USER MOD reduce.3.24.130724 H: found=0, std=0, add=730, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 730 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 67 TYR OH : rot 70:sc= -0.257 USER MOD Set 1.2: A 76 ASN : amide:sc= -0.293 X(o=-0.55,f=-0.29) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 6 SER OG : rot -35:sc= 0.116 USER MOD Single : A 9 ASN : amide:sc= -2.77! C(o=-2.8!,f=-4.3!) USER MOD Single : A 10 ASN : amide:sc= 0.119 X(o=0.12,f=0) USER MOD Single : A 11 ASN : amide:sc= 0.115 K(o=0.12,f=-4.8!) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 17 ASN : amide:sc= -0.342 X(o=-0.34,f=-0.045) USER MOD Single : A 18 ASN : amide:sc= -0.859 K(o=-0.86,f=-1.4) USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HD1:sc= 0 X(o=0,f=-0.0014) USER MOD Single : A 24 GLN : amide:sc=-0.00061 X(o=-0.00061,f=-0.5) USER MOD Single : A 26 LYS NZ :NH3+ -178:sc= 1.23 (180deg=1.21) USER MOD Single : A 29 SER OG : rot -170:sc= -0.486 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0717) USER MOD Single : A 43 THR OG1 : rot 180:sc= -0.175 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= 1.25 (180deg=0.572) USER MOD Single : A 49 MET CE :methyl -126:sc= -0.0269 (180deg=-2.08!) USER MOD Single : A 52 TYR OH : rot 30:sc= -0.25 USER MOD Single : A 53 CYS SG : rot 44:sc= -1.58 USER MOD Single : A 54 ASN : amide:sc= 0.142 X(o=0.14,f=-0.12) USER MOD Single : A 58 GLN : amide:sc= -1.07 K(o=-1.1,f=0) USER MOD Single : A 59 SER OG : rot 88:sc= 1.08 USER MOD Single : A 60 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 77 THR OG1 : rot 120:sc= -0.441 USER MOD Single : A 80 GLN : amide:sc= -0.165 X(o=-0.17,f=-0.4) USER MOD Single : A 92 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 94 GLN : amide:sc= -0.566 K(o=-0.57,f=-2.5!) USER MOD Single : A 95 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.417 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.287 1.126 1.529 1.00 22.50 N ATOM 2 CA MET A 1 2.755 0.624 0.217 1.00 4.31 C ATOM 3 C MET A 1 4.157 0.051 0.374 1.00 31.13 C ATOM 4 O MET A 1 5.154 0.763 0.234 1.00 31.30 O ATOM 5 CB MET A 1 2.737 1.756 -0.816 1.00 3.53 C ATOM 6 CG MET A 1 2.865 1.287 -2.254 1.00 31.30 C ATOM 7 SD MET A 1 2.598 2.631 -3.427 1.00 55.35 S ATOM 8 CE MET A 1 2.742 1.765 -4.985 1.00 32.41 C ATOM 0 H1 MET A 1 1.329 1.519 1.429 1.00 22.50 H new ATOM 0 H2 MET A 1 2.270 0.344 2.214 1.00 22.50 H new ATOM 0 H3 MET A 1 2.932 1.868 1.867 1.00 22.50 H new ATOM 0 HA MET A 1 2.089 -0.163 -0.137 1.00 4.31 H new ATOM 0 HB2 MET A 1 1.808 2.316 -0.709 1.00 3.53 H new ATOM 0 HB3 MET A 1 3.552 2.446 -0.597 1.00 3.53 H new ATOM 0 HG2 MET A 1 3.856 0.861 -2.410 1.00 31.30 H new ATOM 0 HG3 MET A 1 2.143 0.492 -2.442 1.00 31.30 H new ATOM 0 HE1 MET A 1 2.600 2.467 -5.806 1.00 32.41 H new ATOM 0 HE2 MET A 1 3.731 1.314 -5.060 1.00 32.41 H new ATOM 0 HE3 MET A 1 1.983 0.985 -5.039 1.00 32.41 H new ATOM 20 N GLY A 2 4.222 -1.240 0.671 1.00 51.35 N ATOM 21 CA GLY A 2 5.460 -1.843 1.118 1.00 20.12 C ATOM 22 C GLY A 2 6.448 -2.116 0.006 1.00 3.42 C ATOM 23 O GLY A 2 6.274 -3.055 -0.774 1.00 72.34 O ATOM 0 H GLY A 2 3.433 -1.883 0.609 1.00 51.35 H new ATOM 0 HA2 GLY A 2 5.927 -1.187 1.852 1.00 20.12 H new ATOM 0 HA3 GLY A 2 5.233 -2.780 1.627 1.00 20.12 H new ATOM 27 N ASP A 3 7.483 -1.290 -0.072 1.00 51.14 N ATOM 28 CA ASP A 3 8.602 -1.559 -0.964 1.00 23.31 C ATOM 29 C ASP A 3 9.699 -2.262 -0.176 1.00 50.44 C ATOM 30 O ASP A 3 9.932 -1.953 0.998 1.00 34.31 O ATOM 31 CB ASP A 3 9.140 -0.272 -1.608 1.00 64.10 C ATOM 32 CG ASP A 3 10.028 0.540 -0.684 1.00 11.45 C ATOM 33 OD1 ASP A 3 11.263 0.358 -0.730 1.00 60.21 O ATOM 34 OD2 ASP A 3 9.497 1.370 0.083 1.00 44.43 O1- ATOM 0 H ASP A 3 7.571 -0.430 0.470 1.00 51.14 H new ATOM 0 HA ASP A 3 8.257 -2.199 -1.776 1.00 23.31 H new ATOM 0 HB2 ASP A 3 9.703 -0.531 -2.505 1.00 64.10 H new ATOM 0 HB3 ASP A 3 8.299 0.345 -1.926 1.00 64.10 H new ATOM 39 N ASP A 4 10.344 -3.228 -0.801 1.00 42.13 N ATOM 40 CA ASP A 4 11.372 -4.014 -0.127 1.00 42.23 C ATOM 41 C ASP A 4 12.709 -3.286 -0.125 1.00 41.44 C ATOM 42 O ASP A 4 13.520 -3.472 0.776 1.00 43.45 O ATOM 43 CB ASP A 4 11.523 -5.377 -0.802 1.00 23.13 C ATOM 44 CG ASP A 4 12.514 -6.277 -0.089 1.00 34.43 C ATOM 45 OD1 ASP A 4 12.146 -6.876 0.947 1.00 1.52 O ATOM 46 OD2 ASP A 4 13.657 -6.409 -0.570 1.00 73.11 O1- ATOM 0 H ASP A 4 10.178 -3.491 -1.773 1.00 42.13 H new ATOM 0 HA ASP A 4 11.060 -4.157 0.907 1.00 42.23 H new ATOM 0 HB2 ASP A 4 10.551 -5.870 -0.838 1.00 23.13 H new ATOM 0 HB3 ASP A 4 11.846 -5.233 -1.833 1.00 23.13 H new ATOM 51 N ASP A 5 12.907 -2.428 -1.119 1.00 2.43 N ATOM 52 CA ASP A 5 14.191 -1.756 -1.330 1.00 43.12 C ATOM 53 C ASP A 5 14.601 -0.932 -0.114 1.00 43.42 C ATOM 54 O ASP A 5 15.759 -0.953 0.301 1.00 12.20 O ATOM 55 CB ASP A 5 14.125 -0.844 -2.560 1.00 4.51 C ATOM 56 CG ASP A 5 13.733 -1.579 -3.828 1.00 13.40 C ATOM 57 OD1 ASP A 5 14.613 -2.203 -4.458 1.00 21.00 O ATOM 58 OD2 ASP A 5 12.545 -1.511 -4.215 1.00 72.02 O1- ATOM 0 H ASP A 5 12.189 -2.177 -1.799 1.00 2.43 H new ATOM 0 HA ASP A 5 14.939 -2.533 -1.490 1.00 43.12 H new ATOM 0 HB2 ASP A 5 13.407 -0.045 -2.374 1.00 4.51 H new ATOM 0 HB3 ASP A 5 15.096 -0.372 -2.707 1.00 4.51 H new ATOM 63 N SER A 6 13.650 -0.218 0.465 1.00 31.21 N ATOM 64 CA SER A 6 13.935 0.657 1.594 1.00 75.43 C ATOM 65 C SER A 6 14.171 -0.142 2.880 1.00 1.51 C ATOM 66 O SER A 6 14.636 0.405 3.881 1.00 15.24 O ATOM 67 CB SER A 6 12.783 1.649 1.784 1.00 61.25 C ATOM 68 OG SER A 6 13.107 2.657 2.729 1.00 65.03 O ATOM 0 H SER A 6 12.673 -0.226 0.173 1.00 31.21 H new ATOM 0 HA SER A 6 14.852 1.205 1.377 1.00 75.43 H new ATOM 0 HB2 SER A 6 12.540 2.112 0.827 1.00 61.25 H new ATOM 0 HB3 SER A 6 11.893 1.114 2.114 1.00 61.25 H new ATOM 0 HG SER A 6 13.661 2.273 3.440 1.00 65.03 H new ATOM 74 N ALA A 7 13.872 -1.433 2.853 1.00 34.43 N ATOM 75 CA ALA A 7 13.976 -2.252 4.055 1.00 30.12 C ATOM 76 C ALA A 7 14.801 -3.510 3.809 1.00 5.25 C ATOM 77 O ALA A 7 14.797 -4.430 4.627 1.00 2.14 O ATOM 78 CB ALA A 7 12.588 -2.619 4.557 1.00 62.41 C ATOM 0 H ALA A 7 13.558 -1.933 2.021 1.00 34.43 H new ATOM 0 HA ALA A 7 14.490 -1.666 4.816 1.00 30.12 H new ATOM 0 HB1 ALA A 7 12.676 -3.231 5.455 1.00 62.41 H new ATOM 0 HB2 ALA A 7 12.033 -1.710 4.790 1.00 62.41 H new ATOM 0 HB3 ALA A 7 12.059 -3.180 3.786 1.00 62.41 H new ATOM 84 N VAL A 8 15.536 -3.533 2.706 1.00 43.34 N ATOM 85 CA VAL A 8 16.277 -4.725 2.305 1.00 15.15 C ATOM 86 C VAL A 8 17.564 -4.892 3.123 1.00 12.31 C ATOM 87 O VAL A 8 18.166 -5.973 3.137 1.00 74.32 O ATOM 88 CB VAL A 8 16.613 -4.687 0.793 1.00 25.01 C ATOM 89 CG1 VAL A 8 17.618 -3.588 0.480 1.00 43.30 C ATOM 90 CG2 VAL A 8 17.121 -6.038 0.308 1.00 20.23 C ATOM 0 H VAL A 8 15.636 -2.741 2.072 1.00 43.34 H new ATOM 0 HA VAL A 8 15.635 -5.583 2.502 1.00 15.15 H new ATOM 0 HB VAL A 8 15.691 -4.462 0.257 1.00 25.01 H new ATOM 0 HG11 VAL A 8 17.834 -3.586 -0.588 1.00 43.30 H new ATOM 0 HG12 VAL A 8 17.203 -2.622 0.768 1.00 43.30 H new ATOM 0 HG13 VAL A 8 18.538 -3.767 1.036 1.00 43.30 H new ATOM 0 HG21 VAL A 8 17.348 -5.980 -0.756 1.00 20.23 H new ATOM 0 HG22 VAL A 8 18.023 -6.306 0.858 1.00 20.23 H new ATOM 0 HG23 VAL A 8 16.356 -6.796 0.475 1.00 20.23 H new ATOM 100 N ASN A 9 17.968 -3.823 3.817 1.00 73.11 N ATOM 101 CA ASN A 9 19.208 -3.820 4.598 1.00 51.02 C ATOM 102 C ASN A 9 20.404 -3.975 3.649 1.00 64.13 C ATOM 103 O ASN A 9 20.262 -3.747 2.448 1.00 73.51 O ATOM 104 CB ASN A 9 19.165 -4.932 5.669 1.00 42.32 C ATOM 105 CG ASN A 9 20.323 -4.877 6.655 1.00 31.03 C ATOM 106 OD1 ASN A 9 20.878 -3.812 6.927 1.00 42.25 O ATOM 107 ND2 ASN A 9 20.696 -6.025 7.196 1.00 75.34 N ATOM 0 H ASN A 9 17.451 -2.945 3.853 1.00 73.11 H new ATOM 0 HA ASN A 9 19.317 -2.872 5.125 1.00 51.02 H new ATOM 0 HB2 ASN A 9 18.227 -4.858 6.219 1.00 42.32 H new ATOM 0 HB3 ASN A 9 19.168 -5.902 5.173 1.00 42.32 H new ATOM 0 HD21 ASN A 9 21.467 -6.048 7.863 1.00 75.34 H new ATOM 0 HD22 ASN A 9 20.212 -6.888 6.946 1.00 75.34 H new ATOM 114 N ASN A 10 21.577 -4.326 4.181 1.00 43.44 N ATOM 115 CA ASN A 10 22.783 -4.517 3.370 1.00 50.40 C ATOM 116 C ASN A 10 23.252 -3.189 2.790 1.00 42.40 C ATOM 117 O ASN A 10 23.949 -3.148 1.774 1.00 61.42 O ATOM 118 CB ASN A 10 22.546 -5.531 2.243 1.00 32.33 C ATOM 119 CG ASN A 10 22.269 -6.932 2.756 1.00 0.03 C ATOM 120 OD1 ASN A 10 23.189 -7.721 2.970 1.00 53.23 O ATOM 121 ND2 ASN A 10 20.999 -7.253 2.956 1.00 71.34 N ATOM 0 H ASN A 10 21.718 -4.485 5.179 1.00 43.44 H new ATOM 0 HA ASN A 10 23.561 -4.914 4.023 1.00 50.40 H new ATOM 0 HB2 ASN A 10 21.705 -5.200 1.634 1.00 32.33 H new ATOM 0 HB3 ASN A 10 23.420 -5.554 1.593 1.00 32.33 H new ATOM 0 HD21 ASN A 10 20.756 -8.182 3.299 1.00 71.34 H new ATOM 0 HD22 ASN A 10 20.265 -6.571 2.767 1.00 71.34 H new ATOM 128 N ASN A 11 22.875 -2.107 3.453 1.00 64.45 N ATOM 129 CA ASN A 11 23.280 -0.770 3.044 1.00 44.14 C ATOM 130 C ASN A 11 24.740 -0.524 3.401 1.00 71.32 C ATOM 131 O ASN A 11 25.295 -1.178 4.290 1.00 5.03 O ATOM 132 CB ASN A 11 22.397 0.300 3.703 1.00 73.31 C ATOM 133 CG ASN A 11 22.450 0.267 5.223 1.00 15.31 C ATOM 134 OD1 ASN A 11 22.563 -0.797 5.836 1.00 5.41 O ATOM 135 ND2 ASN A 11 22.393 1.433 5.844 1.00 12.32 N ATOM 0 H ASN A 11 22.284 -2.129 4.284 1.00 64.45 H new ATOM 0 HA ASN A 11 23.159 -0.701 1.963 1.00 44.14 H new ATOM 0 HB2 ASN A 11 22.710 1.285 3.356 1.00 73.31 H new ATOM 0 HB3 ASN A 11 21.366 0.161 3.379 1.00 73.31 H new ATOM 0 HD21 ASN A 11 22.443 1.472 6.862 1.00 12.32 H new ATOM 0 HD22 ASN A 11 22.299 2.294 5.305 1.00 12.32 H new ATOM 142 N GLY A 12 25.360 0.408 2.701 1.00 2.42 N ATOM 143 CA GLY A 12 26.746 0.727 2.952 1.00 22.23 C ATOM 144 C GLY A 12 27.520 0.903 1.668 1.00 21.04 C ATOM 145 O GLY A 12 27.038 0.550 0.590 1.00 60.41 O ATOM 0 H GLY A 12 24.924 0.954 1.957 1.00 2.42 H new ATOM 0 HA2 GLY A 12 26.808 1.641 3.542 1.00 22.23 H new ATOM 0 HA3 GLY A 12 27.200 -0.067 3.545 1.00 22.23 H new ATOM 149 N SER A 13 28.712 1.456 1.771 1.00 3.41 N ATOM 150 CA SER A 13 29.558 1.654 0.610 1.00 21.33 C ATOM 151 C SER A 13 30.962 1.123 0.875 1.00 4.04 C ATOM 152 O SER A 13 31.756 1.746 1.582 1.00 44.31 O ATOM 153 CB SER A 13 29.600 3.136 0.234 1.00 33.55 C ATOM 154 OG SER A 13 28.289 3.627 -0.006 1.00 73.34 O ATOM 0 H SER A 13 29.118 1.777 2.650 1.00 3.41 H new ATOM 0 HA SER A 13 29.138 1.097 -0.228 1.00 21.33 H new ATOM 0 HB2 SER A 13 30.067 3.707 1.036 1.00 33.55 H new ATOM 0 HB3 SER A 13 30.215 3.274 -0.656 1.00 33.55 H new ATOM 0 HG SER A 13 28.334 4.577 -0.244 1.00 73.34 H new ATOM 160 N SER A 14 31.246 -0.047 0.331 1.00 10.51 N ATOM 161 CA SER A 14 32.555 -0.654 0.471 1.00 34.30 C ATOM 162 C SER A 14 33.520 -0.037 -0.537 1.00 35.42 C ATOM 163 O SER A 14 33.087 0.544 -1.534 1.00 2.55 O ATOM 164 CB SER A 14 32.451 -2.170 0.270 1.00 20.33 C ATOM 165 OG SER A 14 31.921 -2.490 -1.009 1.00 63.33 O ATOM 0 H SER A 14 30.583 -0.597 -0.215 1.00 10.51 