USER MOD reduce.3.24.130724 H: found=0, std=0, add=934, rem=0, adj=35 USER MOD reduce.3.24.130724 removed 932 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 NoAdj-H: A 49 HIS HD1 : A 49 HIS ND1 : A 201 CU1CU :(H bumps) USER MOD NoAdj-H: A 118 HIS HD1 : A 118 HIS ND1 : A 201 CU1CU :(H bumps) USER MOD Set 1.1: A 50 ASN : amide:sc= 0.426 K(o=2.3,f=-9.7!) USER MOD Set 1.2: A 114 THR OG1 : rot 130:sc= 1.92 USER MOD Set 2.1: A 33 THR OG1 : rot 180:sc= 0.946 USER MOD Set 2.2: A 98 THR OG1 : rot -81:sc= 1.1 USER MOD Set 3.1: A 42 GLN : amide:sc= -0.928 K(o=-1.1,f=-3.7!) USER MOD Set 3.2: A 47 MET CE :methyl -152:sc= -0.176 (180deg=-0.97) USER MOD Set 4.1: A 35 THR OG1 : rot 180:sc= 0.662 USER MOD Set 4.2: A 96 SER OG : rot -124:sc= 0.641 USER MOD Set 5.1: A 13 ASN : amide:sc= -0.82 K(o=-0.82,f=-6.1!) USER MOD Set 5.2: A 15 ASN :FLIP amide:sc=-0.00281 F(o=-1.6,f=-0.82) USER MOD Set 6.1: A 6 CYS SG : rot -34:sc= 1.04 USER MOD Set 6.2: A 26 SER OG : rot 116:sc= 1.12 USER MOD Set 6.3: A 29 CYS SG : rot -38:sc= -2.2! USER MOD Single : A 1 ALA N :NH3+ 171:sc= 0 (180deg=-0.0887) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0.0144 USER MOD Single : A 5 ASN : amide:sc= -0.0453 K(o=-0.045,f=-1.4!) USER MOD Single : A 9 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 MET CE :methyl -142:sc= -0.208 (180deg=-0.75) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.0567 F(o=-1,f=-0.057) USER MOD Single : A 19 ASN : amide:sc= -2.14! C(o=-2.1!,f=-4.1!) USER MOD Single : A 20 THR OG1 : rot -131:sc= 0.948 USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 GLN :FLIP amide:sc=-0.00953 F(o=-0.98,f=-0.0095) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 LYS NZ :NH3+ -166:sc=-0.00973 (180deg=-0.19) USER MOD Single : A 37 LYS NZ :NH3+ 164:sc= -0.0149 (180deg=-0.177) USER MOD Single : A 38 HIS : no HD1:sc= -0.682 K(o=-0.68,f=-5.2!) USER MOD Single : A 39 THR OG1 : rot 180:sc= 0 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 SER OG : rot 180:sc= -0.138 USER MOD Single : A 55 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 MET CE :methyl -171:sc= -0.0243 (180deg=-0.0557) USER MOD Single : A 64 LYS NZ :NH3+ 179:sc= 1 (180deg=0.993) USER MOD Single : A 72 THR OG1 : rot -51:sc= 0.354 USER MOD Single : A 74 TYR OH : rot 180:sc= 0 USER MOD Single : A 76 LYS NZ :NH3+ 178:sc= 0 (180deg=-0.0168) USER MOD Single : A 85 HIS : no HD1:sc= 0.619 K(o=0.62,f=-6.2!) USER MOD Single : A 86 THR OG1 : rot 170:sc= 0.979 USER MOD Single : A 87 LYS NZ :NH3+ 167:sc= 1.54 (180deg=1.19) USER MOD Single : A 95 SER OG : rot 117:sc= 0.521 USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 TYR OH : rot 25:sc= 1.25 USER MOD Single : A 110 LYS NZ :NH3+ 180:sc= -0.282 (180deg=-0.282) USER MOD Single : A 122 MET CE :methyl -166:sc= -5.49 (180deg=-6.62!) USER MOD Single : A 123 ASN : amide:sc= 0.691 K(o=0.69,f=-0.018) USER MOD Single : A 125 LYS NZ :NH3+ -152:sc= 0.341 (180deg=-0.599!) USER MOD Single : A 127 THR OG1 : rot 121:sc= 0.869 USER MOD ----------------------------------------------------------------- ATOM 1 N ALA A 1 18.443 14.692 -1.735 1.00 2.91 N ATOM 2 CA ALA A 1 17.174 13.993 -1.432 1.00 2.57 C ATOM 3 C ALA A 1 17.312 12.493 -1.677 1.00 1.99 C ATOM 4 O ALA A 1 16.393 11.847 -2.177 1.00 2.38 O ATOM 5 CB ALA A 1 16.043 14.569 -2.273 1.00 3.08 C ATOM 0 H1 ALA A 1 18.288 15.720 -1.710 1.00 2.91 H new ATOM 0 H2 ALA A 1 19.160 14.433 -1.027 1.00 2.91 H new ATOM 0 H3 ALA A 1 18.775 14.415 -2.681 1.00 2.91 H new ATOM 0 HA ALA A 1 16.939 14.145 -0.379 1.00 2.57 H new ATOM 0 HB1 ALA A 1 15.115 14.047 -2.041 1.00 3.08 H new ATOM 0 HB2 ALA A 1 15.928 15.630 -2.050 1.00 3.08 H new ATOM 0 HB3 ALA A 1 16.276 14.443 -3.330 1.00 3.08 H new ATOM 13 N THR A 2 18.463 11.938 -1.317 1.00 1.76 N ATOM 14 CA THR A 2 18.729 10.525 -1.538 1.00 1.96 C ATOM 15 C THR A 2 18.348 9.686 -0.323 1.00 1.89 C ATOM 16 O THR A 2 17.659 8.677 -0.449 1.00 2.41 O ATOM 17 CB THR A 2 20.212 10.291 -1.878 1.00 2.75 C ATOM 18 OG1 THR A 2 21.042 11.004 -0.949 1.00 3.16 O ATOM 19 CG2 THR A 2 20.523 10.747 -3.295 1.00 3.52 C ATOM 0 H THR A 2 19.226 12.447 -0.871 1.00 1.76 H new ATOM 0 HA THR A 2 18.114 10.213 -2.382 1.00 1.96 H new ATOM 0 HB THR A 2 20.415 9.223 -1.806 1.00 2.75 H new ATOM 0 HG1 THR A 2 21.985 10.851 -1.168 1.00 3.16 H new ATOM 0 HG21 THR A 2 21.577 10.571 -3.511 1.00 3.52 H new ATOM 0 HG22 THR A 2 19.910 10.186 -4.000 1.00 3.52 H new ATOM 0 HG23 THR A 2 20.306 11.811 -3.391 1.00 3.52 H new ATOM 27 N ALA A 3 18.805 10.100 0.852 1.00 1.90 N ATOM 28 CA ALA A 3 18.508 9.373 2.082 1.00 2.01 C ATOM 29 C ALA A 3 17.887 10.290 3.130 1.00 1.85 C ATOM 30 O ALA A 3 17.618 9.873 4.257 1.00 2.22 O ATOM 31 CB ALA A 3 19.772 8.719 2.627 1.00 2.32 C ATOM 0 H ALA A 3 19.381 10.932 0.980 1.00 1.90 H new ATOM 0 HA ALA A 3 17.782 8.595 1.847 1.00 2.01 H new ATOM 0 HB1 ALA A 3 19.536 8.180 3.545 1.00 2.32 H new ATOM 0 HB2 ALA A 3 20.169 8.022 1.889 1.00 2.32 H new ATOM 0 HB3 ALA A 3 20.517 9.486 2.838 1.00 2.32 H new ATOM 37 N GLY A 4 17.647 11.538 2.750 1.00 1.52 N ATOM 38 CA GLY A 4 17.075 12.498 3.673 1.00 1.51 C ATOM 39 C GLY A 4 15.564 12.504 3.625 1.00 1.33 C ATOM 40 O GLY A 4 14.938 13.565 3.595 1.00 1.56 O ATOM 0 H GLY A 4 17.839 11.903 1.817 1.00 1.52 H new ATOM 0 HA2 GLY A 4 17.404 12.266 4.686 1.00 1.51 H new ATOM 0 HA3 GLY A 4 17.449 13.494 3.437 1.00 1.51 H new ATOM 44 N ASN A 5 14.977 11.316 3.601 1.00 1.15 N ATOM 45 CA ASN A 5 13.530 11.174 3.567 1.00 0.97 C ATOM 46 C ASN A 5 13.142 9.755 3.956 1.00 0.71 C ATOM 47 O ASN A 5 13.201 8.839 3.139 1.00 0.69 O ATOM 48 CB ASN A 5 12.981 11.500 2.173 1.00 1.07 C ATOM 49 CG ASN A 5 11.480 11.716 2.189 1.00 1.55 C ATOM 50 OD1 ASN A 5 10.928 12.190 3.182 1.00 2.21 O ATOM 51 ND2 ASN A 5 10.811 11.382 1.096 1.00 2.26 N ATOM 0 H ASN A 5 15.485 10.432 3.605 1.00 1.15 H new ATOM 0 HA ASN A 5 13.098 11.877 4.279 1.00 0.97 H new ATOM 0 HB2 ASN A 5 13.472 12.395 1.790 1.00 1.07 H new ATOM 0 HB3 ASN A 5 13.223 10.687 1.489 1.00 1.07 H new ATOM 0 HD21 ASN A 5 9.800 11.515 1.056 1.00 2.26 H new ATOM 0 HD22 ASN A 5 11.306 10.992 0.294 1.00 2.26 H new ATOM 58 N CYS A 6 12.764 9.575 5.212 1.00 0.62 N ATOM 59 CA CYS A 6 12.407 8.257 5.721 1.00 0.41 C ATOM 60 C CYS A 6 10.898 8.128 5.890 1.00 0.34 C ATOM 61 O CYS A 6 10.410 7.224 6.571 1.00 0.34 O ATOM 62 CB CYS A 6 13.107 8.000 7.058 1.00 0.49 C ATOM 63 SG CYS A 6 14.926 8.039 6.962 1.00 0.59 S ATOM 0 H CYS A 6 12.696 10.325 5.900 1.00 0.62 H new ATOM 0 HA CYS A 6 12.736 7.513 4.996 1.00 0.41 H new ATOM 0 HB2 CYS A 6 12.775 8.747 7.779 1.00 0.49 H new ATOM 0 HB3 CYS A 6 12.794 7.028 7.439 1.00 0.49 H new ATOM 0 HG CYS A 6 15.310 7.570 5.812 1.00 0.59 H new ATOM 68 N ALA A 7 10.161 9.030 5.262 1.00 0.32 N ATOM 69 CA ALA A 7 8.712 9.031 5.355 1.00 0.27 C ATOM 70 C ALA A 7 8.102 9.701 4.137 1.00 0.25 C ATOM 71 O ALA A 7 8.678 10.635 3.584 1.00 0.31 O ATOM 72 CB ALA A 7 8.260 9.731 6.629 1.00 0.31 C ATOM 0 H ALA A 7 10.546 9.774 4.680 1.00 0.32 H new ATOM 0 HA ALA A 7 8.368 7.997 5.389 1.00 0.27 H new ATOM 0 HB1 ALA A 7 7.171 9.722 6.682 1.00 0.31 H new ATOM 0 HB2 ALA A 7 8.670 9.211 7.495 1.00 0.31 H new ATOM 0 HB3 ALA A 7 8.615 10.762 6.623 1.00 0.31 H new ATOM 78 N ALA A 8 6.944 9.222 3.718 1.00 0.22 N ATOM 79 CA ALA A 8 6.251 9.790 2.573 1.00 0.22 C ATOM 80 C ALA A 8 4.745 9.715 2.771 1.00 0.19 C ATOM 81 O ALA A 8 4.234 8.747 3.338 1.00 0.20 O ATOM 82 CB ALA A 8 6.653 9.071 1.294 1.00 0.27 C ATOM 0 H ALA A 8 6.461 8.437 4.155 1.00 0.22 H new ATOM 0 HA ALA A 8 6.537 10.838 2.485 1.00 0.22 H new ATOM 0 HB1 ALA A 8 6.124 9.510 0.448 1.00 0.27 H new ATOM 0 HB2 ALA A 8 7.728 9.172 1.142 1.00 0.27 H new ATOM 0 HB3 ALA A 8 6.396 8.015 1.374 1.00 0.27 H new ATOM 88 N THR A 9 4.039 10.737 2.319 1.00 0.23 N ATOM 89 CA THR A 9 2.595 10.766 2.438 1.00 0.23 C ATOM 90 C THR A 9 1.941 10.531 1.085 1.00 0.23 C ATOM 91 O THR A 9 2.301 11.159 0.089 1.00 0.29 O ATOM 92 CB THR A 9 2.102 12.109 3.006 1.00 0.29 C ATOM 93 OG1 THR A 9 2.862 12.458 4.169 1.00 0.84 O ATOM 94 CG2 THR A 9 0.627 12.030 3.372 1.00 0.70 C ATOM 0 H THR A 9 4.444 11.557 1.867 1.00 0.23 H new ATOM 0 HA THR A 9 2.314 9.969 3.126 1.00 0.23 H new ATOM 0 HB THR A 9 2.235 12.873 2.240 1.00 0.29 H new ATOM 0 HG1 THR A 9 2.543 13.314 4.523 1.00 0.84 H new ATOM 0 HG21 THR A 9 0.299 12.990 3.771 1.00 0.70 H new ATOM 0 HG22 THR A 9 0.044 11.789 2.483 1.00 0.70 H new ATOM 0 HG23 THR A 9 0.480 11.255 4.124 1.00 0.70 H new ATOM 102 N VAL A 10 0.991 9.616 1.056 1.00 0.21 N ATOM 103 CA VAL A 10 0.227 9.335 -0.144 1.00 0.22 C ATOM 104 C VAL A 10 -1.246 9.583 0.127 1.00 0.22 C ATOM 105 O VAL A 10 -1.773 9.163 1.155 1.00 0.26 O ATOM 106 CB VAL A 10 0.422 7.878 -0.616 1.00 0.29 C ATOM 107 CG1 VAL A 10 -0.391 7.604 -1.874 1.00 0.62 C ATOM 108 CG2 VAL A 10 1.894 7.580 -0.859 1.00 0.87 C ATOM 0 H VAL A 10 0.728 9.048 1.861 1.00 0.21 H new ATOM 0 HA VAL A 10 0.584 9.996 -0.933 1.00 0.22 H new ATOM 0 HB VAL A 10 0.065 7.218 0.175 1.00 0.29 H new ATOM 0 HG11 VAL A 10 -0.238 6.572 -2.188 1.00 0.62 H new ATOM 0 HG12 VAL A 10 -1.449 7.767 -1.667 1.00 0.62 H new ATOM 0 HG13 VAL A 10 -0.069 8.277 -2.669 1.00 0.62 H new ATOM 0 HG21 VAL A 10 2.006 6.548 -1.191 1.00 0.87 H new ATOM 0 HG22 VAL A 10 2.279 8.252 -1.626 1.00 0.87 H new ATOM 0 HG23 VAL A 10 2.452 7.727 0.066 1.00 0.87 H new ATOM 118 N GLU A 11 -1.907 10.277 -0.777 1.00 0.23 N ATOM 119 CA GLU A 11 -3.319 10.558 -0.609 1.00 0.25 C ATOM 120 C GLU A 11 -4.154 9.709 -1.555 1.00 0.23 C ATOM 121 O GLU A 11 -3.755 9.439 -2.691 1.00 0.29 O ATOM 122 CB GLU A 11 -3.617 12.044 -0.829 1.00 0.29 C ATOM 123 CG GLU A 11 -2.857 12.970 0.110 1.00 1.09 C ATOM 124 CD GLU A 11 -3.206 14.426 -0.100 1.00 1.31 C ATOM 125 OE1 GLU A 11 -4.189 14.894 0.508 1.00 1.14 O1- ATOM 126 OE2 GLU A 11 -2.497 15.113 -0.868 1.00 1.98 O ATOM 0 H GLU A 11 -1.494 10.655 -1.630 1.00 0.23 H new ATOM 0 HA GLU A 11 -3.587 10.304 0.417 1.00 0.25 H new ATOM 0 HB2 GLU A 11 -3.372 12.305 -1.858 1.00 0.29 H new ATOM 0 HB3 GLU A 11 -4.686 12.213 -0.703 1.00 0.29 H new ATOM 0 HG2 GLU A 11 -3.074 12.693 1.142 1.00 1.09 H new ATOM 0 HG3 GLU A 11 -1.786 12.832 -0.038 1.00 1.09 H new ATOM 133 N SER A 12 -5.293 9.270 -1.057 1.00 0.22 N ATOM 134 CA SER A 12 -6.267 8.553 -1.854 1.00 0.21 C ATOM 135 C SER A 12 -7.595 9.297 -1.793 1.00 0.20 C ATOM 136 O SER A 12 -8.009 9.761 -0.728 1.00 0.23 O ATOM 137 CB SER A 12 -6.422 7.118 -1.340 1.00 0.29 C ATOM 138 OG SER A 12 -6.522 7.091 0.076 1.00 0.97 O ATOM 0 H SER A 12 -5.570 9.401 -0.084 1.00 0.22 H new ATOM 0 HA SER A 12 -5.931 8.501 -2.890 1.00 0.21 H new ATOM 0 HB2 SER A 12 -7.311 6.665 -1.779 1.00 0.29 H new ATOM 0 HB3 SER A 12 -5.568 6.520 -1.659 1.00 0.29 H new ATOM 0 HG SER A 12 -6.622 6.164 0.379 1.00 0.97 H new ATOM 144 N ASN A 13 -8.259 9.422 -2.923 1.00 0.19 N ATOM 145 CA ASN A 13 -9.447 10.255 -3.003 1.00 0.24 C ATOM 146 C ASN A 13 -10.648 9.457 -3.493 1.00 0.24 C ATOM 147 O ASN A 13 -10.551 8.252 -3.739 1.00 0.19 O ATOM 148 CB ASN A 13 -9.176 11.452 -3.925 1.00 0.32 C ATOM 149 CG ASN A 13 -8.976 11.059 -5.380 1.00 0.34 C ATOM 150 OD1 ASN A 13 -8.675 9.908 -5.701 1.00 0.89 O ATOM 151 ND2 ASN A 13 -9.118 12.025 -6.270 1.00 1.14 N ATOM 0 H ASN A 13 -8.001 8.962 -3.796 1.00 0.19 H new ATOM 0 HA ASN A 13 -9.684 10.621 -2.004 1.00 0.24 H new ATOM 0 HB2 ASN A 13 -10.010 12.151 -3.856 1.00 0.32 H new ATOM 0 HB3 ASN A 13 -8.289 11.979 -3.573 1.00 0.32 H new ATOM 0 HD21 ASN A 13 -8.978 11.830 -7.261 1.00 1.14 H new ATOM 0 HD22 ASN A 13 -9.368 12.966 -5.966 1.00 1.14 H new ATOM 158 N ASP A 14 -11.777 10.142 -3.635 1.00 0.43 N ATOM 159 CA ASP A 14 -13.036 9.517 -4.036 1.00 0.51 C ATOM 160 C ASP A 14 -13.063 9.217 -5.532 1.00 0.43 C ATOM 161 O ASP A 14 -14.060 8.728 -6.063 1.00 0.48 O ATOM 162 CB ASP A 14 -14.210 10.427 -3.669 1.00 0.81 C ATOM 163 CG ASP A 14 -14.146 11.770 -4.367 1.00 1.53 C ATOM 164 OD1 ASP A 14 -13.313 12.613 -3.982 1.00 2.26 O1- ATOM 165 OD2 ASP A 14 -14.921 11.986 -5.322 1.00 1.86 O ATOM 0 H ASP A 14 -11.847 11.147 -3.476 1.00 0.43 H new ATOM 0 HA ASP A 14 -13.123 8.571 -3.502 1.00 0.51 H new ATOM 0 HB2 ASP A 14 -15.145 9.931 -3.929 1.00 0.81 H new ATOM 0 HB3 ASP A 14 -14.221 10.582 -2.590 1.00 0.81 H new ATOM 170 N ASN A 15 -11.965 9.509 -6.211 1.00 0.45 N ATOM 171 CA ASN A 15 -11.858 9.229 -7.635 1.00 0.48 C ATOM 172 C ASN A 15 -11.052 7.959 -7.854 1.00 0.41 C ATOM 173 O ASN A 15 -10.748 7.592 -8.990 1.00 0.47 O ATOM 174 CB ASN A 15 -11.207 10.400 -8.379 1.00 0.60 C ATOM 175 CG ASN A 15 -11.989 11.697 -8.256 1.00 0.93 C ATOM 176 OD1 ASN A 15 -13.307 11.605 -8.166 1.00 1.59 O flip ATOM 177 ND2 ASN A 15 -11.407 12.782 -8.250 1.00 1.58 N flip ATOM 0 H ASN A 15 -11.136 9.939 -5.800 1.00 0.45 H new ATOM 0 HA ASN A 15 -12.863 9.091 -8.033 1.00 0.48 H new ATOM 0 HB2 ASN A 15 -10.200 10.553 -7.992 1.00 0.60 H new ATOM 0 HB3 ASN A 15 -11.108 10.142 -9.433 1.00 0.60 H new ATOM 0 HD21 ASN A 15 -10.390 12.816 -8.321 1.00 1.58 H new ATOM 0 HD22 ASN A 15 -11.942 13.647 -8.174 1.00 1.58 H new ATOM 184 N MET A 16 -10.713 7.297 -6.744 1.00 0.36 N ATOM 185 CA MET A 16 -9.969 6.038 -6.763 1.00 0.39 C ATOM 186 C MET A 16 -8.591 6.219 -7.389 1.00 0.38 C ATOM 187 O MET A 16 -8.140 5.387 -8.174 1.00 0.54 O ATOM 188 CB MET A 16 -10.749 4.958 -7.524 1.00 0.50 C ATOM 189 CG MET A 16 -12.076 4.582 -6.887 1.00 0.58 C ATOM 190 SD MET A 16 -12.938 3.281 -7.793 1.00 1.03 S ATOM 191 CE MET A 16 -13.120 4.045 -9.404 1.00 1.92 C ATOM 0 H MET A 16 -10.948 