USER MOD reduce.3.24.130724 H: found=0, std=0, add=1147, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 1147 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 170:sc=-0.00981 USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 83:sc= 0.0239 USER MOD Single : A 28 ASN : amide:sc= 0.0893 X(o=0.089,f=0) USER MOD Single : A 30 LYS NZ :NH3+ -116:sc= -0.216 (180deg=-0.76) USER MOD Single : A 31 THR OG1 : rot -170:sc= 0 USER MOD Single : A 34 THR OG1 : rot 110:sc= -0.023 USER MOD Single : A 37 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 LYS NZ :NH3+ 146:sc= 0.864 (180deg=0.249) USER MOD Single : A 41 LYS NZ :NH3+ 153:sc= 1.23 (180deg=0.148) USER MOD Single : A 46 LYS NZ :NH3+ 157:sc= 1.02 (180deg=0.5) USER MOD Single : A 49 LYS NZ :NH3+ -174:sc= 0 (180deg=-0.0342) USER MOD Single : A 50 GLN : amide:sc=-0.00404 X(o=-0.004,f=-0.49) USER MOD Single : A 62 THR OG1 : rot -101:sc= 0.628 USER MOD Single : A 72 TYR OH : rot 120:sc= 0 USER MOD Single : A 74 GLN : amide:sc= -0.0123 K(o=-0.012,f=-1.4!) USER MOD Single : A 75 LYS NZ :NH3+ -112:sc= -0.526 (180deg=-2.38!) USER MOD Single : A 84 MET CE :methyl -168:sc= -1.17 (180deg=-1.65) USER MOD Single : A 87 GLN : amide:sc= -0.028 X(o=-0.028,f=-0.19) USER MOD Single : A 89 GLN : amide:sc= -1.59 K(o=-1.6,f=-2.9!) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -1.27 K(o=-1.3,f=-4.6!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 LYS NZ :NH3+ -135:sc= 0.96 (180deg=-0.332) USER MOD Single : A 109 THR OG1 : rot -150:sc= 0 USER MOD Single : A 111 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.041) USER MOD Single : A 116 LYS NZ :NH3+ -171:sc= 1.13 (180deg=1.04) USER MOD Single : A 117 LYS NZ :NH3+ 141:sc= -0.951 (180deg=-2.93!) USER MOD Single : A 120 LYS NZ :NH3+ 136:sc= 0.549 (180deg=-0.285) USER MOD Single : A 125 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0641) USER MOD Single : A 129 HIS : no HE2:sc= 0.259 K(o=0.67,f=-3.6!) USER MOD Single : A 130 HIS : no HE2:sc= -0.0568 K(o=-0.057,f=-1.6) USER MOD Single : A 131 HIS : no HD1:sc= -0.0473 X(o=-0.047,f=-0.044) USER MOD Single : A 132 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 133 HIS : no HD1:sc= 0 X(o=0,f=-0.0039) USER MOD Single : A 134 HIS : no HD1:sc= 0.0149 