USER MOD reduce.3.24.130724 H: found=0, std=0, add=1213, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 1209 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 138 GLN : amide:sc= 0.67 K(o=1.4,f=-0.16) USER MOD Set 1.2: A 142 ASN : amide:sc= 0.718 K(o=1.4,f=-0.39) USER MOD Set 2.1: A 74 GLN : amide:sc= 0.699 K(o=1.1,f=-6.8!) USER MOD Set 2.2: A 98 TYR OH : rot 180:sc= 0.355 USER MOD Set 3.1: A 55 THR OG1 : rot 180:sc= 0.759 USER MOD Set 3.2: A 58 LYS NZ :NH3+ -166:sc= 0.866 (180deg=0) USER MOD Set 4.1: A 40 THR OG1 : rot 180:sc= 0 USER MOD Set 4.2: A 129 TYR OH : rot -23:sc= 1.27 USER MOD Set 5.1: A 21 THR OG1 : rot 15:sc= 1.21 USER MOD Set 5.2: A 22 SER OG : rot 146:sc= 1.25 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 THR OG1 : rot 180:sc= 0 USER MOD Single : A 7 THR OG1 : rot 180:sc= 0.0871 USER MOD Single : A 8 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 15 SER OG : rot 180:sc= 0 USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 27 GLN : amide:sc= 0.479 K(o=0.48,f=-8.4!) USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 29 THR OG1 : rot -42:sc= 0.0081 USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 37 THR OG1 : rot -67:sc= 0.434 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0.00918 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot -150:sc= 0 USER MOD Single : A 67 MET CE :methyl 176:sc= 0 (180deg=-0.0168) USER MOD Single : A 68 LYS NZ :NH3+ 154:sc= 0.887 (180deg=-0.415) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot -11:sc= 0.374 USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= -0.285 K(o=-0.29,f=-1.8) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 HIS : no HD1:sc= -0.297 X(o=-0.3,f=-0.073) USER MOD Single : A 92 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00344) USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= -1.19 K(o=-1.2,f=-2.2!) USER MOD Single : A 116 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.0014) USER MOD Single : A 118 TYR OH : rot 79:sc= 0.00197 USER MOD Single : A 122 CYS SG : rot 147:sc= 0.182 USER MOD Single : A 123 TYR OH : rot 180:sc= 0 USER MOD Single : A 124 THR OG1 : rot 180:sc= 0.0897 USER MOD Single : A 127 TYR OH : rot 30:sc= -0.792 USER MOD Single : A 137 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 139 THR OG1 : rot 180:sc= 0.0457 USER MOD Single : A 141 GLN : amide:sc= -0.0306 X(o=-0.031,f=-0.49) USER MOD Single : A 144 LYS NZ :NH3+ -156:sc=-0.00805 (180deg=-0.248) USER MOD Single : A 147 ASN : amide:sc= 1.05 K(o=1.1,f=-9.2!) USER MOD Single : A 151 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 154 HIS : no HD1:sc= -0.0676 X(o=-0.068,f=-0.0007) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -21.037 -7.955 15.077 1.00 4.21 N ATOM 2 CA GLY A 1 -20.305 -8.196 13.831 1.00 24.23 C ATOM 3 C GLY A 1 -21.094 -9.143 12.957 1.00 71.02 C ATOM 4 O GLY A 1 -21.188 -10.325 13.293 1.00 74.03 O ATOM 0 H1 GLY A 1 -20.494 -7.303 15.678 1.00 4.21 H new ATOM 0 H2 GLY A 1 -21.963 -7.535 14.860 1.00 4.21 H new ATOM 0 H3 GLY A 1 -21.174 -8.856 15.579 1.00 4.21 H new ATOM 0 HA2 GLY A 1 -20.138 -7.255 13.307 1.00 24.23 H new ATOM 0 HA3 GLY A 1 -19.324 -8.618 14.049 1.00 24.23 H new ATOM 8 N ASP A 2 -21.662 -8.662 11.849 1.00 23.12 N ATOM 9 CA ASP A 2 -22.473 -9.478 10.938 1.00 63.04 C ATOM 10 C ASP A 2 -22.161 -9.125 9.474 1.00 73.05 C ATOM 11 O ASP A 2 -21.351 -8.227 9.224 1.00 53.45 O ATOM 12 CB ASP A 2 -23.959 -9.311 11.300 1.00 62.23 C ATOM 13 CG ASP A 2 -24.877 -10.253 10.513 1.00 44.22 C ATOM 14 OD1 ASP A 2 -24.413 -11.354 10.141 1.00 23.02 O ATOM 15 OD2 ASP A 2 -26.021 -9.843 10.212 1.00 2.33 O ATOM 0 H ASP A 2 -21.573 -7.689 11.555 1.00 23.12 H new ATOM 0 HA ASP A 2 -22.225 -10.533 11.051 1.00 63.04 H new ATOM 0 HB2 ASP A 2 -24.090 -9.493 12.367 1.00 62.23 H new ATOM 0 HB3 ASP A 2 -24.259 -8.280 11.113 1.00 62.23 H new ATOM 20 N SER A 3 -22.737 -9.846 8.509 1.00 10.22 N ATOM 21 CA SER A 3 -22.614 -9.626 7.077 1.00 10.42 C ATOM 22 C SER A 3 -23.247 -8.302 6.641 1.00 30.22 C ATOM 23 O SER A 3 -24.126 -7.753 7.311 1.00 33.21 O ATOM 24 CB SER A 3 -23.348 -10.750 6.341 1.00 50.13 C ATOM 25 OG SER A 3 -22.803 -12.034 6.597 1.00 50.44 O ATOM 0 H SER A 3 -23.335 -10.644 8.725 1.00 10.22 H new ATOM 0 HA SER A 3 -21.551 -9.604 6.838 1.00 10.42 H new ATOM 0 HB2 SER A 3 -24.398 -10.743 6.634 1.00 50.13 H new ATOM 0 HB3 SER A 3 -23.315 -10.556 5.269 1.00 50.13 H new ATOM 0 HG SER A 3 -23.312 -12.710 6.103 1.00 50.44 H new ATOM 31 N GLU A 4 -22.918 -7.884 5.424 1.00 73.11 N ATOM 32 CA GLU A 4 -23.688 -6.934 4.641 1.00 74.31 C ATOM 33 C GLU A 4 -23.856 -7.526 3.246 1.00 21.13 C ATOM 34 O GLU A 4 -23.115 -8.447 2.883 1.00 73.12 O ATOM 35 CB GLU A 4 -22.959 -5.588 4.555 1.00 41.15 C ATOM 36 CG GLU A 4 -22.880 -4.829 5.878 1.00 32.00 C ATOM 37 CD GLU A 4 -22.393 -3.396 5.654 1.00 70.14 C ATOM 38 OE1 GLU A 4 -21.526 -3.177 4.769 1.00 41.31 O ATOM 39 OE2 GLU A 4 -22.959 -2.492 6.313 1.00 70.02 O ATOM 0 H GLU A 4 -22.080 -8.210 4.943 1.00 73.11 H new ATOM 0 HA GLU A 4 -24.657 -6.756 5.108 1.00 74.31 H new ATOM 0 HB2 GLU A 4 -21.947 -5.759 4.187 1.00 41.15 H new ATOM 0 HB3 GLU A 4 -23.464 -4.961 3.820 1.00 41.15 H new ATOM 0 HG2 GLU A 4 -23.861 -4.814 6.353 1.00 32.00 H new ATOM 0 HG3 GLU A 4 -22.204 -5.346 6.559 1.00 32.00 H new ATOM 46 N LEU A 5 -24.772 -6.968 2.454 1.00 11.31 N ATOM 47 CA LEU A 5 -24.980 -7.376 1.069 1.00 74.45 C ATOM 48 C LEU A 5 -23.736 -7.037 0.233 1.00 21.13 C ATOM 49 O LEU A 5 -22.956 -6.157 0.611 1.00 23.30 O ATOM 50 CB LEU A 5 -26.237 -6.666 0.526 1.00 42.33 C ATOM 51 CG LEU A 5 -26.941 -7.439 -0.606 1.00 54.22 C ATOM 52 CD1 LEU A 5 -27.717 -8.644 -0.058 1.00 34.45 C ATOM 53 CD2 LEU A 5 -27.917 -6.514 -1.342 1.00 25.41 C ATOM 0 H LEU A 5 -25.392 -6.217 2.759 1.00 11.31 H new ATOM 0 HA LEU A 5 -25.134 -8.453 1.009 1.00 74.45 H new ATOM 0 HB2 LEU A 5 -26.941 -6.515 1.344 1.00 42.33 H new ATOM 0 HB3 LEU A 5 -25.957 -5.678 0.161 1.00 42.33 H new ATOM 0 HG LEU A 5 -26.173 -7.797 -1.291 1.00 54.22 H new ATOM 0 HD11 LEU A 5 -28.203 -9.169 -0.881 1.00 34.45 H new ATOM 0 HD12 LEU A 5 -27.028 -9.321 0.448 1.00 34.45 H new ATOM 0 HD13 LEU A 5 -28.472 -8.300 0.649 1.00 34.45 H new ATOM 0 HD21 LEU A 5 -28.411 -7.068 -2.141 1.00 25.41 H new ATOM 0 HD22 LEU A 5 -28.665 -6.143 -0.641 1.00 25.41 H new ATOM 0 HD23 LEU A 5 -27.370 -5.673 -1.768 1.00 25.41 H new ATOM 65 N THR A 6 -23.555 -7.679 -0.922 1.00 1.21 N ATOM 66 CA THR A 6 -22.445 -7.408 -1.838 1.00 34.30 C ATOM 67 C THR A 6 -22.946 -7.088 -3.247 1.00 63.32 C ATOM 68 O THR A 6 -22.125 -6.941 -4.156 1.00 62.11 O ATOM 69 CB THR A 6 -21.413 -8.550 -1.802 1.00 43.52 C ATOM 70 OG1 THR A 6 -22.009 -9.789 -2.139 1.00 11.54 O ATOM 71 CG2 THR A 6 -20.757 -8.666 -0.426 1.00 43.14 C ATOM 0 H THR A 6 -24.183 -8.412 -1.252 1.00 1.21 H new ATOM 0 HA THR A 6 -21.926 -6.512 -1.498 1.00 34.30 H new ATOM 0 HB THR A 6 -20.648 -8.308 -2.540 1.00 43.52 H new ATOM 0 HG1 THR A 6 -21.331 -10.496 -2.110 1.00 11.54 H new ATOM 0 HG21 THR A 6 -20.034 -9.482 -0.435 1.00 43.14 H new ATOM 0 HG22 THR A 6 -20.248 -7.733 -0.186 1.00 43.14 H new ATOM 0 HG23 THR A 6 -21.521 -8.867 0.325 1.00 43.14 H new ATOM 79 N THR A 7 -24.270 -6.935 -3.406 1.00 55.11 N ATOM 80 CA THR A 7 -24.976 -6.527 -4.619 1.00 60.13 C ATOM 81 C THR A 7 -24.500 -7.352 -5.837 1.00 32.22 C ATOM 82 O THR A 7 -23.951 -8.450 -5.668 1.00 33.43 O ATOM 83 CB THR A 7 -24.964 -4.975 -4.692 1.00 30.11 C ATOM 84 OG1 THR A 7 -25.685 -4.437 -5.780 1.00 20.34 O ATOM 85 CG2 THR A 7 -23.566 -4.356 -4.713 1.00 14.40 C ATOM 0 H THR A 7 -24.915 -7.106 -2.634 1.00 55.11 H new ATOM 0 HA THR A 7 -26.038 -6.774 -4.613 1.00 60.13 H new ATOM 0 HB THR A 7 -25.464 -4.706 -3.761 1.00 30.11 H new ATOM 0 HG1 THR A 7 -25.632 -3.459 -5.756 1.00 20.34 H new ATOM 0 HG21 THR A 7 -23.649 -3.270 -4.765 1.00 14.40 H new ATOM 0 HG22 THR A 7 -23.030 -4.636 -3.806 1.00 14.40 H new ATOM 0 HG23 THR A 7 -23.020 -4.720 -5.584 1.00 14.40 H new ATOM 93 N GLN A 8 -24.796 -6.927 -7.065 1.00 2.11 N ATOM 94 CA GLN A 8 -24.346 -7.626 -8.269 1.00 0.13 C ATOM 95 C GLN A 8 -23.947 -6.656 -9.387 1.00 0.14 C ATOM 96 O GLN A 8 -23.960 -7.036 -10.560 1.00 54.14 O ATOM 97 CB GLN A 8 -25.356 -8.713 -8.688 1.00 0.51 C ATOM 98 CG GLN A 8 -26.753 -8.207 -9.061 1.00 34.23 C ATOM 99 CD GLN A 8 -27.624 -9.365 -9.550 1.00 44.52 C ATOM 100 OE1 GLN A 8 -27.971 -10.267 -8.794 1.00 24.10 O ATOM 101 NE2 GLN A 8 -27.969 -9.407 -10.831 1.00 3.22 N ATOM 0 H GLN A 8 -25.352 -6.093 -7.253 1.00 2.11 H new ATOM 0 HA GLN A 8 -23.424 -8.158 -8.035 1.00 0.13 H new ATOM 0 HB2 GLN A 8 -24.946 -9.256 -9.539 1.00 0.51 H new ATOM 0 HB3 GLN A 8 -25.454 -9.428 -7.871 1.00 0.51 H new ATOM 0 HG2 GLN A 8 -27.218 -7.733 -8.197 1.00 34.23 H new ATOM 0 HG3 GLN A 8 -26.676 -7.447 -9.839 1.00 34.23 H new ATOM 0 HE21 GLN A 8 -27.682 -8.658 -11.461 1.00 3.22 H new ATOM 0 HE22 GLN A 8 -28.521 -10.188 -11.185 1.00 3.22 H new ATOM 110 N ASP A 9 -23.578 -5.417 -9.041 1.00 60.24 N ATOM 111 CA ASP A 9 -23.083 -4.401 -9.982 1.00 34.20 C ATOM 112 C ASP A 9 -21.734 -3.833 -9.517 1.00 63.13 C ATOM 113 O ASP A 9 -21.375 -2.686 -9.791 1.00 31.02 O ATOM 114 CB ASP A 9 -24.147 -3.325 -10.249 1.00 60.22 C ATOM 115 CG ASP A 9 -24.112 -2.890 -11.718 1.00 1.25 C ATOM 116 OD1 ASP A 9 -23.160 -2.204 -12.162 1.00 32.24 O ATOM 117 OD2 ASP A 9 -25.070 -3.233 -12.446 1.00 23.25 O ATOM 0 H ASP A 9 -23.616 -5.084 -8.078 1.00 60.24 H new ATOM 0 HA ASP A 9 -22.894 -4.876 -10.945 1.00 34.20 H new ATOM 0 HB2 ASP A 9 -25.135 -3.713 -10.002 1.00 60.22 H new ATOM 0 HB3 ASP A 9 -23.972 -2.464 -9.604 1.00 60.22 H new ATOM 122 N GLY A 10 -20.975 -4.638 -8.770 1.00 11.51 N ATOM 123 CA GLY A 10 -19.685 -4.285 -8.205 1.00 75.05 C ATOM 124 C GLY A 10 -19.837 -3.953 -6.728 1.00 21.01 C ATOM 125 O GLY A 10 -20.814 -3.326 -6.311 1.00 51.32 O ATOM 0 H GLY A 10 -21.260 -5.589 -8.537 1.00 11.51 H new ATOM 0 HA2 GLY A 10 -18.985 -5.111 -8.330 1.00 75.05 H new ATOM 0 HA3 GLY A 10 -19.267 -3.430 -8.737 1.00 75.05 H new ATOM 129 N GLU A 11 -18.853 -4.369 -5.942 1.00 14.12 N ATOM 130 CA GLU A 11 -18.762 -4.091 -4.520 1.00 25.24 C ATOM 131 C GLU A 11 -18.385 -2.617 -4.282 1.00 3.54 C ATOM 132 O GLU A 11 -18.115 -1.876 -5.230 1.00 62.01 O ATOM 133 CB GLU A 11 -17.712 -5.059 -3.960 1.00 12.20 C ATOM 134 CG GLU A 11 -17.893 -5.340 -2.481 1.00 63.44 C ATOM 135 CD GLU A 11 -16.998 -6.486 -2.035 1.00 32.11 C ATOM 136 OE1 GLU A 11 -15.765 -6.406 -2.255 1.00 14.54 O ATOM 137 OE2 GLU A 11 -17.478 -7.418 -1.351 1.00 32.43 O ATOM 0 H GLU A 11 -18.073 -4.927 -6.290 1.00 14.12 H new ATOM 0 HA GLU A 11 -19.716 -4.239 -4.014 1.00 25.24 H new ATOM 0 HB2 GLU A 11 -17.761 -5.998 -4.511 1.00 12.20 H new ATOM 0 HB3 GLU A 11 -16.718 -4.644 -4.126 1.00 12.20 H new ATOM 0 HG2 GLU A 11 -17.659 -4.445 -1.905 1.00 63.44 H new ATOM 0 HG3 GLU A 11 -18.935 -5.586 -2.278 1.00 63.44 H new ATOM 144 N ASP A 12 -18.320 -2.177 -3.021 1.00 4.31 N ATOM 145 CA ASP A 12 -18.059 -0.780 -2.669 1.00 12.50 C ATOM 146 C ASP A 12 -16.613 -0.526 -2.238 1.00 62.34 C ATOM 147 O ASP A 12 -15.954 -1.414 -1.685 1.00 3.12 O ATOM 148 CB ASP A 12 -18.984 -0.336 -1.538 1.00 45.25 C ATOM 149 CG ASP A 12 -19.086 1.177 -1.593 1.00 5.44 C ATOM 150 OD1 ASP A 12 -19.867 1.669 -2.441 1.00 13.14 O ATOM 151 OD2 ASP A 12 -18.305 1.835 -0.878 1.00 30.10 O ATOM 0 H ASP A 12 -18.448 -2.785 -2.212 1.00 4.31 H new ATOM 0 HA ASP A 12 -18.246 -0.204 -3.575 1.00 12.50 H new ATOM 0 HB2 ASP A 12 -19.969 -0.790 -1.649 1.00 45.25 H new ATOM 0 HB3 ASP A 12 -18.591 -0.658 -0.574 1.00 45.25 H new ATOM 156 N PHE A 13 -16.135 0.706 -2.429 1.00 4.31 N ATOM 157 CA PHE A 13 -14.806 1.136 -2.015 1.00 3.30 C ATOM 158 C PHE A 13 -14.653 1.202 -0.491 1.00 72.34 C ATOM 159 O PHE A 13 -13.540 1.084 0.015 1.00 5.50 O ATOM 160 CB PHE A 13 -14.455 2.492 -2.639 1.00 54.31 C ATOM 161 CG PHE A 13 -15.507 3.581 -2.524 1.00 22.30 C ATOM 162 CD1 PHE A 13 -15.631 4.327 -1.336 1.00 1.32 C ATOM 163 CD2 PHE A 13 -16.361 3.851 -3.612 1.00 10.53 C ATOM 164 CE1 PHE A 13 -16.620 5.319 -1.228 1.00 72.04 C ATOM 165 CE2 PHE A 13 -17.344 4.850 -3.505 1.00 51.52 C ATOM 166 CZ PHE A 13 -17.474 5.584 -2.312 1.00 34.41 C ATOM 0 H PHE A 13 -16.674 1.443 -2.884 1.00 4.31 H new ATOM 0 HA PHE A 13 -14.109 0.380 -2.377 1.00 3.30 H new ATOM 0 HB2 PHE A 13 -13.537 2.854 -2.176 1.00 54.31 H new ATOM 0 HB3 PHE A 13 -14.239 2.336 -3.696 1.00 54.31 H new ATOM 0 HD1 PHE A 13 -14.965 4.136 -0.507 1.00 1.32 H new ATOM 0 HD2 PHE A 13 -16.260 3.290 -4.529 1.00 10.53 H new ATOM 0 HE1 PHE A 13 -16.724 5.879 -0.310 1.00 72.04 H new ATOM 0 HE2 PHE A 13 -17.999 5.054 -4.339 1.00 51.52 H new ATOM 0 HZ PHE A 13 -18.230 6.351 -2.229 1.00 34.41 H new ATOM 176 N LYS A 14 -15.734 1.388 0.264 1.00 2.52 N ATOM 177 CA LYS A 14 -15.726 1.248 1.722 1.00 13.42 C ATOM 178 C LYS A 14 -15.793 -0.227 2.101 1.00 42.54 C ATOM 179 O LYS A 14 -15.048 -0.634 2.988 1.00 13.44 O ATOM 180 CB LYS A 14 -16.864 2.063 2.377 1.00 22.30 C ATOM 181 CG LYS A 14 -16.357 3.004 3.487 1.00 30.01 C ATOM 182 CD LYS A 14 -15.721 2.286 4.692 1.00 72.35 C ATOM 183 CE LYS A 14 -15.243 3.305 5.739 1.00 12.50 C ATOM 184 NZ LYS A 14 -14.836 2.665 7.009 1.00 42.31 N ATOM 0 H LYS A 14 -16.645 1.641 -0.118 1.00 2.52 H new ATOM 0 HA LYS A 14 -14.792 1.658 2.106 1.00 13.42 H new ATOM 0 HB2 LYS A 14 -17.372 2.650 1.612 1.00 22.30 H new ATOM 0 HB3 LYS A 14 -17.602 1.378 2.795 1.00 22.30 H new ATOM 0 HG2 LYS A 14 -15.624 3.688 3.059 1.00 30.01 H new ATOM 0 HG3 LYS A 14 -17.191 3.611 3.840 1.00 30.01 H new ATOM 0 HD2 LYS A 14 -16.446 1.607 5.142 1.00 72.35 H new ATOM 0 HD3 LYS A 14 -14.880 1.678 4.358 1.00 72.35 H new ATOM 0 HE2 LYS A 14 -14.403 3.869 5.335 1.00 12.50 H new ATOM 0 HE3 LYS A 14 -16.042 4.020 5.936 1.00 12.50 H new ATOM 0 HZ1 LYS A 14 -14.522 3.395 7.681 1.00 42.31 H new ATOM 0 HZ2 LYS A 14 -15.644 2.148 7.412 1.00 42.31 H new ATOM 0 HZ3 LYS A 14 -14.055 2.002 6.829 1.00 42.31 H new ATOM 198 N SER A 15 -16.611 -1.020 1.394 1.00 21.32 N ATOM 199 CA SER A 15 -16.780 -2.450 1.645 1.00 10.40 C ATOM 200 C SER A 15 -15.408 -3.113 1.728 1.00 11.30 C ATOM 201 O SER A 15 -15.055 -3.657 2.770 1.00 3.24 O ATOM 202 CB SER A 15 -17.635 -3.119 0.553 1.00 23.02 C ATOM 203 OG SER A 15 -17.976 -4.449 0.895 1.00 52.13 O ATOM 0 H SER A 15 -17.180 -0.676 0.621 1.00 21.32 H new ATOM 0 HA SER A 15 -17.306 -2.575 2.591 1.00 10.40 H new ATOM 0 HB2 SER A 15 -18.545 -2.539 0.397 1.00 23.02 H new ATOM 0 HB3 SER A 15 -17.089 -3.115 -0.390 1.00 23.02 H new ATOM 0 HG SER A 15 -18.520 -4.841 0.180 1.00 52.13 H new ATOM 209 N PHE A 16 -14.618 -3.071 0.647 1.00 42.32 N ATOM 210 CA PHE A 16 -13.366 -3.823 0.642 1.00 62.14 C ATOM 211 C PHE A 16 -12.339 -3.238 1.604 1.00 54.35 C ATOM 212 O PHE A 16 -11.491 -3.994 2.083 1.00 52.53 O ATOM 213 CB PHE A 16 -12.796 -3.988 -0.769 1.00 63.22 C ATOM 214 CG PHE A 16 -11.860 -2.888 -1.237 1.00 51.14 C ATOM 215 CD1 PHE A 16 -12.342 -1.581 -1.432 1.00 30.14 C ATOM 216 CD2 PHE A 16 -10.508 -3.178 -1.509 1.00 13.33 C ATOM 217 CE1 PHE A 16 -11.477 -0.565 -1.873 1.00 63.05 C ATOM 218 CE2 PHE A 16 -9.652 -2.166 -1.976 1.00 31.13 C ATOM 219 CZ PHE A 16 -10.131 -0.858 -2.139 1.00 42.43 C ATOM 0 H PHE A 16 -14.816 -2.544 -0.204 1.00 42.32 H new ATOM 0 HA PHE A 16 -13.605 -4.823 1.005 1.00 62.14 H new ATOM 0 HB2 PHE A 16 -12.262 -4.937 -0.816 1.00 63.22 H new ATOM 0 HB3 PHE A 16 -13.627 -4.054 -1.471 1.00 63.22 H new ATOM 0 HD1 PHE A 16 -13.381 -1.357 -1.242 1.00 30.14 H new ATOM 0 HD2 PHE A 16 -10.130 -4.178 -1.359 1.00 13.33 H new ATOM 0 HE1 PHE A 16 -11.848 0.440 -2.007 1.00 63.05 H new ATOM 0 HE2 PHE A 16 -8.623 -2.396 -2.210 1.00 31.13 H new ATOM 0 HZ PHE A 16 -9.463 -0.076 -2.469 1.00 42.43 H new ATOM 229 N LEU A 17 -12.433 -1.935 1.910 1.00 41.22 N ATOM 230 CA LEU A 17 -11.505 -1.295 2.831 1.00 13.34 C ATOM 231 C LEU A 17 -11.601 -1.980 4.193 1.00 3.14 C ATOM 232 O LEU A 17 -10.563 -2.273 4.774 1.00 30.30 O ATOM 233 CB LEU A 17 -11.774 0.220 2.904 1.00 12.52 C ATOM 234 CG LEU A 17 -10.582 1.117 3.298 1.00 42.14 C ATOM 235 CD1 LEU A 17 -10.014 0.827 4.685 1.00 4.41 C ATOM 236 CD2 LEU A 17 -9.444 1.060 2.268 1.00 54.33 C ATOM 0 H LEU A 17 -13.145 -1.311 1.529 1.00 41.22 H new ATOM 0 HA LEU A 17 -10.482 -1.407 2.473 1.00 13.34 H new ATOM 0 HB2 LEU A 17 -12.140 0.548 1.931 1.00 12.52 H new ATOM 0 HB3 LEU A 17 -12.578 0.389 3.620 1.00 12.52 H new ATOM 0 HG LEU A 17 -11.005 2.121 3.320 1.00 42.14 H new ATOM 0 HD11 LEU A 17 -9.180 1.500 4.885 1.00 4.41 H new ATOM 0 HD12 LEU A 17 -10.790 0.979 5.435 1.00 4.41 H new ATOM 0 HD13 LEU A 17 -9.666 -0.205 4.727 1.00 4.41 H new ATOM 0 HD21 LEU A 17 -8.629 1.708 2.590 1.00 54.33 H new ATOM 0 HD22 LEU A 17 -9.081 0.036 2.183 1.00 54.33 H new ATOM 0 HD23 LEU A 17 -9.813 1.396 1.299 1.00 54.33 H new ATOM 248 N ASP A 18 -12.812 -2.330 4.658 1.00 25.00 N ATOM 249 CA ASP A 18 -13.009 -3.131 5.874 1.00 41.44 C ATOM 250 C ASP A 18 -12.136 -4.375 5.866 1.00 70.04 C ATOM 251 O ASP A 18 -11.243 -4.486 6.695 1.00 63.42 O ATOM 252 CB ASP A 18 -14.463 -3.562 6.072 1.00 4.54 C ATOM 253 CG ASP A 18 -14.598 -4.597 7.194 1.00 2.52 C ATOM 254 OD1 ASP A 18 -14.071 -4.399 8.315 1.00 74.14 O ATOM 255 OD2 ASP A 18 -15.321 -5.591 6.957 1.00 72.34 O ATOM 0 H ASP A 18 -13.683 -2.064 4.199 1.00 25.00 H new ATOM 0 HA ASP A 18 -12.725 -2.479 6.700 1.00 41.44 H new ATOM 0 HB2 ASP A 18 -15.073 -2.689 6.306 1.00 4.54 H new ATOM 0 HB3 ASP A 18 -14.849 -3.980 5.142 1.00 4.54 H new ATOM 260 N LYS A 19 -12.361 -5.320 4.952 1.00 73.23 N ATOM 261 CA LYS A 19 -11.658 -6.587 4.969 1.00 65.22 C ATOM 262 C LYS A 19 -10.166 -6.414 4.732 1.00 44.25 C ATOM 263 O LYS A 19 -9.383 -7.229 5.206 1.00 63.24 O ATOM 264 CB LYS A 19 -12.280 -7.513 3.931 1.00 24.30 C ATOM 265 CG LYS A 19 -13.766 -7.751 4.213 1.00 10.43 C ATOM 266 CD LYS A 19 -14.688 -6.949 3.300 1.00 62.45 C ATOM 267 CE LYS A 19 -16.097 -6.838 3.882 1.00 54.21 C ATOM 268 NZ LYS A 19 -16.767 -8.151 3.981 1.00 10.41 N ATOM 0 H LYS A 19 -13.031 -5.223 4.189 1.00 73.23 H new ATOM 0 HA