USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 686 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 Single : A 1 GLU N :NH3+ 153:sc= 0.00228 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= -0.0546 USER MOD Single : A 8 ASN : amide:sc= 0.00411 X(o=0.0041,f=0) USER MOD Single : A 9 ASN : amide:sc= 0.674 K(o=0.67,f=0) USER MOD Single : A 12 SER OG : rot 74:sc= 1.23 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 LYS NZ :NH3+ 166:sc= -0.0371 (180deg=-0.253) USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 19 THR OG1 : rot 86:sc= 0.341 USER MOD Single : A 24 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 28 TYR OH : rot 180:sc= -0.0221 USER MOD Single : A 30 SER OG : rot 75:sc= 0.709 USER MOD Single : A 36 HIS : no HE2:sc= -0.356 K(o=-0.36,f=-1) USER MOD Single : A 37 THR OG1 : rot 84:sc= 0.428 USER MOD Single : A 38 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -0.922 X(o=-0.92,f=-0.62) USER MOD Single : A 40 LYS NZ :NH3+ -158:sc= -0.18 (180deg=-0.68) USER MOD Single : A 42 GLN : amide:sc= 0.434 K(o=0.43,f=-0.42) USER MOD Single : A 44 HIS : no HD1:sc=-0.00594 X(o=-0.0059,f=0) USER MOD Single : A 45 THR OG1 : rot 26:sc= 0.894 USER MOD Single : A 46 LYS NZ :NH3+ 167:sc= 1.38 (180deg=0.992) USER MOD Single : A 53 MET CE :methyl -141:sc= -7.93! (180deg=-12.8!) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 87:sc= 1.28 USER MOD Single : A 64 ASN : amide:sc= 0.00827 X(o=0.0083,f=0) USER MOD Single : A 69 GLN : amide:sc= -0.0182 K(o=-0.018,f=-0.53) USER MOD Single : A 74 SER OG : rot 70:sc= 0.771 USER MOD Single : A 78 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 84 LYS NZ :NH3+ 160:sc= 1.22 (180deg=0.932) USER MOD ----------------------------------------------------------------- ATOM 1 N GLU A 1 21.771 -16.240 3.657 1.00 64.13 N ATOM 2 CA GLU A 1 20.810 -15.181 3.889 1.00 31.32 C ATOM 3 C GLU A 1 19.822 -15.119 2.720 1.00 62.13 C ATOM 4 O GLU A 1 20.236 -15.107 1.552 1.00 22.22 O ATOM 5 CB GLU A 1 21.554 -13.854 4.076 1.00 71.25 C ATOM 6 CG GLU A 1 20.673 -12.653 4.346 1.00 61.04 C ATOM 7 CD GLU A 1 21.479 -11.444 4.738 1.00 43.12 C ATOM 8 OE1 GLU A 1 22.038 -10.761 3.853 1.00 71.42 O ATOM 9 OE2 GLU A 1 21.582 -11.158 5.953 1.00 71.35 O ATOM 0 H1 GLU A 1 22.660 -16.016 4.149 1.00 64.13 H new ATOM 0 H2 GLU A 1 21.392 -17.138 4.019 1.00 64.13 H new ATOM 0 H3 GLU A 1 21.952 -16.327 2.637 1.00 64.13 H new ATOM 0 HA GLU A 1 20.240 -15.379 4.796 1.00 31.32 H new ATOM 0 HB2 GLU A 1 22.256 -13.963 4.903 1.00 71.25 H new ATOM 0 HB3 GLU A 1 22.144 -13.658 3.181 1.00 71.25 H new ATOM 0 HG2 GLU A 1 20.086 -12.425 3.456 1.00 61.04 H new ATOM 0 HG3 GLU A 1 19.967 -12.892 5.141 1.00 61.04 H new ATOM 16 N SER A 2 18.540 -15.139 3.022 1.00 30.22 N ATOM 17 CA SER A 2 17.520 -15.089 2.000 1.00 12.24 C ATOM 18 C SER A 2 17.203 -13.632 1.679 1.00 53.22 C ATOM 19 O SER A 2 16.921 -13.283 0.516 1.00 21.13 O ATOM 20 CB SER A 2 16.258 -15.849 2.462 1.00 33.12 C ATOM 21 OG SER A 2 15.278 -15.941 1.422 1.00 14.21 O ATOM 0 H SER A 2 18.180 -15.190 3.975 1.00 30.22 H new ATOM 0 HA SER A 2 17.883 -15.576 1.095 1.00 12.24 H new ATOM 0 HB2 SER A 2 16.537 -16.851 2.787 1.00 33.12 H new ATOM 0 HB3 SER A 2 15.825 -15.343 3.325 1.00 33.12 H new ATOM 0 HG SER A 2 14.495 -16.430 1.752 1.00 14.21 H new ATOM 27 N ASP A 3 17.269 -12.794 2.716 1.00 23.42 N ATOM 28 CA ASP A 3 17.043 -11.347 2.625 1.00 11.44 C ATOM 29 C ASP A 3 15.584 -11.082 2.171 1.00 33.05 C ATOM 30 O ASP A 3 14.715 -11.971 2.269 1.00 0.32 O ATOM 31 CB ASP A 3 18.079 -10.714 1.648 1.00 71.04 C ATOM 32 CG ASP A 3 18.239 -9.211 1.789 1.00 42.20 C ATOM 33 OD1 ASP A 3 17.460 -8.447 1.190 1.00 51.01 O ATOM 34 OD2 ASP A 3 19.165 -8.770 2.468 1.00 51.40 O ATOM 0 H ASP A 3 17.485 -13.107 3.662 1.00 23.42 H new ATOM 0 HA ASP A 3 17.182 -10.882 3.601 1.00 11.44 H new ATOM 0 HB2 ASP A 3 19.048 -11.187 1.809 1.00 71.04 H new ATOM 0 HB3 ASP A 3 17.780 -10.941 0.625 1.00 71.04 H new ATOM 39 N SER A 4 15.311 -9.891 1.737 1.00 33.15 N ATOM 40 CA SER A 4 14.041 -9.473 1.216 1.00 40.11 C ATOM 41 C SER A 4 14.333 -8.285 0.319 1.00 45.04 C ATOM 42 O SER A 4 14.164 -7.129 0.706 1.00 31.41 O ATOM 43 CB SER A 4 13.079 -9.073 2.340 1.00 74.32 C ATOM 44 OG SER A 4 12.958 -10.101 3.321 1.00 63.20 O ATOM 0 H SER A 4 16.004 -9.142 1.735 1.00 33.15 H new ATOM 0 HA SER A 4 13.557 -10.284 0.672 1.00 40.11 H new ATOM 0 HB2 SER A 4 13.433 -8.158 2.814 1.00 74.32 H new ATOM 0 HB3 SER A 4 12.098 -8.855 1.919 1.00 74.32 H new ATOM 0 HG SER A 4 12.339 -9.812 4.023 1.00 63.20 H new ATOM 50 N VAL A 5 14.846 -8.583 -0.849 1.00 50.21 N ATOM 51 CA VAL A 5 15.359 -7.592 -1.756 1.00 52.14 C ATOM 52 C VAL A 5 14.281 -6.642 -2.240 1.00 74.34 C ATOM 53 O VAL A 5 14.434 -5.408 -2.154 1.00 74.11 O ATOM 54 CB VAL A 5 16.032 -8.248 -2.971 1.00 74.42 C ATOM 55 CG1 VAL A 5 16.649 -7.187 -3.837 1.00 45.00 C ATOM 56 CG2 VAL A 5 17.071 -9.267 -2.539 1.00 2.33 C ATOM 0 H VAL A 5 14.919 -9.538 -1.200 1.00 50.21 H new ATOM 0 HA VAL A 5 16.096 -7.018 -1.194 1.00 52.14 H new ATOM 0 HB VAL A 5 15.275 -8.781 -3.546 1.00 74.42 H new ATOM 0 HG11 VAL A 5 17.126 -7.653 -4.699 1.00 45.00 H new ATOM 0 HG12 VAL A 5 15.875 -6.500 -4.178 1.00 45.00 H new ATOM 0 HG13 VAL A 5 17.394 -6.637 -3.263 1.00 45.00 H new ATOM 0 HG21 VAL A 5 17.530 -9.715 -3.420 1.00 2.33 H new ATOM 0 HG22 VAL A 5 17.838 -8.774 -1.941 1.00 2.33 H new ATOM 0 HG23 VAL A 5 16.592 -10.045 -1.945 1.00 2.33 H new ATOM 66 N GLU A 6 13.192 -7.192 -2.703 1.00 34.45 N ATOM 67 CA GLU A 6 12.135 -6.384 -3.270 1.00 14.52 C ATOM 68 C GLU A 6 11.422 -5.617 -2.212 1.00 73.41 C ATOM 69 O GLU A 6 11.005 -4.483 -2.433 1.00 32.13 O ATOM 70 CB GLU A 6 11.188 -7.221 -4.085 1.00 22.14 C ATOM 71 CG GLU A 6 11.886 -7.890 -5.233 1.00 34.33 C ATOM 72 CD GLU A 6 12.713 -6.902 -6.016 1.00 25.00 C ATOM 73 OE1 GLU A 6 12.146 -5.913 -6.526 1.00 52.41 O ATOM 74 OE2 GLU A 6 13.948 -7.058 -6.068 1.00 10.52 O ATOM 0 H GLU A 6 13.009 -8.195 -2.701 1.00 34.45 H new ATOM 0 HA GLU A 6 12.591 -5.661 -3.946 1.00 14.52 H new ATOM 0 HB2 GLU A 6 10.730 -7.977 -3.447 1.00 22.14 H new ATOM 0 HB3 GLU A 6 10.382 -6.593 -4.465 1.00 22.14 H new ATOM 0 HG2 GLU A 6 12.526 -8.688 -4.858 1.00 34.33 H new ATOM 0 HG3 GLU A 6 11.150 -8.354 -5.890 1.00 34.33 H new ATOM 81 N PHE A 7 11.334 -6.224 -1.066 1.00 42.44 N ATOM 82 CA PHE A 7 10.787 -5.626 0.106 1.00 74.23 C ATOM 83 C PHE A 7 11.629 -4.440 0.477 1.00 1.14 C ATOM 84 O PHE A 7 11.112 -3.400 0.684 1.00 53.13 O ATOM 85 CB PHE A 7 10.772 -6.674 1.199 1.00 30.30 C ATOM 86 CG PHE A 7 10.336 -6.247 2.559 1.00 20.53 C ATOM 87 CD1 PHE A 7 9.000 -6.145 2.869 1.00 10.55 C ATOM 88 CD2 PHE A 7 11.274 -5.987 3.538 1.00 22.42 C ATOM 89 CE1 PHE A 7 8.601 -5.780 4.137 1.00 23.00 C ATOM 90 CE2 PHE A 7 10.888 -5.626 4.808 1.00 3.04 C ATOM 91 CZ PHE A 7 9.546 -5.520 5.109 1.00 44.00 C ATOM 0 H PHE A 7 11.653 -7.182 -0.921 1.00 42.44 H new ATOM 0 HA PHE A 7 9.767 -5.275 -0.054 1.00 74.23 H new ATOM 0 HB2 PHE A 7 10.120 -7.486 0.877 1.00 30.30 H new ATOM 0 HB3 PHE A 7 11.777 -7.086 1.283 1.00 30.30 H new ATOM 0 HD1 PHE A 7 8.257 -6.353 2.113 1.00 10.55 H new ATOM 0 HD2 PHE A 7 12.325 -6.068 3.304 1.00 22.42 H new ATOM 0 HE1 PHE A 7 7.550 -5.698 4.370 1.00 23.00 H new ATOM 0 HE2 PHE A 7 11.632 -5.427 5.565 1.00 3.04 H new ATOM 0 HZ PHE A 7 9.235 -5.234 6.103 1.00 44.00 H new ATOM 101 N ASN A 8 12.945 -4.586 0.449 1.00 43.35 N ATOM 102 CA ASN A 8 13.848 -3.524 0.793 1.00 41.44 C ATOM 103 C ASN A 8 13.740 -2.360 -0.208 1.00 52.23 C ATOM 104 O ASN A 8 13.792 -1.185 0.180 1.00 74.14 O ATOM 105 CB ASN A 8 15.262 -4.104 0.897 1.00 23.42 C ATOM 106 CG ASN A 8 16.322 -3.179 0.431 1.00 34.52 C ATOM 107 OD1 ASN A 8 16.841 -2.356 1.178 1.00 3.55 O ATOM 108 ND2 ASN A 8 16.668 -3.335 -0.803 1.00 30.12 N ATOM 0 H ASN A 8 13.409 -5.455 0.184 1.00 43.35 H new ATOM 0 HA ASN A 8 13.584 -3.098 1.761 1.00 41.44 H new ATOM 0 HB2 ASN A 8 15.459 -4.374 1.934 1.00 23.42 H new ATOM 0 HB3 ASN A 8 15.312 -5.023 0.313 1.00 23.42 H new ATOM 0 HD21 ASN A 8 17.408 -2.757 -1.202 1.00 30.12 H new ATOM 0 HD22 ASN A 8 16.201 -4.036 -1.379 1.00 30.12 H new ATOM 115 N ASN A 9 13.542 -2.681 -1.481 1.00 64.42 N ATOM 116 CA ASN A 9 13.328 -1.643 -2.497 1.00 23.51 C ATOM 117 C ASN A 9 11.997 -0.962 -2.254 1.00 11.15 C ATOM 118 O ASN A 9 11.863 0.253 -2.405 1.00 13.01 O ATOM 119 CB ASN A 9 13.401 -2.187 -3.934 1.00 31.11 C ATOM 120 CG ASN A 9 14.826 -2.483 -4.410 1.00 61.43 C ATOM 121 OD1 ASN A 9 15.516 -1.606 -4.946 1.00 23.42 O ATOM 122 ND2 ASN A 9 15.271 -3.700 -4.247 1.00 32.30 N ATOM 0 H ASN A 9 13.524 -3.637 -1.837 1.00 64.42 H new ATOM 0 HA ASN A 9 14.138 -0.921 -2.400 1.00 23.51 H new ATOM 0 HB2 ASN A 9 12.809 -3.100 -3.997 1.00 31.11 H new ATOM 0 HB3 ASN A 9 12.945 -1.464 -4.610 1.00 31.11 H new ATOM 0 HD21 ASN A 9 16.208 -3.947 -4.565 1.00 32.30 H new ATOM 0 HD22 ASN A 9 14.681 -4.403 -3.802 1.00 32.30 H new ATOM 129 N ALA A 10 11.031 -1.748 -1.824 1.00 43.23 N ATOM 130 CA ALA A 10 9.721 -1.258 -1.468 1.00 61.11 C ATOM 131 C ALA A 10 9.807 -0.388 -0.205 1.00 72.34 C ATOM 132 O ALA A 10 9.164 0.644 -0.122 1.00 23.45 O ATOM 133 CB ALA A 10 8.759 -2.431 -1.274 1.00 24.32 C ATOM 0 H ALA A 10 11.138 -2.756 -1.712 1.00 43.23 H new ATOM 0 HA ALA A 10 9.336 -0.636 -2.276 1.00 61.11 H new ATOM 0 HB1 ALA A 10 7.773 -2.052 -1.006 1.00 24.32 H new ATOM 0 HB2 ALA A 10 8.689 -3.001 -2.200 1.00 24.32 H new ATOM 0 HB3 ALA A 10 9.129 -3.077 -0.478 1.00 24.32 H new ATOM 139 N ILE A 11 10.646 -0.797 0.758 1.00 3.32 N ATOM 140 CA ILE A 11 10.853 -0.037 1.996 1.00 5.43 C ATOM 141 C ILE A 11 11.470 1.299 1.669 1.00 32.41 C ATOM 142 O ILE A 11 11.166 2.301 2.289 1.00 54.21 O ATOM 143 CB ILE A 11 11.784 -0.748 3.014 1.00 35.10 C ATOM 144 CG1 ILE A 11 11.326 -2.168 3.297 1.00 64.21 C ATOM 145 CG2 ILE A 11 11.860 0.037 4.318 1.00 42.30 C ATOM 146 CD1 ILE A 11 9.845 -2.356 3.532 1.00 12.42 C ATOM 0 H ILE A 11 11.194 -1.655 0.701 1.00 3.32 H new ATOM 0 HA ILE A 11 9.869 0.065 2.455 1.00 5.43 H new ATOM 0 HB ILE A 11 12.776 -0.792 2.564 1.00 35.10 H new ATOM 0 HG12 ILE A 11 11.623 -2.797 2.458 1.00 64.21 H new ATOM 0 HG13 ILE A 11 11.861 -2.533 4.174 1.00 64.21 H new ATOM 0 HG21 ILE A 11 12.518 -0.480 5.016 1.00 42.30 H new ATOM 0 HG22 ILE A 11 12.253 1.034 4.120 1.00 42.30 H new ATOM 0 HG23 ILE A 11 10.863 0.119 4.752 1.00 42.30 H new ATOM 0 HD11 ILE A 11 9.638 -3.409 3.723 1.00 12.42 H new ATOM 0 HD12 ILE A 11 9.535 -1.763 4.392 1.00 12.42 H new ATOM 0 HD13 ILE A 11 9.293 -2.032 2.650 1.00 12.42 H new ATOM 158 N SER A 12 12.325 1.301 0.665 1.00 75.42 N ATOM 159 CA SER A 12 12.961 2.513 0.205 1.00 24.23 C ATOM 160 C SER A 12 11.891 3.495 -0.305 1.00 72.24 C ATOM 161 O SER A 12 11.952 4.698 -0.031 1.00 54.32 O ATOM 162 CB SER A 12 13.982 2.178 -0.874 1.00 74.12 C ATOM 163 OG SER A 12 14.942 1.219 -0.386 1.00 52.44 O ATOM 0 H SER A 12 12.596 0.464 0.149 1.00 75.42 H new ATOM 0 HA SER A 12 13.491 2.993 1.027 1.00 24.23 H new ATOM 0 HB2 SER A 12 13.474 1.777 -1.751 1.00 74.12 H new ATOM 0 HB3 SER A 12 14.496 3.086 -1.190 1.00 74.12 H new ATOM 0 HG SER A 12 14.522 0.335 -0.330 1.00 52.44 H new ATOM 169 N TYR A 13 10.887 2.962 -0.994 1.00 43.24 N ATOM 170 CA TYR A 13 9.751 3.758 -1.428 1.00 71.04 C ATOM 171 C TYR A 13 8.906 4.194 -0.243 1.00 21.21 C ATOM 172 O TYR A 13 8.417 5.311 -0.213 1.00 21.41 O ATOM 173 CB TYR A 13 8.901 3.020 -2.460 1.00 60.03 C ATOM 174 CG TYR A 13 9.406 3.149 -3.878 1.00 35.25 C ATOM 175 CD1 TYR A 13 10.573 2.540 -4.294 1.00 73.41 C ATOM 176 CD2 TYR A 13 8.700 3.905 -4.793 1.00 64.24 C ATOM 177 CE1 TYR A 13 11.023 2.681 -5.590 1.00 74.43 C ATOM 178 CE2 TYR A 13 9.130 4.058 -6.091 1.00 51.30 C ATOM 179 CZ TYR A 13 10.305 3.439 -6.487 1.00 61.25 C ATOM 180 OH TYR A 13 10.761 3.564 -7.780 1.00 52.12 O ATOM 0 H TYR A 13 10.840 1.979 -1.263 1.00 43.24 H new ATOM 0 HA TYR A 13 10.148 4.651 -1.911 1.00 71.04 H new ATOM 0 HB2 TYR A 13 8.861 1.964 -2.194 1.00 60.03 H new ATOM 0 HB3 TYR A 13 7.880 3.399 -2.413 1.00 60.03 H new ATOM 0 HD1 TYR A 13 11.142 1.945 -3.595 1.00 73.41 H new ATOM 0 HD2 TYR A 13 7.786 4.389 -4.481 1.00 64.24 H new ATOM 0 HE1 TYR A 13 11.937 2.197 -5.901 1.00 74.43 H new ATOM 0 HE2 TYR A 13 8.560 4.652 -6.791 1.00 51.30 H new ATOM 0 HH TYR A 13 10.145 4.129 -8.291 1.00 52.12 H new ATOM 190 N VAL A 14 8.752 3.313 0.735 1.00 54.24 N ATOM 191 CA VAL A 14 8.019 3.640 1.951 1.00 45.13 C ATOM 192 C VAL A 14 8.715 4.767 2.702 1.00 51.51 C ATOM 193 O VAL A 14 8.087 5.740 3.069 1.00 64.21 O ATOM 194 CB VAL A 14 7.835 2.419 2.895 1.00 13.24 C ATOM 195 CG1 VAL A 14 7.137 2.841 4.182 1.00 43.40 C ATOM 196 CG2 VAL A 14 7.038 1.320 2.208 1.00 32.41 C ATOM 0 H VAL A 14 9.125 2.364 0.711 1.00 54.24 H new ATOM 0 HA VAL A 14 7.025 3.959 1.637 1.00 45.13 H new ATOM 0 HB VAL A 14 8.823 2.030 3.140 1.00 13.24 H new ATOM 0 HG11 VAL A 14 7.016 1.974 4.831 1.00 43.40 H new ATOM 0 HG12 VAL A 14 7.737 3.595 4.691 1.00 43.40 H new ATOM 0 HG13 VAL A 14 6.157 3.256 3.945 1.00 43.40 H new ATOM 0 HG21 VAL A 14 6.922 0.476 2.888 1.00 32.41 H new ATOM 0 HG22 VAL A 14 6.055 1.702 1.932 1.00 32.41 H new ATOM 0 HG23 VAL A 14 7.565 0.994 1.311 1.00 32.41 H new ATOM 206 N ASN A 15 10.017 4.632 2.903 1.00 73.00 N ATOM 207 CA ASN A 15 10.835 5.636 3.564 1.00 51.22 C ATOM 208 C ASN A 15 10.737 6.976 2.832 1.00 41.24 C ATOM 209 O ASN A 15 10.746 8.059 3.450 1.00 2.22 O ATOM 210 CB ASN A 15 12.272 5.171 3.570 1.00 44.24 C ATOM 211 CG ASN A 15 13.123 5.958 4.514 1.00 63.02 C ATOM 212 OD1 ASN A 15 13.711 6.975 4.155 1.00 13.03 O ATOM 213 ND2 ASN A 15 13.210 5.490 5.716 1.00 60.13 N ATOM 0 H ASN A 15 10.542 3.809 2.607 1.00 73.00 H new ATOM 0 HA ASN A 15 10.478 5.771 4.585 1.00 51.22 H new ATOM 0 HB2 ASN A 15 12.309 4.117 3.845 1.00 44.24 H new ATOM 0 HB3 ASN A 15 12.681 5.252 2.563 1.00 44.24 H new ATOM 0 HD21 ASN A 15 13.784 5.969 6.409 1.00 60.13 H new ATOM 0 HD22 ASN A 15 12.704 4.642 5.971 1.00 60.13 H new ATOM 220 N LYS A 16 10.629 6.889 1.522 1.00 3.23 N ATOM 221 CA LYS A 16 10.446 8.033 0.676 1.00 41.05 C ATOM 222 C LYS A 16 9.105 8.697 1.009 1.00 4.42 C ATOM 223 O LYS A 16 9.032 9.918 1.148 1.00 30.04 O ATOM 224 CB LYS A 16 10.489 7.579 -0.771 1.00 74.23 C ATOM 225 CG LYS A 16 10.381 8.652 -1.787 1.00 5.21 C ATOM 226 CD LYS A 16 10.449 8.028 -3.149 1.00 52.52 C ATOM 227 CE LYS A 16 10.397 9.066 -4.224 1.00 5.42 C ATOM 228 NZ LYS A 16 11.573 9.958 -4.196 1.00 23.23 N ATOM 0 H LYS A 16 10.667 6.005 1.015 1.00 3.23 H new ATOM 0 HA LYS A 16 11.238 8.764 0.838 1.00 41.05 H new ATOM 0 HB2 LYS A 16 11.423 7.041 -0.936 1.00 74.23 H new ATOM 0 HB3 LYS A 16 9.679 6.868 -0.933 1.00 74.23 H new ATOM 0 HG2 LYS A 16 9.444 9.195 -1.666 1.00 5.21 H new ATOM 0 HG3 LYS A 16 11.187 9.375 -1.661 1.00 5.21 H new ATOM 0 HD2 LYS A 16 11.369 7.451 -3.242 1.00 52.52 H new ATOM 0 HD3 LYS A 16 9.621 7.330 -3.274 1.00 52.52 H new ATOM 0 HE2 LYS A 16 10.337 8.577 -5.196 1.00 5.42 H new ATOM 0 HE3 LYS A 16 9.490 9.660 -4.110 1.00 5.42 H new ATOM 0 HZ1 LYS A 16 11.619 10.500 -5.083 1.00 23.23 H new ATOM 0 HZ2 LYS A 16 11.492 10.614 -3.393 1.00 23.23 H new ATOM 0 HZ3 LYS A 16 12.438 9.389 -4.093 1.00 23.23 H new ATOM 242 N ILE A 17 8.063 7.878 1.176 1.00 45.41 N ATOM 243 CA ILE A 17 6.749 8.336 1.580 1.00 71.43 C ATOM 244 C ILE A 17 6.850 9.033 2.930 1.00 31.05 C ATOM 245 O ILE A 17 6.381 10.163 3.086 1.00 62.50 O ATOM 246 CB ILE A 17 5.762 7.148 1.730 1.00 44.32 C ATOM 247 CG1 ILE A 17 5.590 6.401 0.411 1.00 55.45 C ATOM 248 CG2 ILE A 17 4.430 7.637 2.243 1.00 14.41 C ATOM 249 CD1 ILE A 17 4.687 5.181 0.494 1.00 33.45 C ATOM 0 H ILE A 17 8.118 6.870 1.031 1.00 45.41 H new ATOM 0 HA ILE A 17 6.381 9.016 0.812 1.00 71.43 H new ATOM 0 HB ILE A 17 6.181 6.449 2.454 1.00 44.32 H new ATOM 0 HG12 ILE A 17 5.185 7.088 -0.332 1.00 55.45 H new ATOM 0 HG13 ILE A 17 6.571 6.088 0.054 1.00 55.45 H new ATOM 0 HG21 ILE A 17 3.747 6.794 2.344 1.00 14.41 H new ATOM 0 HG22 ILE A 17 4.566 8.111 3.215 1.00 14.41 H new ATOM 0 HG23 ILE A 17 4.013 8.360 1.542 1.00 14.41 H new ATOM 0 HD11 ILE A 17 4.620 4.710 -0.487 1.00 33.45 H new ATOM 0 HD12 ILE A 17 5.100 4.471 1.210 1.00 33.45 H new ATOM 0 HD13 ILE A 17 3.692 5.486 0.818 1.00 33.45 H new ATOM 261 N LYS A 18 7.505 8.351 3.882 1.00 20.01 N ATOM 262 CA LYS A 18 7.684 8.836 5.243 1.00 25.31 C ATOM 263 C LYS A 18 8.259 10.245 5.238 1.00 75.14 C ATOM 264 O LYS A 18 7.831 11.068 5.976 1.00 53.34 O ATOM 265 CB LYS A 18 8.653 7.929 6.025 1.00 31.23 C ATOM 266 CG LYS A 18 8.305 6.462 5.985 1.00 23.14 C ATOM 267 CD LYS A 18 9.161 5.625 6.881 1.00 62.25 C ATOM 268 CE LYS A 18 8.635 5.739 8.258 1.00 65.43 C ATOM 269 NZ LYS A 18 9.379 4.927 9.233 1.00 51.30 N ATOM 0 H LYS A 18 7.927 7.437 3.718 1.00 20.01 H new ATOM 0 HA LYS A 18 6.704 8.832 5.720 1.00 25.31 H new ATOM 0 HB2 LYS A 18 9.658 8.062 5.625 1.00 31.23 H new ATOM 0 HB3 LYS A 18 8.678 8.256 7.065 1.00 31.23 H new ATOM 0 HG2 LYS A 18 7.261 6.336 6.270 1.00 23.14 H new ATOM 0 HG3 LYS A 18 8.401 6.101 4.961 1.00 23.14 H new ATOM 0 HD2 LYS A 18 9.150 4.585 6.555 1.00 62.25 H new ATOM 0 HD3 LYS A 18 10.197 5.961 6.840 1.00 62.25 H new ATOM 0 HE2 LYS A 18 8.666 6.784 8.566 1.00 65.43 H new ATOM 0 HE3 LYS A 18 7.588 5.436 8.266 1.00 65.43 H new ATOM 0 HZ1 LYS A 18 8.962 5.050 10.178 1.00 51.30 H new ATOM 0 HZ2 LYS A 18 9.329 3.925 8.960 1.00 51.30 H new ATOM 0 HZ3 LYS A 18 10.373 5.231 9.251 1.00 51.30 H new ATOM 283 N THR A 19 9.249 10.460 4.391 1.00 53.34 N ATOM 284 CA THR A 19 9.953 11.701 4.215 1.00 23.33 C ATOM 285 C THR A 19 9.114 12.768 3.447 1.00 54.44 C ATOM 286 O THR A 19 9.126 13.954 3.781 1.00 42.43 O ATOM 287 CB THR A 19 11.225 11.346 3.425 1.00 41.20 C ATOM 288 OG1 THR A 19 12.152 10.576 4.214 1.00 71.44 O ATOM 289 CG2 THR A 19 11.871 12.525 2.763 1.00 45.22 C ATOM 0 H THR A 19 9.598 9.725 3.775 1.00 53.34 H new ATOM 0 HA THR A 19 10.173 12.150 5.183 1.00 23.33 H new ATOM 0 HB THR A 19 10.897 10.707 2.605 1.00 41.20 H new ATOM 0 HG1 THR A 19 11.922 9.625 4.154 1.00 71.44 H new ATOM 0 HG21 THR A 19 12.761 12.198 2.225 1.00 45.22 H new ATOM 0 HG22 THR A 19 11.170 12.978 2.062 1.00 45.22 H new ATOM 0 HG23 THR A 19 12.153 13.258 3.519 1.00 45.22 H new ATOM 297 N ARG A 20 8.427 12.347 2.428 1.00 30.53 N ATOM 298 CA ARG A 20 7.683 13.261 1.588 1.00 40.14 C ATOM 299 C ARG A 20 6.431 13.765 2.246 1.00 63.30 C ATOM 300 O ARG A 20 6.035 14.913 2.063 1.00 72.24 O ATOM 301 CB ARG A 20 7.433 12.632 0.230 1.00 0.23 C ATOM 302 CG ARG A 20 8.678 12.660 -0.655 1.00 13.25 C ATOM 303 CD ARG A 20 9.031 14.087 -1.062 1.00 50.04 C ATOM 304 NE ARG A 20 10.252 14.162 -1.868 1.00 20.42 N ATOM 305 CZ ARG A 20 11.025 15.253 -1.968 1.00 60.13 C ATOM 306 NH1 ARG A 20 10.736 16.352 -1.265 1.00 32.11 N ATOM 307 NH2 ARG A 20 12.093 15.236 -2.757 1.00 13.23 N ATOM 0 H ARG A 20 8.361 11.368 2.149 1.00 30.53 H new ATOM 0 HA ARG A 20 8.291 14.152 1.433 1.00 40.14 H new ATOM 0 HB2 ARG A 20 7.107 11.601 0.363 1.00 0.23 H new ATOM 0 HB3 ARG A 20 6.622 13.161 -0.270 1.00 0.23 H new ATOM 0 HG2 ARG A 20 9.517 12.213 -0.122 1.00 13.25 H new ATOM 0 HG3 ARG A 20 8.508 12.056 -1.546 1.00 13.25 H new ATOM 0 HD2 ARG A 20 8.202 14.515 -1.626 1.00 50.04 H new ATOM 0 HD3 ARG A 20 9.155 14.695 -0.166 1.00 50.04 H new ATOM 0 HE ARG A 20 10.532 13.330 -2.387 1.00 20.42 H new ATOM 0 HH11 ARG A 20 9.924 16.364 -0.648 1.00 32.11 H new ATOM 0 HH12 ARG A 20 11.328 17.179 -1.345 1.00 32.11 H new ATOM 0 HH21 ARG A 20 12.324 14.394 -3.285 1.00 13.23 H new ATOM 0 HH22 ARG A 20 12.683 16.065 -2.835 1.00 13.23 H new ATOM 321 N PHE A 21 5.856 12.942 3.050 1.00 40.11 N ATOM 322 CA PHE A 21 4.667 13.273 3.783 1.00 33.22 C ATOM 323 C PHE A 21 5.028 13.248 5.259 1.00 43.10 C ATOM 324 O PHE A 21 4.213 12.951 6.119 1.00 0.12 O ATOM 325 CB PHE A 21 3.587 12.240 3.465 1.00 22.41 C ATOM 326 CG PHE A 21 3.247 12.138 1.992 1.00 13.31 C ATOM 327 CD1 PHE A 21 3.961 11.288 1.154 1.00 34.13 C ATOM 328 CD2 PHE A 21 2.204 12.865 1.456 1.00 53.02 C ATOM 329 CE1 PHE A 21 3.640 11.169 -0.174 1.00 24.41 C ATOM 330 CE2 PHE A 21 1.878 12.756 0.120 1.00 50.21 C ATOM 331 CZ PHE A 