USER MOD reduce.3.24.130724 H: found=0, std=0, add=925, rem=0, adj=40 USER MOD reduce.3.24.130724 removed 923 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 107 THR OG1 : rot 180:sc= 0.157 USER MOD Set 1.2: A 109 LYS NZ :NH3+ -114:sc= 0.322 (180deg=-0.141) USER MOD Set 2.1: A 92 TYR OH : rot 163:sc= -1.04 USER MOD Set 2.2: A 100 SER OG : rot 130:sc= 0 USER MOD Set 3.1: A 55 SER OG : rot -101:sc= -1.66! USER MOD Set 3.2: A 64 HIS : no HD1:sc= -2.75! C(o=-4.4!,f=-6.9!) USER MOD Set 4.1: A 35 HIS : no HD1:sc= -1 K(o=-0.55,f=-5.9!) USER MOD Set 4.2: A 39 THR OG1 : rot -149:sc= 0.45 USER MOD Single : A 1 GLY N :NH3+ -118:sc= 0.083 (180deg=0) USER MOD Single : A 2 SER OG : rot -50:sc= 0.707 USER MOD Single : A 3 SER OG : rot 29:sc= 0.445 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 25:sc= 0.421! USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 13 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 THR OG1 : rot -40:sc= 0.486 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 22 ASN : amide:sc= 0 K(o=0,f=0.62) USER MOD Single : A 23 MET CE :methyl 165:sc= -5.39! (180deg=-6.64!) USER MOD Single : A 26 GLN : amide:sc= 0 X(o=0,f=-0.38) USER MOD Single : A 27 GLN : amide:sc= -0.0499 K(o=-0.05,f=-1.8!) USER MOD Single : A 28 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 30 ASN : amide:sc= -0.598 K(o=-0.6,f=-1.7!) USER MOD Single : A 33 LYS NZ :NH3+ -113:sc= -0.565 (180deg=-2.19!) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 40 TYR OH : rot 166:sc= 1.22 USER MOD Single : A 57 LYS NZ :NH3+ -163:sc= 0.0132 (180deg=-0.103) USER MOD Single : A 59 ASN : amide:sc= -0.0393 K(o=-0.039,f=-1.3) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -158:sc= 0 (180deg=-0.0347) USER MOD Single : A 70 LYS NZ :NH3+ -148:sc= -0.0252 (180deg=-0.673) USER MOD Single : A 72 ASN : amide:sc=-0.00956 K(o=-0.0096,f=-1.4) USER MOD Single : A 75 HIS : no HD1:sc= -0.564 K(o=-0.56,f=-1.4) USER MOD Single : A 77 THR OG1 : rot -51:sc= 0.648 USER MOD Single : A 80 LYS NZ :NH3+ -160:sc= 0.00519 (180deg=0) USER MOD Single : A 81 LYS NZ :NH3+ -178:sc= 0 (180deg=-0.00293) USER MOD Single : A 84 SER OG : rot 56:sc= 1.26 USER MOD Single : A 91 TYR OH : rot 180:sc= 0 USER MOD Single : A 93 GLN : amide:sc= -2.57 K(o=-2.6,f=-1.6!) USER MOD Single : A 94 CYS SG : rot 180:sc= 0 USER MOD Single : A 95 HIS : no HE2:sc= -5.47! C(o=-5.5!,f=-12!) USER MOD Single : A 96 SER OG : rot 180:sc= -0.143 USER MOD Single : A 98 LYS NZ :NH3+ 168:sc= 0.316 (180deg=0.272) USER MOD Single : A 102 LYS NZ :NH3+ 148:sc= -0.322 (180deg=-1.07) USER MOD Single : A 103 GLN : amide:sc= -0.064 K(o=-0.064,f=-1.6!) USER MOD Single : A 106 THR OG1 : rot 180:sc=-0.00824 USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 TYR OH : rot -41:sc= 0.00805 USER MOD Single : A 113 SER OG : rot 180:sc= 0.103 USER MOD Single : A 116 SER OG : rot 9:sc= 0.634 USER MOD Single : A 117 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 14.783 -9.552 2.957 1.00 0.00 N ATOM 2 CA GLY A 1 13.403 -10.001 2.897 1.00 0.00 C ATOM 3 C GLY A 1 13.032 -10.554 1.536 1.00 0.00 C ATOM 4 O GLY A 1 13.902 -10.803 0.702 1.00 0.00 O ATOM 0 H1 GLY A 1 15.300 -10.112 3.665 1.00 0.00 H new ATOM 0 H2 GLY A 1 15.229 -9.675 2.026 1.00 0.00 H new ATOM 0 H3 GLY A 1 14.810 -8.547 3.224 1.00 0.00 H new ATOM 0 HA2 GLY A 1 13.241 -10.768 3.654 1.00 0.00 H new ATOM 0 HA3 GLY A 1 12.742 -9.169 3.140 1.00 0.00 H new ATOM 8 N SER A 2 11.736 -10.747 1.311 1.00 0.00 N ATOM 9 CA SER A 2 11.252 -11.280 0.042 1.00 0.00 C ATOM 10 C SER A 2 11.903 -12.624 -0.267 1.00 0.00 C ATOM 11 O SER A 2 12.296 -12.889 -1.403 1.00 0.00 O ATOM 12 CB SER A 2 11.534 -10.291 -1.091 1.00 0.00 C ATOM 13 OG SER A 2 10.982 -10.746 -2.314 1.00 0.00 O ATOM 0 H SER A 2 11.003 -10.543 1.990 1.00 0.00 H new ATOM 0 HA SER A 2 10.175 -11.429 0.126 1.00 0.00 H new ATOM 0 HB2 SER A 2 11.116 -9.316 -0.840 1.00 0.00 H new ATOM 0 HB3 SER A 2 12.610 -10.157 -1.202 1.00 0.00 H new ATOM 0 HG SER A 2 11.251 -11.676 -2.468 1.00 0.00 H new ATOM 19 N SER A 3 12.015 -13.469 0.753 1.00 0.00 N ATOM 20 CA SER A 3 12.622 -14.784 0.593 1.00 0.00 C ATOM 21 C SER A 3 11.552 -15.860 0.433 1.00 0.00 C ATOM 22 O SER A 3 10.693 -16.031 1.297 1.00 0.00 O ATOM 23 CB SER A 3 13.512 -15.109 1.795 1.00 0.00 C ATOM 24 OG SER A 3 12.739 -15.290 2.967 1.00 0.00 O ATOM 0 H SER A 3 11.693 -13.266 1.699 1.00 0.00 H new ATOM 0 HA SER A 3 13.234 -14.767 -0.309 1.00 0.00 H new ATOM 0 HB2 SER A 3 14.087 -16.012 1.592 1.00 0.00 H new ATOM 0 HB3 SER A 3 14.229 -14.303 1.949 1.00 0.00 H new ATOM 0 HG SER A 3 11.848 -15.618 2.724 1.00 0.00 H new ATOM 30 N GLY A 4 11.611 -16.585 -0.680 1.00 0.00 N ATOM 31 CA GLY A 4 10.643 -17.635 -0.934 1.00 0.00 C ATOM 32 C GLY A 4 9.318 -17.093 -1.434 1.00 0.00 C ATOM 33 O GLY A 4 8.521 -16.570 -0.656 1.00 0.00 O ATOM 0 H GLY A 4 12.313 -16.463 -1.410 1.00 0.00 H new ATOM 0 HA2 GLY A 4 11.049 -18.329 -1.670 1.00 0.00 H new ATOM 0 HA3 GLY A 4 10.478 -18.202 -0.018 1.00 0.00 H new ATOM 37 N SER A 5 9.083 -17.219 -2.736 1.00 0.00 N ATOM 38 CA SER A 5 7.847 -16.733 -3.339 1.00 0.00 C ATOM 39 C SER A 5 6.961 -17.895 -3.775 1.00 0.00 C ATOM 40 O SER A 5 7.410 -19.039 -3.847 1.00 0.00 O ATOM 41 CB SER A 5 8.159 -15.837 -4.541 1.00 0.00 C ATOM 42 OG SER A 5 8.385 -14.499 -4.133 1.00 0.00 O ATOM 0 H SER A 5 9.731 -17.653 -3.393 1.00 0.00 H new ATOM 0 HA SER A 5 7.311 -16.151 -2.589 1.00 0.00 H new ATOM 0 HB2 SER A 5 9.038 -16.215 -5.062 1.00 0.00 H new ATOM 0 HB3 SER A 5 7.330 -15.870 -5.248 1.00 0.00 H new ATOM 0 HG SER A 5 8.584 -13.947 -4.918 1.00 0.00 H new ATOM 48 N SER A 6 5.698 -17.593 -4.063 1.00 0.00 N ATOM 49 CA SER A 6 4.747 -18.613 -4.487 1.00 0.00 C ATOM 50 C SER A 6 3.928 -18.129 -5.680 1.00 0.00 C ATOM 51 O SER A 6 3.290 -17.079 -5.623 1.00 0.00 O ATOM 52 CB SER A 6 3.816 -18.985 -3.332 1.00 0.00 C ATOM 53 OG SER A 6 2.854 -17.969 -3.105 1.00 0.00 O ATOM 0 H SER A 6 5.311 -16.651 -4.010 1.00 0.00 H new ATOM 0 HA SER A 6 5.310 -19.496 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 6 3.311 -19.925 -3.556 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.401 -19.145 -2.426 1.00 0.00 H new ATOM 0 HG SER A 6 2.721 -17.454 -3.928 1.00 0.00 H new ATOM 59 N GLY A 7 3.950 -18.904 -6.760 1.00 0.00 N ATOM 60 CA GLY A 7 3.207 -18.538 -7.951 1.00 0.00 C ATOM 61 C GLY A 7 4.110 -18.099 -9.087 1.00 0.00 C ATOM 62 O GLY A 7 4.684 -17.010 -9.046 1.00 0.00 O ATOM 0 H GLY A 7 4.469 -19.779 -6.831 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.607 -19.388 -8.276 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.514 -17.732 -7.710 1.00 0.00 H new ATOM 66 N SER A 8 4.239 -18.946 -10.102 1.00 0.00 N ATOM 67 CA SER A 8 5.083 -18.642 -11.251 1.00 0.00 C ATOM 68 C SER A 8 4.712 -17.290 -11.854 1.00 0.00 C ATOM 69 O SER A 8 5.583 -16.476 -12.161 1.00 0.00 O ATOM 70 CB SER A 8 4.954 -19.738 -12.311 1.00 0.00 C ATOM 71 OG SER A 8 6.027 -19.683 -13.234 1.00 0.00 O ATOM 0 H SER A 8 3.769 -19.850 -10.152 1.00 0.00 H new ATOM 0 HA SER A 8 6.117 -18.598 -10.909 1.00 0.00 H new ATOM 0 HB2 SER A 8 4.935 -20.715 -11.828 1.00 0.00 H new ATOM 0 HB3 SER A 8 4.008 -19.626 -12.841 1.00 0.00 H new ATOM 0 HG SER A 8 5.922 -20.394 -13.900 1.00 0.00 H new ATOM 77 N ARG A 9 3.414 -17.059 -12.021 1.00 0.00 N ATOM 78 CA ARG A 9 2.927 -15.808 -12.588 1.00 0.00 C ATOM 79 C ARG A 9 2.346 -14.908 -11.502 1.00 0.00 C ATOM 80 O ARG A 9 1.141 -14.915 -11.255 1.00 0.00 O ATOM 81 CB ARG A 9 1.868 -16.086 -13.656 1.00 0.00 C ATOM 82 CG ARG A 9 1.542 -14.878 -14.519 1.00 0.00 C ATOM 83 CD ARG A 9 0.303 -15.117 -15.367 1.00 0.00 C ATOM 84 NE ARG A 9 -0.003 -13.975 -16.225 1.00 0.00 N ATOM 85 CZ ARG A 9 -1.080 -13.903 -16.997 1.00 0.00 C ATOM 86 NH1 ARG A 9 -1.952 -14.902 -17.020 1.00 0.00 N ATOM 87 NH2 ARG A 9 -1.290 -12.831 -17.750 1.00 0.00 N ATOM 0 H ARG A 9 2.681 -17.722 -11.771 1.00 0.00 H new ATOM 0 HA ARG A 9 3.771 -15.294 -13.048 1.00 0.00 H new ATOM 0 HB2 ARG A 9 2.214 -16.897 -14.297 1.00 0.00 H new ATOM 0 HB3 ARG A 9 0.956 -16.431 -13.170 1.00 0.00 H new ATOM 0 HG2 ARG A 9 1.386 -14.007 -13.883 1.00 0.00 H new ATOM 0 HG3 ARG A 9 2.389 -14.653 -15.166 1.00 0.00 H new ATOM 0 HD2 ARG A 9 0.451 -16.004 -15.983 1.00 0.00 H new ATOM 0 HD3 ARG A 9 -0.548 -15.320 -14.716 1.00 0.00 H new ATOM 0 HE ARG A 9 0.647 -13.189 -16.231 1.00 0.00 H new ATOM 0 HH11 ARG A 9 -1.796 -15.729 -16.443 1.00 0.00 H new ATOM 0 HH12 ARG A 9 -2.779 -14.844 -17.614 1.00 0.00 H new ATOM 0 HH21 ARG A 9 -0.623 -12.060 -17.736 1.00 0.00 H new ATOM 0 HH22 ARG A 9 -2.119 -12.778 -18.342 1.00 0.00 H new ATOM 101 N GLU A 10 3.213 -14.135 -10.854 1.00 0.00 N ATOM 102 CA GLU A 10 2.784 -13.231 -9.793 1.00 0.00 C ATOM 103 C GLU A 10 2.989 -11.775 -10.203 1.00 0.00 C ATOM 104 O GLU A 10 3.753 -11.480 -11.123 1.00 0.00 O ATOM 105 CB GLU A 10 3.555 -13.522 -8.503 1.00 0.00 C ATOM 106 CG GLU A 10 3.187 -12.600 -7.354 1.00 0.00 C ATOM 107 CD GLU A 10 3.547 -13.182 -6.001 1.00 0.00 C ATOM 108 OE1 GLU A 10 4.714 -13.028 -5.581 1.00 0.00 O ATOM 109 OE2 GLU A 10 2.664 -13.791 -5.362 1.00 0.00 O ATOM 0 H GLU A 10 4.215 -14.117 -11.045 1.00 0.00 H new ATOM 0 HA GLU A 10 1.721 -13.395 -9.618 1.00 0.00 H new ATOM 0 HB2 GLU A 10 3.370 -14.554 -8.204 1.00 0.00 H new ATOM 0 HB3 GLU A 10 4.623 -13.434 -8.700 1.00 0.00 H new ATOM 0 HG2 GLU A 10 3.697 -11.645 -7.482 1.00 0.00 H new ATOM 0 HG3 GLU A 10 2.117 -12.397 -7.385 1.00 0.00 H new ATOM 116 N ILE A 11 2.299 -10.871 -9.516 1.00 0.00 N ATOM 117 CA ILE A 11 2.404 -9.447 -9.809 1.00 0.00 C ATOM 118 C ILE A 11 3.665 -8.851 -9.192 1.00 0.00 C ATOM 119 O ILE A 11 3.954 -9.065 -8.014 1.00 0.00 O ATOM 120 CB ILE A 11 1.178 -8.673 -9.289 1.00 0.00 C ATOM 121 CG1 ILE A 11 -0.110 -9.282 -9.848 1.00 0.00 C ATOM 122 CG2 ILE A 11 1.281 -7.203 -9.664 1.00 0.00 C ATOM 123 CD1 ILE A 11 -1.367 -8.622 -9.323 1.00 0.00 C ATOM 0 H ILE A 11 1.662 -11.099 -8.753 1.00 0.00 H new ATOM 0 HA ILE A 11 2.451 -9.351 -10.894 1.00 0.00 H new ATOM 0 HB ILE A 11 1.153 -8.749 -8.202 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -0.096 -9.206 -10.935 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -0.137 -10.344 -9.603 1.00 0.00 H new ATOM 0 HG21 ILE A 11 0.407 -6.670 -9.289 1.00 0.00 H new ATOM 0 HG22 ILE A 11 2.182 -6.777 -9.223 1.00 0.00 H new ATOM 0 HG23 ILE A 11 1.327 -7.107 -10.749 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -2.241 -9.104 -9.761 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -1.404 -8.721 -8.238 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -1.363 -7.566 -9.591 1.00 0.00 H new ATOM 135 N ASP A 12 4.413 -8.102 -9.995 1.00 0.00 N ATOM 136 CA ASP A 12 5.643 -7.472 -9.528 1.00 0.00 C ATOM 137 C ASP A 12 5.361 -6.084 -8.960 1.00 0.00 C ATOM 138 O ASP A 12 5.257 -5.108 -9.702 1.00 0.00 O ATOM 139 CB ASP A 12 6.655 -7.373 -10.670 1.00 0.00 C ATOM 140 CG ASP A 12 8.032 -6.959 -10.187 1.00 0.00 C ATOM 141 OD1 ASP A 12 8.435 -7.404 -9.093 1.00 0.00 O ATOM 142 OD2 ASP A 12 8.706 -6.190 -10.905 1.00 0.00 O ATOM 0 H ASP A 12 4.189 -7.916 -10.973 1.00 0.00 H new ATOM 0 HA ASP A 12 6.061 -8.091 -8.735 1.00 0.00 H new ATOM 0 HB2 ASP A 12 6.724 -8.336 -11.175 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.299 -6.652 -11.406 1.00 0.00 H new ATOM 147 N TYR A 13 5.234 -6.006 -7.640 1.00 0.00 N ATOM 148 CA TYR A 13 4.961 -4.739 -6.972 1.00 0.00 C ATOM 149 C TYR A 13 6.206 -3.858 -6.943 1.00 0.00 C ATOM 150 O TYR A 13 6.113 -2.630 -6.924 1.00 0.00 O ATOM 151 CB TYR A 13 4.465 -4.987 -5.547 1.00 0.00 C ATOM 152 CG TYR A 13 3.396 -6.052 -5.453 1.00 0.00 C ATOM 153 CD1 TYR A 13 2.288 -6.026 -6.291 1.00 0.00 C ATOM 154 CD2 TYR A 13 3.495 -7.084 -4.528 1.00 0.00 C ATOM 155 CE1 TYR A 13 1.309 -6.998 -6.209 1.00 0.00 C ATOM 156 CE2 TYR A 13 2.521 -8.060 -4.440 1.00 0.00 C ATOM 157 CZ TYR A 13 1.430 -8.012 -5.283 1.00 0.00 C ATOM 158 OH TYR A 13 0.458 -8.982 -5.197 1.00 0.00 O ATOM 0 H TYR A 13 5.316 -6.805 -7.011 1.00 0.00 H new ATOM 0 HA TYR A 13 4.185 -4.221 -7.535 1.00 0.00 H new ATOM 0 HB2 TYR A 13 5.310 -5.277 -4.923 1.00 0.00 H new ATOM 0 HB3 TYR A 13 4.073 -4.055 -5.140 1.00 0.00 H new ATOM 0 HD1 TYR A 13 2.190 -5.233 -7.018 1.00 0.00 H new ATOM 0 HD2 TYR A 13 4.348 -7.124 -3.867 1.00 0.00 H new ATOM 0 HE1 TYR A 13 0.453 -6.963 -6.867 1.00 0.00 H new ATOM 0 HE2 TYR A 13 2.613 -8.856 -3.716 1.00 0.00 H new ATOM 0 HH TYR A 13 0.696 -9.623 -4.495 1.00 0.00 H new ATOM 168 N THR A 14 7.373 -4.494 -6.943 1.00 0.00 N ATOM 169 CA THR A 14 8.638 -3.770 -6.916 1.00 0.00 C ATOM 170 C THR A 14 8.950 -3.159 -8.276 1.00 0.00 C ATOM 171 O THR A 14 10.013 -2.571 -8.474 1.00 0.00 O ATOM 172 CB THR A 14 9.803 -4.689 -6.499 1.00 0.00 C ATOM 173 OG1 THR A 14 10.025 -5.684 -7.505 1.00 0.00 O ATOM 174 CG2 THR A 14 9.510 -5.363 -5.167 1.00 0.00 C ATOM 0 H THR A 14 7.469 -5.509 -6.961 1.00 0.00 H new ATOM 0 HA THR A 14 8.531 -2.974 -6.179 1.00 0.00 H new ATOM 0 HB THR A 14 10.699 -4.078 -6.389 1.00 0.00 H new ATOM 0 HG1 THR A 14 9.163 -6.003 -7.845 1.00 0.00 H new ATOM 0 HG21 THR A 14 10.346 -6.007 -4.893 1.00 0.00 H new ATOM 0 HG22 THR A 14 9.370 -4.603 -4.398 1.00 0.00 H new ATOM 0 HG23 THR A 14 8.604 -5.963 -5.254 1.00 0.00 H new ATOM 182 N ALA A 15 8.016 -3.301 -9.212 1.00 0.00 N ATOM 183 CA ALA A 15 8.191 -2.760 -10.554 1.00 0.00 C ATOM 184 C ALA A 15 7.622 -1.350 -10.656 1.00 0.00 C ATOM 185 O ALA A 15 8.044 -0.557 -11.500 1.00 0.00 O ATOM 186 CB ALA A 15 7.536 -3.672 -11.580 1.00 0.00 C ATOM 0 H ALA A 15 7.131 -3.786 -9.065 1.00 0.00 H new ATOM 0 HA ALA A 15 9.260 -2.707 -10.761 1.00 0.00 H new ATOM 0 HB1 ALA A 15 7.674 -3.256 -12.578 1.00 0.00 H new ATOM 0 HB2 ALA A 15 7.993 -4.660 -11.533 1.00 0.00 H new ATOM 0 HB3 ALA A 15 6.470 -3.754 -11.366 