7.621 -5.806 1.00 0.36 H new ATOM 0 HA MET A 16 -9.838 5.719 -5.729 1.00 0.39 H new ATOM 0 HB2 MET A 16 -10.933 5.307 -8.540 1.00 0.50 H new ATOM 0 HB3 MET A 16 -10.130 4.064 -7.601 1.00 0.50 H new ATOM 0 HG2 MET A 16 -11.902 4.252 -5.863 1.00 0.58 H new ATOM 0 HG3 MET A 16 -12.712 5.465 -6.834 1.00 0.58 H new ATOM 0 HE1 MET A 16 -14.091 3.782 -9.824 1.00 1.92 H new ATOM 0 HE2 MET A 16 -13.050 5.128 -9.303 1.00 1.92 H new ATOM 0 HE3 MET A 16 -12.330 3.691 -10.066 1.00 1.92 H new ATOM 201 N GLN A 17 -7.915 7.302 -7.034 1.00 0.28 N ATOM 202 CA GLN A 17 -6.627 7.607 -7.631 1.00 0.33 C ATOM 203 C GLN A 17 -5.605 8.012 -6.574 1.00 0.28 C ATOM 204 O GLN A 17 -5.847 8.915 -5.772 1.00 0.40 O ATOM 205 CB GLN A 17 -6.786 8.726 -8.662 1.00 0.44 C ATOM 206 CG GLN A 17 -5.514 9.035 -9.433 1.00 0.77 C ATOM 207 CD GLN A 17 -5.012 7.858 -10.254 1.00 1.21 C ATOM 208 OE1 GLN A 17 -5.924 7.028 -10.739 1.00 1.78 O flip ATOM 209 NE2 GLN A 17 -3.809 7.704 -10.459 1.00 1.86 N flip ATOM 0 H GLN A 17 -8.235 7.978 -6.341 1.00 0.28 H new ATOM 0 HA GLN A 17 -6.260 6.707 -8.123 1.00 0.33 H new ATOM 0 HB2 GLN A 17 -7.569 8.449 -9.368 1.00 0.44 H new ATOM 0 HB3 GLN A 17 -7.121 9.630 -8.154 1.00 0.44 H new ATOM 0 HG2 GLN A 17 -5.695 9.881 -10.096 1.00 0.77 H new ATOM 0 HG3 GLN A 17 -4.737 9.339 -8.732 1.00 0.77 H new ATOM 0 HE21 GLN A 17 -3.137 8.364 -10.069 1.00 1.86 H new ATOM 0 HE22 GLN A 17 -3.484 6.916 -11.019 1.00 1.86 H new ATOM 218 N PHE A 18 -4.466 7.330 -6.579 1.00 0.30 N ATOM 219 CA PHE A 18 -3.350 7.688 -5.710 1.00 0.27 C ATOM 220 C PHE A 18 -2.665 8.944 -6.233 1.00 0.33 C ATOM 221 O PHE A 18 -2.602 9.167 -7.441 1.00 0.44 O ATOM 222 CB PHE A 18 -2.320 6.553 -5.651 1.00 0.29 C ATOM 223 CG PHE A 18 -2.737 5.352 -4.848 1.00 0.25 C ATOM 224 CD1 PHE A 18 -3.180 5.500 -3.544 1.00 0.24 C ATOM 225 CD2 PHE A 18 -2.721 4.081 -5.406 1.00 0.27 C ATOM 226 CE1 PHE A 18 -3.592 4.407 -2.808 1.00 0.25 C ATOM 227 CE2 PHE A 18 -3.136 2.984 -4.675 1.00 0.26 C ATOM 228 CZ PHE A 18 -3.448 3.118 -3.354 1.00 0.28 C ATOM 0 H PHE A 18 -4.290 6.523 -7.177 1.00 0.30 H new ATOM 0 HA PHE A 18 -3.746 7.867 -4.710 1.00 0.27 H new ATOM 0 HB2 PHE A 18 -2.099 6.231 -6.669 1.00 0.29 H new ATOM 0 HB3 PHE A 18 -1.393 6.946 -5.233 1.00 0.29 H new ATOM 0 HD1 PHE A 18 -3.203 6.483 -3.097 1.00 0.24 H new ATOM 0 HD2 PHE A 18 -2.381 3.948 -6.422 1.00 0.27 H new ATOM 0 HE1 PHE A 18 -4.020 4.540 -1.825 1.00 0.25 H new ATOM 0 HE2 PHE A 18 -3.213 2.018 -5.151 1.00 0.26 H new ATOM 0 HZ PHE A 18 -3.583 2.244 -2.734 1.00 0.28 H new ATOM 238 N ASN A 19 -2.165 9.764 -5.314 1.00 0.35 N ATOM 239 CA ASN A 19 -1.389 10.953 -5.674 1.00 0.49 C ATOM 240 C ASN A 19 -0.157 10.585 -6.487 1.00 0.36 C ATOM 241 O ASN A 19 0.313 11.373 -7.307 1.00 0.45 O ATOM 242 CB ASN A 19 -0.944 11.712 -4.424 1.00 0.71 C ATOM 243 CG ASN A 19 -2.032 12.588 -3.841 1.00 1.33 C ATOM 244 OD1 ASN A 19 -3.221 12.319 -4.002 1.00 2.31 O ATOM 245 ND2 ASN A 19 -1.630 13.638 -3.141 1.00 1.42 N ATOM 0 H ASN A 19 -2.282 9.629 -4.310 1.00 0.35 H new ATOM 0 HA ASN A 19 -2.039 11.587 -6.276 1.00 0.49 H new ATOM 0 HB2 ASN A 19 -0.618 10.997 -3.669 1.00 0.71 H new ATOM 0 HB3 ASN A 19 -0.081 12.331 -4.670 1.00 0.71 H new ATOM 0 HD21 ASN A 19 -2.317 14.258 -2.712 1.00 1.42 H new ATOM 0 HD22 ASN A 19 -0.634 13.826 -3.031 1.00 1.42 H new ATOM 252 N THR A 20 0.364 9.392 -6.252 1.00 0.36 N ATOM 253 CA THR A 20 1.555 8.934 -6.934 1.00 0.33 C ATOM 254 C THR A 20 1.469 7.437 -7.206 1.00 0.24 C ATOM 255 O THR A 20 0.795 6.705 -6.480 1.00 0.32 O ATOM 256 CB THR A 20 2.826 9.239 -6.111 1.00 0.53 C ATOM 257 OG1 THR A 20 3.987 8.779 -6.813 1.00 1.12 O ATOM 258 CG2 THR A 20 2.768 8.581 -4.739 1.00 0.44 C ATOM 0 H THR A 20 -0.025 8.722 -5.589 1.00 0.36 H new ATOM 0 HA THR A 20 1.620 9.471 -7.880 1.00 0.33 H new ATOM 0 HB THR A 20 2.883 10.319 -5.973 1.00 0.53 H new ATOM 0 HG1 THR A 20 4.551 8.257 -6.205 1.00 1.12 H new ATOM 0 HG21 THR A 20 3.677 8.815 -4.185 1.00 0.44 H new ATOM 0 HG22 THR A 20 1.903 8.956 -4.192 1.00 0.44 H new ATOM 0 HG23 THR A 20 2.683 7.501 -4.857 1.00 0.44 H new ATOM 266 N LYS A 21 2.137 6.993 -8.260 1.00 0.23 N ATOM 267 CA LYS A 21 2.169 5.581 -8.604 1.00 0.31 C ATOM 268 C LYS A 21 3.595 5.056 -8.518 1.00 0.23 C ATOM 269 O LYS A 21 3.900 3.956 -8.975 1.00 0.28 O ATOM 270 CB LYS A 21 1.588 5.353 -10.000 1.00 0.50 C ATOM 271 CG LYS A 21 0.106 5.697 -10.095 1.00 0.91 C ATOM 272 CD LYS A 21 -0.447 5.457 -11.492 1.00 0.85 C ATOM 273 CE LYS A 21 -0.321 4.000 -11.911 1.00 1.30 C ATOM 274 NZ LYS A 21 -0.982 3.739 -13.216 1.00 2.18 N1+ ATOM 0 H LYS A 21 2.666 7.593 -8.893 1.00 0.23 H new ATOM 0 HA LYS A 21 1.554 5.032 -7.891 1.00 0.31 H new ATOM 0 HB2 LYS A 21 2.142 5.956 -10.720 1.00 0.50 H new ATOM 0 HB3 LYS A 21 1.731 4.310 -10.281 1.00 0.50 H new ATOM 0 HG2 LYS A 21 -0.452 5.097 -9.376 1.00 0.91 H new ATOM 0 HG3 LYS A 21 -0.042 6.742 -9.821 1.00 0.91 H new ATOM 0 HD2 LYS A 21 -1.495 5.754 -11.523 1.00 0.85 H new ATOM 0 HD3 LYS A 21 0.084 6.087 -12.206 1.00 0.85 H new ATOM 0 HE2 LYS A 21 0.733 3.732 -11.978 1.00 1.30 H new ATOM 0 HE3 LYS A 21 -0.764 3.363 -11.146 1.00 1.30 H new ATOM 0 HZ1 LYS A 21 -0.873 2.735 -13.466 1.00 2.18 H new ATOM 0 HZ2 LYS A 21 -1.993 3.971 -13.145 1.00 2.18 H new ATOM 0 HZ3 LYS A 21 -0.542 4.328 -13.952 1.00 2.18 H new ATOM 288 N ASP A 22 4.465 5.861 -7.930 1.00 0.20 N ATOM 289 CA ASP A 22 5.854 5.477 -7.704 1.00 0.22 C ATOM 290 C ASP A 22 6.343 6.035 -6.376 1.00 0.20 C ATOM 291 O ASP A 22 6.177 7.222 -6.093 1.00 0.24 O ATOM 292 CB ASP A 22 6.745 5.973 -8.849 1.00 0.34 C ATOM 293 CG ASP A 22 8.222 5.976 -8.496 1.00 1.26 C ATOM 294 OD1 ASP A 22 8.851 4.895 -8.486 1.00 1.86 O1- ATOM 295 OD2 ASP A 22 8.769 7.074 -8.251 1.00 2.06 O ATOM 0 H ASP A 22 4.232 6.796 -7.596 1.00 0.20 H new ATOM 0 HA ASP A 22 5.911 4.389 -7.671 1.00 0.22 H new ATOM 0 HB2 ASP A 22 6.588 5.342 -9.723 1.00 0.34 H new ATOM 0 HB3 ASP A 22 6.442 6.983 -9.126 1.00 0.34 H new ATOM 300 N ILE A 23 6.921 5.172 -5.558 1.00 0.19 N ATOM 301 CA ILE A 23 7.474 5.580 -4.276 1.00 0.21 C ATOM 302 C ILE A 23 8.934 5.171 -4.191 1.00 0.27 C ATOM 303 O ILE A 23 9.271 4.010 -4.408 1.00 0.32 O ATOM 304 CB ILE A 23 6.696 4.958 -3.093 1.00 0.21 C ATOM 305 CG1 ILE A 23 5.257 5.485 -3.063 1.00 0.22 C ATOM 306 CG2 ILE A 23 7.399 5.254 -1.771 1.00 0.26 C ATOM 307 CD1 ILE A 23 4.375 4.790 -2.046 1.00 0.23 C ATOM 0 H ILE A 23 7.020 4.177 -5.760 1.00 0.19 H new ATOM 0 HA ILE A 23 7.385 6.664 -4.207 1.00 0.21 H new ATOM 0 HB ILE A 23 6.667 3.877 -3.232 1.00 0.21 H new ATOM 0 HG12 ILE A 23 5.275 6.553 -2.846 1.00 0.22 H new ATOM 0 HG13 ILE A 23 4.816 5.369 -4.053 1.00 0.22 H new ATOM 0 HG21 ILE A 23 6.836 4.808 -0.951 1.00 0.26 H new ATOM 0 HG22 ILE A 23 8.404 4.834 -1.791 1.00 0.26 H new ATOM 0 HG23 ILE A 23 7.460 6.332 -1.625 1.00 0.26 H new ATOM 0 HD11 ILE A 23 3.372 5.216 -2.083 1.00 0.23 H new ATOM 0 HD12 ILE A 23 4.326 3.725 -2.274 1.00 0.23 H new ATOM 0 HD13 ILE A 23 4.792 4.928 -1.048 1.00 0.23 H new ATOM 319 N GLN A 24 9.793 6.124 -3.883 1.00 0.34 N ATOM 320 CA GLN A 24 11.216 5.852 -3.783 1.00 0.41 C ATOM 321 C GLN A 24 11.611 5.581 -2.342 1.00 0.35 C ATOM 322 O GLN A 24 11.636 6.487 -1.509 1.00 0.39 O ATOM 323 CB GLN A 24 12.041 7.013 -4.331 1.00 0.57 C ATOM 324 CG GLN A 24 11.943 7.187 -5.837 1.00 0.67 C ATOM 325 CD GLN A 24 12.864 8.275 -6.352 1.00 0.86 C ATOM 326 OE1 GLN A 24 13.131 9.272 -5.523 1.00 1.32 O flip ATOM 327 NE2 GLN A 24 13.339 8.217 -7.487 1.00 1.46 N flip ATOM 0 H GLN A 24 9.532 7.092 -3.698 1.00 0.34 H new ATOM 0 HA GLN A 24 11.422 4.966 -4.383 1.00 0.41 H new ATOM 0 HB2 GLN A 24 11.717 7.935 -3.848 1.00 0.57 H new ATOM 0 HB3 GLN A 24 13.086 6.862 -4.061 1.00 0.57 H new ATOM 0 HG2 GLN A 24 12.189 6.244 -6.326 1.00 0.67 H new ATOM 0 HG3 GLN A 24 10.915 7.427 -6.107 1.00 0.67 H new ATOM 0 HE21 GLN A 24 13.109 7.432 -8.096 1.00 1.46 H new ATOM 0 HE22 GLN A 24 13.962 8.954 -7.817 1.00 1.46 H new ATOM 336 N VAL A 25 11.918 4.332 -2.057 1.00 0.31 N ATOM 337 CA VAL A 25 12.366 3.942 -0.737 1.00 0.25 C ATOM 338 C VAL A 25 13.883 3.911 -0.700 1.00 0.26 C ATOM 339 O VAL A 25 14.518 3.166 -1.450 1.00 0.30 O ATOM 340 CB VAL A 25 11.811 2.563 -0.328 1.00 0.23 C ATOM 341 CG1 VAL A 25 12.406 2.117 1.000 1.00 0.22 C ATOM 342 CG2 VAL A 25 10.295 2.608 -0.240 1.00 0.23 C ATOM 0 H VAL A 25 11.865 3.565 -2.728 1.00 0.31 H new ATOM 0 HA VAL A 25 11.989 4.678 -0.027 1.00 0.25 H new ATOM 0 HB VAL A 25 12.094 1.839 -1.092 1.00 0.23 H new ATOM 0 HG11 VAL A 25 12.001 1.142 1.271 1.00 0.22 H new ATOM 0 HG12 VAL A 25 13.490 2.047 0.908 1.00 0.22 H new ATOM 0 HG13 VAL A 25 12.153 2.842 1.774 1.00 0.22 H new ATOM 0 HG21 VAL A 25 9.918 1.627 0.050 1.00 0.23 H new ATOM 0 HG22 VAL A 25 9.995 3.346 0.504 1.00 0.23 H new ATOM 0 HG23 VAL A 25 9.882 2.883 -1.211 1.00 0.23 H new ATOM 352 N SER A 26 14.456 4.737 0.152 1.00 0.27 N ATOM 353 CA SER A 26 15.895 4.812 0.272 1.00 0.29 C ATOM 354 C SER A 26 16.417 3.626 1.069 1.00 0.26 C ATOM 355 O SER A 26 16.046 3.423 2.226 1.00 0.25 O ATOM 356 CB SER A 26 16.312 6.125 0.937 1.00 0.36 C ATOM 357 OG SER A 26 17.715 6.311 0.864 1.00 1.16 O ATOM 0 H SER A 26 13.945 5.366 0.772 1.00 0.27 H new ATOM 0 HA SER A 26 16.328 4.781 -0.728 1.00 0.29 H new ATOM 0 HB2 SER A 26 15.806 6.959 0.451 1.00 0.36 H new ATOM 0 HB3 SER A 26 15.996 6.124 1.980 1.00 0.36 H new ATOM 0 HG SER A 26 17.912 7.101 0.318 1.00 1.16 H new ATOM 363 N LYS A 27 17.274 2.846 0.434 1.00 0.32 N ATOM 364 CA LYS A 27 17.892 1.695 1.072 1.00 0.36 C ATOM 365 C LYS A 27 18.930 2.150 2.094 1.00 0.42 C ATOM 366 O LYS A 27 19.435 1.357 2.884 1.00 0.54 O ATOM 367 CB LYS A 27 18.540 0.796 0.018 1.00 0.45 C ATOM 368 CG LYS A 27 19.697 1.453 -0.719 1.00 0.82 C ATOM 369 CD LYS A 27 20.190 0.595 -1.871 1.00 0.86 C ATOM 370 CE LYS A 27 20.650 -0.774 -1.395 1.00 0.98 C ATOM 371 NZ LYS A 27 21.196 -1.592 -2.506 1.00 0.97 N1+ ATOM 0 H LYS A 27 17.561 2.991 -0.534 1.00 0.32 H new ATOM 0 HA LYS A 27 17.122 1.125 1.592 1.00 0.36 H new ATOM 0 HB2 LYS A 27 18.898 -0.114 0.500 1.00 0.45 H new ATOM 0 HB3 LYS A 27 17.783 0.497 -0.706 1.00 0.45 H new ATOM 0 HG2 LYS A 27 19.382 2.425 -1.098 1.00 0.82 H new ATOM 0 HG3 LYS A 27 20.516 1.633 -0.023 1.00 0.82 H new ATOM 0 HD2 LYS A 27 19.392 0.476 -2.604 1.00 0.86 H new ATOM 0 HD3 LYS A 27 21.013 1.101 -2.375 1.00 0.86 H new ATOM 0 HE2 LYS A 27 21.412 -0.653 -0.625 1.00 0.98 H new ATOM 0 HE3 LYS A 27 19.812 -1.299 -0.936 1.00 0.98 H new ATOM 0 HZ1 LYS A 27 21.498 -2.517 -2.140 1.00 0.97 H new ATOM 0 HZ2 LYS A 27 20.462 -1.729 -3.230 1.00 0.97 H new ATOM 0 HZ3 LYS A 27 22.011 -1.104 -2.928 1.00 0.97 H new ATOM 385 N ALA A 28 19.239 3.441 2.065 1.00 0.44 N ATOM 386 CA ALA A 28 20.169 4.030 3.015 1.00 0.53 C ATOM 387 C ALA A 28 19.451 4.386 4.311 1.00 0.49 C ATOM 388 O ALA A 28 20.078 4.720 5.316 1.00 0.63 O ATOM 389 CB ALA A 28 20.824 5.260 2.410 1.00 0.65 C ATOM 0 H ALA A 28 18.855 4.101 1.389 1.00 0.44 H new ATOM 0 HA ALA A 28 20.946 3.301 3.245 1.00 0.53 H new ATOM 0 HB1 ALA A 28 21.519 5.693 3.130 1.00 0.65 H new ATOM 0 HB2 ALA A 28 21.366 4.977 1.508 1.00 0.65 H new ATOM 0 HB3 ALA A 28 20.058 5.993 2.158 1.00 0.65 H new ATOM 395 N CYS A 29 18.130 4.306 4.280 1.00 0.37 N ATOM 396 CA CYS A 29 17.319 4.580 5.455 1.00 0.40 C ATOM 397 C CYS A 29 17.143 3.306 6.271 1.00 0.40 C ATOM 398 O CYS A 29 17.121 2.204 5.724 1.00 0.40 O ATOM 399 CB CYS A 29 15.954 5.136 5.038 1.00 0.41 C ATOM 400 SG CYS A 29 16.028 6.768 4.231 1.00 0.49 S ATOM 0 H CYS A 29 17.595 4.052 3.449 1.00 0.37 H new ATOM 0 HA CYS A 29 17.825 5.326 6.069 1.00 0.40 H new ATOM 0 HB2 CYS A 29 15.478 4.429 4.359 1.00 0.41 H new ATOM 0 HB3 CYS A 29 15.318 5.208 5.921 1.00 0.41 H new ATOM 0 HG CYS A 29 16.933 7.498 4.811 1.00 0.49 H new ATOM 405 N LYS A 30 17.036 3.462 7.582 1.00 0.49 N ATOM 406 CA LYS A 30 16.899 2.324 8.479 1.00 0.59 C ATOM 407 C LYS A 30 15.451 1.858 8.529 1.00 0.51 C ATOM 408 O LYS A 30 15.171 0.688 8.784 1.00 0.52 O ATOM 409 CB LYS A 30 17.389 2.694 9.882 1.00 0.81 C ATOM 410 CG LYS A 30 18.808 3.249 9.903 1.00 1.42 C ATOM 411 CD LYS A 30 19.809 2.263 9.315 1.00 2.13 C ATOM 412 CE LYS A 30 19.989 1.039 10.199 1.00 2.73 C ATOM 413 NZ LYS A 30 20.628 1.381 11.498 1.00 3.49 N1+ ATOM 0 H LYS A 30 17.041 4.368 8.050 1.00 0.49 H new ATOM 0 HA LYS A 30 17.512 1.506 8.100 1.00 0.59 H new ATOM 0 HB2 LYS A 30 16.712 3.432 10.312 1.00 0.81 H new ATOM 0 HB3 LYS A 30 17.343 1.811 10.519 1.00 0.81 H new ATOM 0 HG2 LYS A 30 18.842 4.181 9.339 1.00 1.42 H new ATOM 0 HG3 LYS A 30 19.091 3.486 10.929 1.00 1.42 H new ATOM 0 HD2 LYS A 30 19.472 1.950 8.327 1.00 2.13 H new ATOM 0 HD3 LYS A 30 20.771 2.759 9.182 1.00 2.13 H new ATOM 0 HE2 LYS A 30 19.018 0.578 10.382 1.00 2.73 H new ATOM 0 HE3 LYS A 30 20.599 0.301 9.678 1.00 2.73 H new ATOM 0 HZ1 LYS A 30 20.948 0.510 11.967 1.00 3.49 H new ATOM 0 HZ2 LYS A 30 21.444 2.004 11.330 1.00 3.49 H new ATOM 0 HZ3 LYS A 30 19.939 1.869 12.106 1.00 3.49 H new ATOM 427 N GLU A 31 14.535 2.783 8.288 1.00 0.51 N ATOM 428 CA GLU A 31 13.120 2.466 8.206 1.00 0.52 C ATOM 429 C GLU A 31 12.414 3.516 7.359 1.00 0.42 C ATOM 430 O GLU A 31 12.851 4.667 7.300 1.00 0.44 O ATOM 431 CB GLU A 31 12.494 2.389 9.604 1.00 0.69 C ATOM 432 CG GLU A 31 12.531 3.697 10.376 1.00 1.15 C ATOM 433 CD GLU A 31 11.884 3.581 11.739 1.00 1.39 C ATOM 434 OE1 GLU A 31 12.502 2.986 12.649 1.00 1.71 O ATOM 435 OE2 GLU A 31 10.756 4.090 11.914 1.00 2.00 O1- ATOM 0 H GLU A 31 14.751 3.769 8.145 1.00 0.51 H new ATOM 