LYS A 19 -11.761 -7.031 5.959 1.00 65.22 H new ATOM 0 HB2 LYS A 19 -12.161 -7.080 2.938 1.00 24.30 H new ATOM 0 HB3 LYS A 19 -11.751 -8.466 3.928 1.00 24.30 H new ATOM 0 HG2 LYS A 19 -13.985 -8.812 4.098 1.00 10.43 H new ATOM 0 HG3 LYS A 19 -13.978 -7.492 5.250 1.00 10.43 H new ATOM 0 HD2 LYS A 19 -14.275 -5.951 3.151 1.00 62.45 H new ATOM 0 HD3 LYS A 19 -14.735 -7.424 2.320 1.00 62.45 H new ATOM 0 HE2 LYS A 19 -16.044 -6.384 4.871 1.00 54.21 H new ATOM 0 HE3 LYS A 19 -16.694 -6.174 3.258 1.00 54.21 H new ATOM 0 HZ1 LYS A 19 -17.719 -8.026 4.381 1.00 10.41 H new ATOM 0 HZ2 LYS A 19 -16.842 -8.575 3.034 1.00 10.41 H new ATOM 0 HZ3 LYS A 19 -16.212 -8.778 4.598 1.00 10.41 H new ATOM 282 N PHE A 20 -9.759 -5.361 4.029 1.00 51.23 N ATOM 283 CA PHE A 20 -8.360 -5.013 3.926 1.00 52.52 C ATOM 284 C PHE A 20 -7.795 -4.587 5.290 1.00 70.45 C ATOM 285 O PHE A 20 -6.680 -4.993 5.622 1.00 74.12 O ATOM 286 CB PHE A 20 -8.193 -3.941 2.850 1.00 51.41 C ATOM 287 CG PHE A 20 -6.783 -3.413 2.783 1.00 2.41 C ATOM 288 CD1 PHE A 20 -5.736 -4.248 2.357 1.00 50.51 C ATOM 289 CD2 PHE A 20 -6.506 -2.109 3.218 1.00 30.33 C ATOM 290 CE1 PHE A 20 -4.409 -3.793 2.405 1.00 63.34 C ATOM 291 CE2 PHE A 20 -5.180 -1.663 3.268 1.00 65.24 C ATOM 292 CZ PHE A 20 -4.124 -2.500 2.869 1.00 65.05 C ATOM 0 H PHE A 20 -10.387 -4.737 3.523 1.00 51.23 H new ATOM 0 HA PHE A 20 -7.780 -5.885 3.625 1.00 52.52 H new ATOM 0 HB2 PHE A 20 -8.470 -4.356 1.881 1.00 51.41 H new ATOM 0 HB3 PHE A 20 -8.878 -3.117 3.051 1.00 51.41 H new ATOM 0 HD1 PHE A 20 -5.953 -5.241 1.992 1.00 50.51 H new ATOM 0 HD2 PHE A 20 -7.311 -1.452 3.513 1.00 30.33 H new ATOM 0 HE1 PHE A 20 -3.606 -4.440 2.084 1.00 63.34 H new ATOM 0 HE2 PHE A 20 -4.966 -0.664 3.617 1.00 65.24 H new ATOM 0 HZ PHE A 20 -3.103 -2.151 2.919 1.00 65.05 H new ATOM 302 N THR A 21 -8.519 -3.796 6.087 1.00 4.50 N ATOM 303 CA THR A 21 -8.083 -3.442 7.436 1.00 62.25 C ATOM 304 C THR A 21 -8.218 -4.612 8.427 1.00 3.24 C ATOM 305 O THR A 21 -7.468 -4.686 9.396 1.00 4.33 O ATOM 306 CB THR A 21 -8.839 -2.206 7.963 1.00 30.13 C ATOM 307 OG1 THR A 21 -10.231 -2.180 7.698 1.00 62.44 O ATOM 308 CG2 THR A 21 -8.250 -0.923 7.376 1.00 21.22 C ATOM 0 H THR A 21 -9.414 -3.388 5.817 1.00 4.50 H new ATOM 0 HA THR A 21 -7.023 -3.199 7.360 1.00 62.25 H new ATOM 0 HB THR A 21 -8.713 -2.272 9.044 1.00 30.13 H new ATOM 0 HG1 THR A 21 -10.530 -3.074 7.430 1.00 62.44 H new ATOM 0 HG21 THR A 21 -8.797 -0.062 7.760 1.00 21.22 H new ATOM 0 HG22 THR A 21 -7.201 -0.842 7.659 1.00 21.22 H new ATOM 0 HG23 THR A 21 -8.332 -0.949 6.289 1.00 21.22 H new ATOM 316 N SER A 22 -9.179 -5.513 8.225 1.00 31.20 N ATOM 317 CA SER A 22 -9.694 -6.414 9.253 1.00 10.50 C ATOM 318 C SER A 22 -9.216 -7.863 9.093 1.00 50.54 C ATOM 319 O SER A 22 -9.594 -8.703 9.909 1.00 74.24 O ATOM 320 CB SER A 22 -11.231 -6.325 9.250 1.00 5.50 C ATOM 321 OG SER A 22 -11.665 -4.994 9.517 1.00 32.21 O ATOM 0 H SER A 22 -9.631 -5.639 7.319 1.00 31.20 H new ATOM 0 HA SER A 22 -9.297 -6.093 10.216 1.00 10.50 H new ATOM 0 HB2 SER A 22 -11.616 -6.650 8.283 1.00 5.50 H new ATOM 0 HB3 SER A 22 -11.640 -7.002 10.000 1.00 5.50 H new ATOM 0 HG SER A 22 -12.487 -4.811 9.016 1.00 32.21 H new ATOM 327 N SER A 23 -8.414 -8.177 8.074 1.00 45.55 N ATOM 328 CA SER A 23 -7.971 -9.532 7.775 1.00 72.44 C ATOM 329 C SER A 23 -6.542 -9.478 7.233 1.00 12.44 C ATOM 330 O SER A 23 -6.241 -8.616 6.407 1.00 21.13 O ATOM 331 CB SER A 23 -8.893 -10.123 6.700 1.00 54.15 C ATOM 332 OG SER A 23 -10.278 -9.966 6.976 1.00 24.04 O ATOM 0 H SER A 23 -8.050 -7.481 7.424 1.00 45.55 H new ATOM 0 HA SER A 23 -8.002 -10.147 8.675 1.00 72.44 H new ATOM 0 HB2 SER A 23 -8.668 -9.651 5.744 1.00 54.15 H new ATOM 0 HB3 SER A 23 -8.673 -11.185 6.591 1.00 54.15 H new ATOM 0 HG SER A 23 -10.803 -10.363 6.250 1.00 24.04 H new ATOM 338 N ALA A 24 -5.675 -10.402 7.647 1.00 42.21 N ATOM 339 CA ALA A 24 -4.346 -10.596 7.085 1.00 5.54 C ATOM 340 C ALA A 24 -4.468 -11.391 5.798 1.00 70.04 C ATOM 341 O ALA A 24 -4.127 -10.915 4.713 1.00 50.34 O ATOM 342 CB ALA A 24 -3.458 -11.379 8.065 1.00 62.31 C ATOM 0 H ALA A 24 -5.887 -11.052 8.404 1.00 42.21 H new ATOM 0 HA ALA A 24 -3.896 -9.622 6.895 1.00 5.54 H new ATOM 0 HB1 ALA A 24 -2.468 -11.515 7.630 1.00 62.31 H new ATOM 0 HB2 ALA A 24 -3.370 -10.824 8.999 1.00 62.31 H new ATOM 0 HB3 ALA A 24 -3.905 -12.353 8.262 1.00 62.31 H new ATOM 348 N ALA A 25 -4.925 -12.642 5.909 1.00 13.42 N ATOM 349 CA ALA A 25 -4.813 -13.614 4.827 1.00 5.22 C ATOM 350 C ALA A 25 -5.687 -13.242 3.619 1.00 73.43 C ATOM 351 O ALA A 25 -5.500 -13.783 2.524 1.00 44.32 O ATOM 352 CB ALA A 25 -5.143 -15.002 5.377 1.00 14.10 C ATOM 0 H ALA A 25 -5.380 -13.004 6.747 1.00 13.42 H new ATOM 0 HA ALA A 25 -3.789 -13.615 4.452 1.00 5.22 H new ATOM 0 HB1 ALA A 25 -5.063 -15.739 4.578 1.00 14.10 H new ATOM 0 HB2 ALA A 25 -4.443 -15.254 6.174 1.00 14.10 H new ATOM 0 HB3 ALA A 25 -6.159 -15.005 5.772 1.00 14.10 H new ATOM 358 N PHE A 26 -6.616 -12.298 3.793 1.00 72.45 N ATOM 359 CA PHE A 26 -7.505 -11.818 2.746 1.00 74.35 C ATOM 360 C PHE A 26 -6.884 -10.710 1.887 1.00 73.41 C ATOM 361 O PHE A 26 -7.332 -10.515 0.761 1.00 74.05 O ATOM 362 CB PHE A 26 -8.808 -11.326 3.381 1.00 13.31 C ATOM 363 CG PHE A 26 -10.029 -11.450 2.491 1.00 71.45 C ATOM 364 CD1 PHE A 26 -10.475 -12.722 2.082 1.00 61.42 C ATOM 365 CD2 PHE A 26 -10.752 -10.304 2.112 1.00 14.24 C ATOM 366 CE1 PHE A 26 -11.635 -12.844 1.300 1.00 75.23 C ATOM 367 CE2 PHE A 26 -11.933 -10.430 1.359 1.00 11.53 C ATOM 368 CZ PHE A 26 -12.368 -11.700 0.943 1.00 52.15 C ATOM 0 H PHE A 26 -6.770 -11.839 4.691 1.00 72.45 H new ATOM 0 HA PHE A 26 -7.698 -12.654 2.074 1.00 74.35 H new ATOM 0 HB2 PHE A 26 -8.985 -11.888 4.298 1.00 13.31 H new ATOM 0 HB3 PHE A 26 -8.686 -10.281 3.665 1.00 13.31 H new ATOM 0 HD1 PHE A 26 -9.924 -13.605 2.370 1.00 61.42 H new ATOM 0 HD2 PHE A 26 -10.399 -9.325 2.400 1.00 14.24 H new ATOM 0 HE1 PHE A 26 -11.964 -13.819 0.972 1.00 75.23 H new ATOM 0 HE2 PHE A 26 -12.505 -9.551 1.101 1.00 11.53 H new ATOM 0 HZ PHE A 26 -13.265 -11.796 0.349 1.00 52.15 H new ATOM 378 N GLN A 27 -5.857 -10.000 2.371 1.00 24.21 N ATOM 379 CA GLN A 27 -5.250 -8.900 1.618 1.00 45.34 C ATOM 380 C GLN A 27 -4.716 -9.399 0.267 1.00 14.31 C ATOM 381 O GLN A 27 -5.086 -8.883 -0.788 1.00 54.35 O ATOM 382 CB GLN A 27 -4.142 -8.202 2.427 1.00 13.11 C ATOM 383 CG GLN A 27 -4.668 -7.531 3.707 1.00 63.35 C ATOM 384 CD GLN A 27 -3.667 -6.566 4.349 1.00 73.25 C ATOM 385 OE1 GLN A 27 -2.605 -6.293 3.790 1.00 12.34 O ATOM 386 NE2 GLN A 27 -3.994 -6.043 5.518 1.00 43.55 N ATOM 0 H GLN A 27 -5.430 -10.169 3.282 1.00 24.21 H new ATOM 0 HA GLN A 27 -6.027 -8.160 1.428 1.00 45.34 H new ATOM 0 HB2 GLN A 27 -3.378 -8.933 2.693 1.00 13.11 H new ATOM 0 HB3 GLN A 27 -3.660 -7.451 1.801 1.00 13.11 H new ATOM 0 HG2 GLN A 27 -5.584 -6.988 3.473 1.00 63.35 H new ATOM 0 HG3 GLN A 27 -4.931 -8.303 4.430 1.00 63.35 H new ATOM 0 HE21 GLN A 27 -4.882 -6.289 5.956 1.00 43.55 H new ATOM 0 HE22 GLN A 27 -3.359 -5.394 5.982 1.00 43.55 H new ATOM 395 N TYR A 28 -3.894 -10.452 0.300 1.00 55.12 N ATOM 396 CA TYR A 28 -3.252 -11.100 -0.847 1.00 12.20 C ATOM 397 C TYR A 28 -4.236 -11.316 -2.011 1.00 4.33 C ATOM 398 O TYR A 28 -3.974 -10.905 -3.143 1.00 40.42 O ATOM 399 CB TYR A 28 -2.609 -12.403 -0.369 1.00 24.03 C ATOM 400 CG TYR A 28 -1.658 -12.191 0.798 1.00 62.05 C ATOM 401 CD1 TYR A 28 -0.354 -11.713 0.564 1.00 23.12 C ATOM 402 CD2 TYR A 28 -2.101 -12.402 2.118 1.00 13.23 C ATOM 403 CE1 TYR A 28 0.516 -11.460 1.641 1.00 44.13 C ATOM 404 CE2 TYR A 28 -1.236 -12.157 3.199 1.00 3.54 C ATOM 405 CZ TYR A 28 0.075 -11.679 2.966 1.00 13.32 C ATOM 406 OH TYR A 28 0.897 -11.420 4.021 1.00 72.14 O ATOM 0 H TYR A 28 -3.644 -10.902 1.181 1.00 55.12 H new ATOM 0 HA TYR A 28 -2.475 -10.449 -1.248 1.00 12.20 H new ATOM 0 HB2 TYR A 28 -3.391 -13.103 -0.074 1.00 24.03 H new ATOM 0 HB3 TYR A 28 -2.067 -12.861 -1.196 1.00 24.03 H new ATOM 0 HD1 TYR A 28 -0.020 -11.540 -0.448 1.00 23.12 H new ATOM 0 HD2 TYR A 28 -3.106 -12.752 2.300 1.00 13.23 H new ATOM 0 HE1 TYR A 28 1.517 -11.100 1.456 1.00 44.13 H new ATOM 0 HE2 TYR A 28 -1.573 -12.334 4.210 1.00 3.54 H new ATOM 0 HH TYR A 28 0.430 -11.627 4.858 1.00 72.14 H new ATOM 416 N THR A 29 -5.407 -11.891 -1.721 1.00 63.25 N ATOM 417 CA THR A 29 -6.431 -12.270 -2.695 1.00 40.11 C ATOM 418 C THR A 29 -7.255 -11.061 -3.208 1.00 71.25 C ATOM 419 O THR A 29 -8.373 -11.231 -3.703 1.00 34.43 O ATOM 420 CB THR A 29 -7.234 -13.450 -2.091 1.00 61.23 C ATOM 421 OG1 THR A 29 -7.985 -14.195 -3.039 1.00 12.44 O ATOM 422 CG2 THR A 29 -8.113 -13.071 -0.900 1.00 11.44 C ATOM 0 H THR A 29 -5.677 -12.113 -0.763 1.00 63.25 H new ATOM 0 HA THR A 29 -5.983 -12.625 -3.623 1.00 40.11 H new ATOM 0 HB THR A 29 -6.445 -14.103 -1.717 1.00 61.23 H new ATOM 0 HG1 THR A 29 -8.420 -13.581 -3.667 1.00 12.44 H new ATOM 0 HG21 THR A 29 -8.639 -13.955 -0.540 1.00 11.44 H new ATOM 0 HG22 THR A 29 -7.490 -12.669 -0.101 1.00 11.44 H new ATOM 0 HG23 THR A 29 -8.838 -12.318 -1.208 1.00 11.44 H new ATOM 430 N ARG A 30 -6.737 -9.830 -3.093 1.00 12.51 N ATOM 431 CA ARG A 30 -7.302 -8.605 -3.666 1.00 15.22 C ATOM 432 C ARG A 30 -6.192 -7.680 -4.188 1.00 4.54 C ATOM 433 O ARG A 30 -6.322 -6.458 -4.113 1.00 62.41 O ATOM 434 CB ARG A 30 -8.202 -7.894 -2.639 1.00 0.40 C ATOM 435 CG ARG A 30 -9.533 -8.605 -2.380 1.00 24.21 C ATOM 436 CD ARG A 30 -10.432 -7.689 -1.548 1.00 41.42 C ATOM 437 NE ARG A 30 -11.759 -8.289 -1.329 1.00 51.32 N ATOM 438 CZ ARG A 30 -12.927 -7.813 -1.783 1.00 2.23 C ATOM 439 NH1 ARG A 30 -12.995 -6.827 -2.672 1.00 70.44 N ATOM 440 NH2 ARG A 30 -14.071 -8.320 -1.348 1.00 30.22 N ATOM 0 H ARG A 30 -5.876 -9.656 -2.575 1.00 12.51 H new ATOM 0 HA ARG A 30 -7.924 -8.876 -4.519 1.00 15.22 H new ATOM 0 HB2 ARG A 30 -7.661 -7.804 -1.697 1.00 0.40 H new ATOM 0 HB3 ARG A 30 -8.405 -6.881 -2.988 1.00 0.40 H new ATOM 0 HG2 ARG A 30 -10.018 -8.852 -3.324 1.00 24.21 H new ATOM 0 HG3 ARG A 30 -9.362 -9.544 -1.854 1.00 24.21 H new ATOM 0 HD2 ARG A 30 -9.959 -7.489 -0.587 1.00 41.42 H new ATOM 0 HD3 ARG A 30 -10.544 -6.730 -2.054 1.00 41.42 H new ATOM 0 HE ARG A 30 -11.792 -9.148 -0.780 1.00 51.32 H new ATOM 0 HH11 ARG A 30 -12.139 -6.406 -3.033 1.00 70.44 H new ATOM 0 HH12 ARG A 30 -13.903 -6.492 -2.993 1.00 70.44 H new ATOM 0 HH21 ARG A 30 -14.066 -9.077 -0.664 1.00 30.22 H new ATOM 0 HH22 ARG A 30 -14.957 -7.954 -1.697 1.00 30.22 H new ATOM 454 N VAL A 31 -5.090 -8.222 -4.709 1.00 73.15 N ATOM 455 CA VAL A 31 -4.016 -7.440 -5.332 1.00 71.34 C ATOM 456 C VAL A 31 -3.749 -8.043 -6.715 1.00 15.31 C ATOM 457 O VAL A 31 -3.851 -9.266 -6.870 1.00 20.23 O ATOM 458 CB VAL A 31 -2.760 -7.448 -4.427 1.00 72.23 C ATOM 459 CG1 VAL A 31 -1.715 -6.426 -4.885 1.00 34.14 C ATOM 460 CG2 VAL A 31 -3.088 -7.141 -2.958 1.00 51.53 C ATOM 0 H VAL A 31 -4.914 -9.227 -4.711 1.00 73.15 H new ATOM 0 HA VAL A 31 -4.301 -6.395 -5.452 1.00 71.34 H new ATOM 0 HB VAL A 31 -2.363 -8.460 -4.511 1.00 72.23 H new ATOM 0 HG11 VAL A 31 -0.851 -6.466 -4.221 1.00 34.14 H new ATOM 0 HG12 VAL A 31 -1.402 -6.657 -5.903 1.00 34.14 H new ATOM 0 HG13 VAL A 31 -2.147 -5.426 -4.857 1.00 34.14 H new ATOM 0 HG21 VAL A 31 -2.171 -7.160 -2.369 1.00 51.53 H new ATOM 0 HG22 VAL A 31 -3.546 -6.154 -2.886 1.00 51.53 H new ATOM 0 HG23 VAL A 31 -3.780 -7.891 -2.575 1.00 51.53 H new ATOM 470 N LYS A 32 -3.415 -7.221 -7.714 1.00 14.21 N ATOM 471 CA LYS A 32 -2.938 -7.684 -9.021 1.00 43.24 C ATOM 472 C LYS A 32 -1.439 -7.465 -9.082 1.00 4.44 C ATOM 473 O LYS A 32 -0.896 -6.688 -8.304 1.00 12.44 O ATOM 474 CB LYS A 32 -3.609 -6.907 -10.169 1.00 53.31 C ATOM 475 CG LYS A 32 -5.062 -7.335 -10.414 1.00 3.44 C ATOM 476 CD LYS A 32 -5.164 -8.659 -11.168 1.00 43.24 C ATOM 477 CE LYS A 32 -6.630 -9.063 -11.273 1.00 73.43 C ATOM 478 NZ LYS A 32 -6.776 -10.434 -11.788 1.00 73.41 N ATOM 0 H LYS A 32 -3.469 -6.205 -7.638 1.00 14.21 H new ATOM 0 HA LYS A 32 -3.187 -8.739 -9.137 1.00 43.24 H new ATOM 0 HB2 LYS A 32 -3.583 -5.841 -9.943 1.00 53.31 H new ATOM 0 HB3 LYS A 32 -3.034 -7.053 -11.084 1.00 53.31 H new ATOM 0 HG2 LYS A 32 -5.577 -7.425 -9.457 1.00 3.44 H new ATOM 0 HG3 LYS A 32 -5.575 -6.558 -10.980 1.00 3.44 H new ATOM 0 HD2 LYS A 32 -4.729 -8.559 -12.163 1.00 43.24 H new ATOM 0 HD3 LYS A 32 -4.597 -9.432 -10.649 1.00 43.24 H new ATOM 0 HE2 LYS A 32 -7.100 -8.990 -10.292 1.00 73.43 H new ATOM 0 HE3 LYS A 32 -7.154 -8.369 -11.930 1.00 73.43 H new ATOM 0 HZ1 LYS A 32 -7.785 -10.677 -11.847 1.00 73.41 H new ATOM 0 HZ2 LYS A 32 -6.349 -10.497 -12.734 1.00 73.41 H new ATOM 0 HZ3 LYS A 32 -6.297 -11.098 -11.147 1.00 73.41 H new ATOM 492 N PHE A 33 -0.780 -8.132 -10.019 1.00 11.22 N ATOM 493 CA PHE A 33 0.607 -7.872 -10.361 1.00 15.24 C ATOM 494 C PHE A 33 0.712 -7.859 -11.893 1.00 31.23 C ATOM 495 O PHE A 33 -0.114 -8.515 -12.542 1.00 20.10 O ATOM 496 CB PHE A 33 1.515 -8.905 -9.681 1.00 2.31 C ATOM 497 CG PHE A 33 1.492 -8.765 -8.168 1.00 34.21 C ATOM 498 CD1 PHE A 33 2.257 -7.766 -7.538 1.00 3.30 C ATOM 499 CD2 PHE A 33 0.582 -9.519 -7.404 1.00 75.15 C ATOM 500 CE1 PHE A 33 2.119 -7.532 -6.159 1.00 52.15 C ATOM 501 CE2 PHE A 33 0.434 -9.277 -6.028 1.00 64.33 C ATOM 502 CZ PHE A 33 1.218 -8.295 -5.399 1.00 15.30 C ATOM 0 H PHE A 33 -1.202 -8.880 -10.570 1.00 11.22 H new ATOM 0 HA PHE A 33 0.946 -6.903 -9.995 1.00 15.24 H new ATOM 0 HB2 PHE A 33 1.195 -9.909 -9.958 1.00 2.31 H new ATOM 0 HB3 PHE A 33 2.536 -8.785 -10.042 1.00 2.31 H new ATOM 0 HD1 PHE A 33 2.953 -7.177 -8.116 1.00 3.30 H new ATOM 0 HD2 PHE A 33 -0.007 -10.290 -7.879 1.00 75.15 H new ATOM 0 HE1 PHE A 33 2.708 -6.763 -5.682 1.00 52.15 H new ATOM 0 HE2 PHE A 33 -0.282 -9.846 -5.454 1.00 64.33 H new ATOM 0 HZ PHE A 33 1.128 -8.128 -4.336 1.00 15.30 H new ATOM 512 N PRO A 34 1.677 -7.146 -12.499 1.00 33.32 N ATOM 513 CA PRO A 34 2.532 -6.142 -11.867 1.00 23.31 C ATOM 514 C PRO A 34 1.743 -4.978 -11.237 1.00 32.11 C ATOM 515 O PRO A 34 0.515 -4.907 -11.346 1.00 4.20 O ATOM 516 CB PRO A 34 3.499 -5.686 -12.967 1.00 22.21 C ATOM 517 CG PRO A 34 2.761 -5.987 -14.270 1.00 64.12 C ATOM 518 CD PRO A 34 1.953 -7.232 -13.926 1.00 31.33 C ATOM 0 HA PRO A 34 3.068 -6.563 -11.016 1.00 23.31 H new ATOM 0 HB2 PRO A 34 3.731 -4.625 -12.878 1.00 22.21 H new ATOM 0 HB3 PRO A 34 4.445 -6.224 -12.913 1.00 22.21 H new ATOM 0 HG2 PRO A 34 2.119 -5.159 -14.571 1.00 64.12 H new ATOM 0 HG3 PRO A 34 3.452 -6.169 -15.093 1.00 64.12 H new ATOM 0 HD2 PRO A 34 1.028 -7.269 -14.501 1.00 31.33 H new ATOM 0 HD3 PRO A 34 2.511 -8.138 -14.162 1.00 31.33 H new ATOM 526 N LEU A 35 2.465 -4.132 -10.499 1.00 40.55 N ATOM 527 CA LEU A 35 1.988 -2.885 -9.911 1.00 14.13 C ATOM 528 C LEU A 35 2.711 -1.739 -10.602 1.00 34.22 C ATOM 529 O LEU A 35 3.753 -1.948 -11.236 1.00 54.43 O ATOM 530 CB LEU A 35 2.329 -2.804 -8.417 1.00 24.04 C ATOM 531 CG LEU A 35 1.649 -3.831 -7.505 1.00 44.31 C ATOM 532 CD1 LEU A 35 2.181 -3.595 -6.099 1.00 74.24 C ATOM 533 CD2 LEU A 35 0.123 -3.778 -7.496 1.00 43.32 C ATOM 0 H LEU A 35 3.447 -4.310 -10.287 1.00 40.55 H new ATOM 0 HA LEU A 35 0.906 -2.834 -10.034 1.00 14.13 H new ATOM 0 HB2 LEU A 35 3.408 -2.911 -8.307 1.00 24.04 H new ATOM 0 HB3 LEU A 35 2.070 -1.807 -8.061 1.00 24.04 H new ATOM 0 HG LEU A 35 1.887 -4.822 -7.891 1.00 44.31 H new ATOM 0 HD11 LEU A 35 1.723 -4.307 -5.412 1.00 74.24 H new ATOM 0 HD12 LEU A 35 3.263 -3.729 -6.092 1.00 74.24 H new ATOM 0 HD13 LEU A 35 1.939 -2.580 -5.784 1.00 74.24 H new ATOM 0 HD21 LEU A 35 -0.264 -4.542 -6.822 1.00 43.32 H new ATOM 0 HD22 LEU A 35 -0.205 -2.795 -7.157 1.00 43.32 H new ATOM 0 HD23 LEU A 35 -0.253 -3.959 -8.503 1.00 43.32 H new ATOM 545 N LYS A 36 2.205 -0.521 -10.413 1.00 64.43 N ATOM 546 CA LYS A 36 2.786 0.646 -11.090 1.00 62.42 C ATOM 547 C LYS A 36 4.138 0.959 -10.480 1.00 30.41 C ATOM 548 O LYS A 36 5.069 1.273 -11.224 1.00 23.14 O ATOM 549 CB LYS A 36 1.889 1.895 -11.043 1.00 51.35 C ATOM 550 CG LYS A 36 0.399 1.593 -11.207 1.00 11.51 C ATOM 551 CD LYS A 36 0.098 0.868 -12.532 1.00 61.04 C ATOM 552 CE LYS A 36 -1.409 0.779 -12.765 1.00 53.23 C ATOM 553 NZ LYS A 36 -1.747 0.166 -14.064 1.00 42.31 N ATOM 0 H LYS A 36 1.409 -0.314 -9.809 1.00 64.43 H new ATOM 0 HA LYS A 36 2.888 0.382 -12.143 1.00 62.42 H new ATOM 0 HB2 LYS A 36 2.044 2.406 -10.093 1.00 51.35 H new ATOM 0 HB3 LYS A 36 2.199 2.583 -11.829 1.00 51.35 H new ATOM 0 HG2 LYS A 36 0.060 0.979 -10.373 1.00 11.51 H new ATOM 0 HG3 LYS A 36 -0.166 2.524 -11.167 1.00 11.51 H new ATOM 0 HD2 LYS A 36 0.569 1.400 -13.359 1.00 61.04 H new ATOM 0 HD3 LYS A 36 0.528 -0.133 -12.511 1.00 61.04 H new ATOM 0 HE2 LYS A 36 -1.863 0.196 -11.963 1.00 53.23 H new ATOM 0 HE3 LYS A 36 -1.840 1.779 -12.716 1.00 53.23 H new ATOM 0 HZ1 LYS A 36 -2.781 0.130 -14.172 1.00 42.31 H new ATOM 0 HZ2 LYS A 36 -1.338 0.735 -14.833 1.00 42.31 H new ATOM 0 HZ3 LYS A 36 -1.361 -0.799 -14.104 1.00 42.31 H new ATOM 567 N THR A 37 4.244 0.835 -9.164 1.00 63.21 N ATOM 568 CA THR A 37 5.463 1.039 -8.393 1.00 61.05 C ATOM 569 C THR A 37 6.116 -0.314 -8.048 1.00 12.32 C ATOM 570 O THR A 37 5.776 -0.913 -7.023 1.00 43.14 O ATOM 571 CB THR A 37 5.162 1.917 -7.170 1.00 12.23 C ATOM 572 OG1 THR A 37 4.175 1.312 -6.363 1.00 24.43 O ATOM 573 CG2 THR A 37 4.689 3.317 -7.595 1.00 61.05 C ATOM 0 H THR A 37 3.448 0.578 -8.579 1.00 63.21 H new ATOM 0 HA THR A 37 6.200 1.579 -8.987 1.00 61.05 H new ATOM 0 HB THR A 37 6.085 2.020 -6.600 1.00 12.23 H new ATOM 0 HG1 THR A 37 3.322 1.296 -6.846 1.00 24.43 H new ATOM 0 HG21 THR A 37 4.483 3.916 -6.708 1.00 61.05 H new ATOM 0 HG22 THR A 37 5.467 3.800 -8.187 1.00 61.05 H new ATOM 0 HG23 THR A 37 3.781 3.229 -8.192 1.00 61.05 H new ATOM 581 N PRO A 38 6.969 -0.904 -8.908 1.00 24.14 N ATOM 582 CA PRO A 38 7.843 -1.987 -8.471 1.00 75.14 C ATOM 583 C PRO A 38 8.811 -1.480 -7.388 1.00 33.20 C ATOM 584 O PRO A 38 8.973 -0.277 -7.172 1.00 31.13 O ATOM 585 CB PRO A 38 8.580 -2.446 -9.735 1.00 32.33 C ATOM 586 CG PRO A 38 8.674 -1.160 -10.553 1.00 15.34 C ATOM 587 CD PRO A 38 