X(o=0.015,f=-0.47) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.359 16.126 1.146 1.00 64.13 N ATOM 2 CA MET A 1 0.328 16.122 -0.332 1.00 25.44 C ATOM 3 C MET A 1 0.658 14.706 -0.847 1.00 54.22 C ATOM 4 O MET A 1 -0.173 14.067 -1.508 1.00 53.21 O ATOM 5 CB MET A 1 1.330 17.166 -0.904 1.00 33.44 C ATOM 6 CG MET A 1 1.286 17.313 -2.431 1.00 40.11 C ATOM 7 SD MET A 1 2.537 18.448 -3.067 1.00 21.03 S ATOM 8 CE MET A 1 2.257 18.313 -4.834 1.00 74.04 C ATOM 0 H1 MET A 1 0.137 17.080 1.495 1.00 64.13 H new ATOM 0 H2 MET A 1 -0.344 15.452 1.510 1.00 64.13 H new ATOM 0 H3 MET A 1 1.306 15.849 1.474 1.00 64.13 H new ATOM 0 HA MET A 1 -0.670 16.400 -0.671 1.00 25.44 H new ATOM 0 HB2 MET A 1 1.124 18.136 -0.451 1.00 33.44 H new ATOM 0 HB3 MET A 1 2.340 16.884 -0.607 1.00 33.44 H new ATOM 0 HG2 MET A 1 1.426 16.334 -2.889 1.00 40.11 H new ATOM 0 HG3 MET A 1 0.298 17.666 -2.728 1.00 40.11 H new ATOM 0 HE1 MET A 1 2.957 18.959 -5.364 1.00 74.04 H new ATOM 0 HE2 MET A 1 2.407 17.280 -5.148 1.00 74.04 H new ATOM 0 HE3 MET A 1 1.236 18.618 -5.065 1.00 74.04 H new ATOM 20 N GLY A 2 1.883 14.225 -0.532 1.00 13.04 N ATOM 21 CA GLY A 2 2.305 12.866 -0.886 1.00 3.24 C ATOM 22 C GLY A 2 1.547 11.820 -0.073 1.00 73.24 C ATOM 23 O GLY A 2 1.346 12.001 1.129 1.00 14.00 O ATOM 0 H GLY A 2 2.591 14.764 -0.033 1.00 13.04 H new ATOM 0 HA2 GLY A 2 2.136 12.696 -1.949 1.00 3.24 H new ATOM 0 HA3 GLY A 2 3.376 12.759 -0.712 1.00 3.24 H new ATOM 27 N THR A 3 1.102 10.749 -0.730 1.00 41.41 N ATOM 28 CA THR A 3 0.251 9.716 -0.121 1.00 5.32 C ATOM 29 C THR A 3 0.785 8.320 -0.495 1.00 50.23 C ATOM 30 O THR A 3 0.689 7.911 -1.648 1.00 21.52 O ATOM 31 CB THR A 3 -1.229 9.911 -0.613 1.00 53.34 C ATOM 32 OG1 THR A 3 -1.716 11.199 -0.182 1.00 13.03 O ATOM 33 CG2 THR A 3 -2.181 8.810 -0.118 1.00 51.10 C ATOM 0 H THR A 3 1.322 10.569 -1.710 1.00 41.41 H new ATOM 0 HA THR A 3 0.269 9.805 0.965 1.00 5.32 H new ATOM 0 HB THR A 3 -1.211 9.850 -1.701 1.00 53.34 H new ATOM 0 HG1 THR A 3 -2.638 11.320 -0.491 1.00 13.03 H new ATOM 0 HG21 THR A 3 -3.186 9.003 -0.492 1.00 51.10 H new ATOM 0 HG22 THR A 3 -1.838 7.842 -0.482 1.00 51.10 H new ATOM 0 HG23 THR A 3 -2.195 8.804 0.972 1.00 51.10 H new ATOM 41 N VAL A 4 1.335 7.593 0.496 1.00 2.01 N ATOM 42 CA VAL A 4 1.922 6.261 0.285 1.00 