H new ATOM 0 HG21 VAL A 113 69.099 2.313 -4.284 1.00 42.37 H new ATOM 0 HG22 VAL A 113 70.027 1.129 -5.235 1.00 42.37 H new ATOM 0 HG23 VAL A 113 70.739 2.713 -4.848 1.00 42.37 H new ATOM 1817 N PHE A 114 71.657 0.614 -7.443 1.00 42.81 N ATOM 1818 CA PHE A 114 71.983 -0.825 -7.685 1.00 43.08 C ATOM 1819 C PHE A 114 71.502 -1.682 -6.510 1.00 43.16 C ATOM 1820 O PHE A 114 70.858 -2.697 -6.697 1.00 43.20 O ATOM 1821 CB PHE A 114 73.507 -0.878 -7.799 1.00 43.45 C ATOM 1822 CG PHE A 114 74.047 -0.138 -9.000 1.00 43.53 C ATOM 1823 CD1 PHE A 114 74.507 1.194 -8.863 1.00 43.78 C ATOM 1824 CD2 PHE A 114 74.093 -0.777 -10.264 1.00 43.39 C ATOM 1825 CE1 PHE A 114 75.014 1.888 -9.988 1.00 43.92 C ATOM 1826 CE2 PHE A 114 74.600 -0.083 -11.389 1.00 43.53 C ATOM 1827 CZ PHE A 114 75.059 1.249 -11.252 1.00 43.80 C ATOM 0 H PHE A 114 72.383 1.145 -6.963 1.00 42.81 H new ATOM 0 HA PHE A 114 71.496 -1.211 -8.581 1.00 43.08 H new ATOM 0 HB2 PHE A 114 73.946 -0.456 -6.895 1.00 43.45 H new ATOM 0 HB3 PHE A 114 73.824 -1.920 -7.851 1.00 43.45 H new ATOM 0 HD1 PHE A 114 74.471 1.681 -7.900 1.00 43.78 H new ATOM 0 HD2 PHE A 114 73.742 -1.793 -10.369 1.00 43.39 H new ATOM 0 HE1 PHE A 114 75.366 2.904 -9.883 1.00 43.92 H new ATOM 0 HE2 PHE A 114 74.637 -0.570 -12.352 1.00 43.53 H new ATOM 0 HZ PHE A 114 75.444 1.778 -12.111 1.00 43.80 H new ATOM 1837 N ALA A 115 71.811 -1.274 -5.303 1.00 43.24 N ATOM 1838 CA ALA A 115 71.384 -2.058 -4.103 1.00 43.39 C ATOM 1839 C ALA A 115 70.287 -1.307 -3.343 1.00 43.31 C ATOM 1840 O ALA A 115 70.257 -0.090 -3.328 1.00 43.17 O ATOM 1841 CB ALA A 115 72.641 -2.184 -3.244 1.00 43.40 C ATOM 0 H ALA A 115 72.343 -0.428 -5.097 1.00 43.24 H new ATOM 0 HA ALA A 115 70.974 -3.032 -4.371 1.00 43.39 H new ATOM 0 HB1 ALA A 115 72.409 -2.749 -2.341 1.00 43.40 H new ATOM 0 HB2 ALA A 115 73.416 -2.703 -3.808 1.00 43.40 H new ATOM 0 HB3 ALA A 115 72.995 -1.190 -2.970 1.00 43.40 H new ATOM 1847 N GLU A 116 69.389 -2.026 -2.715 1.00 43.45 N ATOM 1848 CA GLU A 116 68.291 -1.366 -1.946 1.00 43.45 C ATOM 1849 C GLU A 116 68.605 -1.394 -0.447 1.00 43.55 C ATOM 1850 O GLU A 116 69.129 -2.366 0.066 1.00 43.68 O ATOM 1851 CB GLU A 116 67.042 -2.197 -2.248 1.00 43.41 C ATOM 1852 CG GLU A 116 65.804 -1.479 -1.702 1.00 43.75 C ATOM 1853 CD GLU A 116 65.499 -0.244 -2.557 1.00 43.54 C ATOM 1854 OE1 GLU A 116 65.673 -0.320 -3.762 1.00 43.57 O ATOM 1855 OE2 GLU A 116 65.096 0.758 -1.989 1.00 43.42 O ATOM 0 H GLU A 116 69.370 -3.046 -2.703 1.00 43.45 H new ATOM 0 HA GLU A 116 68.162 -0.320 -2.224 1.00 43.45 H new ATOM 0 HB2 GLU A 116 66.944 -2.347 -3.323 1.00 43.41 H new ATOM 0 HB3 GLU A 116 67.131 -3.185 -1.795 1.00 43.41 H new ATOM 0 HG2 GLU A 116 64.949 -2.155 -1.706 1.00 43.75 H new ATOM 0 HG3 GLU A 116 65.971 -1.183 -0.666 1.00 43.75 H new ATOM 1862 N PHE A 117 68.287 -0.332 0.255 1.00 43.55 N ATOM 1863 CA PHE A 117 68.572 -0.281 1.723 1.00 43.71 C ATOM 1864 C PHE A 117 67.715 0.795 2.402 1.00 43.54 C ATOM 1865 O PHE A 117 67.173 0.579 3.470 1.00 43.79 O ATOM 1866 CB PHE A 117 70.063 0.060 1.834 1.00 43.94 C ATOM 1867 CG PHE A 117 70.447 1.363 1.168 1.00 44.31 C ATOM 1868 CD1 PHE A 117 70.512 2.555 1.931 1.00 44.63 C ATOM 1869 CD2 PHE A 117 70.742 1.391 -0.217 1.00 44.40 C ATOM 1870 CE1 PHE A 117 70.873 3.775 1.308 1.00 45.05 C ATOM 1871 CE2 PHE A 117 71.102 2.611 -0.839 1.00 44.81 C ATOM 1872 CZ PHE A 117 71.167 3.802 -0.077 1.00 45.14 C ATOM 0 H PHE A 117 67.842 0.502 -0.127 1.00 43.55 H new ATOM 0 HA PHE A 117 68.336 -1.224 2.217 1.00 43.71 H new ATOM 0 HB2 PHE A 117 70.337 0.108 2.888 1.00 43.94 H new ATOM 0 HB3 PHE A 117 70.644 -0.748 1.390 1.00 43.94 H new ATOM 0 HD1 PHE A 117 70.286 2.534 2.987 1.00 44.63 H new ATOM 0 HD2 PHE A 117 70.692 0.482 -0.798 1.00 44.40 H new ATOM 0 HE1 PHE A 117 70.924 4.684 1.889 1.00 45.05 H new ATOM 0 HE2 PHE A 117 71.327 2.633 -1.895 1.00 44.81 H new ATOM 0 HZ PHE A 117 71.441 4.732 -0.552 1.00 45.14 H new ATOM 1882 N ARG A 118 67.587 1.954 1.786 1.00 43.19 N ATOM 1883 CA ARG A 118 66.777 3.074 2.385 1.00 43.07 C ATOM 1884 C ARG A 118 67.213 3.358 3.830 1.00 43.26 C ATOM 1885 O ARG A 118 66.738 2.735 4.763 1.00 43.19 O ATOM 1886 CB ARG A 118 65.321 2.597 2.345 1.00 42.62 C ATOM 1887 CG ARG A 118 64.862 2.466 0.891 1.00 42.54 C ATOM 1888 CD ARG A 118 63.378 2.091 0.855 1.00 42.16 C ATOM 1889 NE ARG A 118 63.088 1.784 -0.581 1.00 42.17 N ATOM 1890 CZ ARG A 118 62.942 2.741 -1.478 1.00 41.97 C ATOM 1891 NH1 ARG A 118 63.058 4.011 -1.158 1.00 42.05 N ATOM 1892 NH2 ARG A 118 62.682 2.419 -2.716 1.00 41.74 N ATOM 0 H ARG A 118 68.013 2.173 0.886 1.00 43.19 H new ATOM 0 HA ARG A 118 66.914 4.003 1.832 1.00 43.07 H new ATOM 0 HB2 ARG A 118 65.228 1.637 2.854 1.00 42.62 H new ATOM 0 HB3 ARG A 118 64.682 3.303 2.876 1.00 42.62 H new ATOM 0 HG2 ARG A 118 65.024 3.405 0.362 1.00 42.54 H new ATOM 0 HG3 ARG A 118 65.452 1.706 0.379 1.00 42.54 H new ATOM 0 HD2 ARG A 118 63.173 1.230 1.491 1.00 42.16 H new ATOM 0 HD3 ARG A 118 62.756 2.910 1.217 1.00 42.16 H new ATOM 0 HE ARG A 118 63.001 0.811 -0.874 1.00 42.17 H new ATOM 0 HH11 ARG A 118 63.266 4.278 -0.196 1.00 42.05 H new ATOM 0 HH12 ARG A 118 62.940 4.730 -1.872 1.00 42.05 H new ATOM 0 HH21 ARG A 118 62.594 1.438 -2.980 1.00 41.74 H new ATOM 0 HH22 ARG A 118 62.567 3.149 -3.419 1.00 41.74 H new ATOM 1906 N GLU A 119 68.113 4.294 4.014 1.00 43.54 N ATOM 1907 CA GLU A 119 68.592 4.626 5.396 1.00 43.79 C ATOM 1908 C GLU