7.353 -0.461 -10.236 1.00 3.40 C ATOM 0 HA PRO A 38 7.296 -2.815 -8.021 1.00 75.14 H new ATOM 0 HB2 PRO A 38 9.565 -2.852 -9.505 1.00 32.33 H new ATOM 0 HB3 PRO A 38 8.030 -3.224 -10.265 1.00 32.33 H new ATOM 0 HG2 PRO A 38 9.532 -0.556 -10.259 1.00 15.34 H new ATOM 0 HG3 PRO A 38 8.778 -1.365 -11.619 1.00 15.34 H new ATOM 0 HD2 PRO A 38 7.469 0.622 -10.267 1.00 3.40 H new ATOM 0 HD3 PRO A 38 6.589 -0.721 -10.969 1.00 3.40 H new ATOM 595 N ILE A 39 9.501 -2.410 -6.727 1.00 2.52 N ATOM 596 CA ILE A 39 10.622 -2.070 -5.858 1.00 14.33 C ATOM 597 C ILE A 39 11.711 -1.511 -6.764 1.00 42.33 C ATOM 598 O ILE A 39 11.966 -2.101 -7.818 1.00 35.52 O ATOM 599 CB ILE A 39 11.112 -3.321 -5.095 1.00 1.03 C ATOM 600 CG1 ILE A 39 9.977 -3.909 -4.225 1.00 70.25 C ATOM 601 CG2 ILE A 39 12.358 -3.014 -4.240 1.00 1.12 C ATOM 602 CD1 ILE A 39 9.277 -5.088 -4.903 1.00 15.23 C ATOM 0 H ILE A 39 9.300 -3.409 -6.779 1.00 2.52 H new ATOM 0 HA ILE A 39 10.336 -1.338 -5.103 1.00 14.33 H new ATOM 0 HB ILE A 39 11.401 -4.067 -5.835 1.00 1.03 H new ATOM 0 HG12 ILE A 39 10.387 -4.234 -3.268 1.00 70.25 H new ATOM 0 HG13 ILE A 39 9.246 -3.130 -4.011 1.00 70.25 H new ATOM 0 HG21 ILE A 39 12.673 -3.918 -3.718 1.00 1.12 H new ATOM 0 HG22 ILE A 39 13.165 -2.667 -4.885 1.00 1.12 H new ATOM 0 HG23 ILE A 39 12.118 -2.240 -3.511 1.00 1.12 H new ATOM 0 HD11 ILE A 39 8.488 -5.466 -4.252 1.00 15.23 H new ATOM 0 HD12 ILE A 39 8.842 -4.759 -5.847 1.00 15.23 H new ATOM 0 HD13 ILE A 39 10.001 -5.880 -5.093 1.00 15.23 H new ATOM 614 N THR A 40 12.385 -0.447 -6.330 1.00 53.12 N ATOM 615 CA THR A 40 13.565 0.099 -6.983 1.00 24.32 C ATOM 616 C THR A 40 14.648 0.250 -5.917 1.00 23.52 C ATOM 617 O THR A 40 14.334 0.508 -4.754 1.00 63.55 O ATOM 618 CB THR A 40 13.227 1.420 -7.696 1.00 71.44 C ATOM 619 OG1 THR A 40 12.018 1.286 -8.423 1.00 54.13 O ATOM 620 CG2 THR A 40 14.311 1.781 -8.713 1.00 41.45 C ATOM 0 H THR A 40 12.115 0.070 -5.493 1.00 53.12 H new ATOM 0 HA THR A 40 13.932 -0.566 -7.764 1.00 24.32 H new ATOM 0 HB THR A 40 13.146 2.190 -6.929 1.00 71.44 H new ATOM 0 HG1 THR A 40 11.811 2.132 -8.872 1.00 54.13 H new ATOM 0 HG21 THR A 40 14.051 2.718 -9.205 1.00 41.45 H new ATOM 0 HG22 THR A 40 15.267 1.893 -8.202 1.00 41.45 H new ATOM 0 HG23 THR A 40 14.389 0.990 -9.458 1.00 41.45 H new ATOM 628 N LEU A 41 15.907 0.028 -6.299 1.00 12.31 N ATOM 629 CA LEU A 41 17.078 0.057 -5.431 1.00 42.33 C ATOM 630 C LEU A 41 18.192 0.778 -6.175 1.00 22.12 C ATOM 631 O LEU A 41 18.271 0.681 -7.406 1.00 61.51 O ATOM 632 CB LEU A 41 17.538 -1.377 -5.106 1.00 50.33 C ATOM 633 CG LEU A 41 16.524 -2.164 -4.262 1.00 22.40 C ATOM 634 CD1 LEU A 41 16.950 -3.614 -4.015 1.00 13.41 C ATOM 635 CD2 LEU A 41 16.321 -1.507 -2.905 1.00 2.14 C ATOM 0 H LEU A 41 16.145 -0.186 -7.267 1.00 12.31 H new ATOM 0 HA LEU A 41 16.835 0.566 -4.498 1.00 42.33 H new ATOM 0 HB2 LEU A 41 17.719 -1.913 -6.038 1.00 50.33 H new ATOM 0 HB3 LEU A 41 18.488 -1.334 -4.574 1.00 50.33 H new ATOM 0 HG LEU A 41 15.600 -2.161 -4.840 1.00 22.40 H new ATOM 0 HD11 LEU A 41 16.194 -4.118 -3.413 1.00 13.41 H new ATOM 0 HD12 LEU A 41 17.057 -4.129 -4.969 1.00 13.41 H new ATOM 0 HD13 LEU A 41 17.903 -3.628 -3.486 1.00 13.41 H new ATOM 0 HD21 LEU A 41 15.599 -2.083 -2.326 1.00 2.14 H new ATOM 0 HD22 LEU A 41 17.271 -1.474 -2.371 1.00 2.14 H new ATOM 0 HD23 LEU A 41 15.948 -0.492 -3.044 1.00 2.14 H new ATOM 647 N LEU A 42 19.089 1.424 -5.435 1.00 71.21 N ATOM 648 CA LEU A 42 20.336 1.951 -5.953 1.00 70.51 C ATOM 649 C LEU A 42 21.311 0.787 -6.152 1.00 62.34 C ATOM 650 O LEU A 42 21.511 -0.028 -5.246 1.00 54.32 O ATOM 651 CB LEU A 42 20.864 3.018 -4.977 1.00 64.51 C ATOM 652 CG LEU A 42 21.694 4.105 -5.666 1.00 24.52 C ATOM 653 CD1 LEU A 42 20.859 4.913 -6.682 1.00 65.52 C ATOM 654 CD2 LEU A 42 22.253 5.062 -4.608 1.00 52.14 C ATOM 0 H LEU A 42 18.961 1.596 -4.438 1.00 71.21 H new ATOM 0 HA LEU A 42 20.202 2.435 -6.921 1.00 70.51 H new ATOM 0 HB2 LEU A 42 20.021 3.483 -4.465 1.00 64.51 H new ATOM 0 HB3 LEU A 42 21.473 2.534 -4.213 1.00 64.51 H new ATOM 0 HG LEU A 42 22.501 3.612 -6.208 1.00 24.52 H new ATOM 0 HD11 LEU A 42 21.487 5.673 -7.147 1.00 65.52 H new ATOM 0 HD12 LEU A 42 20.472 4.243 -7.450 1.00 65.52 H new ATOM 0 HD13 LEU A 42 20.027 5.395 -6.168 1.00 65.52 H new ATOM 0 HD21 LEU A 42 22.845 5.837 -5.095 1.00 52.14 H new ATOM 0 HD22 LEU A 42 21.429 5.523 -4.063 1.00 52.14 H new ATOM 0 HD23 LEU A 42 22.883 4.508 -3.913 1.00 52.14 H new ATOM 666 N ALA A 43 21.849 0.655 -7.363 1.00 63.45 N ATOM 667 CA ALA A 43 22.798 -0.366 -7.776 1.00 14.43 C ATOM 668 C ALA A 43 24.215 -0.028 -7.308 1.00 42.42 C ATOM 669 O ALA A 43 24.471 1.022 -6.714 1.00 33.14 O ATOM 670 CB ALA A 43 22.758 -0.458 -9.307 1.00 64.12 C ATOM 0 H ALA A 43 21.618 1.296 -8.122 1.00 63.45 H new ATOM 0 HA ALA A 43 22.525 -1.320 -7.325 1.00 14.43 H new ATOM 0 HB1 ALA A 43 23.462 -1.218 -9.644 1.00 64.12 H new ATOM 0 HB2 ALA A 43 21.752 -0.727 -9.629 1.00 64.12 H new ATOM 0 HB3 ALA A 43 23.031 0.506 -9.737 1.00 64.12 H new ATOM 676 N ASP A 44 25.154 -0.910 -7.643 1.00 22.50 N ATOM 677 CA ASP A 44 26.578 -0.737 -7.358 1.00 72.12 C ATOM 678 C ASP A 44 27.221 0.380 -8.177 1.00 71.44 C ATOM 679 O ASP A 44 28.330 0.796 -7.851 1.00 44.33 O ATOM 680 CB ASP A 44 27.327 -2.059 -7.566 1.00 64.21 C ATOM 681 CG ASP A 44 27.411 -2.809 -6.250 1.00 30.33 C ATOM 682 OD1 ASP A 44 26.422 -3.490 -5.891 1.00 12.32 O ATOM 683 OD2 ASP A 44 28.435 -2.694 -5.539 1.00 41.05 O ATOM 0 H ASP A 44 24.943 -1.782 -8.129 1.00 22.50 H new ATOM 0 HA ASP A 44 26.655 -0.437 -6.313 1.00 72.12 H new ATOM 0 HB2 ASP A 44 26.813 -2.667 -8.310 1.00 64.21 H new ATOM 0 HB3 ASP A 44 28.328 -1.865 -7.950 1.00 64.21 H new ATOM 688 N ASP A 45 26.546 0.881 -9.215 1.00 32.11 N ATOM 689 CA ASP A 45 26.984 2.067 -9.954 1.00 2.20 C ATOM 690 C ASP A 45 26.619 3.363 -9.224 1.00 50.23 C ATOM 691 O ASP A 45 27.066 4.434 -9.620 1.00 64.15 O ATOM 692 CB ASP A 45 26.418 2.081 -11.364 1.00 14.24 C ATOM 693 CG ASP A 45 27.128 1.100 -12.292 1.00 53.32 C ATOM 694 OD1 ASP A 45 28.353 1.222 -12.516 1.00 43.23 O ATOM 695 OD2 ASP A 45 26.448 0.172 -12.786 1.00 34.30 O ATOM 0 H ASP A 45 25.679 0.475 -9.567 1.00 32.11 H new ATOM 0 HA ASP A 45 28.071 2.013 -10.018 1.00 2.20 H new ATOM 0 HB2 ASP A 45 25.356 1.837 -11.328 1.00 14.24 H new ATOM 0 HB3 ASP A 45 26.500 3.088 -11.774 1.00 14.24 H new ATOM 700 N GLY A 46 25.768 3.306 -8.194 1.00 61.44 N ATOM 701 CA GLY A 46 25.347 4.452 -7.395 1.00 61.15 C ATOM 702 C GLY A 46 24.516 5.493 -8.153 1.00 31.50 C ATOM 703 O GLY A 46 24.062 6.442 -7.522 1.00 14.13 O ATOM 0 H GLY A 46 25.342 2.431 -7.887 1.00 61.44 H new ATOM 0 HA2 GLY A 46 24.766 4.092 -6.546 1.00 61.15 H new ATOM 0 HA3 GLY A 46 26.233 4.940 -6.990 1.00 61.15 H new ATOM 707 N GLU A 47 24.273 5.339 -9.458 1.00 73.55 N ATOM 708 CA GLU A 47 23.384 6.178 -10.255 1.00 3.33 C ATOM 709 C GLU A 47 22.425 5.374 -11.155 1.00 64.32 C ATOM 710 O GLU A 47 21.548 5.953 -11.789 1.00 45.24 O ATOM 711 CB GLU A 47 24.207 7.193 -11.050 1.00 1.01 C ATOM 712 CG GLU A 47 25.204 6.517 -11.992 1.00 2.01 C ATOM 713 CD GLU A 47 25.858 7.510 -12.953 1.00 65.15 C ATOM 714 OE1 GLU A 47 26.302 8.590 -12.498 1.00 65.44 O ATOM 715 OE2 GLU A 47 25.846 7.229 -14.174 1.00 44.13 O ATOM 0 H GLU A 47 24.709 4.597 -10.006 1.00 73.55 H new ATOM 0 HA GLU A 47 22.733 6.714 -9.564 1.00 3.33 H new ATOM 0 HB2 GLU A 47 23.537 7.828 -11.629 1.00 1.01 H new ATOM 0 HB3 GLU A 47 24.745 7.843 -10.360 1.00 1.01 H new ATOM 0 HG2 GLU A 47 25.976 6.021 -11.405 1.00 2.01 H new ATOM 0 HG3 GLU A 47 24.692 5.743 -12.565 1.00 2.01 H new ATOM 722 N THR A 48 22.557 4.047 -11.229 1.00 64.13 N ATOM 723 CA THR A 48 21.626 3.174 -11.944 1.00 25.14 C ATOM 724 C THR A 48 20.532 2.708 -10.975 1.00 14.32 C ATOM 725 O THR A 48 20.806 1.992 -10.010 1.00 72.24 O ATOM 726 CB THR A 48 22.417 2.010 -12.557 1.00 31.20 C ATOM 727 OG1 THR A 48 23.352 2.543 -13.481 1.00 63.12 O ATOM 728 CG2 THR A 48 21.520 1.014 -13.300 1.00 20.42 C ATOM 0 H THR A 48 23.326 3.543 -10.787 1.00 64.13 H new ATOM 0 HA THR A 48 21.130 3.700 -12.760 1.00 25.14 H new ATOM 0 HB THR A 48 22.905 1.475 -11.742 1.00 31.20 H new ATOM 0 HG1 THR A 48 23.868 1.813 -13.882 1.00 63.12 H new ATOM 0 HG21 THR A 48 22.131 0.212 -13.713 1.00 20.42 H new ATOM 0 HG22 THR A 48 20.791 0.594 -12.607 1.00 20.42 H new ATOM 0 HG23 THR A 48 20.999 1.527 -14.109 1.00 20.42 H new ATOM 736 N GLU A 49 19.292 3.132 -11.178 1.00 34.40 N ATOM 737 CA GLU A 49 18.140 2.564 -10.489 1.00 64.12 C ATOM 738 C GLU A 49 17.856 1.206 -11.145 1.00 75.11 C ATOM 739 O GLU A 49 17.571 1.172 -12.346 1.00 63.34 O ATOM 740 CB GLU A 49 16.929 3.479 -10.705 1.00 63.55 C ATOM 741 CG GLU A 49 16.908 4.819 -9.976 1.00 70.33 C ATOM 742 CD GLU A 49 15.704 5.637 -10.472 1.00 52.25 C ATOM 743 OE1 GLU A 49 14.551 5.345 -10.078 1.00 1.23 O ATOM 744 OE2 GLU A 49 15.909 6.552 -11.311 1.00 10.20 O ATOM 0 H GLU A 49 19.055 3.882 -11.827 1.00 34.40 H new ATOM 0 HA GLU A 49 18.329 2.460 -9.421 1.00 64.12 H new ATOM 0 HB2 GLU A 49 16.847 3.678 -11.773 1.00 63.55 H new ATOM 0 HB3 GLU A 49 16.036 2.926 -10.414 1.00 63.55 H new ATOM 0 HG2 GLU A 49 16.839 4.662 -8.900 1.00 70.33 H new ATOM 0 HG3 GLU A 49 17.835 5.363 -10.160 1.00 70.33 H new ATOM 751 N LYS A 50 17.877 0.091 -10.408 1.00 35.13 N ATOM 752 CA LYS A 50 17.359 -1.190 -10.915 1.00 0.23 C ATOM 753 C LYS A 50 16.136 -1.573 -10.102 1.00 32.24 C ATOM 754 O LYS A 50 16.084 -1.308 -8.897 1.00 14.12 O ATOM 755 CB LYS A 50 18.402 -2.318 -10.875 1.00 64.14 C ATOM 756 CG LYS A 50 19.666 -2.006 -11.696 1.00 40.41 C ATOM 757 CD LYS A 50 20.541 -3.242 -11.957 1.00 42.31 C ATOM 758 CE LYS A 50 21.038 -3.879 -10.653 1.00 35.31 C ATOM 759 NZ LYS A 50 21.840 -5.099 -10.892 1.00 55.33 N ATOM 0 H LYS A 50 18.246 0.047 -9.458 1.00 35.13 H new ATOM 0 HA LYS A 50 17.099 -1.056 -11.965 1.00 0.23 H new ATOM 0 HB2 LYS A 50 18.686 -2.504 -9.839 1.00 64.14 H new ATOM 0 HB3 LYS A 50 17.950 -3.236 -11.251 1.00 64.14 H new ATOM 0 HG2 LYS A 50 19.372 -1.569 -12.650 1.00 40.41 H new ATOM 0 HG3 LYS A 50 20.257 -1.256 -11.170 1.00 40.41 H new ATOM 0 HD2 LYS A 50 19.971 -3.977 -12.525 1.00 42.31 H new ATOM 0 HD3 LYS A 50 21.396 -2.958 -12.571 1.00 42.31 H new ATOM 0 HE2 LYS A 50 21.639 -3.154 -10.104 1.00 35.31 H new ATOM 0 HE3 LYS A 50 20.183 -4.127 -10.024 1.00 35.31 H new ATOM 0 HZ1 LYS A 50 22.153 -5.493 -9.982 1.00 55.33 H new ATOM 0 HZ2 LYS A 50 21.261 -5.803 -11.393 1.00 55.33 H new ATOM 0 HZ3 LYS A 50 22.671 -4.860 -11.470 1.00 55.33 H new ATOM 773 N THR A 51 15.160 -2.201 -10.749 1.00 12.14 N ATOM 774 CA THR A 51 13.945 -2.652 -10.091 1.00 73.54 C ATOM 775 C THR A 51 14.108 -4.083 -9.575 1.00 55.12 C ATOM 776 O THR A 51 15.090 -4.757 -9.909 1.00 12.32 O ATOM 777 CB THR A 51 12.739 -2.483 -11.031 1.00 20.12 C ATOM 778 OG1 THR A 51 13.028 -2.956 -12.333 1.00 31.43 O ATOM 779 CG2 THR A 51 12.342 -1.013 -11.148 1.00 40.22 C ATOM 0 H THR A 51 15.192 -2.411 -11.747 1.00 12.14 H new ATOM 0 HA THR A 51 13.754 -2.031 -9.216 1.00 73.54 H new ATOM 0 HB THR A 51 11.924 -3.063 -10.599 1.00 20.12 H new ATOM 0 HG1 THR A 51 12.242 -2.837 -12.906 1.00 31.43 H new ATOM 0 HG21 THR A 51 11.487 -0.919 -11.818 1.00 40.22 H new ATOM 0 HG22 THR A 51 12.075 -0.629 -10.163 1.00 40.22 H new ATOM 0 HG23 THR A 51 13.180 -0.440 -11.546 1.00 40.22 H new ATOM 787 N PHE A 52 13.137 -4.564 -8.793 1.00 3.44 N ATOM 788 CA PHE A 52 12.994 -5.961 -8.397 1.00 60.31 C ATOM 789 C PHE A 52 11.516 -6.369 -8.468 1.00 71.42 C ATOM 790 O PHE A 52 10.640 -5.504 -8.360 1.00 42.22 O ATOM 791 CB PHE A 52 13.566 -6.167 -6.985 1.00 34.54 C ATOM 792 CG PHE A 52 15.075 -6.281 -6.972 1.00 55.34 C ATOM 793 CD1 PHE A 52 15.872 -5.122 -6.917 1.00 33.32 C ATOM 794 CD2 PHE A 52 15.684 -7.545 -7.079 1.00 2.00 C ATOM 795 CE1 PHE A 52 17.271 -5.226 -6.980 1.00 75.15 C ATOM 796 CE2 PHE A 52 17.083 -7.649 -7.119 1.00 52.32 C ATOM 797 CZ PHE A 52 17.877 -6.493 -7.064 1.00 60.51 C ATOM 0 H PHE A 52 12.405 -3.967 -8.407 1.00 3.44 H new ATOM 0 HA PHE A 52 13.556 -6.597 -9.082 1.00 60.31 H new ATOM 0 HB2 PHE A 52 13.264 -5.333 -6.351 1.00 34.54 H new ATOM 0 HB3 PHE A 52 13.135 -7.069 -6.552 1.00 34.54 H new ATOM 0 HD1 PHE A 52 15.407 -4.152 -6.826 1.00 33.32 H new ATOM 0 HD2 PHE A 52 15.075 -8.435 -7.130 1.00 2.00 H new ATOM 0 HE1 PHE A 52 17.881 -4.335 -6.964 1.00 75.15 H new ATOM 0 HE2 PHE A 52 17.549 -8.620 -7.192 1.00 52.32 H new ATOM 0 HZ PHE A 52 18.954 -6.576 -7.086 1.00 60.51 H new ATOM 807 N PRO A 53 11.213 -7.673 -8.627 1.00 14.13 N ATOM 808 CA PRO A 53 9.844 -8.162 -8.726 1.00 44.23 C ATOM 809 C PRO A 53 9.090 -7.973 -7.414 1.00 20.30 C ATOM 810 O PRO A 53 9.467 -8.545 -6.385 1.00 34.33 O ATOM 811 CB PRO A 53 9.932 -9.644 -9.104 1.00 41.24 C ATOM 812 CG PRO A 53 11.339 -10.052 -8.668 1.00 54.01 C ATOM 813 CD PRO A 53 12.149 -8.769 -8.836 1.00 75.15 C ATOM 0 HA PRO A 53 9.289 -7.601 -9.478 1.00 44.23 H new ATOM 0 HB2 PRO A 53 9.169 -10.232 -8.594 1.00 41.24 H new ATOM 0 HB3 PRO A 53 9.786 -9.793 -10.174 1.00 41.24 H new ATOM 0 HG2 PRO A 53 11.354 -10.404 -7.636 1.00 54.01 H new ATOM 0 HG3 PRO A 53 11.733 -10.859 -9.286 1.00 54.01 H new ATOM 0 HD2 PRO A 53 12.966 -8.727 -8.116 1.00 75.15 H new ATOM 0 HD3 PRO A 53 12.596 -8.717 -9.829 1.00 75.15 H new ATOM 821 N PHE A 54 7.997 -7.212 -7.457 1.00 43.42 N ATOM 822 CA PHE A 54 7.019 -7.192 -6.388 1.00 63.02 C ATOM 823 C PHE A 54 6.306 -8.544 -6.379 1.00 74.25 C ATOM 824 O PHE A 54 5.664 -8.944 -7.361 1.00 51.52 O ATOM 825 CB PHE A 54 6.064 -5.997 -6.537 1.00 14.44 C ATOM 826 CG PHE A 54 5.612 -5.406 -5.212 1.00 71.23 C ATOM 827 CD1 PHE A 54 4.855 -6.175 -4.305 1.00 42.33 C ATOM 828 CD2 PHE A 54 5.962 -4.082 -4.874 1.00 70.31 C ATOM 829 CE1 PHE A 54 4.432 -5.618 -3.086 1.00 43.32 C ATOM 830 CE2 PHE A 54 5.533 -3.526 -3.658 1.00 43.53 C ATOM 831 CZ PHE A 54 4.766 -4.291 -2.765 1.00 44.23 C ATOM 0 H PHE A 54 7.771 -6.595 -8.237 1.00 43.42 H new ATOM 0 HA PHE A 54 7.501 -7.051 -5.421 1.00 63.02 H new ATOM 0 HB2 PHE A 54 6.557 -5.220 -7.122 1.00 14.44 H new ATOM 0 HB3 PHE A 54 5.187 -6.313 -7.102 1.00 14.44 H new ATOM 0 HD1 PHE A 54 4.599 -7.196 -4.548 1.00 42.33 H new ATOM 0 HD2 PHE A 54 6.562 -3.494 -5.553 1.00 70.31 H new ATOM 0 HE1 PHE A 54 3.850 -6.210 -2.395 1.00 43.32 H new ATOM 0 HE2 PHE A 54 5.794 -2.508 -3.409 1.00 43.53 H new ATOM 0 HZ PHE A 54 4.433 -3.860 -1.832 1.00 44.23 H new ATOM 841 N THR A 55 6.463 -9.267 -5.277 1.00 64.31 N ATOM 842 CA THR A 55 5.789 -10.523 -4.982 1.00 34.22 C ATOM 843 C THR A 55 5.125 -10.410 -3.609 1.00 33.10 C ATOM 844 O THR A 55 5.317 -9.404 -2.918 1.00 20.22 O ATOM 845 CB THR A 55 6.786 -11.693 -5.088 1.00 73.22 C ATOM 846 OG1 THR A 55 7.814 -11.652 -4.111 1.00 4.33 O ATOM 847 CG2 THR A 55 7.459 -11.695 -6.458 1.00 43.52 C ATOM 0 H THR A 55 7.094 -8.979 -4.530 1.00 64.31 H new ATOM 0 HA THR A 55 5.004 -10.729 -5.710 1.00 34.22 H new ATOM 0 HB THR A 55 6.193 -12.593 -4.928 1.00 73.22 H new ATOM 0 HG1 THR A 55 8.410 -12.420 -4.231 1.00 4.33 H new ATOM 0 HG21 THR A 55 8.160 -12.527 -6.518 1.00 43.52 H new ATOM 0 HG22 THR A 55 6.702 -11.802 -7.235 1.00 43.52 H new ATOM 0 HG23 THR A 55 7.996 -10.757 -6.601 1.00 43.52 H new ATOM 855 N LYS A 56 4.368 -11.430 -3.181 1.00 14.43 N ATOM 856 CA LYS A 56 3.632 -11.385 -1.920 1.00 20.14 C ATOM 857 C LYS A 56 4.533 -11.095 -0.724 1.00 51.11 C ATOM 858 O LYS A 56 4.077 -10.487 0.239 1.00 73.31 O ATOM 859 CB LYS A 56 2.822 -12.676 -1.721 1.00 4.51 C ATOM 860 CG LYS A 56 3.645 -13.886 -1.252 1.00 60.05 C ATOM 861 CD LYS A 56 2.791 -15.146 -1.100 1.00 33.43 C ATOM 862 CE LYS A 56 1.680 -14.993 -0.047 1.00 22.10 C ATOM 863 NZ LYS A 56 1.094 -16.307 0.299 1.00 22.21 N ATOM 0 H LYS A 56 4.252 -12.301 -3.698 1.00 14.43 H new ATOM 0 HA LYS A 56 2.935 -10.549 -1.982 1.00 20.14 H new ATOM 0 HB2 LYS A 56 2.034 -12.485 -0.992 1.00 4.51 H new ATOM 0 HB3 LYS A 56 2.332 -12.930 -2.661 1.00 4.51 H new ATOM 0 HG2 LYS A 56 4.446 -14.077 -1.966 1.00 60.05 H new ATOM 0 HG3 LYS A 56 4.118 -13.653 -0.298 1.00 60.05 H new ATOM 0 HD2 LYS A 56 2.341 -15.392 -2.062 1.00 33.43 H new ATOM 0 HD3 LYS A 56 3.433 -15.983 -0.825 1.00 33.43 H new ATOM 0 HE2 LYS A 56 2.086 -14.524 0.850 1.00 22.10 H new ATOM 0 HE3 LYS A 56 0.901 -14.332 -0.428 1.00 22.10 H new ATOM 0 HZ1 LYS A 56 0.347 -16.177 1.011 1.00 22.21 H new ATOM 0 HZ2 LYS A 56 0.688 -16.741 -0.554 1.00 22.21 H new ATOM 0 HZ3 LYS A 56 1.835 -16.927 0.684 1.00 22.21 H new ATOM 877 N GLU A 57 5.808 -11.482 -0.796 1.00 61.33 N ATOM 878 CA GLU A 57 6.770 -11.198 0.254 1.00 64.32 C ATOM 879 C GLU A 57 6.882 -9.697 0.515 1.00 5.11 C ATOM 880 O GLU A 57 7.041 -9.298 1.670 1.00 72.23 O ATOM 881 CB GLU A 57 8.146 -11.772 -0.104 1.00 32.11 C ATOM 882 CG GLU A 57 8.547 -12.979 0.766 1.00 20.53 C ATOM 883 CD GLU A 57 8.353 -14.322 0.066 1.00 2.21 C ATOM 884 OE1 GLU A 57 8.945 -14.474 -1.026 1.00 21.50 O ATOM 885 OE2 GLU A 57 7.722 -15.234 0.652 1.00 11.01 O ATOM 0 H GLU A 57 6.196 -12.000 -1.585 1.00 61.33 H new ATOM 0 HA GLU A 57 6.412 -11.677 1.166 1.00 64.32 H new ATOM 0 HB2 GLU A 57 8.145 -12.072 -1.152 1.00 32.11 H new ATOM 0 HB3 GLU A 57 8.898 -10.990 0.003 1.00 32.11 H new ATOM 0 HG2 GLU A 57 9.593 -12.877 1.056 1.00 20.53 H new ATOM 0 HG3 GLU A 57 7.959 -12.968 1.684 1.00 20.53 H new ATOM 892 N LYS A 58 6.832 -8.861 -0.529 1.00 53.32 N ATOM 893 CA LYS A 58 7.009 -7.412 -0.409 1.00 4.30 C ATOM 894 C LYS A 58 5.712 -6.724 0.015 1.00 62.32 C ATOM 895 O LYS A 58 5.639 -5.504 -0.011 1.00 25.31 O ATOM 896 CB LYS A 58 7.568 -6.792 -1.709 1.00 23.50 C ATOM 897 CG LYS A 58 8.995 -7.267 -2.024 1.00 34.52 C ATOM 898 CD LYS A 58 9.058 -8.524 -2.895 1.00 22.14 C ATOM 899 CE LYS A 58 10.152 -9.454 -2.372 1.00 24.31 C ATOM 900 NZ LYS A 58 10.407 -10.563 -3.309 1.00 35.20 N ATOM 0 H LYS A 58 6.667 -9.174 -1.485 1.00 53.32 H new ATOM 0 HA LYS A 58 7.747 -7.245 0.375 1.00 4.30 H new ATOM 0 HB2 LYS A 58 6.912 -7.048 -2.541 1.00 23.50 H new ATOM 0 HB3 LYS A 58 7.562 -5.706 -1.621 1.00 23.50 H new ATOM 0 HG2 LYS A 58 9.531 -6.462 -2.527 1.00 34.52 H new ATOM 0 HG3 LYS A 58 9.517 -7.461 -1.087 1.00 34.52 H new ATOM 0 HD2 LYS A 58 8.095 -9.035 -2.884 1.00 22.14 H new ATOM 0 HD3 LYS A 58 9.262 -8.252 -3.930 1.00 22.14 H new ATOM 0 HE2 LYS A 58 11.070 -8.888 -2.218 1.00 24.31 H new ATOM 0 HE3 LYS A 58 9.858 -9.855 -1.402 1.00 24.31 H new ATOM 0 HZ1 LYS A 58 10.970 -11.297 -2.833 1.00 35.20 H new ATOM 0 HZ2 LYS A 58 9.502 -10.969 -3.621 1.00 35.20 H new ATOM 0 HZ3 LYS A 58 10.930 -10.207 -4.135 1.00 35.20 H new ATOM 914 N TRP A 59 4.678 -7.489 0.362 1.00 34.52 N ATOM 915 CA TRP A 59 3.396 -7.012 0.839 1.00 14.52 C ATOM 916 C TRP A 59 3.398 -6.952 2.372 1.00 31.53 C ATOM 917 O TRP A 59 3.124 -7.994 2.989 1.00 51.33 O ATOM 918 CB TRP A 59 2.253 -7.861 0.273 1.00 31.43 C ATOM 919 CG TRP A 59 0.918 -7.222 0.462 1.00 65.45 C ATOM 920 CD1 TRP A 59 0.138 -7.338 1.557 1.00 13.12 C ATOM 921 CD2 TRP A 59 0.260 -6.254 -0.401 1.00 42.12 C ATOM 922 NE1 TRP A 59 -0.970 -6.525 1.426 1.00 25.41 N ATOM 923 CE2 TRP A 59 -0.953 -5.843 0.227 1.00 42.12 C ATOM 924 CE3 TRP A 59 0.585 -5.672 -1.645 1.00 21.11 C ATOM 925 CZ2 TRP A 59 -1.805 -4.902 -0.364 1.00 10.53 C ATOM 926 CZ3 TRP A 59 -0.262 -4.720 -2.237 1.00 65.25 C ATOM 927 CH2 TRP A 59 -1.452 -4.338 -1.599 1.00 23.32 C ATOM 0 H TRP A 59 4.721 -8.507 0.313 1.00 34.52 H new ATOM 0 HA TRP A 59 3.227 -5.997 0.478 1.00 14.52 H new ATOM 0 HB2 TRP A 59 2.423 -8.031 -0.790 1.00 31.43 H new ATOM 0 HB3 TRP A 59 2.256 -8.838 0.757 1.00 31.43 H new ATOM 0 HD1 TRP A 59 0.349 -7.971 2.407 1.00 13.12 H new ATOM 0 HE1 TRP A 59 -1.707 -6.440 2.126 1.00 25.41 H new ATOM 0 HE3 TRP A 59 1.496 -5.962 -2.148 1.00 21.11 H new ATOM 0 HZ2 TRP A 59 -2.724 -4.614 0.125 1.00 10.53 H new ATOM 0 HZ3 TRP A 59 0.004 -4.280 -3.187 1.00 65.25 H new ATOM 0 HH2 TRP A 59 -2.099 -3.607 -2.061 1.00 23.32 H new ATOM 938 N PRO A 60 3.833 -5.853 3.016 1.00 13.31 N ATOM 939 CA PRO A 60 3.467 -5.618 4.404 1.00 22.42 C ATOM 940 C PRO A 60 1.941 -5.505 4.497 1.00 71.33 C ATOM 941 O PRO A 60 1.290 -4.922 3.624 1.00 45.33 O ATOM 942 CB PRO A 60 4.157 -4.313 4.811 1.00 74.53 C ATOM 943 CG PRO A 60 4.194 -3.533 3.501 1.00 72.51 C ATOM 944 CD PRO A 60 4.376 -4.623 2.451 1.00 63.11 C ATOM 0 HA PRO A 60 3.777 -6.426 5.067 1.00 22.42 H new ATOM 0 HB2 PRO A 60 3.599 -3.783 5.583 1.00 74.53 H new ATOM 0 HB3 PRO A 60 5.157 -4.490 5.206 1.00 74.53 H new ATOM 0 HG2 PRO A 60 3.274 -2.970 3.342 1.00 72.51 H new ATOM 0 HG3 PRO A 60 5.014 -2.815 3.483 1.00 72.51 H new ATOM 0 HD2 PRO A 60 3.858 -4.361 1.529 1.00 63.11 H new ATOM 0 HD3 PRO A 60 5.430 -4.746 2.201 1.00 63.11 H new ATOM 952 N LEU A 61 1.362 -6.102 5.530 1.00 64.21 N ATOM 953 CA LEU A 61 0.015 -5.810 5.989 1.00 33.02 C ATOM 954 C LEU A 61 0.018 -4.396 6.555 1.00 61.24 C ATOM 955 O LEU A 61 0.854 -4.075 7.396 1.00 54.32 O ATOM 956 CB LEU A 61 -0.400 -6.830 7.065 1.00 42.41 C ATOM 957 CG LEU A 61 -0.970 -8.157 6.524 1.00 73.33 C ATOM 958 CD1 LEU A 61 -0.386 -8.651 5.197 1.00 21.03 C ATOM 959 CD2 LEU A 61 -0.764 -9.283 7.539 1.00 14.22 C ATOM 0 H LEU A 61 1.829 -6.820 6.084 1.00 64.21 H new ATOM 0 HA LEU A 61 -0.701 -5.880 5.170 1.00 33.02 H new ATOM 0 HB2 LEU A 61 0.467 -7.052 7.687 1.00 42.41 H new ATOM 0 HB3 LEU A 61 -1.146 -6.369 7.712 1.00 42.41 H new ATOM 0 HG LEU A 61 -2.020 -7.922 6.349 1.00 73.33 H new ATOM 0 HD11 LEU A 61 -0.862 -9.591 4.917 1.00 21.03 H new ATOM 0 HD12 LEU A 61 -0.566 -7.907 4.421 1.00 21.03 H new ATOM 0 HD13 LEU A 61 0.687 -8.807 5.307 1.00 21.03 H new ATOM 0 HD21 LEU A 61 -1.172 -10.212 7.140 1.00 14.22 H new ATOM 0 HD22 LEU A 61 0.301 -9.408 7.732 1.00 14.22 H new ATOM 0 HD23 LEU A 61 -1.274 -9.032 8.469 1.00 14.22 H new ATOM 971 N LEU A 62 -0.912 -3.566 6.091 1.00 73.05 N ATOM 972 CA LEU A 62 -1.213 -2.267 6.692 1.00 5.53 C ATOM 973 C LEU A 62 -2.478 -2.415 7.538 1.00 4.31 C ATOM 974 O LEU A 62 -3.192 -3.414 7.397 1.00 34.01 O ATOM 975 CB LEU A 62 -1.440 -1.193 5.607 1.00 5.41 C ATOM 976 CG LEU A 62 -0.317 -1.036 4.563 1.00 63.24 C ATOM 977 CD1 LEU A 62 -0.681 0.087 3.582 1.00 23.23 C ATOM 978 CD2 LEU A 62 1.038 -0.734 5.207 1.00 71.31 C ATOM 0 H LEU A 62 -1.487 -3.778 5.276 1.00 73.05 H new ATOM 0 HA LEU A 62 -0.370 -1.950 7.307 1.00 5.53 H new ATOM 0 HB2 LEU A 62 -2.366 -1.426 5.082 1.00 5.41 H new ATOM 0 HB3 LEU A 62 -1.586 -0.232 6.101 1.00 5.41 H new ATOM 0 HG LEU A 62 -0.225 -1.986 4.036 1.00 63.24 H new ATOM 0 HD11 LEU A 62 0.114 0.197 2.844 1.00 23.23 H new ATOM 0 HD12 LEU A 62 -1.614 -0.160 3.076 1.00 23.23 H new ATOM 0 HD13 LEU A 62 -0.801 1.023 4.128 1.00 23.23 H new ATOM 0 HD21 LEU A 62 1.796 -0.632 4.430 1.00 71.31 H new ATOM 0 HD22 LEU A 62 0.973 0.195 5.774 1.00 71.31 H new ATOM 0 HD23 LEU A 62 1.312 -1.549 5.877 1.00 71.31 H new ATOM 990 N ASP A 63 -2.818 -1.389 8.318 1.00 31.00 N ATOM 991 CA ASP A 63 -4.148 -1.132 8.882 1.00 61.34 C ATOM 992 C ASP A 63 -4.390 0.375 8.790 1.00 2.22 C ATOM 993 O ASP A 63 -3.620 1.118 8.174 1.00 70.35 O ATOM 994 CB ASP A 63 -4.284 -1.635 10.335 1.00 5.33 C ATOM 995 CG ASP A 63 -5.719 -1.944 10.803 1.00 73.04 C ATOM 996 OD1 ASP A 63 -6.700 -1.418 10.235 1.00 10.44 O ATOM 997 OD2 ASP A 63 -5.879 -2.666 11.812 1.00 32.20 O ATOM 0 H ASP A 63 -2.140 -0.677 8.589 1.00 31.00 H new ATOM 0 HA ASP A 63 -4.899 -1.683 8.317 1.00 61.34 H new ATOM 0 HB2 ASP A 63 -3.683 -2.538 10.445 1.00 5.33 H new ATOM 0 HB3 ASP A 63 -3.858 -0.885 11.001 1.00 5.33 H new ATOM 1002 N SER A 64 -5.438 0.838 9.457 1.00 31.13 N ATOM 1003 CA SER A 64 -5.909 2.213 9.511 1.00 71.31 C ATOM 1004 C SER A 64 -4.827 3.167 10.043 1.00 64.11 C ATOM 1005 O SER A 64 -4.924 4.380 9.871 1.00 52.14 O ATOM 1006 CB SER A 64 -7.201 2.257 10.343 1.00 62.05 C ATOM 1007 OG SER A 64 -7.932 3.449 10.114 1.00 23.10 O ATOM 0 H SER A 64 -6.023 0.216 10.015 1.00 31.13 H new ATOM 0 HA SER A 64 -6.131 2.564 8.503 1.00 71.31 H new ATOM 0 HB2 SER A 64 -7.822 1.396 10.096 1.00 62.05 H new ATOM 0 HB3 SER A 64 -6.955 2.179 11.402 1.00 62.05 H new ATOM 0 HG SER A 64 -8.747 3.442 10.658 1.00 23.10 H new ATOM 1013 N GLU A 65 -3.754 2.649 10.644 1.00 33.20 N ATOM 1014 CA GLU A 65 -2.556 3.395 11.010 1.00 22.33 C ATOM 1015 C GLU A 65 -1.811 4.014 9.820 1.00 12.33 C ATOM 1016 O GLU A 65 -1.042 4.956 10.020 1.00 25.42 O ATOM 1017 CB GLU A 65 -1.615 2.487 11.803 1.00 70.33 C ATOM 1018 CG GLU A 65 -1.044 1.306 11.011 1.00 70.25 C ATOM 1019 CD GLU A 65 -0.133 0.451 11.889 1.00 2.23 C ATOM 1020 OE1 GLU A 65 1.095 0.707 11.904 1.00 24.23 O ATOM 1021 OE2 GLU A 65 -0.652 -0.523 12.486 1.00 72.42 O ATOM 0 H GLU A 65 -3.697 1.662 10.897 1.00 33.20 H new ATOM 0 HA GLU A 65 -2.890 4.235 11.618 1.00 22.33 H new ATOM 0 HB2 GLU A 65 -0.787 3.087 12.182 1.00 70.33 H new ATOM 0 HB3 GLU A 65 -2.151 2.100 12.670 1.00 70.33 H new ATOM 0 HG2 GLU A 65 -1.859 0.695 10.623 1.00 70.25 H new ATOM 0 HG3 GLU A 65 -0.485 1.676 10.151 1.00 70.25 H new ATOM 1028 N THR A 66 -2.040 3.519 8.605 1.00 1.52 N ATOM 1029 CA THR A 66 -1.489 4.076 7.365 1.00 10.11 C ATOM 1030 C THR A 66 -2.585 4.544 6.389 1.00 31.22 C ATOM 1031 O THR A 66 -2.286 5.054 5.313 1.00 44.45 O ATOM 1032 CB THR A 66 -0.553 3.064 6.677 1.00 53.22 C ATOM 1033 OG1 THR A 66 0.033 2.119 7.555 1.00 41.22 O ATOM 1034 CG2 THR A 66 0.588 3.795 5.972 1.00 44.15 C ATOM 0 H THR A 66 -2.628 2.700 8.449 1.00 1.52 H new ATOM 0 HA THR A 66 -0.912 4.957 7.647 1.00 10.11 H new ATOM 0 HB THR A 66 -1.192 2.523 5.979 1.00 53.22 H new ATOM 0 HG1 THR A 66 0.909 1.849 7.208 1.00 41.22 H new ATOM 0 HG21 THR A 66 1.242 3.069 5.490 1.00 44.15 H new ATOM 0 HG22 THR A 66 0.178 4.470 5.220 1.00 44.15 H new ATOM 0 HG23 THR A 66 1.159 4.369 6.702 1.00 44.15 H new ATOM 1042 N MET A 67 -3.860 4.364 6.740 1.00 25.24 N ATOM 1043 CA MET A 67 -5.006 4.739 5.907 1.00 41.53 C ATOM 1044 C MET A 67 -5.697 6.008 6.423 1.00 13.51 C ATOM 1045 O MET A 67 -6.687 6.461 5.835 1.00 64.44 O ATOM 1046 CB MET A 67 -5.960 3.541 5.800 1.00 31.24 C ATOM 1047 CG MET A 67 -6.944 3.578 4.622 1.00 45.13 C ATOM 1048 SD MET A 67 -6.253 3.647 2.942 1.00 30.00 S ATOM 1049 CE MET A 67 -5.470 2.013 2.854 1.00 23.32 C ATOM 0 H MET A 67 -4.131 3.945 7.630 1.00 25.24 H new ATOM 0 HA MET A 67 -4.658 4.990 4.905 1.00 41.53 H new ATOM 0 HB2 MET A 67 -5.365 2.631 5.724 1.00 31.24 H new ATOM 0 HB3 MET A 67 -6.532 3.471 6.725 1.00 31.24 H new ATOM 0 HG2 MET A 67 -7.578 2.694 4.687 1.00 45.13 H new ATOM 0 HG3 MET A 67 -7.592 4.445 4.754 1.00 45.13 H new ATOM 0 HE1 MET A 67 -5.056 1.861 1.857 1.00 23.32 H new ATOM 0 HE2 MET A 67 -4.670 1.953 3.592 1.00 23.32 H new ATOM 0 HE3 MET A 67 -6.213 1.242 3.060 1.00 23.32 H new ATOM 1059 N LYS A 68 -5.215 6.595 7.526 1.00 53.34 N ATOM 1060 CA LYS A 68 -5.775 7.840 8.034 1.00 61.14 C ATOM 1061 C LYS A 68 -5.289 9.016 7.193 1.00 63.43 C ATOM 1062 O LYS A 68 -4.249 8.942 6.533 1.00 11.51 O ATOM 1063 CB LYS A 68 -5.505 8.010 9.540 1.00 31.31 C ATOM 1064 CG LYS A 68 -4.091 8.410 9.999 1.00 63.21 C ATOM 1065 CD LYS A 68 -3.232 7.247 10.524 1.00 5.54 C ATOM 1066 CE LYS A 68 -3.522 6.868 11.984 1.00 23.10 C ATOM 1067 NZ LYS A 68 -4.736 6.047 12.170 1.00 33.33 N ATOM 0 H LYS A 68 -4.441 6.224 8.077 1.00 53.34 H new ATOM 0 HA LYS A 68 -6.860 7.807 7.937 1.00 61.14 H new ATOM 0 HB2 LYS A 68 -6.199 8.761 9.917 1.00 31.31 H new ATOM 0 HB3 LYS A 68 -5.757 7.069 10.029 1.00 31.31 H new ATOM 0 HG2 LYS A 68 -3.572 8.879 9.163 1.00 63.21 H new ATOM 0 HG3 LYS A 68 -4.178 9.162 10.783 1.00 63.21 H new ATOM 0 HD2 LYS A 68 -3.396 6.374 9.893 1.00 5.54 H new ATOM 0 HD3 LYS A 68 -2.180 7.515 10.431 1.00 5.54 H new ATOM 0 HE2 LYS A 68 -2.666 6.324 12.383 1.00 23.10 H new ATOM 0 HE3 LYS A 68 -3.622 7.781 12.571 1.00 23.10 H new ATOM 0 HZ1 LYS A 68 -4.642 5.480 13.037 1.00 33.33 H new ATOM 0 HZ2 LYS A 68 -5.566 6.668 12.251 1.00 33.33 H new ATOM 0 HZ3 LYS A 68 -4.856 5.414 11.353 1.00 33.33 H new ATOM 1081 N GLU A 69 -6.012 10.124 7.266 1.00 63.14 N ATOM 1082 CA GLU A 69 -5.655 11.384 6.656 1.00 74.22 C ATOM 1083 C GLU A 69 -5.326 12.372 7.754 1.00 41.11 C ATOM 1084 O GLU A 69 -6.189 12.682 8.584 1.00 64.45 O ATOM 1085 CB GLU A 69 -6.843 11.896 5.833 1.00 45.51 C ATOM 1086 CG GLU A 69 -7.239 11.072 4.598 1.00 64.32 C ATOM 1087 CD GLU A 69 -8.730 10.716 4.556 1.00 34.20 C ATOM 1088 OE1 GLU A 69 -9.580 11.586 4.886 1.00 62.34 O ATOM 1089 OE2 GLU A 69 -9.057 9.573 4.155 1.00 72.34 O ATOM 0 H GLU A 69 -6.896 10.165 7.773 1.00 63.14 H new ATOM 0 HA GLU A 69 -4.793 11.261 6.001 1.00 74.22 H new ATOM 0 HB2 GLU A 69 -7.710 11.959 6.491 1.00 45.51 H new ATOM 0 HB3 GLU A 69 -6.617 12.911 5.506 1.00 45.51 H new ATOM 0 HG2 GLU A 69 -6.981 11.632 3.699 1.00 64.32 H new ATOM 0 HG3 GLU A 69 -6.653 10.153 4.580 1.00 64.32 H new ATOM 1096 N GLU A 70 -4.101 12.892 7.746 1.00 14.31 N ATOM 1097 CA GLU A 70 -3.719 14.021 8.567 1.00 41.15 C ATOM 1098 C GLU A 70 -2.847 14.966 7.736 1.00 62.01 C ATOM 1099 O GLU A 70 -2.496 14.658 6.589 1.00 54.13 O ATOM 1100 CB GLU A 70 -3.081 13.540 9.872 1.00 61.24 C ATOM 1101 CG GLU A 70 -1.561 13.476 9.898 1.00 5.00 C ATOM 1102 CD GLU A 70 -1.086 12.951 11.249 1.00 71.22 C ATOM 1103 OE1 GLU A 70 -1.014 11.719 11.431 1.00 21.42 O ATOM 1104 OE2 GLU A 70 -0.797 13.785 12.138 1.00 22.31 O ATOM 0 H GLU A 70 -3.345 12.534 7.162 1.00 14.31 H new ATOM 0 HA GLU A 70 -4.591 14.597 8.877 1.00 41.15 H new ATOM 0 HB2 GLU A 70 -3.409 14.199 10.676 1.00 61.24 H new ATOM 0 HB3 GLU A 70 -3.469 12.546 10.096 1.00 61.24 H new ATOM 0 HG2 GLU A 70 -1.202 12.827 9.099 1.00 5.00 H new ATOM 0 HG3 GLU A 70 -1.144 14.466 9.716 1.00 5.00 H new ATOM 1111 N ARG A 71 -2.541 16.149 8.267 1.00 13.51 N ATOM 1112 CA ARG A 71 -1.727 17.144 7.602 1.00 70.45 C ATOM 1113 C ARG A 71 -0.955 17.913 8.663 1.00 13.13 C ATOM 1114 O ARG A 71 -1.551 18.731 9.373 1.00 62.35 O ATOM 1115 CB ARG A 71 -2.628 18.015 6.715 1.00 14.42 C ATOM 1116 CG ARG A 71 -1.810 18.770 5.678 1.00 45.11 C ATOM 1117 CD ARG A 71 -1.232 20.100 6.179 1.00 52.12 C ATOM 1118 NE ARG A 71 -1.224 21.105 5.102 1.00 74.02 N ATOM 1119 CZ ARG A 71 -2.280 21.832 4.705 1.00 33.23 C ATOM 1120 NH1 ARG A 71 -3.431 21.777 5.373 1.00 24.21 N ATOM 1121 NH2 ARG A 71 -2.182 22.612 3.637 1.00 63.41 N ATOM 0 H ARG A 71 -2.862 16.440 9.190 1.00 13.51 H new ATOM 0 HA ARG A 71 -0.988 16.700 6.935 1.00 70.45 H new ATOM 0 HB2 ARG A 71 -3.366 17.388 6.215 1.00 14.42 H new ATOM 0 HB3 ARG A 71 -3.178 18.723 7.334 1.00 14.42 H new ATOM 0 HG2 ARG A 71 -0.991 18.133 5.344 1.00 45.11 H new ATOM 0 HG3 ARG A 71 -2.437 18.964 4.808 1.00 45.11 H new ATOM 0 HD2 ARG A 71 -1.823 20.465 7.019 1.00 52.12 H new ATOM 0 HD3 ARG A 71 -0.217 19.946 6.546 1.00 52.12 H new ATOM 0 HE ARG A 71 -0.341 21.262 4.617 1.00 74.02 H new ATOM 0 HH11 ARG A 71 -3.516 21.178 6.195 1.00 24.21 H new ATOM 0 HH12 ARG A 71 -4.228 22.334 5.063 1.00 24.21 H new ATOM 0 HH21 ARG A 71 -1.305 22.659 3.118 1.00 63.41 H new ATOM 0 HH22 ARG A 71 -2.984 23.165 3.334 1.00 63.41 H new ATOM 1135 N ILE A 72 0.324 17.588 8.828 1.00 70.33 N ATOM 1136 CA ILE A 72 1.217 18.170 9.832 1.00 54.33 C ATOM 1137 C ILE A 72 1.896 19.397 9.215 1.00 10.04 C ATOM 1138 O ILE A 72 2.022 19.499 7.994 1.00 23.30 O ATOM 1139 CB ILE A 72 2.243 17.109 10.306 1.00 23.44 C ATOM 1140 CG1 ILE A 72 1.527 15.845 10.848 1.00 25.23 C ATOM 1141 CG2 ILE A 72 3.219 17.624 11.383 1.00 5.34 C ATOM 1142 CD1 ILE A 72 1.593 14.669 9.871 1.00 50.24 C ATOM 0 H ILE A 72 0.786 16.888 8.247 1.00 70.33 H new ATOM 0 HA ILE A 72 0.659 18.486 10.713 1.00 54.33 H new ATOM 0 HB ILE A 72 2.829 16.866 9.420 1.00 23.44 H new ATOM 0 HG12 ILE A 72 1.981 15.552 11.795 1.00 25.23 H new ATOM 0 HG13 ILE A 72 0.484 16.083 11.055 1.00 25.23 H new ATOM 0 HG21 ILE A 72 3.906 16.825 11.664 1.00 5.34 H new ATOM 0 HG22 ILE A 72 3.785 18.467 10.987 1.00 5.34 H new ATOM 0 HG23 ILE A 72 2.657 17.944 12.260 1.00 5.34 H new ATOM 0 HD11 ILE A 72 1.077 13.810 10.300 1.00 50.24 H new ATOM 0 HD12 ILE A 72 1.115 14.949 8.932 1.00 50.24 H new ATOM 0 HD13 ILE A 72 2.635 14.409 9.684 1.00 50.24 H new ATOM 1154 N THR A 73 2.352 20.325 10.054 1.00 5.10 N ATOM 1155 CA THR A 73 3.122 21.484 9.657 1.00 71.41 C ATOM 1156 C THR A 73 4.298 21.649 10.628 1.00 64.33 C ATOM 1157 O THR A 73 4.125 21.646 11.854 1.00 10.02 O ATOM 1158 CB THR A 73 2.134 22.649 9.560 1.00 52.43 C ATOM 1159 OG1 THR A 73 2.681 23.703 8.802 1.00 54.15 O ATOM 1160 CG2 THR A 73 1.613 23.191 10.890 1.00 53.01 C ATOM 0 H THR A 73 2.186 20.282 11.059 1.00 5.10 H new ATOM 0 HA THR A 73 3.598 21.406 8.680 1.00 71.41 H new ATOM 0 HB THR A 73 1.264 22.220 9.063 1.00 52.43 H new ATOM 0 HG1 THR A 73 2.035 24.438 8.749 1.00 54.15 H new ATOM 0 HG21 THR A 73 0.922 24.013 10.702 1.00 53.01 H new ATOM 0 HG22 THR A 73 1.096 22.397 11.429 1.00 53.01 H new ATOM 0 HG23 THR A 73 2.450 23.551 11.489 1.00 53.01 H new ATOM 1168 N GLN A 74 5.511 21.698 10.080 1.00 51.24 N ATOM 1169 CA GLN A 74 6.782 21.708 10.786 1.00 62.13 C ATOM 1170 C GLN A 74 7.453 23.070 10.536 1.00 32.13 C ATOM 1171 O GLN A 74 6.776 24.033 10.149 1.00 30.12 O ATOM 1172 CB GLN A 74 7.594 20.475 10.328 1.00 4.42 C ATOM 1173 CG GLN A 74 6.785 19.169 10.415 1.00 71.41 C ATOM 1174 CD GLN A 74 7.532 17.929 9.919 1.00 13.21 C ATOM 1175 OE1 GLN A 74 8.459 18.004 9.122 1.00 10.40 O ATOM 1176 NE2 GLN A 74 7.117 16.750 10.329 1.00 72.12 N ATOM 0 H GLN A 74 5.635 21.734 9.068 1.00 51.24 H new ATOM 0 HA GLN A 74 6.682 21.616 11.867 1.00 62.13 H new ATOM 0 HB2 GLN A 74 7.926 20.624 9.301 1.00 4.42 H new ATOM 0 HB3 GLN A 74 8.489 20.385 10.943 1.00 4.42 H new ATOM 0 HG2 GLN A 74 6.487 19.009 11.451 1.00 71.41 H new ATOM 0 HG3 GLN A 74 5.870 19.283 9.834 1.00 71.41 H new ATOM 0 HE21 GLN A 74 6.345 16.683 10.993 1.00 72.12 H new ATOM 0 HE22 GLN A 74 7.567 15.902 9.983 1.00 72.12 H new ATOM 1185 N GLU A 75 8.745 23.215 10.840 1.00 63.14 N ATOM 1186 CA GLU A 75 9.495 24.434 10.523 1.00 71.55 C ATOM 1187 C GLU A 75 10.920 24.096 10.061 1.00 2.41 C ATOM 1188 O GLU A 75 11.436 24.658 9.093 1.00 54.04 O ATOM 1189 CB GLU A 75 9.339 25.436 11.665 1.00 1.44 C ATOM 1190 CG GLU A 75 10.526 25.347 12.573 1.00 10.01 C ATOM 1191 CD GLU A 75 10.458 26.256 13.793 1.00 63.42 C ATOM 1192 OE1 GLU A 75 9.925 25.800 14.827 1.00 72.34 O ATOM 1193 OE2 GLU A 75 10.983 27.391 13.728 1.00 31.30 O ATOM 0 H GLU A 75 9.298 22.497 11.309 1.00 63.14 H new ATOM 0 HA GLU A 75 9.084 24.951 9.656 1.00 71.55 H new ATOM 0 HB2 GLU A 75 9.248 26.446 11.266 1.00 1.44 H new ATOM 0 HB3 GLU A 75 8.425 25.229 12.222 1.00 1.44 H new ATOM 0 HG2 GLU A 75 10.633 24.316 12.910 1.00 10.01 H new ATOM 0 HG3 GLU A 75 11.422 25.591 12.003 1.00 10.01 H new ATOM 1200 N GLU A 76 11.519 23.139 10.755 1.00 11.22 N ATOM 1201 CA GLU A 76 12.749 22.447 10.435 1.00 70.12 C ATOM 1202 C GLU A 76 12.258 21.074 9.996 1.00 1.20 C ATOM 1203 O GLU A 76 12.256 20.118 10.778 1.00 51.14 O ATOM 1204 CB GLU A 76 13.660 22.352 11.671 1.00 54.45 C ATOM 1205 CG GLU A 76 14.090 23.694 12.268 1.00 11.44 C ATOM 1206 CD GLU A 76 15.168 23.508 13.343 1.00 44.13 C ATOM 1207 OE1 GLU A 76 15.049 22.606 14.211 1.00 30.32 O ATOM 1208 OE2 GLU A 76 16.146 24.289 13.352 1.00 31.52 O ATOM 0 H GLU A 76 11.119 22.802 11.630 1.00 11.22 H new ATOM 0 HA GLU A 76 13.348 22.948 9.675 1.00 70.12 H new ATOM 0 HB2 GLU A 76 13.143 21.779 12.441 1.00 54.45 H new ATOM 0 HB3 GLU A 76 14.554 21.789 11.401 1.00 54.45 H new ATOM 0 HG2 GLU A 76 14.470 24.341 11.477 1.00 11.44 H new ATOM 0 HG3 GLU A 76 13.225 24.195 12.701 1.00 11.44 H new ATOM 1215 N GLY A 77 11.666 21.012 8.809 1.00 53.44 N ATOM 1216 CA GLY A 77 10.942 19.837 8.370 1.00 34.53 C ATOM 1217 C GLY A 77 10.231 20.120 7.061 1.00 70.32 C ATOM 1218 O GLY A 77 10.844 20.686 6.158 1.00 43.32 O ATOM 0 H GLY A 77 11.677 21.774 8.131 1.00 53.44 H new ATOM 0 HA2 GLY A 77 11.631 19.002 8.245 1.00 34.53 H new ATOM 0 HA3 GLY A 77 10.218 19.542 9.129 1.00 34.53 H new ATOM 1222 N GLY A 78 8.971 19.715 6.944 1.00 11.02 N ATOM 1223 CA GLY A 78 8.121 19.940 5.795 1.00 54.45 C ATOM 1224 C GLY A 78 6.657 19.760 6.164 1.00 32.34 C ATOM 1225 O GLY A 78 6.306 19.421 7.297 1.00 73.11 O ATOM 0 H GLY A 78 8.499 19.198 7.685 1.00 11.02 H new