1.00 0.00 H new ATOM 192 N TYR A 16 6.660 -1.041 -9.793 1.00 0.00 N ATOM 193 CA TYR A 16 6.029 0.273 -9.788 1.00 0.00 C ATOM 194 C TYR A 16 6.878 1.282 -9.021 1.00 0.00 C ATOM 195 O TYR A 16 7.607 0.940 -8.089 1.00 0.00 O ATOM 196 CB TYR A 16 4.633 0.190 -9.169 1.00 0.00 C ATOM 197 CG TYR A 16 3.632 -0.549 -10.028 1.00 0.00 C ATOM 198 CD1 TYR A 16 3.057 0.059 -11.137 1.00 0.00 C ATOM 199 CD2 TYR A 16 3.260 -1.854 -9.730 1.00 0.00 C ATOM 200 CE1 TYR A 16 2.141 -0.612 -11.925 1.00 0.00 C ATOM 201 CE2 TYR A 16 2.347 -2.533 -10.512 1.00 0.00 C ATOM 202 CZ TYR A 16 1.791 -1.907 -11.609 1.00 0.00 C ATOM 203 OH TYR A 16 0.879 -2.580 -12.390 1.00 0.00 O ATOM 0 H TYR A 16 6.300 -1.684 -9.087 1.00 0.00 H new ATOM 0 HA TYR A 16 5.941 0.609 -10.821 1.00 0.00 H new ATOM 0 HB2 TYR A 16 4.703 -0.305 -8.200 1.00 0.00 H new ATOM 0 HB3 TYR A 16 4.266 1.200 -8.985 1.00 0.00 H new ATOM 0 HD1 TYR A 16 3.330 1.073 -11.388 1.00 0.00 H new ATOM 0 HD2 TYR A 16 3.693 -2.346 -8.871 1.00 0.00 H new ATOM 0 HE1 TYR A 16 1.702 -0.125 -12.783 1.00 0.00 H new ATOM 0 HE2 TYR A 16 2.070 -3.548 -10.267 1.00 0.00 H new ATOM 0 HH TYR A 16 0.744 -3.482 -12.031 1.00 0.00 H new ATOM 213 N PRO A 17 6.784 2.559 -9.423 1.00 0.00 N ATOM 214 CA PRO A 17 7.536 3.646 -8.787 1.00 0.00 C ATOM 215 C PRO A 17 7.037 3.949 -7.378 1.00 0.00 C ATOM 216 O PRO A 17 7.801 4.391 -6.521 1.00 0.00 O ATOM 217 CB PRO A 17 7.283 4.839 -9.712 1.00 0.00 C ATOM 218 CG PRO A 17 5.986 4.535 -10.378 1.00 0.00 C ATOM 219 CD PRO A 17 5.937 3.040 -10.526 1.00 0.00 C ATOM 0 HA PRO A 17 8.590 3.397 -8.667 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.230 5.771 -9.150 1.00 0.00 H new ATOM 0 HB3 PRO A 17 8.085 4.952 -10.441 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.147 4.896 -9.782 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.922 5.026 -11.349 1.00 0.00 H new ATOM 0 HD2 PRO A 17 4.918 2.662 -10.444 1.00 0.00 H new ATOM 0 HD3 PRO A 17 6.319 2.720 -11.495 1.00 0.00 H new ATOM 227 N TRP A 18 5.752 3.708 -7.146 1.00 0.00 N ATOM 228 CA TRP A 18 5.152 3.954 -5.840 1.00 0.00 C ATOM 229 C TRP A 18 5.491 2.833 -4.864 1.00 0.00 C ATOM 230 O TRP A 18 4.925 2.755 -3.773 1.00 0.00 O ATOM 231 CB TRP A 18 3.634 4.092 -5.971 1.00 0.00 C ATOM 232 CG TRP A 18 3.022 3.075 -6.887 1.00 0.00 C ATOM 233 CD1 TRP A 18 2.539 3.292 -8.146 1.00 0.00 C ATOM 234 CD2 TRP A 18 2.827 1.683 -6.615 1.00 0.00 C ATOM 235 NE1 TRP A 18 2.056 2.118 -8.673 1.00 0.00 N ATOM 236 CE2 TRP A 18 2.222 1.117 -7.754 1.00 0.00 C ATOM 237 CE3 TRP A 18 3.108 0.860 -5.522 1.00 0.00 C ATOM 238 CZ2 TRP A 18 1.891 -0.235 -7.826 1.00 0.00 C ATOM 239 CZ3 TRP A 18 2.779 -0.480 -5.595 1.00 0.00 C ATOM 240 CH2 TRP A 18 2.178 -1.017 -6.741 1.00 0.00 C ATOM 0 H TRP A 18 5.105 3.343 -7.845 1.00 0.00 H new ATOM 0 HA TRP A 18 5.562 4.885 -5.450 1.00 0.00 H new ATOM 0 HB2 TRP A 18 3.181 4.000 -4.984 1.00 0.00 H new ATOM 0 HB3 TRP A 18 3.397 5.091 -6.338 1.00 0.00 H new ATOM 0 HD1 TRP A 18 2.537 4.246 -8.653 1.00 0.00 H new ATOM 0 HE1 TRP A 18 1.641 2.010 -9.599 1.00 0.00 H new ATOM 0 HE3 TRP A 18 3.574 1.264 -4.635 1.00 0.00 H new ATOM 0 HZ2 TRP A 18 1.425 -0.650 -8.707 1.00 0.00 H new ATOM 0 HZ3 TRP A 18 2.989 -1.125 -4.754 1.00 0.00 H new ATOM 0 HH2 TRP A 18 1.937 -2.069 -6.768 1.00 0.00 H new ATOM 251 N PHE A 19 6.417 1.968 -5.262 1.00 0.00 N ATOM 252 CA PHE A 19 6.831 0.851 -4.423 1.00 0.00 C ATOM 253 C PHE A 19 7.871 1.296 -3.399 1.00 0.00 C ATOM 254 O PHE A 19 8.859 1.944 -3.744 1.00 0.00 O ATOM 255 CB PHE A 19 7.398 -0.280 -5.283 1.00 0.00 C ATOM 256 CG PHE A 19 8.269 -1.236 -4.520 1.00 0.00 C ATOM 257 CD1 PHE A 19 7.708 -2.213 -3.715 1.00 0.00 C ATOM 258 CD2 PHE A 19 9.650 -1.157 -4.609 1.00 0.00 C ATOM 259 CE1 PHE A 19 8.508 -3.094 -3.011 1.00 0.00 C ATOM 260 CE2 PHE A 19 10.455 -2.034 -3.908 1.00 0.00 C ATOM 261 CZ PHE A 19 9.883 -3.005 -3.108 1.00 0.00 C ATOM 0 H PHE A 19 6.895 2.019 -6.161 1.00 0.00 H new ATOM 0 HA PHE A 19 5.953 0.487 -3.889 1.00 0.00 H new ATOM 0 HB2 PHE A 19 6.573 -0.833 -5.732 1.00 0.00 H new ATOM 0 HB3 PHE A 19 7.975 0.151 -6.101 1.00 0.00 H new ATOM 0 HD1 PHE A 19 6.633 -2.288 -3.636 1.00 0.00 H new ATOM 0 HD2 PHE A 19 10.102 -0.401 -5.234 1.00 0.00 H new ATOM 0 HE1 PHE A 19 8.058 -3.851 -2.386 1.00 0.00 H new ATOM 0 HE2 PHE A 19 11.530 -1.961 -3.985 1.00 0.00 H new ATOM 0 HZ PHE A 19 10.510 -3.693 -2.560 1.00 0.00 H new ATOM 271 N ALA A 20 7.642 0.943 -2.138 1.00 0.00 N ATOM 272 CA ALA A 20 8.559 1.305 -1.064 1.00 0.00 C ATOM 273 C ALA A 20 9.586 0.202 -0.826 1.00 0.00 C ATOM 274 O ALA A 20 10.789 0.455 -0.807 1.00 0.00 O ATOM 275 CB ALA A 20 7.787 1.595 0.214 1.00 0.00 C ATOM 0 H ALA A 20 6.829 0.407 -1.835 1.00 0.00 H new ATOM 0 HA ALA A 20 9.094 2.206 -1.364 1.00 0.00 H new ATOM 0 HB1 ALA A 20 8.484 1.864 1.007 1.00 0.00 H new ATOM 0 HB2 ALA A 20 7.097 2.421 0.043 1.00 0.00 H new ATOM 0 HB3 ALA A 20 7.226 0.708 0.509 1.00 0.00 H new ATOM 281 N GLY A 21 9.101 -1.022 -0.641 1.00 0.00 N ATOM 282 CA GLY A 21 9.991 -2.144 -0.404 1.00 0.00 C ATOM 283 C GLY A 21 10.578 -2.134 0.992 1.00 0.00 C ATOM 284 O GLY A 21 11.618 -1.520 1.231 1.00 0.00 O ATOM 0 H GLY A 21 8.108 -1.257 -0.651 1.00 0.00 H new ATOM 0 HA2 GLY A 21 9.446 -3.075 -0.559 1.00 0.00 H new ATOM 0 HA3 GLY A 21 10.799 -2.123 -1.135 1.00 0.00 H new ATOM 288 N ASN A 22 9.910 -2.812 1.919 1.00 0.00 N ATOM 289 CA ASN A 22 10.372 -2.877 3.301 1.00 0.00 C ATOM 290 C ASN A 22 10.752 -1.491 3.813 1.00 0.00 C ATOM 291 O ASN A 22 11.826 -1.301 4.381 1.00 0.00 O ATOM 292 CB ASN A 22 11.571 -3.821 3.417 1.00 0.00 C ATOM 293 CG ASN A 22 11.685 -4.444 4.795 1.00 0.00 C ATOM 294 OD1 ASN A 22 11.949 -3.754 5.780 1.00 0.00 O ATOM 295 ND2 ASN A 22 11.485 -5.755 4.870 1.00 0.00 N ATOM 0 H ASN A 22 9.047 -3.324 1.739 1.00 0.00 H new ATOM 0 HA ASN A 22 9.555 -3.261 3.913 1.00 0.00 H new ATOM 0 HB2 ASN A 22 11.482 -4.610 2.671 1.00 0.00 H new ATOM 0 HB3 ASN A 22 12.485 -3.272 3.193 1.00 0.00 H new ATOM 0 HD21 ASN A 22 11.548 -6.230 5.771 1.00 0.00 H new ATOM 0 HD22 ASN A 22 11.269 -6.287 4.027 1.00 0.00 H new ATOM 302 N MET A 23 9.861 -0.525 3.607 1.00 0.00 N ATOM 303 CA MET A 23 10.102 0.844 4.049 1.00 0.00 C ATOM 304 C MET A 23 9.807 0.993 5.538 1.00 0.00 C ATOM 305 O MET A 23 8.982 0.268 6.092 1.00 0.00 O ATOM 306 CB MET A 23 9.242 1.821 3.245 1.00 0.00 C ATOM 307 CG MET A 23 9.526 3.281 3.560 1.00 0.00 C ATOM 308 SD MET A 23 10.876 3.953 2.572 1.00 0.00 S ATOM 309 CE MET A 23 10.074 5.367 1.820 1.00 0.00 C ATOM 0 H MET A 23 8.967 -0.665 3.137 1.00 0.00 H new ATOM 0 HA MET A 23 11.154 1.075 3.880 1.00 0.00 H new ATOM 0 HB2 MET A 23 9.408 1.648 2.182 1.00 0.00 H new ATOM 0 HB3 MET A 23 8.190 1.613 3.441 1.00 0.00 H new ATOM 0 HG2 MET A 23 8.625 3.869 3.385 1.00 0.00 H new ATOM 0 HG3 MET A 23 9.770 3.380 4.618 1.00 0.00 H new ATOM 0 HE1 MET A 23 10.828 6.032 1.399 1.00 0.00 H new ATOM 0 HE2 MET A 23 9.406 5.028 1.028 1.00 0.00 H new ATOM 0 HE3 MET A 23 9.499 5.903 2.575 1.00 0.00 H new ATOM 319 N GLU A 24 10.488 1.938 6.179 1.00 0.00 N ATOM 320 CA GLU A 24 10.299 2.181 7.605 1.00 0.00 C ATOM 321 C GLU A 24 9.327 3.336 7.836 1.00 0.00 C ATOM 322 O GLU A 24 9.577 4.464 7.411 1.00 0.00 O ATOM 323 CB GLU A 24 11.640 2.486 8.276 1.00 0.00 C ATOM 324 CG GLU A 24 12.603 3.257 7.389 1.00 0.00 C ATOM 325 CD GLU A 24 13.675 3.978 8.181 1.00 0.00 C ATOM 326 OE1 GLU A 24 13.328 4.653 9.172 1.00 0.00 O ATOM 327 OE2 GLU A 24 14.862 3.867 7.809 1.00 0.00 O ATOM 0 H GLU A 24 11.175 2.547 5.734 1.00 0.00 H new ATOM 0 HA GLU A 24 9.877 1.279 8.048 1.00 0.00 H new ATOM 0 HB2 GLU A 24 11.460 3.059 9.186 1.00 0.00 H new ATOM 0 HB3 GLU A 24 12.108 1.549 8.577 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.075 2.569 6.688 1.00 0.00 H new ATOM 0 HG3 GLU A 24 12.045 3.982 6.797 1.00 0.00 H new ATOM 334 N ARG A 25 8.220 3.045 8.510 1.00 0.00 N ATOM 335 CA ARG A 25 7.211 4.057 8.796 1.00 0.00 C ATOM 336 C ARG A 25 7.858 5.420 9.030 1.00 0.00 C ATOM 337 O ARG A 25 7.393 6.434 8.513 1.00 0.00 O ATOM 338 CB ARG A 25 6.387 3.655 10.021 1.00 0.00 C ATOM 339 CG ARG A 25 5.205 4.573 10.288 1.00 0.00 C ATOM 340 CD ARG A 25 4.711 4.442 11.720 1.00 0.00 C ATOM 341 NE ARG A 25 4.123 3.129 11.978 1.00 0.00 N ATOM 342 CZ ARG A 25 3.681 2.744 13.171 1.00 0.00 C ATOM 343 NH1 ARG A 25 3.760 3.566 14.207 1.00 0.00 N ATOM 344 NH2 ARG A 25 3.159 1.535 13.326 1.00 0.00 N ATOM 0 H ARG A 25 7.999 2.116 8.868 1.00 0.00 H new ATOM 0 HA ARG A 25 6.552 4.131 7.931 1.00 0.00 H new ATOM 0 HB2 ARG A 25 6.022 2.637 9.885 1.00 0.00 H new ATOM 0 HB3 ARG A 25 7.035 3.647 10.897 1.00 0.00 H new ATOM 0 HG2 ARG A 25 5.494 5.606 10.095 1.00 0.00 H new ATOM 0 HG3 ARG A 25 4.395 4.335 9.599 1.00 0.00 H new ATOM 0 HD2 ARG A 25 5.541 4.609 12.407 1.00 0.00 H new ATOM 0 HD3 ARG A 25 3.971 5.217 11.921 1.00 0.00 H new ATOM 0 HE ARG A 25 4.048 2.473 11.201 1.00 0.00 H new ATOM 0 HH11 ARG A 25 4.161 4.497 14.090 1.00 0.00 H new ATOM 0 HH12 ARG A 25 3.420 3.268 15.121 1.00 0.00 H new ATOM 0 HH21 ARG A 25 3.097 0.900 12.530 1.00 0.00 H new ATOM 0 HH22 ARG A 25 2.820 1.239 14.241 1.00 0.00 H new ATOM 358 N GLN A 26 8.933 5.431 9.812 1.00 0.00 N ATOM 359 CA GLN A 26 9.643 6.669 10.115 1.00 0.00 C ATOM 360 C GLN A 26 10.034 7.399 8.835 1.00 0.00 C ATOM 361 O GLN A 26 9.621 8.536 8.608 1.00 0.00 O ATOM 362 CB GLN A 26 10.889 6.374 10.951 1.00 0.00 C ATOM 363 CG GLN A 26 11.367 7.563 11.769 1.00 0.00 C ATOM 364 CD GLN A 26 12.460 7.193 12.753 1.00 0.00 C ATOM 365 OE1 GLN A 26 12.374 6.173 13.439 1.00 0.00 O ATOM 366 NE2 GLN A 26 13.495 8.021 12.828 1.00 0.00 N ATOM 0 H GLN A 26 9.331 4.598 10.247 1.00 0.00 H new ATOM 0 HA GLN A 26 8.975 7.312 10.687 1.00 0.00 H new ATOM 0 HB2 GLN A 26 10.677 5.542 11.623 1.00 0.00 H new ATOM 0 HB3 GLN A 26 11.693 6.052 10.289 1.00 0.00 H new ATOM 0 HG2 GLN A 26 11.736 8.337 11.096 1.00 0.00 H new ATOM 0 HG3 GLN A 26 10.523 7.988 12.312 1.00 0.00 H new ATOM 0 HE21 GLN A 26 13.525 8.855 12.241 1.00 0.00 H new ATOM 0 HE22 GLN A 26 14.260 7.824 13.473 1.00 0.00 H new ATOM 375 N GLN A 27 10.833 6.738 8.003 1.00 0.00 N ATOM 376 CA GLN A 27 11.280 7.327 6.746 1.00 0.00 C ATOM 377 C GLN A 27 10.092 7.769 5.899 1.00 0.00 C ATOM 378 O GLN A 27 10.158 8.778 5.196 1.00 0.00 O ATOM 379 CB GLN A 27 12.133 6.325 5.966 1.00 0.00 C ATOM 380 CG GLN A 27 12.803 6.923 4.739 1.00 0.00 C ATOM 381 CD GLN A 27 13.979 6.098 4.255 1.00 0.00 C ATOM 382 OE1 GLN A 27 14.352 5.103 4.878 1.00 0.00 O ATOM 383 NE2 GLN A 27 14.570 6.506 3.139 1.00 0.00 N ATOM 0 H GLN A 27 11.184 5.796 8.176 1.00 0.00 H new ATOM 0 HA GLN A 27 11.883 8.205 6.978 1.00 0.00 H new ATOM 0 HB2 GLN A 27 12.899 5.920 6.627 1.00 0.00 H new ATOM 0 HB3 GLN A 27 11.505 5.489 5.656 1.00 0.00 H new ATOM 0 HG2 GLN A 27 12.071 7.010 3.936 1.00 0.00 H new ATOM 0 HG3 GLN A 27 13.143 7.932 4.971 1.00 0.00 H new ATOM 0 HE21 GLN A 27 14.228 7.336 2.655 1.00 0.00 H new ATOM 0 HE22 GLN A 27 15.366 5.989 2.765 1.00 0.00 H new ATOM 392 N THR A 28 9.004 7.008 5.970 1.00 0.00 N ATOM 393 CA THR A 28 7.801 7.320 5.208 1.00 0.00 C ATOM 394 C THR A 28 7.187 8.639 5.666 1.00 0.00 C ATOM 395 O THR A 28 6.883 9.509 4.851 1.00 0.00 O ATOM 396 CB THR A 28 6.748 6.204 5.338 1.00 0.00 C ATOM 397 OG1 THR A 28 7.380 4.923 5.251 1.00 0.00 O ATOM 398 CG2 THR A 28 5.690 6.330 4.253 1.00 0.00 C ATOM 0 H THR A 28 8.931 6.171 6.548 1.00 0.00 H new ATOM 0 HA THR A 28 8.102 7.405 4.164 1.00 0.00 H new ATOM 0 HB THR A 28 6.262 6.303 6.309 1.00 0.00 H new ATOM 0 HG1 THR A 28 6.704 4.218 5.336 1.00 0.00 H new ATOM 0 HG21 THR A 28 4.957 5.531 4.365 1.00 0.00 H new ATOM 0 HG22 THR A 28 5.191 7.295 4.342 1.00 0.00 H new ATOM 0 HG23 THR A 28 6.162 6.254 3.274 1.00 0.00 H new ATOM 406 N ASP A 29 7.009 8.780 6.975 1.00 0.00 N ATOM 407 CA ASP A 29 6.432 9.993 7.542 1.00 0.00 C ATOM 408 C ASP A 29 7.433 11.144 7.492 1.00 0.00 C ATOM 409 O ASP A 29 7.062 12.308 7.634 1.00 0.00 O ATOM 410 CB ASP A 29 5.991 9.747 8.985 1.00 0.00 C ATOM 411 CG ASP A 29 4.910 10.713 9.432 1.00 0.00 C ATOM 412 OD1 ASP A 29 4.893 11.856 8.931 1.00 0.00 O ATOM 413 OD2 ASP A 29 4.082 10.324 10.283 1.00 0.00 O ATOM 0 H ASP A 29 7.256 8.069 7.663 1.00 0.00 H new ATOM 0 HA ASP A 29 5.561 10.265 6.946 1.00 0.00 H new ATOM 0 HB2 ASP A 29 5.624 8.725 9.081 1.00 0.00 H new ATOM 0 HB3 ASP A 29 6.853 9.839 9.646 1.00 0.00 H new ATOM 418 N ASN A 30 8.703 10.810 7.289 1.00 0.00 N ATOM 419 CA ASN A 30 9.758 11.815 7.223 1.00 0.00 C ATOM 420 C ASN A 30 9.971 12.284 5.786 1.00 0.00 C ATOM 421 O ASN A 30 10.385 13.419 5.548 1.00 0.00 O ATOM 422 CB ASN A 30 11.064 11.252 7.788 1.00 0.00 C ATOM 423 CG ASN A 30 11.042 11.145 9.300 1.00 0.00 C ATOM 424 OD1 ASN A 30 10.139 11.665 9.957 1.00 0.00 O ATOM 425 ND2 ASN A 30 12.037 10.469 9.860 1.00 0.00 N ATOM 0 H ASN A 30 9.027 9.851 7.167 1.00 0.00 H new ATOM 0 HA ASN A 30 9.450 12.671 7.824 1.00 0.00 H new ATOM 0 HB2 ASN A 30 11.247 10.267 7.360 1.00 0.00 H new ATOM 0 HB3 ASN A 30 11.893 11.891 7.484 1.00 0.00 H new ATOM 0 HD21 ASN A 30 12.075 10.364 10.874 1.00 0.00 H new ATOM 0 HD22 ASN A 30 12.764 10.055 9.277 1.00 0.00 H new ATOM 432 N LEU A 31 9.686 11.403 4.834 1.00 0.00 N ATOM 433 CA LEU A 31 9.847 11.727 3.420 1.00 0.00 C ATOM 434 C LEU A 31 8.548 12.271 2.836 1.00 0.00 C ATOM 435 O LEU A 31 8.558 13.217 2.046 1.00 0.00 O ATOM 436 CB LEU A 31 10.291 10.488 2.641 1.00 0.00 C ATOM 437 CG LEU A 31 9.171 9.605 2.090 1.00 0.00 C ATOM 438 CD1 LEU A 31 8.654 10.160 0.771 1.00 0.00 C ATOM 439 CD2 LEU A 31 9.656 8.174 1.914 1.00 0.00 C ATOM 0 H LEU A 31 9.343 10.460 5.014 1.00 0.00 H new ATOM 0 HA LEU A 31 10.613 12.497 3.333 1.00 0.00 H new ATOM 0 HB2 LEU A 31 10.915 10.812 1.808 1.00 0.00 H new ATOM 0 HB3 LEU A 31 10.919 9.880 3.292 1.00 0.00 H new ATOM 0 HG LEU A 31 8.350 