21 2.596 11.906 -0.697 1.00 23.52 C ATOM 0 H PHE A 21 6.200 11.998 3.226 1.00 40.11 H new ATOM 0 HA PHE A 21 4.284 14.257 3.514 1.00 33.22 H new ATOM 0 HB2 PHE A 21 3.917 11.264 3.820 1.00 22.41 H new ATOM 0 HB3 PHE A 21 2.683 12.492 4.020 1.00 22.41 H new ATOM 0 HD1 PHE A 21 4.782 10.712 1.556 1.00 34.13 H new ATOM 0 HD2 PHE A 21 1.635 13.528 2.091 1.00 53.02 H new ATOM 0 HE1 PHE A 21 4.202 10.501 -0.809 1.00 24.41 H new ATOM 0 HE2 PHE A 21 1.062 13.335 -0.286 1.00 50.21 H new ATOM 0 HZ PHE A 21 2.342 11.818 -1.743 1.00 23.52 H new ATOM 341 N LEU A 22 6.260 13.654 5.523 1.00 43.41 N ATOM 342 CA LEU A 22 6.888 13.606 6.841 1.00 33.23 C ATOM 343 C LEU A 22 6.136 14.460 7.841 1.00 5.51 C ATOM 344 O LEU A 22 5.994 14.104 9.015 1.00 61.55 O ATOM 345 CB LEU A 22 8.357 14.077 6.711 1.00 14.14 C ATOM 346 CG LEU A 22 9.433 13.265 7.399 1.00 30.42 C ATOM 347 CD1 LEU A 22 10.782 13.926 7.243 1.00 72.22 C ATOM 348 CD2 LEU A 22 9.114 13.057 8.818 1.00 32.45 C ATOM 0 H LEU A 22 6.873 14.039 4.805 1.00 43.41 H new ATOM 0 HA LEU A 22 6.862 12.581 7.212 1.00 33.23 H new ATOM 0 HB2 LEU A 22 8.600 14.120 5.649 1.00 14.14 H new ATOM 0 HB3 LEU A 22 8.415 15.097 7.092 1.00 14.14 H new ATOM 0 HG LEU A 22 9.474 12.287 6.920 1.00 30.42 H new ATOM 0 HD11 LEU A 22 11.541 13.326 7.745 1.00 72.22 H new ATOM 0 HD12 LEU A 22 11.026 14.009 6.184 1.00 72.22 H new ATOM 0 HD13 LEU A 22 10.753 14.921 7.688 1.00 72.22 H new ATOM 0 HD21 LEU A 22 9.904 12.471 9.286 1.00 32.45 H new ATOM 0 HD22 LEU A 22 9.033 14.022 9.318 1.00 32.45 H new ATOM 0 HD23 LEU A 22 8.167 12.524 8.904 1.00 32.45 H new ATOM 360 N ASP A 23 5.630 15.553 7.370 1.00 45.30 N ATOM 361 CA ASP A 23 4.916 16.486 8.215 1.00 33.52 C ATOM 362 C ASP A 23 3.431 16.114 8.333 1.00 71.13 C ATOM 363 O ASP A 23 2.698 16.638 9.172 1.00 1.24 O ATOM 364 CB ASP A 23 5.114 17.908 7.685 1.00 22.11 C ATOM 365 CG ASP A 23 4.338 18.950 8.441 1.00 11.11 C ATOM 366 OD1 ASP A 23 4.633 19.185 9.635 1.00 71.31 O ATOM 367 OD2 ASP A 23 3.405 19.547 7.859 1.00 62.21 O ATOM 0 H ASP A 23 5.694 15.834 6.392 1.00 45.30 H new ATOM 0 HA ASP A 23 5.324 16.436 9.225 1.00 33.52 H new ATOM 0 HB2 ASP A 23 6.174 18.157 7.726 1.00 22.11 H new ATOM 0 HB3 ASP A 23 4.820 17.939 6.636 1.00 22.11 H new ATOM 372 N HIS A 24 3.003 15.165 7.544 1.00 35.42 N ATOM 373 CA HIS A 24 1.612 14.759 7.538 1.00 24.42 C ATOM 374 C HIS A 24 1.469 13.273 7.815 1.00 52.22 C ATOM 375 O HIS A 24 1.341 12.456 6.890 1.00 24.41 O ATOM 376 CB HIS A 24 0.915 15.143 6.238 1.00 52.31 C ATOM 377 CG HIS A 24 0.597 16.599 6.112 1.00 4.22 C ATOM 378 ND1 HIS A 24 1.510 17.565 5.775 1.00 74.23 N ATOM 379 CD2 HIS A 24 -0.573 17.245 6.301 1.00 4.53 C ATOM 380 CE1 HIS A 24 0.892 18.741 5.772 1.00 71.50 C ATOM 381 NE2 HIS A 24 -0.381 18.609 6.087 1.00 13.21 N ATOM 0 H HIS A 24 3.597 14.653 6.892 1.00 35.42 H new ATOM 0 HA HIS A 24 1.117 15.300 8.345 1.00 24.42 H new ATOM 0 HB2 HIS A 24 1.547 14.848 5.401 1.00 52.31 H new ATOM 0 HB3 HIS A 24 -0.010 14.573 6.155 1.00 52.31 H new ATOM 0 HD2 HIS A 24 -1.508 16.779 6.574 1.00 4.53 H new ATOM 0 HE1 HIS A 24 1.370 19.682 5.542 1.00 71.50 H new ATOM 0 HE2 HIS A 24 -1.079 19.349 6.159 1.00 13.21 H new ATOM 389 N PRO A 25 1.467 12.894 9.100 1.00 44.24 N ATOM 390 CA PRO A 25 1.438 11.499 9.509 1.00 30.32 C ATOM 391 C PRO A 25 0.105 10.840 9.196 1.00 13.53 C ATOM 392 O PRO A 25 0.037 9.642 9.022 1.00 21.31 O ATOM 393 CB PRO A 25 1.676 11.545 11.022 1.00 44.40 C ATOM 394 CG PRO A 25 2.076 12.948 11.329 1.00 71.25 C ATOM 395 CD PRO A 25 1.480 13.796 10.261 1.00 51.55 C ATOM 0 HA PRO A 25 2.184 10.908 8.977 1.00 30.32 H new ATOM 0 HB2 PRO A 25 0.774 11.267 11.568 1.00 44.40 H new ATOM 0 HB3 PRO A 25 2.456 10.843 11.316 1.00 44.40 H new ATOM 0 HG2 PRO A 25 1.714 13.249 12.312 1.00 71.25 H new ATOM 0 HG3 PRO A 25 3.161 13.048 11.345 1.00 71.25 H new ATOM 0 HD2 PRO A 25 0.477 14.132 10.524 1.00 51.55 H new ATOM 0 HD3 PRO A 25 2.076 14.689 10.073 1.00 51.55 H new ATOM 403 N GLU A 26 -0.942 11.648 9.083 1.00 74.10 N ATOM 404 CA GLU A 26 -2.276 11.175 8.773 1.00 33.44 C ATOM 405 C GLU A 26 -2.325 10.607 7.359 1.00 73.14 C ATOM 406 O GLU A 26 -3.113 9.748 7.079 1.00 32.25 O ATOM 407 CB GLU A 26 -3.272 12.315 8.924 1.00 23.11 C ATOM 408 CG GLU A 26 -3.113 13.407 7.893 1.00 11.41 C ATOM 409 CD GLU A 26 -4.079 14.536 8.091 1.00 50.34 C ATOM 410 OE1 GLU A 26 -5.269 14.393 7.755 1.00 4.34 O ATOM 411 OE2 GLU A 26 -3.676 15.590 8.580 1.00 54.13 O ATOM 0 H GLU A 26 -0.883 12.659 9.206 1.00 74.10 H new ATOM 0 HA GLU A 26 -2.541 10.379 9.469 1.00 33.44 H new ATOM 0 HB2 GLU A 26 -4.283 11.912 8.859 1.00 23.11 H new ATOM 0 HB3 GLU A 26 -3.165 12.749 9.918 1.00 23.11 H new ATOM 0 HG2 GLU A 26 -2.095 13.794 7.934 1.00 11.41 H new ATOM 0 HG3 GLU A 26 -3.253 12.985 6.898 1.00 11.41 H new ATOM 418 N ILE A 27 -1.455 11.082 6.489 1.00 73.52 N ATOM 419 CA ILE A 27 -1.385 10.593 5.126 1.00 52.02 C ATOM 420 C ILE A 27 -0.762 9.221 5.137 1.00 23.01 C ATOM 421 O ILE A 27 -1.263 8.286 4.515 1.00 63.42 O ATOM 422 CB ILE A 27 -0.570 11.581 4.269 1.00 74.15 C ATOM 423 CG1 ILE A 27 -1.324 12.918 4.254 1.00 61.43 C ATOM 424 CG2 ILE A 27 -0.318 11.045 2.857 1.00 62.14 C ATOM 425 CD1 ILE A 27 -0.718 13.974 3.382 1.00 44.21 C ATOM 0 H ILE A 27 -0.779 11.815 6.706 1.00 73.52 H new ATOM 0 HA ILE A 27 -2.381 10.517 4.690 1.00 52.02 H new ATOM 0 HB ILE A 27 0.420 11.720 4.704 1.00 74.15 H new ATOM 0 HG12 ILE A 27 -2.347 12.738 3.924 1.00 61.43 H new ATOM 0 HG13 ILE A 27 -1.381 13.298 5.274 1.00 61.43 H new ATOM 0 HG21 ILE A 27 0.260 11.774 2.289 1.00 62.14 H new ATOM 0 HG22 ILE A 27 0.237 10.109 2.917 1.00 62.14 H new ATOM 0 HG23 ILE A 27 -1.272 10.870 2.359 1.00 62.14 H new ATOM 0 HD11 ILE A 27 -1.320 14.881 3.437 1.00 44.21 H new ATOM 0 HD12 ILE A 27 0.295 14.190 3.722 1.00 44.21 H new ATOM 0 HD13 ILE A 27 -0.687 13.621 2.351 1.00 44.21 H new ATOM 437 N TYR A 28 0.284 9.097 5.921 1.00 54.14 N ATOM 438 CA TYR A 28 0.969 7.841 6.110 1.00 0.43 C ATOM 439 C TYR A 28 -0.014 6.856 6.770 1.00 4.33 C ATOM 440 O TYR A 28 -0.190 5.729 6.323 1.00 32.43 O ATOM 441 CB TYR A 28 2.158 8.068 7.046 1.00 74.42 C ATOM 442 CG TYR A 28 3.191 6.971 7.030 1.00 20.33 C ATOM 443 CD1 TYR A 28 4.152 6.914 6.029 1.00 11.41 C ATOM 444 CD2 TYR A 28 3.202 5.986 8.001 1.00 22.52 C ATOM 445 CE1 TYR A 28 5.084 5.912 6.004 1.00 13.01 C ATOM 446 CE2 TYR A 28 4.143 4.978 7.982 1.00 25.34 C ATOM 447 CZ TYR A 28 5.078 4.947 6.984 1.00 1.43 C ATOM 448 OH TYR A 28 6.021 3.951 6.964 1.00 61.14 O ATOM 0 H TYR A 28 0.686 9.872 6.449 1.00 54.14 H new ATOM 0 HA TYR A 28 1.321 7.444 5.158 1.00 0.43 H new ATOM 0 HB2 TYR A 28 2.641 9.007 6.776 1.00 74.42 H new ATOM 0 HB3 TYR A 28 1.785 8.182 8.064 1.00 74.42 H new ATOM 0 HD1 TYR A 28 4.164 7.671 5.259 1.00 11.41 H new ATOM 0 HD2 TYR A 28 2.462 6.007 8.787 1.00 22.52 H new ATOM 0 HE1 TYR A 28 5.822 5.879 5.217 1.00 13.01 H new ATOM 0 HE2 TYR A 28 4.142 4.218 8.750 1.00 25.34 H new ATOM 0 HH TYR A 28 5.879 3.351 7.726 1.00 61.14 H new ATOM 458 N ARG A 29 -0.676 7.338 7.815 1.00 51.21 N ATOM 459 CA ARG A 29 -1.618 6.605 8.579 1.00 51.22 C ATOM 460 C ARG A 29 -2.857 6.182 7.769 1.00 34.35 C ATOM 461 O ARG A 29 -3.302 5.042 7.887 1.00 44.32 O ATOM 462 CB ARG A 29 -1.957 7.432 9.793 1.00 75.24 C ATOM 463 CG ARG A 29 -2.842 6.775 10.779 1.00 61.31 C ATOM 464 CD ARG A 29 -4.281 7.121 10.531 1.00 33.15 C ATOM 465 NE ARG A 29 -5.192 6.404 11.443 1.00 31.12 N ATOM 466 CZ ARG A 29 -6.449 5.998 11.173 1.00 75.31 C ATOM 467 NH1 ARG A 29 -6.950 6.080 9.946 1.00 52.43 N ATOM 468 NH2 ARG A 29 -7.180 5.450 12.133 1.00 23.44 N ATOM 0 H ARG A 29 -0.549 8.293 8.149 1.00 51.21 H new ATOM 0 HA ARG A 29 -1.180 5.657 8.891 1.00 51.22 H new ATOM 0 HB2 ARG A 29 -1.029 7.712 10.292 1.00 75.24 H new ATOM 0 HB3 ARG A 29 -2.432 8.356 9.462 1.00 75.24 H new ATOM 0 HG2 ARG A 29 -2.711 5.694 10.726 1.00 61.31 H new ATOM 0 HG3 ARG A 29 -2.560 7.082 11.786 1.00 61.31 H new ATOM 0 HD2 ARG A 29 -4.420 8.195 10.652 1.00 33.15 H new ATOM 0 HD3 ARG A 29 -4.538 6.880 9.500 1.00 33.15 H new ATOM 0 HE ARG A 29 -4.834 6.194 12.375 1.00 31.12 H new ATOM 0 HH11 ARG A 29 -6.381 6.456 9.187 1.00 52.43 H new ATOM 0 HH12 ARG A 29 -7.903 5.767 9.762 1.00 52.43 H new ATOM 0 HH21 ARG A 29 -6.791 5.338 13.069 1.00 23.44 H new ATOM 0 HH22 ARG A 29 -8.132 5.141 11.936 1.00 23.44 H new ATOM 482 N SER A 30 -3.415 7.090 6.954 1.00 12.31 N ATOM 483 CA SER A 30 -4.549 6.747 6.082 1.00 34.21 C ATOM 484 C SER A 30 -4.154 5.658 5.122 1.00 0.21 C ATOM 485 O SER A 30 -4.958 4.873 4.696 1.00 44.04 O ATOM 486 CB SER A 30 -5.061 7.961 5.295 1.00 52.13 C ATOM 487 OG SER A 30 -5.662 8.925 6.138 1.00 32.31 O ATOM 0 H SER A 30 -3.103 8.058 6.880 1.00 12.31 H new ATOM 0 HA SER A 30 -5.357 6.400 6.726 1.00 34.21 H new ATOM 0 HB2 SER A 30 -4.232 8.418 4.755 1.00 52.13 H new ATOM 0 HB3 SER A 30 -5.784 7.631 4.549 1.00 52.13 H new ATOM 0 HG SER A 30 -4.966 9.406 6.633 1.00 32.31 H new ATOM 493 N PHE A 31 -2.925 5.643 4.750 1.00 42.53 N ATOM 494 CA PHE A 31 -2.451 4.602 3.925 1.00 43.24 C ATOM 495 C PHE A 31 -2.263 3.293 4.709 1.00 71.14 C ATOM 496 O PHE A 31 -2.630 2.211 4.231 1.00 20.24 O ATOM 497 CB PHE A 31 -1.212 5.021 3.175 1.00 4.01 C ATOM 498 CG PHE A 31 -0.501 3.844 2.613 1.00 74.24 C ATOM 499 CD1 PHE A 31 -1.006 3.190 1.516 1.00 64.25 C ATOM 500 CD2 PHE A 31 0.636 3.357 3.225 1.00 35.41 C ATOM 501 CE1 PHE A 31 -0.398 2.070 1.021 1.00 41.52 C ATOM 502 CE2 PHE A 31 1.269 2.236 2.736 1.00 2.34 C ATOM 503 CZ PHE A 31 0.750 1.584 1.626 1.00 70.44 C ATOM 0 H PHE A 31 -2.230 6.344 5.007 1.00 42.53 H new ATOM 0 HA PHE A 31 -3.214 4.395 3.175 1.00 43.24 H new ATOM 0 HB2 PHE A 31 -1.484 5.703 2.370 1.00 4.01 H new ATOM 0 HB3 PHE A 31 -0.546 5.567 3.844 1.00 4.01 H new ATOM 0 HD1 PHE A 31 -1.898 3.566 1.037 1.00 64.25 H new ATOM 0 HD2 PHE A 31 1.033 3.859 4.095 1.00 35.41 H new ATOM 0 HE1 PHE A 31 -0.811 1.565 0.160 1.00 41.52 H new ATOM 0 HE2 PHE A 31 2.164 1.866 3.214 1.00 2.34 H new ATOM 0 HZ PHE A 31 1.238 0.703 1.236 1.00 70.44 H new ATOM 513 N LEU A 