H new ATOM 0 HA SER A 14 32.937 -0.467 1.474 1.00 34.30 H new ATOM 0 HB2 SER A 14 33.437 -2.621 0.380 1.00 20.33 H new ATOM 0 HB3 SER A 14 31.816 -2.598 1.046 1.00 20.33 H new ATOM 0 HG SER A 14 31.869 -3.464 -1.107 1.00 63.33 H new ATOM 171 N PRO A 15 34.838 -0.144 -0.299 1.00 43.23 N ATOM 172 CA PRO A 15 35.854 0.407 -1.204 1.00 53.15 C ATOM 173 C PRO A 15 35.991 -0.400 -2.496 1.00 43.11 C ATOM 174 O PRO A 15 37.100 -0.704 -2.939 1.00 11.24 O ATOM 175 CB PRO A 15 37.139 0.324 -0.379 1.00 15.51 C ATOM 176 CG PRO A 15 36.913 -0.807 0.561 1.00 72.24 C ATOM 177 CD PRO A 15 35.444 -0.798 0.877 1.00 32.21 C ATOM 0 HA PRO A 15 35.603 1.416 -1.532 1.00 53.15 H new ATOM 0 HB2 PRO A 15 38.006 0.144 -1.014 1.00 15.51 H new ATOM 0 HB3 PRO A 15 37.325 1.254 0.158 1.00 15.51 H new ATOM 0 HG2 PRO A 15 37.209 -1.754 0.110 1.00 72.24 H new ATOM 0 HG3 PRO A 15 37.507 -0.686 1.467 1.00 72.24 H new ATOM 0 HD2 PRO A 15 35.058 -1.808 1.017 1.00 32.21 H new ATOM 0 HD3 PRO A 15 35.235 -0.247 1.794 1.00 32.21 H new ATOM 185 N VAL A 16 34.859 -0.731 -3.102 1.00 73.43 N ATOM 186 CA VAL A 16 34.842 -1.449 -4.366 1.00 41.52 C ATOM 187 C VAL A 16 35.049 -0.467 -5.530 1.00 20.23 C ATOM 188 O VAL A 16 34.133 -0.150 -6.293 1.00 31.41 O ATOM 189 CB VAL A 16 33.534 -2.276 -4.526 1.00 73.00 C ATOM 190 CG1 VAL A 16 32.292 -1.402 -4.415 1.00 23.45 C ATOM 191 CG2 VAL A 16 33.530 -3.061 -5.829 1.00 24.42 C ATOM 0 H VAL A 16 33.934 -0.511 -2.733 1.00 73.43 H new ATOM 0 HA VAL A 16 35.666 -2.162 -4.377 1.00 41.52 H new ATOM 0 HB VAL A 16 33.507 -2.989 -3.702 1.00 73.00 H new ATOM 0 HG11 VAL A 16 31.401 -2.019 -4.533 1.00 23.45 H new ATOM 0 HG12 VAL A 16 32.273 -0.919 -3.438 1.00 23.45 H new ATOM 0 HG13 VAL A 16 32.312 -0.641 -5.195 1.00 23.45 H new ATOM 0 HG21 VAL A 16 32.602 -3.628 -5.910 1.00 24.42 H new ATOM 0 HG22 VAL A 16 33.608 -2.371 -6.669 1.00 24.42 H new ATOM 0 HG23 VAL A 16 34.377 -3.747 -5.843 1.00 24.42 H new ATOM 201 N ASN A 17 36.268 0.041 -5.618 1.00 45.13 N ATOM 202 CA ASN A 17 36.644 1.023 -6.625 1.00 33.31 C ATOM 203 C ASN A 17 38.145 1.253 -6.569 1.00 70.00 C ATOM 204 O ASN A 17 38.728 1.319 -5.484 1.00 60.40 O ATOM 205 CB ASN A 17 35.903 2.349 -6.396 1.00 13.42 C ATOM 206 CG ASN A 17 36.388 3.465 -7.309 1.00 11.51 C ATOM 207 OD1 ASN A 17 37.283 4.233 -6.955 1.00 42.20 O ATOM 208 ND2 ASN A 17 35.807 3.559 -8.493 1.00 55.34 N ATOM 0 H ASN A 17 37.029 -0.217 -4.990 1.00 45.13 H new ATOM 0 HA ASN A 17 36.367 0.642 -7.608 1.00 33.31 H new ATOM 0 HB2 ASN A 17 34.836 2.195 -6.555 1.00 13.42 H new ATOM 0 HB3 ASN A 17 36.030 2.655 -5.358 1.00 13.42 H new ATOM 0 HD21 ASN A 17 36.097 4.286 -9.147 1.00 55.34 H new ATOM 0 HD22 ASN A 17 35.069 2.905 -8.752 1.00 55.34 H new ATOM 215 N ASN A 18 38.774 1.351 -7.725 1.00 43.01 N ATOM 216 CA ASN A 18 40.202 1.615 -7.784 1.00 44.13 C ATOM 217 C ASN A 18 40.439 2.983 -8.412 1.00 4.42 C ATOM 218 O ASN A 18 39.586 3.492 -9.138 1.00 63.40 O ATOM 219 CB ASN A 18 40.940 0.510 -8.557 1.00 15.44 C ATOM 220 CG ASN A 18 40.621 0.492 -10.039 1.00 20.34 C ATOM 221 OD1 ASN A 18 41.321 1.107 -10.840 1.00 54.30 O ATOM 222 ND2 ASN A 18 39.571 -0.221 -10.410 1.00 4.32 N ATOM 0 H ASN A 18 38.322 1.252 -8.634 1.00 43.01 H new ATOM 0 HA ASN A 18 40.604 1.618 -6.771 1.00 44.13 H new ATOM 0 HB2 ASN A 18 42.014 0.642 -8.426 1.00 15.44 H new ATOM 0 HB3 ASN A 18 40.683 -0.458 -8.126 1.00 15.44 H new ATOM 0 HD21 ASN A 18 39.314 -0.276 -11.396 1.00 4.32 H new ATOM 0 HD22 ASN A 18 39.018 -0.716 -9.711 1.00 4.32 H new ATOM 229 N GLN A 19 41.592 3.577 -8.129 1.00 34.42 N ATOM 230 CA GLN A 19 41.874 4.947 -8.555 1.00 34.43 C ATOM 231 C GLN A 19 41.887 5.070 -10.076 1.00 51.44 C ATOM 232 O GLN A 19 41.365 6.037 -10.634 1.00 24.41 O ATOM 233 CB GLN A 19 43.209 5.422 -7.981 1.00 1.25 C ATOM 234 CG GLN A 19 43.289 5.323 -6.466 1.00 51.10 C ATOM 235 CD GLN A 19 44.527 5.991 -5.901 1.00 74.43 C ATOM 236 OE1 GLN A 19 45.585 5.372 -5.784 1.00 74.42 O ATOM 237 NE2 GLN A 19 44.403 7.255 -5.528 1.00 42.34 N ATOM 0 H GLN A 19 42.348 3.134 -7.607 1.00 34.42 H new ATOM 0 HA GLN A 19 41.074 5.581 -8.172 1.00 34.43 H new ATOM 0 HB2 GLN A 19 44.014 4.831 -8.418 1.00 1.25 H new ATOM 0 HB3 GLN A 19 43.375 6.457 -8.279 1.00 1.25 H new ATOM 0 HG2 GLN A 19 42.402 5.781 -6.029 1.00 51.10 H new ATOM 0 HG3 GLN A 19 43.282 4.273 -6.174 1.00 51.10 H new ATOM 0 HE21 GLN A 19 43.510 7.735 -5.641 1.00 42.34 H new ATOM 0 HE22 GLN A 19 45.201 7.749 -5.128 1.00 42.34 H new ATOM 246 N GLY A 20 42.463 4.076 -10.738 1.00 43.22 N ATOM 247 CA GLY A 20 42.565 4.105 -12.184 1.00 20.23 C ATOM 248 C GLY A 20 41.363 3.488 -12.876 1.00 14.50 C ATOM 249 O GLY A 20 41.457 3.071 -14.031 1.00 65.40 O ATOM 0 H GLY A 20 42.863 3.247 -10.298 1.00 43.22 H new ATOM 0 HA2 GLY A 20 42.677 5.138 -12.514 1.00 20.23 H new ATOM 0 HA3 GLY A 20 43.466 3.573 -12.490 1.00 20.23 H new ATOM 253 N GLU A 21 40.239 3.414 -12.169 1.00 70.43 N ATOM 254 CA GLU A 21 39.000 2.897 -12.746 1.00 25.21 C ATOM 255 C GLU A 21 38.404 3.923 -13.699 1.00 22.33 C ATOM 256 O GLU A 21 37.755 3.581 -14.688 1.00 73.10 O ATOM 257 CB GLU A 21 37.987 2.576 -11.642 1.00 73.02 C ATOM 258 CG GLU A 21 36.688 1.978 -12.157 1.00 64.22 C ATOM 259 CD GLU A 21 35.630 1.869 -11.082 1.00 15.43 C ATOM 260 OE1 GLU A 21 35.693 0.920 -10.273 1.00 54.01 O ATOM 261 OE2 GLU A 21 34.726 2.731 -11.043 1.00 14.31 O1- ATOM 0 H GLU A 21 40.160 3.706 -11.195 1.00 70.43 H new ATOM 0 HA GLU A 21 39.229 1.982 -13.293 1.00 25.21 H new ATOM 0 HB2 GLU A 21 38.441 1.881 -10.936 1.00 73.02 H new ATOM 0 HB3 GLU A 21 37.762 3.489 -11.091 1.00 73.02 H new ATOM 0 HG2 GLU A 21 36.309 2.592 -12.974 1.00 64.22 H new ATOM 0 HG3 GLU A 21 36.886 0.988 -12.568 1.00 64.22 H new ATOM 268 N HIS A 22 38.649 5.186 -13.393 1.00 3.23 N ATOM 269 CA HIS A 22 38.089 6.283 -14.164 1.00 12.43 C ATOM 270 C HIS A 22 39.035 6.678 -15.289 1.00 51.25 C ATOM 271 O HIS A 22 40.017 5.988 -15.554 1.00 12.05 O ATOM 272 CB HIS A 22 37.803 7.479 -13.250 1.00 71.14 C ATOM 273 CG HIS A 22 36.809 7.172 -12.168 1.00 44.35 C ATOM 274 ND1 HIS A 22 37.090 7.311 -10.825 1.00 50.21 N ATOM 275 CD2 HIS A 22 35.529 6.735 -12.236 1.00 44.15 C ATOM 276 CE1 HIS A 22 36.031 6.967 -10.117 1.00 41.13 C ATOM 277 NE2 HIS A 22 35.069 6.617 -10.948 1.00 12.14 N ATOM 0 H HIS A 22 39.236 5.478 -12.611 1.00 3.23 H new ATOM 0 HA HIS A 22 37.149 5.956 -14.609 1.00 12.43 H new ATOM 0 HB2 HIS A 22 38.736 7.811 -12.794 1.00 71.14 H new ATOM 0 HB3 HIS A 22 37.430 8.307 -13.852 1.00 71.14 H new ATOM 0 HD2 HIS A 22 34.973 6.519 -13.137 1.00 44.15 H new ATOM 0 HE1 HIS A 22 35.964 6.971 -9.039 1.00 41.13 H new ATOM 0 HE2 HIS A 22 34.135 6.309 -10.678 1.00 12.14 H new ATOM 286 N ILE A 23 38.750 7.792 -15.939 1.00 0.22 N ATOM 287 CA ILE A 23 39.524 8.209 -17.094 1.00 11.25 C ATOM 288 C ILE A 23 40.367 9.435 -16.741 1.00 22.25 C ATOM 289 O ILE A 23 40.059 10.163 -15.795 1.00 42.51 O ATOM 290 CB ILE A 23 38.597 8.528 -18.299 1.00 3.34 C ATOM 291 CG1 ILE A 23 37.573 7.404 -18.504 1.00 25.13 C ATOM 292 CG2 ILE A 23 39.406 8.737 -19.574 1.00 32.34 C ATOM 293 CD1 ILE A 23 38.193 6.059 -18.809 1.00 44.31 C ATOM 0 H ILE A 23 37.989 8.423 -15.687 1.00 0.22 H new ATOM 0 HA ILE A 23 40.183 7.389 -17.380 1.00 11.25 H new ATOM 0 HB ILE A 23 38.066 9.453 -18.075 1.00 3.34 H new ATOM 0 HG12 ILE A 23 36.960 7.316 -17.607 1.00 25.13 H new ATOM 0 HG13 ILE A 23 36.905 7.679 -19.320 1.00 25.13 H new ATOM 0 HG21 ILE A 23 38.731 8.959 -20.401 1.00 32.34 H new ATOM 0 HG22 ILE A 23 40.095 9.570 -19.435 1.00 32.34 H new ATOM 0 HG23 ILE A 23 39.971 7.832 -19.799 1.00 32.34 H new ATOM 0 HD11 ILE A 23 37.406 5.317 -18.941 1.00 44.31 H new ATOM 0 HD12 ILE A 23 38.782 6.129 -19.723 1.00 44.31 H new ATOM 0 HD13 ILE A 23 38.839 5.760 -17.983 1.00 44.31 H new ATOM 305 N GLN A 24 41.424 9.660 -17.501 1.00 71.43 N ATOM 306 CA GLN A 24 42.342 10.755 -17.244 1.00 11.44 C ATOM 307 C GLN A 24 42.844 11.317 -18.560 1.00 52.41 C ATOM 308 O GLN A 24 43.222 10.562 -19.455 1.00 4.25 O ATOM 309 CB GLN A 24 43.531 10.291 -16.401 1.00 34.22 C ATOM 310 CG GLN A 24 44.431 11.436 -15.965 1.00 45.54 C ATOM 311 CD GLN A 24 45.630 10.985 -15.161 1.00 43.44 C ATOM 312 OE1 GLN A 24 46.142 9.882 -15.340 1.00 20.15 O ATOM 313 NE2 GLN A 24 46.083 11.843 -14.262 1.00 11.15 N ATOM 0 H GLN A 24 41.670 9.091 -18.311 1.00 71.43 H new ATOM 0 HA GLN A 24 41.807 11.526 -16.690 1.00 11.44 H new ATOM 0 HB2 GLN A 24 43.162 9.769 -15.518 1.00 34.22 H new ATOM 0 HB3 GLN A 24 44.117 9.573 -16.974 1.00 34.22 H new ATOM 0 HG2 GLN A 24 44.776 11.973 -16.848 1.00 45.54 H new ATOM 0 HG3 GLN A 24 43.849 12.140 -15.371 1.00 45.54 H new ATOM 0 HE21 GLN A 24 45.628 12.748 -14.146 1.00 11.15 H new ATOM 0 HE22 GLN A 24 46.888 11.599 -13.684 1.00 11.15 H new ATOM 322 N VAL A 25 42.852 12.632 -18.661 1.00 72.33 N ATOM 323 CA VAL A 25 43.273 13.310 -19.873 1.00 2.21 C ATOM 324 C VAL A 25 44.041 14.574 -19.512 1.00 52.41 C ATOM 325 O VAL A 25 43.696 15.260 -18.563 1.00 50.52 O ATOM 326 CB VAL A 25 42.057 13.663 -20.763 1.00 44.32 C ATOM 327 CG1 VAL A 25 41.023 14.456 -19.979 1.00 41.00 C ATOM 328 CG2 VAL A 25 42.491 14.433 -22.001 1.00 73.23 C ATOM 0 H VAL A 25 42.568 13.259 -17.908 1.00 72.33 H new ATOM 0 HA VAL A 25 43.921 12.639 -20.437 1.00 2.21 H new ATOM 0 HB VAL A 25 41.600 12.728 -21.087 1.00 44.32 H new ATOM 0 HG11 VAL A 25 40.178 14.692 -20.626 1.00 41.00 H new ATOM 0 HG12 VAL A 25 40.677 13.864 -19.132 1.00 41.00 H new ATOM 0 HG13 VAL A 25 41.472 15.381 -19.617 1.00 41.00 H new ATOM 0 HG21 VAL A 25 41.617 14.668 -22.608 1.00 73.23 H new ATOM 0 HG22 VAL A 25 42.983 15.358 -21.700 1.00 73.23 H new ATOM 0 HG23 VAL A 25 43.184 13.826 -22.583 1.00 73.23 H new ATOM 338 N LYS A 26 45.098 14.863 -20.235 1.00 74.44 N ATOM 339 CA LYS A 26 45.864 16.069 -19.981 1.00 34.43 C ATOM 340 C LYS A 26 45.696 17.066 -21.098 1.00 4.33 C ATOM 341 O LYS A 26 46.046 16.803 -22.243 1.00 44.10 O ATOM 342 CB LYS A 26 47.327 15.738 -19.754 1.00 54.54 C ATOM 343 CG LYS A 26 47.647 15.592 -18.281 1.00 22.30 C ATOM 344 CD LYS A 26 49.089 15.179 -18.048 1.00 20.41 C ATOM 345 CE LYS A 26 49.418 13.865 -18.742 1.00 55.05 C ATOM 346 NZ LYS A 26 50.880 13.609 -18.759 1.00 31.31 N1+ ATOM 0 H LYS A 26 45.448 14.286 -21.000 1.00 74.44 H new ATOM 0 HA LYS A 26 45.478 16.529 -19.071 1.00 34.43 H new ATOM 0 HB2 LYS A 26 47.575 14.813 -20.274 1.00 54.54 H new ATOM 0 HB3 LYS A 26 47.949 16.523 -20.185 1.00 54.54 H new ATOM 0 HG2 LYS A 26 47.455 16.537 -17.773 1.00 22.30 H new ATOM 0 HG3 LYS A 26 46.982 14.851 -17.838 1.00 22.30 H new ATOM 0 HD2 LYS A 26 49.755 15.960 -18.414 1.00 20.41 H new ATOM 0 HD3 LYS A 26 49.271 15.081 -16.978 1.00 20.41 H new ATOM 0 HE2 LYS A 26 48.910 13.046 -18.232 1.00 55.05 H new ATOM 0 HE3 LYS A 26 49.040 13.888 -19.764 1.00 55.05 H new ATOM 0 HZ1 LYS A 26 51.071 12.723 -19.269 1.00 31.31 H new ATOM 0 HZ2 LYS A 26 51.365 14.395 -19.237 1.00 31.31 H new ATOM 0 HZ3 LYS A 