9.603 2.807 1.00 0.00 H new ATOM 0 HD11 LEU A 31 7.857 9.519 0.394 1.00 0.00 H new ATOM 0 HD12 LEU A 31 8.266 11.167 0.927 1.00 0.00 H new ATOM 0 HD13 LEU A 31 9.467 10.193 0.046 1.00 0.00 H new ATOM 0 HD21 LEU A 31 8.845 7.561 1.521 1.00 0.00 H new ATOM 0 HD22 LEU A 31 10.494 8.157 1.217 1.00 0.00 H new ATOM 0 HD23 LEU A 31 9.977 7.777 2.877 1.00 0.00 H new ATOM 451 N LEU A 32 7.430 11.670 3.231 1.00 0.00 N ATOM 452 CA LEU A 32 6.121 12.097 2.747 1.00 0.00 C ATOM 453 C LEU A 32 5.788 13.501 3.243 1.00 0.00 C ATOM 454 O LEU A 32 5.396 14.369 2.464 1.00 0.00 O ATOM 455 CB LEU A 32 5.042 11.113 3.204 1.00 0.00 C ATOM 456 CG LEU A 32 4.992 9.778 2.460 1.00 0.00 C ATOM 457 CD1 LEU A 32 3.771 8.977 2.883 1.00 0.00 C ATOM 458 CD2 LEU A 32 4.988 10.006 0.956 1.00 0.00 C ATOM 0 H LEU A 32 7.404 10.887 3.884 1.00 0.00 H new ATOM 0 HA LEU A 32 6.151 12.115 1.658 1.00 0.00 H new ATOM 0 HB2 LEU A 32 5.190 10.910 4.265 1.00 0.00 H new ATOM 0 HB3 LEU A 32 4.071 11.598 3.105 1.00 0.00 H new ATOM 0 HG LEU A 32 5.883 9.206 2.718 1.00 0.00 H new ATOM 0 HD11 LEU A 32 3.752 8.030 2.343 1.00 0.00 H new ATOM 0 HD12 LEU A 32 3.817 8.783 3.955 1.00 0.00 H new ATOM 0 HD13 LEU A 32 2.868 9.543 2.655 1.00 0.00 H new ATOM 0 HD21 LEU A 32 4.952 9.045 0.442 1.00 0.00 H new ATOM 0 HD22 LEU A 32 4.115 10.598 0.680 1.00 0.00 H new ATOM 0 HD23 LEU A 32 5.894 10.539 0.666 1.00 0.00 H new ATOM 470 N LYS A 33 5.950 13.716 4.543 1.00 0.00 N ATOM 471 CA LYS A 33 5.670 15.016 5.144 1.00 0.00 C ATOM 472 C LYS A 33 6.159 16.148 4.245 1.00 0.00 C ATOM 473 O LYS A 33 5.523 17.197 4.152 1.00 0.00 O ATOM 474 CB LYS A 33 6.335 15.119 6.519 1.00 0.00 C ATOM 475 CG LYS A 33 7.849 14.994 6.473 1.00 0.00 C ATOM 476 CD LYS A 33 8.448 14.963 7.869 1.00 0.00 C ATOM 477 CE LYS A 33 8.197 16.267 8.611 1.00 0.00 C ATOM 478 NZ LYS A 33 6.893 16.253 9.332 1.00 0.00 N ATOM 0 H LYS A 33 6.274 13.008 5.202 1.00 0.00 H new ATOM 0 HA LYS A 33 4.590 15.109 5.261 1.00 0.00 H new ATOM 0 HB2 LYS A 33 6.071 16.076 6.970 1.00 0.00 H new ATOM 0 HB3 LYS A 33 5.934 14.340 7.167 1.00 0.00 H new ATOM 0 HG2 LYS A 33 8.124 14.085 5.938 1.00 0.00 H new ATOM 0 HG3 LYS A 33 8.267 15.832 5.915 1.00 0.00 H new ATOM 0 HD2 LYS A 33 8.019 14.134 8.432 1.00 0.00 H new ATOM 0 HD3 LYS A 33 9.521 14.782 7.802 1.00 0.00 H new ATOM 0 HE2 LYS A 33 9.004 16.441 9.323 1.00 0.00 H new ATOM 0 HE3 LYS A 33 8.212 17.096 7.904 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 6.248 16.942 8.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 6.475 15.303 9.274 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 7.045 16.504 10.330 1.00 0.00 H new ATOM 492 N SER A 34 7.290 15.925 3.584 1.00 0.00 N ATOM 493 CA SER A 34 7.864 16.927 2.694 1.00 0.00 C ATOM 494 C SER A 34 7.132 16.949 1.356 1.00 0.00 C ATOM 495 O SER A 34 6.861 18.015 0.801 1.00 0.00 O ATOM 496 CB SER A 34 9.352 16.648 2.469 1.00 0.00 C ATOM 497 OG SER A 34 9.884 17.496 1.466 1.00 0.00 O ATOM 0 H SER A 34 7.827 15.060 3.648 1.00 0.00 H new ATOM 0 HA SER A 34 7.751 17.903 3.166 1.00 0.00 H new ATOM 0 HB2 SER A 34 9.898 16.795 3.401 1.00 0.00 H new ATOM 0 HB3 SER A 34 9.490 15.606 2.180 1.00 0.00 H new ATOM 0 HG SER A 34 10.836 17.299 1.342 1.00 0.00 H new ATOM 503 N HIS A 35 6.815 15.765 0.843 1.00 0.00 N ATOM 504 CA HIS A 35 6.113 15.647 -0.430 1.00 0.00 C ATOM 505 C HIS A 35 4.791 16.407 -0.394 1.00 0.00 C ATOM 506 O HIS A 35 4.420 16.979 0.630 1.00 0.00 O ATOM 507 CB HIS A 35 5.861 14.176 -0.764 1.00 0.00 C ATOM 508 CG HIS A 35 6.959 13.547 -1.563 1.00 0.00 C ATOM 509 ND1 HIS A 35 6.875 13.338 -2.924 1.00 0.00 N ATOM 510 CD2 HIS A 35 8.173 13.081 -1.188 1.00 0.00 C ATOM 511 CE1 HIS A 35 7.988 12.768 -3.349 1.00 0.00 C ATOM 512 NE2 HIS A 35 8.794 12.603 -2.316 1.00 0.00 N ATOM 0 H HIS A 35 7.033 14.874 1.289 1.00 0.00 H new ATOM 0 HA HIS A 35 6.742 16.085 -1.205 1.00 0.00 H new ATOM 0 HB2 HIS A 35 5.732 13.618 0.164 1.00 0.00 H new ATOM 0 HB3 HIS A 35 4.926 14.093 -1.318 1.00 0.00 H new ATOM 0 HD2 HIS A 35 8.578 13.084 -0.187 1.00 0.00 H new ATOM 0 HE1 HIS A 35 8.203 12.485 -4.369 1.00 0.00 H new ATOM 0 HE2 HIS A 35 9.725 12.188 -2.350 1.00 0.00 H new ATOM 521 N ALA A 36 4.083 16.409 -1.519 1.00 0.00 N ATOM 522 CA ALA A 36 2.802 17.097 -1.615 1.00 0.00 C ATOM 523 C ALA A 36 1.689 16.278 -0.969 1.00 0.00 C ATOM 524 O ALA A 36 1.941 15.230 -0.373 1.00 0.00 O ATOM 525 CB ALA A 36 2.467 17.389 -3.070 1.00 0.00 C ATOM 0 H ALA A 36 4.376 15.941 -2.377 1.00 0.00 H new ATOM 0 HA ALA A 36 2.884 18.041 -1.076 1.00 0.00 H new ATOM 0 HB1 ALA A 36 1.507 17.903 -3.126 1.00 0.00 H new ATOM 0 HB2 ALA A 36 3.243 18.021 -3.502 1.00 0.00 H new ATOM 0 HB3 ALA A 36 2.410 16.453 -3.625 1.00 0.00 H new ATOM 531 N SER A 37 0.457 16.762 -1.090 1.00 0.00 N ATOM 532 CA SER A 37 -0.694 16.078 -0.513 1.00 0.00 C ATOM 533 C SER A 37 -1.273 15.065 -1.497 1.00 0.00 C ATOM 534 O SER A 37 -2.461 14.747 -1.452 1.00 0.00 O ATOM 535 CB SER A 37 -1.769 17.090 -0.113 1.00 0.00 C ATOM 536 OG SER A 37 -1.208 18.169 0.614 1.00 0.00 O ATOM 0 H SER A 37 0.230 17.626 -1.583 1.00 0.00 H new ATOM 0 HA SER A 37 -0.360 15.544 0.377 1.00 0.00 H new ATOM 0 HB2 SER A 37 -2.267 17.469 -1.006 1.00 0.00 H new ATOM 0 HB3 SER A 37 -2.530 16.597 0.491 1.00 0.00 H new ATOM 0 HG SER A 37 -1.915 18.803 0.857 1.00 0.00 H new ATOM 542 N GLY A 38 -0.423 14.562 -2.388 1.00 0.00 N ATOM 543 CA GLY A 38 -0.868 13.592 -3.371 1.00 0.00 C ATOM 544 C GLY A 38 0.138 12.478 -3.583 1.00 0.00 C ATOM 545 O GLY A 38 -0.076 11.584 -4.402 1.00 0.00 O ATOM 0 H GLY A 38 0.565 14.809 -2.446 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -1.818 13.164 -3.050 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -1.051 14.098 -4.319 1.00 0.00 H new ATOM 549 N THR A 39 1.241 12.530 -2.842 1.00 0.00 N ATOM 550 CA THR A 39 2.285 11.519 -2.953 1.00 0.00 C ATOM 551 C THR A 39 1.923 10.265 -2.166 1.00 0.00 C ATOM 552 O THR A 39 1.839 10.293 -0.939 1.00 0.00 O ATOM 553 CB THR A 39 3.640 12.054 -2.451 1.00 0.00 C ATOM 554 OG1 THR A 39 4.002 13.231 -3.181 1.00 0.00 O ATOM 555 CG2 THR A 39 4.727 11.001 -2.606 1.00 0.00 C ATOM 0 H THR A 39 1.434 13.262 -2.158 1.00 0.00 H new ATOM 0 HA THR A 39 2.371 11.268 -4.010 1.00 0.00 H new ATOM 0 HB THR A 39 3.541 12.299 -1.394 1.00 0.00 H new ATOM 0 HG1 THR A 39 4.978 13.291 -3.242 1.00 0.00 H new ATOM 0 HG21 THR A 39 5.675 11.401 -2.245 1.00 0.00 H new ATOM 0 HG22 THR A 39 4.462 10.117 -2.027 1.00 0.00 H new ATOM 0 HG23 THR A 39 4.824 10.730 -3.657 1.00 0.00 H new ATOM 563 N TYR A 40 1.709 9.166 -2.881 1.00 0.00 N ATOM 564 CA TYR A 40 1.355 7.900 -2.249 1.00 0.00 C ATOM 565 C TYR A 40 2.466 6.871 -2.429 1.00 0.00 C ATOM 566 O TYR A 40 3.298 6.989 -3.329 1.00 0.00 O ATOM 567 CB TYR A 40 0.047 7.364 -2.832 1.00 0.00 C ATOM 568 CG TYR A 40 0.189 6.823 -4.238 1.00 0.00 C ATOM 569 CD1 TYR A 40 0.198 7.677 -5.334 1.00 0.00 C ATOM 570 CD2 TYR A 40 0.314 5.459 -4.469 1.00 0.00 C ATOM 571 CE1 TYR A 40 0.326 7.187 -6.619 1.00 0.00 C ATOM 572 CE2 TYR A 40 0.444 4.961 -5.751 1.00 0.00 C ATOM 573 CZ TYR A 40 0.449 5.829 -6.823 1.00 0.00 C ATOM 574 OH TYR A 40 0.578 5.338 -8.102 1.00 0.00 O ATOM 0 H TYR A 40 1.774 9.126 -3.898 1.00 0.00 H new ATOM 0 HA TYR A 40 1.223 8.080 -1.182 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -0.333 6.574 -2.184 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -0.696 8.162 -2.832 1.00 0.00 H new ATOM 0 HD1 TYR A 40 0.103 8.742 -5.179 1.00 0.00 H new ATOM 0 HD2 TYR A 40 0.309 4.776 -3.632 1.00 0.00 H new ATOM 0 HE1 TYR A 40 0.330 7.864 -7.460 1.00 0.00 H new ATOM 0 HE2 TYR A 40 0.541 3.898 -5.913 1.00 0.00 H new ATOM 0 HH TYR A 40 0.875 4.405 -8.066 1.00 0.00 H new ATOM 584 N LEU A 41 2.472 5.861 -1.566 1.00 0.00 N ATOM 585 CA LEU A 41 3.481 4.808 -1.629 1.00 0.00 C ATOM 586 C LEU A 41 2.961 3.519 -0.999 1.00 0.00 C ATOM 587 O LEU A 41 1.974 3.530 -0.263 1.00 0.00 O ATOM 588 CB LEU A 41 4.759 5.256 -0.920 1.00 0.00 C ATOM 589 CG LEU A 41 4.775 5.097 0.602 1.00 0.00 C ATOM 590 CD1 LEU A 41 5.322 3.733 0.990 1.00 0.00 C ATOM 591 CD2 LEU A 41 5.594 6.207 1.245 1.00 0.00 C ATOM 0 H LEU A 41 1.791 5.748 -0.815 1.00 0.00 H new ATOM 0 HA LEU A 41 3.704 4.614 -2.678 1.00 0.00 H new ATOM 0 HB2 LEU A 41 5.596 4.693 -1.333 1.00 0.00 H new ATOM 0 HB3 LEU A 41 4.933 6.305 -1.157 1.00 0.00 H new ATOM 0 HG LEU A 41 3.751 5.171 0.968 1.00 0.00 H new ATOM 0 HD11 LEU A 41 5.326 3.638 2.076 1.00 0.00 H new ATOM 0 HD12 LEU A 41 4.694 2.953 0.560 1.00 0.00 H new ATOM 0 HD13 LEU A 41 6.339 3.628 0.613 1.00 0.00 H new ATOM 0 HD21 LEU A 41 5.595 6.078 2.327 1.00 0.00 H new ATOM 0 HD22 LEU A 41 6.618 6.165 0.874 1.00 0.00 H new ATOM 0 HD23 LEU A 41 5.157 7.174 0.995 1.00 0.00 H new ATOM 603 N ILE A 42 3.634 2.411 -1.291 1.00 0.00 N ATOM 604 CA ILE A 42 3.242 1.116 -0.750 1.00 0.00 C ATOM 605 C ILE A 42 4.450 0.358 -0.210 1.00 0.00 C ATOM 606 O ILE A 42 5.358 -0.002 -0.960 1.00 0.00 O ATOM 607 CB ILE A 42 2.543 0.250 -1.815 1.00 0.00 C ATOM 608 CG1 ILE A 42 1.129 0.773 -2.081 1.00 0.00 C ATOM 609 CG2 ILE A 42 2.499 -1.205 -1.370 1.00 0.00 C ATOM 610 CD1 ILE A 42 1.067 1.813 -3.178 1.00 0.00 C ATOM 0 H ILE A 42 4.453 2.384 -1.899 1.00 0.00 H new ATOM 0 HA ILE A 42 2.544 1.312 0.064 1.00 0.00 H new ATOM 0 HB ILE A 42 3.114 0.310 -2.742 1.00 0.00 H new ATOM 0 HG12 ILE A 42 0.485 -0.065 -2.348 1.00 0.00 H new ATOM 0 HG13 ILE A 42 0.730 1.202 -1.162 1.00 0.00 H new ATOM 0 HG21 ILE A 42 2.002 -1.804 -2.133 1.00 0.00 H new ATOM 0 HG22 ILE A 42 3.515 -1.572 -1.225 1.00 0.00 H new ATOM 0 HG23 ILE A 42 1.948 -1.282 -0.433 1.00 0.00 H new ATOM 0 HD11 ILE A 42 0.036 2.139 -3.313 1.00 0.00 H new ATOM 0 HD12 ILE A 42 1.685 2.668 -2.904 1.00 0.00 H new ATOM 0 HD13 ILE A 42 1.436 1.382 -4.109 1.00 0.00 H new ATOM 622 N ARG A 43 4.454 0.117 1.097 1.00 0.00 N ATOM 623 CA ARG A 43 5.550 -0.597 1.740 1.00 0.00 C ATOM 624 C ARG A 43 5.168 -2.050 2.008 1.00 0.00 C ATOM 625 O ARG A 43 4.007 -2.433 1.867 1.00 0.00 O ATOM 626 CB ARG A 43 5.937 0.089 3.051 1.00 0.00 C ATOM 627 CG ARG A 43 4.870 -0.010 4.128 1.00 0.00 C ATOM 628 CD ARG A 43 3.949 1.200 4.113 1.00 0.00 C ATOM 629 NE ARG A 43 4.402 2.245 5.027 1.00 0.00 N ATOM 630 CZ ARG A 43 4.187 2.219 6.338 1.00 0.00 C ATOM 631 NH1 ARG A 43 3.530 1.205 6.884 1.00 0.00 N ATOM 632 NH2 ARG A 43 4.631 3.206 7.104 1.00 0.00 N ATOM 0 H ARG A 43 3.710 0.406 1.732 1.00 0.00 H new ATOM 0 HA ARG A 43 6.405 -0.581 1.065 1.00 0.00 H new ATOM 0 HB2 ARG A 43 6.860 -0.354 3.424 1.00 0.00 H new ATOM 0 HB3 ARG A 43 6.145 1.141 2.853 1.00 0.00 H new ATOM 0 HG2 ARG A 43 4.284 -0.917 3.979 1.00 0.00 H new ATOM 0 HG3 ARG A 43 5.345 -0.095 5.105 1.00 0.00 H new ATOM 0 HD2 ARG A 43 3.895 1.602 3.101 1.00 0.00 H new ATOM 0 HD3 ARG A 43 2.940 0.891 4.387 1.00 0.00 H new ATOM 0 HE ARG A 43 4.911 3.038 4.638 1.00 0.00 H new ATOM 0 HH11 ARG A 43 3.189 0.443 6.298 1.00 0.00 H new ATOM 0 HH12 ARG A 43 3.366 1.187 7.891 1.00 0.00 H new ATOM 0 HH21 ARG A 43 5.138 3.987 6.687 1.00 0.00 H new ATOM 0 HH22 ARG A 43 4.465 3.185 8.110 1.00 0.00 H new ATOM 646 N GLU A 44 6.153 -2.855 2.395 1.00 0.00 N ATOM 647 CA GLU A 44 5.919 -4.265 2.681 1.00 0.00 C ATOM 648 C GLU A 44 6.174 -4.571 4.155 1.00 0.00 C ATOM 649 O GLU A 44 7.319 -4.583 4.608 1.00 0.00 O ATOM 650 CB GLU A 44 6.815 -5.141 1.805 1.00 0.00 C ATOM 651 CG GLU A 44 7.110 -6.505 2.407 1.00 0.00 C ATOM 652 CD GLU A 44 7.329 -7.573 1.354 1.00 0.00 C ATOM 653 OE1 GLU A 44 7.413 -7.220 0.159 1.00 0.00 O ATOM 654 OE2 GLU A 44 7.415 -8.763 1.723 1.00 0.00 O ATOM 0 H GLU A 44 7.120 -2.554 2.517 1.00 0.00 H new ATOM 0 HA GLU A 44 4.876 -4.487 2.457 1.00 0.00 H new ATOM 0 HB2 GLU A 44 6.338 -5.277 0.834 1.00 0.00 H new ATOM 0 HB3 GLU A 44 7.756 -4.620 1.628 1.00 0.00 H new ATOM 0 HG2 GLU A 44 7.996 -6.435 3.038 1.00 0.00 H new ATOM 0 HG3 GLU A 44 6.282 -6.800 3.052 1.00 0.00 H new ATOM 661 N ARG A 45 5.099 -4.818 4.896 1.00 0.00 N ATOM 662 CA ARG A 45 5.206 -5.121 6.318 1.00 0.00 C ATOM 663 C ARG A 45 5.311 -6.626 6.546 1.00 0.00 C ATOM 664 O ARG A 45 4.342 -7.371 6.397 1.00 0.00 O ATOM 665 CB ARG A 45 3.998 -4.564 7.073 1.00 0.00 C ATOM 666 CG ARG A 45 3.959 -3.044 7.122 1.00 0.00 C ATOM 667 CD ARG A 45 4.723 -2.506 8.322 1.00 0.00 C ATOM 668 NE ARG A 45 6.161 -2.733 8.200 1.00 0.00 N ATOM 669 CZ ARG A 45 6.988 -2.772 9.238 1.00 0.00 C ATOM 670 NH1 ARG A 45 6.523 -2.602 10.468 1.00 0.00 N ATOM 671 NH2 ARG A 45 8.284 -2.983 9.048 1.00 0.00 N ATOM 0 H ARG A 45 4.145 -4.814 4.536 1.00 0.00 H new ATOM 0 HA ARG A 45 6.112 -4.648 6.697 1.00 0.00 H new ATOM 0 HB2 ARG A 45 3.085 -4.928 6.601 1.00 0.00 H new ATOM 0 HB3 ARG A 45 4.006 -4.952 8.092 1.00 0.00 H new ATOM 0 HG2 ARG A 45 4.387 -2.638 6.205 1.00 0.00 H new ATOM 0 HG3 ARG A 45 2.924 -2.707 7.167 1.00 0.00 H new ATOM 0 HD2 ARG A 45 4.532 -1.438 8.425 1.00 0.00 H new ATOM 0 HD3 ARG A 45 4.356 -2.984 9.230 1.00 0.00 H new ATOM 0 HE ARG A 45 6.551 -2.869 7.267 1.00 0.00 H new ATOM 0 HH11 ARG A 45 5.527 -2.441 10.619 1.00 0.00 H new ATOM 0 HH12 ARG A 45 7.161 -2.633 11.263 1.00 0.00 H new ATOM 0 HH21 ARG A 45 8.646 -3.115 8.104 1.00 0.00 H new ATOM 0 HH22 ARG A 45 8.918 -3.013 9.846 1.00 0.00 H new ATOM 685 N PRO A 46 6.515 -7.087 6.916 1.00 0.00 N ATOM 686 CA PRO A 46 6.775 -8.507 7.171 1.00 0.00 C ATOM 687 C PRO A 46 6.088 -9.002 8.440 1.00 0.00 C ATOM 688 O PRO A 46 6.483 -8.648 9.550 1.00 0.00 O ATOM 689 CB PRO A 46 8.296 -8.565 7.331 1.00 0.00 C ATOM 690 CG PRO A 46 8.684 -7.197 7.775 1.00 0.00 C ATOM 691 CD PRO A 46 7.716 -6.257 7.112 1.00 0.00 C ATOM 0 HA PRO A 46 6.392 -9.142 6.372 1.00 0.00 H new ATOM 0 HB2 PRO A 46 8.588 -9.317 8.064 1.00 0.00 H new ATOM 0 HB3 PRO A 46 8.783 -8.829 6.392 1.00 0.00 H new ATOM 0 HG2 PRO A 46 8.632 -7.109 8.860 1.00 0.00 H new ATOM 0 