ATOM 0 HA2 GLY A 78 8.282 20.946 5.409 1.00 54.45 H new ATOM 0 HA3 GLY A 78 8.388 19.246 4.998 1.00 54.45 H new ATOM 1229 N ILE A 79 5.786 19.926 5.173 1.00 51.14 N ATOM 1230 CA ILE A 79 4.355 19.740 5.339 1.00 50.42 C ATOM 1231 C ILE A 79 4.018 18.300 4.986 1.00 44.12 C ATOM 1232 O ILE A 79 3.864 17.985 3.815 1.00 64.12 O ATOM 1233 CB ILE A 79 3.587 20.832 4.552 1.00 72.25 C ATOM 1234 CG1 ILE A 79 3.950 22.238 5.096 1.00 24.13 C ATOM 1235 CG2 ILE A 79 2.065 20.620 4.626 1.00 14.42 C ATOM 1236 CD1 ILE A 79 3.396 23.398 4.261 1.00 24.54 C ATOM 0 H ILE A 79 6.059 20.195 4.228 1.00 51.14 H new ATOM 0 HA ILE A 79 4.031 19.878 6.371 1.00 50.42 H new ATOM 0 HB ILE A 79 3.886 20.758 3.507 1.00 72.25 H new ATOM 0 HG12 ILE A 79 3.576 22.328 6.116 1.00 24.13 H new ATOM 0 HG13 ILE A 79 5.035 22.327 5.146 1.00 24.13 H new ATOM 0 HG21 ILE A 79 1.560 21.405 4.063 1.00 14.42 H new ATOM 0 HG22 ILE A 79 1.812 19.649 4.201 1.00 14.42 H new ATOM 0 HG23 ILE A 79 1.743 20.656 5.667 1.00 14.42 H new ATOM 0 HD11 ILE A 79 3.695 24.345 4.710 1.00 24.54 H new ATOM 0 HD12 ILE A 79 3.790 23.337 3.247 1.00 24.54 H new ATOM 0 HD13 ILE A 79 2.308 23.338 4.232 1.00 24.54 H new ATOM 1248 N TYR A 80 3.962 17.412 5.977 1.00 72.14 N ATOM 1249 CA TYR A 80 3.543 16.031 5.762 1.00 33.32 C ATOM 1250 C TYR A 80 2.039 16.029 5.500 1.00 22.10 C ATOM 1251 O TYR A 80 1.275 16.610 6.278 1.00 10.11 O ATOM 1252 CB TYR A 80 3.890 15.176 6.981 1.00 10.24 C ATOM 1253 CG TYR A 80 3.766 13.676 6.778 1.00 41.22 C ATOM 1254 CD1 TYR A 80 2.532 13.023 6.966 1.00 3.21 C ATOM 1255 CD2 TYR A 80 4.908 12.918 6.456 1.00 13.43 C ATOM 1256 CE1 TYR A 80 2.452 11.622 6.881 1.00 53.14 C ATOM 1257 CE2 TYR A 80 4.834 11.518 6.361 1.00 63.13 C ATOM 1258 CZ TYR A 80 3.604 10.861 6.585 1.00 22.23 C ATOM 1259 OH TYR A 80 3.517 9.503 6.538 1.00 45.04 O ATOM 0 H TYR A 80 4.204 17.628 6.944 1.00 72.14 H new ATOM 0 HA TYR A 80 4.065 15.604 4.906 1.00 33.32 H new ATOM 0 HB2 TYR A 80 4.913 15.402 7.283 1.00 10.24 H new ATOM 0 HB3 TYR A 80 3.241 15.469 7.806 1.00 10.24 H new ATOM 0 HD1 TYR A 80 1.644 13.601 7.176 1.00 3.21 H new ATOM 0 HD2 TYR A 80 5.849 13.417 6.280 1.00 13.43 H new ATOM 0 HE1 TYR A 80 1.506 11.126 7.043 1.00 53.14 H new ATOM 0 HE2 TYR A 80 5.716 10.945 6.117 1.00 63.13 H new ATOM 0 HH TYR A 80 4.395 9.126 6.321 1.00 45.04 H new ATOM 1269 N VAL A 81 1.600 15.367 4.435 1.00 10.10 N ATOM 1270 CA VAL A 81 0.199 15.216 4.073 1.00 44.32 C ATOM 1271 C VAL A 81 -0.096 13.716 4.005 1.00 2.12 C ATOM 1272 O VAL A 81 0.790 12.889 3.789 1.00 22.23 O ATOM 1273 CB VAL A 81 -0.078 15.944 2.731 1.00 4.32 C ATOM 1274 CG1 VAL A 81 -1.580 15.985 2.411 1.00 61.25 C ATOM 1275 CG2 VAL A 81 0.412 17.403 2.719 1.00 72.01 C ATOM 0 H VAL A 81 2.232 14.906 3.780 1.00 10.10 H new ATOM 0 HA VAL A 81 -0.462 15.671 4.811 1.00 44.32 H new ATOM 0 HB VAL A 81 0.472 15.366 1.989 1.00 4.32 H new ATOM 0 HG11 VAL A 81 -1.736 16.502 1.464 1.00 61.25 H new ATOM 0 HG12 VAL A 81 -1.964 14.968 2.336 1.00 61.25 H new ATOM 0 HG13 VAL A 81 -2.107 16.514 3.205 1.00 61.25 H new ATOM 0 HG21 VAL A 81 0.188 17.854 1.752 1.00 72.01 H new ATOM 0 HG22 VAL A 81 -0.092 17.963 3.507 1.00 72.01 H new ATOM 0 HG23 VAL A 81 1.488 17.427 2.889 1.00 72.01 H new ATOM 1285 N SER A 82 -1.351 13.332 4.190 1.00 74.35 N ATOM 1286 CA SER A 82 -1.877 12.055 3.723 1.00 41.53 C ATOM 1287 C SER A 82 -3.310 12.312 3.283 1.00 32.11 C ATOM 1288 O SER A 82 -4.144 12.623 4.142 1.00 5.52 O ATOM 1289 CB SER A 82 -1.785 10.998 4.832 1.00 32.42 C ATOM 1290 OG SER A 82 -0.478 10.961 5.379 1.00 5.30 O ATOM 0 H SER A 82 -2.042 13.905 4.675 1.00 74.35 H new ATOM 0 HA SER A 82 -1.299 11.660 2.888 1.00 41.53 H new ATOM 0 HB2 SER A 82 -2.507 11.223 5.617 1.00 32.42 H new ATOM 0 HB3 SER A 82 -2.045 10.018 4.431 1.00 32.42 H new ATOM 0 HG SER A 82 0.126 11.491 4.819 1.00 5.30 H new ATOM 1296 N LYS A 83 -3.591 12.315 1.975 1.00 72.31 N ATOM 1297 CA LYS A 83 -4.943 12.485 1.438 1.00 4.42 C ATOM 1298 C LYS A 83 -5.119 11.618 0.192 1.00 64.32 C ATOM 1299 O LYS A 83 -4.194 10.966 -0.287 1.00 2.44 O ATOM 1300 CB LYS A 83 -5.262 13.973 1.160 1.00 5.44 C ATOM 1301 CG LYS A 83 -5.218 14.822 2.444 1.00 1.42 C ATOM 1302 CD LYS A 83 -5.814 16.226 2.362 1.00 24.41 C ATOM 1303 CE LYS A 83 -5.013 17.162 1.465 1.00 42.14 C ATOM 1304 NZ LYS A 83 -5.867 18.273 1.002 1.00 3.20 N ATOM 0 H LYS A 83 -2.879 12.198 1.254 1.00 72.31 H new ATOM 0 HA LYS A 83 -5.661 12.153 2.188 1.00 4.42 H new ATOM 0 HB2 LYS A 83 -4.547 14.369 0.439 1.00 5.44 H new ATOM 0 HB3 LYS A 83 -6.250 14.053 0.706 1.00 5.44 H new ATOM 0 HG2 LYS A 83 -5.740 14.277 3.230 1.00 1.42 H new ATOM 0 HG3 LYS A 83 -4.178 14.912 2.756 1.00 1.42 H new ATOM 0 HD2 LYS A 83 -6.836 16.160 1.988 1.00 24.41 H new ATOM 0 HD3 LYS A 83 -5.868 16.651 3.364 1.00 24.41 H new ATOM 0 HE2 LYS A 83 -4.155 17.555 2.010 1.00 42.14 H new ATOM 0 HE3 LYS A 83 -4.622 16.612 0.609 1.00 42.14 H new ATOM 0 HZ1 LYS A 83 -5.312 18.906 0.391 1.00 3.20 H new ATOM 0 HZ2 LYS A 83 -6.672 17.892 0.465 1.00 3.20 H new ATOM 0 HZ3 LYS A 83 -6.219 18.805 1.823 1.00 3.20 H new ATOM 1318 N PHE A 84 -6.344 11.541 -0.319 1.00 23.32 N ATOM 1319 CA PHE A 84 -6.588 11.024 -1.659 1.00 25.21 C ATOM 1320 C PHE A 84 -6.264 12.132 -2.658 1.00 53.32 C ATOM 1321 O PHE A 84 -6.581 13.294 -2.397 1.00 51.34 O ATOM 1322 CB PHE A 84 -8.043 10.548 -1.786 1.00 41.55 C ATOM 1323 CG PHE A 84 -9.081 11.554 -1.318 1.00 30.31 C ATOM 1324 CD1 PHE A 84 -9.585 12.526 -2.204 1.00 51.24 C ATOM 1325 CD2 PHE A 84 -9.494 11.557 0.029 1.00 24.24 C ATOM 1326 CE1 PHE A 84 -10.471 13.512 -1.737 1.00 11.20 C ATOM 1327 CE2 PHE A 84 -10.379 12.542 0.495 1.00 41.11 C ATOM 1328 CZ PHE A 84 -10.857 13.526 -0.385 1.00 54.44 C ATOM 0 H PHE A 84 -7.186 11.832 0.178 1.00 23.32 H new ATOM 0 HA PHE A 84 -5.953 10.162 -1.863 1.00 25.21 H new ATOM 0 HB2 PHE A 84 -8.241 10.300 -2.829 1.00 41.55 H new ATOM 0 HB3 PHE A 84 -8.162 9.629 -1.212 1.00 41.55 H new ATOM 0 HD1 PHE A 84 -9.290 12.514 -3.243 1.00 51.24 H new ATOM 0 HD2 PHE A 84 -9.128 10.799 0.706 1.00 24.24 H new ATOM 0 HE1 PHE A 84 -10.855 14.259 -2.416 1.00 11.20 H new ATOM 0 HE2 PHE A 84 -10.692 12.543 1.529 1.00 41.11 H new ATOM 0 HZ PHE A 84 -11.523 14.295 -0.023 1.00 54.44 H new ATOM 1338 N THR A 85 -5.690 11.781 -3.809 1.00 74.42 N ATOM 1339 CA THR A 85 -5.694 12.673 -4.963 1.00 53.41 C ATOM 1340 C THR A 85 -7.031 12.520 -5.697 1.00 2.22 C ATOM 1341 O THR A 85 -7.661 13.519 -6.058 1.00 5.22 O ATOM 1342 CB THR A 85 -4.504 12.381 -5.896 1.00 22.22 C ATOM 1343 OG1 THR A 85 -4.540 11.041 -6.333 1.00 50.23 O ATOM 1344 CG2 THR A 85 -3.165 12.603 -5.194 1.00 64.21 C ATOM 0 H THR A 85 -5.219 10.890 -3.964 1.00 74.42 H new ATOM 0 HA THR A 85 -5.583 13.704 -4.627 1.00 53.41 H new ATOM 0 HB THR A 85 -4.591 13.067 -6.738 1.00 22.22 H new ATOM 0 HG1 THR A 85 -3.779 10.870 -6.926 1.00 50.23 H new ATOM 0 HG21 THR A 85 -2.351 12.386 -5.886 1.00 64.21 H new ATOM 0 HG22 THR A 85 -3.095 13.639 -4.864 1.00 64.21 H new ATOM 0 HG23 THR A 85 -3.093 11.942 -4.331 1.00 64.21 H new ATOM 1352 N LEU A 86 -7.485 11.275 -5.901 1.00 5.40 N ATOM 1353 CA LEU A 86 -8.526 10.927 -6.860 1.00 41.43 C ATOM 1354 C LEU A 86 -9.715 10.289 -6.149 1.00 41.22 C ATOM 1355 O LEU A 86 -9.594 9.591 -5.141 1.00 30.31 O ATOM 1356 CB LEU A 86 -7.911 10.040 -7.960 1.00 2.12 C ATOM 1357 CG LEU A 86 -8.757 9.725 -9.217 1.00 3.24 C ATOM 1358 CD1 LEU A 86 -9.523 8.404 -9.088 1.00 5.20 C ATOM 1359 CD2 LEU A 86 -9.584 10.916 -9.716 1.00 42.15 C ATOM 0 H LEU A 86 -7.126 10.469 -5.389 1.00 5.40 H new ATOM 0 HA LEU A 86 -8.921 11.820 -7.345 1.00 41.43 H new ATOM 0 HB2 LEU A 86 -6.989 10.517 -8.293 1.00 2.12 H new ATOM 0 HB3 LEU A 86 -7.632 9.091 -7.502 1.00 2.12 H new ATOM 0 HG LEU A 86 -8.054 9.556 -10.032 1.00 3.24 H new ATOM 0 HD11 LEU A 86 -10.101 8.228 -9.995 1.00 5.20 H new ATOM 0 HD12 LEU A 86 -8.817 7.586 -8.944 1.00 5.20 H new ATOM 0 HD13 LEU A 86 -10.197 8.456 -8.233 1.00 5.20 H new ATOM 0 HD21 LEU A 86 -10.151 10.621 -10.599 1.00 42.15 H new ATOM 0 HD22 LEU A 86 -10.272 11.235 -8.933 1.00 42.15 H new ATOM 0 HD23 LEU A 86 -8.918 11.740 -9.971 1.00 42.15 H new ATOM 1371 N ASN A 87 -10.886 10.582 -6.690 1.00 31.00 N ATOM 1372 CA ASN A 87 -12.202 10.570 -6.079 1.00 24.42 C ATOM 1373 C ASN A 87 -13.218 10.097 -7.124 1.00 21.22 C ATOM 1374 O ASN A 87 -14.260 10.721 -7.323 1.00 13.31 O ATOM 1375 CB ASN A 87 -12.516 11.997 -5.591 1.00 25.22 C ATOM 1376 CG ASN A 87 -12.541 13.017 -6.732 1.00 30.03 C ATOM 1377 OD1 ASN A 87 -11.550 13.205 -7.431 1.00 53.54 O ATOM 1378 ND2 ASN A 87 -13.640 13.714 -6.955 1.00 71.30 N ATOM 0 H ASN A 87 -10.942 10.863 -7.669 1.00 31.00 H new ATOM 0 HA ASN A 87 -12.245 9.892 -5.227 1.00 24.42 H new ATOM 0 HB2 ASN A 87 -13.481 12.000 -5.085 1.00 25.22 H new ATOM 0 HB3 ASN A 87 -11.770 12.298 -4.856 1.00 25.22 H new ATOM 0 HD21 ASN A 87 -13.662 14.405 -7.705 1.00 71.30 H new ATOM 0 HD22 ASN A 87 -14.467 13.562 -6.377 1.00 71.30 H new ATOM 1385 N GLU A 88 -12.890 9.031 -7.851 1.00 23.42 N ATOM 1386 CA GLU A 88 -13.765 8.425 -8.848 1.00 43.51 C ATOM 1387 C GLU A 88 -14.561 7.285 -8.196 1.00 43.33 C ATOM 1388 O GLU A 88 -14.234 6.836 -7.093 1.00 45.54 O ATOM 1389 CB GLU A 88 -12.923 7.945 -10.053 1.00 74.12 C ATOM 1390 CG GLU A 88 -12.351 9.101 -10.882 1.00 63.24 C ATOM 1391 CD GLU A 88 -13.341 9.950 -11.693 1.00 62.33 C ATOM 1392 OE1 GLU A 88 -14.561 9.958 -11.427 1.00 51.32 O ATOM 1393 OE2 GLU A 88 -12.869 10.688 -12.590 1.00 74.22 O ATOM 0 H GLU A 88 -11.992 8.557 -7.761 1.00 23.42 H new ATOM 0 HA GLU A 88 -14.482 9.155 -9.225 1.00 43.51 H new ATOM 0 HB2 GLU A 88 -12.103 7.324 -9.692 1.00 74.12 H new ATOM 0 HB3 GLU A 88 -13.541 7.316 -10.694 1.00 74.12 H new ATOM 0 HG2 GLU A 88 -11.813 9.766 -10.206 1.00 63.24 H new ATOM 0 HG3 GLU A 88 -11.617 8.688 -11.574 1.00 63.24 H new ATOM 1400 N PRO A 89 -15.626 6.813 -8.860 1.00 63.15 N ATOM 1401 CA PRO A 89 -16.512 5.781 -8.337 1.00 42.43 C ATOM 1402 C PRO A 89 -15.903 4.387 -8.421 1.00 10.52 C ATOM 1403 O PRO A 89 -16.165 3.551 -7.560 1.00 64.43 O ATOM 1404 CB PRO A 89 -17.753 5.861 -9.224 1.00 14.15 C ATOM 1405 CG PRO A 89 -17.245 6.418 -10.551 1.00 30.23 C ATOM 1406 CD PRO A 89 -16.183 7.392 -10.070 1.00 50.30 C ATOM 0 HA PRO A 89 -16.720 5.945 -7.280 1.00 42.43 H new ATOM 0 HB2 PRO A 89 -18.210 4.880 -9.355 1.00 14.15 H new ATOM 0 HB3 PRO A 89 -18.511 6.510 -8.786 1.00 14.15 H new ATOM 0 HG2 PRO A 89 -16.831 5.640 -11.193 1.00 30.23 H new ATOM 0 HG3 PRO A 89 -18.033 6.914 -11.118 1.00 30.23 H new ATOM 0 HD2 PRO A 89 -15.411 7.532 -10.827 1.00 50.30 H new ATOM 0 HD3 PRO A 89 -16.615 8.373 -9.870 1.00 50.30 H new ATOM 1414 N LYS A 90 -15.142 4.130 -9.486 1.00 42.35 N ATOM 1415 CA LYS A 90 -14.651 2.801 -9.871 1.00 3.44 C ATOM 1416 C LYS A 90 -13.119 2.673 -9.761 1.00 70.02 C ATOM 1417 O LYS A 90 -12.574 1.596 -9.995 1.00 71.31 O ATOM 1418 CB LYS A 90 -15.132 2.482 -11.299 1.00 52.42 C ATOM 1419 CG LYS A 90 -15.370 0.979 -11.507 1.00 15.34 C ATOM 1420 CD LYS A 90 -16.805 0.638 -11.922 1.00 44.41 C ATOM 1421 CE LYS A 90 -17.801 0.994 -10.815 1.00 33.10 C ATOM 1422 NZ LYS A 90 -19.179 0.575 -11.166 1.00 1.54 N ATOM 0 H LYS A 90 -14.839 4.864 -10.127 1.00 42.35 H new ATOM 0 HA LYS A 90 -15.061 2.074 -9.170 1.00 3.44 H new ATOM 0 HB2 LYS A 90 -16.055 3.026 -11.500 1.00 52.42 H new ATOM 0 HB3 LYS A 90 -14.392 2.834 -12.017 1.00 52.42 H new ATOM 0 HG2 LYS A 90 -14.683 0.613 -12.270 1.00 15.34 H new ATOM 0 HG3 LYS A 90 -15.132 0.451 -10.584 1.00 15.34 H new ATOM 0 HD2 LYS A 90 -17.061 1.179 -12.833 1.00 44.41 H new ATOM 0 HD3 LYS A 90 -16.877 -0.425 -12.152 1.00 44.41 H new ATOM 0 HE2 LYS A 90 -17.499 0.513 -9.885 1.00 33.10 H new ATOM 0 HE3 LYS A 90 -17.781 2.069 -10.639 1.00 33.10 H new ATOM 0 HZ1 LYS A 90 -19.827 0.832 -10.394 1.00 1.54 H new ATOM 0 HZ2 LYS A 90 -19.475 1.054 -12.040 1.00 1.54 H new ATOM 0 HZ3 LYS A 90 -19.203 -0.455 -11.310 1.00 1.54 H new ATOM 1436 N HIS A 91 -12.434 3.766 -9.412 1.00 72.24 N ATOM 1437 CA HIS A 91 -10.986 3.914 -9.324 1.00 52.12 C ATOM 1438 C HIS A 91 -10.729 4.835 -8.123 1.00 13.23 C ATOM 1439 O HIS A 91 -11.512 5.758 -7.894 1.00 2.22 O ATOM 1440 CB HIS A 91 -10.499 4.581 -10.624 1.00 61.22 C ATOM 1441 CG HIS A 91 -9.015 4.829 -10.777 1.00 43.12 C ATOM 1442 ND1 HIS A 91 -8.453 5.666 -11.717 1.00 50.44 N ATOM 1443 CD2 HIS A 91 -7.980 4.221 -10.113 1.00 51.21 C ATOM 1444 CE1 HIS A 91 -7.122 5.579 -11.603 1.00 22.44 C ATOM 1445 NE2 HIS A 91 -6.787 4.714 -10.638 1.00 45.34 N ATOM 0 H HIS A 91 -12.916 4.631 -9.167 1.00 72.24 H new ATOM 0 HA HIS A 91 -10.466 2.964 -9.199 1.00 52.12 H new ATOM 0 HB2 HIS A 91 -10.823 3.961 -11.460 1.00 61.22 H new ATOM 0 HB3 HIS A 91 -11.010 5.539 -10.721 1.00 61.22 H new ATOM 0 HD2 HIS A 91 -8.073 3.490 -9.323 1.00 51.21 H new ATOM 0 HE1 HIS A 91 -6.416 6.131 -12.206 1.00 22.44 H new ATOM 0 HE2 HIS A 91 -5.843 4.464 -10.344 1.00 45.34 H new ATOM 1453 N LYS A 92 -9.644 4.661 -7.369 1.00 71.24 N ATOM 1454 CA LYS A 92 -9.197 5.631 -6.364 1.00 65.31 C ATOM 1455 C LYS A 92 -7.672 5.619 -6.311 1.00 1.31 C ATOM 1456 O LYS A 92 -7.066 4.602 -6.637 1.00 13.10 O ATOM 1457 CB LYS A 92 -9.809 5.290 -4.984 1.00 63.32 C ATOM 1458 CG LYS A 92 -10.940 6.231 -4.519 1.00 62.42 C ATOM 1459 CD LYS A 92 -12.332 5.576 -4.464 1.00 42.44 C ATOM 1460 CE LYS A 92 -13.455 6.546 -4.041 1.00 72.25 C ATOM 1461 NZ LYS A 92 -13.223 7.211 -2.735 1.00 1.44 N ATOM 0 H LYS A 92 -9.045 3.838 -7.437 1.00 71.24 H new ATOM 0 HA LYS A 92 -9.533 6.632 -6.635 1.00 65.31 H new ATOM 0 HB2 LYS A 92 -10.196 4.271 -5.017 1.00 63.32 H new ATOM 0 HB3 LYS A 92 -9.015 5.306 -4.238 1.00 63.32 H new ATOM 0 HG2 LYS A 92 -10.693 6.614 -3.529 1.00 62.42 H new ATOM 0 HG3 LYS A 92 -10.982 7.088 -5.191 1.00 62.42 H new ATOM 0 HD2 LYS A 92 -12.569 5.164 -5.445 1.00 42.44 H new ATOM 0 HD3 LYS A 92 -12.303 4.740 -3.765 1.00 42.44 H new ATOM 0 HE2 LYS A 92 -13.569 7.310 -4.810 1.00 72.25 H new ATOM 0 HE3 LYS A 92 -14.396 5.997 -3.995 1.00 72.25 H new ATOM 0 HZ1 LYS A 92 -14.027 7.832 -2.514 1.00 1.44 H new ATOM 0 HZ2 LYS A 92 -13.127 6.491 -1.991 1.00 1.44 H new ATOM 0 HZ3 LYS A 92 -12.352 7.777 -2.784 1.00 1.44 H new ATOM 1475 N ILE A 93 -7.071 6.718 -5.850 1.00 13.20 N ATOM 1476 CA ILE A 93 -5.645 6.852 -5.558 1.00 10.30 C ATOM 1477 C ILE A 93 -5.558 7.509 -4.181 1.00 24.10 C ATOM 1478 O ILE A 93 -6.357 8.399 -3.863 1.00 74.14 O ATOM 1479 CB ILE A 93 -4.926 7.689 -6.647 1.00 32.11 C ATOM 1480 CG1 ILE A 93 -4.866 6.965 -8.014 1.00 13.20 C ATOM 1481 CG2 ILE A 93 -3.493 8.075 -6.232 1.00 4.52 C ATOM 1482 CD1 ILE A 93 -5.597 7.692 -9.136 1.00 52.52 C ATOM 0 H ILE A 93 -7.589 7.576 -5.662 1.00 13.20 H new ATOM 0 HA ILE A 93 -5.144 5.884 -5.557 1.00 10.30 H new ATOM 0 HB ILE A 93 -5.528 8.592 -6.753 1.00 32.11 H new ATOM 0 HG12 ILE A 93 -3.822 6.836 -8.299 1.00 13.20 H new ATOM 0 HG13 ILE A 93 -5.292 5.968 -7.904 1.00 13.20 H new ATOM 0 HG21 ILE A 93 -3.029 8.660 -7.026 1.00 4.52 H new ATOM 0 HG22 ILE A 93 -3.526 8.667 -5.317 1.00 4.52 H new ATOM 0 HG23 ILE A 93 -2.909 7.171 -6.059 1.00 4.52 H new ATOM 0 HD11 ILE A 93 -5.507 7.120 -10.059 1.00 52.52 H new ATOM 0 HD12 ILE A 93 -6.650 7.798 -8.875 1.00 52.52 H new ATOM 0 HD13 ILE A 93 -5.157 8.679 -9.277 1.00 52.52 H new ATOM 1494 N PHE A 94 -4.587 7.083 -3.377 1.00 1.44 N ATOM 1495 CA PHE A 94 -4.326 7.572 -2.034 1.00 61.35 C ATOM 1496 C PHE A 94 -2.813 7.751 -1.898 1.00 11.30 C ATOM 1497 O PHE A 94 -2.049 6.899 -2.357 1.00 71.42 O ATOM 1498 CB PHE A 94 -4.945 6.575 -1.042 1.00 74.14 C ATOM 1499 CG PHE A 94 -4.701 6.851 0.428 1.00 63.03 C ATOM 1500 CD1 PHE A 94 -5.064 8.084 1.004 1.00 23.33 C ATOM 1501 CD2 PHE A 94 -4.120 5.855 1.232 1.00 52.13 C ATOM 1502 CE1 PHE A 94 -4.808 8.335 2.366 1.00 43.43 C ATOM 1503 CE2 PHE A 94 -3.870 6.104 2.589 1.00 51.21 C ATOM 1504 CZ PHE A 94 -4.205 7.344 3.160 1.00 74.32 C ATOM 0 H PHE A 94 -3.933 6.354 -3.661 1.00 1.44 H new ATOM 0 HA PHE A 94 -4.779 8.540 -1.822 1.00 61.35 H new ATOM 0 HB2 PHE A 94 -6.021 6.548 -1.211 1.00 74.14 H new ATOM 0 HB3 PHE A 94 -4.561 5.581 -1.272 1.00 74.14 H new ATOM 0 HD1 PHE A 94 -5.541 8.840 0.398 1.00 23.33 H new ATOM 0 HD2 PHE A 94 -3.866 4.897 0.804 1.00 52.13 H new ATOM 0 HE1 PHE A 94 -5.075 9.287 2.800 1.00 43.43 H new ATOM 0 HE2 PHE A 94 -3.417 5.337 3.200 1.00 51.21 H new ATOM 0 HZ PHE A 94 -4.000 7.534 4.203 1.00 74.32 H new ATOM 1514 N GLU A 95 -2.382 8.883 -1.334 1.00 13.31 N ATOM 1515 CA GLU A 95 -0.974 9.241 -1.190 1.00 25.02 C ATOM 1516 C GLU A 95 -0.681 9.687 0.239 1.00 23.13 C ATOM 1517 O GLU A 95 -1.588 10.057 0.997 1.00 62.44 O ATOM 1518 CB GLU A 95 -0.579 10.296 -2.243 1.00 52.32 C ATOM 1519 CG GLU A 95 -1.308 11.663 -2.190 1.00 72.04 C ATOM 1520 CD GLU A 95 -0.864 12.694 -1.137 1.00 50.22 C ATOM 1521 OE1 GLU A 95 0.165 13.375 -1.369 1.00 41.35 O ATOM 1522 OE2 GLU A 95 -1.633 12.979 -0.183 1.00 70.44 O ATOM 0 H GLU A 95 -3.017 9.588 -0.959 1.00 13.31 H new ATOM 0 HA GLU A 95 -0.355 8.364 -1.376 1.00 25.02 H new ATOM 0 HB2 GLU A 95 0.491 10.481 -2.150 1.00 52.32 H new ATOM 0 HB3 GLU A 95 -0.743 9.865 -3.230 1.00 52.32 H new ATOM 0 HG2 GLU A 95 -1.210 12.128 -3.171 1.00 72.04 H new ATOM 0 HG3 GLU A 95 -2.369 11.467 -2.034 1.00 72.04 H new ATOM 1529 N ALA A 96 0.579 9.568 0.647 1.00 42.33 N ATOM 1530 CA ALA A 96 1.074 10.152 1.887 1.00 33.42 C ATOM 1531 C ALA A 96 2.550 10.495 1.783 1.00 12.10 C ATOM 1532 O ALA A 96 3.315 9.770 1.150 1.00 4.33 O ATOM 1533 CB ALA A 96 0.886 9.190 3.066 1.00 44.13 C ATOM 0 H ALA A 96 1.290 9.059 0.121 1.00 42.33 H new ATOM 0 HA ALA A 96 0.497 11.061 2.057 1.00 33.42 H new ATOM 0 HB1 ALA A 96 1.264 9.653 3.977 1.00 44.13 H new ATOM 0 HB2 ALA A 96 -0.174 8.965 3.186 1.00 44.13 H new ATOM 0 HB3 ALA A 96 1.433 8.267 2.874 1.00 44.13 H new ATOM 1539 N GLY A 97 2.951 11.547 2.490 1.00 44.02 N ATOM 1540 CA GLY A 97 4.315 12.021 2.640 1.00 70.13 C ATOM 1541 C GLY A 97 4.368 13.534 2.487 1.00 44.03 C ATOM 1542 O GLY A 97 3.328 14.202 2.445 1.00 5.14 O ATOM 0 H GLY A 97 2.287 12.125 3.005 1.00 44.02 H new ATOM 0 HA2 GLY