26 51.230 13.529 -17.783 1.00 31.31 H new ATOM 360 N VAL A 27 45.165 18.223 -20.756 1.00 15.45 N ATOM 361 CA VAL A 27 44.975 19.255 -21.712 1.00 72.53 C ATOM 362 C VAL A 27 46.188 20.137 -21.616 1.00 72.32 C ATOM 363 O VAL A 27 46.305 20.969 -20.711 1.00 14.32 O ATOM 364 CB VAL A 27 43.661 20.045 -21.478 1.00 61.10 C ATOM 365 CG1 VAL A 27 43.552 21.213 -22.447 1.00 55.43 C ATOM 366 CG2 VAL A 27 42.460 19.125 -21.628 1.00 73.33 C ATOM 0 H VAL A 27 44.861 18.457 -19.811 1.00 15.45 H new ATOM 0 HA VAL A 27 44.869 18.839 -22.714 1.00 72.53 H new ATOM 0 HB VAL A 27 43.677 20.442 -20.463 1.00 61.10 H new ATOM 0 HG11 VAL A 27 42.623 21.752 -22.264 1.00 55.43 H new ATOM 0 HG12 VAL A 27 44.397 21.886 -22.302 1.00 55.43 H new ATOM 0 HG13 VAL A 27 43.559 20.838 -23.471 1.00 55.43 H new ATOM 0 HG21 VAL A 27 41.544 19.692 -21.461 1.00 73.33 H new ATOM 0 HG22 VAL A 27 42.448 18.703 -22.633 1.00 73.33 H new ATOM 0 HG23 VAL A 27 42.526 18.319 -20.897 1.00 73.33 H new ATOM 376 N ARG A 28 47.123 19.898 -22.516 1.00 64.53 N ATOM 377 CA ARG A 28 48.389 20.572 -22.470 1.00 65.22 C ATOM 378 C ARG A 28 48.160 22.013 -22.772 1.00 63.41 C ATOM 379 O ARG A 28 47.833 22.389 -23.899 1.00 71.22 O ATOM 380 CB ARG A 28 49.383 19.971 -23.471 1.00 24.25 C ATOM 381 CG ARG A 28 50.488 20.924 -23.919 1.00 22.13 C ATOM 382 CD ARG A 28 51.359 20.273 -24.975 1.00 44.34 C ATOM 383 NE ARG A 28 52.534 21.085 -25.301 1.00 65.10 N ATOM 384 CZ ARG A 28 52.635 21.877 -26.369 1.00 45.54 C ATOM 385 NH1 ARG A 28 51.618 22.024 -27.202 1.00 33.24 N1+ ATOM 386 NH2 ARG A 28 53.766 22.534 -26.593 1.00 23.30 N ATOM 0 H ARG A 28 47.021 19.238 -23.287 1.00 64.53 H new ATOM 0 HA ARG A 28 48.823 20.454 -21.477 1.00 65.22 H new ATOM 0 HB2 ARG A 28 49.841 19.089 -23.023 1.00 24.25 H new ATOM 0 HB3 ARG A 28 48.834 19.633 -24.350 1.00 24.25 H new ATOM 0 HG2 ARG A 28 50.048 21.839 -24.316 1.00 22.13 H new ATOM 0 HG3 ARG A 28 51.098 21.210 -23.062 1.00 22.13 H new ATOM 0 HD2 ARG A 28 51.683 19.293 -24.623 1.00 44.34 H new ATOM 0 HD3 ARG A 28 50.771 20.109 -25.878 1.00 44.34 H new ATOM 0 HE ARG A 28 53.331 21.041 -24.666 1.00 65.10 H new ATOM 0 HH11 ARG A 28 50.743 21.528 -27.031 1.00 33.24 H new ATOM 0 HH12 ARG A 28 51.709 22.633 -28.015 1.00 33.24 H new ATOM 0 HH21 ARG A 28 54.551 22.431 -25.950 1.00 23.30 H new ATOM 0 HH22 ARG A 28 53.850 23.141 -27.408 1.00 23.30 H new ATOM 400 N SER A 29 48.247 22.810 -21.740 1.00 62.33 N ATOM 401 CA SER A 29 48.198 24.218 -21.931 1.00 61.53 C ATOM 402 C SER A 29 49.348 24.585 -22.870 1.00 72.53 C ATOM 403 O SER A 29 50.502 24.246 -22.592 1.00 31.23 O ATOM 404 CB SER A 29 48.290 24.934 -20.585 1.00 54.21 C ATOM 405 OG SER A 29 49.325 24.375 -19.792 1.00 31.13 O ATOM 0 H SER A 29 48.351 22.504 -20.773 1.00 62.33 H new ATOM 0 HA SER A 29 47.255 24.532 -22.378 1.00 61.53 H new ATOM 0 HB2 SER A 29 48.479 25.996 -20.744 1.00 54.21 H new ATOM 0 HB3 SER A 29 47.339 24.855 -20.059 1.00 54.21 H new ATOM 0 HG SER A 29 49.269 24.733 -18.882 1.00 31.13 H new ATOM 411 N PRO A 30 49.052 25.257 -23.991 1.00 15.42 N ATOM 412 CA PRO A 30 49.971 25.359 -25.144 1.00 23.11 C ATOM 413 C PRO A 30 51.183 26.248 -24.900 1.00 5.11 C ATOM 414 O PRO A 30 51.627 26.958 -25.801 1.00 72.52 O ATOM 415 CB PRO A 30 49.086 25.988 -26.215 1.00 45.42 C ATOM 416 CG PRO A 30 48.130 26.820 -25.441 1.00 63.25 C ATOM 417 CD PRO A 30 47.801 26.000 -24.229 1.00 61.25 C ATOM 0 HA PRO A 30 50.397 24.387 -25.394 1.00 23.11 H new ATOM 0 HB2 PRO A 30 49.668 26.591 -26.912 1.00 45.42 H new ATOM 0 HB3 PRO A 30 48.570 25.230 -26.804 1.00 45.42 H new ATOM 0 HG2 PRO A 30 48.573 27.776 -25.163 1.00 63.25 H new ATOM 0 HG3 PRO A 30 47.236 27.040 -26.024 1.00 63.25 H new ATOM 0 HD2 PRO A 30 47.533 26.625 -23.377 1.00 61.25 H new ATOM 0 HD3 PRO A 30 46.960 25.330 -24.409 1.00 61.25 H new ATOM 425 N ASP A 31 51.737 26.193 -23.705 1.00 62.14 N ATOM 426 CA ASP A 31 52.846 27.065 -23.364 1.00 43.34 C ATOM 427 C ASP A 31 53.991 26.284 -22.734 1.00 13.04 C ATOM 428 O ASP A 31 54.908 26.856 -22.148 1.00 21.24 O ATOM 429 CB ASP A 31 52.367 28.180 -22.432 1.00 0.44 C ATOM 430 CG ASP A 31 53.325 29.354 -22.377 1.00 63.12 C ATOM 431 OD1 ASP A 31 53.508 30.021 -23.418 1.00 44.23 O ATOM 432 OD2 ASP A 31 53.876 29.632 -21.291 1.00 12.51 O1- ATOM 0 H ASP A 31 51.442 25.561 -22.960 1.00 62.14 H new ATOM 0 HA ASP A 31 53.225 27.514 -24.282 1.00 43.34 H new ATOM 0 HB2 ASP A 31 51.390 28.530 -22.765 1.00 0.44 H new ATOM 0 HB3 ASP A 31 52.236 27.777 -21.428 1.00 0.44 H new ATOM 437 N GLY A 32 53.949 24.973 -22.889 1.00 1.23 N ATOM 438 CA GLY A 32 54.973 24.134 -22.304 1.00 64.22 C ATOM 439 C GLY A 32 54.571 23.625 -20.940 1.00 54.14 C ATOM 440 O GLY A 32 55.420 23.314 -20.106 1.00 43.15 O ATOM 0 H GLY A 32 53.227 24.474 -23.408 1.00 1.23 H new ATOM 0 HA2 GLY A 32 55.171 23.289 -22.963 1.00 64.22 H new ATOM 0 HA3 GLY A 32 55.902 24.698 -22.222 1.00 64.22 H new ATOM 444 N ALA A 33 53.269 23.556 -20.712 1.00 1.31 N ATOM 445 CA ALA A 33 52.728 23.034 -19.470 1.00 44.21 C ATOM 446 C ALA A 33 51.572 22.094 -19.777 1.00 14.20 C ATOM 447 O ALA A 33 51.006 22.141 -20.868 1.00 2.30 O ATOM 448 CB ALA A 33 52.280 24.171 -18.564 1.00 42.23 C ATOM 0 H ALA A 33 52.561 23.859 -21.381 1.00 1.31 H new ATOM 0 HA ALA A 33 53.504 22.477 -18.944 1.00 44.21 H new ATOM 0 HB1 ALA A 33 51.877 23.761 -17.638 1.00 42.23 H new ATOM 0 HB2 ALA A 33 53.132 24.812 -18.337 1.00 42.23 H new ATOM 0 HB3 ALA A 33 51.510 24.755 -19.067 1.00 42.23 H new ATOM 454 N GLU A 34 51.213 21.257 -18.824 1.00 63.03 N ATOM 455 CA GLU A 34 50.204 20.237 -19.052 1.00 51.32 C ATOM 456 C GLU A 34 49.486 19.921 -17.751 1.00 22.55 C ATOM 457 O GLU A 34 50.085 19.410 -16.805 1.00 43.25 O ATOM 458 CB GLU A 34 50.875 18.990 -19.626 1.00 4.31 C ATOM 459 CG GLU A 34 49.932 17.923 -20.130 1.00 43.11 C ATOM 460 CD GLU A 34 50.690 16.723 -20.662 1.00 11.42 C ATOM 461 OE1 GLU A 34 51.404 16.064 -19.872 1.00 70.41 O ATOM 462 OE2 GLU A 34 50.590 16.436 -21.870 1.00 0.35 O1- ATOM 0 H GLU A 34 51.605 21.262 -17.882 1.00 63.03 H new ATOM 0 HA GLU A 34 49.464 20.598 -19.766 1.00 51.32 H new ATOM 0 HB2 GLU A 34 51.526 19.293 -20.446 1.00 4.31 H new ATOM 0 HB3 GLU A 34 51.513 18.554 -18.857 1.00 4.31 H new ATOM 0 HG2 GLU A 34 49.270 17.609 -19.323 1.00 43.11 H new ATOM 0 HG3 GLU A 34 49.301 18.335 -20.917 1.00 43.11 H new ATOM 469 N VAL A 35 48.201 20.220 -17.705 1.00 72.24 N ATOM 470 CA VAL A 35 47.438 20.067 -16.482 1.00 1.04 C ATOM 471 C VAL A 35 46.621 18.794 -16.544 1.00 15.44 C ATOM 472 O VAL A 35 45.916 18.543 -17.523 1.00 34.34 O ATOM 473 CB VAL A 35 46.494 21.267 -16.246 1.00 73.02 C ATOM 474 CG1 VAL A 35 45.761 21.128 -14.919 1.00 43.24 C ATOM 475 CG2 VAL A 35 47.265 22.578 -16.295 1.00 72.21 C ATOM 0 H VAL A 35 47.665 20.570 -18.499 1.00 72.24 H new ATOM 0 HA VAL A 35 48.145 20.020 -15.654 1.00 1.04 H new ATOM 0 HB VAL A 35 45.753 21.275 -17.046 1.00 73.02 H new ATOM 0 HG11 VAL A 35 45.103 21.985 -14.776 1.00 43.24 H new ATOM 0 HG12 VAL A 35 45.169 20.213 -14.924 1.00 43.24 H new ATOM 0 HG13 VAL A 35 46.486 21.087 -14.106 1.00 43.24 H new ATOM 0 HG21 VAL A 35 46.580 23.409 -16.126 1.00 72.21 H new ATOM 0 HG22 VAL A 35 48.033 22.578 -15.521 1.00 72.21 H new ATOM 0 HG23 VAL A 35 47.735 22.688 -17.272 1.00 72.21 H new ATOM 485 N PHE A 36 46.744 17.982 -15.511 1.00 22.41 N ATOM 486 CA PHE A 36 46.045 16.717 -15.462 1.00 15.50 C ATOM 487 C PHE A 36 44.554 16.930 -15.231 1.00 3.00 C ATOM 488 O PHE A 36 44.132 17.523 -14.240 1.00 12.52 O ATOM 489 CB PHE A 36 46.646 15.787 -14.394 1.00 12.44 C ATOM 490 CG PHE A 36 46.591 16.320 -12.986 1.00 61.13 C ATOM 491 CD1 PHE A 36 47.471 17.306 -12.565 1.00 3.24 C ATOM 492 CD2 PHE A 36 45.660 15.829 -12.083 1.00 5.12 C ATOM 493 CE1 PHE A 36 47.420 17.794 -11.275 1.00 63.02 C ATOM 494 CE2 PHE A 36 45.606 16.314 -10.791 1.00 41.31 C ATOM 495 CZ PHE A 36 46.486 17.298 -10.387 1.00 34.21 C ATOM 0 H PHE A 36 47.323 18.179 -14.695 1.00 22.41 H new ATOM 0 HA PHE A 36 46.169 16.229 -16.429 1.00 15.50 H new ATOM 0 HB2 PHE A 36 46.120 14.833 -14.427 1.00 12.44 H new ATOM 0 HB3 PHE A 36 47.686 15.587 -14.651 1.00 12.44 H new ATOM 0 HD1 PHE A 36 48.205 17.696 -13.255 1.00 3.24 H new ATOM 0 HD2 PHE A 36 44.970 15.059 -12.394 1.00 5.12 H new ATOM 0 HE1 PHE A 36 48.110 18.563 -10.960 1.00 63.02 H new ATOM 0 HE2 PHE A 36 44.876 15.924 -10.097 1.00 41.31 H new ATOM 0 HZ PHE A 36 46.444 17.679 -9.377 1.00 34.21 H new ATOM 505 N PHE A 37 43.776 16.465 -16.181 1.00 25.01 N ATOM 506 CA PHE A 37 42.335 16.491 -16.088 1.00 62.04 C ATOM 507 C PHE A 37 41.838 15.065 -15.948 1.00 14.13 C ATOM 508 O PHE A 37 42.590 14.119 -16.180 1.00 31.45 O ATOM 509 CB PHE A 37 41.734 17.155 -17.329 1.00 14.23 C ATOM 510 CG PHE A 37 41.391 18.606 -17.142 1.00 31.32 C ATOM 511 CD1 PHE A 37 42.380 19.544 -16.894 1.00 22.33 C ATOM 512 CD2 PHE A 37 40.075 19.030 -17.220 1.00 54.35 C ATOM 513 CE1 PHE A 37 42.062 20.878 -16.727 1.00 21.44 C ATOM 514 CE2 PHE A 37 39.751 20.362 -17.053 1.00 51.45 C ATOM 515 CZ PHE A 37 40.745 21.287 -16.806 1.00 44.14 C ATOM 0 H PHE A 37 44.128 16.055 -17.046 1.00 25.01 H new ATOM 0 HA PHE A 37 42.027 17.073 -15.219 1.00 62.04 H new ATOM 0 HB2 PHE A 37 42.439 17.063 -18.155 1.00 14.23 H new ATOM 0 HB3 PHE A 37 40.833 16.614 -17.617 1.00 14.23 H new ATOM 0 HD1 PHE A 37 43.411 19.229 -16.831 1.00 22.33 H new ATOM 0 HD2 PHE A 37 39.293 18.311 -17.414 1.00 54.35 H new ATOM 0 HE1 PHE A 37 42.842 21.600 -16.535 1.00 21.44 H new ATOM 0 HE2 PHE A 37 38.721 20.680 -17.116 1.00 51.45 H new ATOM 0 HZ PHE A 37 40.494 22.329 -16.675 1.00 44.14 H new ATOM 525 N LYS A 38 40.589 14.894 -15.576 1.00 43.23 N ATOM 526 CA LYS A 38 40.091 13.570 -15.268 1.00 35.22 C ATOM 527 C LYS A 38 38.643 13.416 -15.691 1.00 51.03 C ATOM 528 O LYS A 38 37.865 14.371 -15.655 1.00 30.24 O ATOM 529 CB LYS A 38 40.260 13.294 -13.768 1.00 15.03 C ATOM 530 CG LYS A 38 39.611 14.345 -12.876 1.00 64.22 C ATOM 531 CD LYS A 38 40.209 14.353 -11.473 1.00 33.25 C ATOM 532 CE LYS A 38 39.997 13.034 -10.745 1.00 40.42 C ATOM 533 NZ LYS A 38 40.632 13.041 -9.399 1.00 40.01 N1+ ATOM 0 H LYS A 38 39.905 15.645 -15.480 1.00 43.23 H new ATOM 0 HA LYS A 38 40.670 12.838 -15.830 1.00 35.22 H new ATOM 0 HB2 LYS A 38 39.832 12.319 -13.536 1.00 15.03 H new ATOM 0 HB3 LYS A 38 41.323 13.239 -13.535 1.00 15.03 H new ATOM 0 HG2 LYS A 38 39.734 15.329 -13.328 1.00 64.22 H new ATOM 0 HG3 LYS A 38 38.540 14.155 -12.812 1.00 64.22 H new ATOM 0 HD2 LYS A 38 41.277 14.562 -11.537 1.00 33.25 H new ATOM 0 HD3 LYS A 38 39.760 15.161 -10.894 1.00 33.25 H new ATOM 0 HE2 LYS A 38 38.929 12.842 -10.643 1.00 40.42 H new ATOM 0 HE3 LYS A 38 40.412 12.220 -11.339 1.00 40.42 H new ATOM 0 HZ1 LYS A 38 40.467 12.126 -8.933 1.00 40.01 H new ATOM 0 HZ2 LYS A 38 41.655 13.199 -9.499 1.00 40.01 H new ATOM 0 HZ3 LYS A 38 40.218 13.802 -8.824 1.00 40.01 H new ATOM 547 N ILE A 39 38.298 12.214 -16.114 1.00 