HG3 PRO A 46 9.710 -6.969 7.486 1.00 0.00 H new ATOM 0 HD2 PRO A 46 7.507 -5.389 7.737 1.00 0.00 H new ATOM 0 HD3 PRO A 46 8.104 -5.882 6.165 1.00 0.00 H new ATOM 699 N ALA A 47 5.058 -9.824 8.266 1.00 0.00 N ATOM 700 CA ALA A 47 4.317 -10.370 9.396 1.00 0.00 C ATOM 701 C ALA A 47 3.283 -11.390 8.934 1.00 0.00 C ATOM 702 O ALA A 47 3.126 -11.629 7.737 1.00 0.00 O ATOM 703 CB ALA A 47 3.646 -9.251 10.178 1.00 0.00 C ATOM 0 H ALA A 47 4.718 -10.126 7.353 1.00 0.00 H new ATOM 0 HA ALA A 47 5.024 -10.881 10.049 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.096 -9.674 11.019 1.00 0.00 H new ATOM 0 HB2 ALA A 47 4.404 -8.562 10.550 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.956 -8.715 9.526 1.00 0.00 H new ATOM 709 N GLU A 48 2.579 -11.987 9.889 1.00 0.00 N ATOM 710 CA GLU A 48 1.560 -12.983 9.579 1.00 0.00 C ATOM 711 C GLU A 48 0.256 -12.312 9.154 1.00 0.00 C ATOM 712 O GLU A 48 -0.115 -12.341 7.981 1.00 0.00 O ATOM 713 CB GLU A 48 1.311 -13.886 10.788 1.00 0.00 C ATOM 714 CG GLU A 48 2.244 -15.083 10.856 1.00 0.00 C ATOM 715 CD GLU A 48 2.306 -15.850 9.549 1.00 0.00 C ATOM 716 OE1 GLU A 48 1.240 -16.287 9.067 1.00 0.00 O ATOM 717 OE2 GLU A 48 3.419 -16.014 9.010 1.00 0.00 O ATOM 0 H GLU A 48 2.695 -11.799 10.885 1.00 0.00 H new ATOM 0 HA GLU A 48 1.924 -13.591 8.751 1.00 0.00 H new ATOM 0 HB2 GLU A 48 1.421 -13.298 11.699 1.00 0.00 H new ATOM 0 HB3 GLU A 48 0.281 -14.240 10.760 1.00 0.00 H new ATOM 0 HG2 GLU A 48 3.245 -14.744 11.122 1.00 0.00 H new ATOM 0 HG3 GLU A 48 1.913 -15.752 11.650 1.00 0.00 H new ATOM 724 N ALA A 49 -0.433 -11.710 10.117 1.00 0.00 N ATOM 725 CA ALA A 49 -1.695 -11.031 9.844 1.00 0.00 C ATOM 726 C ALA A 49 -1.516 -9.947 8.786 1.00 0.00 C ATOM 727 O ALA A 49 -2.131 -10.000 7.721 1.00 0.00 O ATOM 728 CB ALA A 49 -2.260 -10.434 11.124 1.00 0.00 C ATOM 0 H ALA A 49 -0.139 -11.678 11.093 1.00 0.00 H new ATOM 0 HA ALA A 49 -2.400 -11.767 9.457 1.00 0.00 H new ATOM 0 HB1 ALA A 49 -3.202 -9.930 10.906 1.00 0.00 H new ATOM 0 HB2 ALA A 49 -2.433 -11.228 11.850 1.00 0.00 H new ATOM 0 HB3 ALA A 49 -1.551 -9.715 11.534 1.00 0.00 H new ATOM 734 N GLU A 50 -0.672 -8.966 9.087 1.00 0.00 N ATOM 735 CA GLU A 50 -0.416 -7.868 8.162 1.00 0.00 C ATOM 736 C GLU A 50 0.814 -8.156 7.305 1.00 0.00 C ATOM 737 O GLU A 50 1.890 -8.454 7.825 1.00 0.00 O ATOM 738 CB GLU A 50 -0.221 -6.560 8.929 1.00 0.00 C ATOM 739 CG GLU A 50 -0.659 -5.329 8.153 1.00 0.00 C ATOM 740 CD GLU A 50 0.435 -4.787 7.254 1.00 0.00 C ATOM 741 OE1 GLU A 50 0.980 -5.567 6.444 1.00 0.00 O ATOM 742 OE2 GLU A 50 0.747 -3.582 7.360 1.00 0.00 O ATOM 0 H GLU A 50 -0.154 -8.909 9.964 1.00 0.00 H new ATOM 0 HA GLU A 50 -1.281 -7.770 7.506 1.00 0.00 H new ATOM 0 HB2 GLU A 50 -0.781 -6.609 9.863 1.00 0.00 H new ATOM 0 HB3 GLU A 50 0.831 -6.457 9.194 1.00 0.00 H new ATOM 0 HG2 GLU A 50 -1.532 -5.577 7.549 1.00 0.00 H new ATOM 0 HG3 GLU A 50 -0.966 -4.553 8.854 1.00 0.00 H new ATOM 749 N ARG A 51 0.647 -8.065 5.990 1.00 0.00 N ATOM 750 CA ARG A 51 1.742 -8.317 5.061 1.00 0.00 C ATOM 751 C ARG A 51 2.102 -7.051 4.289 1.00 0.00 C ATOM 752 O ARG A 51 3.253 -6.613 4.295 1.00 0.00 O ATOM 753 CB ARG A 51 1.365 -9.431 4.084 1.00 0.00 C ATOM 754 CG ARG A 51 2.564 -10.155 3.494 1.00 0.00 C ATOM 755 CD ARG A 51 2.160 -11.041 2.326 1.00 0.00 C ATOM 756 NE ARG A 51 3.264 -11.258 1.395 1.00 0.00 N ATOM 757 CZ ARG A 51 3.157 -11.969 0.280 1.00 0.00 C ATOM 758 NH1 ARG A 51 2.000 -12.532 -0.042 1.00 0.00 N ATOM 759 NH2 ARG A 51 4.207 -12.121 -0.517 1.00 0.00 N ATOM 0 H ARG A 51 -0.236 -7.819 5.544 1.00 0.00 H new ATOM 0 HA ARG A 51 2.611 -8.629 5.640 1.00 0.00 H new ATOM 0 HB2 ARG A 51 0.731 -10.154 4.598 1.00 0.00 H new ATOM 0 HB3 ARG A 51 0.772 -9.007 3.273 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.303 -9.426 3.161 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.040 -10.761 4.265 1.00 0.00 H new ATOM 0 HD2 ARG A 51 1.811 -12.002 2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 51 1.324 -10.584 1.797 1.00 0.00 H new ATOM 0 HE ARG A 51 4.168 -10.840 1.614 1.00 0.00 H new ATOM 0 HH11 ARG A 51 1.190 -12.419 0.568 1.00 0.00 H new ATOM 0 HH12 ARG A 51 1.920 -13.078 -0.900 1.00 0.00 H new ATOM 0 HH21 ARG A 51 5.099 -11.691 -0.273 1.00 0.00 H new ATOM 0 HH22 ARG A 51 4.122 -12.668 -1.374 1.00 0.00 H new ATOM 773 N PHE A 52 1.110 -6.466 3.626 1.00 0.00 N ATOM 774 CA PHE A 52 1.322 -5.250 2.848 1.00 0.00 C ATOM 775 C PHE A 52 0.650 -4.054 3.514 1.00 0.00 C ATOM 776 O PHE A 52 -0.264 -4.212 4.323 1.00 0.00 O ATOM 777 CB PHE A 52 0.780 -5.428 1.427 1.00 0.00 C ATOM 778 CG PHE A 52 1.538 -6.443 0.620 1.00 0.00 C ATOM 779 CD1 PHE A 52 2.837 -6.191 0.210 1.00 0.00 C ATOM 780 CD2 PHE A 52 0.951 -7.648 0.271 1.00 0.00 C ATOM 781 CE1 PHE A 52 3.537 -7.123 -0.533 1.00 0.00 C ATOM 782 CE2 PHE A 52 1.646 -8.584 -0.472 1.00 0.00 C ATOM 783 CZ PHE A 52 2.939 -8.321 -0.876 1.00 0.00 C ATOM 0 H PHE A 52 0.151 -6.814 3.612 1.00 0.00 H new ATOM 0 HA PHE A 52 2.394 -5.061 2.800 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -0.267 -5.726 1.481 1.00 0.00 H new ATOM 0 HB3 PHE A 52 0.812 -4.468 0.911 1.00 0.00 H new ATOM 0 HD1 PHE A 52 3.308 -5.256 0.474 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -0.061 -7.859 0.583 1.00 0.00 H new ATOM 0 HE1 PHE A 52 4.550 -6.915 -0.845 1.00 0.00 H new ATOM 0 HE2 PHE A 52 1.177 -9.520 -0.736 1.00 0.00 H new ATOM 0 HZ PHE A 52 3.483 -9.050 -1.459 1.00 0.00 H new ATOM 793 N ALA A 53 1.111 -2.856 3.169 1.00 0.00 N ATOM 794 CA ALA A 53 0.554 -1.632 3.732 1.00 0.00 C ATOM 795 C ALA A 53 0.705 -0.464 2.764 1.00 0.00 C ATOM 796 O ALA A 53 1.578 -0.475 1.894 1.00 0.00 O ATOM 797 CB ALA A 53 1.223 -1.310 5.060 1.00 0.00 C ATOM 0 H ALA A 53 1.869 -2.707 2.502 1.00 0.00 H new ATOM 0 HA ALA A 53 -0.511 -1.792 3.903 1.00 0.00 H new ATOM 0 HB1 ALA A 53 0.797 -0.394 5.469 1.00 0.00 H new ATOM 0 HB2 ALA A 53 1.058 -2.130 5.759 1.00 0.00 H new ATOM 0 HB3 ALA A 53 2.293 -1.175 4.905 1.00 0.00 H new ATOM 803 N ILE A 54 -0.148 0.542 2.920 1.00 0.00 N ATOM 804 CA ILE A 54 -0.109 1.718 2.058 1.00 0.00 C ATOM 805 C ILE A 54 0.077 2.991 2.875 1.00 0.00 C ATOM 806 O ILE A 54 -0.444 3.111 3.985 1.00 0.00 O ATOM 807 CB ILE A 54 -1.393 1.842 1.217 1.00 0.00 C ATOM 808 CG1 ILE A 54 -1.656 0.543 0.454 1.00 0.00 C ATOM 809 CG2 ILE A 54 -1.282 3.015 0.254 1.00 0.00 C ATOM 810 CD1 ILE A 54 -3.122 0.294 0.174 1.00 0.00 C ATOM 0 H ILE A 54 -0.875 0.567 3.635 1.00 0.00 H new ATOM 0 HA ILE A 54 0.742 1.592 1.389 1.00 0.00 H new ATOM 0 HB ILE A 54 -2.233 2.024 1.887 1.00 0.00 H new ATOM 0 HG12 ILE A 54 -1.113 0.570 -0.491 1.00 0.00 H new ATOM 0 HG13 ILE A 54 -1.257 -0.293 1.028 1.00 0.00 H new ATOM 0 HG21 ILE A 54 -2.197 3.091 -0.334 1.00 0.00 H new ATOM 0 HG22 ILE A 54 -1.136 3.936 0.818 1.00 0.00 H new ATOM 0 HG23 ILE A 54 -0.434 2.859 -0.413 1.00 0.00 H new ATOM 0 HD11 ILE A 54 -3.234 -0.644 -0.370 1.00 0.00 H new ATOM 0 HD12 ILE A 54 -3.667 0.235 1.116 1.00 0.00 H new ATOM 0 HD13 ILE A 54 -3.522 1.111 -0.426 1.00 0.00 H new ATOM 822 N SER A 55 0.819 3.943 2.319 1.00 0.00 N ATOM 823 CA SER A 55 1.073 5.209 2.996 1.00 0.00 C ATOM 824 C SER A 55 0.966 6.378 2.022 1.00 0.00 C ATOM 825 O SER A 55 1.729 6.471 1.061 1.00 0.00 O ATOM 826 CB SER A 55 2.461 5.195 3.642 1.00 0.00 C ATOM 827 OG SER A 55 2.750 3.925 4.201 1.00 0.00 O ATOM 0 H SER A 55 1.255 3.861 1.401 1.00 0.00 H new ATOM 0 HA SER A 55 0.318 5.336 3.772 1.00 0.00 H new ATOM 0 HB2 SER A 55 3.215 5.448 2.897 1.00 0.00 H new ATOM 0 HB3 SER A 55 2.512 5.958 4.419 1.00 0.00 H new ATOM 0 HG SER A 55 2.604 3.953 5.170 1.00 0.00 H new ATOM 833 N ILE A 56 0.013 7.268 2.280 1.00 0.00 N ATOM 834 CA ILE A 56 -0.195 8.432 1.427 1.00 0.00 C ATOM 835 C ILE A 56 -0.161 9.721 2.240 1.00 0.00 C ATOM 836 O ILE A 56 -0.177 9.694 3.471 1.00 0.00 O ATOM 837 CB ILE A 56 -1.537 8.347 0.675 1.00 0.00 C ATOM 838 CG1 ILE A 56 -1.873 6.890 0.350 1.00 0.00 C ATOM 839 CG2 ILE A 56 -1.485 9.180 -0.596 1.00 0.00 C ATOM 840 CD1 ILE A 56 -2.646 6.189 1.445 1.00 0.00 C ATOM 0 H ILE A 56 -0.627 7.205 3.072 1.00 0.00 H new ATOM 0 HA ILE A 56 0.618 8.441 0.701 1.00 0.00 H new ATOM 0 HB ILE A 56 -2.322 8.747 1.317 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -2.454 6.857 -0.572 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.948 6.345 0.164 1.00 0.00 H new ATOM 0 HG21 ILE A 56 -2.440 9.110 -1.116 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -1.286 10.221 -0.341 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -0.691 8.807 -1.243 1.00 0.00 H new ATOM 0 HD11 ILE A 56 -2.849 5.161 1.146 1.00 0.00 H new ATOM 0 HD12 ILE A 56 -2.059 6.191 2.363 1.00 0.00 H new ATOM 0 HD13 ILE A 56 -3.588 6.710 1.616 1.00 0.00 H new ATOM 852 N LYS A 57 -0.116 10.852 1.543 1.00 0.00 N ATOM 853 CA LYS A 57 -0.083 12.154 2.198 1.00 0.00 C ATOM 854 C LYS A 57 -1.335 12.960 1.870 1.00 0.00 C ATOM 855 O LYS A 57 -1.542 13.367 0.728 1.00 0.00 O ATOM 856 CB LYS A 57 1.164 12.932 1.771 1.00 0.00 C ATOM 857 CG LYS A 57 1.265 14.312 2.397 1.00 0.00 C ATOM 858 CD LYS A 57 1.797 14.241 3.818 1.00 0.00 C ATOM 859 CE LYS A 57 1.570 15.547 4.565 1.00 0.00 C ATOM 860 NZ LYS A 57 2.451 16.635 4.059 1.00 0.00 N ATOM 0 H LYS A 57 -0.102 10.893 0.524 1.00 0.00 H new ATOM 0 HA LYS A 57 -0.050 11.990 3.275 1.00 0.00 H new ATOM 0 HB2 LYS A 57 2.050 12.356 2.037 1.00 0.00 H new ATOM 0 HB3 LYS A 57 1.164 13.034 0.686 1.00 0.00 H new ATOM 0 HG2 LYS A 57 1.920 14.940 1.793 1.00 0.00 H new ATOM 0 HG3 LYS A 57 0.283 14.785 2.398 1.00 0.00 H new ATOM 0 HD2 LYS A 57 1.307 13.426 4.351 1.00 0.00 H new ATOM 0 HD3 LYS A 57 2.863 14.013 3.798 1.00 0.00 H new ATOM 0 HE2 LYS A 57 0.527 15.847 4.463 1.00 0.00 H new ATOM 0 HE3 LYS A 57 1.755 15.394 5.628 1.00 0.00 H new ATOM 0 HZ1 LYS A 57 2.484 17.407 4.755 1.00 0.00 H new ATOM 0 HZ2 LYS A 57 3.410 16.263 3.908 1.00 0.00 H new ATOM 0 HZ3 LYS A 57 2.075 16.996 3.159 1.00 0.00 H new ATOM 874 N PHE A 58 -2.168 13.189 2.881 1.00 0.00 N ATOM 875 CA PHE A 58 -3.400 13.947 2.700 1.00 0.00 C ATOM 876 C PHE A 58 -3.683 14.824 3.916 1.00 0.00 C ATOM 877 O PHE A 58 -3.306 14.488 5.037 1.00 0.00 O ATOM 878 CB PHE A 58 -4.576 12.998 2.456 1.00 0.00 C ATOM 879 CG PHE A 58 -5.873 13.708 2.186 1.00 0.00 C ATOM 880 CD1 PHE A 58 -5.931 14.747 1.272 1.00 0.00 C ATOM 881 CD2 PHE A 58 -7.032 13.336 2.848 1.00 0.00 C ATOM 882 CE1 PHE A 58 -7.122 15.402 1.021 1.00 0.00 C ATOM 883 CE2 PHE A 58 -8.225 13.987 2.601 1.00 0.00 C ATOM 884 CZ PHE A 58 -8.271 15.022 1.687 1.00 0.00 C ATOM 0 H PHE A 58 -2.011 12.860 3.834 1.00 0.00 H new ATOM 0 HA PHE A 58 -3.276 14.592 1.830 1.00 0.00 H new ATOM 0 HB2 PHE A 58 -4.342 12.352 1.610 1.00 0.00 H new ATOM 0 HB3 PHE A 58 -4.698 12.353 3.326 1.00 0.00 H new ATOM 0 HD1 PHE A 58 -5.035 15.049 0.749 1.00 0.00 H new ATOM 0 HD2 PHE A 58 -7.002 12.529 3.565 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -7.154 16.210 0.305 1.00 0.00 H new ATOM 0 HE2 PHE A 58 -9.122 13.687 3.122 1.00 0.00 H new ATOM 0 HZ PHE A 58 -9.203 15.533 1.494 1.00 0.00 H new ATOM 894 N ASN A 59 -4.349 15.950 3.683 1.00 0.00 N ATOM 895 CA ASN A 59 -4.682 16.877 4.759 1.00 0.00 C ATOM 896 C ASN A 59 -3.432 17.281 5.536 1.00 0.00 C ATOM 897 O ASN A 59 -3.480 17.476 6.751 1.00 0.00 O ATOM 898 CB ASN A 59 -5.703 16.245 5.708 1.00 0.00 C ATOM 899 CG ASN A 59 -6.597 17.278 6.367 1.00 0.00 C ATOM 900 OD1 ASN A 59 -6.343 18.479 6.282 1.00 0.00 O ATOM 901 ND2 ASN A 59 -7.652 16.812 7.027 1.00 0.00 N ATOM 0 H ASN A 59 -4.669 16.243 2.760 1.00 0.00 H new ATOM 0 HA ASN A 59 -5.116 17.771 4.312 1.00 0.00 H new ATOM 0 HB2 ASN A 59 -6.319 15.536 5.155 1.00 0.00 H new ATOM 0 HB3 ASN A 59 -5.178 15.679 6.477 1.00 0.00 H new ATOM 0 HD21 ASN A 59 -8.291 17.459 7.490 1.00 0.00 H new ATOM 0 HD22 ASN A 59 -7.823 15.807 7.071 1.00 0.00 H new ATOM 908 N ASP A 60 -2.316 17.404 4.826 1.00 0.00 N ATOM 909 CA ASP A 60 -1.053 17.786 5.448 1.00 0.00 C ATOM 910 C ASP A 60 -0.651 16.781 6.523 1.00 0.00 C ATOM 911 O ASP A 60 -0.009 17.137 7.510 1.00 0.00 O ATOM 912 CB ASP A 60 -1.163 19.185 6.057 1.00 0.00 C ATOM 913 CG ASP A 60 -1.192 20.274 5.002 1.00 0.00 C ATOM 914 OD1 ASP A 60 -0.361 20.221 4.072 1.00 0.00 O ATOM 915 OD2 ASP A 60 -2.045 21.180 5.108 1.00 0.00 O ATOM 0 H ASP A 60 -2.260 17.245 3.820 1.00 0.00 H new ATOM 0 HA ASP A 60 -0.284 17.793 4.676 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -2.068 19.245 6.662 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -0.320 19.354 6.727 1.00 0.00 H new ATOM 920 N GLU A 61 -1.034 15.523 6.323 1.00 0.00 N ATOM 921 CA GLU A 61 -0.713 14.467 7.276 1.00 0.00 C ATOM 922 C GLU A 61 -0.392 13.162 6.555 1.00 0.00 C ATOM 923 O GLU A 61 -0.786 12.961 5.406 1.00 0.00 O ATOM 924 CB GLU A 61 -1.878 14.253 8.245 1.00 0.00 C ATOM 925 CG GLU A 61 -1.829 15.157 9.465 1.00 0.00 C ATOM 926 CD GLU A 61 -1.054 14.543 10.615 1.00 0.00 C ATOM 927 OE1 GLU A 61 -1.022 13.299 10.712 1.00 0.00 O ATOM 928 OE2 GLU A 61 -0.481 15.308 11.418 1.00 0.00 O ATOM 0 H GLU A 61 -1.566 15.211 5.511 1.00 0.00 H new ATOM 0 HA GLU A 61 0.167 14.777 7.839 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.816 14.422 7.715 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -1.880 13.214 8.573 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -1.372 16.108 9.190 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -2.846 15.375 9.792 1.00 0.00 H new ATOM 935 N VAL A 62 0.327 12.277 7.237 1.00 0.00 N ATOM 936 CA VAL A 62 0.703 10.990 6.663 1.00 0.00 C ATOM 937 C VAL A 62 -0.083 9.852 7.305 1.00 0.00 C ATOM 938 O VAL A 62 0.170 9.478 8.451 1.00 0.00 O ATOM 939 CB VAL A 62 2.210 10.719 6.830 1.00 0.00 C ATOM 940 CG1 VAL A 62 2.620 9.482 6.045 1.00 0.00 C ATOM 941 CG2 VAL A 62 3.020 11.930 6.395 1.00 0.00 C ATOM 0 H VAL A 62 0.661 12.427 8.189 1.00 0.00 H new ATOM 0 HA VAL A 62 0.467 11.036 5.600 1.00 0.00 H new ATOM 0 HB VAL A 62 2.414 10.534 7.885 1.00 0.00 H new ATOM 0 HG11 VAL A 62 3.688 9.306 6.175 1.00 0.00 H new ATOM 0 HG12 VAL A 62 2.063 8.619 6.409 1.00 0.00 H new ATOM 0 HG13 VAL A 62 2.403 9.634 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 62 4.082 11.721 6.520 1.00 0.00 H new ATOM 0 HG22 VAL A 62 2.814 12.148 5.347 1.00 0.00 H new ATOM 0 HG23 VAL A 62 2.745 12.790 7.006 1.00 0.00 H new ATOM 951 N LYS A 63 -1.035 9.303 6.559 1.00 0.00 N ATOM 952 CA LYS A 63 -1.857 8.205 7.053 1.00 0.00 C ATOM 953 C LYS A 63 -1.340 6.865 6.541 1.00 0.00 C ATOM 954 O LYS A 63 -0.773 6.782 5.451 1.00 0.00 O ATOM 955 CB LYS A 63 -3.314 8.399 6.627 1.00 0.00 C ATOM 956 CG LYS A 63 -4.141 9.188 7.628 1.00 0.00 C ATOM 957 CD LYS A 63 -3.547 10.565 7.878 1.00 0.00 C ATOM 958 CE LYS A 63 -3.922 11.542 6.776 1.00 0.00 C ATOM 959 NZ LYS A 63 -5.272 12.133 6.993 1.00 0.00 N ATOM 0 H LYS A 63 -1.257 9.601 5.609 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.801 8.204 8.142 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -3.337 8.911 5.665 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -3.774 7.422 6.479 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -5.161 9.292 7.257 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -4.198 8.639 8.568 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -3.898 10.945 8.837 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -2.462 10.488 7.943 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -3.180 12.339 6.730 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -3.900 11.030 5.814 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -5.490 12.794 6.220 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -5.984 11.375 7.