A 97 4.702 11.734 3.618 1.00 70.13 H new ATOM 0 HA3 GLY A 97 4.955 11.551 1.894 1.00 70.13 H new ATOM 1546 N TYR A 98 5.576 14.092 2.470 1.00 53.11 N ATOM 1547 CA TYR A 98 5.793 15.524 2.458 1.00 45.22 C ATOM 1548 C TYR A 98 5.289 16.152 1.174 1.00 10.00 C ATOM 1549 O TYR A 98 5.403 15.579 0.096 1.00 42.41 O ATOM 1550 CB TYR A 98 7.277 15.808 2.688 1.00 2.22 C ATOM 1551 CG TYR A 98 7.629 15.618 4.145 1.00 32.10 C ATOM 1552 CD1 TYR A 98 7.137 16.548 5.072 1.00 51.44 C ATOM 1553 CD2 TYR A 98 8.300 14.468 4.594 1.00 71.23 C ATOM 1554 CE1 TYR A 98 7.262 16.324 6.448 1.00 3.04 C ATOM 1555 CE2 TYR A 98 8.442 14.234 5.972 1.00 22.13 C ATOM 1556 CZ TYR A 98 7.904 15.152 6.905 1.00 24.21 C ATOM 1557 OH TYR A 98 7.967 14.887 8.235 1.00 53.32 O ATOM 0 H TYR A 98 6.439 13.549 2.464 1.00 53.11 H new ATOM 0 HA TYR A 98 5.220 15.980 3.265 1.00 45.22 H new ATOM 0 HB2 TYR A 98 7.881 15.142 2.071 1.00 2.22 H new ATOM 0 HB3 TYR A 98 7.511 16.827 2.381 1.00 2.22 H new ATOM 0 HD1 TYR A 98 6.656 17.448 4.720 1.00 51.44 H new ATOM 0 HD2 TYR A 98 8.706 13.765 3.881 1.00 71.23 H new ATOM 0 HE1 TYR A 98 6.871 17.041 7.154 1.00 3.04 H new ATOM 0 HE2 TYR A 98 8.962 13.353 6.319 1.00 22.13 H new ATOM 0 HH TYR A 98 8.441 14.041 8.378 1.00 53.32 H new ATOM 1567 N GLU A 99 4.766 17.369 1.290 1.00 52.13 N ATOM 1568 CA GLU A 99 4.317 18.132 0.134 1.00 22.33 C ATOM 1569 C GLU A 99 5.530 18.609 -0.684 1.00 74.11 C ATOM 1570 O GLU A 99 5.415 18.825 -1.891 1.00 33.20 O ATOM 1571 CB GLU A 99 3.447 19.309 0.625 1.00 42.32 C ATOM 1572 CG GLU A 99 2.037 19.314 0.022 1.00 70.02 C ATOM 1573 CD GLU A 99 1.947 20.120 -1.268 1.00 12.41 C ATOM 1574 OE1 GLU A 99 2.176 19.553 -2.357 1.00 1.43 O ATOM 1575 OE2 GLU A 99 1.587 21.319 -1.173 1.00 70.12 O ATOM 0 H GLU A 99 4.643 17.849 2.181 1.00 52.13 H new ATOM 0 HA GLU A 99 3.712 17.509 -0.525 1.00 22.33 H new ATOM 0 HB2 GLU A 99 3.370 19.266 1.711 1.00 42.32 H new ATOM 0 HB3 GLU A 99 3.944 20.247 0.377 1.00 42.32 H new ATOM 0 HG2 GLU A 99 1.728 18.287 -0.175 1.00 70.02 H new ATOM 0 HG3 GLU A 99 1.337 19.724 0.750 1.00 70.02 H new ATOM 1582 N GLU A 100 6.691 18.778 -0.041 1.00 2.21 N ATOM 1583 CA GLU A 100 7.901 19.351 -0.571 1.00 65.13 C ATOM 1584 C GLU A 100 8.871 18.235 -0.967 1.00 33.11 C ATOM 1585 O GLU A 100 9.369 18.201 -2.095 1.00 33.34 O ATOM 1586 CB GLU A 100 8.399 20.301 0.535 1.00 12.11 C ATOM 1587 CG GLU A 100 9.900 20.519 0.484 1.00 25.24 C ATOM 1588 CD GLU A 100 10.361 21.635 1.423 1.00 21.14 C ATOM 1589 OE1 GLU A 100 9.852 22.773 1.299 1.00 33.40 O ATOM 1590 OE2 GLU A 100 11.180 21.367 2.334 1.00 71.41 O ATOM 0 H GLU A 100 6.801 18.493 0.932 1.00 2.21 H new ATOM 0 HA GLU A 100 7.771 19.919 -1.492 1.00 65.13 H new ATOM 0 HB2 GLU A 100 7.893 21.261 0.439 1.00 12.11 H new ATOM 0 HB3 GLU A 100 8.128 19.893 1.509 1.00 12.11 H new ATOM 0 HG2 GLU A 100 10.408 19.592 0.750 1.00 25.24 H new ATOM 0 HG3 GLU A 100 10.194 20.763 -0.537 1.00 25.24 H new ATOM 1597 N SER A 101 9.106 17.325 -0.031 1.00 65.14 N ATOM 1598 CA SER A 101 9.880 16.101 -0.177 1.00 70.22 C ATOM 1599 C SER A 101 8.995 14.980 -0.732 1.00 50.35 C ATOM 1600 O SER A 101 7.925 15.248 -1.282 1.00 24.34 O ATOM 1601 CB SER A 101 10.569 15.784 1.160 1.00 11.43 C ATOM 1602 OG SER A 101 11.664 16.669 1.299 1.00 11.02 O ATOM 0 H SER A 101 8.736 17.430 0.914 1.00 65.14 H new ATOM 0 HA SER A 101 10.678 16.218 -0.911 1.00 70.22 H new ATOM 0 HB2 SER A 101 9.871 15.906 1.988 1.00 11.43 H new ATOM 0 HB3 SER A 101 10.909 14.749 1.179 1.00 11.43 H new ATOM 0 HG SER A 101 12.123 16.491 2.146 1.00 11.02 H new ATOM 1608 N GLU A 102 9.498 13.750 -0.744 1.00 71.53 N ATOM 1609 CA GLU A 102 8.825 12.637 -1.400 1.00 30.50 C ATOM 1610 C GLU A 102 7.702 12.021 -0.560 1.00 41.34 C ATOM 1611 O GLU A 102 7.640 12.193 0.662 1.00 23.20 O ATOM 1612 CB GLU A 102 9.835 11.606 -1.909 1.00 72.11 C ATOM 1613 CG GLU A 102 10.529 10.946 -0.736 1.00 5.41 C ATOM 1614 CD GLU A 102 12.039 10.869 -0.936 1.00 30.20 C ATOM 1615 OE1 GLU A 102 12.708 11.933 -0.902 1.00 30.11 O ATOM 1616 OE2 GLU A 102 12.561 9.740 -1.066 1.00 71.51 O ATOM 0 H GLU A 102 10.381 13.498 -0.300 1.00 71.53 H new ATOM 0 HA GLU A 102 8.316 13.046 -2.273 1.00 30.50 H new ATOM 0 HB2 GLU A 102 9.328 10.854 -2.513 1.00 72.11 H new ATOM 0 HB3 GLU A 102 10.570 12.090 -2.553 1.00 72.11 H new ATOM 0 HG2 GLU A 102 10.312 11.504 0.175 1.00 5.41 H new ATOM 0 HG3 GLU A 102 10.130 9.941 -0.597 1.00 5.41 H new ATOM 1623 N VAL A 103 6.840 11.262 -1.234 1.00 71.24 N ATOM 1624 CA VAL A 103 5.876 10.358 -0.628 1.00 5.13 C ATOM 1625 C VAL A 103 6.572 9.199 0.091 1.00 32.23 C ATOM 1626 O VAL A 103 7.709 8.840 -0.217 1.00 11.41 O ATOM 1627 CB VAL A 103 4.885 9.824 -1.680 1.00 53.51 C ATOM 1628 CG1 VAL A 103 3.879 10.911 -2.069 1.00 70.11 C ATOM 1629 CG2 VAL A 103 5.593 9.252 -2.914 1.00 21.12 C ATOM 0 H VAL A 103 6.796 11.263 -2.253 1.00 71.24 H new ATOM 0 HA VAL A 103 5.316 10.926 0.115 1.00 5.13 H new ATOM 0 HB VAL A 103 4.342 8.996 -1.224 1.00 53.51 H new ATOM 0 HG11 VAL A 103 3.187 10.517 -2.813 1.00 70.11 H new ATOM 0 HG12 VAL A 103 3.323 11.225 -1.186 1.00 70.11 H new ATOM 0 HG13 VAL A 103 4.411 11.766 -2.486 1.00 70.11 H new ATOM 0 HG21 VAL A 103 4.850 8.889 -3.624 1.00 21.12 H new ATOM 0 HG22 VAL A 103 6.193 10.032 -3.383 1.00 21.12 H new ATOM 0 HG23 VAL A 103 6.240 8.428 -2.613 1.00 21.12 H new ATOM 1639 N ASP A 104 5.828 8.546 0.984 1.00 52.25 N ATOM 1640 CA ASP A 104 6.228 7.352 1.728 1.00 12.31 C ATOM 1641 C ASP A 104 5.154 6.258 1.676 1.00 21.24 C ATOM 1642 O ASP A 104 5.389 5.111 2.058 1.00 71.33 O ATOM 1643 CB ASP A 104 6.536 7.755 3.170 1.00 4.31 C ATOM 1644 CG ASP A 104 7.440 6.738 3.870 1.00 64.13 C ATOM 1645 OD1 ASP A 104 8.470 6.343 3.276 1.00 42.15 O ATOM 1646 OD2 ASP A 104 7.147 6.384 5.039 1.00 32.22 O ATOM 0 H ASP A 104 4.883 8.851 1.220 1.00 52.25 H new ATOM 0 HA ASP A 104 7.119 6.929 1.265 1.00 12.31 H new ATOM 0 HB2 ASP A 104 7.017 8.733 3.178 1.00 4.31 H new ATOM 0 HB3 ASP A 104 5.603 7.854 3.726 1.00 4.31 H new ATOM 1651 N LEU A 105 3.976 6.586 1.139 1.00 70.44 N ATOM 1652 CA LEU A 105 2.944 5.635 0.733 1.00 73.45 C ATOM 1653 C LEU A 105 2.320 6.198 -0.532 1.00 30.33 C ATOM 1654 O LEU A 105 1.977 7.380 -0.586 1.00 10.10 O ATOM 1655 CB LEU A 105 1.873 5.420 1.828 1.00 34.00 C ATOM 1656 CG LEU A 105 0.719 4.455 1.454 1.00 13.44 C ATOM 1657 CD1 LEU A 105 1.167 3.004 1.256 1.00 70.01 C ATOM 1658 CD2 LEU A 105 -0.362 4.411 2.540 1.00 51.25 C ATOM 0 H LEU A 105 3.708 7.555 0.970 1.00 70.44 H new ATOM 0 HA LEU A 105 3.386 4.653 0.563 1.00 73.45 H new ATOM 0 HB2 LEU A 105 2.365 5.040 2.723 1.00 34.00 H new ATOM 0 HB3 LEU A 105 1.444 6.388 2.087 1.00 34.00 H new ATOM 0 HG LEU A 105 0.339 4.859 0.516 1.00 13.44 H new ATOM 0 HD11 LEU A 105 0.305 2.389 0.997 1.00 70.01 H new ATOM 0 HD12 LEU A 105 1.902 2.957 0.452 1.00 70.01 H new ATOM 0 HD13 LEU A 105 1.614 2.632 2.178 1.00 70.01 H new ATOM 0 HD21 LEU A 105 -1.152 3.723 2.239 1.00 51.25 H new ATOM 0 HD22 LEU A 105 0.078 4.071 3.477 1.00 51.25 H new ATOM 0 HD23 LEU A 105 -0.781 5.408 2.677 1.00 51.25 H new ATOM 1670 N ARG A 106 2.165 5.361 -1.552 1.00 50.44 N ATOM 1671 CA ARG A 106 1.176 5.588 -2.596 1.00 62.31 C ATOM 1672 C ARG A 106 0.530 4.254 -2.875 1.00 71.03 C ATOM 1673 O ARG A 106 1.155 3.199 -2.733 1.00 33.34 O ATOM 1674 CB ARG A 106 1.767 6.171 -3.888 1.00 32.12 C ATOM 1675 CG ARG A 106 2.207 7.624 -3.689 1.00 21.02 C ATOM 1676 CD ARG A 106 2.514 8.320 -5.019 1.00 73.13 C ATOM 1677 NE ARG A 106 3.666 7.709 -5.708 1.00 74.05 N ATOM 1678 CZ ARG A 106 3.949 7.761 -7.018 1.00 61.41 C ATOM 1679 NH1 ARG A 106 3.175 8.410 -7.883 1.00 23.00 N ATOM 1680 NH2 ARG A 106 5.031 7.145 -7.473 1.00 50.41 N ATOM 0 H ARG A 106 2.717 4.513 -1.677 1.00 50.44 H new ATOM 0 HA ARG A 106 0.460 6.332 -2.248 1.00 62.31 H new ATOM 0 HB2 ARG A 106 2.620 5.570 -4.205 1.00 32.12 H new ATOM 0 HB3 ARG A 106 1.026 6.119 -4.686 1.00 32.12 H new ATOM 0 HG2 ARG A 106 1.423 8.172 -3.166 1.00 21.02 H new ATOM 0 HG3 ARG A 106 3.092 7.651 -3.054 1.00 21.02 H new ATOM 0 HD2 ARG A 106 1.637 8.271 -5.665 1.00 73.13 H new ATOM 0 HD3 ARG A 106 2.718 9.375 -4.838 1.00 73.13 H new ATOM 0 HE ARG A 106 4.320 7.189 -5.123 1.00 74.05 H new ATOM 0 HH11 ARG A 106 2.336 8.889 -7.557 1.00 23.00 H new ATOM 0 HH12 ARG A 106 3.421 8.429 -8.873 1.00 23.00 H new ATOM 0 HH21 ARG A 106 5.638 6.638 -6.829 1.00 50.41 H new ATOM 0 HH22 ARG A 106 5.256 7.178 -8.467 1.00 50.41 H new ATOM 1694 N VAL A 107 -0.739 4.301 -3.239 1.00 45.44 N ATOM 1695 CA VAL A 107 -1.494 3.110 -3.580 1.00 4.20 C ATOM 1696 C VAL A 107 -2.681 3.533 -4.456 1.00 44.34 C ATOM 1697 O VAL A 107 -3.155 4.671 -4.370 1.00 3.21 O ATOM 1698 CB VAL A 107 -1.886 2.393 -2.269 1.00 43.14 C ATOM 1699 CG1 VAL A 107 -2.913 3.214 -1.510 1.00 51.34 C ATOM 1700 CG2 VAL A 107 -2.373 0.960 -2.479 1.00 24.01 C ATOM 0 H VAL A 107 -1.275 5.166 -3.306 1.00 45.44 H new ATOM 0 HA VAL A 107 -0.918 2.391 -4.163 1.00 4.20 H new ATOM 0 HB VAL A 107 -0.977 2.311 -1.673 1.00 43.14 H new ATOM 0 HG11 VAL A 107 -3.181 2.698 -0.588 1.00 51.34 H new ATOM 0 HG12 VAL A 107 -2.493 4.191 -1.271 1.00 51.34 H new ATOM 0 HG13 VAL A 107 -3.803 3.343 -2.126 1.00 51.34 H new ATOM 0 HG21 VAL A 107 -2.631 0.519 -1.516 1.00 24.01 H new ATOM 0 HG22 VAL A 107 -3.253 0.965 -3.123 1.00 24.01 H new ATOM 0 HG23 VAL A 107 -1.584 0.373 -2.948 1.00 24.01 H new ATOM 1710 N GLU A 108 -3.202 2.616 -5.273 1.00 5.20 N ATOM 1711 CA GLU A 108 -4.275 2.875 -6.221 1.00 44.25 C ATOM 1712 C GLU A 108 -5.171 1.633 -6.248 1.00 61.21 C ATOM 1713 O GLU A 108 -4.689 0.505 -6.083 1.00 43.42 O ATOM 1714 CB GLU A 108 -3.691 3.221 -7.609 1.00 34.34 C ATOM 1715 CG GLU A 108 -2.628 4.340 -7.549 1.00 71.14 C ATOM 1716 CD GLU A 108 -2.118 4.860 -8.896 1.00 11.10 C ATOM 1717 OE1 GLU A 108 -2.653 4.488 -9.967 1.00 3.12 O ATOM 1718 OE2 GLU A 108 -1.157 5.664 -8.891 1.00 63.44 O ATOM 0 H GLU A 108 -2.878 1.649 -5.290 1.00 5.20 H new ATOM 0 HA GLU A 108 -4.872 3.737 -5.923 1.00 44.25 H new ATOM 0 HB2 GLU A 108 -3.246 2.326 -8.044 1.00 34.34 H new ATOM 0 HB3 GLU A 108 -4.500 3.529 -8.272 1.00 34.34 H new ATOM 0 HG2 GLU A 108 -3.045 5.180 -6.993 1.00 71.14 H new ATOM 0 HG3 GLU A 108 -1.775 3.972 -6.978 1.00 71.14 H new ATOM 1725 N PHE A 109 -6.481 1.820 -6.408 1.00 1.10 N ATOM 1726 CA PHE A 109 -7.497 0.783 -6.255 1.00 30.22 C ATOM 1727 C PHE A 109 -8.395 0.813 -7.487 1.00 3.42 C ATOM 1728 O PHE A 109 -8.883 1.884 -7.847 1.00 4.11 O ATOM 1729 CB PHE A 109 -8.362 1.017 -4.997 1.00 24.14 C ATOM 1730 CG PHE A 109 -7.701 1.571 -3.740 1.00 32.32 C ATOM 1731 CD1 PHE A 109 -6.466 1.080 -3.275 1.00 21.30 C ATOM 1732 CD2 PHE A 109 -8.363 2.572 -3.000 1.00 54.43 C ATOM 1733 CE1 PHE A 109 -5.885 1.619 -2.114 1.00 22.41 C ATOM 1734 CE2 PHE A 109 -7.781 3.113 -1.841 1.00 63.22 C ATOM 1735 CZ PHE A 109 -6.535 2.640 -1.400 1.00 43.52 C ATOM 0 H PHE A 109 -6.875 2.728 -6.656 1.00 1.10 H new ATOM 0 HA PHE A 109 -7.001 -0.182 -6.147 1.00 30.22 H new ATOM 0 HB2 PHE A 109 -9.167 1.698 -5.273 1.00 24.14 H new ATOM 0 HB3 PHE A 109 -8.825 0.066 -4.734 1.00 24.14 H new ATOM 0 HD1 PHE A 109 -5.964 0.288 -3.811 1.00 21.30 H new ATOM 0 HD2 PHE A 109 -9.329 2.927 -3.328 1.00 54.43 H new ATOM 0 HE1 PHE A 109 -4.932 1.246 -1.768 1.00 22.41 H new ATOM 0 HE2 PHE A 109 -8.291 3.890 -1.291 1.00 63.22 H new ATOM 0 HZ PHE A 109 -6.078 3.059 -0.516 1.00 43.52 H new ATOM 1745 N GLU A 110 -8.670 -0.336 -8.098 1.00 64.01 N ATOM 1746 CA GLU A 110 -9.582 -0.470 -9.227 1.00 34.01 C ATOM 1747 C GLU A 110 -10.610 -1.547 -8.888 1.00 33.12 C ATOM 1748 O GLU A 110 -10.305 -2.539 -8.218 1.00 32.32 O ATOM 1749 CB GLU A 110 -8.814 -0.851 -10.506 1.00 73.15 C ATOM 1750 CG GLU A 110 -8.047 0.327 -11.125 1.00 14.24 C ATOM 1751 CD GLU A 110 -7.127 -0.046 -12.304 1.00 44.33 C ATOM 1752 OE1 GLU A 110 -6.976 -1.236 -12.684 1.00 23.01 O ATOM 1753 OE2 GLU A 110 -6.495 0.876 -12.872 1.00 74.05 O ATOM 0 H GLU A 110 -8.253 -1.222 -7.813 1.00 64.01 H new ATOM 0 HA GLU A 110 -10.081 0.482 -9.410 1.00 34.01 H new ATOM 0 HB2 GLU A 110 -8.112 -1.652 -10.275 1.00 73.15 H new ATOM 0 HB3 GLU A 110 -9.517 -1.245 -11.240 1.00 73.15 H new ATOM 0 HG2 GLU A 110 -8.767 1.071 -11.466 1.00 14.24 H new ATOM 0 HG3 GLU A 110 -7.445 0.798 -10.348 1.00 14.24 H new ATOM 1760 N LEU A 111 -11.832 -1.381 -9.385 1.00 35.23 N ATOM 1761 CA LEU A 111 -12.806 -2.461 -9.437 1.00 4.53 C ATOM 1762 C LEU A 111 -12.500 -3.308 -10.671 1.00 52.14 C ATOM 1763 O LEU A 111 -12.478 -2.769 -11.778 1.00 41.11 O ATOM 1764 CB LEU A 111 -14.212 -1.867 -9.539 1.00 15.21 C ATOM 1765 CG LEU A 111 -15.302 -2.923 -9.285 1.00 54.25 C ATOM 1766 CD1 LEU A 111 -15.654 -3.010 -7.803 1.00 24.03 C ATOM 1767 CD2 LEU A 111 -16.564 -2.570 -10.069 1.00 52.53 C ATOM 0 H LEU A 111 -12.172 -0.496 -9.761 1.00 35.23 H new ATOM 0 HA LEU A 111 -12.753 -3.077 -8.540 1.00 4.53 H new ATOM 0 HB2 LEU A 111 -14.317 -1.057 -8.818 1.00 15.21 H new ATOM 0 HB3 LEU A 111 -14.351 -1.432 -10.529 1.00 15.21 H new ATOM 0 HG LEU A 111 -14.911 -3.886 -9.613 1.00 54.25 H new ATOM 0 HD11 LEU A 111 -16.427 -3.765 -7.656 1.00 24.03 H new ATOM 0 HD12 LEU A 111 -14.766 -3.284 -7.234 1.00 24.03 H new ATOM 0 HD13 LEU A 111 -16.021 -2.043 -7.459 1.00 24.03 H new ATOM 0 HD21 LEU A 111 -17.330 -3.323 -9.883 1.00 52.53 H new ATOM 0 HD22 LEU A 111 -16.929 -1.594 -9.750 1.00 52.53 H new ATOM 0 HD23 LEU A 111 -16.334 -2.541 -11.134 1.00 52.53 H new ATOM 1779 N GLN A 112 -12.301 -4.617 -10.509 1.00 23.22 N ATOM 1780 CA GLN A 112 -12.288 -5.552 -11.638 1.00 41.42 C ATOM 1781 C GLN A 112 -13.684 -5.617 -12.260 1.00 74.14 C ATOM 1782 O GLN A 112 -14.676 -5.296 -11.604 1.00 63.11 O ATOM 1783 CB GLN A 112 -11.881 -6.949 -11.172 1.00 72.14 C ATOM 1784 CG GLN A 112 -10.433 -7.023 -10.687 1.00 51.32 C ATOM 1785 CD GLN A 112 -9.392 -6.796 -11.780 1.00 23.44 C ATOM 1786 OE1 GLN A 112 -9.145 -7.669 -12.611 1.00 3.33 O ATOM 1787 NE2 GLN A 112 -8.726 -5.653 -11.767 1.00 40.22 N ATOM 0 H GLN A 112 -12.146 -5.057 -9.602 1.00 23.22 H new ATOM 0 HA GLN A 112 -11.566 -5.200 -12.375 1.00 41.42 H new ATOM 0 HB2 GLN A 112 -12.544 -7.264 -10.366 1.00 72.14 H new ATOM 0 HB3 GLN A 112 -12.019 -7.653 -11.992 1.00 72.14 H new ATOM 0 HG2 GLN A 112 -10.287 -6.281 -9.902 1.00 51.32 H new ATOM 0 HG3 GLN A 112 -10.263 -8.001 -10.237 1.00 51.32 H new ATOM 0 HE21 GLN A 112 -8.946 -4.942 -11.069 1.00 40.22 H new ATOM 0 HE22 GLN A 112 -7.992 -5.483 -12.455 1.00 40.22 H new ATOM 1796 N ALA A 113 -13.799 -6.138 -13.481 1.00 63.11 N ATOM 1797 CA ALA A 113 -15.096 -6.457 -14.068 1.00 55.35 C ATOM 1798 C ALA A 113 -15.735 -7.650 -13.344 1.00 2.32 C ATOM 1799 O ALA A 113 -16.950 -7.842 -13.394 1.00 3.40 O ATOM 1800 CB ALA A 113 -14.904 -6.744 -15.552 1.00 20.34 C ATOM 0 H ALA A 113 -13.004 -6.348 -14.084 1.00 63.11 H new ATOM 0 HA ALA A 113 -15.774 -5.611 -13.955 1.00 55.35 H new ATOM 0 HB1 ALA A 113 -15.867 -6.984 -16.004 1.00 20.34 H new ATOM 0 HB2 ALA A 113 -14.483 -5.866 -16.041 1.00 20.34 H new ATOM 0 HB3 ALA A 113 -14.225 -7.588 -15.675 1.00 20.34 H new ATOM 1806 N ASP A 114 -14.926 -8.417 -12.608 1.00 42.44 N ATOM 1807 CA ASP A 114 -15.328 -9.450 -11.660 1.00 2.33 C ATOM 1808 C ASP A 114 -16.051 -8.820 -10.455 1.00 51.13 C ATOM 1809 O ASP A 114 -16.639 -9.530 -9.638 1.00 12.50 O ATOM 1810 CB ASP A 114 -14.075 -10.219 -11.196 1.00 11.52 C ATOM 1811 CG ASP A 114 -13.636 -11.335 -12.148 1.00 3.24 C ATOM 1812 OD1 ASP A 114 -12.867 -11.039 -13.092 1.00 14.24 O ATOM 1813 OD2 ASP A 114 -13.979 -12.510 -11.886 1.00 73.32 O ATOM 0 H ASP A 114 -13.912 -8.325 -12.664 1.00 42.44 H new ATOM 0 HA ASP A 114 -16.019 -10.140 -12.144 1.00 2.33 H new ATOM 0 HB2 ASP A 114 -13.253 -9.514 -11.077 1.00 11.52 H new ATOM 0 HB3 ASP A 114 -14.270 -10.650 -10.214 1.00 11.52 H new ATOM 1818 N GLY A 115 -16.031 -7.489 -10.319 1.00 1.11 N ATOM 1819 CA GLY A 115 -16.804 -6.726 -9.350 1.00 64.44 C ATOM 1820 C GLY A 115 -16.234 -6.758 -7.933 1.00 54.15 C ATOM 1821 O GLY A 115 -16.879 -6.249 -7.016 1.00 60.22 O ATOM 0 H GLY A 115 -15.449 -6.895 -10.910 1.00 1.11 H new ATOM 0 HA2 GLY A 115 -16.863 -5.690 -9.683 1.00 64.44 H new ATOM 0 HA3 GLY A 115 -17.823 -7.112 -9.329 1.00 64.44 H new ATOM 1825 N LYS A 116 -15.041 -7.323 -7.716 1.00 33.22 N ATOM 1826 CA LYS A 116 -14.292 -7.071 -6.483 1.00 74.04 C ATOM 1827 C LYS A 116 -13.432 -5.835 -6.708 1.00 61.34 C ATOM 1828 O LYS A 116 -12.870 -5.659 -7.792 1.00 33.32 O ATOM 1829 CB LYS A 116 -13.402 -8.273 -6.129 1.00 64.31 C ATOM 1830 CG LYS A 116 -14.181 -9.356 -5.374 1.00 71.21 C ATOM 1831 CD LYS A 116 -13.303 -10.586 -5.092 1.00 63.01 C ATOM 1832 CE LYS A 116 -14.136 -11.738 -4.514 1.00 22.31 C ATOM 1833 NZ LYS A 116 -14.917 -12.429 -5.560 1.00 33.24 N ATOM 0 H LYS A 116 -14.578 -7.952 -8.372 1.00 33.22 H new ATOM 0 HA LYS A 116 -14.982 -6.916 -5.654 1.00 74.04 H new ATOM 0 HB2 LYS A 116 -12.983 -8.696 -7.042 1.00 64.31 H new ATOM 0 HB3 LYS A 116 -12.563 -7.937 -5.519 1.00 64.31 H new ATOM 0 HG2 LYS A 116 -14.553 -8.950 -4.434 1.00 71.21 H new ATOM 0 HG3 LYS A 116 -15.051 -9.655 -5.959 1.00 71.21 H new ATOM 0 HD2 LYS A 116 -12.819 -10.910 -6.013 1.00 63.01 H new ATOM 0 HD3 LYS A 116 -12.511 -10.319 -4.392 1.00 63.01 H new ATOM 0 HE2 LYS A 116 -13.476 -12.452 -4.022 1.00 22.31 H new ATOM 0 HE3 LYS A 116 -14.812 -11.351 -3.752 1.00 22.31 H new ATOM 0 HZ1 LYS A 116 -15.453 -13.211 -5.133 1.00 33.24 H new ATOM 0 HZ2 LYS A 116 -15.577 -11.757 -6.001 1.00 33.24 H new ATOM 0 HZ3 LYS A 116 -14.272 -12.806 -6.283 1.00 33.24 H new ATOM 1847 N TRP A 117 -13.283 -5.023 -5.666 1.00 64.31 N ATOM 1848 CA TRP A 117 -12.202 -4.054 -5.572 1.00 52.24 C ATOM 1849 C TRP A 117 -10.892 -4.782 -5.322 1.00 55.23 C ATOM 1850 O TRP A 117 -10.874 -5.798 -4.612 1.00 71.11 O ATOM 1851 CB TRP A 117 -12.472 -3.093 -4.426 1.00 5.52 C ATOM 1852 CG TRP A 117 -13.495 -2.068 -4.747 1.00 1.31 C ATOM 1853 CD1 TRP A 117 -14.825 -2.185 -4.545 1.00 65.24 C ATOM 1854 CD2 TRP A 117 -13.283 -0.777 -5.388 1.00 54.11 C ATOM 1855 NE1 TRP A 117 -15.454 -1.094 -5.099 1.00 12.41 N ATOM 1856 CE2 TRP