41.44 N ATOM 548 CA ILE A 39 36.936 11.892 -16.484 1.00 3.01 C ATOM 549 C ILE A 39 36.402 10.845 -15.506 1.00 15.21 C ATOM 550 O ILE A 39 37.097 9.877 -15.200 1.00 30.24 O ATOM 551 CB ILE A 39 36.862 11.341 -17.925 1.00 12.45 C ATOM 552 CG1 ILE A 39 37.512 12.322 -18.903 1.00 11.22 C ATOM 553 CG2 ILE A 39 35.419 11.072 -18.325 1.00 43.02 C ATOM 554 CD1 ILE A 39 37.527 11.829 -20.334 1.00 42.02 C ATOM 0 H ILE A 39 38.952 11.438 -16.210 1.00 41.44 H new ATOM 0 HA ILE A 39 36.334 12.799 -16.442 1.00 3.01 H new ATOM 0 HB ILE A 39 37.408 10.398 -17.960 1.00 12.45 H new ATOM 0 HG12 ILE A 39 36.979 13.272 -18.860 1.00 11.22 H new ATOM 0 HG13 ILE A 39 38.536 12.516 -18.583 1.00 11.22 H new ATOM 0 HG21 ILE A 39 35.390 10.685 -19.343 1.00 43.02 H new ATOM 0 HG22 ILE A 39 34.984 10.339 -17.645 1.00 43.02 H new ATOM 0 HG23 ILE A 39 34.848 11.999 -18.273 1.00 43.02 H new ATOM 0 HD11 ILE A 39 38.002 12.575 -20.971 1.00 42.02 H new ATOM 0 HD12 ILE A 39 38.085 10.895 -20.391 1.00 42.02 H new ATOM 0 HD13 ILE A 39 36.504 11.662 -20.672 1.00 42.02 H new ATOM 566 N LYS A 40 35.186 11.022 -15.015 1.00 5.12 N ATOM 567 CA LYS A 40 34.665 10.130 -13.986 1.00 34.14 C ATOM 568 C LYS A 40 33.572 9.230 -14.547 1.00 65.10 C ATOM 569 O LYS A 40 33.730 8.011 -14.603 1.00 60.22 O ATOM 570 CB LYS A 40 34.146 10.941 -12.799 1.00 24.04 C ATOM 571 CG LYS A 40 33.962 10.117 -11.538 1.00 24.31 C ATOM 572 CD LYS A 40 33.774 11.008 -10.324 1.00 53.32 C ATOM 573 CE LYS A 40 33.840 10.211 -9.033 1.00 24.33 C ATOM 574 NZ LYS A 40 33.873 11.094 -7.838 1.00 41.13 N1+ ATOM 0 H LYS A 40 34.548 11.763 -15.305 1.00 5.12 H new ATOM 0 HA LYS A 40 35.477 9.490 -13.641 1.00 34.14 H new ATOM 0 HB2 LYS A 40 34.841 11.755 -12.594 1.00 24.04 H new ATOM 0 HB3 LYS A 40 33.193 11.396 -13.069 1.00 24.04 H new ATOM 0 HG2 LYS A 40 33.097 9.463 -11.650 1.00 24.31 H new ATOM 0 HG3 LYS A 40 34.830 9.474 -11.390 1.00 24.31 H new ATOM 0 HD2 LYS A 40 34.543 11.780 -10.316 1.00 53.32 H new ATOM 0 HD3 LYS A 40 32.812 11.517 -10.390 1.00 53.32 H new ATOM 0 HE2 LYS A 40 32.977 9.548 -8.971 1.00 24.33 H new ATOM 0 HE3 LYS A 40 34.728 9.578 -9.042 1.00 24.33 H new ATOM 0 HZ1 LYS A 40 33.918 10.512 -6.977 1.00 41.13 H new ATOM 0 HZ2 LYS A 40 34.710 11.709 -7.884 1.00 41.13 H new ATOM 0 HZ3 LYS A 40 33.014 11.680 -7.815 1.00 41.13 H new ATOM 588 N ARG A 41 32.466 9.837 -14.949 1.00 61.11 N ATOM 589 CA ARG A 41 31.401 9.116 -15.638 1.00 55.41 C ATOM 590 C ARG A 41 31.658 9.206 -17.136 1.00 11.40 C ATOM 591 O ARG A 41 32.669 9.777 -17.546 1.00 73.11 O ATOM 592 CB ARG A 41 30.030 9.715 -15.299 1.00 22.45 C ATOM 593 CG ARG A 41 29.788 11.077 -15.930 1.00 52.54 C ATOM 594 CD ARG A 41 28.438 11.648 -15.537 1.00 73.40 C ATOM 595 NE ARG A 41 28.384 12.000 -14.122 1.00 54.01 N ATOM 596 CZ ARG A 41 28.084 13.216 -13.670 1.00 61.02 C ATOM 597 NH1 ARG A 41 27.739 14.180 -14.516 1.00 20.44 N1+ ATOM 598 NH2 ARG A 41 28.116 13.463 -12.370 1.00 0.21 N ATOM 0 H ARG A 41 32.280 10.830 -14.810 1.00 61.11 H new ATOM 0 HA ARG A 41 31.395 8.074 -15.317 1.00 55.41 H new ATOM 0 HB2 ARG A 41 29.251 9.028 -15.629 1.00 22.45 H new ATOM 0 HB3 ARG A 41 29.939 9.804 -14.216 1.00 22.45 H new ATOM 0 HG2 ARG A 41 30.577 11.765 -15.624 1.00 52.54 H new ATOM 0 HG3 ARG A 41 29.844 10.990 -17.015 1.00 52.54 H new ATOM 0 HD2 ARG A 41 28.230 12.533 -16.139 1.00 73.40 H new ATOM 0 HD3 ARG A 41 27.658 10.920 -15.759 1.00 73.40 H new ATOM 0 HE ARG A 41 28.588 11.271 -13.438 1.00 54.01 H new ATOM 0 HH11 ARG A 41 27.703 13.991 -15.518 1.00 20.44 H new ATOM 0 HH12 ARG A 41 27.510 15.110 -14.164 1.00 20.44 H new ATOM 0 HH21 ARG A 41 28.370 12.722 -11.716 1.00 0.21 H new ATOM 0 HH22 ARG A 41 27.887 14.394 -12.022 1.00 0.21 H new ATOM 612 N LYS A 42 30.778 8.651 -17.960 1.00 54.02 N ATOM 613 CA LYS A 42 30.907 8.850 -19.395 1.00 62.15 C ATOM 614 C LYS A 42 30.725 10.331 -19.716 1.00 3.33 C ATOM 615 O LYS A 42 29.619 10.864 -19.704 1.00 72.44 O ATOM 616 CB LYS A 42 29.933 7.956 -20.195 1.00 51.35 C ATOM 617 CG LYS A 42 28.455 8.090 -19.833 1.00 53.14 C ATOM 618 CD LYS A 42 27.710 9.003 -20.803 1.00 3.24 C ATOM 619 CE LYS A 42 26.219 9.067 -20.497 1.00 73.02 C ATOM 620 NZ LYS A 42 25.533 7.779 -20.785 1.00 32.32 N1+ ATOM 0 H LYS A 42 29.988 8.075 -17.669 1.00 54.02 H new ATOM 0 HA LYS A 42 31.907 8.546 -19.704 1.00 62.15 H new ATOM 0 HB2 LYS A 42 30.050 8.182 -21.255 1.00 51.35 H new ATOM 0 HB3 LYS A 42 30.228 6.916 -20.057 1.00 51.35 H new ATOM 0 HG2 LYS A 42 27.991 7.104 -19.834 1.00 53.14 H new ATOM 0 HG3 LYS A 42 28.364 8.484 -18.821 1.00 53.14 H new ATOM 0 HD2 LYS A 42 28.133 10.006 -20.754 1.00 3.24 H new ATOM 0 HD3 LYS A 42 27.856 8.645 -21.822 1.00 3.24 H new ATOM 0 HE2 LYS A 42 26.075 9.327 -19.448 1.00 73.02 H new ATOM 0 HE3 LYS A 42 25.762 9.861 -21.088 1.00 73.02 H new ATOM 0 HZ1 LYS A 42 24.504 7.909 -20.710 1.00 32.32 H new ATOM 0 HZ2 LYS A 42 25.773 7.465 -21.747 1.00 32.32 H new ATOM 0 HZ3 LYS A 42 25.842 7.060 -20.100 1.00 32.32 H new ATOM 634 N THR A 43 31.835 11.008 -19.935 1.00 11.20 N ATOM 635 CA THR A 43 31.804 12.423 -20.233 1.00 30.45 C ATOM 636 C THR A 43 32.719 12.734 -21.403 1.00 71.22 C ATOM 637 O THR A 43 33.944 12.694 -21.282 1.00 12.31 O ATOM 638 CB THR A 43 32.205 13.282 -19.015 1.00 43.34 C ATOM 639 OG1 THR A 43 32.441 12.448 -17.872 1.00 31.45 O ATOM 640 CG2 THR A 43 31.109 14.284 -18.688 1.00 44.42 C ATOM 0 H THR A 43 32.769 10.599 -19.912 1.00 11.20 H new ATOM 0 HA THR A 43 30.776 12.675 -20.494 1.00 30.45 H new ATOM 0 HB THR A 43 33.120 13.819 -19.265 1.00 43.34 H new ATOM 0 HG1 THR A 43 32.696 13.005 -17.107 1.00 31.45 H new ATOM 0 HG21 THR A 43 31.408 14.882 -17.827 1.00 44.42 H new ATOM 0 HG22 THR A 43 30.946 14.938 -19.545 1.00 44.42 H new ATOM 0 HG23 THR A 43 30.186 13.752 -18.458 1.00 44.42 H new ATOM 648 N LYS A 44 32.104 13.002 -22.545 1.00 62.32 N ATOM 649 CA LYS A 44 32.825 13.374 -23.755 1.00 25.23 C ATOM 650 C LYS A 44 33.669 14.638 -23.557 1.00 4.31 C ATOM 651 O LYS A 44 33.660 15.250 -22.485 1.00 45.53 O ATOM 652 CB LYS A 44 31.835 13.554 -24.911 1.00 50.13 C ATOM 653 CG LYS A 44 30.604 14.364 -24.543 1.00 21.31 C ATOM 654 CD LYS A 44 29.568 14.359 -25.660 1.00 45.42 C ATOM 655 CE LYS A 44 29.138 12.947 -26.026 1.00 25.02 C ATOM 656 NZ LYS A 44 27.988 12.937 -26.971 1.00 21.22 N1+ ATOM 0 H LYS A 44 31.091 12.968 -22.660 1.00 62.32 H new ATOM 0 HA LYS A 44 33.518 12.568 -23.996 1.00 25.23 H new ATOM 0 HB2 LYS A 44 32.345 14.042 -25.741 1.00 50.13 H new ATOM 0 HB3 LYS A 44 31.520 12.572 -25.264 1.00 50.13 H new ATOM 0 HG2 LYS A 44 30.160 13.958 -23.634 1.00 21.31 H new ATOM 0 HG3 LYS A 44 30.897 15.391 -24.324 1.00 21.31 H new ATOM 0 HD2 LYS A 44 28.696 14.935 -25.350 1.00 45.42 H new ATOM 0 HD3 LYS A 44 29.980 14.853 -26.540 1.00 45.42 H new ATOM 0 HE2 LYS A 44 29.979 12.418 -26.474 1.00 25.02 H new ATOM 0 HE3 LYS A 44 28.866 12.405 -25.120 1.00 25.02 H new ATOM 0 HZ1 LYS A 44 27.729 11.954 -27.192 1.00 21.22 H new ATOM 0 HZ2 LYS A 44 27.176 13.419 -26.535 1.00 21.22 H new ATOM 0 HZ3 LYS A 44 28.254 13.431 -27.847 1.00 21.22 H new ATOM 670 N LEU A 45 34.356 15.046 -24.618 1.00 35.14 N ATOM 671 CA LEU A 45 35.374 16.096 -24.544 1.00 14.24 C ATOM 672 C LEU A 45 34.775 17.466 -24.224 1.00 21.03 C ATOM 673 O LEU A 45 35.504 18.413 -23.931 1.00 72.43 O ATOM 674 CB LEU A 45 36.126 16.173 -25.874 1.00 45.14 C ATOM 675 CG LEU A 45 36.673 14.844 -26.396 1.00 62.15 C ATOM 676 CD1 LEU A 45 37.237 15.022 -27.795 1.00 1.23 C ATOM 677 CD2 LEU A 45 37.741 14.296 -25.461 1.00 32.21 C ATOM 0 H LEU A 45 34.226 14.661 -25.554 1.00 35.14 H new ATOM 0 HA LEU A 45 36.054 15.834 -23.733 1.00 14.24 H new ATOM 0 HB2 LEU A 45 35.458 16.592 -26.626 1.00 45.14 H new ATOM 0 HB3 LEU A 45 36.957 16.870 -25.762 1.00 45.14 H new ATOM 0 HG LEU A 45 35.853 14.127 -26.436 1.00 62.15 H new ATOM 0 HD11 LEU A 45 37.623 14.069 -28.156 1.00 1.23 H new ATOM 0 HD12 LEU A 45 36.449 15.370 -28.463 1.00 1.23 H new ATOM 0 HD13 LEU A 45 38.044 15.755 -27.772 1.00 1.23 H new ATOM 0 HD21 LEU A 45 38.116 13.350 -25.852 1.00 32.21 H new ATOM 0 HD22 LEU A 45 38.562 15.010 -25.388 1.00 32.21 H new ATOM 0 HD23 LEU A 45 37.311 14.135 -24.472 1.00 32.21 H new ATOM 689 N GLU A 46 33.452 17.562 -24.274 1.00 23.02 N ATOM 690 CA GLU A 46 32.761 18.831 -24.072 1.00 4.12 C ATOM 691 C GLU A 46 33.103 19.457 -22.714 1.00 12.14 C ATOM 692 O GLU A 46 33.547 20.599 -22.653 1.00 22.14 O ATOM 693 CB GLU A 46 31.251 18.634 -24.212 1.00 14.42 C ATOM 694 CG GLU A 46 30.828 18.117 -25.578 1.00 64.54 C ATOM 695 CD GLU A 46 29.331 17.919 -25.689 1.00 23.41 C ATOM 696 OE1 GLU A 46 28.751 18.309 -26.722 1.00 71.11 O ATOM 697 OE2 GLU A 46 28.729 17.376 -24.738 1.00 72.42 O1- ATOM 0 H GLU A 46 32.833 16.772 -24.454 1.00 23.02 H new ATOM 0 HA GLU A 46 33.102 19.524 -24.841 1.00 4.12 H new ATOM 0 HB2 GLU A 46 30.912 17.935 -23.447 1.00 14.42 H new ATOM 0 HB3 GLU A 46 30.750 19.583 -24.021 1.00 14.42 H new ATOM 0 HG2 GLU A 46 31.156 18.819 -26.345 1.00 64.54 H new ATOM 0 HG3 GLU A 46 31.331 17.171 -25.776 1.00 64.54 H new ATOM 704 N LYS A 47 32.929 18.714 -21.627 1.00 62.41 N ATOM 705 CA LYS A 47 33.205 19.267 -20.303 1.00 33.34 C ATOM 706 C LYS A 47 34.707 19.456 -20.093 1.00 42.22 C ATOM 707 O LYS A 47 35.131 20.366 -19.385 1.00 54.00 O ATOM 708 CB LYS A 47 32.599 18.386 -19.201 1.00 45.33 C ATOM 709 CG LYS A 47 33.310 17.063 -18.965 1.00 32.31 C ATOM 710 CD LYS A 47 34.296 17.163 -17.812 1.00 42.23 C ATOM 711 CE LYS A 47 34.863 15.805 -17.437 1.00 42.04 C ATOM 712 NZ LYS A 47 35.705 15.879 -16.215 1.00 24.31 N1+ ATOM 0 H LYS A 47 32.605 17.747 -21.632 1.00 62.41 H new ATOM 0 HA LYS A 47 32.733 20.247 -20.243 1.00 33.34 H new ATOM 0 HB2 LYS A 47 32.596 18.950 -18.268 1.00 45.33 H new ATOM 0 HB3 LYS A 47 31.559 18.181 -19.453 1.00 45.33 H new ATOM 0 HG2 LYS A 47 32.576 16.286 -18.752 1.00 32.31 H new ATOM 0 HG3 LYS A 47 33.836 16.764 -19.871 1.00 32.31 H new ATOM 0 HD2 LYS A 47 35.110 17.834 -18.087 1.00 42.23 H new ATOM 0 HD3 LYS A 47 33.800 17.602 -16.946 1.00 42.23 H new ATOM 0 HE2 LYS A 47 34.046 15.102 -17.274 1.00 42.04 H new ATOM 0 HE3 LYS A 47 35.457 15.417 -18.265 1.00 42.04 H new ATOM 0 HZ1 LYS A 47 36.505 15.221 -16.304 1.00 24.31 H new ATOM 0 HZ2 LYS A 47 36.065 16.848 -16.099 1.00 24.31 H new ATOM 0 HZ3 LYS A 47 35.135 15.620 -15.385 1.00 24.31 H new ATOM 726 N LEU A 48 35.505 18.607 -20.735 1.00 14.11 N ATOM 727 CA LEU A 48 36.962 18.693 -20.649 1.00 44.42 C ATOM 728 C LEU A 48 37.446 20.040 -21.171 1.00 0.14 C ATOM 729 O LEU A 48 38.384 20.627 -20.633 1.00 70.35 O ATOM 730 CB LEU A 48 37.601 17.560 -21.451 1.00 44.10 C ATOM 731 CG LEU A 48 37.322 16.158 -20.913 1.00 40.42 C ATOM 732 CD1 LEU A 48 37.931 15.112 -21.830 1.00 3.42 C ATOM 733 CD2 LEU A 48 37.868 16.019 -19.498 1.00 0.32 C ATOM 0 H LEU A 48 35.165 17.847 -21.324 1.00 14.11 H new ATOM 0 HA LEU A 48 37.256 18.598 -19.604 1.00 44.42 H new ATOM 0 HB2 LEU A 