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -5.286 12.644 7.899 1.00 0.00 H new ATOM 973 N HIS A 64 -1.541 5.816 7.333 1.00 0.00 N ATOM 974 CA HIS A 64 -1.097 4.478 6.957 1.00 0.00 C ATOM 975 C HIS A 64 -2.263 3.494 6.974 1.00 0.00 C ATOM 976 O HIS A 64 -2.989 3.394 7.965 1.00 0.00 O ATOM 977 CB HIS A 64 0.004 3.999 7.903 1.00 0.00 C ATOM 978 CG HIS A 64 1.206 4.892 7.925 1.00 0.00 C ATOM 979 ND1 HIS A 64 2.337 4.650 7.175 1.00 0.00 N ATOM 980 CD2 HIS A 64 1.448 6.034 8.611 1.00 0.00 C ATOM 981 CE1 HIS A 64 3.224 5.603 7.400 1.00 0.00 C ATOM 982 NE2 HIS A 64 2.709 6.455 8.267 1.00 0.00 N ATOM 0 H HIS A 64 -2.008 5.867 8.238 1.00 0.00 H new ATOM 0 HA HIS A 64 -0.699 4.525 5.943 1.00 0.00 H new ATOM 0 HB2 HIS A 64 -0.402 3.925 8.912 1.00 0.00 H new ATOM 0 HB3 HIS A 64 0.313 2.996 7.610 1.00 0.00 H new ATOM 0 HD2 HIS A 64 0.775 6.523 9.300 1.00 0.00 H new ATOM 0 HE1 HIS A 64 4.204 5.673 6.951 1.00 0.00 H new ATOM 0 HE2 HIS A 64 3.173 7.291 8.624 1.00 0.00 H new ATOM 991 N ILE A 65 -2.437 2.771 5.873 1.00 0.00 N ATOM 992 CA ILE A 65 -3.514 1.795 5.763 1.00 0.00 C ATOM 993 C ILE A 65 -2.962 0.376 5.674 1.00 0.00 C ATOM 994 O ILE A 65 -2.399 -0.020 4.653 1.00 0.00 O ATOM 995 CB ILE A 65 -4.398 2.069 4.532 1.00 0.00 C ATOM 996 CG1 ILE A 65 -4.942 3.498 4.576 1.00 0.00 C ATOM 997 CG2 ILE A 65 -5.537 1.064 4.464 1.00 0.00 C ATOM 998 CD1 ILE A 65 -5.337 4.036 3.219 1.00 0.00 C ATOM 0 H ILE A 65 -1.846 2.843 5.045 1.00 0.00 H new ATOM 0 HA ILE A 65 -4.121 1.890 6.664 1.00 0.00 H new ATOM 0 HB ILE A 65 -3.790 1.960 3.634 1.00 0.00 H new ATOM 0 HG12 ILE A 65 -5.809 3.528 5.236 1.00 0.00 H new ATOM 0 HG13 ILE A 65 -4.187 4.152 5.012 1.00 0.00 H new ATOM 0 HG21 ILE A 65 -6.153 1.271 3.589 1.00 0.00 H new ATOM 0 HG22 ILE A 65 -5.129 0.056 4.391 1.00 0.00 H new ATOM 0 HG23 ILE A 65 -6.147 1.144 5.364 1.00 0.00 H new ATOM 0 HD11 ILE A 65 -5.714 5.053 3.326 1.00 0.00 H new ATOM 0 HD12 ILE A 65 -4.468 4.039 2.561 1.00 0.00 H new ATOM 0 HD13 ILE A 65 -6.115 3.405 2.790 1.00 0.00 H new ATOM 1010 N LYS A 66 -3.130 -0.387 6.749 1.00 0.00 N ATOM 1011 CA LYS A 66 -2.653 -1.764 6.793 1.00 0.00 C ATOM 1012 C LYS A 66 -3.511 -2.665 5.909 1.00 0.00 C ATOM 1013 O LYS A 66 -4.730 -2.507 5.843 1.00 0.00 O ATOM 1014 CB LYS A 66 -2.663 -2.284 8.232 1.00 0.00 C ATOM 1015 CG LYS A 66 -4.006 -2.129 8.925 1.00 0.00 C ATOM 1016 CD LYS A 66 -4.006 -2.788 10.294 1.00 0.00 C ATOM 1017 CE LYS A 66 -5.396 -3.266 10.682 1.00 0.00 C ATOM 1018 NZ LYS A 66 -5.650 -4.661 10.227 1.00 0.00 N ATOM 0 H LYS A 66 -3.593 -0.074 7.602 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.631 -1.780 6.415 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.384 -3.338 8.231 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -1.904 -1.754 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -4.242 -1.070 9.030 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -4.788 -2.571 8.308 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -3.317 -3.633 10.292 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -3.642 -2.081 11.039 1.00 0.00 H new ATOM 0 HE2 LYS A 66 -5.510 -3.211 11.765 1.00 0.00 H new ATOM 0 HE3 LYS A 66 -6.143 -2.601 10.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 -6.675 -4.825 10.165 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 -5.219 -4.805 9.292 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 -5.234 -5.329 10.907 1.00 0.00 H new ATOM 1032 N VAL A 67 -2.865 -3.611 5.234 1.00 0.00 N ATOM 1033 CA VAL A 67 -3.569 -4.539 4.357 1.00 0.00 C ATOM 1034 C VAL A 67 -3.679 -5.920 4.993 1.00 0.00 C ATOM 1035 O VAL A 67 -2.695 -6.465 5.495 1.00 0.00 O ATOM 1036 CB VAL A 67 -2.865 -4.668 2.994 1.00 0.00 C ATOM 1037 CG1 VAL A 67 -3.664 -5.565 2.061 1.00 0.00 C ATOM 1038 CG2 VAL A 67 -2.650 -3.296 2.373 1.00 0.00 C ATOM 0 H VAL A 67 -1.856 -3.755 5.278 1.00 0.00 H new ATOM 0 HA VAL A 67 -4.569 -4.132 4.203 1.00 0.00 H new ATOM 0 HB VAL A 67 -1.889 -5.127 3.152 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -3.150 -5.643 1.103 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -3.760 -6.556 2.503 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -4.655 -5.139 1.907 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -2.151 -3.407 1.410 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -3.613 -2.807 2.229 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -2.031 -2.690 3.035 1.00 0.00 H new ATOM 1048 N VAL A 68 -4.884 -6.484 4.969 1.00 0.00 N ATOM 1049 CA VAL A 68 -5.122 -7.803 5.543 1.00 0.00 C ATOM 1050 C VAL A 68 -5.345 -8.843 4.451 1.00 0.00 C ATOM 1051 O VAL A 68 -6.092 -8.611 3.502 1.00 0.00 O ATOM 1052 CB VAL A 68 -6.341 -7.793 6.484 1.00 0.00 C ATOM 1053 CG1 VAL A 68 -6.838 -9.210 6.727 1.00 0.00 C ATOM 1054 CG2 VAL A 68 -5.994 -7.109 7.796 1.00 0.00 C ATOM 0 H VAL A 68 -5.709 -6.048 4.558 1.00 0.00 H new ATOM 0 HA VAL A 68 -4.233 -8.066 6.116 1.00 0.00 H new ATOM 0 HB VAL A 68 -7.143 -7.229 6.008 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -7.700 -9.184 7.394 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -7.127 -9.662 5.778 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -6.044 -9.801 7.183 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -6.867 -7.111 8.449 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -5.177 -7.644 8.280 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -5.689 -6.081 7.601 1.00 0.00 H new ATOM 1064 N GLU A 69 -4.689 -9.991 4.593 1.00 0.00 N ATOM 1065 CA GLU A 69 -4.816 -11.068 3.618 1.00 0.00 C ATOM 1066 C GLU A 69 -5.454 -12.302 4.250 1.00 0.00 C ATOM 1067 O GLU A 69 -4.819 -13.016 5.026 1.00 0.00 O ATOM 1068 CB GLU A 69 -3.445 -11.429 3.042 1.00 0.00 C ATOM 1069 CG GLU A 69 -3.507 -12.017 1.643 1.00 0.00 C ATOM 1070 CD GLU A 69 -3.722 -13.518 1.649 1.00 0.00 C ATOM 1071 OE1 GLU A 69 -3.299 -14.173 2.624 1.00 0.00 O ATOM 1072 OE2 GLU A 69 -4.313 -14.037 0.679 1.00 0.00 O ATOM 0 H GLU A 69 -4.065 -10.199 5.373 1.00 0.00 H new ATOM 0 HA GLU A 69 -5.461 -10.719 2.812 1.00 0.00 H new ATOM 0 HB2 GLU A 69 -2.821 -10.535 3.024 1.00 0.00 H new ATOM 0 HB3 GLU A 69 -2.958 -12.144 3.706 1.00 0.00 H new ATOM 0 HG2 GLU A 69 -4.315 -11.540 1.088 1.00 0.00 H new ATOM 0 HG3 GLU A 69 -2.581 -11.789 1.116 1.00 0.00 H new ATOM 1079 N LYS A 70 -6.716 -12.546 3.912 1.00 0.00 N ATOM 1080 CA LYS A 70 -7.443 -13.693 4.444 1.00 0.00 C ATOM 1081 C LYS A 70 -8.312 -14.333 3.367 1.00 0.00 C ATOM 1082 O LYS A 70 -8.832 -13.648 2.486 1.00 0.00 O ATOM 1083 CB LYS A 70 -8.313 -13.266 5.629 1.00 0.00 C ATOM 1084 CG LYS A 70 -8.547 -14.374 6.642 1.00 0.00 C ATOM 1085 CD LYS A 70 -8.817 -13.814 8.028 1.00 0.00 C ATOM 1086 CE LYS A 70 -10.251 -13.326 8.163 1.00 0.00 C ATOM 1087 NZ LYS A 70 -10.414 -11.936 7.651 1.00 0.00 N ATOM 0 H LYS A 70 -7.257 -11.964 3.272 1.00 0.00 H new ATOM 0 HA LYS A 70 -6.714 -14.429 4.783 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -7.841 -12.421 6.130 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -9.276 -12.917 5.255 1.00 0.00 H new ATOM 0 HG2 LYS A 70 -9.392 -14.986 6.325 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -7.675 -15.027 6.676 1.00 0.00 H new ATOM 0 HD2 LYS A 70 -8.621 -14.582 8.776 1.00 0.00 H new ATOM 0 HD3 LYS A 70 -8.131 -12.991 8.229 1.00 0.00 H new ATOM 0 HE2 LYS A 70 -10.915 -13.995 7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 70 -10.551 -13.365 9.210 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 -11.152 -11.449 8.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 -9.515 -11.423 7.748 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 -10.689 -11.965 6.648 1.00 0.00 H new ATOM 1101 N ASP A 71 -8.467 -15.651 3.444 1.00 0.00 N ATOM 1102 CA ASP A 71 -9.275 -16.384 2.476 1.00 0.00 C ATOM 1103 C ASP A 71 -8.771 -16.147 1.057 1.00 0.00 C ATOM 1104 O ASP A 71 -9.560 -16.016 0.122 1.00 0.00 O ATOM 1105 CB ASP A 71 -10.742 -15.966 2.586 1.00 0.00 C ATOM 1106 CG ASP A 71 -11.341 -16.304 3.938 1.00 0.00 C ATOM 1107 OD1 ASP A 71 -11.024 -17.386 4.473 1.00 0.00 O ATOM 1108 OD2 ASP A 71 -12.127 -15.486 4.460 1.00 0.00 O ATOM 0 H ASP A 71 -8.044 -16.233 4.167 1.00 0.00 H new ATOM 0 HA ASP A 71 -9.190 -17.448 2.699 1.00 0.00 H new ATOM 0 HB2 ASP A 71 -10.825 -14.893 2.413 1.00 0.00 H new ATOM 0 HB3 ASP A 71 -11.317 -16.460 1.803 1.00 0.00 H new ATOM 1113 N ASN A 72 -7.452 -16.091 0.903 1.00 0.00 N ATOM 1114 CA ASN A 72 -6.843 -15.868 -0.402 1.00 0.00 C ATOM 1115 C ASN A 72 -7.354 -14.573 -1.027 1.00 0.00 C ATOM 1116 O ASN A 72 -7.589 -14.506 -2.234 1.00 0.00 O ATOM 1117 CB ASN A 72 -7.135 -17.046 -1.333 1.00 0.00 C ATOM 1118 CG ASN A 72 -6.300 -18.268 -0.999 1.00 0.00 C ATOM 1119 OD1 ASN A 72 -5.408 -18.211 -0.153 1.00 0.00 O ATOM 1120 ND2 ASN A 72 -6.589 -19.381 -1.664 1.00 0.00 N ATOM 0 H ASN A 72 -6.784 -16.197 1.667 1.00 0.00 H new ATOM 0 HA ASN A 72 -5.765 -15.783 -0.262 1.00 0.00 H new ATOM 0 HB2 ASN A 72 -8.192 -17.303 -1.269 1.00 0.00 H new ATOM 0 HB3 ASN A 72 -6.942 -16.748 -2.363 1.00 0.00 H new ATOM 0 HD21 ASN A 72 -6.062 -20.235 -1.482 1.00 0.00 H new ATOM 0 HD22 ASN A 72 -7.338 -19.381 -2.357 1.00 0.00 H new ATOM 1127 N TRP A 73 -7.522 -13.549 -0.199 1.00 0.00 N ATOM 1128 CA TRP A 73 -8.004 -12.256 -0.670 1.00 0.00 C ATOM 1129 C TRP A 73 -7.324 -11.115 0.078 1.00 0.00 C ATOM 1130 O TRP A 73 -6.750 -11.318 1.148 1.00 0.00 O ATOM 1131 CB TRP A 73 -9.522 -12.162 -0.498 1.00 0.00 C ATOM 1132 CG TRP A 73 -10.267 -13.268 -1.180 1.00 0.00 C ATOM 1133 CD1 TRP A 73 -11.152 -14.136 -0.606 1.00 0.00 C ATOM 1134 CD2 TRP A 73 -10.191 -13.625 -2.565 1.00 0.00 C ATOM 1135 NE1 TRP A 73 -11.631 -15.012 -1.551 1.00 0.00 N ATOM 1136 CE2 TRP A 73 -11.058 -14.719 -2.760 1.00 0.00 C ATOM 1137 CE3 TRP A 73 -9.479 -13.126 -3.659 1.00 0.00 C ATOM 1138 CZ2 TRP A 73 -11.227 -15.320 -4.005 1.00 0.00 C ATOM 1139 CZ3 TRP A 73 -9.647 -13.725 -4.892 1.00 0.00 C ATOM 1140 CH2 TRP A 73 -10.517 -14.812 -5.058 1.00 0.00 C ATOM 0 H TRP A 73 -7.332 -13.589 0.802 1.00 0.00 H new ATOM 0 HA TRP A 73 -7.758 -12.168 -1.728 1.00 0.00 H new ATOM 0 HB2 TRP A 73 -9.761 -12.174 0.565 1.00 0.00 H new ATOM 0 HB3 TRP A 73 -9.866 -11.205 -0.891 1.00 0.00 H new ATOM 0 HD1 TRP A 73 -11.434 -14.134 0.437 1.00 0.00 H new ATOM 0 HE1 TRP A 73 -12.304 -15.759 -1.380 1.00 0.00 H new ATOM 0 HE3 TRP A 73 -8.809 -12.287 -3.542 1.00 0.00 H new ATOM 0 HZ2 TRP A 73 -11.896 -16.158 -4.135 1.00 0.00 H new ATOM 0 HZ3 TRP A 73 -9.099 -13.350 -5.743 1.00 0.00 H new ATOM 0 HH2 TRP A 73 -10.629 -15.257 -6.036 1.00 0.00 H new ATOM 1151 N ILE A 74 -7.390 -9.917 -0.491 1.00 0.00 N ATOM 1152 CA ILE A 74 -6.781 -8.744 0.123 1.00 0.00 C ATOM 1153 C ILE A 74 -7.810 -7.642 0.345 1.00 0.00 C ATOM 1154 O ILE A 74 -8.524 -7.248 -0.578 1.00 0.00 O ATOM 1155 CB ILE A 74 -5.631 -8.191 -0.738 1.00 0.00 C ATOM 1156 CG1 ILE A 74 -4.336 -8.951 -0.448 1.00 0.00 C ATOM 1157 CG2 ILE A 74 -5.446 -6.702 -0.483 1.00 0.00 C ATOM 1158 CD1 ILE A 74 -3.405 -9.038 -1.637 1.00 0.00 C ATOM 0 H ILE A 74 -7.860 -9.733 -1.377 1.00 0.00 H new ATOM 0 HA ILE A 74 -6.382 -9.064 1.086 1.00 0.00 H new ATOM 0 HB ILE A 74 -5.885 -8.331 -1.789 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -3.815 -8.463 0.376 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -4.583 -9.959 -0.116 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -4.629 -6.326 -1.099 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -6.365 -6.173 -0.736 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -5.211 -6.539 0.569 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -2.508 -9.590 -1.357 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -3.908 -9.553 -2.456 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -3.128 -8.033 -1.956 1.00 0.00 H new ATOM 1170 N HIS A 75 -7.882 -7.146 1.577 1.00 0.00 N ATOM 1171 CA HIS A 75 -8.824 -6.085 1.920 1.00 0.00 C ATOM 1172 C HIS A 75 -8.321 -5.279 3.114 1.00 0.00 C ATOM 1173 O HIS A 75 -7.362 -5.670 