32.22 C ATOM 43 C VAL A 4 0.885 5.188 0.661 1.00 20.40 C ATOM 44 O VAL A 4 0.615 4.957 1.838 1.00 74.22 O ATOM 45 CB VAL A 4 3.238 6.065 1.133 1.00 71.11 C ATOM 46 CG1 VAL A 4 3.894 4.692 0.854 1.00 35.30 C ATOM 47 CG2 VAL A 4 4.234 7.216 0.873 1.00 14.42 C ATOM 0 H VAL A 4 1.384 7.914 1.463 1.00 2.01 H new ATOM 0 HA VAL A 4 2.193 6.165 -0.766 1.00 32.22 H new ATOM 0 HB VAL A 4 2.959 6.086 2.186 1.00 71.11 H new ATOM 0 HG11 VAL A 4 4.798 4.592 1.455 1.00 35.30 H new ATOM 0 HG12 VAL A 4 3.196 3.896 1.113 1.00 35.30 H new ATOM 0 HG13 VAL A 4 4.151 4.620 -0.203 1.00 35.30 H new ATOM 0 HG21 VAL A 4 5.134 7.060 1.468 1.00 14.42 H new ATOM 0 HG22 VAL A 4 4.497 7.237 -0.184 1.00 14.42 H new ATOM 0 HG23 VAL A 4 3.775 8.164 1.152 1.00 14.42 H new ATOM 57 N VAL A 5 0.284 4.567 -0.358 1.00 21.32 N ATOM 58 CA VAL A 5 -0.609 3.422 -0.190 1.00 54.42 C ATOM 59 C VAL A 5 0.235 2.141 -0.258 1.00 43.41 C ATOM 60 O VAL A 5 0.778 1.813 -1.308 1.00 4.13 O ATOM 61 CB VAL A 5 -1.728 3.390 -1.301 1.00 4.43 C ATOM 62 CG1 VAL A 5 -2.681 2.177 -1.136 1.00 32.01 C ATOM 63 CG2 VAL A 5 -2.516 4.722 -1.339 1.00 3.14 C ATOM 0 H VAL A 5 0.406 4.849 -1.331 1.00 21.32 H new ATOM 0 HA VAL A 5 -1.112 3.501 0.774 1.00 54.42 H new ATOM 0 HB VAL A 5 -1.223 3.270 -2.260 1.00 4.43 H new ATOM 0 HG11 VAL A 5 -3.435 2.197 -1.923 1.00 32.01 H new ATOM 0 HG12 VAL A 5 -2.108 1.252 -1.205 1.00 32.01 H new ATOM 0 HG13 VAL A 5 -3.171 2.229 -0.163 1.00 32.01 H new ATOM 0 HG21 VAL A 5 -3.280 4.671 -2.114 1.00 3.14 H new ATOM 0 HG22 VAL A 5 -2.990 4.892 -0.372 1.00 3.14 H new ATOM 0 HG23 VAL A 5 -1.833 5.543 -1.557 1.00 3.14 H new ATOM 73 N ILE A 6 0.368 1.453 0.872 1.00 72.42 N ATOM 74 CA ILE A 6 1.061 0.164 0.942 1.00 35.12 C ATOM 75 C ILE A 6 0.049 -0.928 0.604 1.00 14.45 C ATOM 76 O ILE A 6 -1.069 -0.905 1.103 1.00 73.25 O ATOM 77 CB ILE A 6 1.678 -0.090 2.371 1.00 34.32 C ATOM 78 CG1 ILE A 6 2.718 1.018 2.725 1.00 75.41 C ATOM 79 CG2 ILE A 6 2.310 -1.503 2.499 1.00 44.53 C ATOM 80 CD1 ILE A 6 3.890 1.113 1.761 1.00 21.54 C ATOM 0 H ILE A 6 -0.001 1.771 1.768 1.00 72.42 H new ATOM 0 HA ILE A 6 1.889 0.160 0.233 1.00 35.12 H new ATOM 0 HB ILE A 6 0.858 -0.044 3.088 1.00 34.32 H new ATOM 0 HG12 ILE A 6 2.208 1.981 2.754 1.00 75.41 H new ATOM 0 HG13 ILE A 6 3.103 0.831 