USER MOD reduce.3.24.130724 H: found=0, std=0, add=843, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 844 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 84 THR OG1 : rot -5:sc= 0.139 USER MOD Set 1.2: A 85 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 59 SER OG : rot 180:sc= 0 USER MOD Set 2.2: A 60 ASN : amide:sc= 0.231 X(o=0.23,f=0) USER MOD Single : A 4 TYR OH : rot -137:sc= 0.581 USER MOD Single : A 9 SER OG : rot -140:sc=-0.00797 USER MOD Single : A 10 ASN : amide:sc= -0.0171 X(o=-0.017,f=0) USER MOD Single : A 12 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 LYS NZ :NH3+ 132:sc= 0.504 (180deg=-0.0208) USER MOD Single : A 20 LYS NZ :NH3+ -107:sc= 0.866 (180deg=-0.284) USER MOD Single : A 21 MET CE :methyl -163:sc= -0.16 (180deg=-0.541) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 ASN : amide:sc= -0.361 X(o=-0.36,f=-0.066) USER MOD Single : A 31 THR OG1 : rot 41:sc= 0.0712 USER MOD Single : A 33 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 THR OG1 : rot -57:sc= 0.0119 USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ -175:sc= 0.152 (180deg=0.104) USER MOD Single : A 41 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -175:sc= 0 (180deg=-0.0406) USER MOD Single : A 49 SER OG : rot -89:sc= 0.501 USER MOD Single : A 50 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 ASN :FLIP amide:sc=-0.00195 F(o=-1.4,f=-0.002) USER MOD Single : A 53 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -161:sc= 0.204 (180deg=-0.308) USER MOD Single : A 68 LYS NZ :NH3+ 163:sc= -3.44! (180deg=-3.91!) USER MOD Single : A 72 GLN : amide:sc= -0.129 X(o=-0.13,f=0) USER MOD Single : A 73 LYS NZ :NH3+ -176:sc= 0.291 (180deg=0.277) USER MOD Single : A 74 MET CE :methyl -172:sc= -0.434 (180deg=-0.461) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 1.31 (180deg=1.21) USER MOD Single : A 94 LYS NZ :NH3+ -142:sc= 0.904 (180deg=-0.0644) USER MOD Single : A 97 SER OG : rot 68:sc= 0.187 USER MOD ----------------------------------------------------------------- ATOM 20 N LEU A 2 -10.199 -1.218 9.744 1.00 34.30 N ATOM 21 CA LEU A 2 -9.545 -2.204 8.873 1.00 34.22 C ATOM 22 C LEU A 2 -8.303 -1.562 8.216 1.00 1.20 C ATOM 23 O LEU A 2 -8.433 -0.624 7.431 1.00 33.40 O ATOM 24 CB LEU A 2 -10.546 -2.705 7.788 1.00 61.22 C ATOM 25 CG LEU A 2 -11.874 -3.337 8.308 1.00 64.11 C ATOM 26 CD1 LEU A 2 -12.790 -3.753 7.139 1.00 24.22 C ATOM 27 CD2 LEU A 2 -11.603 -4.521 9.255 1.00 41.35 C ATOM 0 HA LEU A 2 -9.227 -3.062 9.465 1.00 34.22 H new ATOM 0 HB2 LEU A 2 -10.798 -1.864 7.142 1.00 61.22 H new ATOM 0 HB3 LEU A 2 -10.037 -3.443 7.168 1.00 61.22 H new ATOM 0 HG LEU A 2 -12.397 -2.573 8.883 1.00 64.11 H new ATOM 0 HD11 LEU A 2 -13.707 -4.190 7.533 1.00 24.22 H new ATOM 0 HD12 LEU A 2 -13.034 -2.877 6.539 1.00 24.22 H new ATOM 0 HD13 LEU A 2 -12.276 -4.487 6.518 1.00 24.22 H new ATOM 0 HD21 LEU A 2 -12.550 -4.937 9.598 1.00 41.35 H new ATOM 0 HD22 LEU A 2 -11.040 -5.289 8.725 1.00 41.35 H new ATOM 0 HD23 LEU A 2 -11.026 -4.176 10.113 1.00 41.35 H new ATOM 39 N LEU A 3 -7.105 -2.049 8.570 1.00 44.10 N ATOM 40 CA LEU A 3 -5.831 -1.486 8.093 1.00 14.05 C ATOM 41 C LEU A 3 -5.193 -2.442 7.072 1.00 54.11 C ATOM 42 O LEU A 3 -4.794 -3.564 7.420 1.00 32.15 O ATOM 43 CB LEU A 3 -4.888 -1.230 9.304 1.00 45.43 C ATOM 44 CG LEU A 3 -5.394 -0.184 10.345 1.00 4.43 C ATOM 45 CD1 LEU A 3 -4.454 -0.079 11.562 1.00 55.11 C ATOM 46 CD2 LEU A 3 -5.596 1.192 9.684 1.00 21.54 C ATOM 0 H LEU A 3 -6.991 -2.846 9.196 1.00 44.10 H new ATOM 0 HA LEU A 3 -6.008 -0.532 7.595 1.00 14.05 H new ATOM 0 HB2 LEU A 3 -4.722 -2.177 9.818 1.00 45.43 H new ATOM 0 HB3 LEU A 3 -3.921 -0.900 8.925 1.00 45.43 H new ATOM 0 HG LEU A 3 -6.358 -0.534 10.714 1.00 4.43 H new ATOM 0 HD11 LEU A 3 -4.845 0.661 12.261 1.00 55.11 H new ATOM 0 HD12 LEU A 3 -4.390 -1.048 12.057 1.00 55.11 H new ATOM 0 HD13 LEU A 3 -3.461 0.225 11.230 1.00 55.11 H new ATOM 0 HD21 LEU A 3 -5.949 1.905 10.429 1.00 21.54 H new ATOM 0 HD22 LEU A 3 -4.650 1.539 9.269 1.00 21.54 H new ATOM 0 HD23 LEU A 3 -6.333 1.107 8.885 1.00 21.54 H new ATOM 58 N TYR A 4 -5.123 -2.000 5.807 1.00 14.54 N ATOM 59 CA TYR A 4 -4.551 -2.777 4.698 1.00 1.23 C ATOM 60 C TYR A 4 -3.422 -1.991 4.041 1.00 21.01 C ATOM 61 O TYR A 4 -3.440 -0.767 4.013 1.00 23.31 O ATOM 62 CB TYR A 4 -5.645 -3.141 3.662 1.00 63.43 C ATOM 63 CG TYR A 4 -6.697 -4.109 4.215 1.00 0.42 C ATOM 64 CD1 TYR A 4 -6.401 -5.463 4.372 1.00 2.00 C ATOM 65 CD2 TYR A 4 -7.968 -3.679 4.597 1.00 51.32 C ATOM 66 CE1 TYR A 4 -7.324 -6.343 4.898 1.00 52.01 C ATOM 67 CE2 TYR A 4 -8.897 -4.560 5.118 1.00 35.42 C ATOM 68 CZ TYR A 4 -8.569 -5.889 5.264 1.00 73.44 C ATOM 69 OH TYR A 4 -9.482 -6.768 5.796 1.00 63.24 O ATOM 0 H TYR A 4 -5.466 -1.082 5.523 1.00 14.54 H new ATOM 0 HA TYR A 4 -4.144 -3.707 5.094 1.00 1.23 H new ATOM 0 HB2 TYR A 4 -6.139 -2.229 3.328 1.00 63.43 H new ATOM 0 HB3 TYR A 4 -5.174 -3.587 2.786 1.00 63.43 H new ATOM 0 HD1 TYR A 4 -5.429 -5.830 4.076 1.00 2.00 H new ATOM 0 HD2 TYR A 4 -8.231 -2.638 4.483 1.00 51.32 H new ATOM 0 HE1 TYR A 4 -7.069 -7.385 5.022 1.00 52.01 H new ATOM 0 HE2 TYR A 4 -9.875 -4.207 5.409 1.00 35.42 H new ATOM 0 HH TYR A 4 -10.365 -6.597 5.407 1.00 63.24 H new ATOM 79 N VAL A 5 -2.432 -2.727 3.545 1.00 71.02 N ATOM 80 CA VAL A 5 -1.229 -2.194 2.904 1.00 33.04 C ATOM 81 C VAL A 5 -1.121 -2.784 1.479 1.00 41.50 C ATOM 82 O VAL A 5 -1.115 -3.999 1.323 1.00 14.54 O ATOM 83 CB VAL A 5 0.045 -2.571 3.771 1.00 23.14 C ATOM 84 CG1 VAL A 5 1.348 -2.092 3.111 1.00 73.11 C ATOM 85 CG2 VAL A 5 -0.068 -2.026 5.221 1.00 54.23 C ATOM 0 H VAL A 5 -2.443 -3.746 3.578 1.00 71.02 H new ATOM 0 HA VAL A 5 -1.285 -1.108 2.835 1.00 33.04 H new ATOM 0 HB VAL A 5 0.079 -3.659 3.822 1.00 23.14 H new ATOM 0 HG11 VAL A 5 2.196 -2.370 3.737 1.00 73.11 H new ATOM 0 HG12 VAL A 5 1.452 -2.558 2.131 1.00 73.11 H new ATOM 0 HG13 VAL A 5 1.321 -1.008 2.997 1.00 73.11 H new ATOM 0 HG21 VAL A 5 0.823 -2.304 5.785 1.00 54.23 H new ATOM 0 HG22 VAL A 5 -0.157 -0.940 5.196 1.00 54.23 H new ATOM 0 HG23 VAL A 5 -0.949 -2.451 5.702 1.00 54.23 H new ATOM 95 N LEU A 6 -1.093 -1.919 0.444 1.00 12.42 N ATOM 96 CA LEU A 6 -0.913 -2.336 -0.967 1.00 30.14 C ATOM 97 C LEU A 6 0.444 -1.824 -1.472 1.00 20.20 C ATOM 98 O LEU A 6 0.622 -0.627 -1.647 1.00 33.52 O ATOM 99 CB LEU A 6 -2.065 -1.771 -1.856 1.00 52.00 C ATOM 100 CG LEU A 6 -3.514 -2.209 -1.479 1.00 60.24 C ATOM 101 CD1 LEU A 6 -4.557 -1.654 -2.475 1.00 31.32 C ATOM 102 CD2 LEU A 6 -3.625 -3.732 -1.358 1.00 12.11 C ATOM 0 H LEU A 6 -1.194 -0.911 0.560 1.00 12.42 H new ATOM 0 HA LEU A 6 -0.940 -3.424 -1.027 1.00 30.14 H new ATOM 0 HB2 LEU A 6 -2.018 -0.682 -1.824 1.00 52.00 H new ATOM 0 HB3 LEU A 6 -1.877 -2.068 -2.888 1.00 52.00 H new ATOM 0 HG LEU A 6 -3.734 -1.780 -0.501 1.00 60.24 H new ATOM 0 HD11 LEU A 6 -5.554 -1.981 -2.178 1.00 31.32 H new ATOM 0 HD12 LEU A 6 -4.517 -0.565 -2.474 1.00 31.32 H new ATOM 0 HD13 LEU A 6 -4.337 -2.024 -3.476 1.00 31.32 H new ATOM 0 HD21 LEU A 6 -4.647 -4.002 -1.094 1.00 12.11 H new ATOM 0 HD22 LEU A 6 -3.362 -4.193 -2.310 1.00 12.11 H new ATOM 0 HD23 LEU A 6 -2.945 -4.086 -0.583 1.00 12.11 H new ATOM 114 N ILE A 7 1.407 -2.718 -1.701 1.00 31.23 N ATOM 115 CA ILE A 7 2.776 -2.317 -2.074 1.00 43.04 C ATOM 116 C ILE A 7 3.025 -2.560 -3.586 1.00 62.13 C ATOM 117 O ILE A 7 2.967 -3.694 -4.070 1.00 11.43 O ATOM 118 CB ILE A 7 3.842 -3.055 -1.176 1.00 3.14 C ATOM 119 CG1 ILE A 7 5.294 -2.581 -1.495 1.00 3.02 C ATOM 120 CG2 ILE A 7 3.722 -4.592 -1.281 1.00 71.43 C ATOM 121 CD1 ILE A 7 6.351 -3.174 -0.579 1.00 25.20 C ATOM 0 H ILE A 7 1.270 -3.727 -1.636 1.00 31.23 H new ATOM 0 HA ILE A 7 2.886 -1.248 -1.893 1.00 43.04 H new ATOM 0 HB ILE A 7 3.625 -2.782 -0.143 1.00 3.14 H new ATOM 0 HG12 ILE A 7 5.533 -2.843 -2.526 1.00 3.02 H new ATOM 0 HG13 ILE A 7 5.335 -1.494 -1.424 1.00 3.02 H new ATOM 0 HG21 ILE A 7 4.475 -5.060 -0.647 1.00 71.43 H new ATOM 0 HG22 ILE A 7 2.729 -4.903 -0.955 1.00 71.43 H new ATOM 0 HG23 ILE A 7 3.877 -4.899 -2.315 1.00 71.43 H new ATOM 0 HD11 ILE A 7 7.333 -2.797 -0.864 1.00 25.20 H new ATOM 0 HD12 ILE A 7 6.139 -2.891 0.452 1.00 25.20 H new ATOM 0 HD13 ILE A 7 6.340 -4.260 -0.667 1.00 25.20 H new ATOM 133 N ILE A 8 3.239 -1.466 -4.336 1.00 5.42 N ATOM 134 CA ILE A 8 3.646 -1.519 -5.744 1.00 63.31 C ATOM 135 C ILE A 8 5.163 -1.251 -5.808 1.00 63.54 C ATOM 136 O ILE A 8 5.598 -0.096 -5.709 1.00 40.20 O ATOM 137 CB ILE A 8 2.876 -0.438 -6.602 1.00 51.51 C ATOM 138 CG1 ILE A 8 1.345 -0.467 -6.296 1.00 41.03 C ATOM 139 CG2 ILE A 8 3.147 -0.627 -8.119 1.00 13.43 C ATOM 140 CD1 ILE A 8 0.561 0.681 -6.901 1.00 13.44 C ATOM 0 H ILE A 8 3.133 -0.517 -3.978 1.00 5.42 H new ATOM 0 HA ILE A 8 3.406 -2.499 -6.156 1.00 63.31 H new ATOM 0 HB ILE A 8 3.255 0.544 -6.318 1.00 51.51 H new ATOM 0 HG12 ILE A 8 0.932 -1.406 -6.664 1.00 41.03 H new ATOM 0 HG13 ILE A 8 1.203 -0.458 -5.215 1.00 41.03 H new ATOM 0 HG21 ILE A 8 2.604 0.131 -8.683 1.00 13.43 H new ATOM 0 HG22 ILE A 8 4.215 -0.528 -8.313 1.00 13.43 H new ATOM 0 HG23 ILE A 8 2.813 -1.618 -8.428 1.00 13.43 H new ATOM 0 HD11 ILE A 8 -0.492 0.581 -6.638 1.00 13.44 H new ATOM 0 HD12 ILE A 8 0.943 1.626 -6.515 1.00 13.44 H new ATOM 0 HD13 ILE A 8 0.667 0.663 -7.986 1.00 13.44 H new ATOM 152 N SER A 9 5.952 -2.323 -5.941 1.00 12.43 N ATOM 153 CA SER A 9 7.416 -2.245 -6.062 1.00 11.30 C ATOM 154 C SER A 9 7.948 -3.548 -6.660 1.00 21.34 C ATOM 155 O SER A 9 7.255 -4.569 -6.661 1.00 33.20 O ATOM 156 CB SER A 9 8.072 -1.970 -4.678 1.00 24.32 C ATOM 157 OG SER A 9 9.483 -1.804 -4.783 1.00 42.54 O ATOM 0 H SER A 9 5.592 -3.277 -5.968 1.00 12.43 H new ATOM 0 HA SER A 9 7.673 -1.417 -6.722 1.00 11.30 H new ATOM 0 HB2 SER A 9 7.633 -1.074 -4.240 1.00 24.32 H new ATOM 0 HB3 SER A 9 7.853 -2.796 -4.002 1.00 24.32 H new ATOM 0 HG SER A 9 9.922 -2.246 -4.026 1.00 42.54 H new ATOM 163 N ASN A 10 9.186 -3.493 -7.151 1.00 14.40 N ATOM 164 CA ASN A 10 9.897 -4.638 -7.761 1.00 33.53 C ATOM 165 C ASN A 10 11.149 -4.957 -6.947 1.00 54.05 C ATOM 166 O ASN A 10 11.714 -6.051 -7.076 1.00 63.12 O ATOM 167 CB ASN A 10 10.284 -4.310 -9.227 1.00 11.20 C ATOM 168 CG ASN A 10 9.078 -3.949 -10.084 1.00 44.04 C ATOM 169 OD1 ASN A 10 8.493 -4.796 -10.758 1.00 61.53 O ATOM 170 ND2 ASN A 10 8.681 -2.690 -10.047 1.00 44.21 N ATOM 0 H ASN A 10 9.742 -2.638 -7.140 1.00 14.40 H new ATOM 0 HA ASN A 10 9.238 -5.507 -7.761 1.00 33.53 H new ATOM 0 HB2 ASN A 10 10.992 -3.481 -9.235 1.00 11.20 H new ATOM 0 HB3 ASN A 10 10.793 -5.169 -9.665 1.00 11.20 H new ATOM 0 HD21 ASN A 10 7.867 -2.396 -10.587 1.00 44.21 H new ATOM 0 HD22 ASN A 10 9.188 -2.012 -9.478 1.00 44.21 H new ATOM 177 N ASP A 11 11.583 -3.983 -6.116 1.00 25.24 N ATOM 178 CA ASP A 11 12.763 -4.123 -5.256 1.00 42.11 C ATOM 179 C ASP A 11 12.456 -5.153 -4.165 1.00 62.34 C ATOM 180 O ASP A 11 11.697 -4.871 -3.241 1.00 50.12 O ATOM 181 CB ASP A 11 13.162 -2.758 -4.639 1.00 25.03 C ATOM 182 CG ASP A 11 14.535 -2.803 -3.939 1.00 52.10 C ATOM 183 OD1 ASP A 11 14.610 -3.108 -2.728 1.00 51.35 O ATOM 184 OD2 ASP A 11 15.551 -2.532 -4.610 1.00 13.44 O ATOM 0 H ASP A 11 11.119 -3.079 -6.028 1.00 25.24 H new ATOM 0 HA ASP A 11 13.610 -4.467 -5.850 1.00 42.11 H new ATOM 0 HB2 ASP A 11 13.183 -2.001 -5.423 1.00 25.03 H new ATOM 0 HB3 ASP A 11 12.402 -2.452 -3.920 1.00 25.03 H new ATOM 189 N LYS A 12 13.030 -6.350 -4.323 1.00 63.22 N ATOM 190 CA LYS A 12 12.706 -7.528 -3.497 1.00 12.14 C ATOM 191 C LYS A 12 13.065 -7.334 -2.014 1.00 32.02 C ATOM 192 O LYS A 12 12.411 -7.912 -1.150 1.00 71.22 O ATOM 193 CB LYS A 12 13.398 -8.791 -4.075 1.00 53.01 C ATOM 194 CG LYS A 12 13.037 -9.092 -5.546 1.00 31.44 C ATOM 195 CD LYS A 12 11.517 -9.277 -5.760 1.00 45.32 C ATOM 196 CE LYS A 12 11.148 -9.492 -7.231 1.00 34.01 C ATOM 197 NZ LYS A 12 9.676 -9.609 -7.420 1.00 51.22 N ATOM 0 H LYS A 12 13.739 -6.535 -5.033 1.00 63.22 H new ATOM 0 HA LYS A 12 11.625 -7.661 -3.535 1.00 12.14 H new ATOM 0 HB2 LYS A 12 14.478 -8.669 -3.995 1.00 53.01 H new ATOM 0 HB3 LYS A 12 13.129 -9.652 -3.463 1.00 53.01 H new ATOM 0 HG2 LYS A 12 13.392 -8.278 -6.177 1.00 31.44 H new ATOM 0 HG3 LYS A 12 13.558 -9.994 -5.867 1.00 31.44 H new ATOM 0 HD2 LYS A 12 11.173 -10.130 -5.175 1.00 45.32 H new ATOM 0 HD3 LYS A 12 10.992 -8.400 -5.383 1.00 45.32 H new ATOM 0 HE2 LYS A 12 11.526 -8.660 -7.826 1.00 34.01 H new ATOM 0 HE3 LYS A 12 11.635 -10.395 -7.600 1.00 34.01 H new ATOM 0 HZ1 LYS A 12 9.466 -9.754 -8.428 1.00 51.22 H new ATOM 0 HZ2 LYS A 12 9.319 -10.418 -6.872 1.00 51.22 H new ATOM 0 HZ3 LYS A 12 9.213 -8.737 -7.092 1.00 51.22 H new ATOM 211 N LYS A 13 14.096 -6.515 -1.731 1.00 53.13 N ATOM 212 CA LYS A 13 14.458 -6.155 -0.346 1.00 54.32 C ATOM 213 C LYS A 13 13.364 -5.261 0.266 1.00 31.51 C ATOM 214 O LYS A 13 12.955 -5.470 1.402 1.00 32.53 O ATOM 215 CB LYS A 13 15.845 -5.454 -0.288 1.00 3.22 C ATOM 216 CG LYS A 13 17.045 -6.392 -0.572 1.00 71.43 C ATOM 217 CD LYS A 13 18.424 -5.708 -0.387 1.00 11.45 C ATOM 218 CE LYS A 13 18.600 -5.044 0.994 1.00 34.24 C ATOM 219 NZ LYS A 13 18.327 -5.981 2.121 1.00 32.12 N ATOM 0 H LYS A 13 14.692 -6.091 -2.442 1.00 53.13 H new ATOM 0 HA LYS A 13 14.532 -7.071 0.240 1.00 54.32 H new ATOM 0 HB2 LYS A 13 15.857 -4.638 -1.011 1.00 3.22 H new ATOM 0 HB3 LYS A 13 15.973 -5.008 0.698 1.00 3.22 H new ATOM 0 HG2 LYS A 13 16.985 -7.256 0.090 1.00 71.43 H new ATOM 0 HG3 LYS A 13 16.969 -6.767 -1.593 1.00 71.43 H new ATOM 0 HD2 LYS A 13 19.210 -6.449 -0.528 1.00 11.45 H new ATOM 0 HD3 LYS A 13 18.554 -4.954 -1.163 1.00 11.45 H new ATOM 0 HE2 LYS A 13 19.617 -4.662 1.082 1.00 34.24 H new ATOM 0 HE3 LYS A 13 17.930 -4.187 1.069 1.00 34.24 H new ATOM 0 HZ1 LYS A 13 19.096 -5.919 2.818 1.00 32.12 H new ATOM 0 HZ2 LYS A 13 17.427 -5.726 2.574 1.00 32.12 H new ATOM 0 HZ3 LYS A 13 18.268 -6.954 1.757 1.00 32.12 H new ATOM 233 N LEU A 14 12.870 -4.298 -0.527 1.00 42.33 N ATOM 234 CA LEU A 14 11.819 -3.355 -0.102 1.00 65.44 C ATOM 235 C LEU A 14 10.498 -4.097 0.180 1.00 2.11 C ATOM 236 O LEU A 14 9.868 -3.863 1.214 1.00 11.14 O ATOM 237 CB LEU A 14 11.674 -2.245 -1.188 1.00 33.14 C ATOM 238 CG LEU A 14 10.822 -0.961 -0.837 1.00 13.02 C ATOM 239 CD1 LEU A 14 11.344 0.271 -1.608 1.00 22.04 C ATOM 240 CD2 LEU A 14 9.316 -1.150 -1.118 1.00 5.04 C ATOM 0 H LEU A 14 13.188 -4.149 -1.485 1.00 42.33 H new ATOM 0 HA LEU A 14 12.097 -2.876 0.837 1.00 65.44 H new ATOM 0 HB2 LEU A 14 12.676 -1.915 -1.462 1.00 33.14 H new ATOM 0 HB3 LEU A 14 11.236 -2.703 -2.075 1.00 33.14 H new ATOM 0 HG LEU A 14 10.939 -0.798 0.234 1.00 13.02 H new ATOM 0 HD11 LEU A 14 10.743 1.143 -1.351 1.00 22.04 H new ATOM 0 HD12 LEU A 14 12.384 0.455 -1.338 1.00 22.04 H new ATOM 0 HD13 LEU A 14 11.274 0.086 -2.680 1.00 22.04 H new ATOM 0 HD21 LEU A 14 8.780 -0.237 -0.859 1.00 5.04 H new ATOM 0 HD22 LEU A 14 9.168 -1.370 -2.175 1.00 5.04 H new ATOM 0 HD23 LEU A 14 8.935 -1.977 -0.519 1.00 5.04 H new ATOM 252 N ILE A 15 10.139 -5.026 -0.730 1.00 14.43 N ATOM 253 CA ILE A 15 8.896 -5.815 -0.660 1.00 41.41 C ATOM 254 C ILE A 15 8.882 -6.708 0.591 1.00 3.25 C ATOM 255 O ILE A 15 7.943 -6.657 1.391 1.00 61.34 O ATOM 256 CB ILE A 15 8.729 -6.705 -1.953 1.00 45.03 C ATOM 257 CG1 ILE A 15 8.635 -5.824 -3.242 1.00 44.54 C ATOM 258 CG2 ILE A 15 7.511 -7.654 -1.840 1.00 70.12 C ATOM 259 CD1 ILE A 15 8.633 -6.614 -4.544 1.00 60.31 C ATOM 0 H ILE A 15 10.713 -5.250 -1.543 1.00 14.43 H new ATOM 0 HA ILE A 15 8.061 -5.117 -0.600 1.00 41.41 H new ATOM 0 HB ILE A 15 9.622 -7.325 -2.035 1.00 45.03 H new ATOM 0 HG12 ILE A 15 7.725 -5.225 -3.193 1.00 44.54 H new ATOM 0 HG13 ILE A 15 9.474 -5.128 -3.254 1.00 44.54 H new ATOM 0 HG21 ILE A 15 7.429 -8.250 -2.749 1.00 70.12 H new ATOM 0 HG22 ILE A 15 7.643 -8.315 -0.983 1.00 70.12 H new ATOM 0 HG23 ILE A 15 6.603 -7.066 -1.708 1.00 70.12 H new ATOM 0 HD11 ILE A 15 8.565 -5.926 -5.387 1.00 60.31 H new ATOM 0 HD12 ILE A 15 9.554 -7.192 -4.620 1.00 60.31 H new ATOM 0 HD13 ILE A 15 7.778 -7.290 -4.558 1.00 60.31 H new ATOM 271 N GLU A 16 9.945 -7.517 0.732 1.00 43.20 N ATOM 272 CA GLU A 16 10.052 -8.510 1.809 1.00 44.41 C ATOM 273 C GLU A 16 10.147 -7.854 3.193 1.00 43.51 C ATOM 274 O GLU A 16 9.394 -8.224 4.086 1.00 20.52 O ATOM 275 CB GLU A 16 11.236 -9.461 1.550 1.00 61.11 C ATOM 276 CG GLU A 16 11.060 -10.345 0.299 1.00 14.34 C ATOM 277 CD GLU A 16 9.910 -11.362 0.406 1.00 33.22 C ATOM 278 OE1 GLU A 16 10.149 -12.483 0.909 1.00 60.43 O ATOM 279 OE2 GLU A 16 8.763 -11.055 0.001 1.00 35.32 O ATOM 0 H GLU A 16 10.749 -7.500 0.105 1.00 43.20 H new ATOM 0 HA GLU A 16 9.135 -9.099 1.808 1.00 44.41 H new ATOM 0 HB2 GLU A 16 12.147 -8.872 1.442 1.00 61.11 H new ATOM 0 HB3 GLU A 16 11.372 -10.102 2.421 1.00 61.11 H new ATOM 0 HG2 GLU A 16 10.884 -9.703 -0.564 1.00 14.34 H new ATOM 0 HG3 GLU A 16 11.990 -10.882 0.113 1.00 14.34 H new ATOM 286 N GLU A 17 11.048 -6.856 3.352 1.00 62.40 N ATOM 287 CA GLU A 17 11.246 -6.158 4.642 1.00 31.31 C ATOM 288 C GLU A 17 9.984 -5.380 5.073 1.00 33.23 C ATOM 289 O GLU A 17 9.689 -5.281 6.275 1.00 42.10 O ATOM 290 CB GLU A 17 12.474 -5.217 4.584 1.00 60.24 C ATOM 291 CG GLU A 17 13.820 -5.928 4.355 1.00 65.11 C ATOM 292 CD GLU A 17 15.039 -4.986 4.433 1.00 71.34 C ATOM 293 OE1 GLU A 17 15.232 -4.347 5.497 1.00 63.43 O ATOM 294 OE2 GLU A 17 15.825 -4.905 3.454 1.00 11.53 O ATOM 0 H GLU A 17 11.649 -6.517 2.601 1.00 62.40 H new ATOM 0 HA GLU A 17 11.435 -6.923 5.395 1.00 31.31 H new ATOM 0 HB2 GLU A 17 12.321 -4.492 3.785 1.00 60.24 H new ATOM 0 HB3 GLU A 17 12.529 -4.656 5.517 1.00 60.24 H new ATOM 0 HG2 GLU A 17 13.934 -6.718 5.097 1.00 65.11 H new ATOM 0 HG3 GLU A 17 13.805 -6.409 3.377 1.00 65.11 H new ATOM 301 N ALA A 18 9.241 -4.840 4.085 1.00 31.34 N ATOM 302 CA ALA A 18 7.950 -4.179 4.337 1.00 34.31 C ATOM 303 C ALA A 18 6.889 -5.207 4.773 1.00 51.03 C ATOM 304 O ALA A 18 6.128 -4.958 5.707 1.00 71.11 O ATOM 305 CB ALA A 18 7.486 -3.410 3.094 1.00 1.14 C ATOM 0 H ALA A 18 9.517 -4.851 3.103 1.00 31.34 H new ATOM 0 HA ALA A 18 8.083 -3.464 5.149 1.00 34.31 H new ATOM 0 HB1 ALA A 18 6.530 -2.928 3.300 1.00 1.14 H new ATOM 0 HB2 ALA A 18 8.226 -2.652 2.838 1.00 1.14 H new ATOM 0 HB3 ALA A 18 7.371 -4.102 2.260 1.00 1.14 H new ATOM 311 N ARG A 19 6.869 -6.373 4.089 1.00 1.43 N ATOM 312 CA ARG A 19 5.928 -7.469 4.392 1.00 0.51 C ATOM 313 C ARG A 19 6.185 -8.043 5.790 1.00 44.12 C ATOM 314 O ARG A 19 5.244 -8.403 6.502 1.00 2.02 O ATOM 315 CB ARG A 19 6.009 -8.586 3.317 1.00 22.54 C ATOM 316 CG ARG A 19 4.955 -9.704 3.486 1.00 21.31 C ATOM 317 CD ARG A 19 4.988 -10.735 2.352 1.00 5.42 C ATOM 318 NE ARG A 19 6.305 -11.376 2.203 1.00 72.31 N ATOM 319 CZ ARG A 19 6.680 -12.517 2.800 1.00 24.03 C ATOM 320 NH1 ARG A 19 5.862 -13.178 3.611 1.00 55.51 N ATOM 321 NH2 ARG A 19 7.878 -12.997 2.566 1.00 14.31 N ATOM 0 H ARG A 19 7.502 -6.578 3.316 1.00 1.43 H new ATOM 0 HA ARG A 19 4.920 -7.056 4.375 1.00 0.51 H new ATOM 0 HB2 ARG A 19 5.890 -8.136 2.331 1.00 22.54 H new ATOM 0 HB3 ARG A 19 7.003 -9.032 3.346 1.00 22.54 H new ATOM 0 HG2 ARG A 19 5.121 -10.212 4.436 1.00 21.31 H new ATOM 0 HG3 ARG A 19 3.963 -9.256 3.533 1.00 21.31 H new ATOM 0 HD2 ARG A 19 4.235 -11.501 2.541 1.00 5.42 H new ATOM 0 HD3 ARG A 19 4.718 -10.247 1.415 1.00 5.42 H new ATOM 0 HE ARG A 19 6.986 -10.916 1.598 1.00 72.31 H new ATOM 0 HH11 ARG A 19 4.924 -12.820 3.792 1.00 55.51 H new ATOM 0 HH12 ARG A 19 6.172 -14.044 4.053 1.00 55.51 H new ATOM 0 HH21 ARG A 19 8.511 -12.503 1.937 1.00 14.31 H new ATOM 0 HH22 ARG A 19 8.176 -13.864 3.013 1.00 14.31 H new ATOM 335 N LYS A 20 7.474 -8.075 6.186 1.00 10.31 N ATOM 336 CA LYS A 20 7.873 -8.507 7.527 1.00 2.30 C ATOM 337 C LYS A 20 7.312 -7.536 8.573 1.00 15.12 C ATOM 338 O LYS A 20 6.685 -7.970 9.527 1.00 13.53 O ATOM 339 CB LYS A 20 9.417 -8.641 7.648 1.00 41.31 C ATOM 340 CG LYS A 20 10.097 -9.721 6.754 1.00 52.20 C ATOM 341 CD LYS A 20 9.555 -11.174 6.945 1.00 22.32 C ATOM 342 CE LYS A 20 8.372 -11.519 6.016 1.00 34.33 C ATOM 343 NZ LYS A 20 7.737 -12.814 6.368 1.00 64.33 N ATOM 0 H LYS A 20 8.254 -7.804 5.588 1.00 10.31 H new ATOM 0 HA LYS A 20 7.456 -9.497 7.710 1.00 2.30 H new ATOM 0 HB2 LYS A 20 9.862 -7.674 7.412 1.00 41.31 H new ATOM 0 HB3 LYS A 20 9.659 -8.858 8.688 1.00 41.31 H new ATOM 0 HG2 LYS A 20 9.972 -9.437 5.709 1.00 52.20 H new ATOM 0 HG3 LYS A 20 11.168 -9.719 6.959 1.00 52.20 H new ATOM 0 HD2 LYS A 20 10.365 -11.881 6.766 1.00 22.32 H new ATOM 0 HD3 LYS A 20 9.242 -11.303 7.981 1.00 22.32 H new ATOM 0 HE2 LYS A 20 7.627 -10.725 6.070 1.00 34.33 H new ATOM 0 HE3 LYS A 20 8.722 -11.557 4.985 1.00 34.33 H new ATOM 0 HZ1 LYS A 20 7.987 -13.529 5.655 1.00 64.33 H new ATOM 0 HZ2 LYS A 20 8.074 -13.124 7.302 1.00 64.33 H new ATOM 0 HZ3 LYS A 20 6.704 -12.698 6.394 1.00 64.33 H new ATOM 357 N MET A 21 7.485 -6.221 8.324 1.00 3.02 N ATOM 358 CA MET A 21 6.959 -5.147 9.201 1.00 73.41 C ATOM 359 C MET A 21 5.431 -5.187 9.311 1.00 61.22 C ATOM 360 O MET A 21 4.877 -4.886 10.372 1.00 14.23 O ATOM 361 CB MET A 21 7.425 -3.750 8.697 1.00 72.53 C ATOM 362 CG MET A 21 8.847 -3.378 9.125 1.00 33.43 C ATOM 363 SD MET A 21 9.051 -3.299 10.919 1.00 65.34 S ATOM 364 CE MET A 21 7.816 -2.077 11.380 1.00 53.03 C ATOM 0 H MET A 21 7.992 -5.871 7.511 1.00 3.02 H new ATOM 0 HA MET A 21 7.364 -5.321 10.198 1.00 73.41 H new ATOM 0 HB2 MET A 21 7.367 -3.729 7.609 1.00 72.53 H new ATOM 0 HB3 MET A 21 6.735 -2.992 9.068 1.00 72.53 H new ATOM 0 HG2 MET A 21 9.545 -4.109 8.718 1.00 33.43 H new ATOM 0 HG3 MET A 21 9.109 -2.412 8.693 1.00 33.43 H new ATOM 0 HE1 MET A 21 8.026 -1.709 12.384 1.00 53.03 H new ATOM 0 HE2 MET A 21 7.845 -1.246 10.675 1.00 53.03 H new ATOM 0 HE3 MET A 21 6.827 -2.534 11.361 1.00 53.03 H new ATOM 374 N ALA A 22 4.768 -5.538 8.202 1.00 52.33 N ATOM 375 CA ALA A 22 3.312 -5.678 8.163 1.00 54.33 C ATOM 376 C ALA A 22 2.838 -6.841 9.049 1.00 1.13 C ATOM 377 O ALA A 22 1.915 -6.677 9.833 1.00 24.10 O ATOM 378 CB ALA A 22 2.840 -5.852 6.721 1.00 34.21 C ATOM 0 H ALA A 22 5.226 -5.732 7.311 1.00 52.33 H new ATOM 0 HA ALA A 22 2.868 -4.767 8.564 1.00 54.33 H new ATOM 0 HB1 ALA A 22 1.755 -5.955 6.703 1.00 34.21 H new ATOM 0 HB2 ALA A 22 3.131 -4.980 6.135 1.00 34.21 H new ATOM 0 HB3 ALA A 22 3.297 -6.745 6.294 1.00 34.21 H new ATOM 384 N GLU A 23 3.522 -7.993 8.944 1.00 1.32 N ATOM 385 CA GLU A 23 3.180 -9.213 9.709 1.00 35.43 C ATOM 386 C GLU A 23 3.550 -9.060 11.208 1.00 2.22 C ATOM 387 O GLU A 23 2.910 -9.655 12.080 1.00 12.14 O ATOM 388 CB GLU A 23 3.874 -10.446 9.064 1.00 12.34 C ATOM 389 CG GLU A 23 3.379 -10.780 7.632 1.00 53.02 C ATOM 390 CD GLU A 23 4.079 -11.998 7.006 1.00 34.00 C ATOM 391 OE1 GLU A 23 3.684 -13.148 7.304 1.00 34.42 O ATOM 392 OE2 GLU A 23 5.037 -11.823 6.222 1.00 34.51 O ATOM 0 H GLU A 23 4.327 -8.109 8.328 1.00 1.32 H new ATOM 0 HA GLU A 23 2.102 -9.366 9.668 1.00 35.43 H new ATOM 0 HB2 GLU A 23 4.949 -10.268 9.032 1.00 12.34 H new ATOM 0 HB3 GLU A 23 3.714 -11.314 9.703 1.00 12.34 H new ATOM 0 HG2 GLU A 23 2.305 -10.964 7.662 1.00 53.02 H new ATOM 0 HG3 GLU A 23 3.536 -9.912 6.991 1.00 53.02 H new ATOM 399 N LYS A 24 4.583 -8.236 11.484 1.00 31.44 N ATOM 400 CA LYS A 24 4.977 -7.842 12.860 1.00 1.55 C ATOM 401 C LYS A 24 3.883 -6.947 13.479 1.00 52.01 C ATOM 402 O LYS A 24 3.522 -7.101 14.651 1.00 41.03 O ATOM 403 CB LYS A 24 6.344 -7.094 12.836 1.00 60.45 C ATOM 404 CG LYS A 24 7.556 -7.984 12.470 1.00 43.24 C ATOM 405 CD LYS A 24 8.816 -7.153 12.114 1.00 2.33 C ATOM 406 CE LYS A 24 10.013 -8.030 11.711 1.00 11.14 C ATOM 407 NZ LYS A 24 11.227 -7.226 