3.779 1.00 0.00 O ATOM 1174 CB HIS A 75 -10.198 -6.676 2.232 1.00 0.00 C ATOM 1175 CG HIS A 75 -10.171 -7.724 3.301 1.00 0.00 C ATOM 1176 ND1 HIS A 75 -9.825 -7.457 4.609 1.00 0.00 N ATOM 1177 CD2 HIS A 75 -10.451 -9.048 3.251 1.00 0.00 C ATOM 1178 CE1 HIS A 75 -9.892 -8.570 5.317 1.00 0.00 C ATOM 1179 NE2 HIS A 75 -10.270 -9.550 4.517 1.00 0.00 N ATOM 0 H HIS A 75 -7.300 -7.461 2.353 1.00 0.00 H new ATOM 0 HA HIS A 75 -8.910 -5.417 1.063 1.00 0.00 H new ATOM 0 HB2 HIS A 75 -10.868 -5.873 2.539 1.00 0.00 H new ATOM 0 HB3 HIS A 75 -10.614 -7.108 1.322 1.00 0.00 H new ATOM 0 HD2 HIS A 75 -10.759 -9.605 2.379 1.00 0.00 H new ATOM 0 HE1 HIS A 75 -9.675 -8.663 6.371 1.00 0.00 H new ATOM 0 HE2 HIS A 75 -10.406 -10.522 4.794 1.00 0.00 H new ATOM 1188 N ILE A 76 -8.975 -4.152 3.377 1.00 0.00 N ATOM 1189 CA ILE A 76 -8.594 -3.291 4.489 1.00 0.00 C ATOM 1190 C ILE A 76 -9.800 -2.952 5.359 1.00 0.00 C ATOM 1191 O ILE A 76 -10.862 -2.587 4.854 1.00 0.00 O ATOM 1192 CB ILE A 76 -7.948 -1.984 3.995 1.00 0.00 C ATOM 1193 CG1 ILE A 76 -8.870 -1.278 2.999 1.00 0.00 C ATOM 1194 CG2 ILE A 76 -6.594 -2.269 3.361 1.00 0.00 C ATOM 1195 CD1 ILE A 76 -8.395 0.104 2.609 1.00 0.00 C ATOM 0 H ILE A 76 -9.771 -3.815 2.835 1.00 0.00 H new ATOM 0 HA ILE A 76 -7.865 -3.845 5.081 1.00 0.00 H new ATOM 0 HB ILE A 76 -7.796 -1.326 4.850 1.00 0.00 H new ATOM 0 HG12 ILE A 76 -8.958 -1.890 2.101 1.00 0.00 H new ATOM 0 HG13 ILE A 76 -9.868 -1.202 3.431 1.00 0.00 H new ATOM 0 HG21 ILE A 76 -6.150 -1.335 3.017 1.00 0.00 H new ATOM 0 HG22 ILE A 76 -5.938 -2.733 4.097 1.00 0.00 H new ATOM 0 HG23 ILE A 76 -6.723 -2.943 2.514 1.00 0.00 H new ATOM 0 HD11 ILE A 76 -9.097 0.544 1.901 1.00 0.00 H new ATOM 0 HD12 ILE A 76 -8.334 0.732 3.498 1.00 0.00 H new ATOM 0 HD13 ILE A 76 -7.410 0.033 2.147 1.00 0.00 H new ATOM 1207 N THR A 77 -9.629 -3.071 6.673 1.00 0.00 N ATOM 1208 CA THR A 77 -10.702 -2.776 7.613 1.00 0.00 C ATOM 1209 C THR A 77 -12.011 -3.420 7.173 1.00 0.00 C ATOM 1210 O THR A 77 -13.093 -2.954 7.530 1.00 0.00 O ATOM 1211 CB THR A 77 -10.914 -1.258 7.765 1.00 0.00 C ATOM 1212 OG1 THR A 77 -11.796 -0.994 8.862 1.00 0.00 O ATOM 1213 CG2 THR A 77 -11.491 -0.662 6.489 1.00 0.00 C ATOM 0 H THR A 77 -8.757 -3.370 7.109 1.00 0.00 H new ATOM 0 HA THR A 77 -10.402 -3.191 8.575 1.00 0.00 H new ATOM 0 HB THR A 77 -9.946 -0.796 7.958 1.00 0.00 H new ATOM 0 HG1 THR A 77 -12.607 -1.535 8.767 1.00 0.00 H new ATOM 0 HG21 THR A 77 -11.632 0.411 6.620 1.00 0.00 H new ATOM 0 HG22 THR A 77 -10.804 -0.839 5.662 1.00 0.00 H new ATOM 0 HG23 THR A 77 -12.451 -1.130 6.270 1.00 0.00 H new ATOM 1221 N GLU A 78 -11.906 -4.493 6.396 1.00 0.00 N ATOM 1222 CA GLU A 78 -13.084 -5.201 5.907 1.00 0.00 C ATOM 1223 C GLU A 78 -13.938 -4.292 5.028 1.00 0.00 C ATOM 1224 O GLU A 78 -15.166 -4.310 5.106 1.00 0.00 O ATOM 1225 CB GLU A 78 -13.916 -5.722 7.080 1.00 0.00 C ATOM 1226 CG GLU A 78 -13.501 -7.105 7.554 1.00 0.00 C ATOM 1227 CD GLU A 78 -13.888 -7.368 8.996 1.00 0.00 C ATOM 1228 OE1 GLU A 78 -13.799 -6.429 9.814 1.00 0.00 O ATOM 1229 OE2 GLU A 78 -14.279 -8.513 9.307 1.00 0.00 O ATOM 0 H GLU A 78 -11.018 -4.891 6.091 1.00 0.00 H new ATOM 0 HA GLU A 78 -12.746 -6.046 5.307 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -13.834 -5.022 7.912 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -14.966 -5.747 6.787 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -13.963 -7.858 6.915 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -12.422 -7.213 7.446 1.00 0.00 H new ATOM 1236 N ALA A 79 -13.278 -3.497 4.192 1.00 0.00 N ATOM 1237 CA ALA A 79 -13.976 -2.582 3.297 1.00 0.00 C ATOM 1238 C ALA A 79 -14.290 -3.252 1.963 1.00 0.00 C ATOM 1239 O ALA A 79 -15.455 -3.453 1.617 1.00 0.00 O ATOM 1240 CB ALA A 79 -13.147 -1.326 3.076 1.00 0.00 C ATOM 0 H ALA A 79 -12.261 -3.468 4.116 1.00 0.00 H new ATOM 0 HA ALA A 79 -14.920 -2.304 3.765 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -13.680 -0.652 2.406 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -12.977 -0.829 4.031 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -12.189 -1.596 2.632 1.00 0.00 H new ATOM 1246 N LYS A 80 -13.245 -3.596 1.218 1.00 0.00 N ATOM 1247 CA LYS A 80 -13.410 -4.244 -0.078 1.00 0.00 C ATOM 1248 C LYS A 80 -12.321 -5.287 -0.305 1.00 0.00 C ATOM 1249 O LYS A 80 -11.178 -5.110 0.115 1.00 0.00 O ATOM 1250 CB LYS A 80 -13.376 -3.203 -1.199 1.00 0.00 C ATOM 1251 CG LYS A 80 -13.309 -3.810 -2.590 1.00 0.00 C ATOM 1252 CD LYS A 80 -14.697 -4.072 -3.151 1.00 0.00 C ATOM 1253 CE LYS A 80 -14.708 -3.993 -4.670 1.00 0.00 C ATOM 1254 NZ LYS A 80 -14.431 -5.316 -5.296 1.00 0.00 N ATOM 0 H LYS A 80 -12.275 -3.437 1.489 1.00 0.00 H new ATOM 0 HA LYS A 80 -14.378 -4.746 -0.086 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -14.264 -2.575 -1.128 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -12.514 -2.552 -1.053 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -12.767 -3.138 -3.256 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -12.748 -4.744 -2.554 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -15.039 -5.057 -2.834 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -15.399 -3.345 -2.743 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -15.678 -3.627 -5.008 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -13.962 -3.271 -5.002 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -14.114 -5.176 -6.277 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -13.688 -5.806 -4.758 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -15.298 -5.891 -5.291 1.00 0.00 H new ATOM 1268 N LYS A 81 -12.683 -6.376 -0.976 1.00 0.00 N ATOM 1269 CA LYS A 81 -11.737 -7.449 -1.263 1.00 0.00 C ATOM 1270 C LYS A 81 -11.287 -7.401 -2.719 1.00 0.00 C ATOM 1271 O LYS A 81 -12.073 -7.092 -3.614 1.00 0.00 O ATOM 1272 CB LYS A 81 -12.369 -8.809 -0.957 1.00 0.00 C ATOM 1273 CG LYS A 81 -12.791 -8.972 0.493 1.00 0.00 C ATOM 1274 CD LYS A 81 -14.190 -8.429 0.731 1.00 0.00 C ATOM 1275 CE LYS A 81 -14.471 -8.245 2.214 1.00 0.00 C ATOM 1276 NZ LYS A 81 -14.459 -9.542 2.946 1.00 0.00 N ATOM 0 H LYS A 81 -13.625 -6.539 -1.331 1.00 0.00 H new ATOM 0 HA LYS A 81 -10.863 -7.310 -0.626 1.00 0.00 H new ATOM 0 HB2 LYS A 81 -13.240 -8.948 -1.598 1.00 0.00 H new ATOM 0 HB3 LYS A 81 -11.658 -9.596 -1.210 1.00 0.00 H new ATOM 0 HG2 LYS A 81 -12.758 -10.027 0.766 1.00 0.00 H new ATOM 0 HG3 LYS A 81 -12.083 -8.453 1.139 1.00 0.00 H new ATOM 0 HD2 LYS A 81 -14.303 -7.475 0.217 1.00 0.00 H new ATOM 0 HD3 LYS A 81 -14.924 -9.111 0.302 1.00 0.00 H new ATOM 0 HE2 LYS A 81 -13.725 -7.578 2.645 1.00 0.00 H new ATOM 0 HE3 LYS A 81 -15.441 -7.764 2.343 1.00 0.00 H new ATOM 0 HZ1 LYS A 81 -14.688 -9.378 3.947 1.00 0.00 H new ATOM 0 HZ2 LYS A 81 -15.165 -10.182 2.530 1.00 0.00 H new ATOM 0 HZ3 LYS A 81 -13.515 -9.973 2.873 1.00 0.00 H new ATOM 1290 N PHE A 82 -10.014 -7.710 -2.950 1.00 0.00 N ATOM 1291 CA PHE A 82 -9.459 -7.703 -4.298 1.00 0.00 C ATOM 1292 C PHE A 82 -8.640 -8.964 -4.555 1.00 0.00 C ATOM 1293 O PHE A 82 -8.195 -9.630 -3.621 1.00 0.00 O ATOM 1294 CB PHE A 82 -8.586 -6.463 -4.507 1.00 0.00 C ATOM 1295 CG PHE A 82 -9.374 -5.192 -4.638 1.00 0.00 C ATOM 1296 CD1 PHE A 82 -10.170 -4.967 -5.750 1.00 0.00 C ATOM 1297 CD2 PHE A 82 -9.317 -4.221 -3.651 1.00 0.00 C ATOM 1298 CE1 PHE A 82 -10.896 -3.796 -5.873 1.00 0.00 C ATOM 1299 CE2 PHE A 82 -10.041 -3.049 -3.769 1.00 0.00 C ATOM 1300 CZ PHE A 82 -10.831 -2.837 -4.882 1.00 0.00 C ATOM 0 H PHE A 82 -9.349 -7.968 -2.221 1.00 0.00 H new ATOM 0 HA PHE A 82 -10.288 -7.679 -5.005 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -7.896 -6.369 -3.669 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -7.982 -6.601 -5.404 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -10.224 -5.714 -6.529 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -8.700 -4.382 -2.779 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -11.513 -3.632 -6.744 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -9.989 -2.301 -2.992 1.00 0.00 H new ATOM 0 HZ PHE A 82 -11.397 -1.922 -4.977 1.00 0.00 H new ATOM 1310 N ASP A 83 -8.446 -9.287 -5.830 1.00 0.00 N ATOM 1311 CA ASP A 83 -7.681 -10.468 -6.212 1.00 0.00 C ATOM 1312 C ASP A 83 -6.235 -10.355 -5.738 1.00 0.00 C ATOM 1313 O ASP A 83 -5.517 -11.352 -5.662 1.00 0.00 O ATOM 1314 CB ASP A 83 -7.720 -10.659 -7.729 1.00 0.00 C ATOM 1315 CG ASP A 83 -9.039 -11.234 -8.206 1.00 0.00 C ATOM 1316 OD1 ASP A 83 -9.566 -12.145 -7.534 1.00 0.00 O ATOM 1317 OD2 ASP A 83 -9.543 -10.775 -9.252 1.00 0.00 O ATOM 0 H ASP A 83 -8.808 -8.747 -6.616 1.00 0.00 H new ATOM 0 HA ASP A 83 -8.135 -11.335 -5.733 1.00 0.00 H new ATOM 0 HB2 ASP A 83 -7.547 -9.700 -8.218 1.00 0.00 H new ATOM 0 HB3 ASP A 83 -6.908 -11.321 -8.030 1.00 0.00 H new ATOM 1322 N SER A 84 -5.815 -9.134 -5.424 1.00 0.00 N ATOM 1323 CA SER A 84 -4.452 -8.890 -4.962 1.00 0.00 C ATOM 1324 C SER A 84 -4.277 -7.437 -4.530 1.00 0.00 C ATOM 1325 O SER A 84 -5.220 -6.645 -4.579 1.00 0.00 O ATOM 1326 CB SER A 84 -3.449 -9.230 -6.066 1.00 0.00 C ATOM 1327 OG SER A 84 -3.134 -10.611 -6.061 1.00 0.00 O ATOM 0 H SER A 84 -6.397 -8.299 -5.481 1.00 0.00 H new ATOM 0 HA SER A 84 -4.266 -9.532 -4.101 1.00 0.00 H new ATOM 0 HB2 SER A 84 -3.862 -8.952 -7.035 1.00 0.00 H new ATOM 0 HB3 SER A 84 -2.539 -8.646 -5.928 1.00 0.00 H new ATOM 0 HG SER A 84 -3.959 -11.135 -6.137 1.00 0.00 H new ATOM 1333 N LEU A 85 -3.067 -7.094 -4.106 1.00 0.00 N ATOM 1334 CA LEU A 85 -2.766 -5.737 -3.665 1.00 0.00 C ATOM 1335 C LEU A 85 -2.920 -4.744 -4.812 1.00 0.00 C ATOM 1336 O LEU A 85 -3.631 -3.745 -4.692 1.00 0.00 O ATOM 1337 CB LEU A 85 -1.346 -5.666 -3.102 1.00 0.00 C ATOM 1338 CG LEU A 85 -0.750 -4.264 -2.955 1.00 0.00 C ATOM 1339 CD1 LEU A 85 -1.461 -3.496 -1.852 1.00 0.00 C ATOM 1340 CD2 LEU A 85 0.743 -4.346 -2.673 1.00 0.00 C ATOM 0 H LEU A 85 -2.277 -7.737 -4.058 1.00 0.00 H new ATOM 0 HA LEU A 85 -3.475 -5.471 -2.881 1.00 0.00 H new ATOM 0 HB2 LEU A 85 -1.340 -6.146 -2.123 1.00 0.00 H new ATOM 0 HB3 LEU A 85 -0.691 -6.251 -3.747 1.00 0.00 H new ATOM 0 HG LEU A 85 -0.893 -3.728 -3.894 1.00 0.00 H new ATOM 0 HD11 LEU A 85 -1.024 -2.501 -1.761 1.00 0.00 H new ATOM 0 HD12 LEU A 85 -2.520 -3.407 -2.095 1.00 0.00 H new ATOM 0 HD13 LEU A 85 -1.349 -4.029 -0.908 1.00 0.00 H new ATOM 0 HD21 LEU A 85 1.150 -3.340 -2.571 1.00 0.00 H new ATOM 0 HD22 LEU A 85 0.909 -4.899 -1.749 1.00 0.00 H new ATOM 0 HD23 LEU A 85 1.241 -4.857 -3.497 1.00 0.00 H new ATOM 1352 N LEU A 86 -2.253 -5.026 -5.925 1.00 0.00 N ATOM 1353 CA LEU A 86 -2.317 -4.159 -7.097 1.00 0.00 C ATOM 1354 C LEU A 86 -3.742 -3.667 -7.333 1.00 0.00 C ATOM 1355 O LEU A 86 -3.978 -2.470 -7.486 1.00 0.00 O ATOM 1356 CB LEU A 86 -1.810 -4.902 -8.334 1.00 0.00 C ATOM 1357 CG LEU A 86 -1.816 -4.110 -9.642 1.00 0.00 C ATOM 1358 CD1 LEU A 86 -0.869 -2.924 -9.553 1.00 0.00 C ATOM 1359 CD2 LEU A 86 -1.440 -5.008 -10.812 1.00 0.00 C ATOM 0 H LEU A 86 -1.661 -5.849 -6.041 1.00 0.00 H new ATOM 0 HA LEU A 86 -1.679 -3.294 -6.914 1.00 0.00 H new ATOM 0 HB2 LEU A 86 -0.791 -5.237 -8.140 1.00 0.00 H new ATOM 0 HB3 LEU A 86 -2.418 -5.796 -8.471 1.00 0.00 H new ATOM 0 HG LEU A 86 -2.824 -3.732 -9.810 1.00 0.00 H new ATOM 0 HD11 LEU A 86 -0.887 -2.373 -10.493 1.00 0.00 H new ATOM 0 HD12 LEU A 86 -1.183 -2.268 -8.741 1.00 0.00 H new ATOM 0 HD13 LEU A 86 0.143 -3.280 -9.361 1.00 0.00 H new ATOM 0 HD21 LEU A 86 -1.450 -4.427 -11.734 1.00 0.00 H new ATOM 0 HD22 LEU A 86 -0.442 -5.417 -10.651 1.00 0.00 H new ATOM 0 HD23 LEU A 86 -2.158 -5.824 -10.890 1.00 0.00 H new ATOM 1371 N GLU A 87 -4.688 -4.601 -7.359 1.00 0.00 N ATOM 1372 CA GLU A 87 -6.090 -4.262 -7.575 1.00 0.00 C ATOM 1373 C GLU A 87 -6.548 -3.190 -6.591 1.00 0.00 C ATOM 1374 O GLU A 87 -7.205 -2.221 -6.971 1.00 0.00 O ATOM 1375 CB GLU A 87 -6.966 -5.509 -7.433 1.00 0.00 C ATOM 1376 CG GLU A 87 -7.126 -6.290 -8.727 1.00 0.00 C ATOM 1377 CD GLU A 87 -8.448 -7.030 -8.802 1.00 0.00 C ATOM 1378 OE1 GLU A 87 -9.017 -7.336 -7.733 1.00 0.00 O ATOM 1379 OE2 GLU A 87 -8.911 -7.304 -9.928 1.00 0.00 O ATOM 0 H GLU A 87 -4.509 -5.597 -7.233 1.00 0.00 H new ATOM 0 HA GLU A 87 -6.191 -3.869 -8.587 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -6.534 -6.162 -6.675 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -7.951 -5.212 -7.073 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -7.048 -5.606 -9.572 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -6.308 -7.005 -8.819 1.00 0.00 H new ATOM 1386 N LEU A 88 -6.196 -3.372 -5.322 1.00 0.00 N ATOM 1387 CA LEU A 88 -6.571 -2.421 -4.281 1.00 0.00 C ATOM 1388 C LEU A 88 -6.037 -1.027 -4.598 1.00 0.00 C ATOM 1389 O LEU A 88 -6.731 -0.028 -4.410 1.00 0.00 O ATOM 1390 CB LEU A 88 -6.041 -2.885 -2.923 1.00 0.00 C ATOM 1391 CG LEU A 88 -6.337 -1.968 -1.737 1.00 0.00 C ATOM 1392 CD1 LEU A 88 -6.362 -2.763 -0.441 1.00 0.00 C ATOM 1393 CD2 LEU A 88 -5.310 -0.848 -1.659 1.00 0.00 C ATOM 0 H LEU A 88 -5.652 -4.168 -4.990 1.00 0.00 H new ATOM 0 HA LEU A 88 -7.659 -2.373 -4.243 1.00 0.00 H new ATOM 0 HB2 LEU A 88 -6.460 -3.868 -2.709 1.00 0.00 H new ATOM 0 HB3 LEU A 88 -4.961 -3.008 -3.000 1.00 0.00 H new ATOM 0 HG LEU A 88 -7.320 -1.522 -1.884 1.00 0.00 H new ATOM 0 HD11 LEU A 88 -6.574 -2.093 0.393 1.00 0.00 H new ATOM 0 HD12 LEU A 88 -7.136 -3.528 -0.498 1.00 0.00 H new ATOM 0 HD13 LEU A 88 -5.393 -3.238 -0.287 1.00 0.00 H new ATOM 0 HD21 LEU A 88 -5.537 -0.205 -0.809 1.00 0.00 H new ATOM 0 HD22 LEU A 88 -4.315 -1.275 -1.536 1.00 0.00 H new ATOM 0 HD23 LEU A 88 -5.342 -0.261 -2.577 1.00 0.00 H new ATOM 1405 N VAL A 89 -4.800 -0.969 -5.082 1.00 0.00 N ATOM 1406 CA VAL A 89 -4.174 0.301 -5.429 1.00 0.00 C ATOM 1407 C VAL A 89 -4.846 0.932 -6.642 1.00 0.00 C ATOM 1408 O VAL A 