48 37.245 17.617 -22.480 1.00 44.10 H new ATOM 0 HB3 LEU A 48 38.679 17.716 -21.477 1.00 44.10 H new ATOM 0 HG LEU A 48 36.244 16.000 -20.882 1.00 40.42 H new ATOM 0 HD11 LEU A 48 37.725 14.117 -21.435 1.00 3.42 H new ATOM 0 HD12 LEU A 48 37.497 15.204 -22.826 1.00 3.42 H new ATOM 0 HD13 LEU A 48 39.009 15.263 -21.889 1.00 3.42 H new ATOM 0 HD21 LEU A 48 37.663 15.015 -19.126 1.00 0.32 H new ATOM 0 HD22 LEU A 48 38.944 16.190 -19.505 1.00 0.32 H new ATOM 0 HD23 LEU A 48 37.388 16.752 -18.849 1.00 0.32 H new ATOM 745 N MET A 49 36.785 20.533 -22.209 1.00 43.23 N ATOM 746 CA MET A 49 37.169 21.800 -22.811 1.00 60.12 C ATOM 747 C MET A 49 36.516 22.976 -22.086 1.00 53.42 C ATOM 748 O MET A 49 37.118 24.038 -21.963 1.00 5.35 O ATOM 749 CB MET A 49 36.810 21.835 -24.304 1.00 51.40 C ATOM 750 CG MET A 49 35.316 21.854 -24.585 1.00 63.31 C ATOM 751 SD MET A 49 34.926 21.909 -26.342 1.00 50.54 S ATOM 752 CE MET A 49 33.135 21.941 -26.288 1.00 11.13 C ATOM 0 H MET A 49 35.985 20.078 -22.649 1.00 43.23 H new ATOM 0 HA MET A 49 38.251 21.892 -22.713 1.00 60.12 H new ATOM 0 HB2 MET A 49 37.264 22.717 -24.755 1.00 51.40 H new ATOM 0 HB3 MET A 49 37.249 20.965 -24.792 1.00 51.40 H new ATOM 0 HG2 MET A 49 34.859 20.968 -24.145 1.00 63.31 H new ATOM 0 HG3 MET A 49 34.871 22.719 -24.093 1.00 63.31 H new ATOM 0 HE1 MET A 49 32.738 21.133 -26.903 1.00 11.13 H new ATOM 0 HE2 MET A 49 32.800 21.812 -25.259 1.00 11.13 H new ATOM 0 HE3 MET A 49 32.777 22.897 -26.669 1.00 11.13 H new ATOM 762 N GLU A 50 35.295 22.788 -21.588 1.00 62.40 N ATOM 763 CA GLU A 50 34.564 23.884 -20.955 1.00 61.02 C ATOM 764 C GLU A 50 35.112 24.205 -19.572 1.00 64.22 C ATOM 765 O GLU A 50 35.206 25.375 -19.199 1.00 60.03 O ATOM 766 CB GLU A 50 33.073 23.590 -20.861 1.00 62.50 C ATOM 767 CG GLU A 50 32.390 23.455 -22.210 1.00 60.44 C ATOM 768 CD GLU A 50 30.890 23.303 -22.082 1.00 51.34 C ATOM 769 OE1 GLU A 50 30.200 24.329 -21.909 1.00 24.22 O ATOM 770 OE2 GLU A 50 30.389 22.161 -22.155 1.00 23.12 O1- ATOM 0 H GLU A 50 34.796 21.899 -21.610 1.00 62.40 H new ATOM 0 HA GLU A 50 34.706 24.755 -21.595 1.00 61.02 H new ATOM 0 HB2 GLU A 50 32.929 22.669 -20.297 1.00 62.50 H new ATOM 0 HB3 GLU A 50 32.589 24.388 -20.297 1.00 62.50 H new ATOM 0 HG2 GLU A 50 32.613 24.332 -22.817 1.00 60.44 H new ATOM 0 HG3 GLU A 50 32.797 22.591 -22.736 1.00 60.44 H new ATOM 777 N VAL A 51 35.473 23.179 -18.808 1.00 23.21 N ATOM 778 CA VAL A 51 36.112 23.404 -17.516 1.00 24.13 C ATOM 779 C VAL A 51 37.435 24.137 -17.732 1.00 13.12 C ATOM 780 O VAL A 51 37.879 24.916 -16.890 1.00 53.21 O ATOM 781 CB VAL A 51 36.352 22.080 -16.751 1.00 43.11 C ATOM 782 CG1 VAL A 51 37.081 22.330 -15.437 1.00 70.21 C ATOM 783 CG2 VAL A 51 35.033 21.372 -16.488 1.00 72.35 C ATOM 0 H VAL A 51 35.337 22.199 -19.055 1.00 23.21 H new ATOM 0 HA VAL A 51 35.444 24.011 -16.905 1.00 24.13 H new ATOM 0 HB VAL A 51 36.979 21.442 -17.374 1.00 43.11 H new ATOM 0 HG11 VAL A 51 37.236 21.383 -14.921 1.00 70.21 H new ATOM 0 HG12 VAL A 51 38.046 22.795 -15.639 1.00 70.21 H new ATOM 0 HG13 VAL A 51 36.483 22.991 -14.810 1.00 70.21 H new ATOM 0 HG21 VAL A 51 35.220 20.443 -15.949 1.00 72.35 H new ATOM 0 HG22 VAL A 51 34.388 22.015 -15.889 1.00 72.35 H new ATOM 0 HG23 VAL A 51 34.544 21.149 -17.436 1.00 72.35 H new ATOM 793 N TYR A 52 38.037 23.899 -18.890 1.00 25.31 N ATOM 794 CA TYR A 52 39.256 24.585 -19.289 1.00 60.25 C ATOM 795 C TYR A 52 38.938 26.029 -19.687 1.00 22.34 C ATOM 796 O TYR A 52 39.659 26.956 -19.309 1.00 70.03 O ATOM 797 CB TYR A 52 39.902 23.829 -20.447 1.00 50.21 C ATOM 798 CG TYR A 52 41.290 24.298 -20.829 1.00 54.44 C ATOM 799 CD1 TYR A 52 41.485 25.141 -21.917 1.00 10.40 C ATOM 800 CD2 TYR A 52 42.408 23.878 -20.117 1.00 35.44 C ATOM 801 CE1 TYR A 52 42.753 25.551 -22.284 1.00 44.31 C ATOM 802 CE2 TYR A 52 43.679 24.289 -20.476 1.00 2.44 C ATOM 803 CZ TYR A 52 43.846 25.123 -21.560 1.00 61.10 C ATOM 804 OH TYR A 52 45.111 25.521 -21.929 1.00 70.14 O ATOM 0 H TYR A 52 37.694 23.227 -19.576 1.00 25.31 H new ATOM 0 HA TYR A 52 39.955 24.612 -18.453 1.00 60.25 H new ATOM 0 HB2 TYR A 52 39.952 22.772 -20.187 1.00 50.21 H new ATOM 0 HB3 TYR A 52 39.255 23.912 -21.320 1.00 50.21 H new ATOM 0 HD1 TYR A 52 40.632 25.481 -22.485 1.00 10.40 H new ATOM 0 HD2 TYR A 52 42.282 23.220 -19.270 1.00 35.44 H new ATOM 0 HE1 TYR A 52 42.887 26.204 -23.134 1.00 44.31 H new ATOM 0 HE2 TYR A 52 44.537 23.958 -19.909 1.00 2.44 H new ATOM 0 HH TYR A 52 45.066 26.404 -22.351 1.00 70.14 H new ATOM 814 N CYS A 53 37.852 26.209 -20.453 1.00 62.33 N ATOM 815 CA CYS A 53 37.342 27.538 -20.775 1.00 41.30 C ATOM 816 C CYS A 53 37.194 28.379 -19.512 1.00 4.33 C ATOM 817 O CYS A 53 37.711 29.493 -19.419 1.00 34.34 O ATOM 818 CB CYS A 53 35.983 27.433 -21.472 1.00 62.10 C ATOM 819 SG CYS A 53 36.009 26.491 -23.012 1.00 24.41 S ATOM 0 H CYS A 53 37.313 25.445 -20.859 1.00 62.33 H new ATOM 0 HA CYS A 53 38.057 28.019 -21.443 1.00 41.30 H new ATOM 0 HB2 CYS A 53 35.272 26.970 -20.788 1.00 62.10 H new ATOM 0 HB3 CYS A 53 35.616 28.438 -21.681 1.00 62.10 H new ATOM 0 HG CYS A 53 36.714 25.411 -22.848 1.00 24.41 H new ATOM 825 N ASN A 54 36.504 27.816 -18.534 1.00 31.24 N ATOM 826 CA ASN A 54 36.237 28.502 -17.279 1.00 23.21 C ATOM 827 C ASN A 54 37.523 28.665 -16.467 1.00 50.15 C ATOM 828 O ASN A 54 37.658 29.604 -15.684 1.00 44.41 O ATOM 829 CB ASN A 54 35.204 27.704 -16.479 1.00 60.32 C ATOM 830 CG ASN A 54 34.440 28.530 -15.455 1.00 62.25 C ATOM 831 OD1 ASN A 54 33.279 28.243 -15.170 1.00 53.02 O ATOM 832 ND2 ASN A 54 35.072 29.547 -14.890 1.00 23.34 N ATOM 0 H ASN A 54 36.114 26.875 -18.586 1.00 31.24 H new ATOM 0 HA ASN A 54 35.845 29.496 -17.493 1.00 23.21 H new ATOM 0 HB2 ASN A 54 34.492 27.254 -17.171 1.00 60.32 H new ATOM 0 HB3 ASN A 54 35.710 26.886 -15.966 1.00 60.32 H new ATOM 0 HD21 ASN A 54 34.595 30.121 -14.194 1.00 23.34 H new ATOM 0 HD22 ASN A 54 36.036 29.757 -15.150 1.00 23.34 H new ATOM 839 N ARG A 55 38.471 27.758 -16.672 1.00 12.20 N ATOM 840 CA ARG A 55 39.698 27.746 -15.886 1.00 42.42 C ATOM 841 C ARG A 55 40.611 28.916 -16.251 1.00 32.14 C ATOM 842 O ARG A 55 41.208 29.546 -15.377 1.00 34.11 O ATOM 843 CB ARG A 55 40.446 26.423 -16.061 1.00 23.13 C ATOM 844 CG ARG A 55 41.584 26.241 -15.068 1.00 12.33 C ATOM 845 CD ARG A 55 41.086 26.326 -13.629 1.00 14.04 C ATOM 846 NE ARG A 55 40.185 25.223 -13.285 1.00 32.42 N ATOM 847 CZ ARG A 55 38.930 25.378 -12.855 1.00 13.03 C ATOM 848 NH1 ARG A 55 38.402 26.590 -12.745 1.00 74.42 N1+ ATOM 849 NH2 ARG A 55 38.208 24.310 -12.534 1.00 31.52 N ATOM 0 H ARG A 55 38.413 27.022 -17.376 1.00 12.20 H new ATOM 0 HA ARG A 55 39.412 27.853 -14.840 1.00 42.42 H new ATOM 0 HB2 ARG A 55 39.742 25.598 -15.952 1.00 23.13 H new ATOM 0 HB3 ARG A 55 40.845 26.370 -17.074 1.00 23.13 H new ATOM 0 HG2 ARG A 55 42.062 25.275 -15.233 1.00 12.33 H new ATOM 0 HG3 ARG A 55 42.343 27.005 -15.238 1.00 12.33 H new ATOM 0 HD2 ARG A 55 41.939 26.320 -12.951 1.00 14.04 H new ATOM 0 HD3 ARG A 55 40.569 27.274 -13.482 1.00 14.04 H new ATOM 0 HE ARG A 55 40.540 24.272 -13.380 1.00 32.42 H new ATOM 0 HH11 ARG A 55 38.955 27.411 -12.990 1.00 74.42 H new ATOM 0 HH12 ARG A 55 37.443 26.701 -12.416 1.00 74.42 H new ATOM 0 HH21 ARG A 55 38.613 23.377 -12.616 1.00 31.52 H new ATOM 0 HH22 ARG A 55 37.249 24.423 -12.205 1.00 31.52 H new ATOM 863 N LEU A 56 40.723 29.208 -17.539 1.00 75.42 N ATOM 864 CA LEU A 56 41.591 30.291 -17.989 1.00 60.21 C ATOM 865 C LEU A 56 40.804 31.574 -18.221 1.00 22.05 C ATOM 866 O LEU A 56 41.384 32.628 -18.486 1.00 73.52 O ATOM 867 CB LEU A 56 42.328 29.896 -19.268 1.00 50.30 C ATOM 868 CG LEU A 56 43.305 28.726 -19.125 1.00 25.35 C ATOM 869 CD1 LEU A 56 44.033 28.481 -20.436 1.00 0.31 C ATOM 870 CD2 LEU A 56 44.306 28.989 -18.006 1.00 31.13 C ATOM 0 H LEU A 56 40.230 28.717 -18.285 1.00 75.42 H new ATOM 0 HA LEU A 56 42.320 30.474 -17.200 1.00 60.21 H new ATOM 0 HB2 LEU A 56 41.590 29.641 -20.029 1.00 50.30 H new ATOM 0 HB3 LEU A 56 42.877 30.764 -19.634 1.00 50.30 H new ATOM 0 HG LEU A 56 42.733 27.834 -18.870 1.00 25.35 H new ATOM 0 HD11 LEU A 56 44.724 27.646 -20.318 1.00 0.31 H new ATOM 0 HD12 LEU A 56 43.309 28.245 -21.216 1.00 0.31 H new ATOM 0 HD13 LEU A 56 44.589 29.376 -20.716 1.00 0.31 H new ATOM 0 HD21 LEU A 56 44.990 28.144 -17.923 1.00 31.13 H new ATOM 0 HD22 LEU A 56 44.872 29.893 -18.229 1.00 31.13 H new ATOM 0 HD23 LEU A 56 43.773 29.118 -17.064 1.00 31.13 H new ATOM 882 N GLY A 57 39.487 31.487 -18.117 1.00 1.41 N ATOM 883 CA GLY A 57 38.652 32.646 -18.358 1.00 43.53 C ATOM 884 C GLY A 57 38.580 32.990 -19.831 1.00 60.04 C ATOM 885 O GLY A 57 38.514 34.160 -20.206 1.00 13.12 O ATOM 0 H GLY A 57 38.981 30.636 -17.870 1.00 1.41 H new ATOM 0 HA2 GLY A 57 37.648 32.456 -17.980 1.00 43.53 H new ATOM 0 HA3 GLY A 57 39.045 33.499 -17.804 1.00 43.53 H new ATOM 889 N GLN A 58 38.626 31.963 -20.663 1.00 5.23 N ATOM 890 CA GLN A 58 38.545 32.128 -22.103 1.00 75.33 C ATOM 891 C GLN A 58 37.914 30.878 -22.700 1.00 45.23 C ATOM 892 O GLN A 58 38.346 29.768 -22.407 1.00 23.22 O ATOM 893 CB GLN A 58 39.941 32.366 -22.686 1.00 11.42 C ATOM 894 CG GLN A 58 39.935 32.726 -24.160 1.00 44.44 C ATOM 895 CD GLN A 58 41.309 33.106 -24.672 1.00 61.21 C ATOM 896 OE1 GLN A 58 41.701 34.272 -24.631 1.00 43.03 O ATOM 897 NE2 GLN A 58 42.047 32.126 -25.164 1.00 21.11 N ATOM 0 H GLN A 58 38.720 30.994 -20.359 1.00 5.23 H new ATOM 0 HA GLN A 58 37.930 32.995 -22.347 1.00 75.33 H new ATOM 0 HB2 GLN A 58 40.426 33.167 -22.128 1.00 11.42 H new ATOM 0 HB3 GLN A 58 40.542 31.468 -22.543 1.00 11.42 H new ATOM 0 HG2 GLN A 58 39.558 31.880 -24.735 1.00 44.44 H new ATOM 0 HG3 GLN A 58 39.248 33.556 -24.325 1.00 44.44 H new ATOM 0 HE21 GLN A 58 41.684 31.173 -25.179 1.00 21.11 H new ATOM 0 HE22 GLN A 58 42.979 32.323 -25.528 1.00 21.11 H new ATOM 906 N SER A 59 36.904 31.052 -23.536 1.00 14.32 N ATOM 907 CA SER A 59 36.106 29.925 -23.989 1.00 21.14 C ATOM 908 C SER A 59 36.683 29.252 -25.240 1.00 30.15 C ATOM 909 O SER A 59 37.687 29.696 -25.800 1.00 21.13 O ATOM 910 CB SER A 59 34.661 30.368 -24.199 1.00 31.20 C ATOM 911 OG SER A 59 34.593 31.523 -25.015 1.00 0.21 O ATOM 0 H SER A 59 36.619 31.956 -23.913 1.00 14.32 H new ATOM 0 HA SER A 59 36.132 29.164 -23.209 1.00 21.14 H new ATOM 0 HB2 SER A 59 34.093 29.560 -24.660 1.00 31.20 H new ATOM 0 HB3 SER A 59 34.197 30.573 -23.234 1.00 31.20 H new ATOM 0 HG SER A 59 34.564 31.256 -25.958 1.00 0.21 H new ATOM 917 N MET A 60 36.011 28.188 -25.679 1.00 4.23 N ATOM 918 CA MET A 60 36.574 27.229 -26.630 1.00 54.32 C ATOM 919 C MET A 60 36.645 27.748 -28.069 1.00 62.24 C ATOM 920 O MET A 60 37.354 27.176 -28.892 1.00 52.30 O ATOM 921 CB MET A 60 35.813 25.898 -26.544 1.00 53.34 C ATOM 922 CG MET A 60 34.306 26.021 -26.710 1.00 74.42 C ATOM 923 SD MET A 60 33.795 26.260 -28.424 1.00 3.20 S ATOM 924 CE MET A 60 32.033 26.491 -28.215 1.00 21.54 C ATOM 0 H MET A 60 35.060 27.966 -25.385 1.00 4.23 H new ATOM 0 HA MET A 60 37.612 27.070 -26.339 1.00 54.32 H new ATOM 0 HB2 MET A 60 36.196 25.225 -27.311 1.00 53.34 H new ATOM 0 HB3 MET A 60 36.023 25.436 -25.580 1.00 53.34 H new ATOM 0 HG2 MET A 60 33.830 25.122 -26.318 1.00 74.42 H new ATOM 0 HG3 MET A 60 33.948 26.859 -26.111 1.00 74.42 H new ATOM 0 HE1 MET A 60 31.569 26.651 -29.188 1.00 21.54 H new ATOM 0 HE2 MET A 60 31.602 25.604 -27.750 1.00 21.54 H new ATOM 0 HE3 MET A 60 31.853 27.358 -27.580 1.00 21.54 H new ATOM 934 N GLU A 61 35.929 28.817 -28.393 1.00 23.42 N ATOM 935 CA GLU A 61 36.091 29.430 -29.709 1.00 74.42 C ATOM 936 C GLU A 61 37.387 30.234 -29.753 1.00 75.51 C ATOM 937 O GLU A 61 37.871 30.607 -30.823 1.00 20.42 O ATOM 938 CB GLU A 61 34.894 30.309 -30.106 1.00 42.44 C ATOM 939 CG GLU A 61 34.432 31.284 -29.036 1.00 61.05 C ATOM 940 CD GLU A 61 33.460 30.652 -28.065 1.00 11.12 C ATOM 941 OE1 GLU A 61 33.914 30.033 -27.084 1.00 22.14 O ATOM 942 OE2 GLU A 61 32.236 30.767 -28.281 1.00 34.12 O1- ATOM 0 H GLU A 61 35.248 29.269 -27.783 1.00 23.42 H new ATOM 0 HA GLU A 61 36.139 28.622 -30.439 1.00 74.42 H new ATOM 0 HB2 GLU A 61 35.157 30.873 -31.001 1.00 42.44 H new ATOM 0 HB3 GLU A 61 34.059 29.661 -30.371 1.00 42.44 H new ATOM 0 HG2 GLU A 61 35.298 31.657 -28.489 1.00 61.05 H new ATOM 0 HG3 GLU A 61 33.960 32.144 -29.511 1.00 61.05 H new ATOM 949 N ALA A 62 37.955 30.468 -28.577 1.00 52.12 N ATOM 950 CA ALA A 62 39.214 31.164 -28.448 1.00 65.21 C ATOM 951 C ALA A 62 40.317 30.193 -28.046 1.00 34.10 C ATOM 952 O ALA A 62 41.460 30.594 -27.824 1.00 64.00 O ATOM 953 CB ALA A 62 39.091 32.289 -27.438 1.00 61.24 C ATOM 0 H ALA A 62 37.549 30.177 -27.688 1.00 52.12 H new ATOM 0 HA ALA A 62 39.477 31.598 -29.413 1.00 65.21 H new ATOM 0 HB1 ALA A 62 40.047 32.805 -27.350 1.00 61.24 H new ATOM 0 HB2 ALA A 62 38.327 32.993 -27.769 1.00 61.24 H new ATOM 0 HB3 ALA A 62 38.810 31.878 -26.468 1.00 61.24 H new ATOM 959 N VAL A 63 39.965 28.912 -27.948 1.00 73.13 N ATOM 960 CA VAL A 63 40.949 27.853 -27.745 1.00 24.42 C ATOM 961 C VAL A 63 40.603 26.623 -28.588 1.00 55.34 C ATOM 962 O VAL A 63 39.696 25.858 -28.263 1.00 73.14 O ATOM 963 CB VAL A 63 41.110 27.444 -26.254 1.00 61.35 C ATOM 964 CG1 VAL A 63 41.866 28.508 -25.473 1.00 71.21 C ATOM 965 CG2 VAL A 63 39.766 27.168 -25.593 1.00 55.25 C ATOM 0 H VAL A 63 39.001 28.583 -28.006 1.00 73.13 H new ATOM 0 HA VAL A 63 41.906 28.263 -28.069 1.00 24.42 H new ATOM 0 HB VAL A 63 41.688 26.520 -26.240 1.00 61.35 H new ATOM 0 HG11 VAL A 63 41.964 28.195 -24.433 1.00 71.21 H new ATOM 0 HG12 VAL A 63 42.857 28.642 -25.906 1.00 71.21 H new ATOM 0 HG13 VAL A 63 41.320 29.450 -25.519 1.00 71.21 H new ATOM 0 HG21 VAL A 63 39.924 26.885 -24.552 1.00 55.25 H new ATOM 0 HG22 VAL A 63 39.148 28.065 -25.636 1.00 55.25 H new ATOM 0 HG23 VAL A 63 39.263 26.356 -26.117 1.00 55.25 H new ATOM 975 N ARG A 64 41.331 26.452 -29.685 1.00 62.12 N ATOM 976 CA ARG A 64 41.123 25.323 -30.585 1.00 22.32 C ATOM 977 C ARG A 64 41.561 24.039 -29.902 1.00 10.41 C ATOM 978 O ARG A 64 42.747 23.843 -29.653 1.00 51.14 O ATOM 979 CB ARG A 64 41.922 25.509 -31.879 1.00 54.44 C ATOM 980 CG ARG A 64 41.733 24.378 -32.881 1.00 13.01 C ATOM 981 CD ARG A 64 42.902 24.277 -33.852 1.00 42.55 C ATOM 982 NE ARG A 64 43.019 25.440 -34.728 1.00 31.25 N ATOM 983 CZ ARG A 64 44.172 25.856 -35.260 1.00 15.00 C ATOM 984 NH1 ARG A 64 45.316 25.272 -34.921 1.00 3.51 N1+ ATOM 985 NH2 ARG A 64 44.183 26.871 -36.112 1.00 70.22 N ATOM 0 H ARG A 64 42.076 27.086 -29.975 1.00 62.12 H new ATOM 0 HA ARG A 64 40.063 25.267 -30.832 1.00 22.32 H new ATOM 0 HB2 ARG A 64 41.628 26.449 -32.346 1.00 54.44 H new ATOM 0 HB3 ARG A 64 42.981 25.592 -31.633 1.00 54.44 H new ATOM 0 HG2 ARG A 64 41.623 23.434 -32.347 1.00 13.01 H new ATOM 0 HG3 ARG A 64 40.810 24.538 -33.439 1.00 13.01 H new ATOM 0 HD2 ARG A 64 43.827 24.160 -33.287 1.00 42.55 H new ATOM 0 HD3 ARG A 64 42.785 23.381 -34.461 1.00 42.55 H new ATOM 0 HE ARG A 64 42.172 25.965 -34.946 1.00 31.25 H new ATOM 0 HH11 ARG A 64 45.317 24.502 -34.252 1.00 3.51 H new ATOM 0 HH12 ARG A 64 46.193 25.593 -35.330 1.00 3.51 H new ATOM 0 HH21 ARG A 64 43.310 27.336 -36.363 1.00 70.22 H new ATOM 0 HH22 ARG A 64 45.064 27.187 -36.517 1.00 70.22 H new ATOM 999 N PHE A 65 40.609 23.176 -29.598 1.00 1.01 N ATOM 1000 CA PHE A 65 40.898 21.947 -28.877 1.00 71.14 C ATOM 1001 C PHE A 65 41.208 20.792 -29.832 1.00 51.04 C ATOM 1002 O PHE A 65 40.341 20.308 -30.561 1.00 10.13 O ATOM 1003 CB PHE A 65 39.745 21.595 -27.918 1.00 12.02 C ATOM 1004 CG PHE A 65 38.362 21.706 -28.512 1.00 4.35 C ATOM 1005 CD1 PHE A 65 37.626 20.570 -28.802 1.00 23.21 C ATOM 1006 CD2 PHE A 65 37.795 22.949 -28.763 1.00 74.42 C ATOM 1007 CE1 PHE A 65 36.355 20.669 -29.336 1.00 40.23 C ATOM 1008 CE2 PHE A 65 36.527 23.053 -29.299 1.00 32.51 C ATOM 1009 CZ PHE A 65 35.805 21.911 -29.585 1.00 22.21 C ATOM 0 H PHE A 65 39.626 23.303 -29.839 1.00 1.01 H new ATOM 0 HA PHE A 65 41.794 22.113 -28.279 1.00 71.14 H new ATOM 0 HB2 PHE A 65 39.889 20.576 -27.560 1.00 12.02 H new ATOM 0 HB3 PHE A 65 39.804 22.249 -27.048 1.00 12.02 H new ATOM 0 HD1 PHE A 65 38.050 19.596 -28.609 1.00 23.21 H new ATOM 0 HD2 PHE A 65 38.353 23.845 -28.536 1.00 74.42 H new ATOM 0 HE1 PHE A 65 35.792 19.775 -29.559 1.00 40.23 H new ATOM 0 HE2 PHE A 65 36.100 24.026 -29.494 1.00 32.51 H new ATOM 0 HZ PHE A 65 34.812 21.989 -30.003 1.00 22.21 H new ATOM 1019 N LEU A 66 42.472 20.386 -29.841 1.00 3.44 N ATOM 1020 CA LEU A 66 42.930 19.248 -30.633 1.00 54.44 C ATOM 1021 C LEU A 66 43.198 18.068 -29.716 1.00 3.34 C ATOM 1022 O LEU A 66 43.890 18.222 -28.719 1.00 63.15 O ATOM 1023 CB LEU A 66 44.238 19.579 -31.370 1.00 43.35 C ATOM 1024 CG LEU A 66 44.191 20.745 -32.361 1.00 33.23 C ATOM 1025 CD1 LEU A 66 44.407 22.069 -31.650 1.00 0.12 C ATOM 1026 CD2 LEU A 66 45.228 20.556 -33.456 1.00 53.02 C ATOM 0 H LEU A 66 43.210 20.836 -29.299 1.00 3.44 H new ATOM 0 HA LEU A 66 42.153 19.011 -31.360 1.00 54.44 H new ATOM 0 HB2 LEU A 66 45.003 19.796 -30.625 1.00 43.35 H new ATOM 0 HB3 LEU A 66 44.561 18.688 -31.908 1.00 43.35 H new ATOM 0 HG LEU A 66 43.202 20.761 -32.818 1.00 33.23 H new ATOM 0 HD11 LEU A 66 44.369 22.882 -32.375 1.00 0.12 H new ATOM 0 HD12 LEU A 66 43.626 22.213 -30.903 1.00 0.12 H new ATOM 0 HD13 LEU A 66 45.381 22.064 -31.161 1.00 0.12 H new ATOM 0 HD21 LEU A 66 45.180 21.394 -34.151 1.00 53.02 H new ATOM 0 HD22 LEU A 66 46.222 20.510 -33.012 1.00 53.02 H new ATOM 0 HD23 LEU A 66 45.027 19.628 -33.992 1.00 53.02 H new ATOM 1038 N TYR A 67 42.686 16.890 -30.031 1.00 31.41 N ATOM 1039 CA TYR A 67 43.007 15.735 -29.210 1.00 20.11 C ATOM 1040 C TYR A 67 43.527 14.595 -30.070 1.00 74.01 C ATOM 1041 O TYR A 67 43.099 14.420 -31.209 1.00 2.22 O ATOM 1042 CB TYR A 67 41.822 15.319 -28.322 1.00 43.11 C ATOM 1043 CG TYR A 67 40.920 14.230 -28.865 1.00 44.31 C ATOM 1044 CD1 TYR A 67 40.879 12.983 -28.250 1.00 53.11 C ATOM 1045 CD2 TYR A 67 40.085 14.451 -29.952 1.00 43.34 C ATOM 1046 CE1 TYR A 67 40.038 11.988 -28.704 1.00 20.14 C ATOM 1047 CE2 TYR A 67 39.244 13.456 -30.415 1.00 70.41 C ATOM 1048 CZ TYR A 67 39.221 12.230 -29.784 1.00 13.14 C ATOM 1049 OH TYR A 67 38.370 11.246 -30.232 1.00 73.41 O ATOM 0 H TYR A 67 42.067 16.710 -30.822 1.00 31.41 H new ATOM 0 HA TYR A 67 43.809 16.014 -28.526 1.00 20.11 H new ATOM 0 HB2 TYR A 67 42.216 14.988 -27.361 1.00 43.11 H new ATOM 0 HB3 TYR A 67 41.213 16.202 -28.130 1.00 43.11 H new ATOM 0 HD1 TYR A 67 41.518 12.790 -27.401 1.00 53.11 H new ATOM 0 HD2 TYR A 67 40.092 15.413 -30.443 1.00 43.34 H new ATOM 0 HE1 TYR A 67 40.021 11.025 -28.215 1.00 20.14 H new ATOM 0 HE2 TYR A 67 38.607 13.638 -31.268 1.00 70.41 H new ATOM 0 HH TYR A 67 37.651 11.114 -29.580 1.00 73.41 H new ATOM 1059 N ASP A 68 44.496 13.860 -29.523 1.00 41.34 N ATOM 1060 CA ASP A 68 45.248 12.854 -30.279 1.00 70.30 C ATOM 1061 C ASP A 68 45.961 13.520 -31.461 1.00 63.40 C ATOM 1062 O ASP A 68 46.358 12.874 -32.428 1.00 15.11 O ATOM 1063 CB ASP A 68 44.321 11.725 -30.757 1.00 75.51 C ATOM 1064 CG ASP A 68 45.072 10.573 -31.401 1.00 2.14 C ATOM 1065 OD1 ASP A 68 45.821 9.872 -30.686 1.00 32.21 O ATOM 1066 OD2 ASP A 68 44.910 10.350 -32.620 1.00 31.41 O1- ATOM 0 H ASP A 68 44.782 13.944 -28.547 1.00 41.34 H new ATOM 0 HA ASP A 68 45.998 12.409 -29.626 1.00 70.30 H new ATOM 0 HB2 ASP A 68 43.748 11.349 -29.909 1.00 75.51 H new ATOM 0 HB3 ASP A 68 43.604 12.129 -31.472 1.00 75.51 H new ATOM 1071 N GLY A 69 46.165 14.827 -31.344 1.00 73.33 N ATOM 1072 CA GLY A 69 46.851 15.570 -32.383 1.00 31.22 C ATOM 1073 C GLY A 69 45.906 16.281 -33.334 1.00 61.52 C ATOM 1074 O GLY A 69 46.318 17.203 -34.039 1.00 60.14 O ATOM 0 H GLY A 69 45.866 15.386 -30.545 1.00 73.33 H new ATOM 0 HA2 GLY A 69 47.511 16.304 -31.920 1.00 31.22 H new ATOM 0 HA3 GLY A 69 47.483 14.888 -32.952 1.00 31.22 H new ATOM 1078 N ASP A 70 44.641 15.876 -33.347 1.00 53.11 N ATOM 1079 CA ASP A 70 43.687 16.410 -34.315 1.00 72.13 C ATOM 1080 C ASP A 70 42.483 17.044 -33.626 1.00 44.24 C ATOM 1081 O ASP A 70 41.841 16.429 -32.775 1.00 64.30 O ATOM 1082 CB ASP A 70 43.229 15.299 -35.262 1.00 12.43 C ATOM 1083 CG ASP A 70 42.381 15.805 -36.416 1.00 51.11 C ATOM 1084 OD1 ASP A 70 42.678 16.893 -36.949 1.00 0.21 O ATOM 1085 OD2 ASP A 70 41.442 15.092 -36.826 1.00 51.24 O1- ATOM 0 H ASP A 70 44.253 15.185 -32.704 1.00 53.11 H new ATOM 0 HA ASP A 70 44.189 17.190 -34.887 1.00 72.13 H new ATOM 0 HB2 ASP A 70 44.105 14.787 -35.661 1.00 12.43 H new ATOM 0 HB3 ASP A 70 42.659 14.562 -34.697 1.00 12.43 H new ATOM 1090 N ARG A 71 42.215 18.295 -33.970 1.00 22.42 N ATOM 1091 CA ARG A 71 41.034 19.003 -33.483 1.00 4.53 C ATOM 1092 C ARG A 71 39.757 18.359 -34.012 1.00 73.24 C ATOM 1093 O ARG A 71 39.749 17.769 -35.093 1.00 53.50 O ATOM 1094 CB ARG A 71 41.099 20.491 -33.870 1.00 35.54 C ATOM 1095 CG ARG A 71 41.530 20.754 -35.309 1.00 31.51 C ATOM 1096 CD ARG A 71 40.398 20.555 -36.307 1.00 31.40 C ATOM 1097 NE ARG A 71 40.901 20.453 -37.674 1.00 41.13 N ATOM 1098 CZ ARG A 71 40.266 20.910 -38.751 1.00 30.34 C ATOM 1099 NH1 ARG A 71 39.119 21.575 -38.631 1.00 31.45 N1+ ATOM 1100 NH2 ARG A 71 40.791 20.702 -39.951 1.00 61.14 N ATOM 0 H ARG A 71 42.805 18.848 -34.591 1.00 22.42 H new ATOM 0 HA ARG A 71 41.018 18.933 -32.395 1.00 4.53 H new ATOM 0 HB2 ARG A 71 40.117 20.938 -33.711 1.00 35.54 H new ATOM 0 HB3 ARG A 71 41.792 20.998 -33.198 1.00 35.54 H new ATOM 0 HG2 ARG A 71 41.906 21.774 -35.391 1.00 31.51 H new ATOM 0 HG3 ARG A 71 42.355 20.089 -35.564 1.00 31.51 H new ATOM 0 HD2 ARG A 71 39.843 19.651 -36.054 1.00 31.40 H new ATOM 0 HD3 ARG A 71 39.699 21.388 -36.237 1.00 31.40 H new ATOM 0 HE ARG A 71 41.804 19.999 -37.814 1.00 41.13 H new ATOM 0 HH11 ARG A 71 38.719 21.739 -37.707 1.00 31.45 H new ATOM 0 HH12 ARG A 71 38.641 21.921 -39.463 1.00 31.45 