A 119 67.458 5.254 6.213 1.00 43.69 C ATOM 1909 O GLU A 119 67.326 5.006 7.398 1.00 43.55 O ATOM 1910 CB GLU A 119 69.733 5.630 5.202 1.00 44.35 C ATOM 1911 CG GLU A 119 70.435 5.875 6.541 1.00 44.71 C ATOM 1912 CD GLU A 119 71.486 6.976 6.377 1.00 44.52 C ATOM 1913 OE1 GLU A 119 72.574 6.813 6.902 1.00 44.64 O ATOM 1914 OE2 GLU A 119 71.183 7.966 5.728 1.00 44.30 O ATOM 0 H GLU A 119 68.538 4.844 3.267 1.00 43.54 H new ATOM 0 HA GLU A 119 68.923 3.739 5.937 1.00 43.79 H new ATOM 0 HB2 GLU A 119 70.446 5.249 4.471 1.00 44.35 H new ATOM 0 HB3 GLU A 119 69.342 6.568 4.808 1.00 44.35 H new ATOM 0 HG2 GLU A 119 69.706 6.164 7.298 1.00 44.71 H new ATOM 0 HG3 GLU A 119 70.907 4.956 6.889 1.00 44.71 H new ATOM 1921 N LYS A 120 66.641 6.065 5.584 1.00 43.82 N ATOM 1922 CA LYS A 120 65.504 6.713 6.311 1.00 43.79 C ATOM 1923 C LYS A 120 64.231 6.674 5.454 1.00 43.79 C ATOM 1924 O LYS A 120 64.292 6.539 4.247 1.00 44.17 O ATOM 1925 CB LYS A 120 65.957 8.160 6.567 1.00 43.87 C ATOM 1926 CG LYS A 120 66.244 8.878 5.242 1.00 44.06 C ATOM 1927 CD LYS A 120 66.818 10.267 5.528 1.00 44.12 C ATOM 1928 CE LYS A 120 66.850 11.085 4.235 1.00 43.95 C ATOM 1929 NZ LYS A 120 67.499 12.372 4.609 1.00 44.34 N ATOM 0 H LYS A 120 66.713 6.306 4.596 1.00 43.82 H new ATOM 0 HA LYS A 120 65.265 6.200 7.243 1.00 43.79 H new ATOM 0 HB2 LYS A 120 65.185 8.697 7.118 1.00 43.87 H new ATOM 0 HB3 LYS A 120 66.852 8.162 7.189 1.00 43.87 H new ATOM 0 HG2 LYS A 120 66.949 8.297 4.647 1.00 44.06 H new ATOM 0 HG3 LYS A 120 65.328 8.965 4.657 1.00 44.06 H new ATOM 0 HD2 LYS A 120 66.211 10.775 6.277 1.00 44.12 H new ATOM 0 HD3 LYS A 120 67.824 10.178 5.939 1.00 44.12 H new ATOM 0 HE2 LYS A 120 67.413 10.571 3.456 1.00 43.95 H new ATOM 0 HE3 LYS A 120 65.845 11.248 3.846 1.00 43.95 H new ATOM 0 HZ1 LYS A 120 67.557 12.987 3.773 1.00 44.34 H new ATOM 0 HZ2 LYS A 120 66.937 12.843 5.347 1.00 44.34 H new ATOM 0 HZ3 LYS A 120 68.457 12.186 4.969 1.00 44.34 H new ATOM 1943 N ASP A 121 63.077 6.794 6.079 1.00 43.42 N ATOM 1944 CA ASP A 121 61.773 6.758 5.328 1.00 43.46 C ATOM 1945 C ASP A 121 61.666 5.485 4.475 1.00 43.32 C ATOM 1946 O ASP A 121 62.161 5.492 3.358 1.00 43.24 O ATOM 1947 CB ASP A 121 61.769 8.013 4.442 1.00 43.08 C ATOM 1948 CG ASP A 121 60.385 8.193 3.815 1.00 42.43 C ATOM 1949 OD1 ASP A 121 59.530 8.765 4.471 1.00 41.98 O ATOM 1950 OD2 ASP A 121 60.206 7.759 2.689 1.00 42.45 O ATOM 1951 OXT ASP A 121 61.088 4.523 4.956 1.00 43.34 O ATOM 0 H ASP A 121 62.982 6.917 7.087 1.00 43.42 H new ATOM 0 HA ASP A 121 60.921 6.745 6.007 1.00 43.46 H new ATOM 0 HB2 ASP A 121 62.028 8.890 5.035 1.00 43.08 H new ATOM 0 HB3 ASP A 121 62.524 7.922 3.661 1.00 43.08 H new TER 1956 ASP A 121