89 -5.330 2.062 -6.579 1.00 0.00 O ATOM 1409 CB VAL A 89 -2.672 0.125 -5.722 1.00 0.00 C ATOM 1410 CG1 VAL A 89 -2.044 1.455 -6.108 1.00 0.00 C ATOM 1411 CG2 VAL A 89 -1.962 -0.480 -4.519 1.00 0.00 C ATOM 0 H VAL A 89 -4.212 -1.787 -5.243 1.00 0.00 H new ATOM 0 HA VAL A 89 -4.294 0.958 -4.568 1.00 0.00 H new ATOM 0 HB VAL A 89 -2.561 -0.560 -6.563 1.00 0.00 H new ATOM 0 HG11 VAL A 89 -0.983 1.311 -6.311 1.00 0.00 H new ATOM 0 HG12 VAL A 89 -2.535 1.844 -7.000 1.00 0.00 H new ATOM 0 HG13 VAL A 89 -2.164 2.165 -5.290 1.00 0.00 H new ATOM 0 HG21 VAL A 89 -0.902 -0.597 -4.743 1.00 0.00 H new ATOM 0 HG22 VAL A 89 -2.080 0.178 -3.658 1.00 0.00 H new ATOM 0 HG23 VAL A 89 -2.395 -1.454 -4.293 1.00 0.00 H new ATOM 1421 N GLU A 90 -4.874 0.194 -7.747 1.00 0.00 N ATOM 1422 CA GLU A 90 -5.488 0.682 -8.977 1.00 0.00 C ATOM 1423 C GLU A 90 -6.903 1.190 -8.714 1.00 0.00 C ATOM 1424 O GLU A 90 -7.365 2.132 -9.356 1.00 0.00 O ATOM 1425 CB GLU A 90 -5.520 -0.425 -10.033 1.00 0.00 C ATOM 1426 CG GLU A 90 -4.143 -0.839 -10.522 1.00 0.00 C ATOM 1427 CD GLU A 90 -3.545 0.159 -11.496 1.00 0.00 C ATOM 1428 OE1 GLU A 90 -2.929 1.142 -11.034 1.00 0.00 O ATOM 1429 OE2 GLU A 90 -3.696 -0.042 -12.719 1.00 0.00 O ATOM 0 H GLU A 90 -4.479 -0.744 -7.816 1.00 0.00 H new ATOM 0 HA GLU A 90 -4.886 1.511 -9.349 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -6.026 -1.297 -9.618 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -6.112 -0.087 -10.884 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -3.476 -0.951 -9.667 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -4.211 -1.815 -11.003 1.00 0.00 H new ATOM 1436 N TYR A 91 -7.586 0.557 -7.766 1.00 0.00 N ATOM 1437 CA TYR A 91 -8.948 0.941 -7.419 1.00 0.00 C ATOM 1438 C TYR A 91 -8.981 2.338 -6.806 1.00 0.00 C ATOM 1439 O TYR A 91 -9.792 3.181 -7.194 1.00 0.00 O ATOM 1440 CB TYR A 91 -9.554 -0.070 -6.445 1.00 0.00 C ATOM 1441 CG TYR A 91 -11.056 0.045 -6.308 1.00 0.00 C ATOM 1442 CD1 TYR A 91 -11.900 -0.394 -7.320 1.00 0.00 C ATOM 1443 CD2 TYR A 91 -11.629 0.594 -5.168 1.00 0.00 C ATOM 1444 CE1 TYR A 91 -13.273 -0.290 -7.200 1.00 0.00 C ATOM 1445 CE2 TYR A 91 -13.000 0.700 -5.038 1.00 0.00 C ATOM 1446 CZ TYR A 91 -13.818 0.257 -6.057 1.00 0.00 C ATOM 1447 OH TYR A 91 -15.185 0.362 -5.933 1.00 0.00 O ATOM 0 H TYR A 91 -7.218 -0.225 -7.224 1.00 0.00 H new ATOM 0 HA TYR A 91 -9.539 0.952 -8.335 1.00 0.00 H new ATOM 0 HB2 TYR A 91 -9.304 -1.077 -6.778 1.00 0.00 H new ATOM 0 HB3 TYR A 91 -9.097 0.064 -5.465 1.00 0.00 H new ATOM 0 HD1 TYR A 91 -11.476 -0.824 -8.216 1.00 0.00 H new ATOM 0 HD2 TYR A 91 -10.992 0.944 -4.370 1.00 0.00 H new ATOM 0 HE1 TYR A 91 -13.915 -0.635 -7.997 1.00 0.00 H new ATOM 0 HE2 TYR A 91 -13.429 1.127 -4.144 1.00 0.00 H new ATOM 0 HH TYR A 91 -15.405 0.768 -5.068 1.00 0.00 H new ATOM 1457 N TYR A 92 -8.094 2.577 -5.846 1.00 0.00 N ATOM 1458 CA TYR A 92 -8.021 3.870 -5.177 1.00 0.00 C ATOM 1459 C TYR A 92 -7.329 4.902 -6.060 1.00 0.00 C ATOM 1460 O TYR A 92 -7.500 6.107 -5.875 1.00 0.00 O ATOM 1461 CB TYR A 92 -7.276 3.737 -3.848 1.00 0.00 C ATOM 1462 CG TYR A 92 -7.939 2.790 -2.873 1.00 0.00 C ATOM 1463 CD1 TYR A 92 -9.321 2.751 -2.743 1.00 0.00 C ATOM 1464 CD2 TYR A 92 -7.182 1.935 -2.082 1.00 0.00 C ATOM 1465 CE1 TYR A 92 -9.931 1.889 -1.853 1.00 0.00 C ATOM 1466 CE2 TYR A 92 -7.784 1.068 -1.190 1.00 0.00 C ATOM 1467 CZ TYR A 92 -9.158 1.049 -1.079 1.00 0.00 C ATOM 1468 OH TYR A 92 -9.762 0.187 -0.192 1.00 0.00 O ATOM 0 H TYR A 92 -7.415 1.892 -5.514 1.00 0.00 H new ATOM 0 HA TYR A 92 -9.039 4.209 -4.984 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -6.261 3.392 -4.043 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -7.195 4.721 -3.387 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -9.930 3.406 -3.349 1.00 0.00 H new ATOM 0 HD2 TYR A 92 -6.105 1.948 -2.166 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -11.007 1.873 -1.764 1.00 0.00 H new ATOM 0 HE2 TYR A 92 -7.181 0.409 -0.583 1.00 0.00 H new ATOM 0 HH TYR A 92 -9.126 -0.511 0.071 1.00 0.00 H new ATOM 1478 N GLN A 93 -6.547 4.420 -7.021 1.00 0.00 N ATOM 1479 CA GLN A 93 -5.829 5.301 -7.935 1.00 0.00 C ATOM 1480 C GLN A 93 -6.792 6.239 -8.657 1.00 0.00 C ATOM 1481 O GLN A 93 -6.387 7.280 -9.175 1.00 0.00 O ATOM 1482 CB GLN A 93 -5.038 4.479 -8.953 1.00 0.00 C ATOM 1483 CG GLN A 93 -3.703 3.980 -8.427 1.00 0.00 C ATOM 1484 CD GLN A 93 -2.662 3.834 -9.520 1.00 0.00 C ATOM 1485 OE1 GLN A 93 -2.628 4.618 -10.470 1.00 0.00 O ATOM 1486 NE2 GLN A 93 -1.805 2.829 -9.392 1.00 0.00 N ATOM 0 H GLN A 93 -6.395 3.425 -7.187 1.00 0.00 H new ATOM 0 HA GLN A 93 -5.136 5.904 -7.349 1.00 0.00 H new ATOM 0 HB2 GLN A 93 -5.639 3.624 -9.263 1.00 0.00 H new ATOM 0 HB3 GLN A 93 -4.865 5.086 -9.842 1.00 0.00 H new ATOM 0 HG2 GLN A 93 -3.334 4.671 -7.669 1.00 0.00 H new ATOM 0 HG3 GLN A 93 -3.847 3.017 -7.937 1.00 0.00 H new ATOM 0 HE21 GLN A 93 -1.869 2.203 -8.589 1.00 0.00 H new ATOM 0 HE22 GLN A 93 -1.082 2.682 -10.097 1.00 0.00 H new ATOM 1495 N CYS A 94 -8.064 5.862 -8.687 1.00 0.00 N ATOM 1496 CA CYS A 94 -9.085 6.669 -9.348 1.00 0.00 C ATOM 1497 C CYS A 94 -10.242 6.964 -8.399 1.00 0.00 C ATOM 1498 O CYS A 94 -10.898 8.002 -8.507 1.00 0.00 O ATOM 1499 CB CYS A 94 -9.604 5.952 -10.596 1.00 0.00 C ATOM 1500 SG CYS A 94 -8.405 5.863 -11.947 1.00 0.00 S ATOM 0 H CYS A 94 -8.414 5.003 -8.262 1.00 0.00 H new ATOM 0 HA CYS A 94 -8.630 7.614 -9.644 1.00 0.00 H new ATOM 0 HB2 CYS A 94 -9.903 4.940 -10.323 1.00 0.00 H new ATOM 0 HB3 CYS A 94 -10.498 6.464 -10.951 1.00 0.00 H new ATOM 0 HG CYS A 94 -8.934 5.238 -12.956 1.00 0.00 H new ATOM 1506 N HIS A 95 -10.489 6.046 -7.471 1.00 0.00 N ATOM 1507 CA HIS A 95 -11.569 6.208 -6.503 1.00 0.00 C ATOM 1508 C HIS A 95 -11.025 6.670 -5.154 1.00 0.00 C ATOM 1509 O HIS A 95 -10.044 6.124 -4.649 1.00 0.00 O ATOM 1510 CB HIS A 95 -12.332 4.894 -6.335 1.00 0.00 C ATOM 1511 CG HIS A 95 -12.353 4.051 -7.572 1.00 0.00 C ATOM 1512 ND1 HIS A 95 -12.215 2.679 -7.551 1.00 0.00 N ATOM 1513 CD2 HIS A 95 -12.500 4.393 -8.874 1.00 0.00 C ATOM 1514 CE1 HIS A 95 -12.274 2.214 -8.786 1.00 0.00 C ATOM 1515 NE2 HIS A 95 -12.446 3.233 -9.608 1.00 0.00 N ATOM 0 H HIS A 95 -9.957 5.182 -7.368 1.00 0.00 H new ATOM 0 HA HIS A 95 -12.251 6.970 -6.880 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -11.881 4.323 -5.524 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -13.357 5.114 -6.038 1.00 0.00 H new ATOM 0 HD1 HIS A 95 -12.087 2.112 -6.713 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -12.635 5.392 -9.263 1.00 0.00 H new ATOM 0 HE1 HIS A 95 -12.195 1.176 -9.075 1.00 0.00 H new ATOM 1524 N SER A 96 -11.667 7.681 -4.578 1.00 0.00 N ATOM 1525 CA SER A 96 -11.245 8.219 -3.290 1.00 0.00 C ATOM 1526 C SER A 96 -11.264 7.136 -2.215 1.00 0.00 C ATOM 1527 O SER A 96 -12.020 6.168 -2.306 1.00 0.00 O ATOM 1528 CB SER A 96 -12.152 9.380 -2.877 1.00 0.00 C ATOM 1529 OG SER A 96 -11.829 9.842 -1.577 1.00 0.00 O ATOM 0 H SER A 96 -12.481 8.144 -4.982 1.00 0.00 H new ATOM 0 HA SER A 96 -10.223 8.584 -3.394 1.00 0.00 H new ATOM 0 HB2 SER A 96 -12.051 10.197 -3.592 1.00 0.00 H new ATOM 0 HB3 SER A 96 -13.193 9.059 -2.904 1.00 0.00 H new ATOM 0 HG SER A 96 -12.421 10.585 -1.337 1.00 0.00 H new ATOM 1535 N LEU A 97 -10.427 7.308 -1.197 1.00 0.00 N ATOM 1536 CA LEU A 97 -10.346 6.345 -0.103 1.00 0.00 C ATOM 1537 C LEU A 97 -11.411 6.629 0.951 1.00 0.00 C ATOM 1538 O LEU A 97 -11.409 6.033 2.027 1.00 0.00 O ATOM 1539 CB LEU A 97 -8.957 6.385 0.535 1.00 0.00 C ATOM 1540 CG LEU A 97 -7.868 5.580 -0.176 1.00 0.00 C ATOM 1541 CD1 LEU A 97 -6.506 6.223 0.036 1.00 0.00 C ATOM 1542 CD2 LEU A 97 -7.863 4.140 0.316 1.00 0.00 C ATOM 0 H LEU A 97 -9.796 8.104 -1.106 1.00 0.00 H new ATOM 0 HA LEU A 97 -10.522 5.350 -0.512 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.634 7.425 0.590 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -9.039 6.022 1.559 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.083 5.577 -1.245 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -5.743 5.637 -0.477 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -6.516 7.236 -0.365 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -6.282 6.257 1.102 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -7.082 3.582 -0.200 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -7.672 4.123 1.389 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -8.831 3.683 0.112 1.00 0.00 H new ATOM 1554 N LYS A 98 -12.323 7.542 0.633 1.00 0.00 N ATOM 1555 CA LYS A 98 -13.397 7.904 1.550 1.00 0.00 C ATOM 1556 C LYS A 98 -14.243 6.684 1.905 1.00 0.00 C ATOM 1557 O LYS A 98 -14.634 6.505 3.057 1.00 0.00 O ATOM 1558 CB LYS A 98 -14.281 8.987 0.930 1.00 0.00 C ATOM 1559 CG LYS A 98 -15.344 8.444 -0.008 1.00 0.00 C ATOM 1560 CD LYS A 98 -16.335 9.522 -0.415 1.00 0.00 C ATOM 1561 CE LYS A 98 -16.955 9.226 -1.772 1.00 0.00 C ATOM 1562 NZ LYS A 98 -18.182 8.390 -1.651 1.00 0.00 N ATOM 0 H LYS A 98 -12.339 8.045 -0.254 1.00 0.00 H new ATOM 0 HA LYS A 98 -12.946 8.291 2.464 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -14.766 9.549 1.728 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -13.651 9.689 0.384 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -14.868 8.032 -0.898 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -15.875 7.626 0.478 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -17.121 9.598 0.336 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -15.831 10.488 -0.447 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -17.202 10.163 -2.271 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -16.227 8.713 -2.400 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -18.686 8.379 -2.561 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -17.916 7.419 -1.390 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -18.802 8.788 -0.917 1.00 0.00 H new ATOM 1576 N GLU A 99 -14.517 5.849 0.907 1.00 0.00 N ATOM 1577 CA GLU A 99 -15.316 4.647 1.117 1.00 0.00 C ATOM 1578 C GLU A 99 -14.807 3.859 2.320 1.00 0.00 C ATOM 1579 O GLU A 99 -15.585 3.447 3.180 1.00 0.00 O ATOM 1580 CB GLU A 99 -15.288 3.765 -0.134 1.00 0.00 C ATOM 1581 CG GLU A 99 -15.766 4.475 -1.390 1.00 0.00 C ATOM 1582 CD GLU A 99 -17.278 4.531 -1.487 1.00 0.00 C ATOM 1583 OE1 GLU A 99 -17.883 5.403 -0.827 1.00 0.00 O ATOM 1584 OE2 GLU A 99 -17.857 3.705 -2.222 1.00 0.00 O ATOM 0 H GLU A 99 -14.198 5.982 -0.053 1.00 0.00 H new ATOM 0 HA GLU A 99 -16.343 4.954 1.314 1.00 0.00 H new ATOM 0 HB2 GLU A 99 -14.271 3.408 -0.294 1.00 0.00 H new ATOM 0 HB3 GLU A 99 -15.911 2.887 0.037 1.00 0.00 H new ATOM 0 HG2 GLU A 99 -15.367 5.489 -1.404 1.00 0.00 H new ATOM 0 HG3 GLU A 99 -15.368 3.963 -2.266 1.00 0.00 H new ATOM 1591 N SER A 100 -13.494 3.651 2.372 1.00 0.00 N ATOM 1592 CA SER A 100 -12.881 2.908 3.467 1.00 0.00 C ATOM 1593 C SER A 100 -12.910 3.720 4.758 1.00 0.00 C ATOM 1594 O SER A 100 -13.253 3.204 5.821 1.00 0.00 O ATOM 1595 CB SER A 100 -11.439 2.538 3.115 1.00 0.00 C ATOM 1596 OG SER A 100 -11.393 1.661 2.003 1.00 0.00 O ATOM 0 H SER A 100 -12.835 3.986 1.669 1.00 0.00 H new ATOM 0 HA SER A 100 -13.456 1.995 3.621 1.00 0.00 H new ATOM 0 HB2 SER A 100 -10.873 3.442 2.892 1.00 0.00 H new ATOM 0 HB3 SER A 100 -10.962 2.066 3.974 1.00 0.00 H new ATOM 0 HG SER A 100 -10.755 2.003 1.343 1.00 0.00 H new ATOM 1602 N PHE A 101 -12.547 4.995 4.656 1.00 0.00 N ATOM 1603 CA PHE A 101 -12.529 5.880 5.814 1.00 0.00 C ATOM 1604 C PHE A 101 -13.155 7.230 5.477 1.00 0.00 C ATOM 1605 O PHE A 101 -12.660 7.959 4.617 1.00 0.00 O ATOM 1606 CB PHE A 101 -11.095 6.079 6.310 1.00 0.00 C ATOM 1607 CG PHE A 101 -10.395 4.794 6.651 1.00 0.00 C ATOM 1608 CD1 PHE A 101 -9.789 4.036 5.660 1.00 0.00 C ATOM 1609 CD2 PHE A 101 -10.343 4.344 7.959 1.00 0.00 C ATOM 1610 CE1 PHE A 101 -9.144 2.854 5.970 1.00 0.00 C ATOM 1611 CE2 PHE A 101 -9.699 3.163 8.275 1.00 0.00 C ATOM 1612 CZ PHE A 101 -9.100 2.416 7.279 1.00 0.00 C ATOM 0 H PHE A 101 -12.261 5.438 3.783 1.00 0.00 H new ATOM 0 HA PHE A 101 -13.117 5.414 6.604 1.00 0.00 H new ATOM 0 HB2 PHE A 101 -10.523 6.603 5.544 1.00 0.00 H new ATOM 0 HB3 PHE A 101 -11.109 6.721 7.191 1.00 0.00 H new ATOM 0 HD1 PHE A 101 -9.822 4.373 4.635 1.00 0.00 H new ATOM 0 HD2 PHE A 101 -10.811 4.923 8.742 1.00 0.00 H new ATOM 0 HE1 PHE A 101 -8.675 2.273 5.190 1.00 0.00 H new ATOM 0 HE2 PHE A 101 -9.664 2.824 9.300 1.00 0.00 H new ATOM 0 HZ PHE A 101 -8.598 1.491 7.524 1.00 0.00 H new ATOM 1622 N LYS A 102 -14.246 7.557 6.161 1.00 0.00 N ATOM 1623 CA LYS A 102 -14.941 8.819 5.935 1.00 0.00 C ATOM 1624 C LYS A 102 -14.036 10.004 6.259 1.00 0.00 C ATOM 1625 O LYS A 102 -14.360 11.148 5.945 1.00 0.00 O ATOM 1626 CB LYS A 102 -16.210 8.886 6.788 1.00 0.00 C ATOM 1627 CG LYS A 102 -15.939 9.115 8.266 1.00 0.00 C ATOM 1628 CD LYS A 102 -15.564 7.821 8.969 1.00 0.00 C ATOM 1629 CE LYS A 102 -15.637 7.968 10.481 1.00 0.00 C ATOM 1630 NZ LYS A 102 -16.935 8.554 10.919 1.00 0.00 N ATOM 0 H LYS A 102 -14.668 6.965 6.877 1.00 0.00 H new ATOM 0 HA LYS A 102 -15.215 8.870 4.881 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -16.846 9.689 6.415 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -16.767 7.957 6.669 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -15.133 9.840 8.381 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -16.823 9.544 8.737 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -16.233 7.023 8.647 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -14.555 7.527 8.679 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -15.503 6.992 10.948 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -14.818 8.601 10.824 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -17.193 8.169 11.850 