0 HA GLU A 31 13.003 1.489 7.737 1.00 0.52 H new ATOM 0 HB2 GLU A 31 11.457 2.066 9.508 1.00 0.69 H new ATOM 0 HB3 GLU A 31 13.014 1.625 10.181 1.00 0.69 H new ATOM 0 HG2 GLU A 31 13.566 4.017 10.494 1.00 1.15 H new ATOM 0 HG3 GLU A 31 12.022 4.470 9.800 1.00 1.15 H new ATOM 442 N PHE A 32 11.353 3.118 6.679 1.00 0.36 N ATOM 443 CA PHE A 32 10.609 4.043 5.841 1.00 0.30 C ATOM 444 C PHE A 32 9.132 3.994 6.201 1.00 0.25 C ATOM 445 O PHE A 32 8.522 2.927 6.200 1.00 0.29 O ATOM 446 CB PHE A 32 10.814 3.696 4.367 1.00 0.32 C ATOM 447 CG PHE A 32 10.459 4.806 3.418 1.00 0.30 C ATOM 448 CD1 PHE A 32 11.399 5.755 3.047 1.00 0.30 C ATOM 449 CD2 PHE A 32 9.177 4.905 2.903 1.00 0.32 C ATOM 450 CE1 PHE A 32 11.066 6.778 2.181 1.00 0.32 C ATOM 451 CE2 PHE A 32 8.838 5.927 2.039 1.00 0.34 C ATOM 452 CZ PHE A 32 9.822 6.853 1.651 1.00 0.34 C ATOM 0 H PHE A 32 10.988 2.165 6.690 1.00 0.36 H new ATOM 0 HA PHE A 32 10.976 5.055 6.012 1.00 0.30 H new ATOM 0 HB2 PHE A 32 11.857 3.420 4.212 1.00 0.32 H new ATOM 0 HB3 PHE A 32 10.213 2.820 4.125 1.00 0.32 H new ATOM 0 HD1 PHE A 32 12.403 5.694 3.440 1.00 0.30 H new ATOM 0 HD2 PHE A 32 8.433 4.173 3.181 1.00 0.32 H new ATOM 0 HE1 PHE A 32 11.804 7.524 1.924 1.00 0.32 H new ATOM 0 HE2 PHE A 32 7.828 6.014 1.665 1.00 0.34 H new ATOM 0 HZ PHE A 32 9.586 7.623 0.931 1.00 0.34 H new ATOM 462 N THR A 33 8.569 5.145 6.517 1.00 0.21 N ATOM 463 CA THR A 33 7.184 5.224 6.939 1.00 0.19 C ATOM 464 C THR A 33 6.320 5.881 5.870 1.00 0.17 C ATOM 465 O THR A 33 6.657 6.936 5.339 1.00 0.26 O ATOM 466 CB THR A 33 7.065 6.001 8.267 1.00 0.24 C ATOM 467 OG1 THR A 33 7.857 5.354 9.274 1.00 0.32 O ATOM 468 CG2 THR A 33 5.618 6.085 8.733 1.00 0.26 C ATOM 0 H THR A 33 9.053 6.042 6.489 1.00 0.21 H new ATOM 0 HA THR A 33 6.825 4.206 7.092 1.00 0.19 H new ATOM 0 HB THR A 33 7.428 7.015 8.101 1.00 0.24 H new ATOM 0 HG1 THR A 33 7.782 5.849 10.117 1.00 0.32 H new ATOM 0 HG21 THR A 33 5.569 6.638 9.671 1.00 0.26 H new ATOM 0 HG22 THR A 33 5.022 6.597 7.978 1.00 0.26 H new ATOM 0 HG23 THR A 33 5.226 5.079 8.884 1.00 0.26 H new ATOM 476 N ILE A 34 5.211 5.241 5.552 1.00 0.16 N ATOM 477 CA ILE A 34 4.284 5.758 4.564 1.00 0.17 C ATOM 478 C ILE A 34 2.950 6.082 5.220 1.00 0.17 C ATOM 479 O ILE A 34 2.347 5.227 5.871 1.00 0.21 O ATOM 480 CB ILE A 34 4.061 4.752 3.413 1.00 0.18 C ATOM 481 CG1 ILE A 34 5.387 4.471 2.696 1.00 0.19 C ATOM 482 CG2 ILE A 34 3.016 5.283 2.436 1.00 0.23 C ATOM 483 CD1 ILE A 34 5.290 3.417 1.613 1.00 0.22 C ATOM 0 H ILE A 34 4.929 4.354 5.968 1.00 0.16 H new ATOM 0 HA ILE A 34 4.720 6.665 4.145 1.00 0.17 H new ATOM 0 HB ILE A 34 3.689 3.816 3.829 1.00 0.18 H new ATOM 0 HG12 ILE A 34 5.753 5.398 2.255 1.00 0.19 H new ATOM 0 HG13 ILE A 34 6.126 4.154 3.432 1.00 0.19 H new ATOM 0 HG21 ILE A 34 2.871 4.562 1.631 1.00 0.23 H new ATOM 0 HG22 ILE A 34 2.073 5.437 2.960 1.00 0.23 H new ATOM 0 HG23 ILE A 34 3.357 6.230 2.018 1.00 0.23 H new ATOM 0 HD11 ILE A 34 6.268 3.276 1.154 1.00 0.22 H new ATOM 0 HD12 ILE A 34 4.955 2.476 2.050 1.00 0.22 H new ATOM 0 HD13 ILE A 34 4.576 3.739 0.855 1.00 0.22 H new ATOM 495 N THR A 35 2.510 7.316 5.061 1.00 0.18 N ATOM 496 CA THR A 35 1.245 7.757 5.621 1.00 0.19 C ATOM 497 C THR A 35 0.205 7.929 4.519 1.00 0.17 C ATOM 498 O THR A 35 0.428 8.654 3.550 1.00 0.20 O ATOM 499 CB THR A 35 1.416 9.081 6.395 1.00 0.23 C ATOM 500 OG1 THR A 35 2.305 8.881 7.503 1.00 0.23 O ATOM 501 CG2 THR A 35 0.076 9.603 6.904 1.00 0.28 C ATOM 0 H THR A 35 3.014 8.037 4.544 1.00 0.18 H new ATOM 0 HA THR A 35 0.901 6.992 6.317 1.00 0.19 H new ATOM 0 HB THR A 35 1.833 9.821 5.712 1.00 0.23 H new ATOM 0 HG1 THR A 35 2.413 9.723 7.992 1.00 0.23 H new ATOM 0 HG21 THR A 35 0.231 10.537 7.445 1.00 0.28 H new ATOM 0 HG22 THR A 35 -0.590 9.779 6.060 1.00 0.28 H new ATOM 0 HG23 THR A 35 -0.371 8.867 7.572 1.00 0.28 H new ATOM 509 N LEU A 36 -0.921 7.248 4.662 1.00 0.16 N ATOM 510 CA LEU A 36 -1.988 7.314 3.677 1.00 0.14 C ATOM 511 C LEU A 36 -3.113 8.212 4.177 1.00 0.17 C ATOM 512 O LEU A 36 -3.603 8.041 5.293 1.00 0.20 O ATOM 513 CB LEU A 36 -2.534 5.911 3.393 1.00 0.16 C ATOM 514 CG LEU A 36 -3.537 5.817 2.236 1.00 0.14 C ATOM 515 CD1 LEU A 36 -2.847 6.069 0.905 1.00 0.17 C ATOM 516 CD2 LEU A 36 -4.225 4.460 2.230 1.00 0.18 C ATOM 0 H LEU A 36 -1.120 6.640 5.456 1.00 0.16 H new ATOM 0 HA LEU A 36 -1.583 7.732 2.755 1.00 0.14 H new ATOM 0 HB2 LEU A 36 -1.695 5.249 3.178 1.00 0.16 H new ATOM 0 HB3 LEU A 36 -3.012 5.536 4.298 1.00 0.16 H new ATOM 0 HG LEU A 36 -4.295 6.586 2.381 1.00 0.14 H new ATOM 0 HD11 LEU A 36 -3.576 5.998 0.098 1.00 0.17 H new ATOM 0 HD12 LEU A 36 -2.405 7.065 0.907 1.00 0.17 H new ATOM 0 HD13 LEU A 36 -2.065 5.325 0.754 1.00 0.17 H new ATOM 0 HD21 LEU A 36 -4.932 4.414 1.402 1.00 0.18 H new ATOM 0 HD22 LEU A 36 -3.479 3.674 2.114 1.00 0.18 H new ATOM 0 HD23 LEU A 36 -4.758 4.318 3.170 1.00 0.18 H new ATOM 528 N LYS A 37 -3.507 9.171 3.352 1.00 0.21 N ATOM 529 CA LYS A 37 -4.606 10.069 3.685 1.00 0.27 C ATOM 530 C LYS A 37 -5.758 9.864 2.711 1.00 0.20 C ATOM 531 O LYS A 37 -5.634 10.167 1.526 1.00 0.22 O ATOM 532 CB LYS A 37 -4.155 11.539 3.631 1.00 0.42 C ATOM 533 CG LYS A 37 -3.044 11.903 4.605 1.00 1.22 C ATOM 534 CD LYS A 37 -3.483 11.745 6.051 1.00 1.21 C ATOM 535 CE LYS A 37 -2.462 12.332 7.011 1.00 2.09 C ATOM 536 NZ LYS A 37 -2.408 13.817 6.930 1.00 2.62 N1+ ATOM 0 H LYS A 37 -3.080 9.349 2.443 1.00 0.21 H new ATOM 0 HA LYS A 37 -4.932 9.839 4.699 1.00 0.27 H new ATOM 0 HB2 LYS A 37 -3.819 11.764 2.619 1.00 0.42 H new ATOM 0 HB3 LYS A 37 -5.017 12.176 3.830 1.00 0.42 H new ATOM 0 HG2 LYS A 37 -2.176 11.271 4.418 1.00 1.22 H new ATOM 0 HG3 LYS A 37 -2.732 12.933 4.431 1.00 1.22 H new ATOM 0 HD2 LYS A 37 -4.445 12.237 6.196 1.00 1.21 H new ATOM 0 HD3 LYS A 37 -3.628 10.688 6.275 1.00 1.21 H new ATOM 0 HE2 LYS A 37 -2.709 12.034 8.030 1.00 2.09 H new ATOM 0 HE3 LYS A 37 -1.477 11.921 6.788 1.00 2.09 H new ATOM 0 HZ1 LYS A 37 -1.916 14.193 7.766 1.00 2.62 H new ATOM 0 HZ2 LYS A 37 -1.895 14.099 6.070 1.00 2.62 H new ATOM 0 HZ3 LYS A 37 -3.375 14.198 6.897 1.00 2.62 H new ATOM 550 N HIS A 38 -6.874 9.346 3.199 1.00 0.18 N ATOM 551 CA HIS A 38 -8.036 9.146 2.343 1.00 0.16 C ATOM 552 C HIS A 38 -8.989 10.322 2.468 1.00 0.23 C ATOM 553 O HIS A 38 -9.843 10.360 3.358 1.00 0.29 O ATOM 554 CB HIS A 38 -8.764 7.836 2.674 1.00 0.21 C ATOM 555 CG HIS A 38 -9.959 7.543 1.798 1.00 0.20 C ATOM 556 ND1 HIS A 38 -10.387 8.362 0.766 1.00 0.18 N ATOM 557 CD2 HIS A 38 -10.837 6.516 1.836 1.00 0.29 C ATOM 558 CE1 HIS A 38 -11.475 7.849 0.221 1.00 0.19 C ATOM 559 NE2 HIS A 38 -11.767 6.728 0.851 1.00 0.24 N ATOM 0 H HIS A 38 -7.001 9.059 4.170 1.00 0.18 H new ATOM 0 HA HIS A 38 -7.682 9.079 1.314 1.00 0.16 H new ATOM 0 HB2 HIS A 38 -8.057 7.011 2.589 1.00 0.21 H new ATOM 0 HB3 HIS A 38 -9.091 7.870 3.713 1.00 0.21 H new ATOM 0 HD2 HIS A 38 -10.811 5.680 2.519 1.00 0.29 H new ATOM 0 HE1 HIS A 38 -12.031 8.275 -0.601 1.00 0.19 H new ATOM 0 HE2 HIS A 38 -12.557 6.118 0.640 1.00 0.24 H new ATOM 568 N THR A 39 -8.839 11.270 1.565 1.00 0.30 N ATOM 569 CA THR A 39 -9.733 12.404 1.495 1.00 0.44 C ATOM 570 C THR A 39 -11.027 11.983 0.797 1.00 0.55 C ATOM 571 O THR A 39 -11.014 11.112 -0.081 1.00 1.42 O ATOM 572 CB THR A 39 -9.071 13.594 0.759 1.00 0.52 C ATOM 573 OG1 THR A 39 -9.920 14.746 0.796 1.00 1.60 O ATOM 574 CG2 THR A 39 -8.749 13.244 -0.688 1.00 1.46 C ATOM 0 H THR A 39 -8.098 11.275 0.864 1.00 0.30 H new ATOM 0 HA THR A 39 -9.962 12.737 2.507 1.00 0.44 H new ATOM 0 HB THR A 39 -8.138 13.817 1.276 1.00 0.52 H new ATOM 0 HG1 THR A 39 -9.485 15.488 0.328 1.00 1.60 H new ATOM 0 HG21 THR A 39 -8.285 14.102 -1.175 1.00 1.46 H new ATOM 0 HG22 THR A 39 -8.063 12.397 -0.714 1.00 1.46 H new ATOM 0 HG23 THR A 39 -9.668 12.982 -1.212 1.00 1.46 H new ATOM 582 N GLY A 40 -12.140 12.559 1.218 1.00 0.61 N ATOM 583 CA GLY A 40 -13.424 12.195 0.658 1.00 0.56 C ATOM 584 C GLY A 40 -14.449 11.937 1.744 1.00 0.66 C ATOM 585 O GLY A 40 -14.102 11.879 2.924 1.00 1.16 O ATOM 0 H GLY A 40 -12.178 13.277 1.942 1.00 0.61 H new ATOM 0 HA2 GLY A 40 -13.777 12.993 0.005 1.00 0.56 H new ATOM 0 HA3 GLY A 40 -13.314 11.303 0.041 1.00 0.56 H new ATOM 589 N THR A 41 -15.705 11.776 1.359 1.00 0.46 N ATOM 590 CA THR A 41 -16.777 11.572 2.322 1.00 0.53 C ATOM 591 C THR A 41 -17.474 10.228 2.121 1.00 0.46 C ATOM 592 O THR A 41 -18.602 10.026 2.571 1.00 0.75 O ATOM 593 CB THR A 41 -17.814 12.707 2.235 1.00 0.71 C ATOM 594 OG1 THR A 41 -18.133 12.972 0.862 1.00 1.41 O ATOM 595 CG2 THR A 41 -17.288 13.972 2.893 1.00 1.53 C ATOM 0 H THR A 41 -16.008 11.783 0.385 1.00 0.46 H new ATOM 0 HA THR A 41 -16.319 11.575 3.311 1.00 0.53 H new ATOM 0 HB THR A 41 -18.714 12.391 2.763 1.00 0.71 H new ATOM 0 HG1 THR A 41 -18.794 13.694 0.813 1.00 1.41 H new ATOM 0 HG21 THR A 41 -18.038 14.760 2.819 1.00 1.53 H new ATOM 0 HG22 THR A 41 -17.073 13.773 3.943 1.00 1.53 H new ATOM 0 HG23 THR A 41 -16.375 14.292 2.390 1.00 1.53 H new ATOM 603 N GLN A 42 -16.796 9.305 1.455 1.00 0.41 N ATOM 604 CA GLN A 42 -17.356 7.981 1.219 1.00 0.35 C ATOM 605 C GLN A 42 -16.837 6.989 2.250 1.00 0.29 C ATOM 606 O GLN A 42 -15.628 6.868 2.453 1.00 0.31 O ATOM 607 CB GLN A 42 -17.034 7.500 -0.198 1.00 0.39 C ATOM 608 CG GLN A 42 -17.811 8.241 -1.277 1.00 0.59 C ATOM 609 CD GLN A 42 -17.467 7.776 -2.677 1.00 1.37 C ATOM 610 OE1 GLN A 42 -16.548 8.294 -3.305 1.00 1.89 O ATOM 611 NE2 GLN A 42 -18.219 6.814 -3.185 1.00 2.08 N ATOM 0 H GLN A 42 -15.862 9.446 1.070 1.00 0.41 H new ATOM 0 HA GLN A 42 -18.439 8.047 1.319 1.00 0.35 H new ATOM 0 HB2 GLN A 42 -15.966 7.621 -0.381 1.00 0.39 H new ATOM 0 HB3 GLN A 42 -17.251 6.434 -0.271 1.00 0.39 H new ATOM 0 HG2 GLN A 42 -18.879 8.105 -1.107 1.00 0.59 H new ATOM 0 HG3 GLN A 42 -17.609 9.309 -1.195 1.00 0.59 H new ATOM 0 HE21 GLN A 42 -18.973 6.410 -2.630 1.00 2.08 H new ATOM 0 HE22 GLN A 42 -18.045 6.476 -4.132 1.00 2.08 H new ATOM 620 N PRO A 43 -17.752 6.273 2.922 1.00 0.32 N ATOM 621 CA PRO A 43 -17.394 5.314 3.969 1.00 0.35 C ATOM 622 C PRO A 43 -16.721 4.061 3.405 1.00 0.31 C ATOM 623 O PRO A 43 -16.774 3.827 2.194 1.00 0.29 O ATOM 624 CB PRO A 43 -18.741 4.975 4.614 1.00 0.47 C ATOM 625 CG PRO A 43 -19.745 5.208 3.540 1.00 0.49 C ATOM 626 CD PRO A 43 -19.211 6.346 2.710 1.00 0.40 C ATOM 0 HA PRO A 43 -16.668 5.723 4.672 1.00 0.35 H new ATOM 0 HB2 PRO A 43 -18.765 3.942 4.961 1.00 0.47 H new ATOM 0 HB3 PRO A 43 -18.935 5.607 5.481 1.00 0.47 H new ATOM 0 HG2 PRO A 43 -19.881 4.313 2.933 1.00 0.49 H new ATOM 0 HG3 PRO A 43 -20.718 5.457 3.963 1.00 0.49 H new ATOM 0 HD2 PRO A 43 -19.470 6.231 1.657 1.00 0.40 H new ATOM 0 HD3 PRO A 43 -19.616 7.304 3.035 1.00 0.40 H new ATOM 634 N LYS A 44 -16.092 3.267 4.266 1.00 0.33 N ATOM 635 CA LYS A 44 -15.264 2.142 3.817 1.00 0.34 C ATOM 636 C LYS A 44 -16.016 1.200 2.874 1.00 0.36 C ATOM 637 O LYS A 44 -15.471 0.780 1.851 1.00 0.44 O ATOM 638 CB LYS A 44 -14.694 1.359 5.012 1.00 0.43 C ATOM 639 CG LYS A 44 -15.742 0.760 5.940 1.00 0.49 C ATOM 640 CD LYS A 44 -15.118 -0.185 6.957 1.00 0.66 C ATOM 641 CE LYS A 44 -14.109 0.528 7.843 1.00 1.06 C ATOM 642 NZ LYS A 44 -13.469 -0.392 8.820 1.00 1.82 N1+ ATOM 0 H LYS A 44 -16.137 3.378 5.279 1.00 0.33 H new ATOM 0 HA LYS A 44 -14.437 2.574 3.254 1.00 0.34 H new ATOM 0 HB2 LYS A 44 -14.062 0.556 4.634 1.00 0.43 H new ATOM 0 HB3 LYS A 44 -14.053 2.023 5.591 1.00 0.43 H new ATOM 0 HG2 LYS A 44 -16.267 1.561 6.461 1.00 0.49 H new ATOM 0 HG3 LYS A 44 -16.485 0.222 5.351 1.00 0.49 H new ATOM 0 HD2 LYS A 44 -15.901 -0.622 7.576 1.00 0.66 H new ATOM 0 HD3 LYS A 44 -14.628 -1.008 6.436 1.00 0.66 H new ATOM 0 HE2 LYS A 44 -13.340 0.985 7.220 1.00 1.06 H new ATOM 0 HE3 LYS A 44 -14.606 1.336 8.380 1.00 1.06 H new ATOM 0 HZ1 LYS A 44 -12.789 0.138 9.402 1.00 1.82 H new ATOM 0 HZ2 LYS A 44 -14.198 -0.809 9.433 1.00 1.82 H new ATOM 0 HZ3 LYS A 44 -12.971 -1.149 8.309 1.00 1.82 H new ATOM 656 N ALA A 45 -17.268 0.901 3.195 1.00 0.40 N ATOM 657 CA ALA A 45 -18.059 -0.036 2.404 1.00 0.46 C ATOM 658 C ALA A 45 -18.387 0.524 1.023 1.00 0.48 C ATOM 659 O ALA A 45 -18.696 -0.227 0.094 1.00 0.58 O ATOM 660 CB ALA A 45 -19.336 -0.403 3.142 1.00 0.59 C ATOM 0 H ALA A 45 -17.759 1.294 3.998 1.00 0.40 H new ATOM 0 HA ALA A 45 -17.459 -0.934 2.261 1.00 0.46 H new ATOM 0 HB1 ALA A 45 -19.916 -1.103 2.540 1.00 0.59 H new ATOM 0 HB2 ALA A 45 -19.085 -0.867 4.096 1.00 0.59 H new ATOM 0 HB3 ALA A 45 -19.925 0.497 3.320 1.00 0.59 H new ATOM 666 N SER A 46 -18.317 1.840 0.886 1.00 0.49 N ATOM 667 CA SER A 46 -18.602 2.487 -0.383 1.00 0.63 C ATOM 668 C SER A 46 -17.315 2.696 -1.171 1.00 0.47 C ATOM 669 O SER A 46 -17.271 2.470 -2.381 1.00 0.61 O ATOM 670 CB SER A 46 -19.304 3.825 -0.148 1.00 0.83 C ATOM 671 OG SER A 46 -20.463 3.653 0.649 1.00 1.51 O ATOM 0 H SER A 46 -18.065 2.480 1.639 1.00 0.49 H new ATOM 0 HA SER A 46 -19.263 1.843 -0.963 1.00 0.63 H new ATOM 0 HB2 SER A 46 -18.620 4.518 0.342 1.00 0.83 H new ATOM 0 HB3 SER A 46 -19.578 4.270 -1.105 1.00 0.83 H new ATOM 0 HG SER A 46 -20.896 4.521 0.789 1.00 1.51 H new ATOM 677 N MET A 47 -16.266 3.122 -0.478 1.00 0.27 N ATOM 678 CA MET A 47 -14.969 3.326 -1.104 1.00 0.21 C ATOM 679 C MET A 47 -13.877 3.449 -0.049 1.00 0.17 C ATOM 680 O MET A 47 -13.499 4.554 0.358 1.00 0.19 O ATOM 681 CB MET A 47 -14.982 4.568 -1.998 1.00 0.29 C ATOM 682 CG MET A 47 -13.657 4.814 -2.711 1.00 0.42 C ATOM 683 SD MET A 47 -13.695 6.262 -3.778 1.00 1.13 S ATOM 684 CE MET A 47 -14.969 5.785 -4.941 1.00 0.81 C ATOM 0 H MET A 47 -16.290 3.333 0.520 1.00 0.27 H new ATOM 0 HA MET A 47 -14.757 2.457 -1.727 1.00 0.21 H new ATOM 0 HB2 MET A 47 -15.772 4.463 -2.741 1.00 0.29 H new ATOM 0 HB3 MET A 47 -15.228 5.440 -1.392 1.00 0.29 H new ATOM 0 HG2 MET A 47 -12.868 4.936 -1.969 1.00 0.42 H new ATOM 0 HG3 MET A 47 -13.402 3.937 -3.306 1.00 0.42 H new ATOM 0 HE1 MET A 47 -14.791 6.276 -5.898 1.00 0.81 H new ATOM 0 HE2 MET A 47 -14.949 4.704 -5.079 1.00 0.81 H new ATOM 0 HE3 MET A 47 -15.944 6.084 -4.556 1.00 0.81 H new ATOM 694 N GLY A 48 -13.399 2.307 0.411 1.00 0.14 N ATOM 695 CA GLY A 48 -12.286 2.286 1.330 1.00 0.12 C ATOM 696 C GLY A 48 -10.981 2.073 0.600 1.00 0.11 C ATOM 697 O GLY A 48 -10.965 1.534 -0.511 1.00 0.13 O ATOM 0 H GLY A 48 -13.765 1.388 0.162 1.00 0.14 H new ATOM 0 HA2 GLY A 48 -12.248 3.225 1.882 1.00 0.12 H new ATOM 0 HA3 GLY A 48 -12.430 1.492 2.062 1.00 0.12 H new ATOM 701 N HIS A 49 -9.883 2.503 1.204 1.00 0.11 N ATOM 702 CA HIS A 49 -8.576 2.361 0.571 1.00 0.11 C ATOM 703 C HIS A 49 -7.545 1.865 1.574 1.00 0.12 C ATOM 704 O HIS A 49 -7.698 2.055 2.785 1.00 0.15 O ATOM 705 CB HIS A 49 -8.077 3.692 -0.017 1.00 0.12 C ATOM 706 CG HIS A 49 -8.928 4.291 -1.101 1.00 0.12 C ATOM 707 ND1 HIS A 49 -9.251 3.604 -2.248 1.00 0.13 N ATOM 708 CD2 HIS A 49 -9.453 5.536 -1.176 1.00 0.13 C ATOM 709 CE1 HIS A 49 -9.952 4.445 -2.988 1.00 0.14 C ATOM 710 NE2 HIS A 49 -10.101 5.632 -2.380 1.00 0.14 N ATOM 0 H HIS A 49 -9.868 2.949 2.121 1.00 0.11 H new ATOM 0 HA HIS A 49 -8.697 1.638 -0.236 1.00 0.11 H new ATOM 0 HB2 HIS A 49 -7.992 4.416 0.793 1.00 0.12 H new ATOM 0 HB3 HIS A 49 -7.073 3.538 -0.413 1.00 0.12 H new ATOM 0 HD2 HIS A 49 -9.376 6.310 -0.427 1.00 0.13 H new ATOM 0 HE1 HIS A 49 -10.355 4.207 -3.961 1.00 0.14 H new ATOM 0 HE2 HIS A 49 -10.598 6.445 -2.742 1.00 0.14 H new ATOM 718 N ASN A 50 -6.509 1.222 1.060 1.00 0.12 N ATOM 719 CA ASN A 50 -5.331 0.887 1.847 1.00 0.19 C ATOM 720 C ASN A 50 -4.098 0.955 0.958 1.00 0.24 C ATOM 721 O ASN A 50 -4.210 1.090 -0.260 1.00 0.43 O ATOM 722 CB ASN A 50 -5.442 -0.506 2.505 1.00 0.29 C ATOM 723 CG ASN A 50 -5.605 -1.658 1.521 1.00 0.67 C ATOM 724 OD1 ASN A 50 -5.198 -1.586 0.365 1.00 1.48 O ATOM 725 ND2 ASN A 50 -6.179 -2.753 1.990 1.00 0.69 N ATOM 0 H ASN A 50 -6.460 0.918 0.088 1.00 0.12 H new ATOM 0 HA ASN A 50 -5.249 1.613 2.656 1.00 0.19 H new ATOM 0 HB2 ASN A 50 -4.550 -0.682 3.106 1.00 0.29 H new ATOM 0 HB3 ASN A 50 -6.292 -0.505 3.188 1.00 0.29 H new ATOM 0 HD21 ASN A 50 -6.293 -3.567 1.387 1.00 0.69 H new ATOM 0 HD22 ASN A 50 -6.507 -2.783 2.955 1.00 0.69 H new ATOM 732 N LEU A 51 -2.928 0.897 1.562 1.00 0.17 N ATOM 733 CA LEU A 51 -1.700 0.822 0.800 1.00 0.17 C ATOM 734 C LEU A 51 -0.924 -0.409 1.233 1.00 0.17 C ATOM 735 O LEU A 51 -0.426 -0.488 2.358 1.00 0.20 O ATOM 736 CB LEU A 51 -0.867 2.102 0.968 1.00 0.18 C ATOM 737 CG LEU A 51 0.354 2.222 0.045 1.00 0.20 C ATOM 738 CD1 LEU A 51 0.600 3.678 -0.324 1.00 0.20 C ATOM 739 CD2 LEU A 51 1.593 1.641 0.711 1.00 0.22 C ATOM 0 H LEU A 51 -2.803 0.900 2.574 1.00 0.17 H new ATOM 0 HA LEU A 51 -1.936 0.737 -0.261 1.00 0.17 H new ATOM 0 HB2 LEU A 51 -1.515 2.961 0.798 1.00 0.18 H new ATOM 0 HB3 LEU A 51 -0.526 2.160 2.002 1.00 0.18 H new ATOM 0 HG LEU A 51 0.148 1.656 -0.863 1.00 0.20 H new ATOM 0 HD11 LEU A 51 1.469 3.746 -0.979 1.00 0.20 H new ATOM 0 HD12 LEU A 51 -0.274 4.075 -0.839 1.00 0.20 H new ATOM 0 HD13 LEU A 51 0.782 4.257 0.581 1.00 0.20 H new ATOM 0 HD21 LEU A 51 2.446 1.737 0.039 1.00 0.22 H new ATOM 0 HD22 LEU A 51 1.797 2.182 1.635 1.00 0.22 H new ATOM 0 HD23 LEU A 51 1.425 0.588 0.936 1.00 0.22 H new ATOM 751 N VAL A 52 -0.869 -1.383 0.346 1.00 0.17 N ATOM 752 CA VAL A 52 -0.203 -2.638 0.623 1.00 0.20 C ATOM 753 C VAL A 52 1.009 -2.810 -0.276 1.00 0.22 C ATOM 754 O VAL A 52 0.921 -2.626 -1.490 1.00 0.30 O ATOM 755 CB VAL A 52 -1.164 -3.828 0.414 1.00 0.25 C ATOM 756 CG1 VAL A 52 -0.470 -5.152 0.688 1.00 1.25 C ATOM 757 CG2 VAL A 52 -2.401 -3.675 1.289 1.00 1.46 C ATOM 0 H VAL A 52 -1.284 -1.326 -0.584 1.00 0.17 H new ATOM 0 HA VAL A 52 0.119 -2.619 1.664 1.00 0.20 H new ATOM 0 HB VAL A 52 -1.477 -3.828 -0.630 1.00 0.25 H new ATOM 0 HG11 VAL A 52 -1.173 -5.970 0.532 1.00 1.25 H new ATOM 0 HG12 VAL A 52 0.376 -5.266 0.010 1.00 1.25 H new ATOM 0 HG13 VAL A 52 -0.115 -5.170 1.718 1.00 1.25 H new ATOM 0 HG21 VAL A 52 -3.067 -4.523 1.129 1.00 1.46 H new ATOM 0 HG22 VAL A 52 -2.103 -3.641 2.337 1.00 1.46 H new ATOM 0 HG23 VAL A 52 -2.919 -2.752 1.028 1.00 1.46 H new ATOM 767 N ILE A 53 2.137 -3.150 0.326 1.00 0.21 N ATOM 768 CA ILE A 53 3.356 -3.405 -0.422 1.00 0.23 C ATOM 769 C ILE A 53 3.722 -4.875 -0.324 1.00 0.19 C ATOM 770 O ILE A 53 3.955 -5.400 0.772 1.00 0.20 O ATOM 771 CB ILE A 53 4.530 -2.535 0.075 1.00 0.31 C ATOM 772 CG1 ILE A 53 4.195 -1.052 -0.114 1.00 0.45 C ATOM 773 CG2 ILE A 53 5.815 -2.895 -0.664 1.00 0.30 C ATOM 774 CD1 ILE A 53 5.304 -0.111 0.299 1.00 0.51 C ATOM 0 H ILE A 53 2.233 -3.256 1.336 1.00 0.21 H new ATOM 0 HA ILE A 53 3.168 -3.140 -1.463 1.00 0.23 H new ATOM 0 HB ILE A 53 4.686 -2.727 1.136 1.00 0.31 H new ATOM 0 HG12 ILE A 53 3.955 -0.876 -1.163 1.00 0.45 H new ATOM 0 HG13 ILE A 53 3.300 -0.816 0.462 1.00 0.45 H new ATOM 0 HG21 ILE A 53 6.631 -2.271 -0.300 1.00 0.30 H new ATOM 0 HG22 ILE A 53 6.054 -3.944 -0.489 1.00 0.30 H new ATOM 0 HG23 ILE A 53 5.679 -2.728 -1.732 1.00 0.30 H new ATOM 0 HD11 ILE A 53 4.988 0.919 0.134 1.00 0.51 H new ATOM 0 HD12 ILE A 53 5.530 -0.256 1.355 1.00 0.51 H new ATOM 0 HD13 ILE A 53 6.195 -0.316 -0.294 1.00 0.51 H new ATOM 786 N ALA A 54 3.753 -5.537 -1.466 1.00 0.22 N ATOM 787 CA ALA A 54 4.004 -6.963 -1.512 1.00 0.27 C ATOM 788 C ALA A 54 4.855 -7.329 -2.717 1.00 0.31 C ATOM 789 O ALA A 54 5.032 -6.526 -3.638 1.00 0.30 O ATOM 790 CB ALA A 54 2.686 -7.722 -1.541 1.00 0.32 C ATOM 0 H ALA A 54 3.606 -5.105 -2.378 1.00 0.22 H new ATOM 0 HA ALA A 54 4.556 -7.244 -0.615 1.00 0.27 H new ATOM 0 HB1 ALA A 54 2.884 -8.793 -1.576 1.00 0.32 H new ATOM 0 HB2 ALA A 54 2.111 -7.488 -0.645 1.00 0.32 H new ATOM 0 HB3 ALA A 54 2.117 -7.429 -2.423 1.00 0.32 H new ATOM 796 N LYS A 55 5.394 -8.540 -2.688 1.00 0.43 N ATOM 797 CA LYS A 55 6.221 -9.053 -3.768 1.00 0.52 C ATOM 798 C LYS A 55 5.399 -9.150 -5.050 1.00 0.53 C ATOM 799 O LYS A 55 4.320 -9.734 -5.057 1.00 0.64 O ATOM 800 CB LYS A 55 6.764 -10.430 -3.370 1.00 0.69 C ATOM 801 CG LYS A 55 7.722 -11.045 -4.374 1.00 1.04 C ATOM 802 CD LYS A 55 8.178 -12.420 -3.912 1.00 1.03 C ATOM 803 CE LYS A 55 9.044 -13.108 -4.954 1.00 1.01 C ATOM 804 NZ LYS A 55 9.346 -14.519 -4.589 1.00 1.46 N1+ ATOM 0 H LYS A 55 5.269 -9.193 -1.915 1.00 0.43 H new ATOM 0 HA LYS A 55 7.057 -8.377 -3.948 1.00 0.52 H new ATOM 0 HB2 LYS A 55 7.272 -10.342 -2.410 1.00 0.69 H new ATOM 0 HB3 LYS A 55 5.924 -11.109 -3.225 1.00 0.69 H new ATOM 0 HG2 LYS A 55 7.235 -11.126 -5.346 1.00 1.04 H new ATOM 0 HG3 LYS A 55 8.587 -10.395 -4.504 1.00 1.04 H new ATOM 0 HD2 LYS A 55 8.737 -12.324 -2.981 1.00 1.03 H new ATOM 0 HD3 LYS A 55 7.307 -13.039 -3.698 1.00 1.03 H new ATOM 0 HE2 LYS A 55 8.537 -13.084 -5.919 1.00 1.01 H new ATOM 0 HE3 LYS A 55 9.977 -12.557 -5.070 1.00 1.01 H new ATOM 0 HZ1 LYS A 55 9.939 -14.949 -5.327 1.00 1.46 H new ATOM 0 HZ2 LYS A 55 9.853 -14.542 -3.681 1.00 1.46 H new ATOM 0 HZ3 LYS A 55 8.458 -15.053 -4.503 1.00 1.46 H new ATOM 818 N ALA A 56 5.926 -8.578 -6.131 1.00 0.49 N ATOM 819 CA ALA A 56 5.196 -8.462 -7.393 1.00 0.52 C ATOM 820 C ALA A 56 4.790 -9.819 -7.958 1.00 0.61 C ATOM 821 O ALA A 56 3.802 -9.922 -8.683 1.00 0.77 O ATOM 822 CB ALA A 56 6.032 -7.708 -8.412 1.00 0.53 C ATOM 0 H ALA A 56 6.866 -8.184 -6.158 1.00 0.49 H new ATOM 0 HA ALA A 56 4.280 -7.909 -7.184 1.00 0.52 H new ATOM 0 HB1 ALA A 56 5.479 -7.627 -9.348 1.00 0.53 H new ATOM 0 HB2 ALA A 56 6.253 -6.710 -8.034 1.00 0.53 H new ATOM 0 HB3 ALA A 56 6.964 -8.245 -8.586 1.00 0.53 H new ATOM 828 N GLU A 57 5.547 -10.851 -7.620 1.00 0.65 N ATOM 829 CA GLU A 57 5.272 -12.199 -8.111 1.00 0.79 C ATOM 830 C GLU A 57 4.167 -12.866 -7.299 1.00 0.71 C ATOM 831 O GLU A 57 3.646 -13.914 -7.686 1.00 0.77 O ATOM 832 CB GLU A 57 6.536 -13.053 -8.052 1.00 1.01 C ATOM 833 CG GLU A 57 7.663 -12.542 -8.931 1.00 1.69 C ATOM 834 CD GLU A 57 8.915 -13.377 -8.809 1.00 2.26 C ATOM 835 OE1 GLU A 57 8.954 -14.484 -9.385 1.00 2.58 O1- ATOM 836 OE2 GLU A 57 9.867 -12.937 -8.135 1.00 2.89 O ATOM 0 H GLU A 57 6.359 -10.784 -7.006 1.00 0.65 H new ATOM 0 HA GLU A 57 4.939 -12.115 -9.146 1.00 0.79 H new ATOM 0 HB2 GLU A 57 6.885 -13.098 -7.020 1.00 1.01 H new ATOM 0 HB3 GLU A 57 6.289 -14.072 -8.350 1.00 1.01 H new ATOM 0 HG2 GLU A 57 7.334 -12.535 -9.970 1.00 1.69 H new ATOM 0 HG3 GLU A 57 7.890 -11.511 -8.662 1.00 1.69 H new ATOM 843 N ASP A 58 3.823 -12.262 -6.174 1.00 0.66 N ATOM 844 CA ASP A 58 2.787 -12.796 -5.299 1.00 0.71 C ATOM 845 C ASP A 58 1.692 -11.764 -5.083 1.00 0.65 C ATOM 846 O ASP A 58 0.798 -11.954 -4.256 1.00 0.65 O ATOM 847 CB ASP A 58 3.380 -13.201 -3.946 1.00 0.88 C ATOM 848 CG ASP A 58 4.300 -14.402 -4.034 1.00 1.36 C ATOM 849 OD1 ASP A 58 3.801 -15.545 -3.972 1.00 1.46 O ATOM 850 OD2 ASP A 58 5.525 -14.209 -4.176 1.00 2.15 O1- ATOM 0 H ASP A 58 4.248 -11.396 -5.842 1.00 0.66 H new ATOM 0 HA ASP A 58 2.361 -13.677 -5.779 1.00 0.71 H new ATOM 0 HB2 ASP A 58 3.932 -12.358 -3.531 1.00 0.88 H new ATOM 0 HB3 ASP A 58 2.569 -13.423 -3.253 1.00 0.88 H new ATOM 855 N MET A 59 1.762 -10.677 -5.844 1.00 0.64 N ATOM 856 CA MET A 59 0.860 -9.546 -5.660 1.00 0.64 C ATOM 857 C MET A 59 -0.559 -9.930 -6.046 1.00 0.60 C ATOM 858 O MET A 59 -1.525 -9.523 -5.400 1.00 0.57 O ATOM 859 CB MET A 59 1.326 -8.349 -6.495 1.00 0.78 C ATOM 860 CG MET A 59 0.735 -7.027 -6.040 1.00 0.58 C ATOM 861 SD MET A 59 1.297 -6.562 -4.392 1.00 0.65 S ATOM 862 CE MET A 59 0.417 -5.025 -4.140 1.00 0.35 C ATOM 0 H MET A 59 2.438 -10.555 -6.598 1.00 0.64 H new ATOM 0 HA MET A 59 0.872 -9.265 -4.607 1.00 0.64 H new ATOM 0 HB2 MET A 59 2.413 -8.286 -6.451 1.00 0.78 H new ATOM 0 HB3 MET A 59 1.059 -8.518 -7.538 1.00 0.78 H new ATOM 0 HG2 MET A 59 1.008 -6.246 -6.749 1.00 0.58 H new ATOM 0 HG3 MET A 59 -0.353 -7.096 -6.045 1.00 0.58 H new ATOM 0 HE1 MET A 59 0.784 -4.540 -3.236 1.00 0.35 H new ATOM 0 HE2 MET A 59 0.579 -4.369 -4.995 1.00 0.35 H new ATOM 0 HE3 MET A 59 -0.649 -5.229 -4.035 1.00 0.35 H new ATOM 872 N ASP A 60 -0.671 -10.736 -7.094 1.00 0.65 N ATOM 873 CA ASP A 60 -1.963 -11.205 -7.578 1.00 0.72 C ATOM 874 C ASP A 60 -2.680 -11.997 -6.492 1.00 0.67 C ATOM 875 O ASP A 60 -3.891 -11.864 -6.304 1.00 0.70 O ATOM 876 CB ASP A 60 -1.771 -12.071 -8.823 1.00 0.87 C ATOM 877 CG ASP A 60 -3.079 -12.549 -9.420 1.00 1.41 C ATOM 878 OD1 ASP A 60 -3.651 -11.833 -10.270 1.00 1.42 O1- ATOM 879 OD2 ASP A 60 -3.550 -13.635 -9.028 1.00 2.27 O ATOM 0 H ASP A 60 0.126 -11.081 -7.629 1.00 0.65 H new ATOM 0 HA ASP A 60 -2.575 -10.341 -7.838 1.00 0.72 H new ATOM 0 HB2 ASP A 60 -1.222 -11.502 -9.573 1.00 0.87 H new ATOM 0 HB3 ASP A 60 -1.158 -12.935 -8.567 1.00 0.87 H new ATOM 884 N GLY A 61 -1.912 -12.797 -5.757 1.00 0.65 N ATOM 885 CA GLY A 61 -2.471 -13.597 -4.686 1.00 0.66 C ATOM 886 C GLY A 61 -2.955 -12.750 -3.529 1.00 0.59 C ATOM 887 O GLY A 61 -3.842 -13.152 -2.782 1.00 0.63 O ATOM 0 H GLY A 61 -0.906 -12.904 -5.887 1.00 0.65 H new ATOM 0 HA2 GLY A 61 -3.301 -14.189 -5.072 1.00 0.66 H new ATOM 0 HA3 GLY A 61 -1.718 -14.299 -4.329 1.00 0.66 H new ATOM 891 N VAL A 62 -2.372 -11.569 -3.387 1.00 0.52 N ATOM 892 CA VAL A 62 -2.759 -10.656 -2.326 1.00 0.48 C ATOM 893 C VAL A 62 -4.133 -10.052 -2.612 1.00 0.45 C ATOM 894 O VAL A 62 -4.931 -9.842 -1.700 1.00 0.46 O ATOM 895 CB VAL A 62 -1.713 -9.531 -2.147 1.00 0.48 C ATOM 896 CG1 VAL A 62 -2.142 -8.552 -1.063 1.00 0.46 C ATOM 897 CG2 VAL A 62 -0.349 -10.118 -1.811 1.00 0.55 C ATOM 0 H VAL A 62 -1.629 -11.222 -3.994 1.00 0.52 H new ATOM 0 HA VAL A 62 -2.809 -11.227 -1.399 1.00 0.48 H new ATOM 0 HB VAL A 62 -1.641 -8.989 -3.090 1.00 0.48 H new ATOM 0 HG11 VAL A 62 -1.388 -7.772 -0.958 1.00 0.46 H new ATOM 0 HG12 VAL A 62 -3.096 -8.101 -1.337 1.00 0.46 H new ATOM 0 HG13 VAL A 62 -2.250 -9.082 -0.116 1.00 0.46 H new ATOM 0 HG21 VAL A 62 0.374 -9.312 -1.689 1.00 0.55 H new ATOM 0 HG22 VAL A 62 -0.417 -10.688 -0.885 1.00 0.55 H new ATOM 0 HG23 VAL A 62 -0.027 -10.775 -2.619 1.00 0.55 H new ATOM 907 N PHE A 63 -4.416 -9.802 -3.886 1.00 0.45 N ATOM 908 CA PHE A 63 -5.694 -9.213 -4.279 1.00 0.45 C ATOM 909 C PHE A 63 -6.824 -10.234 -4.190 1.00 0.49 C ATOM 910 O PHE A 63 -7.863 -9.967 -3.584 1.00 0.53 O ATOM 911 CB PHE A 63 -5.628 -8.643 -5.701 1.00 0.47 C ATOM 912 CG PHE A 63 -4.644 -7.519 -5.858 1.00 0.39 C ATOM 913 CD1 PHE A 63 -4.774 -6.360 -5.112 1.00 0.31 C ATOM 914 CD2 PHE A 63 -3.596 -7.619 -6.759 1.00 0.48 C ATOM 915 CE1 PHE A 63 -3.876 -5.322 -5.260 1.00 0.30 C ATOM 916 CE2 PHE A 63 -2.696 -6.586 -6.911 1.00 0.46 C ATOM 917 CZ PHE A 63 -2.835 -5.436 -6.161 1.00 0.35 C ATOM 0 H PHE A 63 -3.782 -9.996 -4.661 1.00 0.45 H new ATOM 0 HA PHE A 63 -5.899 -8.400 -3.583 1.00 0.45 H new ATOM 0 HB2 PHE A 63 -5.364 -9.444 -6.392 1.00 0.47 H new ATOM 0 HB3 PHE A 63 -6.618 -8.289 -5.987 1.00 0.47 H new ATOM 0 HD1 PHE A 63 -5.587 -6.267 -4.407 1.00 0.31 H new ATOM 0 HD2 PHE A 63 -3.483 -8.517 -7.349 1.00 0.48 H new ATOM 0 HE1 PHE A 63 -3.987 -4.423 -4.673 1.00 0.30 H new ATOM 0 HE2 PHE A 63 -1.883 -6.677 -7.616 1.00 0.46 H new ATOM 0 HZ PHE A 63 -2.131 -4.626 -6.278 1.00 0.35 H new ATOM 927 