3.728 1.00 75.41 H new ATOM 0 HG21 ILE A 6 2.721 -1.628 3.501 1.00 44.53 H new ATOM 0 HG22 ILE A 6 1.546 -2.260 2.322 1.00 44.53 H new ATOM 0 HG23 ILE A 6 3.107 -1.613 1.764 1.00 44.53 H new ATOM 0 HD11 ILE A 6 4.562 1.908 2.083 1.00 21.54 H new ATOM 0 HD12 ILE A 6 4.428 0.165 1.748 1.00 21.54 H new ATOM 0 HD13 ILE A 6 3.520 1.334 0.760 1.00 21.54 H new ATOM 92 N VAL A 7 0.422 -1.828 -0.303 1.00 32.14 N ATOM 93 CA VAL A 7 -0.372 -3.009 -0.650 1.00 13.32 C ATOM 94 C VAL A 7 0.530 -4.240 -0.530 1.00 73.53 C ATOM 95 O VAL A 7 1.668 -4.232 -1.000 1.00 10.41 O ATOM 96 CB VAL A 7 -0.975 -2.919 -2.102 1.00 64.24 C ATOM 97 CG1 VAL A 7 -1.768 -4.190 -2.455 1.00 51.42 C ATOM 98 CG2 VAL A 7 -1.854 -1.658 -2.268 1.00 55.04 C ATOM 0 H VAL A 7 1.295 -1.759 -0.826 1.00 32.14 H new ATOM 0 HA VAL A 7 -1.217 -3.076 0.035 1.00 13.32 H new ATOM 0 HB VAL A 7 -0.141 -2.839 -2.799 1.00 64.24 H new ATOM 0 HG11 VAL A 7 -2.172 -4.098 -3.463 1.00 51.42 H new ATOM 0 HG12 VAL A 7 -1.108 -5.056 -2.406 1.00 51.42 H new ATOM 0 HG13 VAL A 7 -2.586 -4.317 -1.746 1.00 51.42 H new ATOM 0 HG21 VAL A 7 -2.255 -1.625 -3.281 1.00 55.04 H new ATOM 0 HG22 VAL A 7 -2.676 -1.691 -1.553 1.00 55.04 H new ATOM 0 HG23 VAL A 7 -1.251 -0.768 -2.087 1.00 55.04 H new ATOM 108 N VAL A 8 0.018 -5.271 0.149 1.00 41.42 N ATOM 109 CA VAL A 8 0.690 -6.555 0.335 1.00 45.40 C ATOM 110 C VAL A 8 -0.268 -7.651 -0.146 1.00 44.34 C ATOM 111 O VAL A 8 -1.431 -7.662 0.259 1.00 53.33 O ATOM 112 CB VAL A 8 1.053 -6.792 1.853 1.00 24.35 C ATOM 113 CG1 VAL A 8 1.697 -8.176 2.080 1.00 64.13 C ATOM 114 CG2 VAL A 8 1.957 -5.658 2.399 1.00 34.20 C ATOM 0 H VAL A 8 -0.899 -5.232 0.595 1.00 41.42 H new ATOM 0 HA VAL A 8 1.621 -6.570 -0.232 1.00 45.40 H new ATOM 0 HB VAL A 8 0.118 -6.774 2.413 1.00 24.35 H new ATOM 0 HG11 VAL A 8 1.932 -8.299 3.137 1.00 64.13 H new ATOM 0 HG12 VAL A 8 1.002 -8.956 1.769 1.00 64.13 H new ATOM 0 HG13 VAL A 8 2.613 -8.252 1.494 1.00 64.13 H new ATOM 0 HG21 VAL A 8 2.189 -5.850 3.446 1.00 34.20 H new ATOM 0 HG22 VAL A 8 2.882 -5.621 1.823 1.00 34.20 H new ATOM 0 HG23 VAL A 8 1.437 -4.704 2.312 1.00 34.20 H new ATOM 124 N SER A 9 0.196 -8.523 -1.044 1.00 52.42 N ATOM 125 CA SER A 9 -0.550 -9.718 -1.457 1.00 11.51 C ATOM 126 C SER A 9 0.433 -10.866 -1.688 1.00 44.24 