11.392 1.00 74.24 N ATOM 0 H LYS A 24 5.170 -7.823 10.760 1.00 31.44 H new ATOM 0 HA LYS A 24 5.087 -8.738 13.470 1.00 1.55 H new ATOM 0 HB2 LYS A 24 6.282 -6.274 12.121 1.00 60.45 H new ATOM 0 HB3 LYS A 24 6.518 -6.650 13.816 1.00 60.45 H new ATOM 0 HG2 LYS A 24 7.784 -8.644 13.307 1.00 43.24 H new ATOM 0 HG3 LYS A 24 7.294 -8.620 11.625 1.00 43.24 H new ATOM 0 HD2 LYS A 24 8.578 -6.473 11.296 1.00 2.33 H new ATOM 0 HD3 LYS A 24 9.094 -6.538 12.970 1.00 2.33 H new ATOM 0 HE2 LYS A 24 10.242 -8.722 12.522 1.00 11.14 H new ATOM 0 HE3 LYS A 24 9.742 -8.633 10.844 1.00 11.14 H new ATOM 0 HZ1 LYS A 24 12.005 -7.863 11.126 1.00 74.24 H new ATOM 0 HZ2 LYS A 24 11.020 -6.584 10.601 1.00 74.24 H new ATOM 0 HZ3 LYS A 24 11.504 -6.670 12.226 1.00 74.24 H new ATOM 421 N ALA A 25 3.350 -6.030 12.656 1.00 63.44 N ATOM 422 CA ALA A 25 2.284 -5.088 13.054 1.00 61.32 C ATOM 423 C ALA A 25 0.878 -5.714 12.886 1.00 71.31 C ATOM 424 O ALA A 25 -0.120 -5.051 13.183 1.00 50.45 O ATOM 425 CB ALA A 25 2.417 -3.791 12.236 1.00 33.15 C ATOM 0 H ALA A 25 3.647 -5.918 11.687 1.00 63.44 H new ATOM 0 HA ALA A 25 2.401 -4.856 14.113 1.00 61.32 H new ATOM 0 HB1 ALA A 25 1.631 -3.094 12.528 1.00 33.15 H new ATOM 0 HB2 ALA A 25 3.391 -3.340 12.425 1.00 33.15 H new ATOM 0 HB3 ALA A 25 2.323 -4.019 11.174 1.00 33.15 H new ATOM 431 N ASN A 26 0.835 -6.979 12.376 1.00 32.32 N ATOM 432 CA ASN A 26 -0.402 -7.785 12.148 1.00 24.33 C ATOM 433 C ASN A 26 -1.227 -7.263 10.937 1.00 33.14 C ATOM 434 O ASN A 26 -2.260 -7.840 10.584 1.00 74.43 O ATOM 435 CB ASN A 26 -1.256 -7.898 13.458 1.00 72.31 C ATOM 436 CG ASN A 26 -2.463 -8.863 13.405 1.00 21.02 C ATOM 437 OD1 ASN A 26 -3.499 -8.615 14.023 1.00 13.24 O ATOM 438 ND2 ASN A 26 -2.341 -9.979 12.702 1.00 42.21 N ATOM 0 H ASN A 26 1.682 -7.479 12.105 1.00 32.32 H new ATOM 0 HA ASN A 26 -0.091 -8.796 11.884 1.00 24.33 H new ATOM 0 HB2 ASN A 26 -0.600 -8.215 14.269 1.00 72.31 H new ATOM 0 HB3 ASN A 26 -1.623 -6.904 13.715 1.00 72.31 H new ATOM 0 HD21 ASN A 26 -3.111 -10.647 12.667 1.00 42.21 H new ATOM 0 HD22 ASN A 26 -1.477 -10.171 12.195 1.00 42.21 H new ATOM 445 N LEU A 27 -0.719 -6.209 10.266 1.00 34.34 N ATOM 446 CA LEU A 27 -1.364 -5.593 9.089 1.00 62.13 C ATOM 447 C LEU A 27 -1.247 -6.514 7.857 1.00 33.03 C ATOM 448 O LEU A 27 -0.246 -7.223 7.696 1.00 3.42 O ATOM 449 CB LEU A 27 -0.716 -4.212 8.781 1.00 73.00 C ATOM 450 CG LEU A 27 -0.633 -3.209 9.976 1.00 13.31 C ATOM 451 CD1 LEU A 27 -0.038 -1.854 9.541 1.00 55.35 C ATOM 452 CD2 LEU A 27 -1.997 -3.025 10.665 1.00 61.44 C ATOM 0 H LEU A 27 0.158 -5.758 10.528 1.00 34.34 H new ATOM 0 HA LEU A 27 -2.420 -5.449 9.316 1.00 62.13 H new ATOM 0 HB2 LEU A 27 0.293 -4.383 8.406 1.00 73.00 H new ATOM 0 HB3 LEU A 27 -1.280 -3.741 7.976 1.00 73.00 H new ATOM 0 HG LEU A 27 0.045 -3.645 10.710 1.00 13.31 H new ATOM 0 HD11 LEU A 27 0.004 -1.183 10.399 1.00 55.35 H new ATOM 0 HD12 LEU A 27 0.968 -2.007 9.151 1.00 55.35 H new ATOM 0 HD13 LEU A 27 -0.665 -1.413 8.766 1.00 55.35 H new ATOM 0 HD21 LEU A 27 -1.896 -2.320 11.490 1.00 61.44 H new ATOM 0 HD22 LEU A 27 -2.719 -2.640 9.945 1.00 61.44 H new ATOM 0 HD23 LEU A 27 -2.343 -3.985 11.048 1.00 61.44 H new ATOM 464 N GLU A 28 -2.270 -6.488 6.992 1.00 74.00 N ATOM 465 CA GLU A 28 -2.310 -7.301 5.762 1.00 43.31 C ATOM 466 C GLU A 28 -1.644 -6.549 4.602 1.00 24.14 C ATOM 467 O GLU A 28 -2.081 -5.466 4.236 1.00 51.03 O ATOM 468 CB GLU A 28 -3.781 -7.663 5.420 1.00 51.21 C ATOM 469 CG GLU A 28 -4.417 -8.692 6.373 1.00 23.33 C ATOM 470 CD GLU A 28 -3.806 -10.099 6.225 1.00 63.43 C ATOM 471 OE1 GLU A 28 -4.280 -10.872 5.364 1.00 32.52 O ATOM 472 OE2 GLU A 28 -2.840 -10.432 6.946 1.00 43.52 O ATOM 0 H GLU A 28 -3.095 -5.903 7.123 1.00 74.00 H new ATOM 0 HA GLU A 28 -1.755 -8.225 5.925 1.00 43.31 H new ATOM 0 HB2 GLU A 28 -4.380 -6.752 5.435 1.00 51.21 H new ATOM 0 HB3 GLU A 28 -3.820 -8.054 4.403 1.00 51.21 H new ATOM 0 HG2 GLU A 28 -4.293 -8.353 7.402 1.00 23.33 H new ATOM 0 HG3 GLU A 28 -5.489 -8.744 6.182 1.00 23.33 H new ATOM 479 N LEU A 29 -0.591 -7.148 4.030 1.00 64.23 N ATOM 480 CA LEU A 29 0.156 -6.571 2.904 1.00 32.13 C ATOM 481 C LEU A 29 -0.103 -7.408 1.646 1.00 2.24 C ATOM 482 O LEU A 29 0.096 -8.626 1.653 1.00 52.33 O ATOM 483 CB LEU A 29 1.671 -6.480 3.246 1.00 53.10 C ATOM 484 CG LEU A 29 2.618 -5.897 2.117 1.00 14.43 C ATOM 485 CD1 LEU A 29 3.718 -4.980 2.698 1.00 54.40 C ATOM 486 CD2 LEU A 29 3.252 -7.026 1.269 1.00 24.00 C ATOM 0 H LEU A 29 -0.231 -8.052 4.337 1.00 64.23 H new ATOM 0 HA LEU A 29 -0.186 -5.554 2.713 1.00 32.13 H new ATOM 0 HB2 LEU A 29 1.783 -5.863 4.137 1.00 53.10 H new ATOM 0 HB3 LEU A 29 2.023 -7.479 3.504 1.00 53.10 H new ATOM 0 HG LEU A 29 1.988 -5.291 1.467 1.00 14.43 H new ATOM 0 HD11 LEU A 29 4.343 -4.603 1.888 1.00 54.40 H new ATOM 0 HD12 LEU A 29 3.255 -4.142 3.219 1.00 54.40 H new ATOM 0 HD13 LEU A 29 4.333 -5.547 3.397 1.00 54.40 H new ATOM 0 HD21 LEU A 29 3.895 -6.590 0.505 1.00 24.00 H new ATOM 0 HD22 LEU A 29 3.844 -7.676 1.913 1.00 24.00 H new ATOM 0 HD23 LEU A 29 2.464 -7.608 0.791 1.00 24.00 H new ATOM 498 N ARG A 30 -0.559 -6.737 0.576 1.00 33.12 N ATOM 499 CA ARG A 30 -0.815 -7.349 -0.731 1.00 65.22 C ATOM 500 C ARG A 30 0.217 -6.795 -1.723 1.00 72.12 C ATOM 501 O ARG A 30 0.342 -5.571 -1.870 1.00 41.45 O ATOM 502 CB ARG A 30 -2.252 -7.030 -1.233 1.00 75.31 C ATOM 503 CG ARG A 30 -3.421 -7.443 -0.300 1.00 23.12 C ATOM 504 CD ARG A 30 -3.556 -8.969 -0.081 1.00 63.01 C ATOM 505 NE ARG A 30 -2.619 -9.486 0.934 1.00 20.35 N ATOM 506 CZ ARG A 30 -2.955 -9.876 2.184 1.00 3.22 C ATOM 507 NH1 ARG A 30 -4.222 -9.821 2.599 1.00 51.22 N ATOM 508 NH2 ARG A 30 -2.020 -10.303 3.019 1.00 50.03 N ATOM 0 H ARG A 30 -0.762 -5.738 0.599 1.00 33.12 H new ATOM 0 HA ARG A 30 -0.730 -8.432 -0.646 1.00 65.22 H new ATOM 0 HB2 ARG A 30 -2.321 -5.957 -1.411 1.00 75.31 H new ATOM 0 HB3 ARG A 30 -2.394 -7.522 -2.195 1.00 75.31 H new ATOM 0 HG2 ARG A 30 -3.285 -6.960 0.668 1.00 23.12 H new ATOM 0 HG3 ARG A 30 -4.354 -7.064 -0.717 1.00 23.12 H new ATOM 0 HD2 ARG A 30 -4.577 -9.199 0.223 1.00 63.01 H new ATOM 0 HD3 ARG A 30 -3.381 -9.484 -1.026 1.00 63.01 H new ATOM 0 HE ARG A 30 -1.636 -9.555 0.671 1.00 20.35 H new ATOM 0 HH11 ARG A 30 -4.950 -9.482 1.971 1.00 51.22 H new ATOM 0 HH12 ARG A 30 -4.462 -10.118 3.545 1.00 51.22 H new ATOM 0 HH21 ARG A 30 -1.046 -10.338 2.719 1.00 50.03 H new ATOM 0 HH22 ARG A 30 -2.274 -10.597 3.962 1.00 50.03 H new ATOM 522 N THR A 31 0.953 -7.694 -2.383 1.00 64.34 N ATOM 523 CA THR A 31 1.960 -7.330 -3.384 1.00 74.21 C ATOM 524 C THR A 31 1.279 -7.120 -4.746 1.00 1.32 C ATOM 525 O THR A 31 0.630 -8.032 -5.275 1.00 60.45 O ATOM 526 CB THR A 31 3.065 -8.434 -3.464 1.00 43.53 C ATOM 527 OG1 THR A 31 2.452 -9.733 -3.524 1.00 53.01 O ATOM 528 CG2 THR A 31 4.008 -8.382 -2.250 1.00 21.21 C ATOM 0 H THR A 31 0.867 -8.700 -2.237 1.00 64.34 H new ATOM 0 HA THR A 31 2.443 -6.397 -3.094 1.00 74.21 H new ATOM 0 HB THR A 31 3.651 -8.249 -4.364 1.00 43.53 H new ATOM 0 HG1 THR A 31 1.672 -9.699 -4.116 1.00 53.01 H new ATOM 0 HG21 THR A 31 4.762 -9.164 -2.341 1.00 21.21 H new ATOM 0 HG22 THR A 31 4.497 -7.409 -2.211 1.00 21.21 H new ATOM 0 HG23 THR A 31 3.434 -8.537 -1.336 1.00 21.21 H new ATOM 536 N VAL A 32 1.398 -5.893 -5.275 1.00 21.12 N ATOM 537 CA VAL A 32 0.777 -5.475 -6.539 1.00 2.21 C ATOM 538 C VAL A 32 1.856 -5.363 -7.630 1.00 31.13 C ATOM 539 O VAL A 32 2.871 -4.673 -7.442 1.00 44.11 O ATOM 540 CB VAL A 32 0.046 -4.090 -6.370 1.00 70.05 C ATOM 541 CG1 VAL A 32 -0.679 -3.683 -7.667 1.00 33.31 C ATOM 542 CG2 VAL A 32 -0.919 -4.105 -5.157 1.00 41.21 C ATOM 0 H VAL A 32 1.938 -5.152 -4.828 1.00 21.12 H new ATOM 0 HA VAL A 32 0.038 -6.222 -6.828 1.00 2.21 H new ATOM 0 HB VAL A 32 0.806 -3.335 -6.169 1.00 70.05 H new ATOM 0 HG11 VAL A 32 -1.175 -2.723 -7.521 1.00 33.31 H new ATOM 0 HG12 VAL A 32 0.045 -3.598 -8.477 1.00 33.31 H new ATOM 0 HG13 VAL A 32 -1.421 -4.440 -7.922 1.00 33.31 H new ATOM 0 HG21 VAL A 32 -1.407 -3.134 -5.068 1.00 41.21 H new ATOM 0 HG22 VAL A 32 -1.673 -4.879 -5.301 1.00 41.21 H new ATOM 0 HG23 VAL A 32 -0.356 -4.312 -4.247 1.00 41.21 H new ATOM 552 N LYS A 33 1.643 -6.062 -8.758 1.00 75.53 N ATOM 553 CA LYS A 33 2.567 -6.051 -9.910 1.00 55.12 C ATOM 554 C LYS A 33 2.000 -5.169 -11.038 1.00 45.43 C ATOM 555 O LYS A 33 2.720 -4.360 -11.636 1.00 50.34 O ATOM 556 CB LYS A 33 2.824 -7.510 -10.388 1.00 10.45 C ATOM 557 CG LYS A 33 3.453 -8.429 -9.301 1.00 64.15 C ATOM 558 CD LYS A 33 3.433 -9.933 -9.687 1.00 22.21 C ATOM 559 CE LYS A 33 2.010 -10.529 -9.729 1.00 31.10 C ATOM 560 NZ LYS A 33 2.014 -11.964 -10.147 1.00 21.33 N ATOM 0 H LYS A 33 0.824 -6.653 -8.899 1.00 75.53 H new ATOM 0 HA LYS A 33 3.523 -5.622 -9.611 1.00 55.12 H new ATOM 0 HB2 LYS A 33 1.880 -7.946 -10.716 1.00 10.45 H new ATOM 0 HB3 LYS A 33 3.483 -7.487 -11.256 1.00 10.45 H new ATOM 0 HG2 LYS A 33 4.483 -8.119 -9.124 1.00 64.15 H new ATOM 0 HG3 LYS A 33 2.914 -8.294 -8.363 1.00 64.15 H new ATOM 0 HD2 LYS A 33 3.901 -10.058 -10.663 1.00 22.21 H new ATOM 0 HD3 LYS A 33 4.034 -10.494 -8.971 1.00 22.21 H new ATOM 0 HE2 LYS A 33 1.551 -10.440 -8.744 1.00 31.10 H new ATOM 0 HE3 LYS A 33 1.396 -9.952 -10.421 1.00 31.10 H new ATOM 0 HZ1 LYS A 33 1.038 -12.324 -10.162 1.00 21.33 H new ATOM 0 HZ2 LYS A 33 2.428 -12.048 -11.097 1.00 21.33 H new ATOM 0 HZ3 LYS A 33 2.578 -12.520 -9.473 1.00 21.33 H new ATOM 574 N THR A 34 0.692 -5.310 -11.302 1.00 33.15 N ATOM 575 CA THR A 34 -0.011 -4.580 -12.379 1.00 10.33 C ATOM 576 C THR A 34 -1.139 -3.713 -11.795 1.00 23.22 C ATOM 577 O THR A 34 -1.631 -3.988 -10.692 1.00 73.14 O ATOM 578 CB THR A 34 -0.598 -5.573 -13.431 1.00 33.41 C ATOM 579 OG1 THR A 34 -1.482 -6.507 -12.791 1.00 71.51 O ATOM 580 CG2 THR A 34 0.505 -6.343 -14.185 1.00 21.24 C ATOM 0 H THR A 34 0.085 -5.936 -10.774 1.00 33.15 H new ATOM 0 HA THR A 34 0.713 -3.934 -12.875 1.00 10.33 H new ATOM 0 HB THR A 34 -1.149 -4.979 -14.160 1.00 33.41 H new ATOM 0 HG1 THR A 34 -1.002 -6.975 -12.077 1.00 71.51 H new ATOM 0 HG21 THR A 34 0.048 -7.021 -14.906 1.00 21.24 H new ATOM 0 HG22 THR A 34 1.149 -5.636 -14.709 1.00 21.24 H new ATOM 0 HG23 THR A 34 1.100 -6.916 -13.474 1.00 21.24 H new ATOM 588 N GLU A 35 -1.556 -2.682 -12.564 1.00 24.54 N ATOM 589 CA GLU A 35 -2.590 -1.715 -12.136 1.00 24.11 C ATOM 590 C GLU A 35 -3.941 -2.406 -11.856 1.00 60.20 C ATOM 591 O GLU A 35 -4.663 -2.009 -10.938 1.00 13.31 O ATOM 592 CB GLU A 35 -2.781 -0.604 -13.205 1.00 33.44 C ATOM 593 CG GLU A 35 -3.355 -1.093 -14.554 1.00 12.53 C ATOM 594 CD GLU A 35 -3.645 0.038 -15.542 1.00 62.50 C ATOM 595 OE1 GLU A 35 -4.752 0.626 -15.478 1.00 50.12 O ATOM 596 OE2 GLU A 35 -2.761 0.374 -16.361 1.00 55.11 O ATOM 0 H GLU A 35 -1.186 -2.498 -13.496 1.00 24.54 H new ATOM 0 HA GLU A 35 -2.241 -1.264 -11.207 1.00 24.11 H new ATOM 0 HB2 GLU A 35 -3.444 0.160 -12.800 1.00 33.44 H new ATOM 0 HB3 GLU A 35 -1.819 -0.126 -13.388 1.00 33.44 H new ATOM 0 HG2 GLU A 35 -2.650 -1.789 -15.008 1.00 12.53 H new ATOM 0 HG3 GLU A 35 -4.275 -1.647 -14.368 1.00 12.53 H new ATOM 603 N ASP A 36 -4.248 -3.457 -12.646 1.00 33.50 N ATOM 604 CA ASP A 36 -5.519 -4.194 -12.563 1.00 15.20 C ATOM 605 C ASP A 36 -5.658 -4.905 -11.207 1.00 30.41 C ATOM 606 O ASP A 36 -6.766 -5.011 -10.663 1.00 23.41 O ATOM 607 CB ASP A 36 -5.627 -5.205 -13.731 1.00 12.11 C ATOM 608 CG ASP A 36 -7.015 -5.865 -13.824 1.00 32.03 C ATOM 609 OD1 ASP A 36 -7.952 -5.222 -14.347 1.00 22.14 O ATOM 610 OD2 ASP A 36 -7.184 -7.018 -13.365 1.00 60.51 O ATOM 0 H ASP A 36 -3.616 -3.817 -13.361 1.00 33.50 H new ATOM 0 HA ASP A 36 -6.338 -3.479 -12.646 1.00 15.20 H new ATOM 0 HB2 ASP A 36 -5.409 -4.694 -14.669 1.00 12.11 H new ATOM 0 HB3 ASP A 36 -4.870 -5.979 -13.607 1.00 12.11 H new ATOM 615 N GLU A 37 -4.514 -5.353 -10.651 1.00 73.04 N ATOM 616 CA GLU A 37 -4.471 -5.966 -9.314 1.00 62.02 C ATOM 617 C GLU A 37 -4.799 -4.917 -8.243 1.00 63.53 C ATOM 618 O GLU A 37 -5.611 -5.177 -7.361 1.00 62.12 O ATOM 619 CB GLU A 37 -3.096 -6.625 -9.038 1.00 24.32 C ATOM 620 CG GLU A 37 -2.777 -7.808 -9.964 1.00 41.13 C ATOM 621 CD GLU A 37 -1.402 -8.423 -9.692 1.00 43.42 C ATOM 622 OE1 GLU A 37 -0.406 -7.895 -10.218 1.00 35.44 O ATOM 623 OE2 GLU A 37 -1.309 -9.419 -8.940 1.00 55.22 O ATOM 0 H GLU A 37 -3.606 -5.300 -11.112 1.00 73.04 H new ATOM 0 HA GLU A 37 -5.223 -6.754 -9.276 1.00 62.02 H new ATOM 0 HB2 GLU A 37 -2.315 -5.872 -9.144 1.00 24.32 H new ATOM 0 HB3 GLU A 37 -3.069 -6.968 -8.004 1.00 24.32 H new ATOM 0 HG2 GLU A 37 -3.543 -8.574 -9.843 1.00 41.13 H new ATOM 0 HG3 GLU A 37 -2.821 -7.474 -11.001 1.00 41.13 H new ATOM 630 N LEU A 38 -4.206 -3.711 -8.384 1.00 53.13 N ATOM 631 CA LEU A 38 -4.409 -2.579 -7.443 1.00 22.32 C ATOM 632 C LEU A 38 -5.915 -2.241 -7.376 1.00 64.55 C ATOM 633 O LEU A 38 -6.487 -2.108 -6.286 1.00 41.22 O ATOM 634 CB LEU A 38 -3.536 -1.356 -7.910 1.00 62.13 C ATOM 635 CG LEU A 38 -3.229 -0.204 -6.875 1.00 2.35 C ATOM 636 CD1 LEU A 38 -4.417 0.745 -6.645 1.00 72.30 C ATOM 637 CD2 LEU A 38 -2.711 -0.774 -5.537 1.00 73.13 C ATOM 0 H LEU A 38 -3.572 -3.491 -9.153 1.00 53.13 H new ATOM 0 HA LEU A 38 -4.087 -2.845 -6.436 1.00 22.32 H new ATOM 0 HB2 LEU A 38 -2.581 -1.747 -8.262 1.00 62.13 H new ATOM 0 HB3 LEU A 38 -4.032 -0.905 -8.769 1.00 62.13 H new ATOM 0 HG LEU A 38 -2.440 0.398 -7.326 1.00 2.35 H new ATOM 0 HD11 LEU A 38 -4.136 1.512 -5.923 1.00 72.30 H new ATOM 0 HD12 LEU A 38 -4.693 1.218 -7.588 1.00 72.30 H new ATOM 0 HD13 LEU A 38 -5.266 0.179 -6.261 1.00 72.30 H new ATOM 0 HD21 LEU A 38 -2.509 0.045 -4.846 1.00 73.13 H new ATOM 0 HD22 LEU A 38 -3.464 -1.434 -5.107 1.00 73.13 H new ATOM 0 HD23 LEU A 38 -1.793 -1.336 -5.712 1.00 73.13 H new ATOM 649 N LYS A 39 -6.541 -2.191 -8.567 1.00 35.21 N ATOM 650 CA LYS A 39 -7.978 -1.927 -8.729 1.00 42.23 C ATOM 651 C LYS A 39 -8.838 -3.005 -8.040 1.00 60.21 C ATOM 652 O LYS A 39 -9.752 -2.663 -7.288 1.00 65.20 O ATOM 653 CB LYS A 39 -8.341 -1.841 -10.236 1.00 22.33 C ATOM 654 CG LYS A 39 -7.613 -0.712 -11.004 1.00 41.54 C ATOM 655 CD LYS A 39 -7.897 -0.735 -12.529 1.00 64.54 C ATOM 656 CE LYS A 39 -9.381 -0.512 -12.871 1.00 43.24 C ATOM 657 NZ LYS A 39 -9.630 -0.539 -14.343 1.00 51.14 N ATOM 0 H LYS A 39 -6.055 -2.335 -9.452 1.00 35.21 H new ATOM 0 HA LYS A 39 -8.193 -0.972 -8.249 1.00 42.23 H new ATOM 0 HB2 LYS A 39 -8.107 -2.795 -10.709 1.00 22.33 H new ATOM 0 HB3 LYS A 39 -9.417 -1.693 -10.331 1.00 22.33 H new ATOM 0 HG2 LYS A 39 -7.919 0.252 -10.598 1.00 41.54 H new ATOM 0 HG3 LYS A 39 -6.539 -0.801 -10.839 1.00 41.54 H new ATOM 0 HD2 LYS A 39 -7.299 0.035 -13.015 1.00 64.54 H new ATOM 0 HD3 LYS A 39 -7.576 -1.693 -12.938 1.00 64.54 H new ATOM 0 HE2 LYS A 39 -9.983 -1.282 -12.388 1.00 43.24 H new ATOM 0 HE3 LYS A 39 -9.705 0.447 -12.467 1.00 43.24 H new ATOM 0 HZ1 LYS A 39 -10.642 -0.385 -14.527 1.00 51.14 H new ATOM 0 HZ2 LYS A 39 -9.076 0.212 -14.803 1.00 51.14 H new ATOM 0 HZ3 LYS A 39 -9.346 -1.463 -14.726 1.00 51.14 H new ATOM 671 N LYS A 40 -8.524 -4.304 -8.283 1.00 52.11 N ATOM 672 CA LYS A 40 -9.343 -5.415 -7.750 1.00 2.23 C ATOM 673 C LYS A 40 -9.258 -5.497 -6.216 1.00 1.13 C ATOM 674 O LYS A 40 -10.216 -5.932 -5.573 1.00 24.03 O ATOM 675 CB LYS A 40 -8.987 -6.801 -8.372 1.00 52.40 C ATOM 676 CG LYS A 40 -7.680 -7.468 -7.854 1.00 22.51 C ATOM 677 CD LYS A 40 -7.644 -9.005 -8.025 1.00 44.11 C ATOM 678 CE LYS A 40 -8.800 -9.718 -7.281 1.00 11.33 C ATOM 679 NZ LYS A 40 -8.908 -9.310 -5.851 1.00 3.11 N ATOM 0 H LYS A 40 -7.721 -4.601 -8.837 1.00 52.11 H new ATOM 0 HA LYS A 40 -10.367 -5.182 -8.041 1.00 2.23 H new ATOM 0 HB2 LYS A 40 -9.817 -7.483 -8.188 1.00 52.40 H new ATOM 0 HB3 LYS A 40 -8.907 -6.682 -9.452 1.00 52.40 H new ATOM 0 HG2 LYS A 40 -6.830 -7.035 -8.381 1.00 22.51 H new ATOM 0 HG3 LYS A 40 -7.556 -7.228 -6.798 1.00 22.51 H new ATOM 0 HD2 LYS A 40 -7.695 -9.249 -9.086 1.00 44.11 H new ATOM 0 HD3 LYS A 40 -6.691 -9.385 -7.656 1.00 44.11 H new ATOM 0 HE2 LYS A 40 -9.740 -9.501 -7.788 1.00 11.33 H new ATOM 0 HE3 LYS A 40 -8.650 -10.796 -7.336 1.00 11.33 H new ATOM 0 HZ1 LYS A 40 -9.641 -9.879 -5.382 1.00 3.11 H new ATOM 0 HZ2 LYS A 40 -7.995 -9.463 -5.377 1.00 3.11 H new ATOM 0 HZ3 LYS A 40 -9.163 -8.303 -5.796 1.00 3.11 H new ATOM 693 N TYR A 41 -8.096 -5.103 -5.639 1.00 23.25 N ATOM 694 CA TYR A 41 -7.930 -5.047 -4.176 1.00 24.52 C ATOM 695 C TYR A 41 -8.835 -3.958 -3.601 1.00 25.43 C ATOM 696 O TYR A 41 -9.552 -4.203 -2.638 1.00 51.42 O ATOM 697 CB TYR A 41 -6.456 -4.794 -3.752 1.00 3.43 C ATOM 698 CG TYR A 41 -5.489 -5.937 -4.107 1.00 64.44 C ATOM 699 CD1 TYR A 41 -5.788 -7.259 -3.777 1.00 55.14 C ATOM 700 CD2 TYR A 41 -4.289 -5.694 -4.777 1.00 54.00 C ATOM 701 CE1 TYR A 41 -4.934 -8.288 -4.117 1.00 11.34 C ATOM 702 CE2 TYR A 41 -3.432 -6.725 -5.112 1.00 11.50 C ATOM 703 CZ TYR A 41 -3.758 -8.016 -4.785 1.00 4.31 C ATOM 704 OH TYR A 41 -2.925 -9.053 -5.151 1.00 72.34 O ATOM 0 H TYR A 41 -7.269 -4.822 -6.165 1.00 23.25 H new ATOM 0 HA TYR A 41 -8.213 -6.021 -3.776 1.00 24.52 H new ATOM 0 HB2 TYR A 41 -6.106 -3.877 -4.227 1.00 3.43 H new ATOM 0 HB3 TYR A 41 -6.424 -4.628 -2.675 1.00 3.43 H new ATOM 0 HD1 TYR A 41 -6.703 -7.481 -3.247 1.00 55.14 H new ATOM 0 HD2 TYR A 41 -4.025 -4.680 -5.039 1.00 54.00 H new ATOM 0 HE1 TYR A 41 -5.186 -9.306 -3.860 1.00 11.34 H new ATOM 0 HE2 TYR A 41 -2.508 -6.514 -5.630 1.00 11.50 H new ATOM 0 HH TYR A 41 -2.140 -8.694 -5.614 1.00 72.34 H new ATOM 714 N LEU A 42 -8.809 -2.769 -4.240 1.00 14.25 N ATOM 715 CA LEU A 42 -9.639 -1.616 -3.843 1.00 60.32 C ATOM 716 C LEU A 42 -11.152 -1.954 -3.873 1.00 61.31 C ATOM 717 O LEU A 42 -11.866 -1.648 -2.921 1.00 4.20 O ATOM 718 CB LEU A 42 -9.338 -0.388 -4.748 1.00 21.53 C ATOM 719 CG LEU A 42 -7.910 0.241 -4.631 1.00 61.54 C ATOM 720 CD1 LEU A 42 -7.769 1.459 -5.570 1.00 71.31 C ATOM 721 CD2 LEU A 42 -7.569 0.619 -3.172 1.00 33.51 C ATOM 0 H LEU A 42 -8.211 -2.583 -5.045 1.00 14.25 H new ATOM 0 HA LEU A 42 -9.379 -1.368 -2.814 1.00 60.32 H new ATOM 0 HB2 LEU A 42 -9.495 -0.684 -5.785 1.00 21.53 H new ATOM 0 HB3 LEU A 42 -10.070 0.387 -4.523 1.00 21.53 H new ATOM 0 HG LEU A 42 -7.190 -0.515 -4.944 1.00 61.54 H new ATOM 0 HD11 LEU A 42 -6.768 1.880 -5.472 1.00 71.31 H new ATOM 0 HD12 LEU A 42 -7.931 1.144 -6.601 1.00 71.31 H new ATOM 0 HD13 LEU A 42 -8.508 2.213 -5.301 1.00 71.31 H new ATOM 0 HD21 LEU A 42 -6.570 1.052 -3.133 1.00 33.51 H new ATOM 0 HD22 LEU A 42 -8.294 1.345 -2.805 1.00 33.51 H new ATOM 0 HD23 LEU A 42 -7.602 -0.274 -2.548 1.00 33.51 H new ATOM 733 N GLU A 43 -11.607 -2.615 -4.956 1.00 51.12 N ATOM 734 CA GLU A 43 -13.029 -3.018 -5.138 1.00 4.42 C ATOM 735 C GLU A 43 -13.483 -4.015 -4.058 1.00 14.32 C ATOM 736 O GLU A 43 -14.606 -3.938 -3.544 1.00 12.43 O ATOM 737 CB GLU A 43 -13.231 -3.620 -6.547 1.00 3.23 C ATOM 738 CG GLU A 43 -13.058 -2.596 -7.675 1.00 64.41 C ATOM 739 CD GLU A 43 -13.106 -3.215 -9.072 1.00 42.23 C ATOM 740 OE1 GLU A 43 -12.055 -3.684 -9.552 1.00 13.33 O ATOM 741 OE2 GLU A 43 -14.196 -3.245 -9.697 1.00 13.02 O ATOM 0 H GLU A 43 -11.005 -2.888 -5.733 1.00 51.12 H new ATOM 0 HA GLU A 43 -13.645 -2.125 -5.036 1.00 4.42 H new ATOM 0 HB2 GLU A 43 -12.520 -4.434 -6.692 1.00 3.23 H new ATOM 0 HB3 GLU A 43 -14.229 -4.054 -6.609 1.00 3.23 H new ATOM 0 HG2 GLU A 43 -13.840 -1.841 -7.593 1.00 64.41 H new ATOM 0 HG3 GLU A 43 -12.105 -2.083 -7.546 1.00 64.41 H new ATOM 748 N GLU A 44 -12.569 -4.926 -3.721 1.00 34.53 N ATOM 749 CA GLU A 44 -12.757 -5.941 -2.680 1.00 43.01 C ATOM 750 C GLU A 44 -12.843 -5.258 -1.295 1.00 33.24 C ATOM 751 O GLU A 44 -13.653 -5.641 -0.443 1.00 53.45 O ATOM 752 CB GLU A 44 -11.573 -6.934 -2.771 1.00 34.03 C ATOM 753 CG GLU A 44 -11.727 -8.237 -1.978 1.00 5.44 C ATOM 754 CD GLU A 44 -10.567 -9.204 -2.252 1.00 35.10 C ATOM 755 OE1 GLU A 44 -10.502 -9.763 -3.376 1.00 65.24 O ATOM 756 OE2 GLU A 44 -9.700 -9.386 -1.373 1.00 64.13 O ATOM 0 H GLU A 44 -11.657 -4.981 -4.174 1.00 34.53 H new ATOM 0 HA GLU A 44 -13.689 -6.489 -2.821 1.00 43.01 H new ATOM 0 HB2 GLU A 44 -11.416 -7.186 -3.820 1.00 34.03 H new ATOM 0 HB3 GLU A 44 -10.672 -6.427 -2.427 1.00 34.03 H new ATOM 0 HG2 GLU A 44 -11.770 -8.012 -0.912 1.00 5.44 H new ATOM 0 HG3 GLU A 44 -12.670 -8.715 -2.242 1.00 5.44 H new ATOM 763 N PHE A 45 -12.012 -4.217 -1.113 1.00 63.52 N ATOM 764 CA PHE A 45 -11.983 -3.382 0.105 1.00 2.12 C ATOM 765 C PHE A 45 -13.188 -2.424 0.197 1.00 72.50 C ATOM 766 O PHE A 45 -13.478 -1.908 1.273 1.00 41.32 O ATOM 767 CB PHE A 45 -10.654 -2.570 0.167 1.00 22.51 C ATOM 768 CG PHE A 45 -9.365 -3.399 0.303 1.00 11.42 C ATOM 769 CD1 PHE A 45 -9.379 -4.713 0.788 1.00 33.44 C ATOM 770 CD2 PHE A 45 -8.132 -2.854 -0.071 1.00 43.13 C ATOM 771 CE1 PHE A 45 -8.210 -5.445 0.888 1.00 31.42 C ATOM 772 CE2 PHE A 45 -6.969 -3.592 0.032 1.00 23.31 C ATOM 773 CZ PHE A 45 -7.007 -4.886 0.509 1.00 65.25 C ATOM 0 H PHE A 45 -11.332 -3.927 -1.816 1.00 63.52 H new ATOM 0 HA PHE A 45 -12.044 -4.059 0.957 1.00 2.12 H new ATOM 0 HB2 PHE A 45 -10.579 -1.963 -0.736 1.00 22.51 H new ATOM 0 HB3 PHE A 45 -10.711 -1.881 1.010 1.00 22.51 H new ATOM 0 HD1 PHE A 45 -10.315 -5.160 1.088 1.00 33.44 H new ATOM 0 HD2 PHE A 45 -8.089 -1.842 -0.446 1.00 43.13 H new ATOM 0 HE1 PHE A 45 -8.239 -6.457 1.264 1.00 31.42 H new ATOM 0 HE2 PHE A 45 -6.026 -3.154 -0.262 1.00 23.31 H new ATOM 0 HZ PHE A 45 -6.096 -5.461 0.586 1.00 65.25 H new ATOM 783 N ARG A 46 -13.865 -2.170 -0.938 1.00 24.54 N ATOM 784 CA ARG A 46 -15.095 -1.342 -0.978 1.00 35.42 C ATOM 785 C ARG A 46 -16.285 -2.102 -0.366 1.00 61.54 C ATOM 786 O ARG A 46 -17.139 -1.504 0.301 1.00 73.34 O ATOM 787 CB ARG A 46 -15.401 -0.892 -2.432 1.00 73.33 C ATOM 788 CG ARG A 46 -14.459 0.217 -2.951 1.00 72.04 C ATOM 789 CD ARG A 46 -14.556 0.443 -4.470 1.00 52.24 C ATOM 790 NE ARG A 46 -15.935 0.668 -4.930 1.00 32.44 N ATOM 791 CZ ARG A 46 -16.318 0.753 -6.215 1.00 22.22 C ATOM 792 NH1 ARG A 46 -15.429 0.649 -7.209 1.00 23.11 N ATOM 793 NH2 ARG A 46 -17.604 0.909 -6.501 1.00 62.21 N ATOM 0 H ARG A 46 -13.581 -2.528 -1.850 1.00 24.54 H new ATOM 0 HA ARG A 46 -14.929 -0.448 -0.377 1.00 35.42 H new ATOM 0 HB2 ARG A 46 -15.329 -1.756 -3.093 1.00 73.33 H new ATOM 0 HB3 ARG A 46 -16.430 -0.536 -2.484 1.00 73.33 H new ATOM 0 HG2 ARG A 46 -14.691 1.150 -2.437 1.00 72.04 H new ATOM 0 HG3 ARG A 46 -13.431 -0.041 -2.695 1.00 72.04 H new ATOM 0 HD2 ARG A 46 -13.943 1.301 -4.744 1.00 52.24 H new ATOM 0 HD3 ARG A 46 -14.143 -0.422 -4.988 1.00 52.24 H new ATOM 0 HE ARG A 46 -16.658 0.767 -4.217 1.00 32.44 H new ATOM 0 HH11 ARG A 46 -14.442 0.503 -6.997 1.00 23.11 H new ATOM 0 HH12 ARG A 46 -15.738 0.716 -8.179 1.00 23.11 H new ATOM 0 HH21 ARG A 46 -18.291 0.963 -5.749 1.00 62.21 H new ATOM 0 HH22 ARG A 46 -17.906 0.975 -7.473 1.00 62.21 H new ATOM 807 N LYS A 47 -16.288 -3.438 -0.559 1.00 12.03 N ATOM 808 CA LYS A 47 -17.297 -4.351 0.033 1.00 43.34 C ATOM 809 C LYS A 47 -17.266 -4.269 1.574 1.00 43.32 C ATOM 810 O LYS A 47 -18.278 -4.485 2.244 1.00 62.32 O ATOM 811 CB LYS A 47 -17.022 -5.810 -0.412 1.00 44.04 C ATOM 812 CG LYS A 47 -16.951 -6.017 -1.937 1.00 1.14 C ATOM 813 CD LYS A 47 -16.611 -7.477 -2.313 1.00 63.11 C ATOM 814 CE LYS A 47 -16.451 -7.679 -3.824 1.00 64.04 C ATOM 815 NZ LYS A 47 -17.677 -7.302 -4.581 1.00 10.20 N ATOM 0 H LYS A 47 -15.592 -3.917 -1.130 1.00 12.03 H new ATOM 0 HA LYS A 47 -18.282 -4.044 -0.318 1.00 43.34 H new ATOM 0 HB2 LYS A 47 -16.081 -6.139 0.029 1.00 44.04 H new ATOM 0 HB3 LYS A 47 -17.805 -6.452 -0.008 1.00 44.04 H new ATOM 0 HG2 LYS A 47 -17.906 -5.742 -2.384 1.00 1.14 H new ATOM 0 HG3 LYS A 47 -16.198 -5.351 -2.358 1.00 1.14 H new ATOM 0 HD2 LYS A 47 -15.689 -7.771 -1.812 1.00 63.11 H new ATOM 0 HD3 LYS A 47 -17.398 -8.135 -1.944 1.00 63.11 H new ATOM 0 HE2 LYS A 47 -15.610 -7.084 -4.180 1.00 64.04 H new ATOM 0 HE3 LYS A 47 -16.210 -8.723 -4.025 1.00 64.04 H new ATOM 0 HZ1 LYS A 47 -17.550 -7.535 -5.586 1.00 10.20 H new ATOM 0 HZ2 LYS A 47 -18.492 -7.826 -4.204 1.00 10.20 H new ATOM 0 HZ3 LYS A 47 -17.846 -6.281 -4.482 1.00 10.20 H new ATOM 829 N GLU A 48 -16.076 -3.944 2.103 1.00 71.44 N ATOM 830 CA GLU A 48 -15.819 -3.803 3.544 1.00 50.00 C ATOM 831 C GLU A 48 -15.166 -2.439 3.824 1.00 32.43 C ATOM 832 O GLU A 48 -14.288 -2.310 4.682 1.00 30.44 O ATOM 833 CB GLU A 48 -14.942 -4.993 4.018 1.00 31.40 C ATOM 834 CG GLU A 48 -13.595 -5.141 3.275 1.00 64.02 C ATOM 835 CD GLU A 48 -12.828 -6.398 3.696 1.00 51.45 C ATOM 836 OE1 GLU A 48 -12.239 -6.399 4.788 1.00 51.22 O ATOM 837 OE2 GLU A 48 -12.844 -7.406 2.955 1.00 33.32 O ATOM 0 H GLU A 48 -15.250 -3.769 1.530 1.00 71.44 H new ATOM 0 HA GLU A 48 -16.751 -3.831 4.108 1.00 50.00 H new ATOM 0 HB2 GLU A 48 -14.743 -4.877 5.083 1.00 31.40 H new ATOM 0 HB3 GLU A 48 -15.510 -5.915 3.898 1.00 31.40 H new ATOM 0 HG2 GLU A 48 -13.778 -5.174 2.201 1.00 64.02 H new ATOM 0 HG3 GLU A 48 -12.979 -4.262 3.467 1.00 64.02 H new ATOM 844 N SER A 49 -15.662 -1.394 3.122 1.00 2.21 N ATOM 845 CA SER A 49 -15.224 0.008 3.327 1.00 4.20 C ATOM 846 C SER A 49 -15.644 0.575 4.712 1.00 33.15 C ATOM 847 O SER A 49 -15.360 1.745 5.014 1.00 41.42 O ATOM 848 CB SER A 49 -15.763 0.891 2.182 1.00 3.42 C ATOM 849 OG SER A 49 -17.183 0.820 2.091 1.00 21.22 O ATOM 0 H SER A 49 -16.375 -1.497 2.400 1.00 2.21 H new ATOM 0 HA SER A 49 -14.134 0.018 3.314 1.00 4.20 H new ATOM 0 HB2 SER A 49 -15.459 1.925 2.345 1.00 3.42 H new ATOM 0 HB3 SER A 49 -15.321 0.574 1.238 1.00 3.42 H new ATOM 0 HG SER A 49 -17.436 0.084 1.495 1.00 21.22 H new ATOM 855 N GLN A 50 -16.328 -0.265 5.513 1.00 24.44 N ATOM 856 CA GLN A 50 -16.711 0.006 6.905 1.00 4.01 C ATOM 857 C GLN A 50 -15.492 0.389 7.795 1.00 63.35 C ATOM 858 O GLN A 50 -14.839 -0.470 8.407 1.00 4.12 O ATOM 859 CB GLN A 50 -17.499 -1.224 7.456 1.00 54.43 C ATOM 860 CG GLN A 50 -16.766 -2.585 7.362 1.00 65.00 C ATOM 861 CD GLN A 50 -17.639 -3.775 7.765 1.00 1.42 C ATOM 862 OE1 GLN A 50 -18.309 -4.380 6.929 1.00 53.45 O ATOM 863 NE2 GLN A 50 -17.683 -4.093 9.049 1.00 15.01 N ATOM 0 H GLN A 50 -16.638 -1.183 5.193 1.00 24.44 H new ATOM 0 HA GLN A 50 -17.360 0.881 6.933 1.00 4.01 H new ATOM 0 HB2 GLN A 50 -17.746 -1.036 8.501 1.00 54.43 H new ATOM 0 HB3 GLN A 50 -18.442 -1.301 6.914 1.00 54.43 H new ATOM 0 HG2 GLN A 50 -16.416 -2.731 6.340 1.00 65.00 H new ATOM 0 HG3 GLN A 50 -15.883 -2.559 8.001 1.00 65.00 H new ATOM 0 HE21 GLN A 50 -17.118 -3.576 9.722 1.00 15.01 H new ATOM 0 HE22 GLN A 50 -18.282 -4.855 9.365 1.00 15.01 H new ATOM 872 N ASN A 51 -15.182 1.708 7.801 1.00 63.11 N ATOM 873 CA ASN A 51 -14.056 2.301 8.557 1.00 41.42 C ATOM 874 C ASN A 51 -12.716 1.665 8.130 1.00 23.30 C ATOM 875 O ASN A 51 -12.080 0.936 8.899 1.00 41.11 O ATOM 876 CB ASN A 51 -14.277 2.205 10.104 1.00 41.25 C ATOM 877 CG ASN A 51 -15.406 3.091 10.656 1.00 65.51 C ATOM 878 OD1 ASN A 51 -16.501 3.257 9.917 1.00 1.22 O flip ATOM 879 ND2 ASN A 51 -15.300 3.612 11.771 1.00 71.03 N flip ATOM 0 H ASN A 51 -15.716 2.398 7.273 1.00 63.11 H new ATOM 0 HA ASN A 51 -14.015 3.363 8.313 1.00 41.42 H new ATOM 0 HB2 ASN A 51 -14.491 1.168 10.361 1.00 41.25 H new ATOM 0 HB3 ASN A 51 -13.347 2.473 10.606 1.00 41.25 H new ATOM 0 HD21 ASN A 51 -14.452 3.472 12.321 1.00 71.03 H new ATOM 0 HD22 ASN A 51 -16.060 4.182 12.142 1.00 71.03 H new ATOM 886 N ILE A 52 -12.311 1.925 6.880 1.00 12.31 N ATOM 887 CA ILE A 52 -11.118 1.294 6.278 1.00 1.21 C ATOM 888 C ILE A 52 -10.046 2.347 5.930 1.00 72.33 C ATOM 889 O ILE A 52 -10.353 3.517 5.651 1.00 73.23 O ATOM 890 CB ILE A 52 -11.512 0.444 4.999 1.00 24.25 C ATOM 891 CG1 ILE A 52 -10.380 -0.559 4.607 1.00 21.14 C ATOM 892 CG2 ILE A 52 -11.884 1.344 3.794 1.00 5.33 C ATOM 893 CD1 ILE A 52 -10.792 -1.593 3.575 1.00 23.53 C ATOM 0 H ILE A 52 -12.794 2.573 6.257 1.00 12.31 H new ATOM 0 HA ILE A 52 -10.691 0.616 7.017 1.00 1.21 H new ATOM 0 HB ILE A 52 -12.398 -0.131 5.267 1.00 24.25 H new ATOM 0 HG12 ILE A 52 -9.530 0.003 4.221 1.00 21.14 H new ATOM 0 HG13 ILE A 52 -10.040 -1.075 5.505 1.00 21.14 H new ATOM 0 HG21 ILE A 52 -12.147 0.719 2.941 1.00 5.33 H new ATOM 0 HG22 ILE A 52 -12.734 1.973 4.058 1.00 5.33 H new ATOM 0 HG23 ILE A 52 -11.033 1.974 3.534 1.00 5.33 H new ATOM 0 HD11 ILE A 52 -9.948 -2.249 3.360 1.00 23.53 H new ATOM 0 HD12 ILE A 52 -11.621 -2.184 3.963 1.00 23.53 H new ATOM 0 HD13 ILE A 52 -11.103 -1.090 2.660 1.00 23.53 H new ATOM 905 N LYS A 53 -8.786 1.908 5.989 1.00 44.30 N ATOM 906 CA LYS A 53 -7.610 2.661 5.554 1.00 40.35 C ATOM 907 C LYS A 53 -6.760 1.744 4.670 1.00 5.35 C ATOM 908 O LYS A 53 -6.545 0.571 4.998 1.00 41.14 O ATOM 909 CB LYS A 53 -6.767 3.148 6.769 1.00 73.40 C ATOM 910 CG LYS A 53 -7.077 4.566 7.289 1.00 0.12 C ATOM 911 CD LYS A 53 -6.001 5.047 8.295 1.00 25.44 C ATOM 912 CE LYS A 53 -6.132 6.527 8.649 1.00 24.22 C ATOM 913 NZ LYS A 53 -7.351 6.803 9.444 1.00 22.32 N ATOM 0 H LYS A 53 -8.550 0.985 6.354 1.00 44.30 H new ATOM 0 HA LYS A 53 -7.932 3.544 5.002 1.00 40.35 H new ATOM 0 HB2 LYS A 53 -6.909 2.444 7.589 1.00 73.40 H new ATOM 0 HB3 LYS A 53 -5.713 3.107 6.493 1.00 73.40 H new ATOM 0 HG2 LYS A 53 -7.129 5.260 6.450 1.00 0.12 H new ATOM 0 HG3 LYS A 53 -8.055 4.573 7.769 1.00 0.12 H new ATOM 0 HD2 LYS A 53 -6.073 4.454 9.206 1.00 25.44 H new ATOM 0 HD3 LYS A 53 -5.012 4.866 7.874 1.00 25.44 H new ATOM 0 HE2 LYS A 53 -5.254 6.844 9.211 1.00 24.22 H new ATOM 0 HE3 LYS A 53 -6.155 7.118 7.733 1.00 24.22 H new ATOM 0 HZ1 LYS A 53 -7.401 7.819 9.662 1.00 22.32 H new ATOM 0 HZ2 LYS A 53 -8.192 6.525 8.899 1.00 22.32 H new ATOM 0 HZ3 LYS A 53 -7.318 6.260 10.330 1.00 22.32 H new ATOM 927 N VAL A 54 -6.295 2.284 3.540 1.00 62.31 N ATOM 928 CA VAL A 54 -5.353 1.600 2.640 1.00 10.43 C ATOM 929 C VAL A 54 -4.035 2.410 2.559 1.00 52.31 C ATOM 930 O VAL A 54 -4.065 3.618 2.359 1.00 22.22 O ATOM 931 CB VAL A 54 -5.991 1.420 1.211 1.00 34.12 C ATOM 932 CG1 VAL A 54 -5.020 0.728 0.241 1.00 13.34 C ATOM 933 CG2 VAL A 54 -7.342 0.657 1.288 1.00 73.30 C ATOM 0 H VAL A 54 -6.562 3.215 3.219 1.00 62.31 H new ATOM 0 HA VAL A 54 -5.132 0.608 3.035 1.00 10.43 H new ATOM 0 HB VAL A 54 -6.192 2.417 0.819 1.00 34.12 H new ATOM 0 HG11 VAL A 54 -5.495 0.621 -0.734 1.00 13.34 H new ATOM 0 HG12 VAL A 54 -4.116 1.329 0.141 1.00 13.34 H new ATOM 0 HG13 VAL A 54 -4.760 -0.257 0.628 1.00 13.34 H new ATOM 0 HG21 VAL A 54 -7.757 0.549 0.286 1.00 73.30 H new ATOM 0 HG22 VAL A 54 -7.178 -0.330 1.721 1.00 73.30 H new ATOM 0 HG23 VAL A 54 -8.040 1.216 1.911 1.00 73.30 H new ATOM 943 N LEU A 55 -2.888 1.736 2.760 1.00 1.01 N ATOM 944 CA LEU A 55 -1.547 2.346 2.683 1.00 64.11 C ATOM 945 C LEU A 55 -0.841 1.823 1.431 1.00 14.41 C ATOM 946 O LEU A 55 -0.373 0.681 1.421 1.00 34.11 O ATOM 947 CB LEU A 55 -0.712 1.979 3.940 1.00 3.22 C ATOM 948 CG LEU A 55 0.686 2.678 4.073 1.00 43.21 C ATOM 949 CD1 LEU A 55 0.545 4.168 4.431 1.00 63.55 C ATOM 950 CD2 LEU A 55 1.600 1.935 5.071 1.00 22.12 C ATOM 0 H LEU A 55 -2.866 0.741 2.983 1.00 1.01 H new ATOM 0 HA LEU A 55 -1.646 3.431 2.636 1.00 64.11 H new ATOM 0 HB2 LEU A 55 -1.301 2.221 4.825 1.00 3.22 H new ATOM 0 HB3 LEU A 55 -0.557 0.900 3.945 1.00 3.22 H new ATOM 0 HG LEU A 55 1.167 2.627 3.096 1.00 43.21 H new ATOM 0 HD11 LEU A 55 1.535 4.617 4.514 1.00 63.55 H new ATOM 0 HD12 LEU A 55 -0.020 4.678 3.651 1.00 63.55 H new ATOM 0 HD13 LEU A 55 0.021 4.266 5.382 1.00 63.55 H new ATOM 0 HD21 LEU A 55 2.559 2.448 5.137 1.00 22.12 H new ATOM 0 HD22 LEU A 55 1.129 1.919 6.054 1.00 22.12 H new ATOM 0 HD23 LEU A 55 1.758 0.913 4.728 1.00 22.12 H new ATOM 962 N ILE A 56 -0.769 2.636 0.370 1.00 42.34 N ATOM 963 CA ILE A 56 -0.160 2.201 -0.895 1.00 72.40 C ATOM 964 C ILE A 56 1.302 2.693 -0.972 1.00 71.22 C ATOM 965 O ILE A 56 1.544 3.888 -1.139 1.00 20.04 O ATOM 966 CB ILE A 56 -0.988 2.664 -2.162 1.00 4.43 C ATOM 967 CG1 ILE A 56 -2.463 2.154 -2.070 1.00 74.22 C ATOM 968 CG2 ILE A 56 -0.317 2.159 -3.462 1.00 65.31 C ATOM 969 CD1 ILE A 56 -3.367 2.535 -3.236 1.00 24.43 C ATOM 0 H ILE A 56 -1.122 3.593 0.361 1.00 42.34 H new ATOM 0 HA ILE A 56 -0.171 1.111 -0.907 1.00 72.40 H new ATOM 0 HB ILE A 56 -1.003 3.754 -2.184 1.00 4.43 H new ATOM 0 HG12 ILE A 56 -2.448 1.067 -1.986 1.00 74.22 H new ATOM 0 HG13 ILE A 56 -2.905 2.539 -1.151 1.00 74.22 H new ATOM 0 HG21 ILE A 56 -0.900 2.486 -4.323 1.00 65.31 H new ATOM 0 HG22 ILE A 56 0.692 2.564 -3.532 1.00 65.31 H new ATOM 0 HG23 ILE A 56 -0.271 1.070 -3.448 1.00 65.31 H new ATOM 0 HD11 ILE A 56 -4.365 2.131 -3.070 1.00 24.43 H new ATOM 0 HD12 ILE A 56 -3.423 3.621 -3.313 1.00 24.43 H new ATOM 0 HD13 ILE A 56 -2.960 2.126 -4.161 1.00 24.43 H new ATOM 981 N LEU A 57 2.273 1.757 -0.826 1.00 61.44 N ATOM 982 CA LEU A 57 3.719 2.069 -0.927 1.00 64.05 C ATOM 983 C LEU A 57 4.124 1.867 -2.387 1.00 40.34 C ATOM 984 O LEU A 57 4.134 0.735 -2.870 1.00 71.11 O ATOM 985 CB LEU A 57 4.608 1.139 -0.030 1.00 13.45 C ATOM 986 CG LEU A 57 4.468 1.246 1.526 1.00 13.32 C ATOM 987 CD1 LEU A 57 4.705 2.678 2.034 1.00 33.33 C ATOM 988 CD2 LEU A 57 3.126 0.689 2.014 1.00 40.34 C ATOM 0 H LEU A 57 2.077 0.774 -0.637 1.00 61.44 H new ATOM 0 HA LEU A 57 3.876 3.091 -0.583 1.00 64.05 H new ATOM 0 HB2 LEU A 57 4.398 0.107 -0.312 1.00 13.45 H new ATOM 0 HB3 LEU A 57 5.650 1.332 -0.283 1.00 13.45 H new ATOM 0 HG LEU A 57 5.254 0.625 1.955 1.00 13.32 H new ATOM 0 HD11 LEU A 57 4.597 2.702 3.118 1.00 33.33 H new ATOM 0 HD12 LEU A 57 5.711 2.999 1.762 1.00 33.33 H new ATOM 0 HD13 LEU A 57 3.975 3.350 1.582 1.00 33.33 H new ATOM 0 HD21 LEU A 57 3.067 0.781 3.098 1.00 40.34 H new ATOM 0 HD22 LEU A 57 2.311 1.251 1.557 1.00 40.34 H new ATOM 0 HD23 LEU A 57 3.045 -0.361 1.734 1.00 40.34 H new ATOM 1000 N VAL A 58 4.468 2.947 -3.073 1.00 75.31 N ATOM 1001 CA VAL A 58 4.833 2.910 -4.494 1.00 4.24 C ATOM 1002 C VAL A 58 6.339 3.163 -4.646 1.00 3.23 C ATOM 1003 O VAL A 58 6.951 3.783 -3.779 1.00 30.24 O ATOM 1004 CB VAL A 58 4.016 3.968 -5.305 1.00 15.33 C ATOM 1005 CG1 VAL A 58 2.496 3.728 -5.180 1.00 45.14 C ATOM 1006 CG2 VAL A 58 4.387 5.403 -4.904 1.00 52.13 C ATOM 0 H VAL A 58 4.504 3.881 -2.664 1.00 75.31 H new ATOM 0 HA VAL A 58 4.594 1.924 -4.893 1.00 4.24 H new ATOM 0 HB VAL A 58 4.285 3.843 -6.354 1.00 15.33 H new ATOM 0 HG11 VAL A 58 1.960 4.482 -5.756 1.00 45.14 H new ATOM 0 HG12 VAL A 58 2.251 2.737 -5.563 1.00 45.14 H new ATOM 0 HG13 VAL A 58 2.202 3.795 -4.133 1.00 45.14 H new ATOM 0 HG21 VAL A 58 3.798 6.108 -5.490 1.00 52.13 H new ATOM 0 HG22 VAL A 58 4.180 5.550 -3.844 1.00 52.13 H new ATOM 0 HG23 VAL A 58 5.447 5.571 -5.093 1.00 52.13 H new ATOM 1016 N SER A 59 6.927 2.686 -5.750 1.00 31.01 N ATOM 1017 CA SER A 59 8.374 2.817 -6.003 1.00 64.34 C ATOM 1018 C SER A 59 8.734 4.223 -6.535 1.00 73.41 C ATOM 1019 O SER A 59 9.772 4.789 -6.165 1.00 71.52 O ATOM 1020 CB SER A 59 8.831 1.720 -6.988 1.00 35.14 C ATOM 1021 OG SER A 59 10.234 1.757 -7.232 1.00 4.33 O ATOM 0 H SER A 59 6.420 2.201 -6.491 1.00 31.01 H new ATOM 0 HA SER A 59 8.901 2.689 -5.058 1.00 64.34 H new ATOM 0 HB2 SER A 59 8.560 0.742 -6.589 1.00 35.14 H new ATOM 0 HB3 SER A 59 8.298 1.838 -7.931 1.00 35.14 H new ATOM 0 HG SER A 59 10.476 1.044 -7.860 1.00 4.33 H new ATOM 1027 N ASN A 60 7.875 4.778 -7.410 1.00 63.11 N ATOM 1028 CA ASN A 60 8.136 6.071 -8.099 1.00 52.43 C ATOM 1029 C ASN A 60 6.912 6.994 -8.005 1.00 32.41 C ATOM 1030 O ASN A 60 5.816 6.555 -7.642 1.00 14.50 O ATOM 1031 CB ASN A 60 8.493 5.837 -9.600 1.00 22.21 C ATOM 