A 117 -14.557 -0.187 -5.613 1.00 30.04 C ATOM 1857 CE3 TRP A 117 -12.150 -0.057 -5.825 1.00 22.12 C ATOM 1858 CZ2 TRP A 117 -14.706 1.048 -6.245 1.00 43.35 C ATOM 1859 CZ3 TRP A 117 -12.283 1.214 -6.416 1.00 25.02 C ATOM 1860 CH2 TRP A 117 -13.559 1.772 -6.611 1.00 43.31 C ATOM 0 H TRP A 117 -13.911 -5.020 -4.862 1.00 64.31 H new ATOM 0 HA TRP A 117 -12.138 -3.494 -6.505 1.00 52.24 H new ATOM 0 HB2 TRP A 117 -12.798 -3.661 -3.554 1.00 5.52 H new ATOM 0 HB3 TRP A 117 -11.542 -2.595 -4.152 1.00 5.52 H new ATOM 0 HD1 TRP A 117 -15.314 -3.000 -4.033 1.00 65.24 H new ATOM 0 HE1 TRP A 117 -16.466 -0.972 -5.125 1.00 12.41 H new ATOM 0 HE3 TRP A 117 -11.167 -0.487 -5.704 1.00 22.12 H new ATOM 0 HZ2 TRP A 117 -15.690 1.442 -6.450 1.00 43.35 H new ATOM 0 HZ3 TRP A 117 -11.403 1.762 -6.720 1.00 25.02 H new ATOM 0 HH2 TRP A 117 -13.657 2.757 -7.042 1.00 43.31 H new ATOM 1871 N TYR A 118 -9.829 -4.226 -5.893 1.00 61.34 N ATOM 1872 CA TYR A 118 -8.557 -4.866 -6.153 1.00 75.42 C ATOM 1873 C TYR A 118 -7.488 -3.761 -6.174 1.00 61.13 C ATOM 1874 O TYR A 118 -7.720 -2.683 -6.723 1.00 14.42 O ATOM 1875 CB TYR A 118 -8.711 -5.588 -7.508 1.00 31.01 C ATOM 1876 CG TYR A 118 -8.733 -7.098 -7.399 1.00 75.42 C ATOM 1877 CD1 TYR A 118 -7.529 -7.817 -7.295 1.00 0.41 C ATOM 1878 CD2 TYR A 118 -9.961 -7.786 -7.402 1.00 33.34 C ATOM 1879 CE1 TYR A 118 -7.547 -9.214 -7.170 1.00 71.43 C ATOM 1880 CE2 TYR A 118 -9.991 -9.187 -7.295 1.00 73.24 C ATOM 1881 CZ TYR A 118 -8.781 -9.902 -7.155 1.00 31.41 C ATOM 1882 OH TYR A 118 -8.806 -11.251 -6.996 1.00 12.12 O ATOM 0 H TYR A 118 -9.840 -3.255 -6.204 1.00 61.34 H new ATOM 0 HA TYR A 118 -8.258 -5.597 -5.402 1.00 75.42 H new ATOM 0 HB2 TYR A 118 -9.633 -5.254 -7.984 1.00 31.01 H new ATOM 0 HB3 TYR A 118 -7.890 -5.293 -8.161 1.00 31.01 H new ATOM 0 HD1 TYR A 118 -6.586 -7.291 -7.311 1.00 0.41 H new ATOM 0 HD2 TYR A 118 -10.885 -7.234 -7.487 1.00 33.34 H new ATOM 0 HE1 TYR A 118 -6.620 -9.762 -7.085 1.00 71.43 H new ATOM 0 HE2 TYR A 118 -10.934 -9.714 -7.320 1.00 73.24 H new ATOM 0 HH TYR A 118 -8.688 -11.471 -6.048 1.00 12.12 H new ATOM 1892 N VAL A 119 -6.342 -3.978 -5.528 1.00 34.04 N ATOM 1893 CA VAL A 119 -5.290 -2.975 -5.363 1.00 43.54 C ATOM 1894 C VAL A 119 -4.273 -3.131 -6.497 1.00 22.23 C ATOM 1895 O VAL A 119 -3.771 -4.236 -6.738 1.00 15.53 O ATOM 1896 CB VAL A 119 -4.663 -3.106 -3.964 1.00 50.52 C ATOM 1897 CG1 VAL A 119 -3.540 -2.085 -3.780 1.00 21.33 C ATOM 1898 CG2 VAL A 119 -5.712 -2.888 -2.866 1.00 21.12 C ATOM 0 H VAL A 119 -6.115 -4.874 -5.096 1.00 34.04 H new ATOM 0 HA VAL A 119 -5.698 -1.966 -5.428 1.00 43.54 H new ATOM 0 HB VAL A 119 -4.261 -4.116 -3.881 1.00 50.52 H new ATOM 0 HG11 VAL A 119 -3.109 -2.193 -2.785 1.00 21.33 H new ATOM 0 HG12 VAL A 119 -2.768 -2.255 -4.530 1.00 21.33 H new ATOM 0 HG13 VAL A 119 -3.941 -1.078 -3.894 1.00 21.33 H new ATOM 0 HG21 VAL A 119 -5.241 -2.986 -1.888 1.00 21.12 H new ATOM 0 HG22 VAL A 119 -6.139 -1.890 -2.964 1.00 21.12 H new ATOM 0 HG23 VAL A 119 -6.502 -3.632 -2.965 1.00 21.12 H new ATOM 1908 N VAL A 120 -4.017 -2.055 -7.235 1.00 14.32 N ATOM 1909 CA VAL A 120 -3.270 -2.021 -8.495 1.00 20.41 C ATOM 1910 C VAL A 120 -2.038 -1.127 -8.388 1.00 44.35 C ATOM 1911 O VAL A 120 -1.425 -0.806 -9.406 1.00 1.32 O ATOM 1912 CB VAL A 120 -4.208 -1.584 -9.641 1.00 22.33 C ATOM 1913 CG1 VAL A 120 -5.295 -2.634 -9.893 1.00 12.21 C ATOM 1914 CG2 VAL A 120 -4.876 -0.232 -9.360 1.00 32.10 C ATOM 0 H VAL A 120 -4.342 -1.129 -6.957 1.00 14.32 H new ATOM 0 HA VAL A 120 -2.903 -3.023 -8.718 1.00 20.41 H new ATOM 0 HB VAL A 120 -3.582 -1.483 -10.527 1.00 22.33 H new ATOM 0 HG11 VAL A 120 -5.941 -2.301 -10.705 1.00 12.21 H new ATOM 0 HG12 VAL A 120 -4.830 -3.581 -10.165 1.00 12.21 H new ATOM 0 HG13 VAL A 120 -5.888 -2.768 -8.988 1.00 12.21 H new ATOM 0 HG21 VAL A 120 -5.526 0.033 -10.194 1.00 32.10 H new ATOM 0 HG22 VAL A 120 -5.467 -0.301 -8.447 1.00 32.10 H new ATOM 0 HG23 VAL A 120 -4.110 0.534 -9.239 1.00 32.10 H new ATOM 1924 N ASP A 121 -1.664 -0.744 -7.169 1.00 42.44 N ATOM 1925 CA ASP A 121 -0.388 -0.105 -6.895 1.00 61.02 C ATOM 1926 C ASP A 121 0.061 -0.459 -5.491 1.00 45.23 C ATOM 1927 O ASP A 121 -0.773 -0.919 -4.712 1.00 2.31 O ATOM 1928 CB ASP A 121 -0.471 1.419 -7.034 1.00 71.41 C ATOM 1929 CG ASP A 121 0.923 1.971 -7.308 1.00 2.53 C ATOM 1930 OD1 ASP A 121 1.712 1.233 -7.947 1.00 71.25 O ATOM 1931 OD2 ASP A 121 1.166 3.125 -6.904 1.00 24.00 O ATOM 0 H ASP A 121 -2.245 -0.871 -6.341 1.00 42.44 H new ATOM 0 HA ASP A 121 0.332 -0.469 -7.628 1.00 61.02 H new ATOM 0 HB2 ASP A 121 -1.148 1.686 -7.846 1.00 71.41 H new ATOM 0 HB3 ASP A 121 -0.877 1.858 -6.123 1.00 71.41 H new ATOM 1936 N CYS A 122 1.337 -0.270 -5.149 1.00 34.21 N ATOM 1937 CA CYS A 122 1.800 -0.300 -3.765 1.00 72.45 C ATOM 1938 C CYS A 122 3.228 0.235 -3.703 1.00 23.10 C ATOM 1939 O CYS A 122 4.158 -0.473 -4.093 1.00 45.43 O ATOM 1940 CB CYS A 122 1.738 -1.728 -3.184 1.00 22.44 C ATOM 1941 SG CYS A 122 1.380 -1.649 -1.409 1.00 45.13 S ATOM 0 H CYS A 122 2.078 -0.092 -5.827 1.00 34.21 H new ATOM 0 HA CYS A 122 1.144 0.329 -3.163 1.00 72.45 H new ATOM 0 HB2 CYS A 122 0.968 -2.306 -3.695 1.00 22.44 H new ATOM 0 HB3 CYS A 122 2.685 -2.241 -3.351 1.00 22.44 H new ATOM 0 HG CYS A 122 0.661 -2.676 -1.065 1.00 45.13 H new ATOM 1947 N TYR A 123 3.404 1.454 -3.206 1.00 12.44 N ATOM 1948 CA TYR A 123 4.702 2.031 -2.885 1.00 41.21 C ATOM 1949 C TYR A 123 4.731 2.248 -1.382 1.00 11.51 C ATOM 1950 O TYR A 123 3.771 2.788 -0.838 1.00 44.15 O ATOM 1951 CB TYR A 123 4.862 3.363 -3.616 1.00 71.25 C ATOM 1952 CG TYR A 123 6.076 4.156 -3.190 1.00 34.33 C ATOM 1953 CD1 TYR A 123 7.337 3.881 -3.749 1.00 64.32 C ATOM 1954 CD2 TYR A 123 5.939 5.161 -2.216 1.00 43.33 C ATOM 1955 CE1 TYR A 123 8.455 4.645 -3.369 1.00 61.45 C ATOM 1956 CE2 TYR A 123 7.055 5.909 -1.817 1.00 61.45 C ATOM 1957 CZ TYR A 123 8.313 5.670 -2.408 1.00 31.10 C ATOM 1958 OH TYR A 123 9.374 6.457 -2.095 1.00 25.30 O ATOM 0 H TYR A 123 2.626 2.084 -3.010 1.00 12.44 H new ATOM 0 HA TYR A 123 5.516 1.375 -3.193 1.00 41.21 H new ATOM 0 HB2 TYR A 123 4.923 3.173 -4.688 1.00 71.25 H new ATOM 0 HB3 TYR A 123 3.970 3.967 -3.450 1.00 71.25 H new ATOM 0 HD1 TYR A 123 7.447 3.084 -4.469 1.00 64.32 H new ATOM 0 HD2 TYR A 123 4.973 5.357 -1.775 1.00 43.33 H new ATOM 0 HE1 TYR A 123 9.420 4.448 -3.811 1.00 61.45 H new ATOM 0 HE2 TYR A 123 6.952 6.669 -1.057 1.00 61.45 H new ATOM 0 HH TYR A 123 9.106 7.113 -1.418 1.00 25.30 H new ATOM 1968 N THR A 124 5.798 1.842 -0.703 1.00 13.41 N ATOM 1969 CA THR A 124 5.960 2.024 0.737 1.00 24.21 C ATOM 1970 C THR A 124 7.430 2.337 1.031 1.00 14.30 C ATOM 1971 O THR A 124 8.326 1.942 0.267 1.00 31.24 O ATOM 1972 CB THR A 124 5.405 0.794 1.507 1.00 64.34 C ATOM 1973 OG1 THR A 124 5.888 0.755 2.832 1.00 3.04 O ATOM 1974 CG2 THR A 124 5.787 -0.559 0.887 1.00 10.14 C ATOM 0 H THR A 124 6.588 1.370 -1.143 1.00 13.41 H new ATOM 0 HA THR A 124 5.374 2.872 1.092 1.00 24.21 H new ATOM 0 HB THR A 124 4.324 0.927 1.461 1.00 64.34 H new ATOM 0 HG1 THR A 124 5.520 -0.029 3.291 1.00 3.04 H new ATOM 0 HG21 THR A 124 5.361 -1.366 1.484 1.00 10.14 H new ATOM 0 HG22 THR A 124 5.399 -0.616 -0.130 1.00 10.14 H new ATOM 0 HG23 THR A 124 6.872 -0.657 0.867 1.00 10.14 H new ATOM 1982 N GLY A 125 7.691 3.008 2.157 1.00 44.15 N ATOM 1983 CA GLY A 125 9.031 3.212 2.683 1.00 12.34 C ATOM 1984 C GLY A 125 9.780 1.899 2.890 1.00 33.14 C ATOM 1985 O GLY A 125 10.993 1.865 2.681 1.00 12.23 O ATOM 0 H GLY A 125 6.961 3.429 2.733 1.00 44.15 H new ATOM 0 HA2 GLY A 125 9.595 3.845 1.998 1.00 12.34 H new ATOM 0 HA3 GLY A 125 8.969 3.745 3.632 1.00 12.34 H new ATOM 1989 N TRP A 126 9.075 0.796 3.180 1.00 52.03 N ATOM 1990 CA TRP A 126 9.672 -0.532 3.311 1.00 44.23 C ATOM 1991 C TRP A 126 10.490 -0.960 2.096 1.00 31.13 C ATOM 1992 O TRP A 126 11.389 -1.777 2.245 1.00 2.01 O ATOM 1993 CB TRP A 126 8.586 -1.595 3.486 1.00 23.50 C ATOM 1994 CG TRP A 126 8.312 -2.043 4.869 1.00 32.12 C ATOM 1995 CD1 TRP A 126 7.089 -2.133 5.422 1.00 23.41 C ATOM 1996 CD2 TRP A 126 9.256 -2.480 5.889 1.00 34.34 C ATOM 1997 NE1 TRP A 126 7.209 -2.621 6.696 1.00 1.20 N ATOM 1998 CE2 TRP A 126 8.516 -2.847 7.048 1.00 13.20 C ATOM 1999 CE3 TRP A 126 10.659 -2.551 5.979 1.00 62.32 C ATOM 2000 CZ2 TRP A 126 9.122 -3.283 8.229 1.00 23.22 C ATOM 2001 CZ3 TRP A 126 11.289 -2.915 7.177 1.00 11.13 C ATOM 2002 CH2 TRP A 126 10.527 -3.280 8.305 1.00 22.42 C ATOM 0 H TRP A 126 8.066 0.805 3.331 1.00 52.03 H new ATOM 0 HA TRP A 126 10.327 -0.457 4.179 1.00 44.23 H new ATOM 0 HB2 TRP A 126 7.659 -1.207 3.064 1.00 23.50 H new ATOM 0 HB3 TRP A 126 8.865 -2.467 2.895 1.00 23.50 H new ATOM 0 HD1 TRP A 126 6.161 -1.864 4.939 1.00 23.41 H new ATOM 0 HE1 TRP A 126 6.416 -2.797 7.314 1.00 1.20 H new ATOM 0 HE3 TRP A 126 11.260 -2.321 5.111 1.00 62.32 H new ATOM 0 HZ2 TRP A 126 8.525 -3.615 9.065 1.00 23.22 H new ATOM 0 HZ3 TRP A 126 12.367 -2.916 7.236 1.00 11.13 H new ATOM 0 HH2 TRP A 126 11.020 -3.557 9.225 1.00 22.42 H new ATOM 2013 N TYR A 127 10.151 -0.495 0.895 1.00 54.44 N ATOM 2014 CA TYR A 127 10.840 -0.881 -0.330 1.00 50.22 C ATOM 2015 C TYR A 127 11.153 0.408 -1.115 1.00 21.42 C ATOM 2016 O TYR A 127 10.934 0.474 -2.327 1.00 54.05 O ATOM 2017 CB TYR A 127 10.034 -1.966 -1.089 1.00 74.15 C ATOM 2018 CG TYR A 127 9.843 -3.283 -0.328 1.00 72.24 C ATOM 2019 CD1 TYR A 127 10.795 -4.329 -0.397 1.00 54.11 C ATOM 2020 CD2 TYR A 127 8.722 -3.440 0.508 1.00 44.41 C ATOM 2021 CE1 TYR A 127 10.704 -5.450 0.459 1.00 50.45 C ATOM 2022 CE2 TYR A 127 8.635 -4.533 1.385 1.00 22.11 C ATOM 2023 CZ TYR A 127 9.670 -5.492 1.411 1.00 53.25 C ATOM 2024 OH TYR A 127 9.695 -6.470 2.353 1.00 73.43 O ATOM 0 H TYR A 127 9.386 0.163 0.746 1.00 54.44 H new ATOM 0 HA TYR A 127 11.797 -1.367 -0.138 1.00 50.22 H new ATOM 0 HB2 TYR A 127 9.053 -1.561 -1.336 1.00 74.15 H new ATOM 0 HB3 TYR A 127 10.538 -2.179 -2.032 1.00 74.15 H new ATOM 0 HD1 TYR A 127 11.601 -4.269 -1.113 1.00 54.11 H new ATOM 0 HD2 TYR A 127 7.923 -2.714 0.475 1.00 44.41 H new ATOM 0 HE1 TYR A 127 11.415 -6.259 0.383 1.00 50.45 H new ATOM 0 HE2 TYR A 127 7.780 -4.639 2.036 1.00 22.11 H new ATOM 0 HH TYR A 127 10.624 -6.718 2.543 1.00 73.43 H new ATOM 2034 N GLY A 128 11.585 1.458 -0.397 1.00 71.52 N ATOM 2035 CA GLY A 128 11.830 2.812 -0.891 1.00 64.22 C ATOM 2036 C GLY A 128 13.304 3.079 -1.218 1.00 65.22 C ATOM 2037 O GLY A 128 14.157 2.190 -1.117 1.00 23.20 O ATOM 0 H GLY A 128 11.782 1.374 0.600 1.00 71.52 H new ATOM 0 HA2 GLY A 128 11.230 2.979 -1.786 1.00 64.22 H new ATOM 0 HA3 GLY A 128 11.495 3.531 -0.143 1.00 64.22 H new ATOM 2041 N TYR A 129 13.613 4.310 -1.626 1.00 71.51 N ATOM 2042 CA TYR A 129 14.904 4.719 -2.176 1.00 13.23 C ATOM 2043 C TYR A 129 15.863 5.188 -1.065 1.00 65.25 C ATOM 2044 O TYR A 129 16.375 6.312 -1.080 1.00 13.42 O ATOM 2045 CB TYR A 129 14.677 5.796 -3.240 1.00 50.24 C ATOM 2046 CG TYR A 129 14.062 5.330 -4.552 1.00 72.21 C ATOM 2047 CD1 TYR A 129 14.912 4.952 -5.606 1.00 41.32 C ATOM 2048 CD2 TYR A 129 12.670 5.388 -4.776 1.00 2.04 C ATOM 2049 CE1 TYR A 129 14.399 4.762 -6.896 1.00 72.23 C ATOM 2050 CE2 TYR A 129 12.147 5.177 -6.068 1.00 4.02 C ATOM 2051 CZ TYR A 129 13.022 4.922 -7.149 1.00 32.51 C ATOM 2052 OH TYR A 129 12.556 4.835 -8.427 1.00 2.14 O ATOM 0 H TYR A 129 12.944 5.079 -1.580 1.00 71.51 H new ATOM 0 HA TYR A 129 15.385 3.863 -2.649 1.00 13.23 H new ATOM 0 HB2 TYR A 129 14.033 6.566 -2.815 1.00 50.24 H new ATOM 0 HB3 TYR A 129 15.635 6.267 -3.460 1.00 50.24 H new ATOM 0 HD1 TYR A 129 15.966 4.807 -5.420 1.00 41.32 H new ATOM 0 HD2 TYR A 129 12.002 5.595 -3.953 1.00 2.04 H new ATOM 0 HE1 TYR A 129 15.064 4.491 -7.703 1.00 72.23 H new ATOM 0 HE2 TYR A 129 11.080 5.210 -6.232 1.00 4.02 H new ATOM 0 HH TYR A 129 13.285 5.023 -9.054 1.00 2.14 H new ATOM 2062 N ASP A 130 16.110 4.299 -0.106 1.00 2.21 N ATOM 2063 CA ASP A 130 16.960 4.516 1.075 1.00 42.44 C ATOM 2064 C ASP A 130 18.022 3.412 1.172 1.00 65.13 C ATOM 2065 O ASP A 130 19.182 3.666 1.509 1.00 45.14 O ATOM 2066 CB ASP A 130 16.051 4.577 2.321 1.00 32.53 C ATOM 2067 CG ASP A 130 16.730 4.868 3.674 1.00 31.14 C ATOM 2068 OD1 ASP A 130 17.938 4.606 3.877 1.00 31.52 O ATOM 2069 OD2 ASP A 130 16.021 5.331 4.591 1.00 72.13 O ATOM 0 H ASP A 130 15.707 3.362 -0.127 1.00 2.21 H new ATOM 0 HA ASP A 130 17.501 5.459 0.998 1.00 42.44 H new ATOM 0 HB2 ASP A 130 15.295 5.343 2.151 1.00 32.53 H new ATOM 0 HB3 ASP A 130 15.527 3.625 2.404 1.00 32.53 H new ATOM 2074 N LEU A 131 17.684 2.168 0.806 1.00 5.41 N ATOM 2075 CA LEU A 131 18.553 1.024 1.080 1.00 23.14 C ATOM 2076 C LEU A 131 19.276 0.628 -0.203 1.00 34.51 C ATOM 2077 O LEU A 131 18.660 0.673 -1.273 1.00 42.04 O ATOM 2078 CB LEU A 131 17.745 -0.165 1.637 1.00 52.35 C ATOM 2079 CG LEU A 131 17.389 -0.091 3.138 1.00 30.43 C ATOM 2080 CD1 LEU A 131 18.630 -0.169 4.039 1.00 30.50 C ATOM 2081 CD2 LEU A 131 16.585 1.161 3.495 1.00 2.11 C ATOM 0 H LEU A 131 16.818 1.933 0.322 1.00 5.41 H new ATOM 0 HA LEU A 131 19.284 1.306 1.837 1.00 23.14 H new ATOM 0 HB2 LEU A 131 16.820 -0.250 1.067 1.00 52.35 H new ATOM 0 HB3 LEU A 131 18.312 -1.079 1.462 1.00 52.35 H new ATOM 0 HG LEU A 131 16.765 -0.966 3.323 1.00 30.43 H new ATOM 0 HD11 LEU A 131 18.325 -0.113 5.084 1.00 30.50 H new ATOM 0 HD12 LEU A 131 19.149 -1.111 3.863 1.00 30.50 H new ATOM 0 HD13 LEU A 131 19.298 0.661 3.811 1.00 30.50 H new ATOM 0 HD21 LEU A 131 16.364 1.159 4.562 1.00 2.11 H new ATOM 0 HD22 LEU A 131 17.166 2.049 3.246 1.00 2.11 H new ATOM 0 HD23 LEU A 131 15.652 1.168 2.931 1.00 2.11 H new ATOM 2093 N PRO A 132 20.535 0.169 -0.124 1.00 52.42 N ATOM 2094 CA PRO A 132 21.245 -0.341 -1.281 1.00 42.42 C ATOM 2095 C PRO A 132 20.647 -1.677 -1.702 1.00 52.12 C ATOM 2096 O PRO A 132 20.030 -2.376 -0.894 1.00 74.41 O ATOM 2097 CB PRO A 132 22.695 -0.518 -0.815 1.00 22.54 C ATOM 2098 CG PRO A 132 22.553 -0.809 0.675 1.00 63.25 C ATOM 2099 CD PRO A 132 21.369 0.069 1.063 1.00 14.00 C ATOM 0 HA PRO A 132 21.179 0.326 -2.140 1.00 42.42 H new ATOM 0 HB2 PRO A 132 23.189 -1.336 -1.339 1.00 22.54 H new ATOM 0 HB3 PRO A 132 23.287 0.379 -0.995 1.00 22.54 H new ATOM 0 HG2 PRO A 132 22.358 -1.864 0.867 1.00 63.25 H new ATOM 0 HG3 PRO A 132 23.454 -0.546 1.229 1.00 63.25 H new ATOM 0 HD2 PRO A 132 20.815 -0.369 1.893 1.00 14.00 H new ATOM 0 HD3 PRO A 132 21.704 1.054 1.388 1.00 14.00 H new ATOM 2107 N ILE A 133 20.935 -2.077 -2.940 1.00 54.45 N ATOM 2108 CA ILE A 133 20.524 -3.329 -3.571 1.00 74.23 C ATOM 2109 C ILE A 133 20.803 -4.588 -2.726 1.00 25.52 C ATOM 2110 O ILE A 133 20.164 -5.629 -2.911 1.00 2.30 O ATOM 2111 CB ILE A 133 21.134 -3.375 -4.994 1.00 52.32 C ATOM 2112 CG1 ILE A 133 20.690 -4.621 -5.782 1.00 73.23 C ATOM 2113 CG2 ILE A 133 22.670 -3.284 -4.964 1.00 72.24 C ATOM 2114 CD1 ILE A 133 20.815 -4.478 -7.303 1.00 20.30 C ATOM 0 H ILE A 133 21.496 -1.500 -3.567 1.00 54.45 H new ATOM 0 HA ILE A 133 19.437 -3.342 -3.649 1.00 74.23 H new ATOM 0 HB ILE A 133 20.749 -2.497 -5.513 1.00 52.32 H new ATOM 0 HG12 ILE A 133 21.286 -5.474 -5.458 1.00 73.23 H new ATOM 0 HG13 ILE A 133 19.653 -4.844 -5.533 1.00 73.23 H new ATOM 0 HG21 ILE A 133 23.057 -3.320 -5.983 1.00 72.24 H new ATOM 0 HG22 ILE A 133 22.970 -2.347 -4.495 1.00 72.24 H new ATOM 0 HG23 ILE A 133 23.073 -4.121 -4.393 1.00 72.24 H new ATOM 0 HD11 ILE A 133 20.482 -5.398 -7.784 1.00 20.30 H new ATOM 0 HD12 ILE A 133 20.196 -3.647 -7.642 1.00 20.30 H new ATOM 0 HD13 ILE A 133 21.855 -4.287 -7.566 1.00 20.30 H new ATOM 2126 N GLY A 134 21.755 -4.531 -1.797 1.00 3.20 N ATOM 2127 CA GLY A 134 22.138 -5.658 -0.966 1.00 42.45 C ATOM 2128 C GLY A 134 21.181 -5.896 0.191 1.00 22.51 C ATOM 2129 O GLY A 134 20.742 -7.036 0.367 1.00 64.44 O ATOM 0 H GLY A 134 22.288 -3.683 -1.601 1.00 3.20 H new ATOM 0 HA2 GLY A 134 22.186 -6.556 -1.581 1.00 42.45 H new ATOM 0 HA3 GLY A 134 23.140 -5.488 -0.572 1.00 42.45 H new ATOM 2133 N GLU A 135 20.831 -4.852 0.946 1.00 10.10 N ATOM 2134 CA GLU A 135 20.109 -4.970 2.220 1.00 73.35 C ATOM 2135 C GLU A 135 18.719 -5.595 2.097 1.00 30.50 C ATOM 2136 O GLU A 135 18.147 -6.019 3.103 1.00 72.55 O ATOM 2137 CB GLU A 135 20.044 -3.601 2.911 1.00 72.55 C ATOM 2138 CG GLU A 135 21.318 -3.310 3.709 1.00 70.53 C ATOM 2139 CD GLU A 135 21.466 -4.234 4.923 1.00 33.23 C ATOM 2140 OE1 GLU A 135 22.054 -5.331 4.796 1.00 4.12 O ATOM 2141 OE2 GLU A 135 21.013 -3.866 6.032 1.00 10.31 O ATOM 0 H GLU A 135 21.043 -3.888 0.689 1.00 10.10 H new ATOM 0 HA GLU A 135 20.678 -5.667 2.835 1.00 73.35 H new ATOM 0 HB2 GLU A 135 19.897 -2.822 2.163 1.00 72.55 H new ATOM 0 HB3 GLU A 135 19.182 -3.570 3.577 1.00 72.55 H new ATOM 0 HG2 GLU A 135 22.186 -3.425 3.059 1.00 70.53 H new ATOM 0 HG3 GLU A 135 21.306 -2.273 4.044 1.00 70.53 H new ATOM 2148 N LEU A 136 18.222 -5.735 0.869 1.00 62.55 N ATOM 2149 CA LEU A 136 16.914 -6.246 0.508 1.00 25.14 C ATOM 2150 C LEU A 136 16.582 -7.501 1.309 1.00 43.24 C ATOM 2151 O LEU A 136 15.521 -7.574 1.918 1.00 53.31 O ATOM 2152 CB LEU A 136 16.885 -6.494 -1.014 1.00 65.14 C ATOM 2153 CG LEU A 136 15.533 -6.180 -1.690 1.00 45.23 C ATOM 2154 CD1 LEU A 136 15.511 -6.828 -3.080 1.00 23.32 C ATOM 2155 CD2 LEU A 136 14.289 -6.660 -0.936 1.00 3.34 C ATOM 0 H LEU A 136 18.767 -5.474 0.047 1.00 62.55 H new ATOM 0 HA LEU A 136 16.143 -5.515 0.754 1.00 25.14 H new ATOM 0 HB2 LEU A 136 17.660 -5.888 -1.483 1.00 65.14 H new ATOM 0 HB3 LEU A 136 17.138 -7.537 -1.204 1.00 65.14 H new ATOM 0 HG LEU A 136 15.476 -5.092 -1.718 1.00 45.23 H new ATOM 0 HD11 LEU A 136 14.560 -6.613 -3.567 1.00 23.32 H new ATOM 0 HD12 LEU A 136 16.326 -6.426 -3.682 1.00 23.32 H new ATOM 0 HD13 LEU A 136 15.631 -7.907 -2.980 1.00 23.32 H new ATOM 0 HD21 LEU A 136 13.395 -6.388 -1.498 1.00 3.34 H new ATOM 0 HD22 LEU A 136 14.329 -7.743 -0.820 1.00 3.34 H new ATOM 0 HD23 LEU A 136 14.256 -6.191 0.047 1.00 3.34 H new ATOM 2167 N LYS A 137 17.505 -8.470 1.373 1.00 50.45 N ATOM 2168 CA LYS A 137 17.339 -9.714 2.130 1.00 64.35 C ATOM 2169 C LYS