N LYS A 64 -6.614 -11.406 -4.783 1.00 0.51 N ATOM 928 CA LYS A 64 -7.650 -12.438 -4.835 1.00 0.57 C ATOM 929 C LYS A 64 -8.009 -12.947 -3.442 1.00 0.57 C ATOM 930 O LYS A 64 -9.186 -13.052 -3.096 1.00 0.61 O ATOM 931 CB LYS A 64 -7.211 -13.600 -5.733 1.00 0.67 C ATOM 932 CG LYS A 64 -5.832 -14.150 -5.409 1.00 1.35 C ATOM 933 CD LYS A 64 -5.433 -15.266 -6.361 1.00 1.76 C ATOM 934 CE LYS A 64 -6.198 -16.549 -6.081 1.00 2.16 C ATOM 935 NZ LYS A 64 -5.788 -17.175 -4.795 1.00 3.03 N1+ ATOM 0 H LYS A 64 -5.737 -11.666 -5.234 1.00 0.51 H new ATOM 0 HA LYS A 64 -8.544 -11.983 -5.262 1.00 0.57 H new ATOM 0 HB2 LYS A 64 -7.940 -14.406 -5.648 1.00 0.67 H new ATOM 0 HB3 LYS A 64 -7.223 -13.267 -6.771 1.00 0.67 H new ATOM 0 HG2 LYS A 64 -5.098 -13.346 -5.463 1.00 1.35 H new ATOM 0 HG3 LYS A 64 -5.821 -14.524 -4.385 1.00 1.35 H new ATOM 0 HD2 LYS A 64 -5.617 -14.950 -7.388 1.00 1.76 H new ATOM 0 HD3 LYS A 64 -4.363 -15.454 -6.272 1.00 1.76 H new ATOM 0 HE2 LYS A 64 -7.267 -16.335 -6.055 1.00 2.16 H new ATOM 0 HE3 LYS A 64 -6.033 -17.254 -6.896 1.00 2.16 H new ATOM 0 HZ1 LYS A 64 -6.346 -18.038 -4.635 1.00 3.03 H new ATOM 0 HZ2 LYS A 64 -4.778 -17.419 -4.834 1.00 3.03 H new ATOM 0 HZ3 LYS A 64 -5.953 -16.507 -4.015 1.00 3.03 H new ATOM 949 N ASP A 65 -6.999 -13.248 -2.638 1.00 0.58 N ATOM 950 CA ASP A 65 -7.231 -13.741 -1.287 1.00 0.62 C ATOM 951 C ASP A 65 -7.574 -12.589 -0.354 1.00 0.54 C ATOM 952 O ASP A 65 -8.074 -12.798 0.751 1.00 0.59 O ATOM 953 CB ASP A 65 -6.010 -14.506 -0.767 1.00 0.74 C ATOM 954 CG ASP A 65 -5.789 -15.818 -1.497 1.00 1.35 C ATOM 955 OD1 ASP A 65 -5.195 -15.801 -2.594 1.00 2.28 O1- ATOM 956 OD2 ASP A 65 -6.225 -16.872 -0.987 1.00 1.26 O ATOM 0 H ASP A 65 -6.016 -13.160 -2.895 1.00 0.58 H new ATOM 0 HA ASP A 65 -8.075 -14.430 -1.316 1.00 0.62 H new ATOM 0 HB2 ASP A 65 -5.123 -13.882 -0.873 1.00 0.74 H new ATOM 0 HB3 ASP A 65 -6.136 -14.703 0.298 1.00 0.74 H new ATOM 961 N GLY A 66 -7.310 -11.371 -0.814 1.00 0.50 N ATOM 962 CA GLY A 66 -7.630 -10.187 -0.039 1.00 0.47 C ATOM 963 C GLY A 66 -9.124 -9.972 0.074 1.00 0.43 C ATOM 964 O GLY A 66 -9.613 -9.449 1.076 1.00 0.40 O ATOM 0 H GLY A 66 -6.876 -11.182 -1.718 1.00 0.50 H new ATOM 0 HA2 GLY A 66 -7.200 -10.279 0.958 1.00 0.47 H new ATOM 0 HA3 GLY A 66 -7.172 -9.314 -0.504 1.00 0.47 H new ATOM 968 N VAL A 67 -9.854 -10.397 -0.954 1.00 0.49 N ATOM 969 CA VAL A 67 -11.306 -10.275 -0.974 1.00 0.52 C ATOM 970 C VAL A 67 -11.924 -11.095 0.153 1.00 0.52 C ATOM 971 O VAL A 67 -12.896 -10.677 0.785 1.00 0.59 O ATOM 972 CB VAL A 67 -11.891 -10.740 -2.327 1.00 0.66 C ATOM 973 CG1 VAL A 67 -13.403 -10.565 -2.356 1.00 1.04 C ATOM 974 CG2 VAL A 67 -11.246 -9.988 -3.480 1.00 0.92 C ATOM 0 H VAL A 67 -9.459 -10.831 -1.788 1.00 0.49 H new ATOM 0 HA VAL A 67 -11.549 -9.222 -0.834 1.00 0.52 H new ATOM 0 HB VAL A 67 -11.669 -11.801 -2.441 1.00 0.66 H new ATOM 0 HG11 VAL A 67 -13.790 -10.899 -3.319 1.00 1.04 H new ATOM 0 HG12 VAL A 67 -13.853 -11.157 -1.559 1.00 1.04 H new ATOM 0 HG13 VAL A 67 -13.650 -9.513 -2.211 1.00 1.04 H new ATOM 0 HG21 VAL A 67 -11.673 -10.331 -4.422 1.00 0.92 H new ATOM 0 HG22 VAL A 67 -11.430 -8.920 -3.366 1.00 0.92 H new ATOM 0 HG23 VAL A 67 -10.172 -10.173 -3.479 1.00 0.92 H new ATOM 984 N GLY A 68 -11.329 -12.249 0.423 1.00 0.50 N ATOM 985 CA GLY A 68 -11.829 -13.118 1.469 1.00 0.53 C ATOM 986 C GLY A 68 -11.364 -12.688 2.848 1.00 0.43 C ATOM 987 O GLY A 68 -11.637 -13.359 3.840 1.00 0.51 O ATOM 0 H GLY A 68 -10.506 -12.600 -0.066 1.00 0.50 H new ATOM 0 HA2 GLY A 68 -12.919 -13.126 1.442 1.00 0.53 H new ATOM 0 HA3 GLY A 68 -11.498 -14.139 1.279 1.00 0.53 H new ATOM 991 N ALA A 69 -10.665 -11.564 2.906 1.00 0.38 N ATOM 992 CA ALA A 69 -10.160 -11.037 4.162 1.00 0.32 C ATOM 993 C ALA A 69 -10.866 -9.731 4.513 1.00 0.29 C ATOM 994 O ALA A 69 -10.276 -8.826 5.105 1.00 0.31 O ATOM 995 CB ALA A 69 -8.656 -10.832 4.078 1.00 0.35 C ATOM 0 H ALA A 69 -10.434 -10.997 2.090 1.00 0.38 H new ATOM 0 HA ALA A 69 -10.365 -11.758 4.953 1.00 0.32 H new ATOM 0 HB1 ALA A 69 -8.289 -10.437 5.025 1.00 0.35 H new ATOM 0 HB2 ALA A 69 -8.170 -11.785 3.870 1.00 0.35 H new ATOM 0 HB3 ALA A 69 -8.429 -10.127 3.278 1.00 0.35 H new ATOM 1001 N ALA A 70 -12.142 -9.652 4.156 1.00 0.33 N ATOM 1002 CA ALA A 70 -12.941 -8.450 4.368 1.00 0.41 C ATOM 1003 C ALA A 70 -13.044 -8.100 5.845 1.00 0.50 C ATOM 1004 O ALA A 70 -13.164 -6.933 6.209 1.00 0.62 O ATOM 1005 CB ALA A 70 -14.332 -8.638 3.781 1.00 0.52 C ATOM 0 H ALA A 70 -12.651 -10.416 3.713 1.00 0.33 H new ATOM 0 HA ALA A 70 -12.441 -7.624 3.862 1.00 0.41 H new ATOM 0 HB1 ALA A 70 -14.921 -7.735 3.944 1.00 0.52 H new ATOM 0 HB2 ALA A 70 -14.252 -8.831 2.711 1.00 0.52 H new ATOM 0 HB3 ALA A 70 -14.821 -9.483 4.266 1.00 0.52 H new ATOM 1011 N ASP A 71 -12.974 -9.114 6.690 1.00 0.53 N ATOM 1012 CA ASP A 71 -13.110 -8.923 8.127 1.00 0.70 C ATOM 1013 C ASP A 71 -11.783 -8.522 8.765 1.00 0.64 C ATOM 1014 O ASP A 71 -11.692 -8.365 9.982 1.00 0.84 O ATOM 1015 CB ASP A 71 -13.647 -10.194 8.786 1.00 0.91 C ATOM 1016 CG ASP A 71 -15.088 -10.473 8.411 1.00 1.72 C ATOM 1017 OD1 ASP A 71 -15.326 -11.135 7.376 1.00 2.17 O1- ATOM 1018 OD2 ASP A 71 -15.994 -10.020 9.145 1.00 2.44 O ATOM 0 H ASP A 71 -12.823 -10.082 6.406 1.00 0.53 H new ATOM 0 HA ASP A 71 -13.820 -8.111 8.287 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -13.027 -11.042 8.493 1.00 0.91 H new ATOM 0 HB3 ASP A 71 -13.568 -10.100 9.869 1.00 0.91 H new ATOM 1023 N THR A 72 -10.758 -8.347 7.941 1.00 0.48 N ATOM 1024 CA THR A 72 -9.453 -7.946 8.441 1.00 0.53 C ATOM 1025 C THR A 72 -8.739 -7.018 7.447 1.00 0.65 C ATOM 1026 O THR A 72 -7.618 -7.282 7.015 1.00 1.42 O ATOM 1027 CB THR A 72 -8.579 -9.181 8.795 1.00 0.64 C ATOM 1028 OG1 THR A 72 -7.297 -8.771 9.293 1.00 1.26 O ATOM 1029 CG2 THR A 72 -8.392 -10.104 7.599 1.00 1.46 C ATOM 0 H THR A 72 -10.806 -8.476 6.930 1.00 0.48 H new ATOM 0 HA THR A 72 -9.609 -7.384 9.361 1.00 0.53 H new ATOM 0 HB THR A 72 -9.108 -9.734 9.572 1.00 0.64 H new ATOM 0 HG1 THR A 72 -6.892 -8.133 8.669 1.00 1.26 H new ATOM 0 HG21 THR A 72 -7.775 -10.955 7.889 1.00 1.46 H new ATOM 0 HG22 THR A 72 -9.364 -10.460 7.259 1.00 1.46 H new ATOM 0 HG23 THR A 72 -7.902 -9.559 6.792 1.00 1.46 H new ATOM 1037 N ASP A 73 -9.426 -5.932 7.081 1.00 0.59 N ATOM 1038 CA ASP A 73 -8.836 -4.837 6.291 1.00 0.55 C ATOM 1039 C ASP A 73 -8.465 -5.261 4.873 1.00 0.43 C ATOM 1040 O ASP A 73 -7.650 -4.606 4.216 1.00 0.47 O ATOM 1041 CB ASP A 73 -7.602 -4.261 6.996 1.00 0.69 C ATOM 1042 CG ASP A 73 -7.945 -3.553 8.287 1.00 1.25 C ATOM 1043 OD1 ASP A 73 -8.535 -2.458 8.228 1.00 1.66 O ATOM 1044 OD2 ASP A 73 -7.609 -4.081 9.370 1.00 1.50 O1- ATOM 0 H ASP A 73 -10.406 -5.783 7.322 1.00 0.59 H new ATOM 0 HA ASP A 73 -9.606 -4.070 6.212 1.00 0.55 H new ATOM 0 HB2 ASP A 73 -6.898 -5.067 7.204 1.00 0.69 H new ATOM 0 HB3 ASP A 73 -7.099 -3.563 6.327 1.00 0.69 H new ATOM 1049 N TYR A 74 -9.066 -6.354 4.406 1.00 0.33 N ATOM 1050 CA TYR A 74 -8.816 -6.882 3.063 1.00 0.28 C ATOM 1051 C TYR A 74 -7.346 -7.240 2.868 1.00 0.35 C ATOM 1052 O TYR A 74 -6.814 -7.157 1.759 1.00 0.37 O ATOM 1053 CB TYR A 74 -9.263 -5.894 1.980 1.00 0.32 C ATOM 1054 CG TYR A 74 -10.752 -5.666 1.943 1.00 0.36 C ATOM 1055 CD1 TYR A 74 -11.615 -6.668 1.525 1.00 0.41 C ATOM 1056 CD2 TYR A 74 -11.295 -4.448 2.328 1.00 0.44 C ATOM 1057 CE1 TYR A 74 -12.980 -6.465 1.492 1.00 0.50 C ATOM 1058 CE2 TYR A 74 -12.660 -4.236 2.297 1.00 0.54 C ATOM 1059 CZ TYR A 74 -13.497 -5.240 1.873 1.00 0.57 C ATOM 1060 OH TYR A 74 -14.859 -5.045 1.851 1.00 0.68 O ATOM 0 H TYR A 74 -9.739 -6.899 4.945 1.00 0.33 H new ATOM 0 HA TYR A 74 -9.408 -7.792 2.966 1.00 0.28 H new ATOM 0 HB2 TYR A 74 -8.762 -4.940 2.143 1.00 0.32 H new ATOM 0 HB3 TYR A 74 -8.937 -6.263 1.008 1.00 0.32 H new ATOM 0 HD1 TYR A 74 -11.212 -7.623 1.220 1.00 0.41 H new ATOM 0 HD2 TYR A 74 -10.641 -3.654 2.657 1.00 0.44 H new ATOM 0 HE1 TYR A 74 -13.640 -7.257 1.171 1.00 0.50 H new ATOM 0 HE2 TYR A 74 -13.068 -3.285 2.605 1.00 0.54 H new ATOM 0 HH TYR A 74 -15.064 -4.134 2.147 1.00 0.68 H new ATOM 1070 N VAL A 75 -6.693 -7.628 3.951 1.00 0.45 N ATOM 1071 CA VAL A 75 -5.319 -8.090 3.883 1.00 0.57 C ATOM 1072 C VAL A 75 -5.210 -9.483 4.485 1.00 0.62 C ATOM 1073 O VAL A 75 -5.616 -9.717 5.626 1.00 0.66 O ATOM 1074 CB VAL A 75 -4.326 -7.128 4.585 1.00 0.72 C ATOM 1075 CG1 VAL A 75 -4.235 -5.811 3.833 1.00 1.12 C ATOM 1076 CG2 VAL A 75 -4.717 -6.883 6.035 1.00 1.38 C ATOM 0 H VAL A 75 -7.094 -7.632 4.889 1.00 0.45 H new ATOM 0 HA VAL A 75 -5.043 -8.117 2.829 1.00 0.57 H new ATOM 0 HB VAL A 75 -3.346 -7.605 4.579 1.00 0.72 H new ATOM 0 HG11 VAL A 75 -3.533 -5.150 4.341 1.00 1.12 H new ATOM 0 HG12 VAL A 75 -3.888 -5.996 2.816 1.00 1.12 H new ATOM 0 HG13 VAL A 75 -5.218 -5.341 3.801 1.00 1.12 H new ATOM 0 HG21 VAL A 75 -3.999 -6.204 6.496 1.00 1.38 H new ATOM 0 HG22 VAL A 75 -5.712 -6.439 6.074 1.00 1.38 H new ATOM 0 HG23 VAL A 75 -4.720 -7.829 6.576 1.00 1.38 H new ATOM 1086 N LYS A 76 -4.694 -10.411 3.698 1.00 0.76 N ATOM 1087 CA LYS A 76 -4.542 -11.785 4.141 1.00 0.89 C ATOM 1088 C LYS A 76 -3.513 -11.840 5.265 1.00 0.94 C ATOM 1089 O LYS A 76 -2.428 -11.269 5.133 1.00 0.85 O ATOM 1090 CB LYS A 76 -4.095 -12.666 2.968 1.00 0.97 C ATOM 1091 CG LYS A 76 -4.434 -14.141 3.125 1.00 1.26 C ATOM 1092 CD LYS A 76 -5.939 -14.373 3.091 1.00 1.72 C ATOM 1093 CE LYS A 76 -6.284 -15.854 3.040 1.00 2.01 C ATOM 1094 NZ LYS A 76 -5.771 -16.599 4.222 1.00 2.55 N1+ ATOM 0 H LYS A 76 -4.372 -10.237 2.746 1.00 0.76 H new ATOM 0 HA LYS A 76 -5.497 -12.158 4.510 1.00 0.89 H new ATOM 0 HB2 LYS A 76 -4.558 -12.295 2.054 1.00 0.97 H new ATOM 0 HB3 LYS A 76 -3.017 -12.565 2.844 1.00 0.97 H new ATOM 0 HG2 LYS A 76 -3.958 -14.712 2.327 1.00 1.26 H new ATOM 0 HG3 LYS A 76 -4.029 -14.511 4.067 1.00 1.26 H new ATOM 0 HD2 LYS A 76 -6.395 -13.924 3.973 1.00 1.72 H new ATOM 0 HD3 LYS A 76 -6.364 -13.871 2.222 1.00 1.72 H new ATOM 0 HE2 LYS A 76 -7.366 -15.970 2.983 1.00 2.01 H new ATOM 0 HE3 LYS A 76 -5.868 -16.290 2.131 1.00 2.01 H new ATOM 0 HZ1 LYS A 76 -6.061 -17.596 4.157 1.00 2.55 H new ATOM 0 HZ2 LYS A 76 -4.733 -16.541 4.245 1.00 2.55 H new ATOM 0 HZ3 LYS A 76 -6.160 -16.182 5.091 1.00 2.55 H new ATOM 1108 N PRO A 77 -3.832 -12.518 6.388 1.00 1.21 N ATOM 1109 CA PRO A 77 -2.919 -12.624 7.538 1.00 1.37 C ATOM 1110 C PRO A 77 -1.678 -13.467 7.241 1.00 1.27 C ATOM 1111 O PRO A 77 -0.970 -13.901 8.151 1.00 1.73 O ATOM 1112 CB PRO A 77 -3.771 -13.280 8.626 1.00 1.75 C ATOM 1113 CG PRO A 77 -4.856 -13.995 7.894 1.00 1.92 C ATOM 1114 CD PRO A 77 -5.114 -13.205 6.640 1.00 1.48 C ATOM 0 HA PRO A 77 -2.526 -11.648 7.822 1.00 1.37 H new ATOM 0 HB2 PRO A 77 -3.179 -13.971 9.226 1.00 1.75 H new ATOM 0 HB3 PRO A 77 -4.181 -12.535 9.308 1.00 1.75 H new ATOM 0 HG2 PRO A 77 -4.556 -15.016 7.655 1.00 1.92 H new ATOM 0 HG3 PRO A 77 -5.757 -14.062 8.503 1.00 1.92 H new ATOM 0 HD2 PRO A 77 -5.391 -13.853 5.809 1.00 1.48 H new ATOM 0 HD3 PRO A 77 -5.929 -12.494 6.775 1.00 1.48 H new ATOM 1122 N ASP A 78 -1.441 -13.702 5.961 1.00 1.23 N ATOM 1123 CA ASP A 78 -0.221 -14.331 5.487 1.00 1.22 C ATOM 1124 C ASP A 78 0.984 -13.512 5.941 1.00 0.97 C ATOM 1125 O ASP A 78 1.858 -14.024 6.639 1.00 1.45 O ATOM 1126 CB ASP A 78 -0.270 -14.423 3.955 1.00 1.84 C ATOM 1127 CG ASP A 78 1.049 -14.833 3.332 1.00 2.76 C ATOM 1128 OD1 ASP A 78 1.303 -16.049 3.208 1.00 3.17 O ATOM 1129 OD2 ASP A 78 1.822 -13.938 2.941 1.00 3.52 O1- ATOM 0 H ASP A 78 -2.095 -13.460 5.217 1.00 1.23 H new ATOM 0 HA ASP A 78 -0.130 -15.336 5.900 1.00 1.22 H new ATOM 0 HB2 ASP A 78 -1.038 -15.141 3.666 1.00 1.84 H new ATOM 0 HB3 ASP A 78 -0.569 -13.456 3.550 1.00 1.84 H new ATOM 1134 N ASP A 79 1.002 -12.236 5.557 1.00 0.95 N ATOM 1135 CA ASP A 79 2.069 -11.299 5.944 1.00 1.45 C ATOM 1136 C ASP A 79 3.467 -11.826 5.600 1.00 1.04 C ATOM 1137 O ASP A 79 4.462 -11.416 6.202 1.00 1.19 O ATOM 1138 CB ASP A 79 1.993 -10.963 7.440 1.00 2.34 C ATOM 1139 CG ASP A 79 0.779 -10.125 7.806 1.00 3.15 C ATOM 1140 OD1 ASP A 79 0.862 -8.880 7.732 1.00 3.57 O1- ATOM 1141 OD2 ASP A 79 -0.259 -10.705 8.188 1.00 3.58 O ATOM 0 H ASP A 79 0.281 -11.818 4.969 1.00 0.95 H new ATOM 0 HA ASP A 79 1.905 -10.391 5.363 1.00 1.45 H new ATOM 0 HB2 ASP A 79 1.972 -11.890 8.013 1.00 2.34 H new ATOM 0 HB3 ASP A 79 2.897 -10.428 7.732 1.00 2.34 H new ATOM 1146 N ALA A 80 3.541 -12.737 4.640 1.00 0.88 N ATOM 1147 CA ALA A 80 4.818 -13.236 4.155 1.00 0.73 C ATOM 1148 C ALA A 80 5.058 -12.734 2.741 1.00 0.65 C ATOM 1149 O ALA A 80 6.165 -12.330 2.388 1.00 0.82 O ATOM 1150 CB ALA A 80 4.853 -14.756 4.207 1.00 1.02 C ATOM 0 H ALA A 80 2.728 -13.146 4.181 1.00 0.88 H new ATOM 0 HA ALA A 80 5.615 -12.864 4.799 1.00 0.73 H new ATOM 0 HB1 ALA A 80 5.816 -15.111 3.840 1.00 1.02 H new ATOM 0 HB2 ALA A 80 4.712 -15.088 5.235 1.00 1.02 H new ATOM 0 HB3 ALA A 80 4.056 -15.160 3.583 1.00 1.02 H new ATOM 1156 N ARG A 81 3.997 -12.749 1.941 1.00 0.61 N ATOM 1157 CA ARG A 81 4.034 -12.167 0.605 1.00 0.73 C ATOM 1158 C ARG A 81 3.993 -10.653 0.735 1.00 0.72 C ATOM 1159 O ARG A 81 4.488 -9.918 -0.120 1.00 0.96 O ATOM 1160 CB ARG A 81 2.832 -12.635 -0.222 1.00 0.87 C ATOM 1161 CG ARG A 81 2.639 -14.143 -0.248 1.00 1.31 C ATOM 1162 CD ARG A 81 1.359 -14.523 -0.976 1.00 1.36 C ATOM 1163 NE ARG A 81 1.045 -15.941 -0.829 1.00 1.55 N ATOM 1164 CZ ARG A 81 0.741 -16.753 -1.841 1.00 1.73 C ATOM 1165 NH1 ARG A 81 0.772 -16.314 -3.094 1.00 1.75 N1+ ATOM 1166 NH2 ARG