C ATOM 127 O SER A 9 1.539 -10.639 -2.175 1.00 54.12 O ATOM 128 CB SER A 9 -1.379 -9.456 -2.734 1.00 10.33 C ATOM 129 OG SER A 9 -2.286 -8.373 -2.572 1.00 31.13 O ATOM 0 H SER A 9 1.100 -8.422 -1.507 1.00 52.42 H new ATOM 0 HA SER A 9 -1.250 -9.983 -0.664 1.00 11.51 H new ATOM 0 HB2 SER A 9 -0.706 -9.243 -3.565 1.00 10.33 H new ATOM 0 HB3 SER A 9 -1.934 -10.357 -2.996 1.00 10.33 H new ATOM 0 HG SER A 9 -2.672 -8.137 -3.441 1.00 31.13 H new ATOM 135 N ARG A 10 0.021 -12.093 -1.338 1.00 52.22 N ATOM 136 CA ARG A 10 0.855 -13.305 -1.522 1.00 22.41 C ATOM 137 C ARG A 10 1.079 -13.627 -3.006 1.00 70.03 C ATOM 138 O ARG A 10 2.046 -14.301 -3.360 1.00 60.35 O ATOM 139 CB ARG A 10 0.197 -14.524 -0.832 1.00 24.33 C ATOM 140 CG ARG A 10 -1.178 -14.948 -1.412 1.00 2.31 C ATOM 141 CD ARG A 10 -1.811 -16.133 -0.658 1.00 74.22 C ATOM 142 NE ARG A 10 -0.997 -17.373 -0.728 1.00 52.33 N ATOM 143 CZ ARG A 10 -0.505 -18.042 0.338 1.00 30.51 C ATOM 144 NH1 ARG A 10 -0.710 -17.607 1.576 1.00 21.40 N ATOM 145 NH2 ARG A 10 0.188 -19.156 0.158 1.00 70.43 N ATOM 0 H ARG A 10 -0.891 -12.280 -0.922 1.00 52.22 H new ATOM 0 HA ARG A 10 1.823 -13.098 -1.066 1.00 22.41 H new ATOM 0 HB2 ARG A 10 0.879 -15.372 -0.900 1.00 24.33 H new ATOM 0 HB3 ARG A 10 0.073 -14.299 0.227 1.00 24.33 H new ATOM 0 HG2 ARG A 10 -1.859 -14.097 -1.377 1.00 2.31 H new ATOM 0 HG3 ARG A 10 -1.056 -15.216 -2.462 1.00 2.31 H new ATOM 0 HD2 ARG A 10 -1.952 -15.857 0.387 1.00 74.22 H new ATOM 0 HD3 ARG A 10 -2.800 -16.332 -1.071 1.00 74.22 H new ATOM 0 HE ARG A 10 -0.793 -17.749 -1.654 1.00 52.33 H new ATOM 0 HH11 ARG A 10 -1.247 -16.754 1.735 1.00 21.40 H new ATOM 0 HH12 ARG A 10 -0.331 -18.126 2.368 1.00 21.40 H new ATOM 0 HH21 ARG A 10 0.350 -19.509 -0.785 1.00 70.43 H new ATOM 0 HH22 ARG A 10 0.559 -19.661 0.963 1.00 70.43 H new ATOM 159 N ASP A 11 0.180 -13.139 -3.865 1.00 71.01 N ATOM 160 CA ASP A 11 0.122 -13.544 -5.273 1.00 2.34 C ATOM 161 C ASP A 11 0.294 -12.325 -6.196 1.00 24.13 C ATOM 162 O ASP A 11 -0.167 -11.222 -5.877 1.00 34.33 O ATOM 163 CB ASP A 11 -1.225 -14.266 -5.528 1.00 71.42 C ATOM 164 CG ASP A 11 -1.243 -15.056 -6.840 1.00 15.00 C ATOM 165 OD1 ASP A 11 -0.848 -16.241 -6.839 1.00 24.11 O ATOM 166 OD2 ASP A 11 -1.626 -14.492 -7.878 1.00 35.12 O ATOM 0 H