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -16.845 9.588 10.985 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -17.675 8.314 10.228 1.00 0.00 H new ATOM 1644 N GLN A 103 -12.899 9.720 6.889 1.00 0.00 N ATOM 1645 CA GLN A 103 -11.948 10.762 7.253 1.00 0.00 C ATOM 1646 C GLN A 103 -10.819 10.851 6.232 1.00 0.00 C ATOM 1647 O GLN A 103 -10.019 11.787 6.255 1.00 0.00 O ATOM 1648 CB GLN A 103 -11.372 10.493 8.645 1.00 0.00 C ATOM 1649 CG GLN A 103 -12.187 11.110 9.770 1.00 0.00 C ATOM 1650 CD GLN A 103 -11.903 12.589 9.953 1.00 0.00 C ATOM 1651 OE1 GLN A 103 -10.824 13.072 9.608 1.00 0.00 O ATOM 1652 NE2 GLN A 103 -12.872 13.315 10.496 1.00 0.00 N ATOM 0 H GLN A 103 -12.616 8.778 7.157 1.00 0.00 H new ATOM 0 HA GLN A 103 -12.479 11.714 7.264 1.00 0.00 H new ATOM 0 HB2 GLN A 103 -11.309 9.416 8.801 1.00 0.00 H new ATOM 0 HB3 GLN A 103 -10.354 10.881 8.689 1.00 0.00 H new ATOM 0 HG2 GLN A 103 -13.248 10.970 9.564 1.00 0.00 H new ATOM 0 HG3 GLN A 103 -11.971 10.585 10.700 1.00 0.00 H new ATOM 0 HE21 GLN A 103 -13.750 12.872 10.767 1.00 0.00 H new ATOM 0 HE22 GLN A 103 -12.739 14.316 10.643 1.00 0.00 H new ATOM 1661 N LEU A 104 -10.759 9.871 5.337 1.00 0.00 N ATOM 1662 CA LEU A 104 -9.727 9.838 4.307 1.00 0.00 C ATOM 1663 C LEU A 104 -10.340 9.995 2.918 1.00 0.00 C ATOM 1664 O LEU A 104 -10.874 9.041 2.353 1.00 0.00 O ATOM 1665 CB LEU A 104 -8.942 8.527 4.385 1.00 0.00 C ATOM 1666 CG LEU A 104 -7.492 8.583 3.905 1.00 0.00 C ATOM 1667 CD1 LEU A 104 -6.598 9.185 4.977 1.00 0.00 C ATOM 1668 CD2 LEU A 104 -7.004 7.196 3.518 1.00 0.00 C ATOM 0 H LEU A 104 -11.413 9.089 5.304 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.047 10.672 4.481 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -8.948 8.184 5.420 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -9.469 7.776 3.797 1.00 0.00 H new ATOM 0 HG LEU A 104 -7.446 9.221 3.022 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -5.570 9.217 4.617 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.934 10.196 5.205 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.649 8.574 5.878 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -5.970 7.256 3.179 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -7.065 6.535 4.382 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -7.627 6.802 2.715 1.00 0.00 H new ATOM 1680 N ASP A 105 -10.255 11.203 2.373 1.00 0.00 N ATOM 1681 CA ASP A 105 -10.797 11.486 1.050 1.00 0.00 C ATOM 1682 C ASP A 105 -9.695 11.937 0.096 1.00 0.00 C ATOM 1683 O ASP A 105 -9.376 13.123 0.014 1.00 0.00 O ATOM 1684 CB ASP A 105 -11.883 12.559 1.138 1.00 0.00 C ATOM 1685 CG ASP A 105 -13.026 12.153 2.049 1.00 0.00 C ATOM 1686 OD1 ASP A 105 -12.818 12.115 3.280 1.00 0.00 O ATOM 1687 OD2 ASP A 105 -14.127 11.876 1.530 1.00 0.00 O ATOM 0 H ASP A 105 -9.815 12.003 2.828 1.00 0.00 H new ATOM 0 HA ASP A 105 -11.236 10.567 0.661 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -11.444 13.487 1.503 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.272 12.761 0.140 1.00 0.00 H new ATOM 1692 N THR A 106 -9.115 10.981 -0.625 1.00 0.00 N ATOM 1693 CA THR A 106 -8.048 11.279 -1.571 1.00 0.00 C ATOM 1694 C THR A 106 -7.843 10.127 -2.548 1.00 0.00 C ATOM 1695 O THR A 106 -8.351 9.024 -2.341 1.00 0.00 O ATOM 1696 CB THR A 106 -6.720 11.566 -0.847 1.00 0.00 C ATOM 1697 OG1 THR A 106 -5.810 12.225 -1.736 1.00 0.00 O ATOM 1698 CG2 THR A 106 -6.093 10.279 -0.334 1.00 0.00 C ATOM 0 H THR A 106 -9.367 9.994 -0.571 1.00 0.00 H new ATOM 0 HA THR A 106 -8.352 12.169 -2.122 1.00 0.00 H new ATOM 0 HB THR A 106 -6.929 12.213 0.005 1.00 0.00 H new ATOM 0 HG1 THR A 106 -4.968 12.406 -1.268 1.00 0.00 H new ATOM 0 HG21 THR A 106 -5.156 10.508 0.174 1.00 0.00 H new ATOM 0 HG22 THR A 106 -6.775 9.795 0.365 1.00 0.00 H new ATOM 0 HG23 THR A 106 -5.898 9.610 -1.172 1.00 0.00 H new ATOM 1706 N THR A 107 -7.093 10.389 -3.615 1.00 0.00 N ATOM 1707 CA THR A 107 -6.820 9.374 -4.625 1.00 0.00 C ATOM 1708 C THR A 107 -5.365 9.422 -5.073 1.00 0.00 C ATOM 1709 O THR A 107 -4.839 10.487 -5.400 1.00 0.00 O ATOM 1710 CB THR A 107 -7.731 9.547 -5.855 1.00 0.00 C ATOM 1711 OG1 THR A 107 -7.608 10.876 -6.373 1.00 0.00 O ATOM 1712 CG2 THR A 107 -9.183 9.269 -5.497 1.00 0.00 C ATOM 0 H THR A 107 -6.664 11.296 -3.801 1.00 0.00 H new ATOM 0 HA THR A 107 -7.023 8.407 -4.165 1.00 0.00 H new ATOM 0 HB THR A 107 -7.418 8.831 -6.615 1.00 0.00 H new ATOM 0 HG1 THR A 107 -8.189 10.977 -7.156 1.00 0.00 H new ATOM 0 HG21 THR A 107 -9.807 9.398 -6.382 1.00 0.00 H new ATOM 0 HG22 THR A 107 -9.278 8.247 -5.131 1.00 0.00 H new ATOM 0 HG23 THR A 107 -9.506 9.963 -4.721 1.00 0.00 H new ATOM 1720 N LEU A 108 -4.716 8.262 -5.089 1.00 0.00 N ATOM 1721 CA LEU A 108 -3.319 8.172 -5.499 1.00 0.00 C ATOM 1722 C LEU A 108 -3.051 9.051 -6.715 1.00 0.00 C ATOM 1723 O LEU A 108 -3.436 8.715 -7.836 1.00 0.00 O ATOM 1724 CB LEU A 108 -2.953 6.721 -5.813 1.00 0.00 C ATOM 1725 CG LEU A 108 -3.512 5.665 -4.859 1.00 0.00 C ATOM 1726 CD1 LEU A 108 -3.001 4.282 -5.232 1.00 0.00 C ATOM 1727 CD2 LEU A 108 -3.148 6.000 -3.420 1.00 0.00 C ATOM 0 H LEU A 108 -5.135 7.371 -4.823 1.00 0.00 H new ATOM 0 HA LEU A 108 -2.700 8.526 -4.675 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -3.299 6.490 -6.821 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -1.866 6.635 -5.821 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.598 5.663 -4.947 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.410 3.545 -4.541 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -3.314 4.040 -6.248 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -1.913 4.269 -5.174 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -3.554 5.238 -2.755 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.063 6.031 -3.317 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -3.565 6.972 -3.156 1.00 0.00 H new ATOM 1739 N LYS A 109 -2.385 10.179 -6.490 1.00 0.00 N ATOM 1740 CA LYS A 109 -2.061 11.105 -7.567 1.00 0.00 C ATOM 1741 C LYS A 109 -0.655 10.850 -8.101 1.00 0.00 C ATOM 1742 O LYS A 109 -0.483 10.432 -9.246 1.00 0.00 O ATOM 1743 CB LYS A 109 -2.176 12.551 -7.076 1.00 0.00 C ATOM 1744 CG LYS A 109 -3.559 13.150 -7.266 1.00 0.00 C ATOM 1745 CD LYS A 109 -3.867 14.190 -6.201 1.00 0.00 C ATOM 1746 CE LYS A 109 -5.362 14.437 -6.081 1.00 0.00 C ATOM 1747 NZ LYS A 109 -6.066 13.285 -5.452 1.00 0.00 N ATOM 0 H LYS A 109 -2.059 10.473 -5.569 1.00 0.00 H new ATOM 0 HA LYS A 109 -2.773 10.944 -8.377 1.00 0.00 H new ATOM 0 HB2 LYS A 109 -1.915 12.588 -6.018 1.00 0.00 H new ATOM 0 HB3 LYS A 109 -1.448 13.165 -7.606 1.00 0.00 H new ATOM 0 HG2 LYS A 109 -3.626 13.608 -8.253 1.00 0.00 H new ATOM 0 HG3 LYS A 109 -4.308 12.358 -7.230 1.00 0.00 H new ATOM 0 HD2 LYS A 109 -3.474 13.857 -5.241 1.00 0.00 H new ATOM 0 HD3 LYS A 109 -3.361 15.124 -6.446 1.00 0.00 H new ATOM 0 HE2 LYS A 109 -5.535 15.336 -5.489 1.00 0.00 H new ATOM 0 HE3 LYS A 109 -5.780 14.622 -7.071 1.00 0.00 H new ATOM 0 HZ1 LYS A 109 -6.702 12.845 -6.147 1.00 0.00 H new ATOM 0 HZ2 LYS A 109 -5.367 12.585 -5.130 1.00 0.00 H new ATOM 0 HZ3 LYS A 109 -6.621 13.619 -4.638 1.00 0.00 H new ATOM 1761 N TYR A 110 0.345 11.100 -7.264 1.00 0.00 N ATOM 1762 CA TYR A 110 1.736 10.897 -7.653 1.00 0.00 C ATOM 1763 C TYR A 110 2.419 9.895 -6.728 1.00 0.00 C ATOM 1764 O TYR A 110 2.066 9.749 -5.557 1.00 0.00 O ATOM 1765 CB TYR A 110 2.493 12.226 -7.631 1.00 0.00 C ATOM 1766 CG TYR A 110 1.687 13.391 -8.162 1.00 0.00 C ATOM 1767 CD1 TYR A 110 1.699 13.710 -9.514 1.00 0.00 C ATOM 1768 CD2 TYR A 110 0.912 14.170 -7.312 1.00 0.00 C ATOM 1769 CE1 TYR A 110 0.966 14.774 -10.003 1.00 0.00 C ATOM 1770 CE2 TYR A 110 0.174 15.233 -7.792 1.00 0.00 C ATOM 1771 CZ TYR A 110 0.205 15.532 -9.139 1.00 0.00 C ATOM 1772 OH TYR A 110 -0.529 16.591 -9.622 1.00 0.00 O ATOM 0 H TYR A 110 0.219 11.443 -6.312 1.00 0.00 H new ATOM 0 HA TYR A 110 1.749 10.496 -8.667 1.00 0.00 H new ATOM 0 HB2 TYR A 110 2.799 12.443 -6.608 1.00 0.00 H new ATOM 0 HB3 TYR A 110 3.404 12.126 -8.222 1.00 0.00 H new ATOM 0 HD1 TYR A 110 2.291 13.116 -10.194 1.00 0.00 H new ATOM 0 HD2 TYR A 110 0.887 13.940 -6.257 1.00 0.00 H new ATOM 0 HE1 TYR A 110 0.989 15.011 -11.057 1.00 0.00 H new ATOM 0 HE2 TYR A 110 -0.424 15.827 -7.117 1.00 0.00 H new ATOM 0 HH TYR A 110 -1.010 17.020 -8.883 1.00 0.00 H new ATOM 1782 N PRO A 111 3.424 9.186 -7.265 1.00 0.00 N ATOM 1783 CA PRO A 111 4.180 8.185 -6.505 1.00 0.00 C ATOM 1784 C PRO A 111 5.066 8.815 -5.437 1.00 0.00 C ATOM 1785 O PRO A 111 4.945 10.004 -5.139 1.00 0.00 O ATOM 1786 CB PRO A 111 5.036 7.500 -7.575 1.00 0.00 C ATOM 1787 CG PRO A 111 5.179 8.519 -8.653 1.00 0.00 C ATOM 1788 CD PRO A 111 3.898 9.306 -8.653 1.00 0.00 C ATOM 0 HA PRO A 111 3.524 7.504 -5.963 1.00 0.00 H new ATOM 0 HB2 PRO A 111 6.007 7.206 -7.177 1.00 0.00 H new ATOM 0 HB3 PRO A 111 4.556 6.595 -7.947 1.00 0.00 H new ATOM 0 HG2 PRO A 111 6.035 9.167 -8.466 1.00 0.00 H new ATOM 0 HG3 PRO A 111 5.345 8.043 -9.620 1.00 0.00 H new ATOM 0 HD2 PRO A 111 4.066 10.346 -8.932 1.00 0.00 H new ATOM 0 HD3 PRO A 111 3.176 8.899 -9.361 1.00 0.00 H new ATOM 1796 N TYR A 112 5.956 8.012 -4.864 1.00 0.00 N ATOM 1797 CA TYR A 112 6.861 8.492 -3.827 1.00 0.00 C ATOM 1798 C TYR A 112 8.240 8.798 -4.405 1.00 0.00 C ATOM 1799 O TYR A 112 8.446 8.731 -5.617 1.00 0.00 O ATOM 1800 CB TYR A 112 6.983 7.457 -2.708 1.00 0.00 C ATOM 1801 CG TYR A 112 8.139 6.500 -2.893 1.00 0.00 C ATOM 1802 CD1 TYR A 112 8.095 5.505 -3.862 1.00 0.00 C ATOM 1803 CD2 TYR A 112 9.275 6.589 -2.098 1.00 0.00 C ATOM 1804 CE1 TYR A 112 9.148 4.627 -4.034 1.00 0.00 C ATOM 1805 CE2 TYR A 112 10.333 5.717 -2.263 1.00 0.00 C ATOM 1806 CZ TYR A 112 10.265 4.738 -3.233 1.00 0.00 C ATOM 1807 OH TYR A 112 11.317 3.866 -3.400 1.00 0.00 O ATOM 0 H TYR A 112 6.070 7.026 -5.100 1.00 0.00 H new ATOM 0 HA TYR A 112 6.447 9.413 -3.417 1.00 0.00 H new ATOM 0 HB2 TYR A 112 7.100 7.975 -1.756 1.00 0.00 H new ATOM 0 HB3 TYR A 112 6.056 6.887 -2.649 1.00 0.00 H new ATOM 0 HD1 TYR A 112 7.222 5.416 -4.492 1.00 0.00 H new ATOM 0 HD2 TYR A 112 9.332 7.354 -1.337 1.00 0.00 H new ATOM 0 HE1 TYR A 112 9.097 3.859 -4.791 1.00 0.00 H new ATOM 0 HE2 TYR A 112 11.209 5.801 -1.636 1.00 0.00 H new ATOM 0 HH TYR A 112 10.971 2.961 -3.549 1.00 0.00 H new ATOM 1817 N SER A 113 9.182 9.132 -3.529 1.00 0.00 N ATOM 1818 CA SER A 113 10.541 9.450 -3.951 1.00 0.00 C ATOM 1819 C SER A 113 11.219 8.230 -4.564 1.00 0.00 C ATOM 1820 O SER A 113 10.589 7.193 -4.770 1.00 0.00 O ATOM 1821 CB SER A 113 11.359 9.962 -2.764 1.00 0.00 C ATOM 1822 OG SER A 113 12.469 10.726 -3.202 1.00 0.00 O ATOM 0 H SER A 113 9.029 9.189 -2.522 1.00 0.00 H new ATOM 0 HA SER A 113 10.487 10.231 -4.709 1.00 0.00 H new ATOM 0 HB2 SER A 113 10.727 10.571 -2.118 1.00 0.00 H new ATOM 0 HB3 SER A 113 11.707 9.119 -2.167 1.00 0.00 H new ATOM 0 HG SER A 113 12.975 11.043 -2.425 1.00 0.00 H new ATOM 1828 N GLY A 114 12.510 8.361 -4.853 1.00 0.00 N ATOM 1829 CA GLY A 114 13.255 7.261 -5.439 1.00 0.00 C ATOM 1830 C GLY A 114 14.735 7.328 -5.120 1.00 0.00 C ATOM 1831 O GLY A 114 15.222 8.293 -4.531 1.00 0.00 O ATOM 0 H GLY A 114 13.054 9.209 -4.692 1.00 0.00 H new ATOM 0 HA2 GLY A 114 12.850 6.317 -5.074 1.00 0.00 H new ATOM 0 HA3 GLY A 114 13.119 7.269 -6.520 1.00 0.00 H new ATOM 1835 N PRO A 115 15.477 6.282 -5.513 1.00 0.00 N ATOM 1836 CA PRO A 115 16.921 6.202 -5.275 1.00 0.00 C ATOM 1837 C PRO A 115 17.704 7.199 -6.120 1.00 0.00 C ATOM 1838 O PRO A 115 17.993 6.946 -7.289 1.00 0.00 O ATOM 1839 CB PRO A 115 17.268 4.767 -5.682 1.00 0.00 C ATOM 1840 CG PRO A 115 16.212 4.384 -6.661 1.00 0.00 C ATOM 1841 CD PRO A 115 14.963 5.097 -6.221 1.00 0.00 C ATOM 0 HA PRO A 115 17.178 6.441 -4.243 1.00 0.00 H new ATOM 0 HB2 PRO A 115 18.261 4.711 -6.129 1.00 0.00 H new ATOM 0 HB3 PRO A 115 17.269 4.100 -4.820 1.00 0.00 H new ATOM 0 HG2 PRO A 115 16.493 4.677 -7.673 1.00 0.00 H new ATOM 0 HG3 PRO A 115 16.062 3.304 -6.671 1.00 0.00 H new ATOM 0 HD2 PRO A 115 14.339 5.376 -7.070 1.00 0.00 H new ATOM 0 HD3 PRO A 115 14.353 4.473 -5.569 1.00 0.00 H new ATOM 1849 N SER A 116 18.047 8.336 -5.521 1.00 0.00 N ATOM 1850 CA SER A 116 18.795 9.374 -6.221 1.00 0.00 C ATOM 1851 C SER A 116 19.553 10.256 -5.234 1.00 0.00 C ATOM 1852 O SER A 116 18.954 10.907 -4.379 1.00 0.00 O ATOM 1853 CB SER A 116 17.849 10.231 -7.066 1.00 0.00 C ATOM 1854 OG SER A 116 17.371 9.508 -8.187 1.00 0.00 O ATOM 0 H SER A 116 17.819 8.561 -4.553 1.00 0.00 H new ATOM 0 HA SER A 116 19.518 8.888 -6.877 1.00 0.00 H new ATOM 0 HB2 SER A 116 17.008 10.560 -6.456 1.00 0.00 H new ATOM 0 HB3 SER A 116 18.369 11.128 -7.402 1.00 0.00 H new ATOM 0 HG SER A 116 17.641 8.569 -8.110 1.00 0.00 H new ATOM 1860 N SER A 117 20.876 10.270 -5.360 1.00 0.00 N ATOM 1861 CA SER A 117 21.719 11.068 -4.477 1.00 0.00 C ATOM 1862 C SER A 117 22.088 12.396 -5.132 1.00 0.00 C ATOM 1863 O SER A 117 22.861 12.435 -6.089 1.00 0.00 O ATOM 1864 CB SER A 117 22.989 10.296 -4.113 1.00 0.00 C ATOM 1865 OG SER A 117 22.675 9.072 -3.471 1.00 0.00 O ATOM 0 H SER A 117 21.387 9.738 -6.064 1.00 0.00 H new ATOM 0 HA SER A 117 21.155 11.275 -3.567 1.00 0.00 H new ATOM 0 HB2 SER A 117 23.570 10.099 -5.014 1.00 0.00 H new ATOM 0 HB3 SER A 117 23.613 10.904 -3.458 1.00 0.00 H new ATOM 0 HG SER A 117 23.503 8.597 -3.250 1.00 0.00 H new ATOM 1871 N GLY A 118 21.529 13.483 -4.610 1.00 0.00 N ATOM 1872 CA GLY A 118 21.810 14.798 -5.156 1.00 0.00 C ATOM 1873 C GLY A 118 23.269 14.969 -5.530 1.00 0.00 C ATOM 1874 O GLY A 118 23.623 14.919 -6.708 1.00 0.00 O ATOM 0 H GLY A 118 20.886 13.477 -3.818 1.00 0.00 H new ATOM 0 HA2 GLY A 118 21.190 14.962 -6.037 1.00 0.00 H new ATOM 0 HA3 GLY A 118 21.533 15.558 -4.426 1.00 0.00 H new TER 1878 GLY A 118