H new ATOM 0 HH21 ARG A 71 41.672 20.197 -40.041 1.00 61.14 H new ATOM 0 HH22 ARG A 71 40.313 21.047 -40.783 1.00 61.14 H new ATOM 1114 N ILE A 72 38.683 18.482 -33.250 1.00 75.30 N ATOM 1115 CA ILE A 72 37.423 17.843 -33.591 1.00 23.12 C ATOM 1116 C ILE A 72 36.332 18.360 -32.648 1.00 21.23 C ATOM 1117 O ILE A 72 36.586 19.277 -31.877 1.00 74.34 O ATOM 1118 CB ILE A 72 37.571 16.304 -33.495 1.00 62.51 C ATOM 1119 CG1 ILE A 72 36.505 15.594 -34.331 1.00 50.23 C ATOM 1120 CG2 ILE A 72 37.516 15.842 -32.042 1.00 14.53 C ATOM 1121 CD1 ILE A 72 36.743 14.106 -34.470 1.00 62.02 C ATOM 0 H ILE A 72 38.659 19.022 -32.385 1.00 75.30 H new ATOM 0 HA ILE A 72 37.142 18.086 -34.616 1.00 23.12 H new ATOM 0 HB ILE A 72 38.547 16.037 -33.900 1.00 62.51 H new ATOM 0 HG12 ILE A 72 35.528 15.757 -33.875 1.00 50.23 H new ATOM 0 HG13 ILE A 72 36.473 16.044 -35.323 1.00 50.23 H new ATOM 0 HG21 ILE A 72 37.622 14.758 -32.001 1.00 14.53 H new ATOM 0 HG22 ILE A 72 38.326 16.308 -31.481 1.00 14.53 H new ATOM 0 HG23 ILE A 72 36.560 16.130 -31.605 1.00 14.53 H new ATOM 0 HD11 ILE A 72 35.950 13.666 -35.074 1.00 62.02 H new ATOM 0 HD12 ILE A 72 37.705 13.935 -34.953 1.00 62.02 H new ATOM 0 HD13 ILE A 72 36.746 13.644 -33.483 1.00 62.02 H new ATOM 1133 N HIS A 73 35.132 17.799 -32.709 1.00 53.04 N ATOM 1134 CA HIS A 73 34.057 18.230 -31.821 1.00 43.03 C ATOM 1135 C HIS A 73 34.131 17.483 -30.494 1.00 24.44 C ATOM 1136 O HIS A 73 34.559 16.329 -30.449 1.00 15.32 O ATOM 1137 CB HIS A 73 32.689 17.992 -32.462 1.00 55.44 C ATOM 1138 CG HIS A 73 32.448 18.768 -33.719 1.00 52.52 C ATOM 1139 ND1 HIS A 73 31.954 20.053 -33.730 1.00 23.24 N ATOM 1140 CD2 HIS A 73 32.616 18.423 -35.015 1.00 42.44 C ATOM 1141 CE1 HIS A 73 31.826 20.463 -34.978 1.00 61.52 C ATOM 1142 NE2 HIS A 73 32.223 19.493 -35.779 1.00 53.34 N ATOM 0 H HIS A 73 34.878 17.052 -33.356 1.00 53.04 H new ATOM 0 HA HIS A 73 34.181 19.298 -31.643 1.00 43.03 H new ATOM 0 HB2 HIS A 73 32.584 16.929 -32.681 1.00 55.44 H new ATOM 0 HB3 HIS A 73 31.914 18.246 -31.739 1.00 55.44 H new ATOM 0 HD2 HIS A 73 32.991 17.479 -35.382 1.00 42.44 H new ATOM 0 HE1 HIS A 73 31.458 21.429 -35.291 1.00 61.52 H new ATOM 0 HE2 HIS A 73 32.236 19.532 -36.798 1.00 53.34 H new ATOM 1151 N GLY A 74 33.699 18.134 -29.418 1.00 2.32 N ATOM 1152 CA GLY A 74 33.753 17.515 -28.110 1.00 30.33 C ATOM 1153 C GLY A 74 32.796 16.348 -27.984 1.00 45.23 C ATOM 1154 O GLY A 74 32.974 15.473 -27.134 1.00 50.31 O ATOM 0 H GLY A 74 33.313 19.078 -29.431 1.00 2.32 H new ATOM 0 HA2 GLY A 74 34.769 17.171 -27.915 1.00 30.33 H new ATOM 0 HA3 GLY A 74 33.517 18.259 -27.349 1.00 30.33 H new ATOM 1158 N ASP A 75 31.788 16.322 -28.847 1.00 32.14 N ATOM 1159 CA ASP A 75 30.774 15.276 -28.816 1.00 72.23 C ATOM 1160 C ASP A 75 31.277 13.986 -29.461 1.00 10.20 C ATOM 1161 O ASP A 75 30.589 12.967 -29.431 1.00 3.33 O ATOM 1162 CB ASP A 75 29.494 15.742 -29.518 1.00 71.41 C ATOM 1163 CG ASP A 75 29.678 15.956 -31.008 1.00 34.44 C ATOM 1164 OD1 ASP A 75 29.447 15.007 -31.787 1.00 15.34 O ATOM 1165 OD2 ASP A 75 30.041 17.078 -31.409 1.00 4.31 O1- ATOM 0 H ASP A 75 31.651 17.017 -29.581 1.00 32.14 H new ATOM 0 HA ASP A 75 30.553 15.070 -27.769 1.00 72.23 H new ATOM 0 HB2 ASP A 75 28.709 15.003 -29.357 1.00 71.41 H new ATOM 0 HB3 ASP A 75 29.155 16.672 -29.062 1.00 71.41 H new ATOM 1170 N ASN A 76 32.481 14.026 -30.025 1.00 64.25 N ATOM 1171 CA ASN A 76 33.050 12.857 -30.695 1.00 64.43 C ATOM 1172 C ASN A 76 33.447 11.779 -29.688 1.00 13.52 C ATOM 1173 O ASN A 76 33.518 10.612 -30.041 1.00 71.25 O ATOM 1174 CB ASN A 76 34.266 13.259 -31.539 1.00 33.10 C ATOM 1175 CG ASN A 76 34.889 12.088 -32.288 1.00 40.10 C ATOM 1176 OD1 ASN A 76 34.470 11.745 -33.396 1.00 32.24 O ATOM 1177 ND2 ASN A 76 35.907 11.478 -31.701 1.00 30.14 N ATOM 0 H ASN A 76 33.081 14.851 -30.032 1.00 64.25 H new ATOM 0 HA ASN A 76 32.283 12.446 -31.351 1.00 64.43 H new ATOM 0 HB2 ASN A 76 33.966 14.023 -32.256 1.00 33.10 H new ATOM 0 HB3 ASN A 76 35.018 13.709 -30.890 1.00 33.10 H new ATOM 0 HD21 ASN A 76 36.371 10.698 -32.166 1.00 30.14 H new ATOM 0 HD22 ASN A 76 36.227 11.788 -30.784 1.00 30.14 H new ATOM 1184 N THR A 77 33.687 12.202 -28.441 1.00 21.44 N ATOM 1185 CA THR A 77 34.112 11.325 -27.333 1.00 65.40 C ATOM 1186 C THR A 77 35.518 10.744 -27.571 1.00 53.35 C ATOM 1187 O THR A 77 36.020 10.734 -28.696 1.00 42.51 O ATOM 1188 CB THR A 77 33.096 10.182 -27.019 1.00 70.12 C ATOM 1189 OG1 THR A 77 33.151 9.131 -27.986 1.00 4.33 O ATOM 1190 CG2 THR A 77 31.677 10.721 -26.948 1.00 65.33 C ATOM 0 H THR A 77 33.591 13.179 -28.165 1.00 21.44 H new ATOM 0 HA THR A 77 34.144 11.968 -26.454 1.00 65.40 H new ATOM 0 HB THR A 77 33.381 9.772 -26.050 1.00 70.12 H new ATOM 0 HG1 THR A 77 33.394 8.291 -27.543 1.00 4.33 H new ATOM 0 HG21 THR A 77 30.988 9.905 -26.728 1.00 65.33 H new ATOM 0 HG22 THR A 77 31.612 11.473 -26.161 1.00 65.33 H new ATOM 0 HG23 THR A 77 31.411 11.173 -27.904 1.00 65.33 H new ATOM 1198 N PRO A 78 36.196 10.298 -26.499 1.00 63.14 N ATOM 1199 CA PRO A 78 37.568 9.782 -26.585 1.00 44.41 C ATOM 1200 C PRO A 78 37.666 8.429 -27.293 1.00 73.22 C ATOM 1201 O PRO A 78 38.304 8.314 -28.343 1.00 62.52 O ATOM 1202 CB PRO A 78 38.004 9.643 -25.118 1.00 13.24 C ATOM 1203 CG PRO A 78 36.971 10.367 -24.319 1.00 24.53 C ATOM 1204 CD PRO A 78 35.704 10.284 -25.116 1.00 62.11 C ATOM 0 HA PRO A 78 38.196 10.450 -27.175 1.00 44.41 H new ATOM 0 HB2 PRO A 78 38.062 8.595 -24.825 1.00 13.24 H new ATOM 0 HB3 PRO A 78 38.993 10.073 -24.961 1.00 13.24 H new ATOM 0 HG2 PRO A 78 36.846 9.911 -23.337 1.00 24.53 H new ATOM 0 HG3 PRO A 78 37.261 11.405 -24.153 1.00 24.53 H new ATOM 0 HD2 PRO A 78 35.144 9.376 -24.894 1.00 62.11 H new ATOM 0 HD3 PRO A 78 35.041 11.125 -24.913 1.00 62.11 H new ATOM 1212 N GLU A 79 36.993 7.417 -26.741 1.00 53.55 N ATOM 1213 CA GLU A 79 37.162 6.033 -27.193 1.00 13.34 C ATOM 1214 C GLU A 79 36.714 5.848 -28.641 1.00 42.02 C ATOM 1215 O GLU A 79 37.102 4.884 -29.299 1.00 71.44 O ATOM 1216 CB GLU A 79 36.395 5.057 -26.292 1.00 73.21 C ATOM 1217 CG GLU A 79 34.877 5.118 -26.434 1.00 74.52 C ATOM 1218 CD GLU A 79 34.250 6.305 -25.733 1.00 5.43 C ATOM 1219 OE1 GLU A 79 34.244 7.412 -26.306 1.00 63.15 O ATOM 1220 OE2 GLU A 79 33.741 6.127 -24.608 1.00 62.13 O1- ATOM 0 H GLU A 79 36.325 7.530 -25.979 1.00 53.55 H new ATOM 0 HA GLU A 79 38.228 5.814 -27.131 1.00 13.34 H new ATOM 0 HB2 GLU A 79 36.727 4.042 -26.513 1.00 73.21 H new ATOM 0 HB3 GLU A 79 36.658 5.259 -25.254 1.00 73.21 H new ATOM 0 HG2 GLU A 79 34.621 5.155 -27.493 1.00 74.52 H new ATOM 0 HG3 GLU A 79 34.446 4.201 -26.033 1.00 74.52 H new ATOM 1227 N GLN A 80 35.910 6.783 -29.130 1.00 45.33 N ATOM 1228 CA GLN A 80 35.382 6.722 -30.487 1.00 74.25 C ATOM 1229 C GLN A 80 36.513 6.796 -31.514 1.00 73.11 C ATOM 1230 O GLN A 80 36.382 6.310 -32.641 1.00 61.03 O ATOM 1231 CB GLN A 80 34.407 7.876 -30.703 1.00 42.54 C ATOM 1232 CG GLN A 80 33.394 7.638 -31.806 1.00 40.33 C ATOM 1233 CD GLN A 80 32.456 6.491 -31.486 1.00 61.53 C ATOM 1234 OE1 GLN A 80 32.712 5.344 -31.849 1.00 12.31 O ATOM 1235 NE2 GLN A 80 31.366 6.789 -30.800 1.00 14.43 N ATOM 0 H GLN A 80 35.607 7.601 -28.601 1.00 45.33 H new ATOM 0 HA GLN A 80 34.863 5.773 -30.619 1.00 74.25 H new ATOM 0 HB2 GLN A 80 33.874 8.066 -29.771 1.00 42.54 H new ATOM 0 HB3 GLN A 80 34.974 8.777 -30.935 1.00 42.54 H new ATOM 0 HG2 GLN A 80 32.813 8.546 -31.965 1.00 40.33 H new ATOM 0 HG3 GLN A 80 33.918 7.427 -32.738 1.00 40.33 H new ATOM 0 HE21 GLN A 80 31.189 7.753 -30.517 1.00 14.43 H new ATOM 0 HE22 GLN A 80 30.702 6.055 -30.554 1.00 14.43 H new ATOM 1244 N LEU A 81 37.624 7.403 -31.118 1.00 2.24 N ATOM 1245 CA LEU A 81 38.772 7.529 -32.001 1.00 73.11 C ATOM 1246 C LEU A 81 39.713 6.344 -31.810 1.00 31.23 C ATOM 1247 O LEU A 81 40.406 5.929 -32.741 1.00 13.32 O ATOM 1248 CB LEU A 81 39.512 8.841 -31.735 1.00 12.23 C ATOM 1249 CG LEU A 81 40.607 9.193 -32.746 1.00 34.10 C ATOM 1250 CD1 LEU A 81 40.021 9.339 -34.142 1.00 12.24 C ATOM 1251 CD2 LEU A 81 41.317 10.471 -32.333 1.00 63.31 C ATOM 0 H LEU A 81 37.753 7.814 -30.194 1.00 2.24 H new ATOM 0 HA LEU A 81 38.418 7.536 -33.032 1.00 73.11 H new ATOM 0 HB2 LEU A 81 38.784 9.652 -31.716 1.00 12.23 H new ATOM 0 HB3 LEU A 81 39.960 8.791 -30.742 1.00 12.23 H new ATOM 0 HG LEU A 81 41.334 8.381 -32.762 1.00 34.10 H new ATOM 0 HD11 LEU A 81 40.815 9.589 -34.846 1.00 12.24 H new ATOM 0 HD12 LEU A 81 39.554 8.400 -34.441 1.00 12.24 H new ATOM 0 HD13 LEU A 81 39.273 10.132 -34.142 1.00 12.24 H new ATOM 0 HD21 LEU A 81 42.092 10.708 -33.061 1.00 63.31 H new ATOM 0 HD22 LEU A 81 40.598 11.289 -32.289 1.00 63.31 H new ATOM 0 HD23 LEU A 81 41.771 10.334 -31.351 1.00 63.31 H new ATOM 1263 N GLY A 82 39.719 5.791 -30.605 1.00 62.20 N ATOM 1264 CA GLY A 82 40.565 4.655 -30.315 1.00 2.54 C ATOM 1265 C GLY A 82 41.512 4.944 -29.175 1.00 50.45 C ATOM 1266 O GLY A 82 42.055 4.029 -28.558 1.00 62.11 O ATOM 0 H GLY A 82 39.150 6.112 -29.822 1.00 62.20 H new ATOM 0 HA2 GLY A 82 39.946 3.794 -30.065 1.00 2.54 H new ATOM 0 HA3 GLY A 82 41.136 4.389 -31.205 1.00 2.54 H new ATOM 1270 N ILE A 83 41.707 6.226 -28.895 1.00 21.12 N ATOM 1271 CA ILE A 83 42.540 6.650 -27.784 1.00 62.23 C ATOM 1272 C ILE A 83 41.666 7.071 -26.608 1.00 53.32 C ATOM 1273 O ILE A 83 40.644 7.732 -26.787 1.00 34.30 O ATOM 1274 CB ILE A 83 43.489 7.804 -28.192 1.00 12.34 C ATOM 1275 CG1 ILE A 83 44.436 8.151 -27.039 1.00 11.32 C ATOM 1276 CG2 ILE A 83 42.701 9.033 -28.635 1.00 63.43 C ATOM 1277 CD1 ILE A 83 45.461 9.207 -27.392 1.00 21.45 C ATOM 0 H ILE A 83 41.295 6.992 -29.427 1.00 21.12 H new ATOM 0 HA ILE A 83 43.160 5.804 -27.486 1.00 62.23 H new ATOM 0 HB ILE A 83 44.086 7.469 -29.040 1.00 12.34 H new ATOM 0 HG12 ILE A 83 43.848 8.497 -26.189 1.00 11.32 H new ATOM 0 HG13 ILE A 83 44.954 7.246 -26.721 1.00 11.32 H new ATOM 0 HG21 ILE A 83 43.393 9.827 -28.916 1.00 63.43 H new ATOM 0 HG22 ILE A 83 42.077 8.776 -29.491 1.00 63.43 H new ATOM 0 HG23 ILE A 83 42.069 9.375 -27.815 1.00 63.43 H new ATOM 0 HD11 ILE A 83 46.096 9.401 -26.528 1.00 21.45 H new ATOM 0 HD12 ILE A 83 46.075 8.856 -28.222 1.00 21.45 H new ATOM 0 HD13 ILE A 83 44.952 10.126 -27.681 1.00 21.45 H new ATOM 1289 N GLU A 84 42.052 6.655 -25.417 1.00 64.03 N ATOM 1290 CA GLU A 84 41.311 6.991 -24.214 1.00 52.21 C ATOM 1291 C GLU A 84 42.291 7.100 -23.040 1.00 4.41 C ATOM 1292 O GLU A 84 43.467 7.371 -23.276 1.00 32.15 O ATOM 1293 CB GLU A 84 40.217 5.939 -23.963 1.00 52.31 C ATOM 1294 CG GLU A 84 39.129 6.401 -22.999 1.00 42.14 C ATOM 1295 CD GLU A 84 38.151 5.305 -22.635 1.00 24.00 C ATOM 1296 OE1 GLU A 84 38.509 4.425 -21.828 1.00 30.13 O ATOM 1297 OE2 GLU A 84 37.009 5.326 -23.133 1.00 13.42 O1- ATOM 0 H GLU A 84 42.879 6.080 -25.255 1.00 64.03 H new ATOM 0 HA GLU A 84 40.812 7.953 -24.329 1.00 52.21 H new ATOM 0 HB2 GLU A 84 39.757 5.672 -24.915 1.00 52.31 H new