32 -1.689 3.390 5.896 1.00 64.12 N ATOM 514 CA LEU A 32 -1.482 2.236 6.756 1.00 72.31 C ATOM 515 C LEU A 32 -2.784 1.542 7.058 1.00 61.05 C ATOM 516 O LEU A 32 -2.827 0.313 7.157 1.00 64.22 O ATOM 517 CB LEU A 32 -0.820 2.643 8.057 1.00 74.55 C ATOM 518 CG LEU A 32 0.589 3.193 7.964 1.00 20.32 C ATOM 519 CD1 LEU A 32 1.058 3.581 9.341 1.00 43.12 C ATOM 520 CD2 LEU A 32 1.542 2.180 7.326 1.00 21.55 C ATOM 0 H LEU A 32 -1.354 4.269 6.291 1.00 64.12 H new ATOM 0 HA LEU A 32 -0.829 1.547 6.220 1.00 72.31 H new ATOM 0 HB2 LEU A 32 -1.447 3.395 8.537 1.00 74.55 H new ATOM 0 HB3 LEU A 32 -0.803 1.775 8.716 1.00 74.55 H new ATOM 0 HG LEU A 32 0.584 4.074 7.322 1.00 20.32 H new ATOM 0 HD11 LEU A 32 2.072 3.978 9.282 1.00 43.12 H new ATOM 0 HD12 LEU A 32 0.394 4.342 9.751 1.00 43.12 H new ATOM 0 HD13 LEU A 32 1.049 2.705 9.989 1.00 43.12 H new ATOM 0 HD21 LEU A 32 2.544 2.606 7.274 1.00 21.55 H new ATOM 0 HD22 LEU A 32 1.564 1.272 7.928 1.00 21.55 H new ATOM 0 HD23 LEU A 32 1.197 1.940 6.320 1.00 21.55 H new ATOM 532 N GLU A 33 -3.845 2.326 7.178 1.00 32.00 N ATOM 533 CA GLU A 33 -5.152 1.794 7.449 1.00 14.14 C ATOM 534 C GLU A 33 -5.610 0.936 6.256 1.00 30.44 C ATOM 535 O GLU A 33 -6.163 -0.130 6.443 1.00 21.20 O ATOM 536 CB GLU A 33 -6.162 2.925 7.769 1.00 11.14 C ATOM 537 CG GLU A 33 -6.775 3.621 6.558 1.00 13.22 C ATOM 538 CD GLU A 33 -7.757 4.699 6.912 1.00 30.34 C ATOM 539 OE1 GLU A 33 -7.347 5.849 7.197 1.00 34.15 O ATOM 540 OE2 GLU A 33 -8.970 4.425 6.877 1.00 72.00 O ATOM 0 H GLU A 33 -3.814 3.342 7.089 1.00 32.00 H new ATOM 0 HA GLU A 33 -5.106 1.160 8.334 1.00 14.14 H new ATOM 0 HB2 GLU A 33 -6.968 2.508 8.373 1.00 11.14 H new ATOM 0 HB3 GLU A 33 -5.660 3.674 8.381 1.00 11.14 H new ATOM 0 HG2 GLU A 33 -5.976 4.054 5.956 1.00 13.22 H new ATOM 0 HG3 GLU A 33 -7.274 2.877 5.937 1.00 13.22 H new ATOM 547 N ILE A 34 -5.293 1.392 5.033 1.00 34.12 N ATOM 548 CA ILE A 34 -5.625 0.703 3.813 1.00 73.51 C ATOM 549 C ILE A 34 -4.863 -0.596 3.749 1.00 34.25 C ATOM 550 O ILE A 34 -5.428 -1.631 3.465 1.00 25.54 O ATOM 551 CB ILE A 34 -5.253 1.577 2.589 1.00 15.54 C ATOM 552 CG1 ILE A 34 -6.051 2.872 2.609 1.00 13.22 C ATOM 553 CG2 ILE A 34 -5.456 0.825 1.277 1.00 22.13 C ATOM 554 CD1 ILE A 34 -5.599 3.872 1.585 1.00 13.22 C ATOM 0 H ILE A 34 -4.790 2.266 4.881 1.00 34.12 H new ATOM 0 HA ILE A 34 -6.697 0.504 3.797 1.00 73.51 H new ATOM 0 HB ILE A 34 -4.193 1.820 2.656 1.00 15.54 H new ATOM 0 HG12 ILE A 34 -7.103 2.643 2.441 1.00 13.22 H new ATOM 0 HG13 ILE A 34 -5.976 3.320 3.600 1.00 13.22 H new ATOM 0 HG21 ILE A 34 -5.185 1.471 0.442 1.00 22.13 H new ATOM 0 HG22 ILE A 34 -4.827 -0.065 1.267 1.00 22.13 H new ATOM 0 HG23 ILE A 34 -6.502 0.532 1.184 1.00 22.13 H new ATOM 0 HD11 ILE A 34 -6.213 4.770 1.658 1.00 13.22 H new ATOM 0 HD12 ILE A 34 -4.555 4.130 1.765 1.00 13.22 H new ATOM 0 HD13 ILE A 34 -5.700 3.443 0.588 1.00 13.22 H new ATOM 566 N LEU A 35 -3.586 -0.536 4.052 1.00 74.24 N ATOM 567 CA LEU A 35 -2.742 -1.689 4.014 1.00 43.22 C ATOM 568 C LEU A 35 -3.211 -2.707 5.075 1.00 72.41 C ATOM 569 O LEU A 35 -3.258 -3.902 4.809 1.00 72.12 O ATOM 570 CB LEU A 35 -1.299 -1.236 4.243 1.00 23.45 C ATOM 571 CG LEU A 35 -0.169 -2.091 3.647 1.00 51.14 C ATOM 572 CD1 LEU A 35 -0.086 -3.477 4.271 1.00 72.10 C ATOM 573 CD2 LEU A 35 -0.303 -2.193 2.129 1.00 1.52 C ATOM 0 H LEU A 35 -3.110 0.322 4.332 1.00 74.24 H new ATOM 0 HA LEU A 35 -2.797 -2.186 3.045 1.00 43.22 H new ATOM 0 HB2 LEU A 35 -1.199 -0.226 3.844 1.00 23.45 H new ATOM 0 HB3 LEU A 35 -1.136 -1.171 5.319 1.00 23.45 H new ATOM 0 HG LEU A 35 0.764 -1.580 3.885 1.00 51.14 H new ATOM 0 HD11 LEU A 35 0.730 -4.035 3.811 1.00 72.10 H new ATOM 0 HD12 LEU A 35 0.097 -3.384 5.342 1.00 72.10 H new ATOM 0 HD13 LEU A 35 -1.025 -4.006 4.108 1.00 72.10 H new ATOM 0 HD21 LEU A 35 0.509 -2.803 1.732 1.00 1.52 H new ATOM 0 HD22 LEU A 35 -1.259 -2.653 1.878 1.00 1.52 H new ATOM 0 HD23 LEU A 35 -0.255 -1.196 1.692 1.00 1.52 H new ATOM 585 N HIS A 36 -3.615 -2.212 6.239 1.00 23.20 N ATOM 586 CA HIS A 36 -4.092 -3.073 7.322 1.00 31.43 C ATOM 587 C HIS A 36 -5.439 -3.693 6.903 1.00 32.12 C ATOM 588 O HIS A 36 -5.694 -4.884 7.115 1.00 23.41 O ATOM 589 CB HIS A 36 -4.247 -2.258 8.615 1.00 13.15 C ATOM 590 CG HIS A 36 -4.201 -3.081 9.868 1.00 54.33 C ATOM 591 ND1 HIS A 36 -3.359 -2.815 10.921 1.00 43.13 N ATOM 592 CD2 HIS A 36 -4.901 -4.178 10.224 1.00 34.21 C ATOM 593 CE1 HIS A 36 -3.560 -3.730 11.857 1.00 2.33 C ATOM 594 NE2 HIS A 36 -4.495 -4.594 11.485 1.00 41.43 N ATOM 0 H HIS A 36 -3.623 -1.216 6.460 1.00 23.20 H new ATOM 0 HA HIS A 36 -3.371 -3.869 7.511 1.00 31.43 H new ATOM 0 HB2 HIS A 36 -3.456 -1.509 8.656 1.00 13.15 H new ATOM 0 HB3 HIS A 36 -5.194 -1.720 8.581 1.00 13.15 H new ATOM 0 HD1 HIS A 36 -2.693 -2.044 10.973 1.00 43.13 H new ATOM 0 HD2 HIS A 36 -5.659 -4.658 9.622 1.00 34.21 H new ATOM 0 HE1 HIS A 36 -3.032 -3.768 12.799 1.00 2.33 H new ATOM 602 N THR A 37 -6.271 -2.867 6.298 1.00 54.41 N ATOM 603 CA THR A 37 -7.533 -3.265 5.698 1.00 3.04 C ATOM 604 C THR A 37 -7.296 -4.370 4.657 1.00 35.34 C ATOM 605 O THR A 37 -7.972 -5.409 4.656 1.00 23.03 O ATOM 606 CB THR A 37 -8.178 -2.002 5.052 1.00 40.40 C ATOM 607 OG1 THR A 37 -8.819 -1.185 6.047 1.00 24.21 O ATOM 608 CG2 THR A 37 -9.104 -2.286 3.874 1.00 43.45 C ATOM 0 H THR A 37 -6.082 -1.869 6.207 1.00 54.41 H new ATOM 0 HA THR A 37 -8.209 -3.670 6.451 1.00 3.04 H new ATOM 0 HB THR A 37 -7.348 -1.445 4.618 1.00 40.40 H new ATOM 0 HG1 THR A 37 -8.154 -0.604 6.471 1.00 24.21 H new ATOM 0 HG21 THR A 37 -9.504 -1.347 3.491 1.00 43.45 H new ATOM 0 HG22 THR A 37 -8.545 -2.790 3.086 1.00 43.45 H new ATOM 0 HG23 THR A 37 -9.925 -2.924 4.202 1.00 43.45 H new ATOM 616 N TYR A 38 -6.288 -4.158 3.843 1.00 13.22 N ATOM 617 CA TYR A 38 -5.898 -5.058 2.797 1.00 53.32 C ATOM 618 C TYR A 38 -5.468 -6.410 3.387 1.00 4.00 C ATOM 619 O TYR A 38 -5.646 -7.454 2.762 1.00 63.42 O ATOM 620 CB TYR A 38 -4.765 -4.417 1.987 1.00 44.23 C ATOM 621 CG TYR A 38 -4.448 -5.136 0.734 1.00 20.33 C ATOM 622 CD1 TYR A 38 -5.207 -4.895 -0.374 1.00 55.14 C ATOM 623 CD2 TYR A 38 -3.412 -6.054 0.652 1.00 64.30 C ATOM 624 CE1 TYR A 38 -4.965 -5.551 -1.567 1.00 71.25 C ATOM 625 CE2 TYR A 38 -3.151 -6.717 -0.534 1.00 44.31 C ATOM 626 CZ TYR A 38 -3.938 -6.460 -1.641 1.00 34.42 C ATOM 627 OH TYR A 38 -3.705 -7.118 -2.818 1.00 53.21 O ATOM 0 H TYR A 38 -5.701 -3.325 3.897 1.00 13.22 H new ATOM 0 HA TYR A 38 -6.743 -5.246 2.135 1.00 53.32 H new ATOM 0 HB2 TYR A 38 -5.039 -3.390 1.746 1.00 44.23 H new ATOM 0 HB3 TYR A 38 -3.869 -4.372 2.606 1.00 44.23 H new ATOM 0 HD1 TYR A 38 -6.013 -4.178 -0.318 1.00 55.14 H new ATOM 0 HD2 TYR A 38 -2.803 -6.253 1.522 1.00 64.30 H new ATOM 0 HE1 TYR A 38 -5.578 -5.350 -2.433 1.00 71.25 H new ATOM 0 HE2 TYR A 38 -2.340 -7.428 -0.594 1.00 44.31 H new ATOM 0 HH TYR A 38 -2.944 -7.726 -2.708 1.00 53.21 H new ATOM 637 N GLN A 39 -4.909 -6.368 4.591 1.00 71.24 N ATOM 638 CA GLN A 39 -4.508 -7.566 5.308 1.00 32.03 C ATOM 639 C GLN A 39 -5.727 -8.338 5.803 1.00 54.34 C ATOM 640 O GLN A 39 -5.802 -9.543 5.624 1.00 40.45 O ATOM 641 CB GLN A 39 -3.574 -7.236 6.467 1.00 15.44 C ATOM 642 CG GLN A 39 -2.259 -6.614 6.035 1.00 2.41 C ATOM 643 CD GLN A 39 -1.449 -7.504 5.102 1.00 12.14 C ATOM 644 OE1 GLN A 39 -1.529 -8.726 5.158 1.00 34.33 O ATOM 645 NE2 GLN A 39 -0.659 -6.902 4.256 1.00 71.32 N ATOM 0 H GLN A 39 -4.722 -5.501 5.095 1.00 71.24 H new ATOM 0 HA GLN A 39 -3.961 -8.199 4.609 1.00 32.03 H new ATOM 0 HB2 GLN A 39 -4.082 -6.553 7.148 1.00 15.44 H new ATOM 0 HB3 GLN A 39 -3.367 -8.149 7.026 1.00 15.44 H new ATOM 0 HG2 GLN A 39 -2.460 -5.665 5.537 1.00 2.41 H new ATOM 0 HG3 GLN A 39 -1.663 -6.390 6.920 1.00 2.41 H new ATOM 0 HE21 GLN A 39 -0.616 -5.883 4.235 1.00 71.32 H new ATOM 0 HE22 GLN A 39 -0.085 -7.450 3.616 1.00 71.32 H new ATOM 654 N LYS A 40 -6.705 -7.631 6.393 1.00 10.03 N ATOM 655 CA LYS A 40 -7.960 -8.273 6.847 1.00 65.13 C ATOM 656 C LYS A 40 -8.703 -8.935 5.709 1.00 12.31 C ATOM 657 O LYS A 40 -9.423 -9.918 5.901 1.00 5.22 O ATOM 658 CB LYS A 40 -8.894 -7.299 7.523 1.00 61.53 C ATOM 659 CG LYS A 40 -8.781 -7.272 9.026 1.00 51.41 C ATOM 660 CD LYS A 40 -7.532 -6.582 9.525 1.00 4.31 C ATOM 661 CE LYS A 40 -7.540 -6.503 11.047 1.00 41.21 C ATOM 662 NZ LYS A 40 -8.744 -5.796 11.554 1.00 25.42 N ATOM 0 H LYS A 40 -6.657 -6.627 6.567 1.00 10.03 H new ATOM 0 HA LYS A 40 -7.650 -9.029 7.568 1.00 65.13 H new ATOM 0 HB2 LYS A 40 -8.698 -6.298 7.138 1.00 61.53 H new ATOM 0 HB3 LYS A 40 -9.920 -7.549 7.252 1.00 61.53 H new ATOM 0 HG2 LYS A 40 -9.655 -6.768 9.439 1.00 51.41 H new ATOM 0 HG3 LYS A 40 -8.796 -8.295 9.402 1.00 51.41 H new ATOM 0 HD2 LYS A 40 -6.649 -7.125 9.187 1.00 4.31 H new ATOM 0 HD3 LYS A 40 -7.470 -5.579 9.103 1.00 4.31 H new ATOM 0 HE2 LYS A 40 -7.507 -7.510 11.464 1.00 41.21 H new ATOM 0 HE3 LYS A 40 -6.643 -5.986 11.389 1.00 41.21 H new ATOM 0 HZ1 LYS A 40 -8.556 -5.433 12.510 1.00 25.42 H new ATOM 0 HZ2 LYS A 40 -8.973 -5.003 10.921 1.00 25.42 H new ATOM 0 HZ3 LYS A 40 -9.547 -6.456 11.586 1.00 25.42 H new ATOM 676 N GLU A 41 -8.507 -8.404 4.526 1.00 41.24 N ATOM 677 CA GLU A 41 -9.115 -8.909 3.318 1.00 52.41 C ATOM 678 C GLU A 41 -8.513 -10.257 2.894 1.00 15.13 C ATOM 679 O GLU A 41 -9.086 -10.967 2.062 1.00 23.53 O ATOM 680 CB GLU A 41 -8.945 -7.888 2.196 1.00 12.03 C ATOM 681 CG GLU A 41 -10.240 -7.277 1.704 1.00 44.21 C ATOM 682 CD GLU A 41 -11.025 -6.553 2.774 1.00 71.13 C ATOM 683 OE1 GLU A 41 -11.855 -7.176 3.437 1.00 21.54 O ATOM 684 OE2 GLU A 41 -10.886 -5.326 2.917 1.00 23.22 O ATOM 0 H GLU A 41 -7.908 -7.592 4.373 1.00 41.24 H new ATOM 0 HA GLU A 41 -10.174 -9.071 3.518 1.00 52.41 H new ATOM 0 HB2 GLU A 41 -8.290 -7.089 2.544 1.00 12.03 H new ATOM 0 HB3 GLU A 41 -8.443 -8.369 1.357 1.00 12.03 H new ATOM 0 HG2 GLU A 41 -10.017 -6.579 0.897 1.00 44.21 H new ATOM 0 HG3 GLU A 41 -10.863 -8.065 1.281 1.00 44.21 H new ATOM 691 N GLN A 42 -7.370 -10.608 3.461 1.00 33.33 N ATOM 692 CA GLN A 42 -6.700 -11.848 3.106 1.00 60.11 C ATOM 