A 137 16.826 -9.456 3.548 1.00 12.01 C ATOM 2170 O LYS A 137 15.834 -10.073 3.946 1.00 53.13 O ATOM 2171 CB LYS A 137 18.681 -10.465 2.198 1.00 2.22 C ATOM 2172 CG LYS A 137 19.138 -11.117 0.880 1.00 71.53 C ATOM 2173 CD LYS A 137 18.966 -12.645 0.882 1.00 13.31 C ATOM 2174 CE LYS A 137 17.506 -13.073 0.683 1.00 32.14 C ATOM 2175 NZ LYS A 137 17.078 -14.116 1.631 1.00 42.15 N ATOM 0 H LYS A 137 18.402 -8.409 0.892 1.00 50.45 H new ATOM 0 HA LYS A 137 16.596 -10.319 1.610 1.00 64.35 H new ATOM 0 HB2 LYS A 137 19.452 -9.768 2.526 1.00 2.22 H new ATOM 0 HB3 LYS A 137 18.607 -11.240 2.961 1.00 2.22 H new ATOM 0 HG2 LYS A 137 18.569 -10.693 0.053 1.00 71.53 H new ATOM 0 HG3 LYS A 137 20.186 -10.874 0.703 1.00 71.53 H new ATOM 0 HD2 LYS A 137 19.579 -13.077 0.091 1.00 13.31 H new ATOM 0 HD3 LYS A 137 19.334 -13.047 1.826 1.00 13.31 H new ATOM 0 HE2 LYS A 137 16.860 -12.202 0.793 1.00 32.14 H new ATOM 0 HE3 LYS A 137 17.376 -13.440 -0.335 1.00 32.14 H new ATOM 0 HZ1 LYS A 137 16.085 -14.364 1.449 1.00 42.15 H new ATOM 0 HZ2 LYS A 137 17.674 -14.960 1.511 1.00 42.15 H new ATOM 0 HZ3 LYS A 137 17.173 -13.761 2.604 1.00 42.15 H new ATOM 2189 N GLN A 138 17.482 -8.570 4.299 1.00 32.11 N ATOM 2190 CA GLN A 138 17.104 -8.250 5.667 1.00 3.42 C ATOM 2191 C GLN A 138 15.691 -7.666 5.691 1.00 44.25 C ATOM 2192 O GLN A 138 14.870 -8.067 6.510 1.00 65.52 O ATOM 2193 CB GLN A 138 18.146 -7.295 6.280 1.00 22.31 C ATOM 2194 CG GLN A 138 17.856 -6.956 7.751 1.00 11.20 C ATOM 2195 CD GLN A 138 17.759 -8.202 8.631 1.00 5.32 C ATOM 2196 OE1 GLN A 138 18.643 -9.055 8.605 1.00 12.32 O ATOM 2197 NE2 GLN A 138 16.682 -8.359 9.378 1.00 34.32 N ATOM 0 H GLN A 138 18.296 -8.053 3.968 1.00 32.11 H new ATOM 0 HA GLN A 138 17.090 -9.154 6.276 1.00 3.42 H new ATOM 0 HB2 GLN A 138 19.135 -7.748 6.205 1.00 22.31 H new ATOM 0 HB3 GLN A 138 18.173 -6.373 5.699 1.00 22.31 H new ATOM 0 HG2 GLN A 138 18.643 -6.306 8.133 1.00 11.20 H new ATOM 0 HG3 GLN A 138 16.922 -6.397 7.814 1.00 11.20 H new ATOM 0 HE21 GLN A 138 15.958 -7.640 9.387 1.00 34.32 H new ATOM 0 HE22 GLN A 138 16.573 -9.199 9.946 1.00 34.32 H new ATOM 2206 N THR A 139 15.373 -6.766 4.766 1.00 44.01 N ATOM 2207 CA THR A 139 14.062 -6.142 4.669 1.00 23.31 C ATOM 2208 C THR A 139 12.953 -7.187 4.473 1.00 74.42 C ATOM 2209 O THR A 139 11.877 -7.074 5.064 1.00 21.20 O ATOM 2210 CB THR A 139 14.106 -5.138 3.510 1.00 53.31 C ATOM 2211 OG1 THR A 139 15.342 -4.438 3.493 1.00 10.12 O ATOM 2212 CG2 THR A 139 12.984 -4.116 3.602 1.00 25.14 C ATOM 0 H THR A 139 16.029 -6.446 4.054 1.00 44.01 H new ATOM 0 HA THR A 139 13.825 -5.624 5.599 1.00 23.31 H new ATOM 0 HB THR A 139 13.988 -5.719 2.595 1.00 53.31 H new ATOM 0 HG1 THR A 139 15.349 -3.805 2.745 1.00 10.12 H new ATOM 0 HG21 THR A 139 13.052 -3.424 2.762 1.00 25.14 H new ATOM 0 HG22 THR A 139 12.022 -4.628 3.573 1.00 25.14 H new ATOM 0 HG23 THR A 139 13.072 -3.562 4.537 1.00 25.14 H new ATOM 2220 N ILE A 140 13.206 -8.239 3.684 1.00 43.05 N ATOM 2221 CA ILE A 140 12.232 -9.307 3.488 1.00 14.10 C ATOM 2222 C ILE A 140 12.037 -10.064 4.809 1.00 2.34 C ATOM 2223 O ILE A 140 10.909 -10.451 5.128 1.00 31.30 O ATOM 2224 CB ILE A 140 12.623 -10.256 2.326 1.00 52.13 C ATOM 2225 CG1 ILE A 140 12.972 -9.501 1.022 1.00 25.40 C ATOM 2226 CG2 ILE A 140 11.437 -11.181 2.048 1.00 25.20 C ATOM 2227 CD1 ILE A 140 13.153 -10.350 -0.242 1.00 53.01 C ATOM 0 H ILE A 140 14.079 -8.368 3.173 1.00 43.05 H new ATOM 0 HA ILE A 140 11.282 -8.860 3.194 1.00 14.10 H new ATOM 0 HB ILE A 140 13.513 -10.806 2.632 1.00 52.13 H new ATOM 0 HG12 ILE A 140 12.185 -8.771 0.831 1.00 25.40 H new ATOM 0 HG13 ILE A 140 13.892 -8.941 1.190 1.00 25.40 H new ATOM 0 HG21 ILE A 140 11.688 -11.860 1.233 1.00 25.20 H new ATOM 0 HG22 ILE A 140 11.208 -11.759 2.944 1.00 25.20 H new ATOM 0 HG23 ILE A 140 10.568 -10.585 1.769 1.00 25.20 H new ATOM 0 HD11 ILE A 140 13.394 -9.702 -1.084 1.00 53.01 H new ATOM 0 HD12 ILE A 140 13.963 -11.063 -0.089 1.00 53.01 H new ATOM 0 HD13 ILE A 140 12.230 -10.890 -0.453 1.00 53.01 H new ATOM 2239 N GLN A 141 13.108 -10.269 5.588 1.00 45.32 N ATOM 2240 CA GLN A 141 12.988 -10.867 6.911 1.00 45.41 C ATOM 2241 C GLN A 141 12.061 -10.029 7.775 1.00 61.42 C ATOM 2242 O GLN A 141 11.102 -10.566 8.324 1.00 30.22 O ATOM 2243 CB GLN A 141 14.348 -11.145 7.576 1.00 10.00 C ATOM 2244 CG GLN A 141 15.273 -12.030 6.709 1.00 2.43 C ATOM 2245 CD GLN A 141 16.003 -13.118 7.498 1.00 24.23 C ATOM 2246 OE1 GLN A 141 16.187 -13.034 8.708 1.00 30.10 O ATOM 2247 NE2 GLN A 141 16.359 -14.223 6.864 1.00 74.44 N ATOM 0 H GLN A 141 14.062 -10.028 5.320 1.00 45.32 H new ATOM 0 HA GLN A 141 12.539 -11.853 6.794 1.00 45.41 H new ATOM 0 HB2 GLN A 141 14.847 -10.198 7.780 1.00 10.00 H new ATOM 0 HB3 GLN A 141 14.184 -11.632 8.537 1.00 10.00 H new ATOM 0 HG2 GLN A 141 14.680 -12.499 5.924 1.00 2.43 H new ATOM 0 HG3 GLN A 141 16.010 -11.396 6.216 1.00 2.43 H new ATOM 0 HE21 GLN A 141 16.211 -14.304 5.858 1.00 74.44 H new ATOM 0 HE22 GLN A 141 16.782 -14.994 7.381 1.00 74.44 H new ATOM 2256 N ASN A 142 12.297 -8.724 7.802 1.00 65.15 N ATOM 2257 CA ASN A 142 11.607 -7.788 8.683 1.00 24.33 C ATOM 2258 C ASN A 142 10.104 -7.771 8.413 1.00 2.40 C ATOM 2259 O ASN A 142 9.302 -7.808 9.346 1.00 61.32 O ATOM 2260 CB ASN A 142 12.163 -6.365 8.523 1.00 72.52 C ATOM 2261 CG ASN A 142 13.639 -6.215 8.865 1.00 10.11 C ATOM 2262 OD1 ASN A 142 14.202 -6.963 9.655 1.00 13.00 O ATOM 2263 ND2 ASN A 142 14.307 -5.221 8.311 1.00 32.12 N ATOM 0 H ASN A 142 12.988 -8.276 7.200 1.00 65.15 H new ATOM 0 HA ASN A 142 11.779 -8.129 9.704 1.00 24.33 H new ATOM 0 HB2 ASN A 142 12.008 -6.043 7.493 1.00 72.52 H new ATOM 0 HB3 ASN A 142 11.587 -5.691 9.157 1.00 72.52 H new ATOM 0 HD21 ASN A 142 15.290 -5.077 8.541 1.00 32.12 H new ATOM 0 HD22 ASN A 142 13.840 -4.597 7.653 1.00 32.12 H new ATOM 2270 N VAL A 143 9.690 -7.728 7.143 1.00 5.10 N ATOM 2271 CA VAL A 143 8.277 -7.533 6.803 1.00 42.04 C ATOM 2272 C VAL A 143 7.437 -8.735 7.233 1.00 50.05 C ATOM 2273 O VAL A 143 6.259 -8.596 7.567 1.00 32.11 O ATOM 2274 CB VAL A 143 8.152 -7.204 5.301 1.00 51.15 C ATOM 2275 CG1 VAL A 143 6.725 -7.324 4.748 1.00 61.45 C ATOM 2276 CG2 VAL A 143 8.622 -5.759 5.104 1.00 13.41 C ATOM 0 H VAL A 143 10.309 -7.825 6.338 1.00 5.10 H new ATOM 0 HA VAL A 143 7.877 -6.684 7.357 1.00 42.04 H new ATOM 0 HB VAL A 143 8.757 -7.931 4.760 1.00 51.15 H new ATOM 0 HG11 VAL A 143 6.724 -7.076 3.687 1.00 61.45 H new ATOM 0 HG12 VAL A 143 6.367 -8.345 4.883 1.00 61.45 H new ATOM 0 HG13 VAL A 143 6.069 -6.636 5.282 1.00 61.45 H new ATOM 0 HG21 VAL A 143 8.547 -5.492 4.050 1.00 13.41 H new ATOM 0 HG22 VAL A 143 7.996 -5.089 5.693 1.00 13.41 H new ATOM 0 HG23 VAL A 143 9.658 -5.666 5.429 1.00 13.41 H new ATOM 2286 N LYS A 144 8.029 -9.929 7.271 1.00 13.32 N ATOM 2287 CA LYS A 144 7.320 -11.103 7.758 1.00 65.13 C ATOM 2288 C LYS A 144 6.940 -10.955 9.235 1.00 30.40 C ATOM 2289 O LYS A 144 6.058 -11.684 9.684 1.00 32.53 O ATOM 2290 CB LYS A 144 8.212 -12.340 7.569 1.00 53.14 C ATOM 2291 CG LYS A 144 8.348 -12.740 6.096 1.00 41.35 C ATOM 2292 CD LYS A 144 9.348 -13.887 5.899 1.00 1.01 C ATOM 2293 CE LYS A 144 10.756 -13.523 6.382 1.00 41.03 C ATOM 2294 NZ LYS A 144 11.087 -14.043 7.734 1.00 45.25 N ATOM 0 H LYS A 144 8.989 -10.104 6.973 1.00 13.32 H new ATOM 0 HA LYS A 144 6.397 -11.214 7.188 1.00 65.13 H new ATOM 0 HB2 LYS A 144 9.201 -12.138 7.981 1.00 53.14 H new ATOM 0 HB3 LYS A 144 7.796 -13.175 8.133 1.00 53.14 H new ATOM 0 HG2 LYS A 144 7.373 -13.039 5.711 1.00 41.35 H new ATOM 0 HG3 LYS A 144 8.669 -11.876 5.514 1.00 41.35 H new ATOM 0 HD2 LYS A 144 8.998 -14.767 6.438 1.00 1.01 H new ATOM 0 HD3 LYS A 144 9.387 -14.154 4.843 1.00 1.01 H new ATOM 0 HE2 LYS A 144 11.484 -13.908 5.668 1.00 41.03 H new ATOM 0 HE3 LYS A 144 10.858 -12.438 6.387 1.00 41.03 H new ATOM 0 HZ1 LYS A 144 11.834 -13.457 8.158 1.00 45.25 H new ATOM 0 HZ2 LYS A 144 10.239 -14.012 8.335 1.00 45.25 H new ATOM 0 HZ3 LYS A 144 11.420 -15.025 7.656 1.00 45.25 H new ATOM 2308 N GLU A 145 7.606 -10.093 9.999 1.00 42.22 N ATOM 2309 CA GLU A 145 7.476 -9.984 11.447 1.00 23.31 C ATOM 2310 C GLU A 145 6.444 -8.933 11.806 1.00 44.34 C ATOM 2311 O GLU A 145 5.607 -9.187 12.670 1.00 25.54 O ATOM 2312 CB GLU A 145 8.835 -9.667 12.079 1.00 63.35 C ATOM 2313 CG GLU A 145 9.848 -10.697 11.589 1.00 2.32 C ATOM 2314 CD GLU A 145 11.232 -10.612 12.206 1.00 51.31 C ATOM 2315 OE1 GLU A 145 11.537 -9.637 12.934 1.00 33.54 O ATOM 2316 OE2 GLU A 145 12.007 -11.550 11.905 1.00 21.24 O ATOM 0 H GLU A 145 8.275 -9.428 9.611 1.00 42.22 H new ATOM 0 HA GLU A 145 7.134 -10.939 11.845 1.00 23.31 H new ATOM 0 HB2 GLU A 145 9.155 -8.661 11.806 1.00 63.35 H new ATOM 0 HB3 GLU A 145 8.763 -9.694 13.166 1.00 63.35 H new ATOM 0 HG2 GLU A 145 9.447 -11.692 11.780 1.00 2.32 H new ATOM 0 HG3 GLU A 145 9.946 -10.595 10.508 1.00 2.32 H new ATOM 2323 N GLU A 146 6.432 -7.814 11.074 1.00 23.43 N ATOM 2324 CA GLU A 146 5.273 -6.933 11.013 1.00 70.24 C ATOM 2325 C GLU A 146 4.026 -7.765 10.701 1.00 33.10 C ATOM 2326 O GLU A 146 3.055 -7.747 11.457 1.00 64.13 O ATOM 2327 CB GLU A 146 5.487 -5.854 9.947 1.00 61.31 C ATOM 2328 CG GLU A 146 6.340 -4.682 10.406 1.00 2.31 C ATOM 2329 CD GLU A 146 5.973 -3.381 9.669 1.00 3.01 C ATOM 2330 OE1 GLU A 146 5.402 -3.446 8.556 1.00 65.51 O ATOM 2331 OE2 GLU A 146 6.319 -2.282 10.159 1.00 12.22 O ATOM 0 H GLU A 146 7.223 -7.499 10.512 1.00 23.43 H new ATOM 0 HA GLU A 146 5.138 -6.436 11.974 1.00 70.24 H new ATOM 0 HB2 GLU A 146 5.955 -6.310 9.075 1.00 61.31 H new ATOM 0 HB3 GLU A 146 4.515 -5.478 9.627 1.00 61.31 H new ATOM 0 HG2 GLU A 146 6.213 -4.539 11.479 1.00 2.31 H new ATOM 0 HG3 GLU A 146 7.392 -4.911 10.237 1.00 2.31 H new ATOM 2338 N ASN A 147 4.065 -8.550 9.620 1.00 33.10 N ATOM 2339 CA ASN A 147 2.902 -9.321 9.181 1.00 4.40 C ATOM 2340 C ASN A 147 2.492 -10.371 10.199 1.00 70.11 C ATOM 2341 O ASN A 147 1.312 -10.708 10.283 1.00 32.32 O ATOM 2342 CB ASN A 147 3.178 -10.026 7.847 1.00 11.31 C ATOM 2343 CG ASN A 147 3.318 -9.039 6.707 1.00 50.14 C ATOM 2344 OD1 ASN A 147 3.047 -7.861 6.839 1.00 53.45 O ATOM 2345 ND2 ASN A 147 3.724 -9.492 5.540 1.00 23.14 N ATOM 0 H ASN A 147 4.891 -8.667 9.033 1.00 33.10 H new ATOM 0 HA ASN A 147 2.090 -8.603 9.065 1.00 4.40 H new ATOM 0 HB2 ASN A 147 4.090 -10.617 7.930 1.00 11.31 H new ATOM 0 HB3 ASN A 147 2.367 -10.721 7.629 1.00 11.31 H new ATOM 0 HD21 ASN A 147 3.811 -8.855 4.748 1.00 23.14 H new ATOM 0 HD22 ASN A 147 3.952 -10.480 5.428 1.00 23.14 H new ATOM 2352 N ALA A 148 3.454 -10.939 10.928 1.00 65.25 N ATOM 2353 CA ALA A 148 3.182 -11.875 12.002 1.00 71.12 C ATOM 2354 C ALA A 148 2.405 -11.152 13.098 1.00 1.10 C ATOM 2355 O ALA A 148 1.300 -11.565 13.425 1.00 63.33 O ATOM 2356 CB ALA A 148 4.485 -12.481 12.524 1.00 63.41 C ATOM 0 H ALA A 148 4.447 -10.757 10.783 1.00 65.25 H new ATOM 0 HA ALA A 148 2.574 -12.703 11.636 1.00 71.12 H new ATOM 0 HB1 ALA A 148 4.264 -13.181 13.330 1.00 63.41 H new ATOM 0 HB2 ALA A 148 4.991 -13.007 11.715 1.00 63.41 H new ATOM 0 HB3 ALA A 148 5.130 -11.687 12.900 1.00 63.41 H new ATOM 2362 N ALA A 149 2.928 -10.032 13.602 1.00 21.42 N ATOM 2363 CA ALA A 149 2.295 -9.248 14.658 1.00 32.31 C ATOM 2364 C ALA A 149 0.954 -8.624 14.241 1.00 53.04 C ATOM 2365 O ALA A 149 0.287 -8.029 15.083 1.00 73.35 O ATOM 2366 CB ALA A 149 3.275 -8.158 15.110 1.00 21.22 C ATOM 0 H ALA A 149 3.814 -9.641 13.282 1.00 21.42 H new ATOM 0 HA ALA A 149 2.061 -9.927 15.478 1.00 32.31 H new ATOM 0 HB1 ALA A 149 2.817 -7.562 15.900 1.00 21.22 H new ATOM 0 HB2 ALA A 149 4.186 -8.622 15.487 1.00 21.22 H new ATOM 0 HB3 ALA A 149 3.519 -7.514 14.265 1.00 21.22 H new ATOM 2372 N PHE A 150 0.561 -8.715 12.968 1.00 33.43 N ATOM 2373 CA PHE A 150 -0.797 -8.451 12.516 1.00 1.43 C ATOM 2374 C PHE A 150 -1.609 -9.748 12.593 1.00 51.34 C ATOM 2375 O PHE A 150 -2.618 -9.810 13.295 1.00 41.11 O ATOM 2376 CB PHE A 150 -0.750 -7.866 11.096 1.00 12.04 C ATOM 2377 CG PHE A 150 -2.080 -7.376 10.548 1.00 43.41 C ATOM 2378 CD1 PHE A 150 -3.117 -8.283 10.267 1.00 52.24 C ATOM 2379 CD2 PHE A 150 -2.274 -6.010 10.272 1.00 42.33 C ATOM 2380 CE1 PHE A 150 -4.326 -7.838 9.712 1.00 54.11 C ATOM 2381 CE2 PHE A 150 -3.491 -5.565 9.728 1.00 22.30 C ATOM 2382 CZ PHE A 150 -4.516 -6.477 9.440 1.00 74.13 C ATOM 0 H PHE A 150 1.193 -8.980 12.213 1.00 33.43 H new ATOM 0 HA PHE A 150 -1.289 -7.717 13.155 1.00 1.43 H new ATOM 0 HB2 PHE A 150 -0.044 -7.035 11.087 1.00 12.04 H new ATOM 0 HB3 PHE A 150 -0.356 -8.626 10.421 1.00 12.04 H new ATOM 0 HD1 PHE A 150 -2.981 -9.333 10.481 1.00 52.24 H new ATOM 0 HD2 PHE A 150 -1.486 -5.302 10.479 1.00 42.33 H new ATOM 0 HE1 PHE A 150 -5.112 -8.546 9.494 1.00 54.11 H new ATOM 0 HE2 PHE A 150 -3.638 -4.513 9.530 1.00 22.30 H new ATOM 0 HZ PHE A 150 -5.446 -6.133 9.011 1.00 74.13 H new ATOM 2392 N LYS A 151 -1.205 -10.792 11.852 1.00 63.51 N ATOM 2393 CA LYS A 151 -1.997 -12.015 11.700 1.00 52.44 C ATOM 2394 C LYS A 151 -2.229 -12.735 13.030 1.00 74.35 C ATOM 2395 O LYS A 151 -3.226 -13.432 13.160 1.00 34.53 O ATOM 2396 CB LYS A 151 -1.391 -12.914 10.613 1.00 61.53 C ATOM 2397 CG LYS A 151 -0.271 -13.784 11.178 1.00 71.31 C ATOM 2398 CD LYS A 151 0.466 -14.642 10.150 1.00 23.31 C ATOM 2399 CE LYS A 151 1.168 -13.748 9.127 1.00 44.45 C ATOM 2400 NZ LYS A 151 2.379 -14.384 8.568 1.00 33.23 N ATOM 0 H LYS A 151 -0.321 -10.809 11.344 1.00 63.51 H new ATOM 0 HA LYS A 151 -2.995 -11.733 11.363 1.00 52.44 H new ATOM 0 HB2 LYS A 151 -2.168 -13.548 10.187 1.00 61.53 H new ATOM 0 HB3 LYS A 151 -1.003 -12.298 9.802 1.00 61.53 H new ATOM 0 HG2 LYS A 151 0.453 -13.139 11.676 1.00 71.31 H new ATOM 0 HG3 LYS A 151 -0.691 -14.439 11.941 1.00 71.31 H new ATOM 0 HD2 LYS A 151 1.196 -15.277 10.651 1.00 23.31 H new ATOM 0 HD3 LYS A 151 -0.238 -15.303 9.645 1.00 23.31 H new ATOM 0 HE2 LYS A 151 0.477 -13.513 8.318 1.00 44.45 H new ATOM 0 HE3 LYS A 151 1.440 -12.804 9.598 1.00 44.45 H new ATOM 0 HZ1 LYS A 151 2.822 -13.742 7.880 1.00 33.23 H new ATOM 0 HZ2 LYS A 151 3.051 -14.586 9.336 1.00 33.23 H new ATOM 0 HZ3 LYS A 151 2.118 -15.272 8.095 1.00 33.23 H new ATOM 2414 N GLU A 152 -1.353 -12.541 14.016 1.00 3.42 N ATOM 2415 CA GLU A 152 -1.469 -13.095 15.363 1.00 72.35 C ATOM 2416 C GLU A 152 -2.760 -12.631 16.063 1.00 33.43 C ATOM 2417 O GLU A 152 -3.164 -13.200 17.080 1.00 22.53 O ATOM 2418 CB GLU A 152 -0.222 -12.653 16.152 1.00 23.13 C ATOM 2419 CG GLU A 152 0.147 -13.547 17.340 1.00 53.04 C ATOM 2420 CD GLU A 152 0.546 -14.970 16.923 1.00 53.43 C ATOM 2421 OE1 GLU A 152 1.269 -15.146 15.914 1.00 25.21 O ATOM 2422 OE2 GLU A 152 0.172 -15.933 17.630 1.00 25.21 O ATOM 0 H GLU A 152 -0.514 -11.974 13.893 1.00 3.42 H new ATOM 0 HA GLU A 152 -1.526 -14.182 15.313 1.00 72.35 H new ATOM 0 HB2 GLU A 152 0.626 -12.615 15.469 1.00 23.13 H new ATOM 0 HB3 GLU A 152 -0.383 -11.639 16.517 1.00 23.13 H new ATOM 0 HG2 GLU A 152 0.972 -13.091 17.888 1.00 53.04 H new ATOM 0 HG3 GLU A 152 -0.700 -13.599 18.024 1.00 53.04 H new ATOM 2429 N ILE A 153 -3.406 -11.597 15.520 1.00 71.35 N ATOM 2430 CA ILE A 153 -4.560 -10.885 16.042 1.00 72.45 C ATOM 2431 C ILE A 153 -5.698 -10.982 15.020 1.00 23.50 C ATOM 2432 O ILE A 153 -6.818 -11.349 15.387 1.00 61.01 O ATOM 2433 CB ILE A 153 -4.191 -9.408 16.298 1.00 10.20 C ATOM 2434 CG1 ILE A 153 -2.799 -9.226 16.961 1.00 33.20 C ATOM 2435 CG2 ILE A 153 -5.286 -8.763 17.160 1.00 74.12 C ATOM 2436 CD1 ILE A 153 -2.343 -7.773 17.121 1.00 25.20 C ATOM 0 H ILE A 153 -3.104 -11.208 14.627 1.00 71.35 H new ATOM 0 HA ILE A 153 -4.879 -11.328 16.986 1.00 72.45 H new ATOM 0 HB ILE A 153 -4.126 -8.914 15.329 1.00 10.20 H new ATOM 0 HG12 ILE A 153 -2.818 -9.695 17.945 1.00 33.20 H new ATOM 0 HG13 ILE A 153 -2.058 -9.760 16.367 1.00 33.20 H new ATOM 0 HG21 ILE A 153 -5.034 -7.719 17.347 1.00 74.12 H new ATOM 0 HG22 ILE A 153 -6.241 -8.818 16.637 1.00 74.12 H new ATOM 0 HG23 ILE A 153 -5.361 -9.293 18.109 1.00 74.12 H new ATOM 0 HD11 ILE A 153 -1.361 -7.750 17.593 1.00 25.20 H new ATOM 0 HD12 ILE A 153 -2.286 -7.300 16.141 1.00 25.20 H new ATOM 0 HD13 ILE A 153 -3.057 -7.234 17.743 1.00 25.20 H new ATOM 2448 N HIS A 154 -5.410 -10.646 13.756 1.00 10.43 N ATOM 2449 CA HIS A 154 -6.352 -10.521 12.649 1.00 64.41 C ATOM 2450 C HIS A 154 -5.850 -11.396 11.487 1.00 74.24 C ATOM 2451 O HIS A 154 -5.157 -10.888 10.608 1.00 72.43 O ATOM 2452 CB HIS A 154 -6.502 -9.034 12.277 1.00 24.33 C ATOM 2453 CG HIS A 154 -7.242 -8.195 13.296 1.00 51.54 C ATOM 2454 ND1 HIS A 154 -7.209 -6.822 13.397 1.00 24.24 N ATOM 2455 CD2 HIS A 154 -8.106 -8.645 14.257 1.00 52.55 C ATOM 2456 CE1 HIS A 154 -8.060 -6.459 14.370 1.00 32.23 C ATOM 2457 NE2 HIS A 154 -8.635 -7.540 14.930 1.00 52.12 N ATOM 0 H HIS A 154 -4.453 -10.443 13.467 1.00 10.43 H new ATOM 0 HA HIS A 154 -7.347 -10.875 12.920 1.00 64.41 H new ATOM 0 HB2 HIS A 154 -5.509 -8.609 12.130 1.00 24.33 H new ATOM 0 HB3 HIS A 154 -7.023 -8.964 11.322 1.00 24.33 H new ATOM 0 HD2 HIS A 154 -8.340 -9.679 14.461 1.00 52.55 H new ATOM 0 HE1 HIS A 154 -8.257 -5.438 14.664 1.00 32.23 H new ATOM 0 HE2 HIS A 154 -9.316 -7.550 15.689 1.00 52.12 H new ATOM 2465 N PRO A 155 -6.109 -12.716 11.524 1.00 62.11 N ATOM 2466 CA PRO A 155 -5.499 -13.708 10.634 1.00 43.11 C ATOM 2467 C PRO A 155 -6.155 -13.801 9.244 1.00 31.41 C ATOM 2468 O PRO A 155 -6.120 -14.912 8.663 1.00 71.14 O ATOM 2469 CB PRO A 155 -5.570 -15.023 11.430 1.00 70.41 C ATOM 2470 CG PRO A 155 -6.820 -14.853 12.283 1.00 53.22 C ATOM 2471 CD PRO A 155 -6.771 -13.374 12.640 1.00 71.24 C ATOM 0 HA PRO A 155 -4.476 -13.434 10.378 1.00 43.11 H new ATOM 0 HB2 PRO A 155 -5.648 -15.888 10.771 1.00 70.41 H new ATOM 0 HB3 PRO A 155 -4.681 -15.169 12.044 1.00 70.41 H new ATOM 0 HG2 PRO A 155 -7.726 -15.109 11.733 1.00 53.22 H new ATOM 0 HG3 PRO A 155 -6.796 -15.486 13.170 1.00 53.22 H new ATOM 0 HD2 PRO A 155 -7.774 -12.975 12.789 1.00 71.24 H new ATOM 0 HD3 PRO A 155 -6.223 -13.214 13.569 1.00 71.24 H new TER 2479 PRO A 155