A 81 0.424 -18.016 -1.595 1.00 2.33 N ATOM 0 H ARG A 81 3.099 -13.159 2.196 1.00 0.61 H new ATOM 0 HA ARG A 81 4.947 -12.485 0.101 1.00 0.73 H new ATOM 0 HB2 ARG A 81 1.929 -12.172 0.176 1.00 0.87 H new ATOM 0 HB3 ARG A 81 2.949 -12.278 -1.245 1.00 0.87 H new ATOM 0 HG2 ARG A 81 3.492 -14.613 -0.738 1.00 1.31 H new ATOM 0 HG3 ARG A 81 2.607 -14.525 0.772 1.00 1.31 H new ATOM 0 HD2 ARG A 81 0.532 -13.927 -0.590 1.00 1.36 H new ATOM 0 HD3 ARG A 81 1.459 -14.282 -2.034 1.00 1.36 H new ATOM 0 HE ARG A 81 1.059 -16.337 0.111 1.00 1.55 H new ATOM 0 HH11 ARG A 81 1.030 -15.347 -3.289 1.00 1.75 H new ATOM 0 HH12 ARG A 81 0.537 -16.944 -3.861 1.00 1.75 H new ATOM 0 HH21 ARG A 81 0.414 -18.362 -0.635 1.00 2.33 H new ATOM 0 HH22 ARG A 81 0.190 -18.642 -2.365 1.00 2.33 H new ATOM 1180 N VAL A 82 3.394 -10.212 1.832 1.00 0.60 N ATOM 1181 CA VAL A 82 3.222 -8.804 2.121 1.00 0.62 C ATOM 1182 C VAL A 82 4.286 -8.343 3.109 1.00 0.58 C ATOM 1183 O VAL A 82 4.630 -9.063 4.047 1.00 0.74 O ATOM 1184 CB VAL A 82 1.821 -8.529 2.712 1.00 0.69 C ATOM 1185 CG1 VAL A 82 1.610 -7.044 2.958 1.00 0.77 C ATOM 1186 CG2 VAL A 82 0.731 -9.078 1.800 1.00 0.78 C ATOM 0 H VAL A 82 3.013 -10.829 2.549 1.00 0.60 H new ATOM 0 HA VAL A 82 3.322 -8.251 1.187 1.00 0.62 H new ATOM 0 HB VAL A 82 1.760 -9.043 3.671 1.00 0.69 H new ATOM 0 HG11 VAL A 82 0.616 -6.882 3.374 1.00 0.77 H new ATOM 0 HG12 VAL A 82 2.361 -6.681 3.660 1.00 0.77 H new ATOM 0 HG13 VAL A 82 1.702 -6.503 2.017 1.00 0.77 H new ATOM 0 HG21 VAL A 82 -0.246 -8.873 2.237 1.00 0.78 H new ATOM 0 HG22 VAL A 82 0.799 -8.600 0.823 1.00 0.78 H new ATOM 0 HG23 VAL A 82 0.859 -10.155 1.687 1.00 0.78 H new ATOM 1196 N VAL A 83 4.819 -7.156 2.878 1.00 0.42 N ATOM 1197 CA VAL A 83 5.834 -6.594 3.749 1.00 0.42 C ATOM 1198 C VAL A 83 5.223 -5.562 4.693 1.00 0.38 C ATOM 1199 O VAL A 83 5.552 -5.516 5.879 1.00 0.43 O ATOM 1200 CB VAL A 83 6.971 -5.954 2.928 1.00 0.47 C ATOM 1201 CG1 VAL A 83 7.995 -5.285 3.831 1.00 0.65 C ATOM 1202 CG2 VAL A 83 7.639 -7.005 2.056 1.00 0.91 C ATOM 0 H VAL A 83 4.563 -6.561 2.090 1.00 0.42 H new ATOM 0 HA VAL A 83 6.252 -7.407 4.343 1.00 0.42 H new ATOM 0 HB VAL A 83 6.538 -5.184 2.289 1.00 0.47 H new ATOM 0 HG11 VAL A 83 8.784 -4.843 3.222 1.00 0.65 H new ATOM 0 HG12 VAL A 83 7.509 -4.505 4.417 1.00 0.65 H new ATOM 0 HG13 VAL A 83 8.428 -6.027 4.503 1.00 0.65 H new ATOM 0 HG21 VAL A 83 8.441 -6.543 1.480 1.00 0.91 H new ATOM 0 HG22 VAL A 83 8.052 -7.792 2.687 1.00 0.91 H new ATOM 0 HG23 VAL A 83 6.904 -7.434 1.375 1.00 0.91 H new ATOM 1212 N ALA A 84 4.323 -4.747 4.163 1.00 0.35 N ATOM 1213 CA ALA A 84 3.668 -3.719 4.954 1.00 0.34 C ATOM 1214 C ALA A 84 2.291 -3.405 4.387 1.00 0.31 C ATOM 1215 O ALA A 84 2.080 -3.479 3.175 1.00 0.31 O ATOM 1216 CB ALA A 84 4.522 -2.463 5.001 1.00 0.36 C ATOM 0 H ALA A 84 4.030 -4.779 3.186 1.00 0.35 H new ATOM 0 HA ALA A 84 3.544 -4.092 5.971 1.00 0.34 H new ATOM 0 HB1 ALA A 84 4.018 -1.702 5.597 1.00 0.36 H new ATOM 0 HB2 ALA A 84 5.487 -2.696 5.451 1.00 0.36 H new ATOM 0 HB3 ALA A 84 4.674 -2.089 3.989 1.00 0.36 H new ATOM 1222 N HIS A 85 1.355 -3.068 5.266 1.00 0.30 N ATOM 1223 CA HIS A 85 -0.005 -2.732 4.853 1.00 0.28 C ATOM 1224 C HIS A 85 -0.674 -1.819 5.873 1.00 0.28 C ATOM 1225 O HIS A 85 -0.501 -1.991 7.079 1.00 0.36 O ATOM 1226 CB HIS A 85 -0.848 -4.004 4.650 1.00 0.31 C ATOM 1227 CG HIS A 85 -0.797 -4.983 5.790 1.00 0.78 C ATOM 1228 ND1 HIS A 85 -1.790 -5.095 6.738 1.00 0.86 N ATOM 1229 CD2 HIS A 85 0.122 -5.927 6.103 1.00 1.53 C ATOM 1230 CE1 HIS A 85 -1.481 -6.062 7.582 1.00 1.53 C ATOM 1231 NE2 HIS A 85 -0.327 -6.584 7.216 1.00 1.96 N ATOM 0 H HIS A 85 1.512 -3.020 6.273 1.00 0.30 H new ATOM 0 HA HIS A 85 0.059 -2.202 3.903 1.00 0.28 H new ATOM 0 HB2 HIS A 85 -1.885 -3.713 4.486 1.00 0.31 H new ATOM 0 HB3 HIS A 85 -0.510 -4.506 3.743 1.00 0.31 H new ATOM 0 HD2 HIS A 85 1.041 -6.125 5.571 1.00 1.53 H new ATOM 0 HE1 HIS A 85 -2.074 -6.373 8.430 1.00 1.53 H new ATOM 0 HE2 HIS A 85 0.153 -7.352 7.686 1.00 1.96 H new ATOM 1240 N THR A 86 -1.423 -0.841 5.380 1.00 0.25 N ATOM 1241 CA THR A 86 -2.157 0.076 6.242 1.00 0.27 C ATOM 1242 C THR A 86 -3.520 -0.512 6.604 1.00 0.31 C ATOM 1243 O THR A 86 -3.935 -1.527 6.038 1.00 0.50 O ATOM 1244 CB THR A 86 -2.380 1.441 5.556 1.00 0.24 C ATOM 1245 OG1 THR A 86 -3.085 1.256 4.322 1.00 0.27 O ATOM 1246 CG2 THR A 86 -1.062 2.150 5.286 1.00 0.29 C ATOM 0 H THR A 86 -1.538 -0.662 4.382 1.00 0.25 H new ATOM 0 HA THR A 86 -1.558 0.222 7.141 1.00 0.27 H new ATOM 0 HB THR A 86 -2.969 2.062 6.231 1.00 0.24 H new ATOM 0 HG1 THR A 86 -3.365 2.127 3.972 1.00 0.27 H new ATOM 0 HG21 THR A 86 -1.256 3.107 4.803 1.00 0.29 H new ATOM 0 HG22 THR A 86 -0.540 2.318 6.228 1.00 0.29 H new ATOM 0 HG23 THR A 86 -0.444 1.533 4.634 1.00 0.29 H new ATOM 1254 N LYS A 87 -4.210 0.123 7.542 1.00 0.29 N ATOM 1255 CA LYS A 87 -5.572 -0.268 7.883 1.00 0.32 C ATOM 1256 C LYS A 87 -6.516 0.173 6.766 1.00 0.29 C ATOM 1257 O LYS A 87 -6.225 1.134 6.049 1.00 0.35 O ATOM 1258 CB LYS A 87 -5.999 0.374 9.212 1.00 0.40 C ATOM 1259 CG LYS A 87 -7.323 -0.152 9.750 1.00 1.07 C ATOM 1260 CD LYS A 87 -7.779 0.605 10.987 1.00 1.29 C ATOM 1261 CE LYS A 87 -8.319 1.985 10.640 1.00 1.83 C ATOM 1262 NZ LYS A 87 -9.564 1.915 9.828 1.00 2.85 N1+ ATOM 0 H LYS A 87 -3.850 0.911 8.080 1.00 0.29 H new ATOM 0 HA LYS A 87 -5.615 -1.351 7.994 1.00 0.32 H new ATOM 0 HB2 LYS A 87 -5.221 0.201 9.955 1.00 0.40 H new ATOM 0 HB3 LYS A 87 -6.075 1.453 9.076 1.00 0.40 H new ATOM 0 HG2 LYS A 87 -8.086 -0.073 8.975 1.00 1.07 H new ATOM 0 HG3 LYS A 87 -7.221 -1.210 9.990 1.00 1.07 H new ATOM 0 HD2 LYS A 87 -8.551 0.031 11.500 1.00 1.29 H new ATOM 0 HD3 LYS A 87 -6.944 0.706 11.680 1.00 1.29 H new ATOM 0 HE2 LYS A 87 -8.517 2.537 11.559 1.00 1.83 H new ATOM 0 HE3 LYS A 87 -7.560 2.542 10.091 1.00 1.83 H new ATOM 0 HZ1 LYS A 87 -10.014 2.852 9.801 1.00 2.85 H new ATOM 0 HZ2 LYS A 87 -9.331 1.615 8.860 1.00 2.85 H new ATOM 0 HZ3 LYS A 87 -10.219 1.229 10.255 1.00 2.85 H new ATOM 1276 N LEU A 88 -7.630 -0.529 6.612 1.00 0.30 N ATOM 1277 CA LEU A 88 -8.628 -0.164 5.622 1.00 0.37 C ATOM 1278 C LEU A 88 -9.354 1.079 6.114 1.00 0.36 C ATOM 1279 O LEU A 88 -10.087 1.035 7.104 1.00 0.50 O ATOM 1280 CB LEU A 88 -9.604 -1.331 5.396 1.00 0.52 C ATOM 1281 CG LEU A 88 -10.435 -1.294 4.100 1.00 0.56 C ATOM 1282 CD1 LEU A 88 -11.552 -0.263 4.178 1.00 1.24 C ATOM 1283 CD2 LEU A 88 -9.544 -1.015 2.895 1.00 0.92 C ATOM 0 H LEU A 88 -7.864 -1.356 7.162 1.00 0.30 H new ATOM 0 HA LEU A 88 -8.154 0.051 4.664 1.00 0.37 H new ATOM 0 HB2 LEU A 88 -9.033 -2.260 5.408 1.00 0.52 H new ATOM 0 HB3 LEU A 88 -10.292 -1.368 6.241 1.00 0.52 H new ATOM 0 HG LEU A 88 -10.893 -2.276 3.980 1.00 0.56 H new ATOM 0 HD11 LEU A 88 -12.116 -0.266 3.245 1.00 1.24 H new ATOM 0 HD12 LEU A 88 -12.217 -0.509 5.005 1.00 1.24 H new ATOM 0 HD13 LEU A 88 -11.124 0.726 4.339 1.00 1.24 H new ATOM 0 HD21 LEU A 88 -10.152 -0.993 1.990 1.00 0.92 H new ATOM 0 HD22 LEU A 88 -9.050 -0.052 3.023 1.00 0.92 H new ATOM 0 HD23 LEU A 88 -8.793 -1.800 2.809 1.00 0.92 H new ATOM 1295 N ILE A 89 -9.119 2.191 5.442 1.00 0.31 N ATOM 1296 CA ILE A 89 -9.624 3.470 5.903 1.00 0.31 C ATOM 1297 C ILE A 89 -10.682 4.033 4.964 1.00 0.33 C ATOM 1298 O ILE A 89 -10.557 3.949 3.738 1.00 0.35 O ATOM 1299 CB ILE A 89 -8.479 4.493 6.070 1.00 0.27 C ATOM 1300 CG1 ILE A 89 -7.664 4.626 4.778 1.00 0.23 C ATOM 1301 CG2 ILE A 89 -7.581 4.084 7.230 1.00 0.28 C ATOM 1302 CD1 ILE A 89 -6.594 5.699 4.836 1.00 0.21 C ATOM 0 H ILE A 89 -8.582 2.234 4.576 1.00 0.31 H new ATOM 0 HA ILE A 89 -10.087 3.294 6.874 1.00 0.31 H new ATOM 0 HB ILE A 89 -8.917 5.467 6.288 1.00 0.27 H new ATOM 0 HG12 ILE A 89 -7.193 3.668 4.557 1.00 0.23 H new ATOM 0 HG13 ILE A 89 -8.342 4.846 3.953 1.00 0.23 H new ATOM 0 HG21 ILE A 89 -6.776 4.811 7.341 1.00 0.28 H new ATOM 0 HG22 ILE A 89 -8.167 4.048 8.149 1.00 0.28 H new ATOM 0 HG23 ILE A 89 -7.156 3.100 7.032 1.00 0.28 H new ATOM 0 HD11 ILE A 89 -6.061 5.733 3.886 1.00 0.21 H new ATOM 0 HD12 ILE A 89 -7.059 6.667 5.026 1.00 0.21 H new ATOM 0 HD13 ILE A 89 -5.892 5.470 5.638 1.00 0.21 H new ATOM 1314 N GLY A 90 -11.737 4.584 5.552 1.00 0.34 N ATOM 1315 CA GLY A 90 -12.775 5.232 4.776 1.00 0.37 C ATOM 1316 C GLY A 90 -12.505 6.713 4.603 1.00 0.51 C ATOM 1317 O GLY A 90 -11.411 7.189 4.912 1.00 0.79 O ATOM 0 H GLY A 90 -11.892 4.593 6.560 1.00 0.34 H new ATOM 0 HA2 GLY A 90 -12.846 4.758 3.797 1.00 0.37 H new ATOM 0 HA3 GLY A 90 -13.738 5.093 5.268 1.00 0.37 H new ATOM 1321 N GLY A 91 -13.491 7.439 4.093 1.00 0.60 N ATOM 1322 CA GLY A 91 -13.330 8.863 3.870 1.00 0.81 C ATOM 1323 C GLY A 91 -13.119 9.627 5.159 1.00 0.57 C ATOM 1324 O GLY A 91 -13.955 9.573 6.062 1.00 0.70 O ATOM 0 H GLY A 91 -14.403 7.066 3.829 1.00 0.60 H new ATOM 0 HA2 GLY A 91 -12.481 9.031 3.208 1.00 0.81 H new ATOM 0 HA3 GLY A 91 -14.212 9.251 3.361 1.00 0.81 H new ATOM 1328 N GLY A 92 -11.998 10.326 5.252 1.00 0.54 N ATOM 1329 CA GLY A 92 -11.711 11.113 6.431 1.00 0.56 C ATOM 1330 C GLY A 92 -10.832 10.373 7.416 1.00 0.52 C ATOM 1331 O GLY A 92 -10.626 10.830 8.542 1.00 0.80 O ATOM 0 H GLY A 92 -11.280 10.362 4.529 1.00 0.54 H new ATOM 0 HA2 GLY A 92 -11.221 12.040 6.135 1.00 0.56 H new ATOM 0 HA3 GLY A 92 -12.647 11.388 6.918 1.00 0.56 H new ATOM 1335 N GLU A 93 -10.323 9.223 6.999 1.00 0.34 N ATOM 1336 CA GLU A 93 -9.437 8.429 7.835 1.00 0.27 C ATOM 1337 C GLU A 93 -8.010 8.464 7.300 1.00 0.23 C ATOM 1338 O GLU A 93 -7.779 8.794 6.132 1.00 0.29 O ATOM 1339 CB GLU A 93 -9.911 6.978 7.897 1.00 0.30 C ATOM 1340 CG GLU A 93 -11.122 6.735 8.782 1.00 0.38 C ATOM 1341 CD GLU A 93 -11.437 5.257 8.907 1.00 1.32 C ATOM 1342 OE1 GLU A 93 -10.692 4.535 9.598 1.00 1.33 O ATOM 1343 OE2 GLU A 93 -12.450 4.811 8.326 1.00 2.34 O1- ATOM 0 H GLU A 93 -10.510 8.818 6.082 1.00 0.34 H new ATOM 0 HA GLU A 93 -9.456 8.860 8.836 1.00 0.27 H new ATOM 0 HB2 GLU A 93 -10.146 6.645 6.886 1.00 0.30 H new ATOM 0 HB3 GLU A 93 -9.089 6.358 8.254 1.00 0.30 H new ATOM 0 HG2 GLU A 93 -10.939 7.153 9.772 1.00 0.38 H new ATOM 0 HG3 GLU A 93 -11.985 7.258 8.370 1.00 0.38 H new ATOM 1350 N GLU A 94 -7.057 8.116 8.157 1.00 0.21 N ATOM 1351 CA GLU A 94 -5.664 8.018 7.754 1.00 0.21 C ATOM 1352 C GLU A 94 -4.984 6.862 8.482 1.00 0.22 C ATOM 1353 O GLU A 94 -5.345 6.529 9.614 1.00 0.28 O ATOM 1354 CB GLU A 94 -4.907 9.336 8.012 1.00 0.25 C ATOM 1355 CG GLU A 94 -4.706 9.696 9.479 1.00 0.83 C ATOM 1356 CD GLU A 94 -5.985 10.094 10.182 1.00 1.27 C ATOM 1357 OE1 GLU A 94 -6.668 11.021 9.704 1.00 1.67 O1- ATOM 1358 OE2 GLU A 94 -6.329 9.469 11.204 1.00 1.86 O ATOM 0 H GLU A 94 -7.227 7.897 9.138 1.00 0.21 H new ATOM 0 HA GLU A 94 -5.639 7.826 6.681 1.00 0.21 H new ATOM 0 HB2 GLU A 94 -3.930 9.274 7.533 1.00 0.25 H new ATOM 0 HB3 GLU A 94 -5.449 10.148 7.527 1.00 0.25 H new ATOM 0 HG2 GLU A 94 -4.266 8.844 9.997 1.00 0.83 H new ATOM 0 HG3 GLU A 94 -3.991 10.516 9.549 1.00 0.83 H new ATOM 1365 N SER A 95 -4.014 6.246 7.822 1.00 0.22 N ATOM 1366 CA SER A 95 -3.273 5.135 8.401 1.00 0.27 C ATOM 1367 C SER A 95 -1.851 5.137 7.852 1.00 0.23 C ATOM 1368 O SER A 95 -1.609 5.626 6.747 1.00 0.29 O ATOM 1369 CB SER A 95 -3.980 3.805 8.098 1.00 0.37 C ATOM 1370 OG SER A 95 -3.346 2.715 8.747 1.00 1.35 O ATOM 0 H SER A 95 -3.720 6.499 6.879 1.00 0.22 H new ATOM 0 HA SER A 95 -3.232 5.250 9.484 1.00 0.27 H new ATOM 0 HB2 SER A 95 -5.020 3.864 8.418 1.00 0.37 H new ATOM 0 HB3 SER A 95 -3.987 3.634 7.022 1.00 0.37 H new ATOM 0 HG SER A 95 -3.967 2.311 9.389 1.00 1.35 H new ATOM 1376 N SER A 96 -0.911 4.610 8.621 1.00 0.28 N ATOM 1377 CA SER A 96 0.490 4.649 8.242 1.00 0.25 C ATOM 1378 C SER A 96 1.156 3.299 8.476 1.00 0.27 C ATOM 1379 O SER A 96 0.680 2.490 9.276 1.00 0.35 O ATOM 1380 CB SER A 96 1.218 5.735 9.042 1.00 0.29 C ATOM 1381 OG SER A 96 0.598 6.998 8.870 1.00 1.00 O ATOM 0 H SER A 96 -1.095 4.150 9.513 1.00 0.28 H new ATOM 0 HA SER A 96 0.550 4.881 7.179 1.00 0.25 H new ATOM 0 HB2 SER A 96 1.223 5.470 10.099 1.00 0.29 H new ATOM 0 HB3 SER A 96 2.259 5.791 8.722 1.00 0.29 H new ATOM 0 HG SER A 96 1.256 7.643 8.537 1.00 1.00 H new ATOM 1387 N LEU A 97 2.247 3.060 7.768 1.00 0.22 N ATOM 1388 CA LEU A 97 3.031 1.849 7.945 1.00 0.25 C ATOM 1389 C LEU A 97 4.515 2.178 7.911 1.00 0.24 C ATOM 1390 O LEU A 97 4.913 3.210 7.376 1.00 0.21 O ATOM 1391 CB LEU A 97 2.682 0.809 6.865 1.00 0.26 C ATOM 1392 CG LEU A 97 2.851 1.262 5.399 1.00 0.23 C ATOM 1393 CD1 LEU A 97 4.310 1.219 4.961 1.00 0.23 C ATOM 1394 CD2 LEU A 97 2.012 0.398 4.474 1.00 0.25 C ATOM 0 H LEU A 97 2.613 3.695 7.059 1.00 0.22 H new ATOM 0 HA LEU A 97 2.790 1.419 8.917 1.00 0.25 H new ATOM 0 HB2 LEU A 97 3.304 -0.072 7.025 1.00 0.26 H new ATOM 0 HB3 LEU A 97 1.647 0.499 7.010 1.00 0.26 H new ATOM 0 HG LEU A 97 2.508 2.295 5.337 1.00 0.23 H new ATOM 0 HD11 LEU A 97 4.388 1.545 3.924 1.00 0.23 H new ATOM 0 HD12 LEU A 97 4.900 1.881 5.595 1.00 0.23 H new ATOM 0 HD13 LEU A 97 4.687 0.200 5.051 1.00 0.23 H new ATOM 0 HD21 LEU A 97 2.144 0.732 3.445 1.00 0.25 H new ATOM 0 HD22 LEU A 97 2.328 -0.642 4.561 1.00 0.25 H new ATOM 0 HD23 LEU A 97 0.961 0.482 4.751 1.00 0.25 H new ATOM 1406 N THR A 98 5.323 1.306 8.481 1.00 0.31 N ATOM 1407 CA THR A 98 6.766 1.448 8.419 1.00 0.31 C ATOM 1408 C THR A 98 7.380 0.161 7.885 1.00 0.32 C ATOM 1409 O THR A 98 7.110 -0.923 8.400 1.00 0.41 O ATOM 1410 CB THR A 98 7.364 1.785 9.798 1.00 0.37 C ATOM 1411 OG1 THR A 98 6.779 2.994 10.303 1.00 1.14 O ATOM 1412 CG2 THR A 