693 C GLN A 42 -7.116 -12.959 4.049 1.00 30.42 C ATOM 694 O GLN A 42 -6.893 -14.141 3.786 1.00 73.41 O ATOM 695 CB GLN A 42 -5.189 -11.676 3.143 1.00 12.33 C ATOM 696 CG GLN A 42 -4.690 -10.460 2.379 1.00 63.14 C ATOM 697 CD GLN A 42 -5.143 -10.425 0.931 1.00 74.11 C ATOM 698 OE1 GLN A 42 -5.314 -11.458 0.278 1.00 62.04 O ATOM 699 NE2 GLN A 42 -5.416 -9.246 0.446 1.00 50.43 N ATOM 0 H GLN A 42 -6.888 -10.053 4.168 1.00 33.33 H new ATOM 0 HA GLN A 42 -6.994 -12.114 2.091 1.00 60.11 H new ATOM 0 HB2 GLN A 42 -4.867 -11.598 4.181 1.00 12.33 H new ATOM 0 HB3 GLN A 42 -4.721 -12.570 2.730 1.00 12.33 H new ATOM 0 HG2 GLN A 42 -5.038 -9.558 2.882 1.00 63.14 H new ATOM 0 HG3 GLN A 42 -3.601 -10.443 2.411 1.00 63.14 H new ATOM 0 HE21 GLN A 42 -5.262 -8.413 1.014 1.00 50.43 H new ATOM 0 HE22 GLN A 42 -5.783 -9.157 -0.501 1.00 50.43 H new ATOM 708 N LEU A 43 -7.716 -12.576 5.149 1.00 33.53 N ATOM 709 CA LEU A 43 -8.185 -13.526 6.126 1.00 22.43 C ATOM 710 C LEU A 43 -9.586 -13.980 5.778 1.00 50.03 C ATOM 711 O LEU A 43 -10.305 -13.302 5.029 1.00 65.51 O ATOM 712 CB LEU A 43 -8.138 -12.966 7.574 1.00 73.43 C ATOM 713 CG LEU A 43 -6.786 -12.931 8.299 1.00 53.25 C ATOM 714 CD1 LEU A 43 -6.263 -14.318 8.444 1.00 11.01 C ATOM 715 CD2 LEU A 43 -5.772 -12.058 7.586 1.00 44.22 C ATOM 0 H LEU A 43 -7.892 -11.601 5.391 1.00 33.53 H new ATOM 0 HA LEU A 43 -7.508 -14.380 6.097 1.00 22.43 H new ATOM 0 HB2 LEU A 43 -8.528 -11.948 7.549 1.00 73.43 H new ATOM 0 HB3 LEU A 43 -8.825 -13.556 8.181 1.00 73.43 H new ATOM 0 HG LEU A 43 -6.948 -12.491 9.283 1.00 53.25 H new ATOM 0 HD11 LEU A 43 -5.303 -14.293 8.959 1.00 11.01 H new ATOM 0 HD12 LEU A 43 -6.969 -14.915 9.022 1.00 11.01 H new ATOM 0 HD13 LEU A 43 -6.134 -14.763 7.457 1.00 11.01 H new ATOM 0 HD21 LEU A 43 -4.832 -12.066 8.138 1.00 44.22 H new ATOM 0 HD22 LEU A 43 -5.605 -12.442 6.580 1.00 44.22 H new ATOM 0 HD23 LEU A 43 -6.149 -11.037 7.527 1.00 44.22 H new ATOM 727 N HIS A 44 -9.975 -15.108 6.315 1.00 51.43 N ATOM 728 CA HIS A 44 -11.283 -15.674 6.050 1.00 11.31 C ATOM 729 C HIS A 44 -12.314 -14.971 6.902 1.00 53.33 C ATOM 730 O HIS A 44 -12.463 -15.275 8.086 1.00 34.33 O ATOM 731 CB HIS A 44 -11.295 -17.192 6.310 1.00 61.22 C ATOM 732 CG HIS A 44 -10.365 -17.967 5.421 1.00 51.55 C ATOM 733 ND1 HIS A 44 -10.779 -18.749 4.373 1.00 12.15 N ATOM 734 CD2 HIS A 44 -9.012 -18.068 5.449 1.00 23.51 C ATOM 735 CE1 HIS A 44 -9.701 -19.288 3.808 1.00 50.10 C ATOM 736 NE2 HIS A 44 -8.596 -18.905 4.423 1.00 34.31 N ATOM 0 H HIS A 44 -9.399 -15.663 6.948 1.00 51.43 H new ATOM 0 HA HIS A 44 -11.527 -15.525 4.998 1.00 11.31 H new ATOM 0 HB2 HIS A 44 -11.025 -17.375 7.350 1.00 61.22 H new ATOM 0 HB3 HIS A 44 -12.309 -17.567 6.173 1.00 61.22 H new ATOM 0 HD2 HIS A 44 -8.362 -17.575 6.157 1.00 23.51 H new ATOM 0 HE1 HIS A 44 -9.726 -19.952 2.957 1.00 50.10 H new ATOM 0 HE2 HIS A 44 -7.638 -19.169 4.192 1.00 34.31 H new ATOM 744 N THR A 45 -12.994 -14.018 6.296 1.00 0.44 N ATOM 745 CA THR A 45 -13.971 -13.145 6.933 1.00 12.31 C ATOM 746 C THR A 45 -13.405 -12.321 8.073 1.00 43.24 C ATOM 747 O THR A 45 -13.165 -12.809 9.180 1.00 24.21 O ATOM 748 CB THR A 45 -15.331 -13.814 7.309 1.00 61.52 C ATOM 749 OG1 THR A 45 -15.138 -15.078 7.970 1.00 11.55 O ATOM 750 CG2 THR A 45 -16.210 -13.978 6.082 1.00 2.00 C ATOM 0 H THR A 45 -12.878 -13.819 5.302 1.00 0.44 H new ATOM 0 HA THR A 45 -14.220 -12.448 6.133 1.00 12.31 H new ATOM 0 HB THR A 45 -15.838 -13.151 8.010 1.00 61.52 H new ATOM 0 HG1 THR A 45 -14.266 -15.084 8.416 1.00 11.55 H new ATOM 0 HG21 THR A 45 -17.152 -14.446 6.369 1.00 2.00 H new ATOM 0 HG22 THR A 45 -16.410 -13.000 5.644 1.00 2.00 H new ATOM 0 HG23 THR A 45 -15.701 -14.606 5.351 1.00 2.00 H new ATOM 758 N LYS A 46 -13.170 -11.075 7.767 1.00 23.43 N ATOM 759 CA LYS A 46 -12.715 -10.073 8.716 1.00 71.42 C ATOM 760 C LYS A 46 -13.726 -9.894 9.856 1.00 53.20 C ATOM 761 O LYS A 46 -13.376 -9.460 10.960 1.00 54.23 O ATOM 762 CB LYS A 46 -12.495 -8.772 7.957 1.00 5.11 C ATOM 763 CG LYS A 46 -13.715 -8.312 7.167 1.00 30.03 C ATOM 764 CD LYS A 46 -13.373 -7.163 6.260 1.00 53.12 C ATOM 765 CE LYS A 46 -14.519 -6.844 5.321 1.00 0.51 C ATOM 766 NZ LYS A 46 -14.117 -5.840 4.324 1.00 61.40 N ATOM 0 H LYS A 46 -13.291 -10.708 6.823 1.00 23.43 H new ATOM 0 HA LYS A 46 -11.780 -10.391 9.178 1.00 71.42 H new ATOM 0 HB2 LYS A 46 -12.215 -7.991 8.664 1.00 5.11 H new ATOM 0 HB3 LYS A 46 -11.656 -8.898 7.273 1.00 5.11 H new ATOM 0 HG2 LYS A 46 -14.103 -9.142 6.577 1.00 30.03 H new ATOM 0 HG3 LYS A 46 -14.506 -8.013 7.855 1.00 30.03 H new ATOM 0 HD2 LYS A 46 -13.134 -6.283 6.858 1.00 53.12 H new ATOM 0 HD3 LYS A 46 -12.482 -7.406 5.681 1.00 53.12 H new ATOM 0 HE2 LYS A 46 -14.845 -7.753 4.816 1.00 0.51 H new ATOM 0 HE3 LYS A 46 -15.370 -6.474 5.892 1.00 0.51 H new ATOM 0 HZ1 LYS A 46 -14.829 -5.798 3.567 1.00 61.40 H new ATOM 0 HZ2 LYS A 46 -14.041 -4.909 4.780 1.00 61.40 H new ATOM 0 HZ3 LYS A 46 -13.196 -6.103 3.919 1.00 61.40 H new ATOM 780 N GLY A 47 -14.963 -10.216 9.566 1.00 61.13 N ATOM 781 CA GLY A 47 -16.002 -10.201 10.539 1.00 63.31 C ATOM 782 C GLY A 47 -17.200 -10.903 9.993 1.00 42.52 C ATOM 783 O GLY A 47 -17.443 -12.069 10.278 1.00 41.25 O ATOM 0 H GLY A 47 -15.269 -10.497 8.635 1.00 61.13 H new ATOM 0 HA2 GLY A 47 -15.666 -10.689 11.454 1.00 63.31 H new ATOM 0 HA3 GLY A 47 -16.256 -9.174 10.800 1.00 63.31 H new ATOM 787 N ARG A 48 -17.888 -10.216 9.162 1.00 4.23 N ATOM 788 CA ARG A 48 -19.061 -10.702 8.500 1.00 11.14 C ATOM 789 C ARG A 48 -18.676 -10.928 7.048 1.00 12.51 C ATOM 790 O ARG A 48 -17.642 -10.397 6.610 1.00 72.23 O ATOM 791 CB ARG A 48 -20.130 -9.590 8.575 1.00 45.12 C ATOM 792 CG ARG A 48 -21.452 -9.877 7.881 1.00 73.45 C ATOM 793 CD ARG A 48 -22.287 -8.629 7.795 1.00 3.13 C ATOM 794 NE ARG A 48 -23.519 -8.829 7.021 1.00 63.24 N ATOM 795 CZ ARG A 48 -23.740 -8.349 5.777 1.00 60.24 C ATOM 796 NH1 ARG A 48 -22.738 -7.825 5.063 1.00 60.13 N ATOM 797 NH2 ARG A 48 -24.938 -8.450 5.237 1.00 22.52 N ATOM 0 H ARG A 48 -17.648 -9.258 8.906 1.00 4.23 H new ATOM 0 HA ARG A 48 -19.444 -11.619 8.948 1.00 11.14 H new ATOM 0 HB2 ARG A 48 -20.333 -9.382 9.625 1.00 45.12 H new ATOM 0 HB3 ARG A 48 -19.709 -8.681 8.146 1.00 45.12 H new ATOM 0 HG2 ARG A 48 -21.266 -10.266 6.880 1.00 73.45 H new ATOM 0 HG3 ARG A 48 -21.996 -10.648 8.427 1.00 73.45 H new ATOM 0 HD2 ARG A 48 -22.544 -8.297 8.801 1.00 3.13 H new ATOM 0 HD3 ARG A 48 -21.699 -7.833 7.337 1.00 3.13 H new ATOM 0 HE ARG A 48 -24.265 -9.372 7.456 1.00 63.24 H new ATOM 0 HH11 ARG A 48 -21.798 -7.785 5.456 1.00 60.13 H new ATOM 0 HH12 ARG A 48 -22.914 -7.465 4.125 1.00 60.13 H new ATOM 0 HH21 ARG A 48 -25.697 -8.890 5.758 1.00 22.52 H new ATOM 0 HH22 ARG A 48 -25.106 -8.088 4.298 1.00 22.52 H new ATOM 811 N PRO A 49 -19.406 -11.774 6.301 1.00 43.44 N ATOM 812 CA PRO A 49 -19.276 -11.809 4.861 1.00 61.14 C ATOM 813 C PRO A 49 -19.716 -10.445 4.353 1.00 12.40 C ATOM 814 O PRO A 49 -20.901 -10.100 4.380 1.00 12.21 O ATOM 815 CB PRO A 49 -20.250 -12.901 4.413 1.00 62.21 C ATOM 816 CG PRO A 49 -20.508 -13.711 5.635 1.00 43.10 C ATOM 817 CD PRO A 49 -20.355 -12.777 6.800 1.00 35.22 C ATOM 0 HA PRO A 49 -18.270 -12.015 4.496 1.00 61.14 H new ATOM 0 HB2 PRO A 49 -21.172 -12.471 4.022 1.00 62.21 H new ATOM 0 HB3 PRO A 49 -19.821 -13.511 3.618 1.00 62.21 H new ATOM 0 HG2 PRO A 49 -21.509 -14.142 5.611 1.00 43.10 H new ATOM 0 HG3 PRO A 49 -19.805 -14.541 5.707 1.00 43.10 H new ATOM 0 HD2 PRO A 49 -21.306 -12.326 7.083 1.00 35.22 H new ATOM 0 HD3 PRO A 49 -19.972 -13.291 7.681 1.00 35.22 H new ATOM 825 N PHE A 50 -18.764 -9.657 4.006 1.00 43.24 N ATOM 826 CA PHE A 50 -18.963 -8.283 3.693 1.00 45.22 C ATOM 827 C PHE A 50 -17.986 -7.958 2.601 1.00 61.33 C ATOM 828 O PHE A 50 -16.960 -8.646 2.492 1.00 32.12 O ATOM 829 CB PHE A 50 -18.647 -7.480 4.983 1.00 0.20 C ATOM 830 CG PHE A 50 -18.898 -5.999 4.945 1.00 52.03 C ATOM 831 CD1 PHE A 50 -20.138 -5.489 5.278 1.00 12.33 C ATOM 832 CD2 PHE A 50 -17.888 -5.118 4.602 1.00 20.45 C ATOM 833 CE1 PHE A 50 -20.366 -4.131 5.264 1.00 55.23 C ATOM 834 CE2 PHE A 50 -18.110 -3.761 4.588 1.00 52.51 C ATOM 835 CZ PHE A 50 -19.350 -3.267 4.918 1.00 33.25 C ATOM 0 H PHE A 50 -17.792 -9.957 3.929 1.00 43.24 H new ATOM 0 HA PHE A 50 -19.975 -8.047 3.364 1.00 45.22 H new ATOM 0 HB2 PHE A 50 -19.236 -7.902 5.797 1.00 0.20 H new ATOM 0 HB3 PHE A 50 -17.598 -7.639 5.232 1.00 0.20 H new ATOM 0 HD1 PHE A 50 -20.937 -6.162 5.552 1.00 12.33 H new ATOM 0 HD2 PHE A 50 -16.912 -5.501 4.342 1.00 20.45 H new ATOM 0 HE1 PHE A 50 -21.340 -3.744 5.524 1.00 55.23 H new ATOM 0 HE2 PHE A 50 -17.312 -3.085 4.318 1.00 52.51 H new ATOM 0 HZ PHE A 50 -19.528 -2.202 4.906 1.00 33.25 H new ATOM 845 N ARG A 51 -18.288 -6.961 1.794 1.00 1.52 N ATOM 846 CA ARG A 51 -17.414 -6.569 0.720 1.00 22.43 C ATOM 847 C ARG A 51 -16.057 -6.174 1.222 1.00 24.13 C ATOM 848 O ARG A 51 -15.906 -5.418 2.193 1.00 44.54 O ATOM 849 CB ARG A 51 -18.014 -5.467 -0.143 1.00 75.42 C ATOM 850 CG ARG A 51 -19.126 -5.925 -1.069 1.00 73.33 C ATOM 851 CD ARG A 51 -18.604 -6.900 -2.114 1.00 54.13 C ATOM 852 NE ARG A 51 -19.633 -7.257 -3.084 1.00 11.40 N ATOM 853 CZ ARG A 51 -19.439 -7.971 -4.196 1.00 53.11 C ATOM 854 NH1 ARG A 51 -18.223 -8.442 -4.504 1.00 5.15 N ATOM 855 NH2 ARG A 51 -20.463 -8.205 -5.002 1.00 64.04 N ATOM 0 H ARG A 51 -19.141 -6.407 1.867 1.00 1.52 H new ATOM 0 HA ARG A 51 -17.295 -7.448 0.087 1.00 22.43 H new ATOM 0 HB2 ARG A 51 -18.401 -4.683 0.508 1.00 75.42 H new ATOM 0 HB3 ARG A 51 -17.221 -5.020 -0.742 1.00 75.42 H new ATOM 0 HG2 ARG A 51 -19.915 -6.400 -0.487 1.00 73.33 H new ATOM 0 HG3 ARG A 51 -19.570 -5.061 -1.563 1.00 73.33 H new ATOM 0 HD2 ARG A 51 -17.754 -6.456 -2.633 1.00 54.13 H new ATOM 0 HD3 ARG A 51 -18.241 -7.802 -1.621 1.00 54.13 H new ATOM 0 HE ARG A 51 -20.582 -6.934 -2.897 1.00 11.40 H new ATOM 0 HH11 ARG A 51 -17.433 -8.257 -3.886 1.00 5.15 H new ATOM 0 HH12 ARG A 51 -18.088 -8.986 -5.356 1.00 5.15 H new ATOM 0 HH21 ARG A 51 -21.387 -7.841 -4.771 1.00 64.04 H new