1032 CG ASN A 60 9.697 4.915 -9.815 1.00 71.12 C ATOM 1033 OD1 ASN A 60 10.845 5.365 -9.881 1.00 74.42 O ATOM 1034 ND2 ASN A 60 9.442 3.619 -9.937 1.00 22.24 N ATOM 0 H ASN A 60 6.984 4.352 -7.663 1.00 63.11 H new ATOM 0 HA ASN A 60 8.981 6.546 -7.601 1.00 52.43 H new ATOM 0 HB2 ASN A 60 7.627 5.412 -10.107 1.00 22.21 H new ATOM 0 HB3 ASN A 60 8.696 6.800 -10.069 1.00 22.21 H new ATOM 0 HD21 ASN A 60 10.206 2.961 -10.090 1.00 22.24 H new ATOM 0 HD22 ASN A 60 8.482 3.280 -9.877 1.00 22.24 H new ATOM 1041 N ASP A 61 7.121 8.277 -8.371 1.00 50.11 N ATOM 1042 CA ASP A 61 6.053 9.306 -8.397 1.00 32.12 C ATOM 1043 C ASP A 61 4.988 9.011 -9.484 1.00 32.30 C ATOM 1044 O ASP A 61 3.864 9.514 -9.405 1.00 31.50 O ATOM 1045 CB ASP A 61 6.640 10.732 -8.584 1.00 2.12 C ATOM 1046 CG ASP A 61 7.321 10.944 -9.947 1.00 20.55 C ATOM 1047 OD1 ASP A 61 8.490 10.525 -10.104 1.00 35.02 O ATOM 1048 OD2 ASP A 61 6.690 11.516 -10.865 1.00 3.31 O ATOM 0 H ASP A 61 8.034 8.631 -8.657 1.00 50.11 H new ATOM 0 HA ASP A 61 5.557 9.265 -7.427 1.00 32.12 H new ATOM 0 HB2 ASP A 61 5.840 11.463 -8.470 1.00 2.12 H new ATOM 0 HB3 ASP A 61 7.364 10.925 -7.792 1.00 2.12 H new ATOM 1053 N GLU A 62 5.374 8.228 -10.505 1.00 31.14 N ATOM 1054 CA GLU A 62 4.474 7.807 -11.595 1.00 62.10 C ATOM 1055 C GLU A 62 3.331 6.897 -11.069 1.00 22.20 C ATOM 1056 O GLU A 62 2.146 7.173 -11.305 1.00 71.14 O ATOM 1057 CB GLU A 62 5.308 7.081 -12.679 1.00 71.21 C ATOM 1058 CG GLU A 62 4.526 6.725 -13.955 1.00 31.34 C ATOM 1059 CD GLU A 62 5.392 6.017 -14.998 1.00 45.20 C ATOM 1060 OE1 GLU A 62 6.157 6.698 -15.709 1.00 44.51 O ATOM 1061 OE2 GLU A 62 5.336 4.775 -15.095 1.00 52.54 O ATOM 0 H GLU A 62 6.323 7.867 -10.599 1.00 31.14 H new ATOM 0 HA GLU A 62 4.001 8.689 -12.028 1.00 62.10 H new ATOM 0 HB2 GLU A 62 6.154 7.712 -12.951 1.00 71.21 H new ATOM 0 HB3 GLU A 62 5.717 6.166 -12.252 1.00 71.21 H new ATOM 0 HG2 GLU A 62 3.683 6.085 -13.693 1.00 31.34 H new ATOM 0 HG3 GLU A 62 4.113 7.635 -14.389 1.00 31.34 H new ATOM 1068 N GLU A 63 3.707 5.823 -10.339 1.00 62.22 N ATOM 1069 CA GLU A 63 2.738 4.909 -9.682 1.00 52.14 C ATOM 1070 C GLU A 63 2.080 5.579 -8.464 1.00 14.30 C ATOM 1071 O GLU A 63 1.003 5.153 -8.049 1.00 64.23 O ATOM 1072 CB GLU A 63 3.333 3.513 -9.311 1.00 60.05 C ATOM 1073 CG GLU A 63 4.760 3.503 -8.717 1.00 44.32 C ATOM 1074 CD GLU A 63 5.869 3.223 -9.741 1.00 21.43 C ATOM 1075 OE1 GLU A 63 5.983 3.979 -10.726 1.00 3.34 O ATOM 1076 OE2 GLU A 63 6.639 2.263 -9.555 1.00 31.11 O ATOM 0 H GLU A 63 4.682 5.564 -10.188 1.00 62.22 H new ATOM 0 HA GLU A 63 1.969 4.709 -10.428 1.00 52.14 H new ATOM 0 HB2 GLU A 63 2.663 3.037 -8.595 1.00 60.05 H new ATOM 0 HB3 GLU A 63 3.333 2.894 -10.208 1.00 60.05 H new ATOM 0 HG2 GLU A 63 4.952 4.467 -8.246 1.00 44.32 H new ATOM 0 HG3 GLU A 63 4.808 2.749 -7.931 1.00 44.32 H new ATOM 1083 N LEU A 64 2.770 6.568 -7.853 1.00 5.32 N ATOM 1084 CA LEU A 64 2.170 7.457 -6.827 1.00 64.52 C ATOM 1085 C LEU A 64 0.911 8.130 -7.386 1.00 11.23 C ATOM 1086 O LEU A 64 -0.155 8.071 -6.774 1.00 24.31 O ATOM 1087 CB LEU A 64 3.204 8.531 -6.390 1.00 2.41 C ATOM 1088 CG LEU A 64 2.779 9.535 -5.270 1.00 54.40 C ATOM 1089 CD1 LEU A 64 2.544 8.820 -3.929 1.00 11.42 C ATOM 1090 CD2 LEU A 64 3.813 10.675 -5.117 1.00 74.22 C ATOM 0 H LEU A 64 3.749 6.773 -8.053 1.00 5.32 H new ATOM 0 HA LEU A 64 1.891 6.861 -5.958 1.00 64.52 H new ATOM 0 HB2 LEU A 64 4.103 8.014 -6.054 1.00 2.41 H new ATOM 0 HB3 LEU A 64 3.480 9.109 -7.272 1.00 2.41 H new ATOM 0 HG LEU A 64 1.832 9.980 -5.576 1.00 54.40 H new ATOM 0 HD11 LEU A 64 2.250 9.549 -3.174 1.00 11.42 H new ATOM 0 HD12 LEU A 64 1.753 8.079 -4.045 1.00 11.42 H new ATOM 0 HD13 LEU A 64 3.462 8.324 -3.615 1.00 11.42 H new ATOM 0 HD21 LEU A 64 3.489 11.357 -4.331 1.00 74.22 H new ATOM 0 HD22 LEU A 64 4.783 10.253 -4.855 1.00 74.22 H new ATOM 0 HD23 LEU A 64 3.896 11.219 -6.058 1.00 74.22 H new ATOM 1102 N ASP A 65 1.056 8.722 -8.590 1.00 71.30 N ATOM 1103 CA ASP A 65 -0.039 9.397 -9.298 1.00 23.11 C ATOM 1104 C ASP A 65 -1.131 8.403 -9.706 1.00 14.54 C ATOM 1105 O ASP A 65 -2.324 8.696 -9.578 1.00 44.11 O ATOM 1106 CB ASP A 65 0.495 10.148 -10.542 1.00 72.12 C ATOM 1107 CG ASP A 65 -0.618 10.923 -11.266 1.00 21.30 C ATOM 1108 OD1 ASP A 65 -1.087 11.945 -10.708 1.00 65.34 O ATOM 1109 OD2 ASP A 65 -1.051 10.505 -12.365 1.00 2.21 O ATOM 0 H ASP A 65 1.942 8.742 -9.096 1.00 71.30 H new ATOM 0 HA ASP A 65 -0.479 10.123 -8.614 1.00 23.11 H new ATOM 0 HB2 ASP A 65 1.281 10.840 -10.239 1.00 72.12 H new ATOM 0 HB3 ASP A 65 0.947 9.434 -11.231 1.00 72.12 H new ATOM 1114 N LYS A 66 -0.685 7.221 -10.153 1.00 51.31 N ATOM 1115 CA LYS A 66 -1.557 6.128 -10.600 1.00 41.14 C ATOM 1116 C LYS A 66 -2.483 5.675 -9.458 1.00 12.01 C ATOM 1117 O LYS A 66 -3.702 5.587 -9.627 1.00 41.21 O ATOM 1118 CB LYS A 66 -0.686 4.939 -11.076 1.00 62.43 C ATOM 1119 CG LYS A 66 -1.459 3.768 -11.714 1.00 1.43 C ATOM 1120 CD LYS A 66 -2.118 4.153 -13.057 1.00 61.54 C ATOM 1121 CE LYS A 66 -2.844 2.977 -13.710 1.00 33.54 C ATOM 1122 NZ LYS A 66 -3.242 3.277 -15.108 1.00 2.00 N ATOM 0 H LYS A 66 0.308 6.995 -10.215 1.00 51.31 H new ATOM 0 HA LYS A 66 -2.175 6.482 -11.425 1.00 41.14 H new ATOM 0 HB2 LYS A 66 0.041 5.309 -11.799 1.00 62.43 H new ATOM 0 HB3 LYS A 66 -0.123 4.559 -10.224 1.00 62.43 H new ATOM 0 HG2 LYS A 66 -0.778 2.932 -11.874 1.00 1.43 H new ATOM 0 HG3 LYS A 66 -2.228 3.425 -11.022 1.00 1.43 H new ATOM 0 HD2 LYS A 66 -2.825 4.966 -12.891 1.00 61.54 H new ATOM 0 HD3 LYS A 66 -1.355 4.528 -13.738 1.00 61.54 H new ATOM 0 HE2 LYS A 66 -2.197 2.100 -13.697 1.00 33.54 H new ATOM 0 HE3 LYS A 66 -3.730 2.728 -13.126 1.00 33.54 H new ATOM 0 HZ1 LYS A 66 -3.989 2.617 -15.406 1.00 2.00 H new ATOM 0 HZ2 LYS A 66 -3.599 4.252 -15.166 1.00 2.00 H new ATOM 0 HZ3 LYS A 66 -2.418 3.172 -15.734 1.00 2.00 H new ATOM 1136 N ALA A 67 -1.874 5.426 -8.291 1.00 15.23 N ATOM 1137 CA ALA A 67 -2.566 4.915 -7.108 1.00 23.13 C ATOM 1138 C ALA A 67 -3.505 5.963 -6.498 1.00 61.00 C ATOM 1139 O ALA A 67 -4.560 5.603 -5.976 1.00 23.35 O ATOM 1140 CB ALA A 67 -1.533 4.441 -6.090 1.00 61.44 C ATOM 0 H ALA A 67 -0.876 5.577 -8.144 1.00 15.23 H new ATOM 0 HA ALA A 67 -3.192 4.074 -7.406 1.00 23.13 H new ATOM 0 HB1 ALA A 67 -2.043 4.059 -5.206 1.00 61.44 H new ATOM 0 HB2 ALA A 67 -0.926 3.650 -6.529 1.00 61.44 H new ATOM 0 HB3 ALA A 67 -0.892 5.276 -5.807 1.00 61.44 H new ATOM 1146 N LYS A 68 -3.112 7.263 -6.578 1.00 61.30 N ATOM 1147 CA LYS A 68 -3.977 8.388 -6.153 1.00 21.13 C ATOM 1148 C LYS A 68 -5.244 8.437 -7.028 1.00 41.35 C ATOM 1149 O LYS A 68 -6.353 8.547 -6.508 1.00 72.34 O ATOM 1150 CB LYS A 68 -3.226 9.757 -6.225 1.00 45.33 C ATOM 1151 CG LYS A 68 -2.094 9.949 -5.183 1.00 53.53 C ATOM 1152 CD LYS A 68 -1.438 11.367 -5.201 1.00 64.14 C ATOM 1153 CE LYS A 68 -0.600 11.689 -6.464 1.00 1.14 C ATOM 1154 NZ LYS A 68 -1.422 11.952 -7.684 1.00 41.45 N ATOM 0 H LYS A 68 -2.201 7.553 -6.933 1.00 61.30 H new ATOM 0 HA LYS A 68 -4.256 8.217 -5.113 1.00 21.13 H new ATOM 0 HB2 LYS A 68 -2.801 9.867 -7.223 1.00 45.33 H new ATOM 0 HB3 LYS A 68 -3.954 10.559 -6.098 1.00 45.33 H new ATOM 0 HG2 LYS A 68 -2.496 9.760 -4.188 1.00 53.53 H new ATOM 0 HG3 LYS A 68 -1.321 9.201 -5.362 1.00 53.53 H new ATOM 0 HD2 LYS A 68 -2.225 12.115 -5.106 1.00 64.14 H new ATOM 0 HD3 LYS A 68 -0.797 11.465 -4.325 1.00 64.14 H new ATOM 0 HE2 LYS A 68 0.023 12.560 -6.263 1.00 1.14 H new ATOM 0 HE3 LYS A 68 0.073 10.855 -6.664 1.00 1.14 H new ATOM 0 HZ1 LYS A 68 -0.839 12.432 -8.399 1.00 41.45 H new ATOM 0 HZ2 LYS A 68 -1.770 11.051 -8.069 1.00 41.45 H new ATOM 0 HZ3 LYS A 68 -2.231 12.557 -7.434 1.00 41.45 H new ATOM 1168 N GLU A 69 -5.052 8.322 -8.359 1.00 21.30 N ATOM 1169 CA GLU A 69 -6.153 8.337 -9.348 1.00 54.14 C ATOM 1170 C GLU A 69 -7.175 7.221 -9.088 1.00 43.24 C ATOM 1171 O GLU A 69 -8.375 7.499 -8.945 1.00 42.00 O ATOM 1172 CB GLU A 69 -5.586 8.216 -10.790 1.00 73.54 C ATOM 1173 CG GLU A 69 -5.089 9.541 -11.385 1.00 42.31 C ATOM 1174 CD GLU A 69 -6.228 10.548 -11.630 1.00 52.33 C ATOM 1175 OE1 GLU A 69 -6.983 10.375 -12.611 1.00 42.21 O ATOM 1176 OE2 GLU A 69 -6.387 11.503 -10.842 1.00 5.14 O ATOM 0 H GLU A 69 -4.129 8.216 -8.780 1.00 21.30 H new ATOM 0 HA GLU A 69 -6.671 9.290 -9.242 1.00 54.14 H new ATOM 0 HB2 GLU A 69 -4.763 7.501 -10.786 1.00 73.54 H new ATOM 0 HB3 GLU A 69 -6.360 7.807 -11.439 1.00 73.54 H new ATOM 0 HG2 GLU A 69 -4.356 9.985 -10.711 1.00 42.31 H new ATOM 0 HG3 GLU A 69 -4.577 9.342 -12.326 1.00 42.31 H new ATOM 1183 N LEU A 70 -6.668 5.976 -8.995 1.00 32.41 N ATOM 1184 CA LEU A 70 -7.495 4.775 -8.811 1.00 44.34 C ATOM 1185 C LEU A 70 -8.265 4.855 -7.476 1.00 53.01 C ATOM 1186 O LEU A 70 -9.475 4.629 -7.449 1.00 40.52 O ATOM 1187 CB LEU A 70 -6.610 3.491 -8.896 1.00 75.21 C ATOM 1188 CG LEU A 70 -5.867 3.260 -10.262 1.00 34.32 C ATOM 1189 CD1 LEU A 70 -4.942 2.018 -10.213 1.00 31.24 C ATOM 1190 CD2 LEU A 70 -6.865 3.167 -11.443 1.00 53.22 C ATOM 0 H LEU A 70 -5.669 5.778 -9.046 1.00 32.41 H new ATOM 0 HA LEU A 70 -8.232 4.720 -9.612 1.00 44.34 H new ATOM 0 HB2 LEU A 70 -5.865 3.533 -8.102 1.00 75.21 H new ATOM 0 HB3 LEU A 70 -7.240 2.625 -8.696 1.00 75.21 H new ATOM 0 HG LEU A 70 -5.233 4.131 -10.430 1.00 34.32 H new ATOM 0 HD11 LEU A 70 -4.448 1.894 -11.177 1.00 31.24 H new ATOM 0 HD12 LEU A 70 -4.191 2.154 -9.435 1.00 31.24 H new ATOM 0 HD13 LEU A 70 -5.536 1.131 -9.993 1.00 31.24 H new ATOM 0 HD21 LEU A 70 -6.316 3.007 -12.371 1.00 53.22 H new ATOM 0 HD22 LEU A 70 -7.548 2.334 -11.277 1.00 53.22 H new ATOM 0 HD23 LEU A 70 -7.434 4.094 -11.513 1.00 53.22 H new ATOM 1202 N ALA A 71 -7.556 5.257 -6.397 1.00 10.13 N ATOM 1203 CA ALA A 71 -8.137 5.427 -5.044 1.00 0.12 C ATOM 1204 C ALA A 71 -9.302 6.438 -5.022 1.00 4.53 C ATOM 1205 O ALA A 71 -10.299 6.228 -4.318 1.00 33.34 O ATOM 1206 CB ALA A 71 -7.045 5.865 -4.066 1.00 72.44 C ATOM 0 H ALA A 71 -6.560 5.474 -6.440 1.00 10.13 H new ATOM 0 HA ALA A 71 -8.546 4.463 -4.742 1.00 0.12 H new ATOM 0 HB1 ALA A 71 -7.475 5.989 -3.072 1.00 72.44 H new ATOM 0 HB2 ALA A 71 -6.263 5.107 -4.031 1.00 72.44 H new ATOM 0 HB3 ALA A 71 -6.618 6.812 -4.397 1.00 72.44 H new ATOM 1212 N GLN A 72 -9.159 7.527 -5.803 1.00 41.42 N ATOM 1213 CA GLN A 72 -10.187 8.578 -5.921 1.00 52.21 C ATOM 1214 C GLN A 72 -11.427 8.059 -6.675 1.00 25.42 C ATOM 1215 O GLN A 72 -12.558 8.356 -6.281 1.00 41.34 O ATOM 1216 CB GLN A 72 -9.597 9.841 -6.606 1.00 11.55 C ATOM 1217 CG GLN A 72 -8.593 10.630 -5.729 1.00 52.22 C ATOM 1218 CD GLN A 72 -7.958 11.821 -6.460 1.00 54.04 C ATOM 1219 OE1 GLN A 72 -8.482 12.935 -6.437 1.00 54.33 O ATOM 1220 NE2 GLN A 72 -6.841 11.590 -7.137 1.00 53.54 N ATOM 0 H GLN A 72 -8.328 7.702 -6.369 1.00 41.42 H new ATOM 0 HA GLN A 72 -10.508 8.857 -4.917 1.00 52.21 H new ATOM 0 HB2 GLN A 72 -9.099 9.541 -7.528 1.00 11.55 H new ATOM 0 HB3 GLN A 72 -10.415 10.504 -6.887 1.00 11.55 H new ATOM 0 HG2 GLN A 72 -9.105 10.991 -4.837 1.00 52.22 H new ATOM 0 HG3 GLN A 72 -7.805 9.956 -5.394 1.00 52.22 H new ATOM 0 HE21 GLN A 72 -6.429 10.657 -7.138 1.00 53.54 H new ATOM 0 HE22 GLN A 72 -6.394 12.346 -7.656 1.00 53.54 H new ATOM 1229 N LYS A 73 -11.212 7.238 -7.724 1.00 11.13 N ATOM 1230 CA LYS A 73 -12.327 6.638 -8.505 1.00 60.31 C ATOM 1231 C LYS A 73 -13.066 5.564 -7.674 1.00 4.31 C ATOM 1232 O LYS A 73 -14.206 5.206 -7.973 1.00 42.50 O ATOM 1233 CB LYS A 73 -11.818 6.023 -9.837 1.00 21.34 C ATOM 1234 CG LYS A 73 -10.981 6.972 -10.718 1.00 43.40 C ATOM 1235 CD LYS A 73 -11.654 8.338 -10.995 1.00 33.22 C ATOM 1236 CE LYS A 73 -10.770 9.257 -11.863 1.00 10.20 C ATOM 1237 NZ LYS A 73 -9.410 9.460 -11.281 1.00 41.33 N ATOM 0 H LYS A 73 -10.283 6.973 -8.053 1.00 11.13 H new ATOM 0 HA LYS A 73 -13.026 7.440 -8.744 1.00 60.31 H new ATOM 0 HB2 LYS A 73 -11.218 5.143 -9.607 1.00 21.34 H new ATOM 0 HB3 LYS A 73 -12.678 5.681 -10.413 1.00 21.34 H new ATOM 0 HG2 LYS A 73 -10.019 7.145 -10.235 1.00 43.40 H new ATOM 0 HG3 LYS A 73 -10.776 6.481 -11.669 1.00 43.40 H new ATOM 0 HD2 LYS A 73 -12.609 8.176 -11.496 1.00 33.22 H new ATOM 0 HD3 LYS A 73 -11.871 8.833 -10.048 1.00 33.22 H new ATOM 0 HE2 LYS A 73 -10.674 8.827 -12.860 1.00 10.20 H new ATOM 0 HE3 LYS A 73 -11.260 10.224 -11.978 1.00 10.20 H new ATOM 0 HZ1 LYS A 73 -8.880 10.137 -11.865 1.00 41.33 H new ATOM 0 HZ2 LYS A 73 -9.498 9.832 -10.314 1.00 41.33 H new ATOM 0 HZ3 LYS A 73 -8.903 8.552 -11.258 1.00 41.33 H new ATOM 1251 N MET A 74 -12.381 5.048 -6.642 1.00 50.52 N ATOM 1252 CA MET A 74 -12.953 4.095 -5.671 1.00 44.44 C ATOM 1253 C MET A 74 -13.495 4.827 -4.433 1.00 42.12 C ATOM 1254 O MET A 74 -14.151 4.208 -3.598 1.00 4.14 O ATOM 1255 CB MET A 74 -11.876 3.076 -5.236 1.00 44.12 C ATOM 1256 CG MET A 74 -11.265 2.279 -6.377 1.00 10.25 C ATOM 1257 SD MET A 74 -12.449 1.284 -7.290 1.00 72.42 S ATOM 1258 CE MET A 74 -11.317 0.351 -8.317 1.00 60.22 C ATOM 0 H MET A 74 -11.406 5.281 -6.454 1.00 50.52 H new ATOM 0 HA MET A 74 -13.779 3.573 -6.155 1.00 44.44 H new ATOM 0 HB2 MET A 74 -11.080 3.608 -4.714 1.00 44.12 H new ATOM 0 HB3 MET A 74 -12.318 2.382 -4.521 1.00 44.12 H new ATOM 0 HG2 MET A 74 -10.776 2.967 -7.067 1.00 10.25 H new ATOM 0 HG3 MET A 74 -10.490 1.626 -5.976 1.00 10.25 H new ATOM 0 HE1 MET A 74 -11.881 -0.221 -9.054 1.00 60.22 H new ATOM 0 HE2 MET A 74 -10.641 1.036 -8.829 1.00 60.22 H new ATOM 0 HE3 MET A 74 -10.739 -0.331 -7.694 1.00 60.22 H new ATOM 1268 N GLU A 75 -13.167 6.138 -4.321 1.00 72.05 N ATOM 1269 CA GLU A 75 -13.611 7.030 -3.219 1.00 31.14 C ATOM 1270 C GLU A 75 -13.123 6.563 -1.818 1.00 42.45 C ATOM 1271 O GLU A 75 -13.641 7.026 -0.798 1.00 42.54 O ATOM 1272 CB GLU A 75 -15.166 7.186 -3.260 1.00 2.23 C ATOM 1273 CG GLU A 75 -15.713 7.787 -4.575 1.00 33.03 C ATOM 1274 CD GLU A 75 -17.249 7.753 -4.659 1.00 30.14 C ATOM 1275 OE1 GLU A 75 -17.912 8.611 -4.041 1.00 61.14 O ATOM 1276 OE2 GLU A 75 -17.805 6.848 -5.326 1.00 51.22 O ATOM 0 H GLU A 75 -12.577 6.613 -5.004 1.00 72.05 H new ATOM 0 HA GLU A 75 -13.147 8.003 -3.380 1.00 31.14 H new ATOM 0 HB2 GLU A 75 -15.621 6.208 -3.105 1.00 2.23 H new ATOM 0 HB3 GLU A 75 -15.478 7.818 -2.429 1.00 2.23 H new ATOM 0 HG2 GLU A 75 -15.373 8.818 -4.666 1.00 33.03 H new ATOM 0 HG3 GLU A 75 -15.296 7.238 -5.420 1.00 33.03 H new ATOM 1283 N ILE A 76 -12.093 5.684 -1.779 1.00 25.41 N ATOM 1284 CA ILE A 76 -11.577 5.090 -0.519 1.00 0.21 C ATOM 1285 C ILE A 76 -10.602 6.063 0.184 1.00 42.24 C ATOM 1286 O ILE A 76 -9.865 6.801 -0.483 1.00 54.43 O ATOM 1287 CB ILE A 76 -10.844 3.710 -0.789 1.00 30.45 C ATOM 1288 CG1 ILE A 76 -11.777 2.723 -1.549 1.00 24.22 C ATOM 1289 CG2 ILE A 76 -10.337 3.060 0.530 1.00 72.23 C ATOM 1290 CD1 ILE A 76 -11.106 1.435 -1.989 1.00 22.14 C ATOM 0 H ILE A 76 -11.598 5.368 -2.613 1.00 25.41 H new ATOM 0 HA ILE A 76 -12.434 4.907 0.129 1.00 0.21 H new ATOM 0 HB ILE A 76 -9.977 3.924 -1.414 1.00 30.45 H new ATOM 0 HG12 ILE A 76 -12.623 2.476 -0.908 1.00 24.22 H new ATOM 0 HG13 ILE A 76 -12.179 3.227 -2.428 1.00 24.22 H new ATOM 0 HG21 ILE A 76 -9.841 2.116 0.303 1.00 72.23 H new ATOM 0 HG22 ILE A 76 -9.632 3.732 1.020 1.00 72.23 H new ATOM 0 HG23 ILE A 76 -11.182 2.875 1.193 1.00 72.23 H new ATOM 0 HD11 ILE A 76 -11.829 0.808 -2.510 1.00 22.14 H new ATOM 0 HD12 ILE A 76 -10.278 1.667 -2.658 1.00 22.14 H new ATOM 0 HD13 ILE A 76 -10.729 0.904 -1.115 1.00 22.14 H new ATOM 1302 N ASP A 77 -10.617 6.055 1.529 1.00 21.40 N ATOM 1303 CA ASP A 77 -9.666 6.810 2.365 1.00 5.11 C ATOM 1304 C ASP A 77 -8.282 6.107 2.334 1.00 12.53 C ATOM 1305 O ASP A 77 -8.085 5.068 2.981 1.00 22.12 O ATOM 1306 CB ASP A 77 -10.229 6.906 3.807 1.00 33.41 C ATOM 1307 CG ASP A 77 -9.354 7.729 4.766 1.00 40.42 C ATOM 1308 OD1 ASP A 77 -9.360 8.980 4.660 1.00 2.24 O ATOM 1309 OD2 ASP A 77 -8.677 7.145 5.645 1.00 73.50 O ATOM 0 H ASP A 77 -11.295 5.520 2.071 1.00 21.40 H new ATOM 0 HA ASP A 77 -9.535 7.822 1.981 1.00 5.11 H new ATOM 0 HB2 ASP A 77 -11.224 7.349 3.769 1.00 33.41 H new ATOM 0 HB3 ASP A 77 -10.343 5.899 4.209 1.00 33.41 H new ATOM 1314 N VAL A 78 -7.354 6.652 1.524 1.00 51.41 N ATOM 1315 CA VAL A 78 -6.036 6.033 1.248 1.00 4.31 C ATOM 1316 C VAL A 78 -4.879 7.011 1.564 1.00 42.15 C ATOM 1317 O VAL A 78 -4.958 8.199 1.249 1.00 22.42 O ATOM 1318 CB VAL A 78 -5.932 5.579 -0.263 1.00 13.30 C ATOM 1319 CG1 VAL A 78 -4.557 4.957 -0.580 1.00 42.42 C ATOM 1320 CG2 VAL A 78 -7.069 4.603 -0.642 1.00 43.34 C ATOM 0 H VAL A 78 -7.495 7.538 1.039 1.00 51.41 H new ATOM 0 HA VAL A 78 -5.949 5.160 1.895 1.00 4.31 H new ATOM 0 HB VAL A 78 -6.041 6.478 -0.870 1.00 13.30 H new ATOM 0 HG11 VAL A 78 -4.526 4.658 -1.628 1.00 42.42 H new ATOM 0 HG12 VAL A 78 -3.773 5.690 -0.388 1.00 42.42 H new ATOM 0 HG13 VAL A 78 -4.399 4.083 0.052 1.00 42.42 H new ATOM 0 HG21 VAL A 78 -6.966 4.312 -1.687 1.00 43.34 H new ATOM 0 HG22 VAL A 78 -7.012 3.716 -0.011 1.00 43.34 H new ATOM 0 HG23 VAL A 78 -8.032 5.092 -0.495 1.00 43.34 H new ATOM 1330 N ARG A 79 -3.809 6.486 2.199 1.00 13.02 N ATOM 1331 CA ARG A 79 -2.520 7.181 2.366 1.00 41.33 C ATOM 1332 C ARG A 79 -1.530 6.555 1.366 1.00 4.22 C ATOM 1333 O ARG A 79 -1.096 5.415 1.552 1.00 61.33 O ATOM 1334 CB ARG A 79 -1.980 7.065 3.840 1.00 23.35 C ATOM 1335 CG ARG A 79 -2.287 8.261 4.791 1.00 43.00 C ATOM 1336 CD ARG A 79 -3.754 8.372 5.239 1.00 75.23 C ATOM 1337 NE ARG A 79 -4.665 8.825 4.178 1.00 2.44 N ATOM 1338 CZ ARG A 79 -5.957 9.147 4.357 1.00 61.22 C ATOM 1339 NH1 ARG A 79 -6.508 9.093 5.571 1.00 63.42 N ATOM 1340 NH2 ARG A 79 -6.711 9.480 3.320 1.00 75.43 N ATOM 0 H ARG A 79 -3.819 5.555 2.615 1.00 13.02 H new ATOM 0 HA ARG A 79 -2.645 8.246 2.171 1.00 41.33 H new ATOM 0 HB2 ARG A 79 -2.395 6.161 4.285 1.00 23.35 H new ATOM 0 HB3 ARG A 79 -0.899 6.932 3.797 1.00 23.35 H new ATOM 0 HG2 ARG A 79 -1.658 8.173 5.677 1.00 43.00 H new ATOM 0 HG3 ARG A 79 -2.004 9.187 4.290 1.00 43.00 H new ATOM 0 HD2 ARG A 79 -4.088 7.400 5.601 1.00 75.23 H new ATOM 0 HD3 ARG A 79 -3.816 9.064 6.079 1.00 75.23 H new ATOM 0 HE ARG A 79 -4.287 8.901 3.234 1.00 2.44 H new ATOM 0 HH11 ARG A 79 -5.947 8.805 6.373 1.00 63.42 H new ATOM 0 HH12 ARG A 79 -7.490 9.339 5.697 1.00 63.42 H new ATOM 0 HH21 ARG A 79 -6.311 9.493 2.382 1.00 75.43 H new ATOM 0 HH22 ARG A 79 -7.692 9.724 3.460 1.00 75.43 H new ATOM 1354 N THR A 80 -1.198 7.293 0.297 1.00 24.50 N ATOM 1355 CA THR A 80 -0.317 6.802 -0.771 1.00 64.34 C ATOM 1356 C THR A 80 1.084 7.422 -0.582 1.00 20.43 C ATOM 1357 O THR A 80 1.251 8.644 -0.681 1.00 61.41 O ATOM 1358 CB THR A 80 -0.893 7.151 -2.186 1.00 25.43 C ATOM 1359 OG1 THR A 80 -2.284 6.791 -2.242 1.00 3.04 O ATOM 1360 CG2 THR A 80 -0.147 6.413 -3.312 1.00 41.24 C ATOM 0 H THR A 80 -1.532 8.245 0.149 1.00 24.50 H new ATOM 0 HA THR A 80 -0.249 5.716 -0.710 1.00 64.34 H new ATOM 0 HB THR A 80 -0.763 8.223 -2.335 1.00 25.43 H new ATOM 0 HG1 THR A 80 -2.644 7.011 -3.127 1.00 3.04 H new ATOM 0 HG21 THR A 80 -0.580 6.685 -4.275 1.00 41.24 H new ATOM 0 HG22 THR A 80 0.906 6.694 -3.296 1.00 41.24 H new ATOM 0 HG23 THR A 80 -0.238 5.337 -3.164 1.00 41.24 H new ATOM 1368 N ARG A 81 2.070 6.572 -0.268 1.00 31.42 N ATOM 1369 CA ARG A 81 3.452 6.983 0.042 1.00 4.10 C ATOM 1370 C ARG A 81 4.360 6.671 -1.146 1.00 35.54 C ATOM 1371 O ARG A 81 4.288 5.568 -1.688 1.00 30.25 O ATOM 1372 CB ARG A 81 3.985 6.194 1.264 1.00 74.14 C ATOM 1373 CG ARG A 81 3.045 6.131 2.473 1.00 1.24 C ATOM 1374 CD ARG A 81 2.716 7.501 3.067 1.00 61.20 C ATOM 1375 NE ARG A 81 2.017 7.355 4.342 1.00 42.04 N ATOM 1376 CZ ARG A 81 1.440 8.338 5.028 1.00 11.04 C ATOM 1377 NH1 ARG A 81 1.439 9.597 4.577 1.00 71.23 N ATOM 1378 NH2 ARG A 81 0.869 8.064 6.176 1.00 5.31 N ATOM 0 H ARG A 81 1.931 5.563 -0.221 1.00 31.42 H new ATOM 0 HA ARG A 81 3.450 8.052 0.256 1.00 4.10 H new ATOM 0 HB2 ARG A 81 4.209 5.175 0.947 1.00 74.14 H new ATOM 0 HB3 ARG A 81 4.926 6.643 1.581 1.00 74.14 H new ATOM 0 HG2 ARG A 81 2.118 5.641 2.176 1.00 1.24 H new ATOM 0 HG3 ARG A 81 3.501 5.510 3.244 1.00 1.24 H new ATOM 0 HD2 ARG A 81 3.634 8.070 3.213 1.00 61.20 H new ATOM 0 HD3 ARG A 81 2.098 8.067 2.370 1.00 61.20 H new ATOM 0 HE ARG A 81 1.967 6.418 4.741 1.00 42.04 H new ATOM 0 HH11 ARG A 81 1.887 9.821 3.689 1.00 71.23 H new ATOM 0 HH12 ARG A 81 0.990 10.333 5.121 1.00 71.23 H new ATOM 0 HH21 ARG A 81 0.871 7.108 6.531 1.00 5.31 H new ATOM 0 HH22 ARG A 81 0.422 8.807 6.714 1.00 5.31 H new ATOM 1392 N LYS A 82 5.217 7.621 -1.529 1.00 32.24 N ATOM 1393 CA LYS A 82 6.316 7.363 -2.460 1.00 4.41 C ATOM 1394 C LYS A 82 7.549 6.935 -1.647 1.00 62.20 C ATOM 1395 O LYS A 82 7.982 7.657 -0.744 1.00 10.53 O ATOM 1396 CB LYS A 82 6.621 8.618 -3.313 1.00 12.12 C ATOM 1397 CG LYS A 82 7.723 8.409 -4.378 1.00 50.14 C ATOM 1398 CD LYS A 82 8.044 9.699 -5.166 1.00 54.43 C ATOM 1399 CE LYS A 82 8.559 10.838 -4.267 1.00 43.22 C ATOM 1400 NZ LYS A 82 8.924 12.045 -5.054 1.00 5.42 N ATOM 0 H LYS A 82 5.168 8.586 -1.203 1.00 32.24 H new ATOM 0 HA LYS A 82 6.037 6.566 -3.150 1.00 4.41 H new ATOM 0 HB2 LYS A 82 5.705 8.936 -3.812 1.00 12.12 H new ATOM 0 HB3 LYS A 82 6.921 9.430 -2.650 1.00 12.12 H new ATOM 0 HG2 LYS A 82 8.630 8.051 -3.891 1.00 50.14 H new ATOM 0 HG3 LYS A 82 7.407 7.632 -5.074 1.00 50.14 H new ATOM 0 HD2 LYS A 82 8.792 9.477 -5.927 1.00 54.43 H new ATOM 0 HD3 LYS A 82 7.147 10.032 -5.688 1.00 54.43 H new ATOM 0 HE2 LYS A 82 7.793 11.099 -3.537 1.00 43.22 H new ATOM 0 HE3 LYS A 82 9.428 10.493 -3.707 1.00 43.22 H new ATOM 0 HZ1 LYS A 82 9.266 12.788 -4.412 1.00 5.42 H new ATOM 0 HZ2 LYS A 82 9.673 11.803 -5.733 1.00 5.42 H new ATOM 0 HZ3 LYS A 82 8.089 12.390 -5.569 1.00 5.42 H new ATOM 1414 N VAL A 83 8.079 5.739 -1.944 1.00 10.20 N ATOM 1415 CA VAL A 83 9.259 5.174 -1.261 1.00 71.44 C ATOM 1416 C VAL A 83 10.261 4.649 -2.309 1.00 72.10 C ATOM 1417 O VAL A 83 9.876 3.988 -3.276 1.00 75.24 O ATOM 1418 CB VAL A 83 8.858 4.029 -0.237 1.00 25.24 C ATOM 1419 CG1 VAL A 83 7.948 4.576 0.890 1.00 61.14 C ATOM 1420 CG2 VAL A 83 8.189 2.817 -0.934 1.00 22.02 C ATOM 0 H VAL A 83 7.700 5.130 -2.670 1.00 10.20 H new ATOM 0 HA VAL A 83 9.729 5.967 -0.680 1.00 71.44 H new ATOM 0 HB VAL A 83 9.788 3.674 0.208 1.00 25.24 H new ATOM 0 HG11 VAL A 83 7.691 3.768 1.575 1.00 61.14 H new ATOM 0 HG12 VAL A 83 8.475 5.359 1.435 1.00 61.14 H new ATOM 0 HG13 VAL A 83 7.037 4.986 0.455 1.00 61.14 H new ATOM 0 HG21 VAL A 83 7.935 2.063 -0.189 1.00 22.02 H new ATOM 0 HG22 VAL A 83 7.282 3.145 -1.443 1.00 22.02 H new ATOM 0 HG23 VAL A 83 8.879 2.389 -1.662 1.00 22.02 H new ATOM 1430 N THR A 84 11.544 4.974 -2.123 1.00 74.40 N ATOM 1431 CA THR A 84 12.635 4.536 -3.018 1.00 21.45 C ATOM 1432 C THR A 84 13.619 3.626 -2.263 1.00 52.03 C ATOM 1433 O THR A 84 14.520 3.043 -2.870 1.00 43.43 O ATOM 1434 CB THR A 84 13.398 5.771 -3.620 1.00 33.41 C ATOM 1435 OG1 THR A 84 13.927 6.597 -2.559 1.00 72.23 O ATOM 1436 CG2 THR A 84 12.487 6.636 -4.529 1.00 51.45 C ATOM 0 H THR A 84 11.863 5.551 -1.345 1.00 74.40 H new ATOM 0 HA THR A 84 12.190 3.972 -3.838 1.00 21.45 H new ATOM 0 HB THR A 84 14.210 5.376 -4.230 1.00 33.41 H new ATOM 0 HG1 THR A 84 13.628 6.248 -1.693 1.00 72.23 H new ATOM 0 HG21 THR A 84 13.058 7.477 -4.922 1.00 51.45 H new ATOM 0 HG22 THR A 84 12.118 6.030 -5.357 1.00 51.45 H new ATOM 0 HG23 THR A 84 11.643 7.010 -3.949 1.00 51.45 H new ATOM 1444 N SER A 85 13.441 3.525 -0.931 1.00 3.14 N ATOM 1445 CA SER A 85 14.294 2.723 -0.043 1.00 32.24 C ATOM 1446 C SER A 85 13.416 1.847 0.880 1.00 73.31 C ATOM 1447 O SER A 85 12.351 2.307 1.314 1.00 33.11 O ATOM 1448 CB SER A 85 15.196 3.669 0.785 1.00 4.45 C ATOM 1449 OG SER A 85 16.012 4.462 -0.060 