ATOM 0 HB3 GLU A 84 40.679 5.034 -23.568 1.00 52.31 H new ATOM 0 HG2 GLU A 84 39.595 6.780 -22.090 1.00 42.14 H new ATOM 0 HG3 GLU A 84 38.584 7.231 -23.447 1.00 42.14 H new ATOM 1304 N ASP A 85 41.799 6.855 -21.810 1.00 34.14 N ATOM 1305 CA ASP A 85 42.537 7.086 -20.546 1.00 62.20 C ATOM 1306 C ASP A 85 44.054 7.146 -20.720 1.00 24.11 C ATOM 1307 O ASP A 85 44.709 6.161 -21.068 1.00 63.13 O ATOM 1308 CB ASP A 85 42.172 6.023 -19.495 1.00 41.01 C ATOM 1309 CG ASP A 85 42.672 4.628 -19.830 1.00 33.33 C ATOM 1310 OD1 ASP A 85 42.113 3.994 -20.749 1.00 0.20 O ATOM 1311 OD2 ASP A 85 43.612 4.149 -19.159 1.00 54.52 O1- ATOM 0 H ASP A 85 40.861 6.484 -21.661 1.00 34.14 H new ATOM 0 HA ASP A 85 42.223 8.071 -20.200 1.00 62.20 H new ATOM 0 HB2 ASP A 85 42.583 6.324 -18.531 1.00 41.01 H new ATOM 0 HB3 ASP A 85 41.088 5.993 -19.384 1.00 41.01 H new ATOM 1316 N GLY A 86 44.606 8.325 -20.481 1.00 32.23 N ATOM 1317 CA GLY A 86 46.016 8.537 -20.703 1.00 42.34 C ATOM 1318 C GLY A 86 46.247 9.435 -21.895 1.00 60.32 C ATOM 1319 O GLY A 86 47.388 9.652 -22.317 1.00 42.55 O ATOM 0 H GLY A 86 44.099 9.140 -20.136 1.00 32.23 H new ATOM 0 HA2 GLY A 86 46.465 8.983 -19.815 1.00 42.34 H new ATOM 0 HA3 GLY A 86 46.511 7.579 -20.864 1.00 42.34 H new ATOM 1323 N ASP A 87 45.150 9.941 -22.440 1.00 21.12 N ATOM 1324 CA ASP A 87 45.178 10.773 -23.636 1.00 23.23 C ATOM 1325 C ASP A 87 45.425 12.234 -23.277 1.00 62.04 C ATOM 1326 O ASP A 87 45.464 12.603 -22.098 1.00 50.43 O ATOM 1327 CB ASP A 87 43.859 10.634 -24.411 1.00 41.43 C ATOM 1328 CG ASP A 87 42.642 11.030 -23.592 1.00 70.52 C ATOM 1329 OD1 ASP A 87 42.373 10.368 -22.563 1.00 13.22 O ATOM 1330 OD2 ASP A 87 41.945 11.986 -23.987 1.00 3.13 O1- ATOM 0 H ASP A 87 44.214 9.786 -22.065 1.00 21.12 H new ATOM 0 HA ASP A 87 45.998 10.433 -24.268 1.00 23.23 H new ATOM 0 HB2 ASP A 87 43.904 11.253 -25.307 1.00 41.43 H new ATOM 0 HB3 ASP A 87 43.746 9.602 -24.742 1.00 41.43 H new ATOM 1335 N VAL A 88 45.612 13.062 -24.298 1.00 40.21 N ATOM 1336 CA VAL A 88 45.891 14.473 -24.092 1.00 30.05 C ATOM 1337 C VAL A 88 45.138 15.336 -25.101 1.00 62.31 C ATOM 1338 O VAL A 88 44.745 14.868 -26.176 1.00 44.01 O ATOM 1339 CB VAL A 88 47.403 14.795 -24.187 1.00 1.54 C ATOM 1340 CG1 VAL A 88 48.199 14.040 -23.133 1.00 21.12 C ATOM 1341 CG2 VAL A 88 47.932 14.488 -25.577 1.00 55.10 C ATOM 0 H VAL A 88 45.575 12.778 -25.277 1.00 40.21 H new ATOM 0 HA VAL A 88 45.551 14.704 -23.082 1.00 30.05 H new ATOM 0 HB VAL A 88 47.526 15.861 -23.997 1.00 1.54 H new ATOM 0 HG11 VAL A 88 49.256 14.289 -23.228 1.00 21.12 H new ATOM 0 HG12 VAL A 88 47.847 14.322 -22.140 1.00 21.12 H new ATOM 0 HG13 VAL A 88 48.065 12.968 -23.275 1.00 21.12 H new ATOM 0 HG21 VAL A 88 48.996 14.722 -25.621 1.00 55.10 H new ATOM 0 HG22 VAL A 88 47.783 13.431 -25.798 1.00 55.10 H new ATOM 0 HG23 VAL A 88 47.397 15.091 -26.311 1.00 55.10 H new ATOM 1351 N ILE A 89 44.962 16.599 -24.747 1.00 14.43 N ATOM 1352 CA ILE A 89 44.260 17.559 -25.581 1.00 51.25 C ATOM 1353 C ILE A 89 45.064 18.850 -25.619 1.00 71.31 C ATOM 1354 O ILE A 89 45.598 19.275 -24.605 1.00 41.13 O ATOM 1355 CB ILE A 89 42.834 17.859 -25.042 1.00 64.41 C ATOM 1356 CG1 ILE A 89 41.994 16.577 -24.978 1.00 0.23 C ATOM 1357 CG2 ILE A 89 42.135 18.910 -25.899 1.00 64.41 C ATOM 1358 CD1 ILE A 89 40.604 16.783 -24.407 1.00 62.23 C ATOM 0 H ILE A 89 45.304 16.988 -23.868 1.00 14.43 H new ATOM 0 HA ILE A 89 44.155 17.135 -26.580 1.00 51.25 H new ATOM 0 HB ILE A 89 42.936 18.255 -24.032 1.00 64.41 H new ATOM 0 HG12 ILE A 89 41.906 16.161 -25.982 1.00 0.23 H new ATOM 0 HG13 ILE A 89 42.520 15.839 -24.372 1.00 0.23 H new ATOM 0 HG21 ILE A 89 41.139 19.101 -25.500 1.00 64.41 H new ATOM 0 HG22 ILE A 89 42.714 19.833 -25.887 1.00 64.41 H new ATOM 0 HG23 ILE A 89 42.052 18.547 -26.924 1.00 64.41 H new ATOM 0 HD11 ILE A 89 40.071 15.832 -24.394 1.00 62.23 H new ATOM 0 HD12 ILE A 89 40.682 17.169 -23.391 1.00 62.23 H new ATOM 0 HD13 ILE A 89 40.059 17.496 -25.025 1.00 62.23 H new ATOM 1370 N ASP A 90 45.161 19.457 -26.780 1.00 34.30 N ATOM 1371 CA ASP A 90 45.931 20.679 -26.931 1.00 21.13 C ATOM 1372 C ASP A 90 45.015 21.800 -27.377 1.00 54.30 C ATOM 1373 O ASP A 90 44.290 21.652 -28.359 1.00 1.13 O ATOM 1374 CB ASP A 90 47.043 20.476 -27.955 1.00 33.21 C ATOM 1375 CG ASP A 90 48.186 21.454 -27.797 1.00 41.43 C ATOM 1376 OD1 ASP A 90 49.262 21.020 -27.330 1.00 53.43 O ATOM 1377 OD2 ASP A 90 48.029 22.637 -28.156 1.00 21.31 O1- ATOM 0 H ASP A 90 44.717 19.127 -27.637 1.00 34.30 H new ATOM 0 HA ASP A 90 46.382 20.940 -25.973 1.00 21.13 H new ATOM 0 HB2 ASP A 90 47.428 19.460 -27.867 1.00 33.21 H new ATOM 0 HB3 ASP A 90 46.627 20.573 -28.958 1.00 33.21 H new ATOM 1382 N ALA A 91 45.020 22.904 -26.657 1.00 30.14 N ATOM 1383 CA ALA A 91 44.161 24.021 -27.007 1.00 22.54 C ATOM 1384 C ALA A 91 44.992 25.197 -27.487 1.00 62.41 C ATOM 1385 O ALA A 91 45.774 25.761 -26.734 1.00 34.40 O ATOM 1386 CB ALA A 91 43.301 24.420 -25.817 1.00 33.33 C ATOM 0 H ALA A 91 45.603 23.053 -25.833 1.00 30.14 H new ATOM 0 HA ALA A 91 43.502 23.714 -27.819 1.00 22.54 H new ATOM 0 HB1 ALA A 91 42.662 25.259 -26.095 1.00 33.33 H new ATOM 0 HB2 ALA A 91 42.681 23.575 -25.517 1.00 33.33 H new ATOM 0 HB3 ALA A 91 43.943 24.712 -24.986 1.00 33.33 H new ATOM 1392 N MET A 92 44.800 25.572 -28.739 1.00 14.35 N ATOM 1393 CA MET A 92 45.564 26.656 -29.341 1.00 13.21 C ATOM 1394 C MET A 92 44.731 27.928 -29.373 1.00 25.02 C ATOM 1395 O MET A 92 43.532 27.887 -29.120 1.00 71.52 O ATOM 1396 CB MET A 92 46.008 26.264 -30.751 1.00 64.53 C ATOM 1397 CG MET A 92 46.889 25.022 -30.777 1.00 30.25 C ATOM 1398 SD MET A 92 47.304 24.478 -32.446 1.00 45.45 S ATOM 1399 CE MET A 92 48.360 23.077 -32.076 1.00 51.31 C ATOM 0 H MET A 92 44.118 25.141 -29.363 1.00 14.35 H new ATOM 0 HA MET A 92 46.453 26.843 -28.739 1.00 13.21 H new ATOM 0 HB2 MET A 92 45.126 26.090 -31.368 1.00 64.53 H new ATOM 0 HB3 MET A 92 46.551 27.096 -31.199 1.00 64.53 H new ATOM 0 HG2 MET A 92 47.809 25.226 -30.229 1.00 30.25 H new ATOM 0 HG3 MET A 92 46.380 24.212 -30.254 1.00 30.25 H new ATOM 0 HE1 MET A 92 48.704 22.625 -33.006 1.00 51.31 H new ATOM 0 HE2 MET A 92 49.220 23.413 -31.496 1.00 51.31 H new ATOM 0 HE3 MET A 92 47.799 22.341 -31.500 1.00 51.31 H new ATOM 1409 N VAL A 93 45.358 29.055 -29.680 1.00 70.32 N ATOM 1410 CA VAL A 93 44.663 30.336 -29.651 1.00 3.20 C ATOM 1411 C VAL A 93 43.614 30.424 -30.759 1.00 75.10 C ATOM 1412 O VAL A 93 43.943 30.638 -31.924 1.00 71.31 O ATOM 1413 CB VAL A 93 45.639 31.524 -29.775 1.00 52.22 C ATOM 1414 CG1 VAL A 93 44.897 32.841 -29.606 1.00 3.43 C ATOM 1415 CG2 VAL A 93 46.765 31.407 -28.758 1.00 10.04 C ATOM 0 H VAL A 93 46.340 29.110 -29.950 1.00 70.32 H new ATOM 0 HA VAL A 93 44.166 30.396 -28.683 1.00 3.20 H new ATOM 0 HB VAL A 93 46.080 31.502 -30.771 1.00 52.22 H new ATOM 0 HG11 VAL A 93 45.600 33.669 -29.696 1.00 3.43 H new ATOM 0 HG12 VAL A 93 44.132 32.929 -30.377 1.00 3.43 H new ATOM 0 HG13 VAL A 93 44.427 32.870 -28.623 1.00 3.43 H new ATOM 0 HG21 VAL A 93 47.441 32.256 -28.864 1.00 10.04 H new ATOM 0 HG22 VAL A 93 46.347 31.400 -27.751 1.00 10.04 H new ATOM 0 HG23 VAL A 93 47.315 30.482 -28.929 1.00 10.04 H new ATOM 1425 N GLN A 94 42.355 30.224 -30.370 1.00 13.31 N ATOM 1426 CA GLN A 94 41.204 30.338 -31.269 1.00 14.42 C ATOM 1427 C GLN A 94 41.229 29.286 -32.376 1.00 61.22 C ATOM 1428 O GLN A 94 42.190 28.530 -32.518 1.00 71.22 O ATOM 1429 CB GLN A 94 41.131 31.746 -31.858 1.00 11.34 C ATOM 1430 CG GLN A 94 40.816 32.818 -30.829 1.00 20.20 C ATOM 1431 CD GLN A 94 41.119 34.216 -31.326 1.00 32.33 C ATOM 1432 OE1 GLN A 94 42.226 34.719 -31.145 1.00 74.30 O ATOM 1433 NE2 GLN A 94 40.145 34.854 -31.950 1.00 24.31 N ATOM 0 H GLN A 94 42.102 29.976 -29.414 1.00 13.31 H new ATOM 0 HA GLN A 94 40.307 30.154 -30.678 1.00 14.42 H new ATOM 0 HB2 GLN A 94 42.082 31.981 -32.336 1.00 11.34 H new ATOM 0 HB3 GLN A 94 40.369 31.766 -32.637 1.00 11.34 H new ATOM 0 HG2 GLN A 94 39.763 32.755 -30.556 1.00 20.20 H new ATOM 0 HG3 GLN A 94 41.392 32.626 -29.924 1.00 20.20 H new ATOM 0 HE21 GLN A 94 39.240 34.401 -32.080 1.00 24.31 H new ATOM 0 HE22 GLN A 94 40.298 35.799 -32.302 1.00 24.31 H new ATOM 1442 N GLN A 95 40.159 29.238 -33.154 1.00 34.52 N ATOM 1443 CA GLN A 95 40.013 28.228 -34.195 1.00 22.53 C ATOM 1444 C GLN A 95 40.935 28.496 -35.384 1.00 42.03 C ATOM 1445 O GLN A 95 41.529 27.573 -35.935 1.00 14.34 O ATOM 1446 CB GLN A 95 38.555 28.156 -34.658 1.00 2.31 C ATOM 1447 CG GLN A 95 37.975 29.502 -35.055 1.00 62.01 C ATOM 1448 CD GLN A 95 36.524 29.412 -35.471 1.00 41.23 C ATOM 1449 OE1 GLN A 95 35.626 29.514 -34.639 1.00 74.20 O ATOM 1450 NE2 GLN A 95 36.282 29.242 -36.761 1.00 40.12 N ATOM 0 H GLN A 95 39.376 29.888 -33.085 1.00 34.52 H new ATOM 0 HA GLN A 95 40.303 27.269 -33.767 1.00 22.53 H new ATOM 0 HB2 GLN A 95 38.485 27.475 -35.507 1.00 2.31 H new ATOM 0 HB3 GLN A 95 37.949 27.731 -33.858 1.00 2.31 H new ATOM 0 HG2 GLN A 95 38.066 30.194 -34.218 1.00 62.01 H new ATOM 0 HG3 GLN A 95 38.559 29.917 -35.876 1.00 62.01 H new ATOM 0 HE21 GLN A 95 37.057 29.162 -37.419 1.00 40.12 H new ATOM 0 HE22 GLN A 95 35.320 29.191 -37.097 1.00 40.12 H new ATOM 1459 N THR A 96 41.072 29.755 -35.769 1.00 34.55 N ATOM 1460 CA THR A 96 41.868 30.103 -36.938 1.00 5.31 C ATOM 1461 C THR A 96 43.170 30.787 -36.524 1.00 54.43 C ATOM 1462 O THR A 96 43.906 31.313 -37.357 1.00 61.12 O ATOM 1463 CB THR A 96 41.077 31.037 -37.875 1.00 14.02 C ATOM 1464 OG1 THR A 96 39.676 30.740 -37.781 1.00 42.43 O ATOM 1465 CG2 THR A 96 41.532 30.878 -39.322 1.00 34.20 C ATOM 0 H THR A 96 40.645 30.550 -35.293 1.00 34.55 H new ATOM 0 HA THR A 96 42.103 29.179 -37.466 1.00 5.31 H new ATOM 0 HB THR A 96 41.262 32.066 -37.566 1.00 14.02 H new ATOM 0 HG1 THR A 96 39.175 31.336 -38.376 1.00 42.43 H new ATOM 0 HG21 THR A 96 40.957 31.549 -39.960 1.00 34.20 H new ATOM 0 HG22 THR A 96 42.591 31.123 -39.399 1.00 34.20 H new ATOM 0 HG23 THR A 96 41.374 29.848 -39.642 1.00 34.20 H new ATOM 1473 N GLY A 97 43.455 30.768 -35.229 1.00 10.25 N ATOM 1474 CA GLY A 97 44.619 31.468 -34.715 1.00 53.25 C ATOM 1475 C GLY A 97 44.288 32.906 -34.369 1.00 21.24 C ATOM 1476 O GLY A 97 45.051 33.591 -33.690 1.00 2.44 O ATOM 0 H GLY A 97 42.902 30.281 -34.524 1.00 10.25 H new ATOM 0 HA2 GLY A 97 44.993 30.955 -33.829 1.00 53.25 H new ATOM 0 HA3 GLY A 97 45.417 31.445 -35.457 1.00 53.25 H new ATOM 1480 N GLY A 98 43.135 33.351 -34.841 1.00 22.14 N ATOM 1481 CA GLY A 98 42.679 34.694 -34.583 1.00 25.22 C ATOM 1482 C GLY A 98 41.355 34.940 -35.263 1.00 14.50 C ATOM 1483 O GLY A 98 40.564 35.772 -34.775 1.00 31.30 O ATOM 1484 OXT GLY A 98 41.093 34.275 -36.290 1.00 0.00 O1- ATOM 0 H GLY A 98 42.498 32.792 -35.408 1.00 22.14 H new ATOM 0 HA2 GLY A 98 42.578 34.850 -33.509 1.00 25.22 H new ATOM 0 HA3 GLY A 98 43.418 35.411 -34.941 1.00 25.22 H new TER 1488 GLY A 98