ATOM 0 HH22 ARG A 51 -20.327 -8.749 -5.854 1.00 64.04 H new ATOM 869 N GLY A 52 -15.092 -6.739 0.616 1.00 43.13 N ATOM 870 CA GLY A 52 -13.757 -6.455 0.946 1.00 23.24 C ATOM 871 C GLY A 52 -13.188 -5.460 0.001 1.00 30.25 C ATOM 872 O GLY A 52 -13.692 -5.321 -1.130 1.00 13.24 O ATOM 0 H GLY A 52 -15.208 -7.421 -0.133 1.00 43.13 H new ATOM 0 HA2 GLY A 52 -13.702 -6.071 1.965 1.00 23.24 H new ATOM 0 HA3 GLY A 52 -13.167 -7.371 0.918 1.00 23.24 H new ATOM 876 N MET A 53 -12.173 -4.752 0.442 1.00 62.12 N ATOM 877 CA MET A 53 -11.504 -3.806 -0.361 1.00 24.02 C ATOM 878 C MET A 53 -10.771 -4.571 -1.453 1.00 60.12 C ATOM 879 O MET A 53 -9.788 -5.284 -1.194 1.00 14.23 O ATOM 880 CB MET A 53 -10.538 -2.987 0.506 1.00 2.11 C ATOM 881 CG MET A 53 -9.954 -1.801 -0.208 1.00 60.04 C ATOM 882 SD MET A 53 -8.903 -0.759 0.822 1.00 14.43 S ATOM 883 CE MET A 53 -7.484 -1.821 1.073 1.00 23.22 C ATOM 0 H MET A 53 -11.798 -4.833 1.387 1.00 62.12 H new ATOM 0 HA MET A 53 -12.202 -3.104 -0.818 1.00 24.02 H new ATOM 0 HB2 MET A 53 -11.064 -2.643 1.397 1.00 2.11 H new ATOM 0 HB3 MET A 53 -9.728 -3.633 0.844 1.00 2.11 H new ATOM 0 HG2 MET A 53 -9.373 -2.154 -1.060 1.00 60.04 H new ATOM 0 HG3 MET A 53 -10.767 -1.195 -0.607 1.00 60.04 H new ATOM 0 HE1 MET A 53 -7.127 -1.715 2.097 1.00 23.22 H new ATOM 0 HE2 MET A 53 -7.769 -2.858 0.894 1.00 23.22 H new ATOM 0 HE3 MET A 53 -6.691 -1.538 0.381 1.00 23.22 H new ATOM 893 N SER A 54 -11.296 -4.491 -2.638 1.00 42.04 N ATOM 894 CA SER A 54 -10.779 -5.215 -3.746 1.00 23.11 C ATOM 895 C SER A 54 -9.588 -4.483 -4.333 1.00 43.31 C ATOM 896 O SER A 54 -9.509 -3.272 -4.252 1.00 61.41 O ATOM 897 CB SER A 54 -11.890 -5.428 -4.754 1.00 31.43 C ATOM 898 OG SER A 54 -13.005 -6.049 -4.107 1.00 4.40 O ATOM 0 H SER A 54 -12.106 -3.912 -2.859 1.00 42.04 H new ATOM 0 HA SER A 54 -10.420 -6.195 -3.432 1.00 23.11 H new ATOM 0 HB2 SER A 54 -12.191 -4.474 -5.187 1.00 31.43 H new ATOM 0 HB3 SER A 54 -11.537 -6.053 -5.574 1.00 31.43 H new ATOM 0 HG SER A 54 -13.726 -6.186 -4.757 1.00 4.40 H new ATOM 904 N GLU A 55 -8.698 -5.236 -4.928 1.00 42.02 N ATOM 905 CA GLU A 55 -7.405 -4.811 -5.427 1.00 75.23 C ATOM 906 C GLU A 55 -7.440 -3.473 -6.205 1.00 20.24 C ATOM 907 O GLU A 55 -6.589 -2.601 -5.982 1.00 4.22 O ATOM 908 CB GLU A 55 -6.962 -5.925 -6.317 1.00 1.13 C ATOM 909 CG GLU A 55 -5.626 -5.805 -6.922 1.00 42.33 C ATOM 910 CD GLU A 55 -5.423 -6.925 -7.884 1.00 63.12 C ATOM 911 OE1 GLU A 55 -5.981 -6.856 -9.009 1.00 15.31 O ATOM 912 OE2 GLU A 55 -4.780 -7.917 -7.532 1.00 72.11 O ATOM 0 H GLU A 55 -8.864 -6.229 -5.090 1.00 42.02 H new ATOM 0 HA GLU A 55 -6.725 -4.618 -4.597 1.00 75.23 H new ATOM 0 HB2 GLU A 55 -6.992 -6.850 -5.742 1.00 1.13 H new ATOM 0 HB3 GLU A 55 -7.690 -6.026 -7.121 1.00 1.13 H new ATOM 0 HG2 GLU A 55 -5.530 -4.848 -7.434 1.00 42.33 H new ATOM 0 HG3 GLU A 55 -4.859 -5.831 -6.148 1.00 42.33 H new ATOM 919 N GLU A 56 -8.427 -3.299 -7.068 1.00 52.42 N ATOM 920 CA GLU A 56 -8.532 -2.088 -7.854 1.00 53.11 C ATOM 921 C GLU A 56 -8.836 -0.875 -6.965 1.00 55.25 C ATOM 922 O GLU A 56 -8.173 0.166 -7.074 1.00 1.34 O ATOM 923 CB GLU A 56 -9.584 -2.252 -8.935 1.00 52.12 C ATOM 924 CG GLU A 56 -9.811 -1.021 -9.774 1.00 54.14 C ATOM 925 CD GLU A 56 -10.843 -1.254 -10.827 1.00 34.41 C ATOM 926 OE1 GLU A 56 -12.031 -1.420 -10.476 1.00 5.52 O ATOM 927 OE2 GLU A 56 -10.481 -1.322 -12.023 1.00 34.33 O ATOM 0 H GLU A 56 -9.165 -3.982 -7.240 1.00 52.42 H new ATOM 0 HA GLU A 56 -7.571 -1.907 -8.335 1.00 53.11 H new ATOM 0 HB2 GLU A 56 -9.291 -3.073 -9.589 1.00 52.12 H new ATOM 0 HB3 GLU A 56 -10.526 -2.537 -8.468 1.00 52.12 H new ATOM 0 HG2 GLU A 56 -10.124 -0.197 -9.133 1.00 54.14 H new ATOM 0 HG3 GLU A 56 -8.874 -0.722 -10.243 1.00 54.14 H new ATOM 934 N GLU A 57 -9.803 -1.015 -6.067 1.00 43.35 N ATOM 935 CA GLU A 57 -10.160 0.071 -5.175 1.00 71.23 C ATOM 936 C GLU A 57 -9.029 0.282 -4.158 1.00 60.14 C ATOM 937 O GLU A 57 -8.812 1.398 -3.681 1.00 44.25 O ATOM 938 CB GLU A 57 -11.497 -0.193 -4.482 1.00 30.01 C ATOM 939 CG GLU A 57 -11.369 -1.031 -3.272 1.00 31.23 C ATOM 940 CD GLU A 57 -12.672 -1.421 -2.665 1.00 72.12 C ATOM 941 OE1 GLU A 57 -13.220 -0.657 -1.861 1.00 32.20 O ATOM 942 OE2 GLU A 57 -13.165 -2.521 -2.968 1.00 43.41 O ATOM 0 H GLU A 57 -10.349 -1.867 -5.940 1.00 43.35 H new ATOM 0 HA GLU A 57 -10.286 0.984 -5.757 1.00 71.23 H new ATOM 0 HB2 GLU A 57 -11.952 0.759 -4.210 1.00 30.01 H new ATOM 0 HB3 GLU A 57 -12.173 -0.681 -5.184 1.00 30.01 H new ATOM 0 HG2 GLU A 57 -10.813 -1.934 -3.525 1.00 31.23 H new ATOM 0 HG3 GLU A 57 -10.781 -0.492 -2.530 1.00 31.23 H new ATOM 949 N VAL A 58 -8.280 -0.805 -3.878 1.00 32.53 N ATOM 950 CA VAL A 58 -7.142 -0.767 -3.019 1.00 3.53 C ATOM 951 C VAL A 58 -6.119 0.195 -3.590 1.00 1.11 C ATOM 952 O VAL A 58 -5.725 1.155 -2.932 1.00 65.13 O ATOM 953 CB VAL A 58 -6.509 -2.183 -2.864 1.00 61.12 C ATOM 954 CG1 VAL A 58 -5.151 -2.102 -2.247 1.00 22.34 C ATOM 955 CG2 VAL A 58 -7.399 -3.090 -2.031 1.00 43.43 C ATOM 0 H VAL A 58 -8.474 -1.730 -4.260 1.00 32.53 H new ATOM 0 HA VAL A 58 -7.460 -0.430 -2.032 1.00 3.53 H new ATOM 0 HB VAL A 58 -6.413 -2.607 -3.864 1.00 61.12 H new ATOM 0 HG11 VAL A 58 -4.734 -3.105 -2.151 1.00 22.34 H new ATOM 0 HG12 VAL A 58 -4.500 -1.497 -2.878 1.00 22.34 H new ATOM 0 HG13 VAL A 58 -5.226 -1.645 -1.260 1.00 22.34 H new ATOM 0 HG21 VAL A 58 -6.934 -4.071 -1.939 1.00 43.43 H new ATOM 0 HG22 VAL A 58 -7.533 -2.657 -1.040 1.00 43.43 H new ATOM 0 HG23 VAL A 58 -8.370 -3.193 -2.516 1.00 43.43 H new ATOM 965 N PHE A 59 -5.750 -0.035 -4.846 1.00 73.04 N ATOM 966 CA PHE A 59 -4.787 0.803 -5.527 1.00 32.20 C ATOM 967 C PHE A 59 -5.303 2.231 -5.624 1.00 33.23 C ATOM 968 O PHE A 59 -4.546 3.178 -5.465 1.00 2.32 O ATOM 969 CB PHE A 59 -4.459 0.239 -6.920 1.00 51.42 C ATOM 970 CG PHE A 59 -3.444 1.055 -7.677 1.00 25.44 C ATOM 971 CD1 PHE A 59 -2.104 0.970 -7.364 1.00 72.25 C ATOM 972 CD2 PHE A 59 -3.836 1.921 -8.685 1.00 63.21 C ATOM 973 CE1 PHE A 59 -1.168 1.728 -8.038 1.00 50.42 C ATOM 974 CE2 PHE A 59 -2.904 2.685 -9.361 1.00 41.51 C ATOM 975 CZ PHE A 59 -1.570 2.587 -9.037 1.00 32.33 C ATOM 0 H PHE A 59 -6.111 -0.803 -5.411 1.00 73.04 H new ATOM 0 HA PHE A 59 -3.865 0.811 -4.946 1.00 32.20 H new ATOM 0 HB2 PHE A 59 -4.086 -0.780 -6.812 1.00 51.42 H new ATOM 0 HB3 PHE A 59 -5.377 0.182 -7.505 1.00 51.42 H new ATOM 0 HD1 PHE A 59 -1.782 0.301 -6.580 1.00 72.25 H new ATOM 0 HD2 PHE A 59 -4.881 2.000 -8.945 1.00 63.21 H new ATOM 0 HE1 PHE A 59 -0.122 1.648 -7.782 1.00 50.42 H new ATOM 0 HE2 PHE A 59 -3.222 3.359 -10.143 1.00 41.51 H new ATOM 0 HZ PHE A 59 -0.840 3.182 -9.565 1.00 32.33 H new ATOM 985 N THR A 60 -6.600 2.366 -5.824 1.00 72.40 N ATOM 986 CA THR A 60 -7.247 3.601 -5.953 1.00 60.23 C ATOM 987 C THR A 60 -7.080 4.490 -4.706 1.00 4.45 C ATOM 988 O THR A 60 -6.654 5.629 -4.829 1.00 1.32 O ATOM 989 CB THR A 60 -8.711 3.334 -6.250 1.00 15.42 C ATOM 990 OG1 THR A 60 -8.837 2.722 -7.549 1.00 13.10 O ATOM 991 CG2 THR A 60 -9.496 4.579 -6.190 1.00 1.53 C ATOM 0 H THR A 60 -7.232 1.569 -5.900 1.00 72.40 H new ATOM 0 HA THR A 60 -6.790 4.158 -6.771 1.00 60.23 H new ATOM 0 HB THR A 60 -9.103 2.655 -5.493 1.00 15.42 H new ATOM 0 HG1 THR A 60 -8.736 1.751 -7.464 1.00 13.10 H new ATOM 0 HG21 THR A 60 -10.542 4.361 -6.407 1.00 1.53 H new ATOM 0 HG22 THR A 60 -9.415 5.013 -5.193 1.00 1.53 H new ATOM 0 HG23 THR A 60 -9.113 5.286 -6.926 1.00 1.53 H new ATOM 999 N GLU A 61 -7.348 3.960 -3.514 1.00 22.32 N ATOM 1000 CA GLU A 61 -7.264 4.770 -2.317 1.00 72.14 C ATOM 1001 C GLU A 61 -5.832 5.164 -2.026 1.00 44.44 C ATOM 1002 O GLU A 61 -5.566 6.248 -1.522 1.00 44.50 O ATOM 1003 CB GLU A 61 -7.885 4.047 -1.148 1.00 12.03 C ATOM 1004 CG GLU A 61 -9.382 4.000 -1.243 1.00 24.23 C ATOM 1005 CD GLU A 61 -10.006 5.360 -1.039 1.00 24.12 C ATOM 1006 OE1 GLU A 61 -10.176 6.119 -2.017 1.00 11.21 O ATOM 1007 OE2 GLU A 61 -10.342 5.691 0.118 1.00 63.24 O ATOM 0 H GLU A 61 -7.620 2.989 -3.360 1.00 22.32 H new ATOM 0 HA GLU A 61 -7.826 5.689 -2.483 1.00 72.14 H new ATOM 0 HB2 GLU A 61 -7.493 3.031 -1.101 1.00 12.03 H new ATOM 0 HB3 GLU A 61 -7.597 4.543 -0.221 1.00 12.03 H new ATOM 0 HG2 GLU A 61 -9.671 3.612 -2.220 1.00 24.23 H new ATOM 0 HG3 GLU A 61 -9.771 3.307 -0.497 1.00 24.23 H new ATOM 1014 N VAL A 62 -4.915 4.294 -2.393 1.00 22.40 N ATOM 1015 CA VAL A 62 -3.500 4.545 -2.221 1.00 25.25 C ATOM 1016 C VAL A 62 -3.013 5.597 -3.242 1.00 31.34 C ATOM 1017 O VAL A 62 -2.236 6.496 -2.907 1.00 40.35 O ATOM 1018 CB VAL A 62 -2.697 3.235 -2.367 1.00 55.31 C ATOM 1019 CG1 VAL A 62 -1.237 3.460 -2.087 1.00 13.35 C ATOM 1020 CG2 VAL A 62 -3.243 2.184 -1.424 1.00 70.25 C ATOM 0 H VAL A 62 -5.130 3.393 -2.819 1.00 22.40 H new ATOM 0 HA VAL A 62 -3.337 4.937 -1.217 1.00 25.25 H new ATOM 0 HB VAL A 62 -2.800 2.889 -3.395 1.00 55.31 H new ATOM 0 HG11 VAL A 62 -0.696 2.520 -2.197 1.00 13.35 H new ATOM 0 HG12 VAL A 62 -0.840 4.192 -2.791 1.00 13.35 H new ATOM 0 HG13 VAL A 62 -1.115 3.832 -1.070 1.00 13.35 H new ATOM 0 HG21 VAL A 62 -2.670 1.263 -1.534 1.00 70.25 H new ATOM 0 HG22 VAL A 62 -3.163 2.540 -0.397 1.00 70.25 H new ATOM 0 HG23 VAL A 62 -4.289 1.991 -1.661 1.00 70.25 H new ATOM 1030 N ALA A 63 -3.507 5.500 -4.468 1.00 74.32 N ATOM 1031 CA ALA A 63 -3.188 6.473 -5.519 1.00 41.35 C ATOM 1032 C ALA A 63 -3.798 7.822 -5.177 1.00 35.13 C ATOM 1033 O ALA A 63 -3.259 8.866 -5.501 1.00 32.43 O ATOM 1034 CB ALA A 63 -3.686 5.989 -6.877 1.00 11.12 C ATOM 0 H ALA A 63 -4.135 4.754 -4.767 1.00 74.32 H new ATOM 0 HA ALA A 63 -2.105 6.579 -5.577 1.00 41.35 H new ATOM 0 HB1 ALA A 63 -3.438 6.727 -7.640 1.00 11.12 H new ATOM 0 HB2 ALA A 63 -3.210 5.040 -7.122 1.00 11.12 H new ATOM 0 HB3 ALA A 63 -4.767 5.854 -6.841 1.00 11.12 H new ATOM 1040 N ASN A 64 -4.933 7.771 -4.542 1.00 60.42 N ATOM 1041 CA ASN A 64 -5.633 8.938 -4.038 1.00 22.14 C ATOM 1042 C ASN A 64 -4.910 9.545 -2.850 1.00 71.44 C ATOM 1043 O ASN A 64 -4.946 10.762 -2.636 1.00 34.41 O ATOM 1044 CB ASN A 64 -7.059 8.532 -3.690 1.00 43.01 C ATOM 1045 CG ASN A 64 -7.729 9.335 -2.596 1.00 61.41 C ATOM 1046 OD1 ASN A 64 -8.318 10.403 -2.832 1.00 33.15 O ATOM 1047 ND2 ASN A 64 -7.699 8.796 -1.408 1.00 64.42 N ATOM 0 H ASN A 64 -5.419 6.895 -4.350 1.00 60.42 H new ATOM 0 HA ASN A 64 -5.659 9.712 -4.805 1.00 22.14 H new ATOM 0 HB2 ASN A 64 -7.667 8.606 -4.592 1.00 43.01 H new ATOM 0 HB3 ASN A 64 -7.055 7.483 -3.393 1.00 43.01 H new ATOM 0 HD21 ASN A 64 -8.172 9.253 -0.628 1.00 64.42 H new ATOM 0 HD22 ASN A 64 -7.203 7.917 -1.259 1.00 64.42 H new ATOM 1054 N LEU A 65 -4.236 8.701 -2.099 1.00 55.24 N ATOM 1055 CA LEU A 65 -3.501 9.117 -0.939 1.00 11.22 C ATOM 1056 C LEU A 65 -2.274 9.915 -1.394 1.00 31.35 C ATOM 1057 O LEU A 65 -2.115 11.096 -1.078 1.00 42.20 O ATOM 1058 CB LEU A 65 -2.986 7.889 -0.190 1.00 34.11 C ATOM 1059 CG LEU A 65 -2.816 8.002 1.321 1.00 43.50 C ATOM 1060 CD1 LEU A 65 -2.968 9.399 1.804 1.00 70.32 C ATOM 1061 CD2 LEU A 65 -3.809 7.175 1.998 1.00 72.32 C ATOM 0 H LEU A 65 -4.187 7.699 -2.284 1.00 55.24 H new ATOM 0 HA LEU A 65 -4.152 9.713 -0.299 1.00 11.22 H new ATOM 0 HB2 LEU A 65 -3.669 7.063 -0.390 1.00 34.11 H new ATOM 0 HB3 LEU A 65 -2.021 7.616 -0.617 1.00 34.11 H new ATOM 0 HG LEU A 65 -1.805 7.664 1.549 1.00 43.50 H new ATOM 0 HD11 LEU A 65 -2.838 9.426 2.886 1.00 70.32 H new ATOM 0 HD12 LEU A 65 -2.216 10.031 1.332 1.00 70.32 H new ATOM 0 HD13 LEU A 65 -3.962 9.766 1.549 1.00 70.32 H new ATOM 0 HD21 LEU A 65 -3.680 7.262 3.077 1.00 72.32 H new ATOM 0 HD22 LEU A 65 -4.809 7.510 1.724 1.00 72.32 H new ATOM 0 HD23 LEU A 65 -3.680 6.135 1.700 1.00 72.32 H new ATOM 1073 N PHE A 66 -1.454 9.261 -2.197 1.00 21.14 N ATOM 1074 CA PHE A 66 -0.177 9.799 -2.644 1.00 32.13 C ATOM 1075 C PHE A 66 -0.320 10.381 -4.027 1.00 1.00 C ATOM 1076 O PHE A 66 0.591 10.280 -4.855 1.00 52.52 O ATOM 1077 CB PHE A 66 0.850 8.668 -2.683 1.00 21.34 C ATOM 1078 CG PHE A 66 0.958 7.917 -1.388 1.00 73.02 C ATOM 1079 CD1 PHE A 66 1.176 8.586 -0.196 1.00 22.25 C ATOM 1080 CD2 PHE A 66 0.835 6.542 -1.365 1.00 12.42 C ATOM 1081 CE1 PHE A 66 1.263 7.899 0.990 1.00 52.11 C ATOM 1082 CE2 PHE A 66 0.927 5.849 -0.180 1.00 11.13 C ATOM 1083 CZ PHE A 66 1.141 6.530 0.998 1.00 11.24 C ATOM 0 H PHE A 66 -1.656 8.330 -2.563 1.00 21.14 H new ATOM 0 HA PHE A 66 0.147 10.581 -1.957 1.00 32.13 H new ATOM 0 HB2 PHE A 66 0.582 7.971 -3.477 1.00 21.34 H new ATOM 0 HB3 PHE A 66 1.826 9.082 -2.937 1.00 21.34 H new ATOM 0 HD1 PHE A 66 1.279 9.661 -0.199 1.00 22.25 H new ATOM 0 HD2 PHE A 66 0.665 6.005 -2.286 1.00 12.42 H new ATOM 0 HE1 PHE A 66 1.427 8.433 1.914 1.00 52.11 H new ATOM 0 HE2 PHE A 66 0.832 4.773 -0.173 1.00 11.13 H new ATOM 0 HZ PHE A 66 1.213 5.988 1.929 1.00 11.24 H new ATOM 1093 N ARG A 67 -1.429 11.035 -4.250 1.00 71.25 N ATOM 1094 CA ARG A 67 -1.737 11.616 -5.516 1.00 54.33 C ATOM 1095 C ARG A 67 -0.694 12.663 -5.909 1.00 12.24 C ATOM 1096 O ARG A 67 -0.369 13.588 -5.135 1.00 62.30 O ATOM 1097 CB ARG A 67 -3.152 12.187 -5.504 1.00 31.12 C ATOM 1098 CG ARG A 67 -3.409 13.249 -4.449 1.00 54.04 C ATOM 1099 CD ARG A 67 -4.865 13.650 -4.436 1.00 12.31 C ATOM 1100 NE ARG A 67 -5.142 14.686 -3.442 1.00 31.32 N ATOM 1101 CZ ARG A 67 -6.262 14.775 -2.727 1.00 51.23 C ATOM 1102 NH1 ARG A 67 -7.207 13.848 -2.846 1.00 14.21 N ATOM 1103 NH2 ARG A 67 -6.433 15.791 -1.899 1.00 54.23 N ATOM 0 H ARG A 67 -2.150 11.177 -3.543 1.00 71.25 H new ATOM 0 HA ARG A 67 -1.702 10.838 -6.278 1.00 54.33 H new ATOM 0 HB2 ARG A 67 -3.364 12.613 -6.485 1.00 31.12 H new ATOM 0 HB3 ARG A 67 -3.856 11.369 -5.353 1.00 31.12 H new ATOM 0 HG2 ARG A 67 -3.123 12.870 -3.468 1.00 54.04 H new ATOM 0 HG3 ARG A 67 -2.788 14.123 -4.647 1.00 54.04 H new ATOM 0 HD2 ARG A 67 -5.150 14.011 -5.424 1.00 12.31 H new ATOM 0 HD3 ARG A 67 -5.480 12.774 -4.227 1.00 12.31 H new ATOM 0 HE ARG A 67 -4.424 15.393 -3.285 1.00 31.32 H new ATOM 0 HH11 ARG A 67 -7.076 13.065 -3.487 1.00 14.21 H new ATOM 0 HH12 ARG A 67 -8.064 13.919 -2.297 1.00 14.21 H new ATOM 0 HH21 ARG A 67 -5.709 16.503 -1.809 1.00 54.23 H new ATOM 0 HH22 ARG A 67 -7.289 15.863 -1.350 1.00 54.23 H new ATOM 1117 N GLY A 68 -0.142 12.482 -7.072 1.00 30.51 N ATOM 1118 CA GLY A 68 0.891 13.351 -7.549 1.00 23.30 C ATOM 1119 C GLY A 68 2.228 12.662 -7.512 1.00 15.02 C ATOM 1120 O GLY A 68 3.061 12.855 -8.394 1.00 61.01 O ATOM 0 H GLY A 68 -0.394 11.731 -7.714 1.00 30.51 H new ATOM 0 HA2 GLY A 68 0.667 13.665 -8.568 1.00 23.30 H new ATOM 0 HA3 GLY A 68 0.925 14.253 -6.938 1.00 23.30 H new ATOM 1124 N GLN A 69 2.438 11.855 -6.493 1.00 40.30 N ATOM 1125 CA GLN A 69 3.651 11.097 -6.350 1.00 31.24 C ATOM 1126 C GLN A 69 3.489 9.767 -7.062 1.00 45.22 C ATOM 1127 O GLN A 69 3.435 8.695 -6.440 1.00 14.20 O ATOM 1128 CB GLN A 69 3.940 10.875 -4.877 1.00 43.45 C ATOM 1129 CG GLN A 69 3.967 12.156 -4.076 1.00 40.40 C ATOM 1130 CD GLN A 69 5.049 13.115 -4.523 1.00 24.30 C ATOM 1131 OE1 GLN A 69 6.112 12.707 -5.006 1.00 51.22 O ATOM 1132 NE2 GLN A 69 4.796 14.382 -4.376 1.00 72.12 N ATOM 0 H GLN A 69 1.765 11.710 -5.740 1.00 40.30 H new ATOM 0 HA GLN A 69 4.486 11.641 -6.791 1.00 31.24 H new ATOM 0 HB2 GLN A 69 3.183 10.210 -4.461 1.00 43.45 H new ATOM 0 HB3 GLN A 69 4.900 10.369 -4.774 1.00 43.45 H new ATOM 0 HG2 GLN A 69 2.998 12.648 -4.157 1.00 40.40 H new ATOM 0 HG3 GLN A 69 4.115 11.916 -3.023 1.00 40.40 H new ATOM 0 HE21 GLN A 69 3.908 14.681 -3.974 1.00 72.12 H new ATOM 0 HE22 GLN A 69 5.486 15.076 -4.663 1.00 72.12 H new ATOM 1141 N GLU A 70 3.429 9.841 -8.371 1.00 1.34 N ATOM 1142 CA GLU A 70 3.172 8.694 -9.211 1.00 20.24 C ATOM 1143 C GLU A 70 4.340 7.733 -9.218 1.00 31.45 C ATOM 1144 O GLU A 70 4.183 6.567 -9.557 1.00 45.00 O ATOM 1145 CB GLU A 70 2.782 9.135 -10.608 1.00 4.42 C ATOM 1146 CG GLU A 70 1.549 10.021 -10.609 1.00 64.01 C ATOM 1147 CD GLU A 70 1.151 10.461 -11.976 1.00 25.32 C ATOM 1148 OE1 GLU A 70 1.736 11.431 -12.487 1.00 70.24 O ATOM 1149 OE2 GLU A 70 0.231 9.859 -12.563 1.00 43.22 O ATOM 0 H GLU A 70 3.559 10.710 -8.889 1.00 1.34 H new ATOM 0 HA GLU A 70 2.328 8.147 -8.791 1.00 20.24 H new ATOM 0 HB2 GLU A 70 3.614 9.673 -11.062 1.00 4.42 H new ATOM 0 HB3 GLU A 70 2.596 8.256 -11.225 1.00 4.42 H new ATOM 0 HG2 GLU A 70 0.720 9.482 -10.151 1.00 64.01 H new ATOM 0 HG3 GLU A 70 1.738 10.899 -9.991 1.00 64.01 H new ATOM 1156 N ASP A 71 5.498 8.227 -8.780 1.00 54.35 N ATOM 1157 CA ASP A 71 6.711 7.415 -8.618 1.00 31.22 C ATOM 1158 C ASP A 71 6.422 6.218 -7.744 1.00 21.13 C ATOM 1159 O ASP A 71 6.789 5.082 -8.057 1.00 61.03 O ATOM 1160 CB ASP A 71 7.814 8.212 -7.938 1.00 13.51 C ATOM 1161 CG ASP A 71 8.326 9.389 -8.723 1.00 22.23 C ATOM 1162 OD1 ASP A 71 9.231 9.200 -9.569 1.00 41.11 O ATOM 1163 OD2 ASP A 71 7.855 10.527 -8.487 1.00 31.25 O ATOM 0 H ASP A 71 5.625 9.207 -8.525 1.00 54.35 H new ATOM 0 HA ASP A 71 7.029 7.106 -9.614 1.00 31.22 H new ATOM 0 HB2 ASP A 71 7.444 8.569 -6.977 1.00 13.51 H new ATOM 0 HB3 ASP A 71 8.649 7.543 -7.729 1.00 13.51 H new ATOM 1168 N LEU A 72 5.719 6.489 -6.664 1.00 24.02 N ATOM 1169 CA LEU A 72 5.366 5.498 -5.670 1.00 45.41 C ATOM 1170 C LEU A 72 4.302 4.574 -6.224 1.00 75.04 C ATOM 1171 O LEU A 72 4.321 3.361 -6.012 1.00 62.51 O ATOM 1172 CB LEU A 72 4.788 6.211 -4.447 1.00 31.32 C ATOM 1173 CG LEU A 72 5.645 7.311 -3.813 1.00 32.21 C ATOM 1174 CD1 LEU A 72 4.853 8.019 -2.744 1.00 22.34 C ATOM 1175 CD2 LEU A 72 6.933 6.747 -3.234 1.00 73.50 C ATOM 0 H LEU A 72 5.370 7.423 -6.449 1.00 24.02 H new ATOM 0 HA LEU A 72 6.253 4.925 -5.402 1.00 45.41 H new ATOM 0 HB2 LEU A 72 3.831 6.649 -4.731 1.00 31.32 H new ATOM 0 HB3 LEU A 72 4.581 5.461 -3.684 1.00 31.32 H new ATOM 0 HG LEU A 72 5.919 8.024 -4.591 1.00 32.21 H new ATOM 0 HD11 LEU A 72 5.466 8.801 -2.295 1.00 22.34 H new ATOM 0 HD12 LEU A 72 3.962 8.465 -3.186 1.00 22.34 H new ATOM 0 HD13 LEU A 72 4.558 7.304 -1.976 1.00 22.34 H new ATOM 0 HD21 LEU A 72 7.517 7.554 -2.792 1.00 73.50 H new ATOM 0 HD22 LEU A 72 6.695 6.010 -2.467 1.00 73.50 H new ATOM 0 HD23 LEU A 72 7.511 6.273 -4.027 1.00 73.50 H new ATOM 1187 N LEU A 73 3.440 5.160 -7.001 1.00 63.32 N ATOM 1188 CA LEU A 73 2.242 4.502 -7.484 1.00 0.42 C ATOM 1189 C LEU A 73 2.588 3.470 -8.551 1.00 21.21 C ATOM 1190 O LEU A 73 2.025 2.371 -8.562 1.00 0.42 O ATOM 1191 CB LEU A 73 1.235 5.548 -8.005 1.00 23.45 C ATOM 1192 CG LEU A 73 0.900 6.713 -7.032 1.00 53.04 C ATOM 1193 CD1 LEU A 73 -0.116 7.668 -7.618 1.00 32.34 C ATOM 1194 CD2 LEU A 73 0.420 6.213 -5.682 1.00 50.04 C ATOM 0 H LEU A 73 3.542 6.121 -7.327 1.00 63.32 H new ATOM 0 HA LEU A 73 1.772 3.969 -6.658 1.00 0.42 H new ATOM 0 HB2 LEU A 73 1.628 5.973 -8.928 1.00 23.45 H new ATOM 0 HB3 LEU A 73 0.307 5.035 -8.260 1.00 23.45 H new ATOM 0 HG LEU A 73 1.834 7.254 -6.882 1.00 53.04 H new ATOM 0 HD11 LEU A 73 -0.320 8.466 -6.904 1.00 32.34 H new ATOM 0 HD12 LEU A 73 0.277 8.098 -8.539 1.00 32.34 H new ATOM 0 HD13 LEU A 73 -1.039 7.130 -7.834 1.00 32.34 H new ATOM 0 HD21 LEU A 73 0.198 7.063 -5.037 1.00 50.04 H new ATOM 0 HD22 LEU A 73 -0.481 5.614 -5.815 1.00 50.04 H new ATOM 0 HD23 LEU A 73 1.197 5.602 -5.223 1.00 50.04 H new ATOM 1206 N SER A 74 3.551 3.815 -9.407 1.00 44.21 N ATOM 1207 CA SER A 74 4.031 2.922 -10.453 1.00 64.33 C ATOM 1208 C SER A 74 4.532 1.593 -9.853 1.00 44.03 C ATOM 1209 O SER A 74 4.212 0.500 -10.355 1.00 12.34 O ATOM 1210 CB SER A 74 5.161 3.606 -11.227 1.00 3.32 C ATOM 1211 OG SER A 74 4.730 4.840 -11.796 1.00 53.31 O ATOM 0 H SER A 74 4.018 4.722 -9.392 1.00 44.21 H new ATOM 0 HA SER A 74 3.206 2.699 -11.130 1.00 64.33 H new ATOM 0 HB2 SER A 74 6.004 3.786 -10.560 1.00 3.32 H new ATOM 0 HB3 SER A 74 5.516 2.944 -12.017 1.00 3.32 H new ATOM 0 HG SER A 74 4.586 5.496 -11.083 1.00 53.31 H new ATOM 1217 N GLU A 75 5.279 1.691 -8.762 1.00 74.12 N ATOM 1218 CA GLU A 75 5.808 0.519 -8.104 1.00 11.12 C ATOM 1219 C GLU A 75 4.757 -0.221 -7.322 1.00 44.52 C ATOM 1220 O GLU A 75 4.712 -1.443 -7.368 1.00 12.43 O ATOM 1221 CB GLU A 75 7.001 0.850 -7.227 1.00 74.24 C ATOM 1222 CG GLU A 75 8.258 1.113 -8.014 1.00 4.15 C ATOM 1223 CD GLU A 75 8.648 -0.081 -8.845 1.00 3.21 C ATOM 1224 