1.00 72.24 O ATOM 0 H SER A 85 12.689 4.007 -0.438 1.00 3.14 H new ATOM 0 HA SER A 85 14.927 2.062 -0.634 1.00 32.24 H new ATOM 0 HB2 SER A 85 14.577 4.314 1.408 1.00 4.45 H new ATOM 0 HB3 SER A 85 15.823 3.083 1.457 1.00 4.45 H new ATOM 0 HG SER A 85 16.572 5.053 0.486 1.00 72.24 H new ATOM 1455 N PRO A 86 13.832 0.558 1.152 1.00 33.14 N ATOM 1456 CA PRO A 86 13.095 -0.382 2.045 1.00 72.51 C ATOM 1457 C PRO A 86 12.637 0.237 3.372 1.00 21.13 C ATOM 1458 O PRO A 86 11.465 0.127 3.732 1.00 54.34 O ATOM 1459 CB PRO A 86 14.113 -1.522 2.281 1.00 20.04 C ATOM 1460 CG PRO A 86 14.933 -1.548 1.027 1.00 75.32 C ATOM 1461 CD PRO A 86 15.033 -0.106 0.565 1.00 31.14 C ATOM 0 HA PRO A 86 12.161 -0.707 1.587 1.00 72.51 H new ATOM 0 HB2 PRO A 86 14.732 -1.328 3.157 1.00 20.04 H new ATOM 0 HB3 PRO A 86 13.612 -2.475 2.449 1.00 20.04 H new ATOM 0 HG2 PRO A 86 15.921 -1.967 1.215 1.00 75.32 H new ATOM 0 HG3 PRO A 86 14.463 -2.170 0.266 1.00 75.32 H new ATOM 0 HD2 PRO A 86 15.955 0.360 0.914 1.00 31.14 H new ATOM 0 HD3 PRO A 86 15.033 -0.037 -0.523 1.00 31.14 H new ATOM 1469 N ASP A 87 13.564 0.937 4.053 1.00 15.22 N ATOM 1470 CA ASP A 87 13.326 1.482 5.412 1.00 41.43 C ATOM 1471 C ASP A 87 12.256 2.584 5.429 1.00 64.12 C ATOM 1472 O ASP A 87 11.610 2.794 6.460 1.00 23.12 O ATOM 1473 CB ASP A 87 14.641 1.986 6.056 1.00 50.32 C ATOM 1474 CG ASP A 87 15.608 0.842 6.392 1.00 44.41 C ATOM 1475 OD1 ASP A 87 15.346 0.098 7.354 1.00 11.43 O ATOM 1476 OD2 ASP A 87 16.626 0.668 5.699 1.00 2.21 O ATOM 0 H ASP A 87 14.493 1.142 3.684 1.00 15.22 H new ATOM 0 HA ASP A 87 12.943 0.655 6.011 1.00 41.43 H new ATOM 0 HB2 ASP A 87 15.131 2.683 5.376 1.00 50.32 H new ATOM 0 HB3 ASP A 87 14.407 2.539 6.966 1.00 50.32 H new ATOM 1481 N GLU A 88 12.074 3.273 4.287 1.00 51.55 N ATOM 1482 CA GLU A 88 11.003 4.273 4.119 1.00 3.03 C ATOM 1483 C GLU A 88 9.627 3.576 4.147 1.00 74.31 C ATOM 1484 O GLU A 88 8.723 4.001 4.870 1.00 42.42 O ATOM 1485 CB GLU A 88 11.194 5.071 2.800 1.00 64.42 C ATOM 1486 CG GLU A 88 12.532 5.833 2.693 1.00 21.41 C ATOM 1487 CD GLU A 88 12.617 6.715 1.434 1.00 64.32 C ATOM 1488 OE1 GLU A 88 12.889 6.180 0.336 1.00 64.13 O ATOM 1489 OE2 GLU A 88 12.378 7.943 1.529 1.00 55.44 O ATOM 0 H GLU A 88 12.660 3.154 3.461 1.00 51.55 H new ATOM 0 HA GLU A 88 11.052 4.983 4.945 1.00 3.03 H new ATOM 0 HB2 GLU A 88 11.117 4.381 1.960 1.00 64.42 H new ATOM 0 HB3 GLU A 88 10.376 5.785 2.702 1.00 64.42 H new ATOM 0 HG2 GLU A 88 12.661 6.457 3.577 1.00 21.41 H new ATOM 0 HG3 GLU A 88 13.353 5.116 2.685 1.00 21.41 H new ATOM 1496 N ALA A 89 9.526 2.451 3.406 1.00 12.42 N ATOM 1497 CA ALA A 89 8.289 1.650 3.308 1.00 42.03 C ATOM 1498 C ALA A 89 7.934 1.028 4.667 1.00 65.11 C ATOM 1499 O ALA A 89 6.772 1.048 5.083 1.00 22.21 O ATOM 1500 CB ALA A 89 8.441 0.564 2.234 1.00 3.32 C ATOM 0 H ALA A 89 10.300 2.074 2.860 1.00 12.42 H new ATOM 0 HA ALA A 89 7.472 2.310 3.017 1.00 42.03 H new ATOM 0 HB1 ALA A 89 7.522 -0.018 2.173 1.00 3.32 H new ATOM 0 HB2 ALA A 89 8.639 1.031 1.269 1.00 3.32 H new ATOM 0 HB3 ALA A 89 9.270 -0.093 2.496 1.00 3.32 H new ATOM 1506 N LYS A 90 8.972 0.523 5.359 1.00 34.11 N ATOM 1507 CA LYS A 90 8.855 -0.110 6.683 1.00 2.01 C ATOM 1508 C LYS A 90 8.378 0.903 7.741 1.00 12.24 C ATOM 1509 O LYS A 90 7.529 0.578 8.591 1.00 5.24 O ATOM 1510 CB LYS A 90 10.244 -0.677 7.081 1.00 2.11 C ATOM 1511 CG LYS A 90 10.770 -1.804 6.154 1.00 21.04 C ATOM 1512 CD LYS A 90 12.299 -2.036 6.286 1.00 52.25 C ATOM 1513 CE LYS A 90 12.756 -2.466 7.687 1.00 21.40 C ATOM 1514 NZ LYS A 90 14.234 -2.662 7.740 1.00 34.23 N ATOM 0 H LYS A 90 9.929 0.544 5.008 1.00 34.11 H new ATOM 0 HA LYS A 90 8.118 -0.911 6.634 1.00 2.01 H new ATOM 0 HB2 LYS A 90 10.967 0.139 7.086 1.00 2.11 H new ATOM 0 HB3 LYS A 90 10.188 -1.059 8.100 1.00 2.11 H new ATOM 0 HG2 LYS A 90 10.246 -2.731 6.386 1.00 21.04 H new ATOM 0 HG3 LYS A 90 10.534 -1.555 5.119 1.00 21.04 H new ATOM 0 HD2 LYS A 90 12.602 -2.798 5.568 1.00 52.25 H new ATOM 0 HD3 LYS A 90 12.819 -1.117 6.014 1.00 52.25 H new ATOM 0 HE2 LYS A 90 12.461 -1.711 8.416 1.00 21.40 H new ATOM 0 HE3 LYS A 90 12.254 -3.392 7.967 1.00 21.40 H new ATOM 0 HZ1 LYS A 90 14.494 -3.096 8.648 1.00 34.23 H new ATOM 0 HZ2 LYS A 90 14.530 -3.285 6.961 1.00 34.23 H new ATOM 0 HZ3 LYS A 90 14.710 -1.742 7.647 1.00 34.23 H new ATOM 1528 N ARG A 91 8.953 2.127 7.662 1.00 31.31 N ATOM 1529 CA ARG A 91 8.624 3.242 8.559 1.00 61.23 C ATOM 1530 C ARG A 91 7.132 3.562 8.487 1.00 71.13 C ATOM 1531 O ARG A 91 6.459 3.568 9.508 1.00 13.21 O ATOM 1532 CB ARG A 91 9.448 4.507 8.193 1.00 70.50 C ATOM 1533 CG ARG A 91 9.160 5.745 9.077 1.00 2.24 C ATOM 1534 CD ARG A 91 9.894 7.010 8.603 1.00 13.13 C ATOM 1535 NE ARG A 91 11.363 6.857 8.607 1.00 2.51 N ATOM 1536 CZ ARG A 91 12.253 7.817 8.935 1.00 30.13 C ATOM 1537 NH1 ARG A 91 11.855 9.036 9.310 1.00 45.54 N ATOM 1538 NH2 ARG A 91 13.548 7.545 8.881 1.00 33.34 N ATOM 0 H ARG A 91 9.662 2.362 6.967 1.00 31.31 H new ATOM 0 HA ARG A 91 8.877 2.941 9.576 1.00 61.23 H new ATOM 0 HB2 ARG A 91 10.509 4.266 8.264 1.00 70.50 H new ATOM 0 HB3 ARG A 91 9.248 4.766 7.153 1.00 70.50 H new ATOM 0 HG2 ARG A 91 8.087 5.936 9.085 1.00 2.24 H new ATOM 0 HG3 ARG A 91 9.452 5.526 10.104 1.00 2.24 H new ATOM 0 HD2 ARG A 91 9.562 7.260 7.595 1.00 13.13 H new ATOM 0 HD3 ARG A 91 9.619 7.846 9.246 1.00 13.13 H new ATOM 0 HE ARG A 91 11.737 5.947 8.339 1.00 2.51 H new ATOM 0 HH11 ARG A 91 10.860 9.257 9.353 1.00 45.54 H new ATOM 0 HH12 ARG A 91 12.546 9.746 9.553 1.00 45.54 H new ATOM 0 HH21 ARG A 91 13.863 6.618 8.594 1.00 33.34 H new ATOM 0 HH22 ARG A 91 14.230 8.262 9.126 1.00 33.34 H new ATOM 1552 N TRP A 92 6.623 3.791 7.260 1.00 73.41 N ATOM 1553 CA TRP A 92 5.213 4.155 7.045 1.00 3.23 C ATOM 1554 C TRP A 92 4.217 3.085 7.528 1.00 30.22 C ATOM 1555 O TRP A 92 3.089 3.428 7.847 1.00 1.43 O ATOM 1556 CB TRP A 92 4.951 4.486 5.558 1.00 54.14 C ATOM 1557 CG TRP A 92 5.635 5.745 5.068 1.00 41.12 C ATOM 1558 CD1 TRP A 92 6.503 5.859 4.023 1.00 71.45 C ATOM 1559 CD2 TRP A 92 5.487 7.076 5.601 1.00 23.52 C ATOM 1560 NE1 TRP A 92 6.902 7.157 3.873 1.00 64.24 N ATOM 1561 CE2 TRP A 92 6.298 7.925 4.827 1.00 14.54 C ATOM 1562 CE3 TRP A 92 4.751 7.630 6.653 1.00 21.44 C ATOM 1563 CZ2 TRP A 92 6.396 9.291 5.068 1.00 43.04 C ATOM 1564 CZ3 TRP A 92 4.848 8.987 6.895 1.00 63.54 C ATOM 1565 CH2 TRP A 92 5.664 9.806 6.104 1.00 70.12 C ATOM 0 H TRP A 92 7.171 3.729 6.402 1.00 73.41 H new ATOM 0 HA TRP A 92 5.041 5.041 7.656 1.00 3.23 H new ATOM 0 HB2 TRP A 92 5.282 3.646 4.947 1.00 54.14 H new ATOM 0 HB3 TRP A 92 3.877 4.587 5.405 1.00 54.14 H new ATOM 0 HD1 TRP A 92 6.829 5.039 3.401 1.00 71.45 H new ATOM 0 HE1 TRP A 92 7.548 7.498 3.161 1.00 64.24 H new ATOM 0 HE3 TRP A 92 4.117 7.007 7.267 1.00 21.44 H new ATOM 0 HZ2 TRP A 92 7.027 9.923 4.460 1.00 43.04 H new ATOM 0 HZ3 TRP A 92 4.286 9.423 7.707 1.00 63.54 H new ATOM 0 HH2 TRP A 92 5.717 10.864 6.315 1.00 70.12 H new ATOM 1576 N ILE A 93 4.635 1.804 7.569 1.00 75.42 N ATOM 1577 CA ILE A 93 3.792 0.701 8.084 1.00 5.44 C ATOM 1578 C ILE A 93 3.689 0.791 9.625 1.00 60.03 C ATOM 1579 O ILE A 93 2.593 0.657 10.195 1.00 43.05 O ATOM 1580 CB ILE A 93 4.356 -0.696 7.617 1.00 33.11 C ATOM 1581 CG1 ILE A 93 4.277 -0.799 6.056 1.00 63.32 C ATOM 1582 CG2 ILE A 93 3.623 -1.880 8.298 1.00 75.43 C ATOM 1583 CD1 ILE A 93 4.894 -2.049 5.464 1.00 71.42 C ATOM 0 H ILE A 93 5.556 1.505 7.250 1.00 75.42 H new ATOM 0 HA ILE A 93 2.787 0.797 7.673 1.00 5.44 H new ATOM 0 HB ILE A 93 5.399 -0.762 7.926 1.00 33.11 H new ATOM 0 HG12 ILE A 93 3.230 -0.752 5.757 1.00 63.32 H new ATOM 0 HG13 ILE A 93 4.771 0.071 5.624 1.00 63.32 H new ATOM 0 HG21 ILE A 93 4.046 -2.821 7.945 1.00 75.43 H new ATOM 0 HG22 ILE A 93 3.745 -1.810 9.379 1.00 75.43 H new ATOM 0 HG23 ILE A 93 2.562 -1.843 8.049 1.00 75.43 H new ATOM 0 HD11 ILE A 93 4.789 -2.028 4.379 1.00 71.42 H new ATOM 0 HD12 ILE A 93 5.951 -2.092 5.726 1.00 71.42 H new ATOM 0 HD13 ILE A 93 4.386 -2.928 5.860 1.00 71.42 H new ATOM 1595 N LYS A 94 4.846 1.042 10.275 1.00 24.32 N ATOM 1596 CA LYS A 94 4.930 1.361 11.720 1.00 14.22 C ATOM 1597 C LYS A 94 4.008 2.552 12.084 1.00 65.43 C ATOM 1598 O LYS A 94 3.238 2.480 13.054 1.00 51.52 O ATOM 1599 CB LYS A 94 6.410 1.682 12.080 1.00 23.11 C ATOM 1600 CG LYS A 94 6.646 2.244 13.503 1.00 45.13 C ATOM 1601 CD LYS A 94 8.082 2.790 13.680 1.00 32.43 C ATOM 1602 CE LYS A 94 8.283 3.508 15.022 1.00 62.43 C ATOM 1603 NZ LYS A 94 7.354 4.663 15.186 1.00 42.25 N ATOM 0 H LYS A 94 5.754 1.029 9.811 1.00 24.32 H new ATOM 0 HA LYS A 94 4.591 0.500 12.296 1.00 14.22 H new ATOM 0 HB2 LYS A 94 6.998 0.772 11.966 1.00 23.11 H new ATOM 0 HB3 LYS A 94 6.793 2.402 11.357 1.00 23.11 H new ATOM 0 HG2 LYS A 94 5.928 3.040 13.702 1.00 45.13 H new ATOM 0 HG3 LYS A 94 6.463 1.460 14.237 1.00 45.13 H new ATOM 0 HD2 LYS A 94 8.791 1.966 13.604 1.00 32.43 H new ATOM 0 HD3 LYS A 94 8.307 3.480 12.867 1.00 32.43 H new ATOM 0 HE2 LYS A 94 8.129 2.801 15.837 1.00 62.43 H new ATOM 0 HE3 LYS A 94 9.313 3.859 15.094 1.00 62.43 H new ATOM 0 HZ1 LYS A 94 7.850 5.443 15.663 1.00 42.25 H new ATOM 0 HZ2 LYS A 94 7.027 4.981 14.251 1.00 42.25 H new ATOM 0 HZ3 LYS A 94 6.536 4.372 15.759 1.00 42.25 H new ATOM 1617 N GLU A 95 4.071 3.623 11.270 1.00 11.13 N ATOM 1618 CA GLU A 95 3.271 4.841 11.488 1.00 42.14 C ATOM 1619 C GLU A 95 1.767 4.558 11.260 1.00 31.04 C ATOM 1620 O GLU A 95 0.927 5.014 12.031 1.00 30.43 O ATOM 1621 CB GLU A 95 3.756 5.989 10.554 1.00 60.23 C ATOM 1622 CG GLU A 95 5.274 6.292 10.599 1.00 15.14 C ATOM 1623 CD GLU A 95 5.816 6.652 11.999 1.00 21.24 C ATOM 1624 OE1 GLU A 95 5.822 7.849 12.354 1.00 5.04 O ATOM 1625 OE2 GLU A 95 6.256 5.748 12.743 1.00 12.02 O ATOM 0 H GLU A 95 4.674 3.668 10.448 1.00 11.13 H new ATOM 0 HA GLU A 95 3.407 5.156 12.523 1.00 42.14 H new ATOM 0 HB2 GLU A 95 3.484 5.738 9.529 1.00 60.23 H new ATOM 0 HB3 GLU A 95 3.214 6.898 10.814 1.00 60.23 H new ATOM 0 HG2 GLU A 95 5.816 5.423 10.226 1.00 15.14 H new ATOM 0 HG3 GLU A 95 5.487 7.116 9.918 1.00 15.14 H new ATOM 1632 N PHE A 96 1.470 3.753 10.216 1.00 61.41 N ATOM 1633 CA PHE A 96 0.094 3.438 9.748 1.00 71.24 C ATOM 1634 C PHE A 96 -0.708 2.640 10.784 1.00 35.21 C ATOM 1635 O PHE A 96 -1.940 2.775 10.865 1.00 42.33 O ATOM 1636 CB PHE A 96 0.188 2.664 8.414 1.00 20.21 C ATOM 1637 CG PHE A 96 -1.132 2.303 7.747 1.00 13.51 C ATOM 1638 CD1 PHE A 96 -1.991 3.296 7.276 1.00 12.21 C ATOM 1639 CD2 PHE A 96 -1.501 0.965 7.563 1.00 30.45 C ATOM 1640 CE1 PHE A 96 -3.174 2.960 6.650 1.00 30.13 C ATOM 1641 CE2 PHE A 96 -2.683 0.637 6.942 1.00 62.44 C ATOM 1642 CZ PHE A 96 -3.518 1.631 6.486 1.00 71.44 C ATOM 0 H PHE A 96 2.192 3.293 9.661 1.00 61.41 H new ATOM 0 HA PHE A 96 -0.443 4.375 9.601 1.00 71.24 H new ATOM 0 HB2 PHE A 96 0.773 3.260 7.714 1.00 20.21 H new ATOM 0 HB3 PHE A 96 0.744 1.744 8.591 1.00 20.21 H new ATOM 0 HD1 PHE A 96 -1.728 4.336 7.402 1.00 12.21 H new ATOM 0 HD2 PHE A 96 -0.848 0.180 7.914 1.00 30.45 H new ATOM 0 HE1 PHE A 96 -3.832 3.736 6.288 1.00 30.13 H new ATOM 0 HE2 PHE A 96 -2.956 -0.400 6.812 1.00 62.44 H new ATOM 0 HZ PHE A 96 -4.446 1.372 5.998 1.00 71.44 H new ATOM 1652 N SER A 97 0.007 1.816 11.563 1.00 30.32 N ATOM 1653 CA SER A 97 -0.576 1.086 12.700 1.00 2.32 C ATOM 1654 C SER A 97 -1.219 2.080 13.700 1.00 34.20 C ATOM 1655 O SER A 97 -2.312 1.840 14.223 1.00 43.43 O ATOM 1656 CB SER A 97 0.515 0.254 13.397 1.00 3.11 C ATOM 1657 OG SER A 97 1.142 -0.647 12.492 1.00 33.13 O ATOM 0 H SER A 97 1.001 1.637 11.424 1.00 30.32 H new ATOM 0 HA SER A 97 -1.353 0.414 12.334 1.00 2.32 H new ATOM 0 HB2 SER A 97 1.264 0.920 13.826 1.00 3.11 H new ATOM 0 HB3 SER A 97 0.075 -0.305 14.223 1.00 3.11 H new ATOM 0 HG SER A 97 1.665 -0.141 11.836 1.00 33.13 H new