98 8.872 1.949 9.712 1.00 0.79 C ATOM 0 H THR A 98 5.003 0.486 8.996 1.00 0.31 H new ATOM 0 HA THR A 98 6.998 2.275 7.748 1.00 0.31 H new ATOM 0 HB THR A 98 7.142 0.960 10.475 1.00 0.37 H new ATOM 0 HG1 THR A 98 7.218 3.767 9.890 1.00 1.14 H new ATOM 0 HG21 THR A 98 9.269 2.187 10.699 1.00 0.79 H new ATOM 0 HG22 THR A 98 9.319 1.021 9.355 1.00 0.79 H new ATOM 0 HG23 THR A 98 9.111 2.757 9.021 1.00 0.79 H new ATOM 1420 N LEU A 99 8.183 0.283 6.846 1.00 0.30 N ATOM 1421 CA LEU A 99 8.731 -0.878 6.171 1.00 0.34 C ATOM 1422 C LEU A 99 10.251 -0.892 6.237 1.00 0.32 C ATOM 1423 O LEU A 99 10.887 0.141 6.470 1.00 0.29 O ATOM 1424 CB LEU A 99 8.247 -0.898 4.714 1.00 0.37 C ATOM 1425 CG LEU A 99 8.519 0.377 3.905 1.00 0.37 C ATOM 1426 CD1 LEU A 99 9.914 0.354 3.297 1.00 0.42 C ATOM 1427 CD2 LEU A 99 7.471 0.550 2.820 1.00 0.49 C ATOM 0 H LEU A 99 8.471 1.177 6.450 1.00 0.30 H new ATOM 0 HA LEU A 99 8.378 -1.776 6.679 1.00 0.34 H new ATOM 0 HB2 LEU A 99 8.720 -1.737 4.205 1.00 0.37 H new ATOM 0 HB3 LEU A 99 7.174 -1.087 4.710 1.00 0.37 H new ATOM 0 HG LEU A 99 8.462 1.226 4.586 1.00 0.37 H new ATOM 0 HD11 LEU A 99 10.079 1.270 2.729 1.00 0.42 H new ATOM 0 HD12 LEU A 99 10.656 0.281 4.092 1.00 0.42 H new ATOM 0 HD13 LEU A 99 10.008 -0.506 2.633 1.00 0.42 H new ATOM 0 HD21 LEU A 99 7.678 1.459 2.255 1.00 0.49 H new ATOM 0 HD22 LEU A 99 7.497 -0.308 2.149 1.00 0.49 H new ATOM 0 HD23 LEU A 99 6.484 0.624 3.276 1.00 0.49 H new ATOM 1439 N ASP A 100 10.820 -2.072 6.036 1.00 0.38 N ATOM 1440 CA ASP A 100 12.264 -2.247 6.022 1.00 0.40 C ATOM 1441 C ASP A 100 12.782 -2.275 4.582 1.00 0.38 C ATOM 1442 O ASP A 100 12.349 -3.103 3.777 1.00 0.42 O ATOM 1443 CB ASP A 100 12.633 -3.548 6.735 1.00 0.50 C ATOM 1444 CG ASP A 100 14.115 -3.842 6.669 1.00 1.26 C ATOM 1445 OD1 ASP A 100 14.861 -3.326 7.522 1.00 1.72 O ATOM 1446 OD2 ASP A 100 14.540 -4.589 5.764 1.00 2.08 O1- ATOM 0 H ASP A 100 10.295 -2.932 5.879 1.00 0.38 H new ATOM 0 HA ASP A 100 12.726 -1.408 6.542 1.00 0.40 H new ATOM 0 HB2 ASP A 100 12.324 -3.488 7.778 1.00 0.50 H new ATOM 0 HB3 ASP A 100 12.081 -4.374 6.286 1.00 0.50 H new ATOM 1451 N PRO A 101 13.711 -1.357 4.239 1.00 0.38 N ATOM 1452 CA PRO A 101 14.271 -1.248 2.882 1.00 0.41 C ATOM 1453 C PRO A 101 14.989 -2.511 2.424 1.00 0.39 C ATOM 1454 O PRO A 101 15.013 -2.821 1.233 1.00 0.43 O ATOM 1455 CB PRO A 101 15.276 -0.097 2.985 1.00 0.46 C ATOM 1456 CG PRO A 101 14.873 0.669 4.194 1.00 0.53 C ATOM 1457 CD PRO A 101 14.274 -0.334 5.141 1.00 0.43 C ATOM 0 HA PRO A 101 13.478 -1.087 2.151 1.00 0.41 H new ATOM 0 HB2 PRO A 101 16.295 -0.472 3.079 1.00 0.46 H new ATOM 0 HB3 PRO A 101 15.248 0.531 2.094 1.00 0.46 H new ATOM 0 HG2 PRO A 101 15.732 1.166 4.645 1.00 0.53 H new ATOM 0 HG3 PRO A 101 14.151 1.446 3.941 1.00 0.53 H new ATOM 0 HD2 PRO A 101 15.025 -0.756 5.809 1.00 0.43 H new ATOM 0 HD3 PRO A 101 13.505 0.115 5.770 1.00 0.43 H new ATOM 1465 N ALA A 102 15.575 -3.237 3.365 1.00 0.42 N ATOM 1466 CA ALA A 102 16.336 -4.431 3.036 1.00 0.48 C ATOM 1467 C ALA A 102 15.405 -5.559 2.608 1.00 0.46 C ATOM 1468 O ALA A 102 15.757 -6.372 1.756 1.00 0.49 O ATOM 1469 CB ALA A 102 17.199 -4.857 4.213 1.00 0.62 C ATOM 0 H ALA A 102 15.538 -3.020 4.361 1.00 0.42 H new ATOM 0 HA ALA A 102 16.995 -4.200 2.199 1.00 0.48 H new ATOM 0 HB1 ALA A 102 17.761 -5.752 3.947 1.00 0.62 H new ATOM 0 HB2 ALA A 102 17.893 -4.055 4.465 1.00 0.62 H new ATOM 0 HB3 ALA A 102 16.563 -5.070 5.072 1.00 0.62 H new ATOM 1475 N LYS A 103 14.213 -5.593 3.195 1.00 0.47 N ATOM 1476 CA LYS A 103 13.202 -6.577 2.823 1.00 0.52 C ATOM 1477 C LYS A 103 12.753 -6.357 1.386 1.00 0.52 C ATOM 1478 O LYS A 103 12.490 -7.307 0.651 1.00 0.69 O ATOM 1479 CB LYS A 103 11.992 -6.504 3.763 1.00 0.60 C ATOM 1480 CG LYS A 103 12.262 -7.015 5.171 1.00 1.28 C ATOM 1481 CD LYS A 103 12.483 -8.522 5.201 1.00 1.53 C ATOM 1482 CE LYS A 103 11.220 -9.286 4.823 1.00 2.13 C ATOM 1483 NZ LYS A 103 11.407 -10.760 4.913 1.00 2.92 N1+ ATOM 0 H LYS A 103 13.923 -4.950 3.931 1.00 0.47 H new ATOM 0 HA LYS A 103 13.649 -7.567 2.911 1.00 0.52 H new ATOM 0 HB2 LYS A 103 11.655 -5.469 3.823 1.00 0.60 H new ATOM 0 HB3 LYS A 103 11.175 -7.081 3.330 1.00 0.60 H new ATOM 0 HG2 LYS A 103 13.140 -6.512 5.577 1.00 1.28 H new ATOM 0 HG3 LYS A 103 11.422 -6.759 5.816 1.00 1.28 H new ATOM 0 HD2 LYS A 103 13.287 -8.785 4.513 1.00 1.53 H new ATOM 0 HD3 LYS A 103 12.805 -8.823 6.198 1.00 1.53 H new ATOM 0 HE2 LYS A 103 10.404 -8.984 5.480 1.00 2.13 H new ATOM 0 HE3 LYS A 103 10.927 -9.020 3.808 1.00 2.13 H new ATOM 0 HZ1 LYS A 103 10.523 -11.239 4.647 1.00 2.92 H new ATOM 0 HZ2 LYS A 103 12.167 -11.054 4.267 1.00 2.92 H new ATOM 0 HZ3 LYS A 103 11.661 -11.019 5.888 1.00 2.92 H new ATOM 1497 N LEU A 104 12.696 -5.095 0.981 1.00 0.43 N ATOM 1498 CA LEU A 104 12.259 -4.749 -0.366 1.00 0.44 C ATOM 1499 C LEU A 104 13.391 -4.949 -1.362 1.00 0.47 C ATOM 1500 O LEU A 104 13.190 -4.898 -2.573 1.00 0.51 O ATOM 1501 CB LEU A 104 11.766 -3.304 -0.430 1.00 0.43 C ATOM 1502 CG LEU A 104 10.641 -2.939 0.542 1.00 0.70 C ATOM 1503 CD1 LEU A 104 10.125 -1.540 0.249 1.00 1.22 C ATOM 1504 CD2 LEU A 104 9.508 -3.953 0.473 1.00 1.30 C ATOM 0 H LEU A 104 12.946 -4.296 1.564 1.00 0.43 H new ATOM 0 HA LEU A 104 11.432 -5.410 -0.626 1.00 0.44 H new ATOM 0 HB2 LEU A 104 12.612 -2.643 -0.241 1.00 0.43 H new ATOM 0 HB3 LEU A 104 11.423 -3.102 -1.445 1.00 0.43 H new ATOM 0 HG LEU A 104 11.046 -2.958 1.554 1.00 0.70 H new ATOM 0 HD11 LEU A 104 9.325 -1.293 0.948 1.00 1.22 H new ATOM 0 HD12 LEU A 104 10.938 -0.822 0.359 1.00 1.22 H new ATOM 0 HD13 LEU A 104 9.741 -1.500 -0.770 1.00 1.22 H new ATOM 0 HD21 LEU A 104 8.723 -3.669 1.174 1.00 1.30 H new ATOM 0 HD22 LEU A 104 9.101 -3.976 -0.538 1.00 1.30 H new ATOM 0 HD23 LEU A 104 9.887 -4.941 0.734 1.00 1.30 H new ATOM 1516 N ALA A 105 14.582 -5.184 -0.841 1.00 0.55 N ATOM 1517 CA ALA A 105 15.747 -5.403 -1.677 1.00 0.63 C ATOM 1518 C ALA A 105 15.854 -6.868 -2.085 1.00 0.72 C ATOM 1519 O ALA A 105 16.686 -7.234 -2.915 1.00 1.08 O ATOM 1520 CB ALA A 105 17.011 -4.953 -0.958 1.00 0.73 C ATOM 0 H ALA A 105 14.767 -5.228 0.161 1.00 0.55 H new ATOM 0 HA ALA A 105 15.634 -4.807 -2.582 1.00 0.63 H new ATOM 0 HB1 ALA A 105 17.875 -5.125 -1.600 1.00 0.73 H new ATOM 0 HB2 ALA A 105 16.938 -3.891 -0.724 1.00 0.73 H new ATOM 0 HB3 ALA A 105 17.126 -5.521 -0.035 1.00 0.73 H new ATOM 1526 N ASP A 106 14.994 -7.702 -1.511 1.00 0.69 N ATOM 1527 CA ASP A 106 15.023 -9.138 -1.783 1.00 0.81 C ATOM 1528 C ASP A 106 14.054 -9.518 -2.897 1.00 0.82 C ATOM 1529 O ASP A 106 13.612 -10.667 -2.986 1.00 1.27 O ATOM 1530 CB ASP A 106 14.705 -9.949 -0.521 1.00 1.07 C ATOM 1531 CG ASP A 106 15.870 -10.006 0.446 1.00 1.45 C ATOM 1532 OD1 ASP A 106 17.010 -10.261 0.006 1.00 2.04 O1- ATOM 1533 OD2 ASP A 106 15.655 -9.769 1.653 1.00 1.96 O ATOM 0 H ASP A 106 14.269 -7.411 -0.855 1.00 0.69 H new ATOM 0 HA ASP A 106 16.035 -9.378 -2.109 1.00 0.81 H new ATOM 0 HB2 ASP A 106 13.843 -9.510 -0.019 1.00 1.07 H new ATOM 0 HB3 ASP A 106 14.425 -10.963 -0.807 1.00 1.07 H new ATOM 1538 N GLY A 107 13.727 -8.556 -3.743 1.00 0.61 N ATOM 1539 CA GLY A 107 12.852 -8.820 -4.864 1.00 0.74 C ATOM 1540 C GLY A 107 12.293 -7.546 -5.448 1.00 0.60 C ATOM 1541 O GLY A 107 12.741 -6.454 -5.097 1.00 0.52 O ATOM 0 H GLY A 107 14.054 -7.592 -3.673 1.00 0.61 H new ATOM 0 HA2 GLY A 107 13.400 -9.363 -5.634 1.00 0.74 H new ATOM 0 HA3 GLY A 107 12.033 -9.463 -4.543 1.00 0.74 H new ATOM 1545 N ASP A 108 11.326 -7.679 -6.338 1.00 0.64 N ATOM 1546 CA ASP A 108 10.659 -6.520 -6.907 1.00 0.59 C ATOM 1547 C ASP A 108 9.247 -6.420 -6.360 1.00 0.43 C ATOM 1548 O ASP A 108 8.443 -7.341 -6.506 1.00 0.38 O ATOM 1549 CB ASP A 108 10.630 -6.588 -8.432 1.00 0.73 C ATOM 1550 CG ASP A 108 9.912 -5.402 -9.038 1.00 1.22 C ATOM 1551 OD1 ASP A 108 10.222 -4.258 -8.658 1.00 1.56 O ATOM 1552 OD2 ASP A 108 9.046 -5.598 -9.919 1.00 2.02 O1- ATOM 0 H ASP A 108 10.985 -8.576 -6.683 1.00 0.64 H new ATOM 0 HA ASP A 108 11.221 -5.630 -6.624 1.00 0.59 H new ATOM 0 HB2 ASP A 108 11.651 -6.627 -8.813 1.00 0.73 H new ATOM 0 HB3 ASP A 108 10.137 -7.509 -8.745 1.00 0.73 H new ATOM 1557 N TYR A 109 8.963 -5.319 -5.697 1.00 0.39 N ATOM 1558 CA TYR A 109 7.702 -5.156 -4.995 1.00 0.32 C ATOM 1559 C TYR A 109 6.770 -4.174 -5.696 1.00 0.30 C ATOM 1560 O TYR A 109 7.198 -3.354 -6.514 1.00 0.35 O ATOM 1561 CB TYR A 109 7.970 -4.723 -3.553 1.00 0.35 C ATOM 1562 CG TYR A 109 8.675 -5.794 -2.749 1.00 0.31 C ATOM 1563 CD1 TYR A 109 10.033 -6.019 -2.905 1.00 0.37 C ATOM 1564 CD2 TYR A 109 7.989 -6.557 -1.814 1.00 0.39 C ATOM 1565 CE1 TYR A 109 10.687 -6.974 -2.154 1.00 0.39 C ATOM 1566 CE2 TYR A 109 8.635 -7.515 -1.062 1.00 0.39 C ATOM 1567 CZ TYR A 109 9.953 -7.798 -1.309 1.00 0.34 C ATOM 1568 OH TYR A 109 10.634 -8.673 -0.486 1.00 0.40 O ATOM 0 H TYR A 109 9.591 -4.518 -5.628 1.00 0.39 H new ATOM 0 HA TYR A 109 7.191 -6.119 -4.995 1.00 0.32 H new ATOM 0 HB2 TYR A 109 8.576 -3.817 -3.556 1.00 0.35 H new ATOM 0 HB3 TYR A 109 7.025 -4.473 -3.070 1.00 0.35 H new ATOM 0 HD1 TYR A 109 10.589 -5.438 -3.626 1.00 0.37 H new ATOM 0 HD2 TYR A 109 6.930 -6.397 -1.673 1.00 0.39 H new ATOM 0 HE1 TYR A 109 11.760 -7.080 -2.222 1.00 0.39 H new ATOM 0 HE2 TYR A 109 8.105 -8.040 -0.281 1.00 0.39 H new ATOM 0 HH TYR A 109 11.538 -8.331 -0.321 1.00 0.40 H new ATOM 1578 N LYS A 110 5.490 -4.293 -5.386 1.00 0.28 N ATOM 1579 CA LYS A 110 4.476 -3.360 -5.854 1.00 0.29 C ATOM 1580 C LYS A 110 3.713 -2.808 -4.661 1.00 0.22 C ATOM 1581 O LYS A 110 3.704 -3.421 -3.594 1.00 0.25 O ATOM 1582 CB LYS A 110 3.478 -4.050 -6.796 1.00 0.39 C ATOM 1583 CG LYS A 110 3.996 -4.332 -8.197 1.00 0.62 C ATOM 1584 CD LYS A 110 2.901 -4.967 -9.046 1.00 0.67 C ATOM 1585 CE LYS A 110 3.240 -4.973 -10.532 1.00 1.21 C ATOM 1586 NZ LYS A 110 4.290 -5.968 -10.875 1.00 1.53 N1+ ATOM 0 H LYS A 110 5.122 -5.043 -4.800 1.00 0.28 H new ATOM 0 HA LYS A 110 4.977 -2.559 -6.397 1.00 0.29 H new ATOM 0 HB2 LYS A 110 3.169 -4.993 -6.344 1.00 0.39 H new ATOM 0 HB3 LYS A 110 2.587 -3.427 -6.874 1.00 0.39 H new ATOM 0 HG2 LYS A 110 4.334 -3.405 -8.661 1.00 0.62 H new ATOM 0 HG3 LYS A 110 4.858 -4.997 -8.147 1.00 0.62 H new ATOM 0 HD2 LYS A 110 2.735 -5.991 -8.711 1.00 0.67 H new ATOM 0 HD3 LYS A 110 1.967 -4.426 -8.892 1.00 0.67 H new ATOM 0 HE2 LYS A 110 2.339 -5.189 -11.106 1.00 1.21 H new ATOM 0 HE3 LYS A 110 3.576 -3.979 -10.828 1.00 1.21 H new ATOM 0 HZ1 LYS A 110 4.483 -5.931 -11.896 1.00 1.53 H new ATOM 0 HZ2 LYS A 110 5.161 -5.749 -10.350 1.00 1.53 H new ATOM 0 HZ3 LYS A 110 3.962 -6.921 -10.619 1.00 1.53 H new ATOM 1600 N PHE A 111 3.080 -1.659 -4.835 1.00 0.20 N ATOM 1601 CA PHE A 111 2.166 -1.148 -3.824 1.00 0.19 C ATOM 1602 C PHE A 111 0.806 -0.931 -4.462 1.00 0.17 C ATOM 1603 O PHE A 111 0.725 -0.536 -5.627 1.00 0.21 O ATOM 1604 CB PHE A 111 2.682 0.147 -3.166 1.00 0.22 C ATOM 1605 CG PHE A 111 2.524 1.399 -3.987 1.00 0.20 C ATOM 1606 CD1 PHE A 111 1.374 2.169 -3.885 1.00 0.22 C ATOM 1607 CD2 PHE A 111 3.528 1.815 -4.843 1.00 0.19 C ATOM 1608 CE1 PHE A 111 1.230 3.327 -4.621 1.00 0.23 C ATOM 1609 CE2 PHE A 111 3.388 2.972 -5.583 1.00 0.20 C ATOM 1610 CZ PHE A 111 2.238 3.728 -5.472 1.00 0.21 C ATOM 0 H PHE A 111 3.180 -1.066 -5.659 1.00 0.20 H new ATOM 0 HA PHE A 111 2.088 -1.883 -3.023 1.00 0.19 H new ATOM 0 HB2 PHE A 111 2.160 0.286 -2.219 1.00 0.22 H new ATOM 0 HB3 PHE A 111 3.739 0.018 -2.931 1.00 0.22 H new ATOM 0 HD1 PHE A 111 0.581 1.858 -3.221 1.00 0.22 H new ATOM 0 HD2 PHE A 111 4.430 1.229 -4.933 1.00 0.19 H new ATOM 0 HE1 PHE A 111 0.330 3.918 -4.531 1.00 0.23 H new ATOM 0 HE2 PHE A 111 4.178 3.286 -6.249 1.00 0.20 H new ATOM 0 HZ PHE A 111 2.128 4.633 -6.051 1.00 0.21 H new ATOM 1620 N ALA A 112 -0.253 -1.211 -3.723 1.00 0.14 N ATOM 1621 CA ALA A 112 -1.593 -1.138 -4.283 1.00 0.15 C ATOM 1622 C ALA A 112 -2.662 -1.126 -3.203 1.00 0.15 C ATOM 1623 O ALA A 112 -2.376 -1.332 -2.023 1.00 0.17 O ATOM 1624 CB ALA A 112 -1.824 -2.320 -5.210 1.00 0.19 C ATOM 0 H ALA A 112 -0.214 -1.489 -2.742 1.00 0.14 H new ATOM 0 HA ALA A 112 -1.668 -0.202 -4.837 1.00 0.15 H new ATOM 0 HB1 ALA A 112 -2.829 -2.263 -5.628 1.00 0.19 H new ATOM 0 HB2 ALA A 112 -1.093 -2.297 -6.018 1.00 0.19 H new ATOM 0 HB3 ALA A 112 -1.716 -3.249 -4.649 1.00 0.19 H new ATOM 1630 N CYS A 113 -3.890 -0.878 -3.634 1.00 0.15 N ATOM 1631 CA CYS A 113 -5.056 -0.959 -2.770 1.00 0.14 C ATOM 1632 C CYS A 113 -5.730 -2.310 -2.989 1.00 0.14 C ATOM 1633 O CYS A 113 -6.095 -2.648 -4.117 1.00 0.16 O ATOM 1634 CB CYS A 113 -6.027 0.191 -3.087 1.00 0.14 C ATOM 1635 SG CYS A 113 -7.441 0.312 -1.970 1.00 0.13 S ATOM 0 H CYS A 113 -4.105 -0.614 -4.596 1.00 0.15 H new ATOM 0 HA CYS A 113 -4.756 -0.868 -1.726 1.00 0.14 H new ATOM 0 HB2 CYS A 113 -5.477 1.132 -3.058 1.00 0.14 H new ATOM 0 HB3 CYS A 113 -6.395 0.068 -4.106 1.00 0.14 H new ATOM 1640 N THR A 114 -5.876 -3.093 -1.928 1.00 0.15 N ATOM 1641 CA THR A 114 -6.372 -4.459 -2.062 1.00 0.17 C ATOM 1642 C THR A 114 -7.886 -4.542 -1.882 1.00 0.16 C ATOM 1643 O THR A 114 -8.444 -5.637 -1.759 1.00 0.21 O ATOM 1644 CB THR A 114 -5.684 -5.417 -1.067 1.00 0.21 C ATOM 1645 OG1 THR A 114 -5.861 -4.950 0.278 1.00 0.22 O ATOM 1646 CG2 THR A 114 -4.197 -5.539 -1.376 1.00 0.24 C ATOM 0 H THR A 114 -5.660 -2.810 -0.972 1.00 0.15 H new ATOM 0 HA THR A 114 -6.127 -4.769 -3.078 1.00 0.17 H new ATOM 0 HB THR A 114 -6.145 -6.399 -1.169 1.00 0.21 H new ATOM 0 HG1 THR A 114 -6.194 -5.682 0.837 1.00 0.22 H