OE1 GLU A 75 9.043 -1.115 -8.269 1.00 13.54 O ATOM 1225 OE2 GLU A 75 8.565 -0.008 -10.090 1.00 41.55 O ATOM 0 H GLU A 75 5.529 2.575 -8.318 1.00 74.12 H new ATOM 0 HA GLU A 75 6.152 -0.145 -8.897 1.00 11.12 H new ATOM 0 HB2 GLU A 75 6.768 1.727 -6.622 1.00 74.24 H new ATOM 0 HB3 GLU A 75 7.177 0.025 -6.537 1.00 74.24 H new ATOM 0 HG2 GLU A 75 8.109 1.976 -8.663 1.00 4.15 H new ATOM 0 HG3 GLU A 75 9.070 1.364 -7.332 1.00 4.15 H new ATOM 1232 N PHE A 76 3.898 0.513 -6.629 1.00 42.43 N ATOM 1233 CA PHE A 76 2.844 -0.091 -5.818 1.00 70.03 C ATOM 1234 C PHE A 76 1.935 -0.951 -6.675 1.00 74.34 C ATOM 1235 O PHE A 76 1.682 -2.095 -6.335 1.00 23.44 O ATOM 1236 CB PHE A 76 2.058 0.986 -5.049 1.00 11.32 C ATOM 1237 CG PHE A 76 1.075 0.430 -4.052 1.00 64.11 C ATOM 1238 CD1 PHE A 76 1.521 -0.232 -2.916 1.00 24.14 C ATOM 1239 CD2 PHE A 76 -0.285 0.553 -4.255 1.00 53.13 C ATOM 1240 CE1 PHE A 76 0.627 -0.754 -2.002 1.00 25.43 C ATOM 1241 CE2 PHE A 76 -1.184 0.030 -3.346 1.00 31.10 C ATOM 1242 CZ PHE A 76 -0.727 -0.625 -2.218 1.00 51.12 C ATOM 0 H PHE A 76 3.909 1.533 -6.611 1.00 42.43 H new ATOM 0 HA PHE A 76 3.307 -0.743 -5.077 1.00 70.03 H new ATOM 0 HB2 PHE A 76 2.763 1.633 -4.527 1.00 11.32 H new ATOM 0 HB3 PHE A 76 1.522 1.610 -5.764 1.00 11.32 H new ATOM 0 HD1 PHE A 76 2.582 -0.340 -2.745 1.00 24.14 H new ATOM 0 HD2 PHE A 76 -0.650 1.064 -5.134 1.00 53.13 H new ATOM 0 HE1 PHE A 76 0.989 -1.262 -1.120 1.00 25.43 H new ATOM 0 HE2 PHE A 76 -2.245 0.133 -3.517 1.00 31.10 H new ATOM 0 HZ PHE A 76 -1.430 -1.035 -1.508 1.00 51.12 H new ATOM 1252 N GLY A 77 1.553 -0.432 -7.830 1.00 60.54 N ATOM 1253 CA GLY A 77 0.673 -1.155 -8.737 1.00 74.31 C ATOM 1254 C GLY A 77 1.270 -2.456 -9.259 1.00 25.30 C ATOM 1255 O GLY A 77 0.541 -3.361 -9.675 1.00 13.33 O ATOM 0 H GLY A 77 1.838 0.489 -8.163 1.00 60.54 H new ATOM 0 HA2 GLY A 77 -0.263 -1.375 -8.223 1.00 74.31 H new ATOM 0 HA3 GLY A 77 0.429 -0.512 -9.583 1.00 74.31 H new ATOM 1259 N GLN A 78 2.583 -2.565 -9.233 1.00 73.13 N ATOM 1260 CA GLN A 78 3.226 -3.758 -9.718 1.00 61.51 C ATOM 1261 C GLN A 78 3.744 -4.648 -8.588 1.00 34.15 C ATOM 1262 O GLN A 78 3.893 -5.852 -8.767 1.00 53.22 O ATOM 1263 CB GLN A 78 4.322 -3.437 -10.719 1.00 23.42 C ATOM 1264 CG GLN A 78 3.812 -2.723 -11.954 1.00 22.41 C ATOM 1265 CD GLN A 78 4.892 -2.502 -12.972 1.00 62.54 C ATOM 1266 OE1 GLN A 78 5.590 -1.499 -12.941 1.00 15.33 O ATOM 1267 NE2 GLN A 78 5.039 -3.418 -13.889 1.00 73.12 N ATOM 0 H GLN A 78 3.216 -1.846 -8.883 1.00 73.13 H new ATOM 0 HA GLN A 78 2.459 -4.331 -10.239 1.00 61.51 H new ATOM 0 HB2 GLN A 78 5.077 -2.818 -10.235 1.00 23.42 H new ATOM 0 HB3 GLN A 78 4.813 -4.362 -11.019 1.00 23.42 H new ATOM 0 HG2 GLN A 78 3.008 -3.307 -12.402 1.00 22.41 H new ATOM 0 HG3 GLN A 78 3.386 -1.762 -11.665 1.00 22.41 H new ATOM 0 HE21 GLN A 78 4.440 -4.243 -13.886 1.00 73.12 H new ATOM 0 HE22 GLN A 78 5.753 -3.309 -14.609 1.00 73.12 H new ATOM 1276 N PHE A 79 4.020 -4.058 -7.427 1.00 44.41 N ATOM 1277 CA PHE A 79 4.468 -4.826 -6.258 1.00 31.50 C ATOM 1278 C PHE A 79 3.309 -5.696 -5.796 1.00 24.22 C ATOM 1279 O PHE A 79 3.493 -6.781 -5.244 1.00 34.32 O ATOM 1280 CB PHE A 79 4.928 -3.876 -5.129 1.00 34.50 C ATOM 1281 CG PHE A 79 5.566 -4.575 -3.946 1.00 55.32 C ATOM 1282 CD1 PHE A 79 6.920 -4.885 -3.959 1.00 32.44 C ATOM 1283 CD2 PHE A 79 4.816 -4.923 -2.832 1.00 74.34 C ATOM 1284 CE1 PHE A 79 7.510 -5.528 -2.887 1.00 64.21 C ATOM 1285 CE2 PHE A 79 5.402 -5.567 -1.758 1.00 15.24 C ATOM 1286 CZ PHE A 79 6.750 -5.871 -1.785 1.00 45.13 C ATOM 0 H PHE A 79 3.943 -3.054 -7.267 1.00 44.41 H new ATOM 0 HA PHE A 79 5.320 -5.452 -6.522 1.00 31.50 H new ATOM 0 HB2 PHE A 79 5.640 -3.160 -5.540 1.00 34.50 H new ATOM 0 HB3 PHE A 79 4.068 -3.305 -4.778 1.00 34.50 H new ATOM 0 HD1 PHE A 79 7.519 -4.620 -4.818 1.00 32.44 H new ATOM 0 HD2 PHE A 79 3.762 -4.688 -2.803 1.00 74.34 H new ATOM 0 HE1 PHE A 79 8.564 -5.762 -2.911 1.00 64.21 H new ATOM 0 HE2 PHE A 79 4.806 -5.833 -0.897 1.00 15.24 H new ATOM 0 HZ PHE A 79 7.208 -6.375 -0.947 1.00 45.13 H new ATOM 1296 N LEU A 80 2.123 -5.192 -6.061 1.00 52.41 N ATOM 1297 CA LEU A 80 0.891 -5.869 -5.797 1.00 30.11 C ATOM 1298 C LEU A 80 0.739 -7.123 -6.683 1.00 4.44 C ATOM 1299 O LEU A 80 1.354 -7.211 -7.768 1.00 3.44 O ATOM 1300 CB LEU A 80 -0.270 -4.888 -6.001 1.00 41.24 C ATOM 1301 CG LEU A 80 -0.396 -3.797 -4.946 1.00 53.11 C ATOM 1302 CD1 LEU A 80 -1.365 -2.740 -5.397 1.00 43.33 C ATOM 1303 CD2 LEU A 80 -0.842 -4.387 -3.625 1.00 41.41 C ATOM 0 H LEU A 80 1.996 -4.270 -6.479 1.00 52.41 H new ATOM 0 HA LEU A 80 0.884 -6.217 -4.764 1.00 30.11 H new ATOM 0 HB2 LEU A 80 -0.157 -4.415 -6.977 1.00 41.24 H new ATOM 0 HB3 LEU A 80 -1.201 -5.454 -6.027 1.00 41.24 H new ATOM 0 HG LEU A 80 0.582 -3.337 -4.809 1.00 53.11 H new ATOM 0 HD11 LEU A 80 -1.443 -1.968 -4.632 1.00 43.33 H new ATOM 0 HD12 LEU A 80 -1.011 -2.295 -6.327 1.00 43.33 H new ATOM 0 HD13 LEU A 80 -2.344 -3.190 -5.560 1.00 43.33 H new ATOM 0 HD21 LEU A 80 -0.927 -3.594 -2.882 1.00 41.41 H new ATOM 0 HD22 LEU A 80 -1.810 -4.871 -3.751 1.00 41.41 H new ATOM 0 HD23 LEU A 80 -0.110 -5.122 -3.289 1.00 41.41 H new ATOM 1315 N PRO A 81 -0.095 -8.085 -6.207 1.00 65.33 N ATOM 1316 CA PRO A 81 -0.381 -9.384 -6.794 1.00 72.44 C ATOM 1317 C PRO A 81 0.017 -9.645 -8.254 1.00 21.44 C ATOM 1318 O PRO A 81 -0.495 -9.026 -9.199 1.00 35.24 O ATOM 1319 CB PRO A 81 -1.886 -9.476 -6.617 1.00 35.42 C ATOM 1320 CG PRO A 81 -2.171 -8.698 -5.358 1.00 12.34 C ATOM 1321 CD PRO A 81 -0.898 -7.973 -4.984 1.00 0.52 C ATOM 0 HA PRO A 81 0.230 -10.141 -6.303 1.00 72.44 H new ATOM 0 HB2 PRO A 81 -2.412 -9.052 -7.472 1.00 35.42 H new ATOM 0 HB3 PRO A 81 -2.211 -10.512 -6.524 1.00 35.42 H new ATOM 0 HG2 PRO A 81 -2.984 -7.990 -5.519 1.00 12.34 H new ATOM 0 HG3 PRO A 81 -2.484 -9.366 -4.555 1.00 12.34 H new ATOM 0 HD2 PRO A 81 -1.087 -6.933 -4.717 1.00 0.52 H new ATOM 0 HD3 PRO A 81 -0.403 -8.436 -4.130 1.00 0.52 H new ATOM 1329 N GLU A 82 0.972 -10.551 -8.393 1.00 64.53 N ATOM 1330 CA GLU A 82 1.394 -11.163 -9.656 1.00 23.32 C ATOM 1331 C GLU A 82 2.110 -10.272 -10.681 1.00 5.04 C ATOM 1332 O GLU A 82 2.660 -10.800 -11.644 1.00 24.51 O ATOM 1333 CB GLU A 82 0.248 -11.949 -10.305 1.00 20.44 C ATOM 1334 CG GLU A 82 -0.228 -13.121 -9.461 1.00 13.33 C ATOM 1335 CD GLU A 82 0.893 -14.081 -9.145 1.00 32.54 C ATOM 1336 OE1 GLU A 82 1.291 -14.851 -10.026 1.00 22.41 O ATOM 1337 OE2 GLU A 82 1.410 -14.061 -8.009 1.00 75.52 O ATOM 0 H GLU A 82 1.502 -10.900 -7.595 1.00 64.53 H new ATOM 0 HA GLU A 82 2.187 -11.840 -9.337 1.00 23.32 H new ATOM 0 HB2 GLU A 82 -0.590 -11.275 -10.485 1.00 20.44 H new ATOM 0 HB3 GLU A 82 0.574 -12.319 -11.277 1.00 20.44 H new ATOM 0 HG2 GLU A 82 -0.659 -12.748 -8.532 1.00 13.33 H new ATOM 0 HG3 GLU A 82 -1.021 -13.650 -9.990 1.00 13.33 H new ATOM 1344 N ALA A 83 2.154 -8.969 -10.486 1.00 61.10 N ATOM 1345 CA ALA A 83 2.780 -8.113 -11.493 1.00 31.12 C ATOM 1346 C ALA A 83 4.312 -8.237 -11.491 1.00 65.31 C ATOM 1347 O ALA A 83 4.910 -8.518 -12.523 1.00 23.54 O ATOM 1348 CB ALA A 83 2.324 -6.684 -11.355 1.00 42.13 C ATOM 0 H ALA A 83 1.779 -8.485 -9.670 1.00 61.10 H new ATOM 0 HA ALA A 83 2.448 -8.466 -12.469 1.00 31.12 H new ATOM 0 HB1 ALA A 83 2.807 -6.073 -12.117 1.00 42.13 H new ATOM 0 HB2 ALA A 83 1.242 -6.633 -11.481 1.00 42.13 H new ATOM 0 HB3 ALA A 83 2.592 -6.310 -10.367 1.00 42.13 H new ATOM 1354 N LYS A 84 4.954 -8.045 -10.339 1.00 32.45 N ATOM 1355 CA LYS A 84 6.403 -8.259 -10.242 1.00 55.33 C ATOM 1356 C LYS A 84 6.745 -9.746 -10.231 1.00 74.05 C ATOM 1357 O LYS A 84 7.882 -10.134 -10.458 1.00 22.11 O ATOM 1358 CB LYS A 84 6.950 -7.623 -8.987 1.00 50.33 C ATOM 1359 CG LYS A 84 6.894 -6.115 -8.952 1.00 3.41 C ATOM 1360 CD LYS A 84 7.814 -5.477 -9.985 1.00 2.54 C ATOM 1361 CE LYS A 84 8.011 -3.983 -9.737 1.00 32.11 C ATOM 1362 NZ LYS A 84 8.765 -3.713 -8.489 1.00 24.30 N ATOM 0 H LYS A 84 4.506 -7.747 -9.472 1.00 32.45 H new ATOM 0 HA LYS A 84 6.857 -7.797 -11.118 1.00 55.33 H new ATOM 0 HB2 LYS A 84 6.397 -8.011 -8.132 1.00 50.33 H new ATOM 0 HB3 LYS A 84 7.987 -7.935 -8.864 1.00 50.33 H new ATOM 0 HG2 LYS A 84 5.870 -5.788 -9.130 1.00 3.41 H new ATOM 0 HG3 LYS A 84 7.172 -5.767 -7.957 1.00 3.41 H new ATOM 0 HD2 LYS A 84 8.782 -5.978 -9.965 1.00 2.54 H new ATOM 0 HD3 LYS A 84 7.398 -5.627 -10.981 1.00 2.54 H new ATOM 0 HE2 LYS A 84 8.542 -3.544 -10.582 1.00 32.11 H new ATOM 0 HE3 LYS A 84 7.038 -3.495 -9.684 1.00 32.11 H new ATOM 0 HZ1 LYS A 84 9.165 -2.754 -8.526 1.00 24.30 H new ATOM 0 HZ2 LYS A 84 8.125 -3.790 -7.673 1.00 24.30 H new ATOM 0 HZ3 LYS A 84 9.535 -4.406 -8.392 1.00 24.30 H new ATOM 1376 N ARG A 85 5.765 -10.560 -9.960 1.00 51.13 N ATOM 1377 CA ARG A 85 5.973 -12.006 -9.894 1.00 13.21 C ATOM 1378 C ARG A 85 6.065 -12.605 -11.295 1.00 62.53 C ATOM 1379 O ARG A 85 5.037 -12.732 -11.998 1.00 21.03 O ATOM 1380 CB ARG A 85 4.856 -12.708 -9.114 1.00 5.34 C ATOM 1381 CG ARG A 85 4.863 -12.542 -7.583 1.00 11.10 C ATOM 1382 CD ARG A 85 4.760 -11.094 -7.114 1.00 44.44 C ATOM 1383 NE ARG A 85 4.351 -11.000 -5.702 1.00 44.41 N ATOM 1384 CZ ARG A 85 4.856 -10.162 -4.782 1.00 1.42 C ATOM 1385 NH1 ARG A 85 6.012 -9.541 -4.993 1.00 61.30 N ATOM 1386 NH2 ARG A 85 4.222 -10.007 -3.619 1.00 24.23 N ATOM 0 H ARG A 85 4.807 -10.261 -9.779 1.00 51.13 H new ATOM 0 HA ARG A 85 6.914 -12.167 -9.367 1.00 13.21 H new ATOM 0 HB2 ARG A 85 3.900 -12.344 -9.490 1.00 5.34 H new ATOM 0 HB3 ARG A 85 4.903 -13.773 -9.340 1.00 5.34 H new ATOM 0 HG2 ARG A 85 4.032 -13.109 -7.163 1.00 11.10 H new ATOM 0 HG3 ARG A 85 5.780 -12.977 -7.185 1.00 11.10 H new ATOM 0 HD2 ARG A 85 5.723 -10.601 -7.246 1.00 44.44 H new ATOM 0 HD3 ARG A 85 4.041 -10.561 -7.736 1.00 44.44 H new ATOM 0 HE ARG A 85 3.613 -11.633 -5.393 1.00 44.41 H new ATOM 0 HH11 ARG A 85 6.525 -9.699 -5.860 1.00 61.30 H new ATOM 0 HH12 ARG A 85 6.386 -8.907 -4.287 1.00 61.30 H new ATOM 0 HH21 ARG A 85 3.361 -10.523 -3.435 1.00 24.23 H new ATOM 0 HH22 ARG A 85 4.598 -9.373 -2.914 1.00 24.23 H new TER 1400 ARG A 85