new ATOM 0 HG21 THR A 114 -3.732 -6.219 -0.662 1.00 0.24 H new ATOM 0 HG22 THR A 114 -4.066 -5.927 -2.386 1.00 0.24 H new ATOM 0 HG23 THR A 114 -3.728 -4.558 -1.301 1.00 0.24 H new ATOM 1654 N PHE A 115 -8.549 -3.393 -1.873 1.00 0.14 N ATOM 1655 CA PHE A 115 -10.004 -3.355 -1.805 1.00 0.17 C ATOM 1656 C PHE A 115 -10.575 -3.990 -3.077 1.00 0.22 C ATOM 1657 O PHE A 115 -10.049 -3.765 -4.167 1.00 0.23 O ATOM 1658 CB PHE A 115 -10.487 -1.903 -1.654 1.00 0.15 C ATOM 1659 CG PHE A 115 -11.952 -1.768 -1.336 1.00 0.17 C ATOM 1660 CD1 PHE A 115 -12.890 -1.713 -2.353 1.00 0.23 C ATOM 1661 CD2 PHE A 115 -12.393 -1.699 -0.023 1.00 0.17 C ATOM 1662 CE1 PHE A 115 -14.236 -1.591 -2.070 1.00 0.26 C ATOM 1663 CE2 PHE A 115 -13.739 -1.577 0.265 1.00 0.20 C ATOM 1664 CZ PHE A 115 -14.655 -1.512 -0.736 1.00 0.24 C ATOM 0 H PHE A 115 -8.103 -2.476 -1.912 1.00 0.14 H new ATOM 0 HA PHE A 115 -10.351 -3.916 -0.937 1.00 0.17 H new ATOM 0 HB2 PHE A 115 -9.910 -1.421 -0.865 1.00 0.15 H new ATOM 0 HB3 PHE A 115 -10.276 -1.364 -2.578 1.00 0.15 H new ATOM 0 HD1 PHE A 115 -12.565 -1.766 -3.381 1.00 0.23 H new ATOM 0 HD2 PHE A 115 -11.676 -1.741 0.784 1.00 0.17 H new ATOM 0 HE1 PHE A 115 -14.960 -1.557 -2.871 1.00 0.26 H new ATOM 0 HE2 PHE A 115 -14.065 -1.533 1.294 1.00 0.20 H new ATOM 0 HZ PHE A 115 -15.704 -1.400 -0.504 1.00 0.24 H new ATOM 1674 N PRO A 116 -11.624 -4.827 -2.956 1.00 0.30 N ATOM 1675 CA PRO A 116 -12.222 -5.514 -4.110 1.00 0.37 C ATOM 1676 C PRO A 116 -12.646 -4.548 -5.208 1.00 0.31 C ATOM 1677 O PRO A 116 -13.495 -3.685 -4.993 1.00 0.30 O ATOM 1678 CB PRO A 116 -13.453 -6.211 -3.524 1.00 0.46 C ATOM 1679 CG PRO A 116 -13.159 -6.354 -2.074 1.00 0.49 C ATOM 1680 CD PRO A 116 -12.307 -5.172 -1.698 1.00 0.37 C ATOM 0 HA PRO A 116 -11.511 -6.194 -4.580 1.00 0.37 H new ATOM 0 HB2 PRO A 116 -14.355 -5.622 -3.688 1.00 0.46 H new ATOM 0 HB3 PRO A 116 -13.617 -7.182 -3.991 1.00 0.46 H new ATOM 0 HG2 PRO A 116 -14.079 -6.371 -1.490 1.00 0.49 H new ATOM 0 HG3 PRO A 116 -12.637 -7.289 -1.873 1.00 0.49 H new ATOM 0 HD2 PRO A 116 -12.911 -4.343 -1.329 1.00 0.37 H new ATOM 0 HD3 PRO A 116 -11.596 -5.424 -0.911 1.00 0.37 H new ATOM 1688 N GLY A 117 -12.046 -4.696 -6.381 1.00 0.34 N ATOM 1689 CA GLY A 117 -12.375 -3.831 -7.499 1.00 0.33 C ATOM 1690 C GLY A 117 -11.524 -2.576 -7.531 1.00 0.33 C ATOM 1691 O GLY A 117 -11.745 -1.688 -8.357 1.00 0.50 O ATOM 0 H GLY A 117 -11.336 -5.401 -6.580 1.00 0.34 H new ATOM 0 HA2 GLY A 117 -12.242 -4.380 -8.431 1.00 0.33 H new ATOM 0 HA3 GLY A 117 -13.427 -3.552 -7.441 1.00 0.33 H new ATOM 1695 N HIS A 118 -10.554 -2.500 -6.629 1.00 0.24 N ATOM 1696 CA HIS A 118 -9.665 -1.343 -6.550 1.00 0.23 C ATOM 1697 C HIS A 118 -8.246 -1.680 -7.013 1.00 0.29 C ATOM 1698 O HIS A 118 -7.479 -0.790 -7.384 1.00 0.38 O ATOM 1699 CB HIS A 118 -9.617 -0.807 -5.114 1.00 0.20 C ATOM 1700 CG HIS A 118 -10.788 0.054 -4.734 1.00 0.16 C ATOM 1701 ND1 HIS A 118 -10.671 1.034 -3.776 1.00 0.18 N ATOM 1702 CD2 HIS A 118 -12.063 0.041 -5.198 1.00 0.19 C ATOM 1703 CE1 HIS A 118 -11.865 1.587 -3.676 1.00 0.20 C ATOM 1704 NE2 HIS A 118 -12.745 1.019 -4.518 1.00 0.18 N ATOM 0 H HIS A 118 -10.361 -3.226 -5.939 1.00 0.24 H new ATOM 0 HA HIS A 118 -10.068 -0.581 -7.217 1.00 0.23 H new ATOM 0 HB2 HIS A 118 -9.563 -1.651 -4.426 1.00 0.20 H new ATOM 0 HB3 HIS A 118 -8.701 -0.231 -4.984 1.00 0.20 H new ATOM 0 HD2 HIS A 118 -12.464 -0.614 -5.957 1.00 0.19 H new ATOM 0 HE1 HIS A 118 -12.105 2.395 -3.001 1.00 0.20 H new ATOM 0 HE2 HIS A 118 -13.728 1.266 -4.630 1.00 0.18 H new ATOM 1712 N GLY A 119 -7.915 -2.964 -7.023 1.00 0.33 N ATOM 1713 CA GLY A 119 -6.540 -3.384 -7.244 1.00 0.42 C ATOM 1714 C GLY A 119 -6.025 -3.131 -8.650 1.00 0.49 C ATOM 1715 O GLY A 119 -4.822 -2.956 -8.845 1.00 0.61 O ATOM 0 H GLY A 119 -8.576 -3.728 -6.882 1.00 0.33 H new ATOM 0 HA2 GLY A 119 -5.896 -2.864 -6.535 1.00 0.42 H new ATOM 0 HA3 GLY A 119 -6.459 -4.449 -7.027 1.00 0.42 H new ATOM 1719 N ALA A 120 -6.916 -3.110 -9.630 1.00 0.53 N ATOM 1720 CA ALA A 120 -6.501 -2.966 -11.021 1.00 0.67 C ATOM 1721 C ALA A 120 -6.195 -1.514 -11.368 1.00 0.64 C ATOM 1722 O ALA A 120 -5.351 -1.235 -12.221 1.00 0.75 O ATOM 1723 CB ALA A 120 -7.564 -3.523 -11.952 1.00 0.83 C ATOM 0 H ALA A 120 -7.923 -3.190 -9.492 1.00 0.53 H new ATOM 0 HA ALA A 120 -5.582 -3.537 -11.153 1.00 0.67 H new ATOM 0 HB1 ALA A 120 -7.239 -3.408 -12.986 1.00 0.83 H new ATOM 0 HB2 ALA A 120 -7.719 -4.580 -11.736 1.00 0.83 H new ATOM 0 HB3 ALA A 120 -8.498 -2.981 -11.803 1.00 0.83 H new ATOM 1729 N LEU A 121 -6.869 -0.590 -10.703 1.00 0.56 N ATOM 1730 CA LEU A 121 -6.673 0.827 -10.967 1.00 0.64 C ATOM 1731 C LEU A 121 -5.683 1.433 -9.977 1.00 0.51 C ATOM 1732 O LEU A 121 -4.846 2.257 -10.343 1.00 0.69 O ATOM 1733 CB LEU A 121 -8.011 1.575 -10.896 1.00 0.82 C ATOM 1734 CG LEU A 121 -7.943 3.069 -11.217 1.00 1.38 C ATOM 1735 CD1 LEU A 121 -7.567 3.292 -12.675 1.00 2.13 C ATOM 1736 CD2 LEU A 121 -9.268 3.742 -10.894 1.00 1.76 C ATOM 0 H LEU A 121 -7.556 -0.795 -9.977 1.00 0.56 H new ATOM 0 HA LEU A 121 -6.263 0.930 -11.972 1.00 0.64 H new ATOM 0 HB2 LEU A 121 -8.709 1.103 -11.587 1.00 0.82 H new ATOM 0 HB3 LEU A 121 -8.423 1.454 -9.894 1.00 0.82 H new ATOM 0 HG LEU A 121 -7.168 3.518 -10.596 1.00 1.38 H new ATOM 0 HD11 LEU A 121 -7.525 4.362 -12.880 1.00 2.13 H new ATOM 0 HD12 LEU A 121 -6.592 2.846 -12.872 1.00 2.13 H new ATOM 0 HD13 LEU A 121 -8.315 2.828 -13.319 1.00 2.13 H new ATOM 0 HD21 LEU A 121 -9.203 4.805 -11.128 1.00 1.76 H new ATOM 0 HD22 LEU A 121 -10.061 3.288 -11.488 1.00 1.76 H new ATOM 0 HD23 LEU A 121 -9.491 3.617 -9.834 1.00 1.76 H new ATOM 1748 N MET A 122 -5.773 1.011 -8.726 1.00 0.34 N ATOM 1749 CA MET A 122 -4.935 1.562 -7.671 1.00 0.22 C ATOM 1750 C MET A 122 -3.732 0.673 -7.401 1.00 0.17 C ATOM 1751 O MET A 122 -3.749 -0.155 -6.492 1.00 0.21 O ATOM 1752 CB MET A 122 -5.747 1.744 -6.390 1.00 0.27 C ATOM 1753 CG MET A 122 -6.525 3.044 -6.339 1.00 0.65 C ATOM 1754 SD MET A 122 -8.056 2.883 -5.408 1.00 0.24 S ATOM 1755 CE MET A 122 -9.055 2.035 -6.622 1.00 0.54 C ATOM 0 H MET A 122 -6.420 0.286 -8.415 1.00 0.34 H new ATOM 0 HA MET A 122 -4.572 2.533 -8.006 1.00 0.22 H new ATOM 0 HB2 MET A 122 -6.443 0.911 -6.290 1.00 0.27 H new ATOM 0 HB3 MET A 122 -5.073 1.701 -5.534 1.00 0.27 H new ATOM 0 HG2 MET A 122 -5.906 3.818 -5.886 1.00 0.65 H new ATOM 0 HG3 MET A 122 -6.752 3.370 -7.354 1.00 0.65 H new ATOM 0 HE1 MET A 122 -10.102 2.071 -6.321 1.00 0.54 H new ATOM 0 HE2 MET A 122 -8.940 2.520 -7.591 1.00 0.54 H new ATOM 0 HE3 MET A 122 -8.734 0.996 -6.696 1.00 0.54 H new ATOM 1765 N ASN A 123 -2.695 0.853 -8.201 1.00 0.20 N ATOM 1766 CA ASN A 123 -1.443 0.131 -8.021 1.00 0.25 C ATOM 1767 C ASN A 123 -0.287 0.949 -8.573 1.00 0.22 C ATOM 1768 O ASN A 123 -0.486 1.836 -9.404 1.00 0.34 O ATOM 1769 CB ASN A 123 -1.483 -1.242 -8.708 1.00 0.44 C ATOM 1770 CG ASN A 123 -1.822 -1.152 -10.182 1.00 0.54 C ATOM 1771 OD1 ASN A 123 -0.945 -0.953 -11.025 1.00 1.13 O ATOM 1772 ND2 ASN A 123 -3.091 -1.326 -10.503 1.00 0.58 N ATOM 0 H ASN A 123 -2.695 1.500 -8.990 1.00 0.20 H new ATOM 0 HA ASN A 123 -1.300 -0.029 -6.952 1.00 0.25 H new ATOM 0 HB2 ASN A 123 -0.515 -1.730 -8.592 1.00 0.44 H new ATOM 0 HB3 ASN A 123 -2.219 -1.872 -8.208 1.00 0.44 H new ATOM 0 HD21 ASN A 123 -3.378 -1.298 -11.481 1.00 0.58 H new ATOM 0 HD22 ASN A 123 -3.784 -1.488 -9.773 1.00 0.58 H new ATOM 1779 N GLY A 124 0.911 0.657 -8.101 1.00 0.19 N ATOM 1780 CA GLY A 124 2.086 1.346 -8.584 1.00 0.21 C ATOM 1781 C GLY A 124 3.368 0.651 -8.177 1.00 0.23 C ATOM 1782 O GLY A 124 3.342 -0.458 -7.634 1.00 0.31 O ATOM 0 H GLY A 124 1.092 -0.049 -7.388 1.00 0.19 H new ATOM 0 HA2 GLY A 124 2.042 1.416 -9.671 1.00 0.21 H new ATOM 0 HA3 GLY A 124 2.090 2.366 -8.199 1.00 0.21 H new ATOM 1786 N LYS A 125 4.489 1.314 -8.415 1.00 0.24 N ATOM 1787 CA LYS A 125 5.796 0.729 -8.175 1.00 0.28 C ATOM 1788 C LYS A 125 6.475 1.357 -6.963 1.00 0.25 C ATOM 1789 O LYS A 125 6.521 2.579 -6.822 1.00 0.26 O ATOM 1790 CB LYS A 125 6.680 0.906 -9.416 1.00 0.40 C ATOM 1791 CG LYS A 125 8.138 0.505 -9.214 1.00 1.21 C ATOM 1792 CD LYS A 125 8.277 -0.942 -8.763 1.00 1.31 C ATOM 1793 CE LYS A 125 7.761 -1.908 -9.811 1.00 1.41 C ATOM 1794 NZ LYS A 125 7.757 -3.304 -9.313 1.00 1.48 N1+ ATOM 0 H LYS A 125 4.517 2.267 -8.778 1.00 0.24 H new ATOM 0 HA LYS A 125 5.657 -0.333 -7.970 1.00 0.28 H new ATOM 0 HB2 LYS A 125 6.263 0.315 -10.231 1.00 0.40 H new ATOM 0 HB3 LYS A 125 6.643 1.950 -9.728 1.00 0.40 H new ATOM 0 HG2 LYS A 125 8.685 0.648 -10.146 1.00 1.21 H new ATOM 0 HG3 LYS A 125 8.594 1.161 -8.473 1.00 1.21 H new ATOM 0 HD2 LYS A 125 9.324 -1.159 -8.553 1.00 1.31 H new ATOM 0 HD3 LYS A 125 7.728 -1.087 -7.832 1.00 1.31 H new ATOM 0 HE2 LYS A 125 6.750 -1.623 -10.103 1.00 1.41 H new ATOM 0 HE3 LYS A 125 8.382 -1.842 -10.704 1.00 1.41 H new ATOM 0 HZ1 LYS A 125 7.869 -3.958 -10.114 1.00 1.48 H new ATOM 0 HZ2 LYS A 125 8.543 -3.437 -8.645 1.00 1.48 H new ATOM 0 HZ3 LYS A 125 6.856 -3.498 -8.830 1.00 1.48 H new ATOM 1808 N VAL A 126 6.991 0.512 -6.088 1.00 0.25 N ATOM 1809 CA VAL A 126 7.851 0.963 -5.015 1.00 0.25 C ATOM 1810 C VAL A 126 9.302 0.677 -5.402 1.00 0.30 C ATOM 1811 O VAL A 126 9.679 -0.468 -5.661 1.00 0.45 O ATOM 1812 CB VAL A 126 7.485 0.307 -3.661 1.00 0.42 C ATOM 1813 CG1 VAL A 126 7.491 -1.211 -3.753 1.00 1.10 C ATOM 1814 CG2 VAL A 126 8.419 0.782 -2.562 1.00 1.11 C ATOM 0 H VAL A 126 6.827 -0.495 -6.102 1.00 0.25 H new ATOM 0 HA VAL A 126 7.713 2.035 -4.875 1.00 0.25 H new ATOM 0 HB VAL A 126 6.471 0.617 -3.411 1.00 0.42 H new ATOM 0 HG11 VAL A 126 7.230 -1.635 -2.784 1.00 1.10 H new ATOM 0 HG12 VAL A 126 6.764 -1.533 -4.498 1.00 1.10 H new ATOM 0 HG13 VAL A 126 8.484 -1.554 -4.043 1.00 1.10 H new ATOM 0 HG21 VAL A 126 8.143 0.308 -1.620 1.00 1.11 H new ATOM 0 HG22 VAL A 126 9.445 0.515 -2.816 1.00 1.11 H new ATOM 0 HG23 VAL A 126 8.340 1.864 -2.460 1.00 1.11 H new ATOM 1824 N THR A 127 10.095 1.729 -5.486 1.00 0.35 N ATOM 1825 CA THR A 127 11.433 1.637 -6.038 1.00 0.54 C ATOM 1826 C THR A 127 12.496 1.776 -4.950 1.00 0.45 C ATOM 1827 O THR A 127 12.366 2.599 -4.047 1.00 0.37 O ATOM 1828 CB THR A 127 11.640 2.733 -7.104 1.00 0.76 C ATOM 1829 OG1 THR A 127 10.567 2.692 -8.060 1.00 0.86 O ATOM 1830 CG2 THR A 127 12.967 2.554 -7.827 1.00 0.97 C ATOM 0 H THR A 127 9.832 2.665 -5.176 1.00 0.35 H new ATOM 0 HA THR A 127 11.538 0.653 -6.495 1.00 0.54 H new ATOM 0 HB THR A 127 11.650 3.698 -6.598 1.00 0.76 H new ATOM 0 HG1 THR A 127 10.102 3.555 -8.067 1.00 0.86 H new ATOM 0 HG21 THR A 127 13.085 3.341 -8.572 1.00 0.97 H new ATOM 0 HG22 THR A 127 13.784 2.610 -7.108 1.00 0.97 H new ATOM 0 HG23 THR A 127 12.984 1.582 -8.320 1.00 0.97 H new ATOM 1838 N LEU A 128 13.536 0.957 -5.040 1.00 0.52 N ATOM 1839 CA LEU A 128 14.659 1.027 -4.111 1.00 0.49 C ATOM 1840 C LEU A 128 15.709 1.995 -4.636 1.00 0.50 C ATOM 1841 O LEU A 128 16.260 1.796 -5.718 1.00 0.59 O ATOM 1842 CB LEU A 128 15.298 -0.358 -3.913 1.00 0.59 C ATOM 1843 CG LEU A 128 14.633 -1.283 -2.880 1.00 0.73 C ATOM 1844 CD1 LEU A 128 14.782 -0.723 -1.473 1.00 0.78 C ATOM 1845 CD2 LEU A 128 13.164 -1.510 -3.206 1.00 1.44 C ATOM 0 H LEU A 128 13.626 0.232 -5.751 1.00 0.52 H new ATOM 0 HA LEU A 128 14.281 1.378 -3.151 1.00 0.49 H new ATOM 0 HB2 LEU A 128 15.304 -0.871 -4.875 1.00 0.59 H new ATOM 0 HB3 LEU A 128 16.338 -0.214 -3.622 1.00 0.59 H new ATOM 0 HG LEU A 128 15.143 -2.245 -2.925 1.00 0.73 H new ATOM 0 HD11 LEU A 128 14.303 -1.396 -0.761 1.00 0.78 H new ATOM 0 HD12 LEU A 128 15.840 -0.629 -1.229 1.00 0.78 H new ATOM 0 HD13 LEU A 128 14.309 0.258 -1.420 1.00 0.78 H new ATOM 0 HD21 LEU A 128 12.723 -2.168 -2.457 1.00 1.44 H new ATOM 0 HD22 LEU A 128 12.639 -0.555 -3.204 1.00 1.44 H new ATOM 0 HD23 LEU A 128 13.077 -1.970 -4.190 1.00 1.44 H new ATOM 1857 N VAL A 129 15.975 3.046 -3.880 1.00 0.46 N ATOM 1858 CA VAL A 129 16.970 4.031 -4.275 1.00 0.51 C ATOM 1859 C VAL A 129 18.059 4.136 -3.217 1.00 0.50 C ATOM 1860 O VAL A 129 17.861 3.743 -2.068 1.00 0.50 O ATOM 1861 CB VAL A 129 16.346 5.424 -4.511 1.00 0.54 C ATOM 1862 CG1 VAL A 129 15.292 5.362 -5.606 1.00 0.60 C ATOM 1863 CG2 VAL A 129 15.753 5.981 -3.227 1.00 0.50 C ATOM 0 H VAL A 129 15.517 3.240 -2.990 1.00 0.46 H new ATOM 0 HA VAL A 129 17.401 3.691 -5.217 1.00 0.51 H new ATOM 0 HB VAL A 129 17.139 6.097 -4.835 1.00 0.54 H new ATOM 0 HG11 VAL A 129 14.865 6.353 -5.756 1.00 0.60 H new ATOM 0 HG12 VAL A 129 15.751 5.020 -6.534 1.00 0.60 H new ATOM 0 HG13 VAL A 129 14.504 4.668 -5.314 1.00 0.60 H new ATOM 0 HG21 VAL A 129 15.321 6.962 -3.422 1.00 0.50 H new ATOM 0 HG22 VAL A 129 14.977 5.308 -2.863 1.00 0.50 H new ATOM 0 HG23 VAL A 129 16.536 6.073 -2.474 1.00 0.50 H new ATOM 1873 N ASP A 130 19.209 4.655 -3.611 1.00 0.55 N ATOM 1874 CA ASP A 130 20.341 4.791 -2.700 1.00 0.62 C ATOM 1875 C ASP A 130 20.467 6.230 -2.212 1.00 1.17 C ATOM 1876 O ASP A 130 19.854 7.140 -2.777 1.00 2.01 O ATOM 1877 CB ASP A 130 21.644 4.359 -3.385 1.00 0.98 C ATOM 1878 CG ASP A 130 22.062 5.295 -4.504 1.00 1.49 C ATOM 1879 OD1 ASP A 130 21.600 5.104 -5.648 1.00 2.25 O ATOM 1880 OD2 ASP A 130 22.858 6.222 -4.247 1.00 1.87 O1- ATOM 0 H ASP A 130 19.387 4.991 -4.557 1.00 0.55 H new ATOM 0 HA ASP A 130 20.163 4.141 -1.843 1.00 0.62 H new ATOM 0 HB2 ASP A 130 22.440 4.311 -2.642 1.00 0.98 H new ATOM 0 HB3 ASP A 130 21.521 3.353 -3.786 1.00 0.98 H new TER 1885 ASP A 130 HETATM 1886 CU CU1 A 201 -9.011 1.607 -2.691 1.00 0.14 CU