ASP A 11 -0.528 -12.452 -3.605 1.00 71.01 H new ATOM 0 HA ASP A 11 0.939 -14.230 -5.496 1.00 2.34 H new ATOM 0 HB2 ASP A 11 -1.430 -14.944 -4.699 1.00 71.42 H new ATOM 0 HB3 ASP A 11 -2.028 -13.529 -5.543 1.00 71.42 H new ATOM 171 N GLU A 12 0.937 -12.569 -7.347 1.00 21.43 N ATOM 172 CA GLU A 12 1.320 -11.536 -8.333 1.00 44.21 C ATOM 173 C GLU A 12 0.090 -11.034 -9.115 1.00 73.34 C ATOM 174 O GLU A 12 -0.009 -9.845 -9.443 1.00 22.53 O ATOM 175 CB GLU A 12 2.362 -12.145 -9.310 1.00 31.25 C ATOM 176 CG GLU A 12 3.559 -12.823 -8.611 1.00 65.22 C ATOM 177 CD GLU A 12 4.509 -13.547 -9.576 1.00 70.53 C ATOM 178 OE1 GLU A 12 4.164 -14.658 -10.034 1.00 43.24 O ATOM 179 OE2 GLU A 12 5.608 -13.024 -9.864 1.00 44.45 O ATOM 0 H GLU A 12 1.213 -13.509 -7.629 1.00 21.43 H new ATOM 0 HA GLU A 12 1.750 -10.682 -7.809 1.00 44.21 H new ATOM 0 HB2 GLU A 12 1.864 -12.877 -9.946 1.00 31.25 H new ATOM 0 HB3 GLU A 12 2.735 -11.357 -9.964 1.00 31.25 H new ATOM 0 HG2 GLU A 12 4.121 -12.069 -8.060 1.00 65.22 H new ATOM 0 HG3 GLU A 12 3.183 -13.539 -7.880 1.00 65.22 H new ATOM 186 N ARG A 13 -0.845 -11.970 -9.386 1.00 41.24 N ATOM 187 CA ARG A 13 -2.058 -11.715 -10.192 1.00 44.54 C ATOM 188 C ARG A 13 -3.042 -10.787 -9.456 1.00 73.11 C ATOM 189 O ARG A 13 -3.786 -10.032 -10.095 1.00 34.31 O ATOM 190 CB ARG A 13 -2.745 -13.050 -10.570 1.00 62.31 C ATOM 191 CG ARG A 13 -1.857 -14.024 -11.372 1.00 33.12 C ATOM 192 CD ARG A 13 -2.549 -15.375 -11.615 1.00 64.25 C ATOM 193 NE ARG A 13 -3.810 -15.232 -12.374 1.00 43.42 N ATOM 194 CZ ARG A 13 -3.997 -15.609 -13.652 1.00 14.35 C ATOM 195 NH1 ARG A 13 -3.007 -16.154 -14.359 1.00 33.42 N ATOM 196 NH2 ARG A 13 -5.185 -15.442 -14.217 1.00 25.14 N ATOM 0 H ARG A 13 -0.779 -12.930 -9.049 1.00 41.24 H new ATOM 0 HA ARG A 13 -1.750 -11.208 -11.106 1.00 44.54 H new ATOM 0 HB2 ARG A 13 -3.073 -13.546 -9.657 1.00 62.31 H new ATOM 0 HB3 ARG A 13 -3.640 -12.831 -11.153 1.00 62.31 H new ATOM 0 HG2 ARG A 13 -1.599 -13.573 -12.330 1.00 33.12 H new ATOM 0 HG3 ARG A 13 -0.923 -14.188 -10.835 1.00 33.12 H new ATOM 0 HD2 ARG A 13 -1.873 -16.034 -12.159 1.00 64.25 H new ATOM 0 HD3 ARG A 13 -2.756 -15.852 -10.657 1.00 64.25 H new ATOM 0 HE ARG A 13 -4.603 -14.813 -11.889 1.00 43.42 H new ATOM 0 HH11 ARG A 13 -2.091 -16.291 -13.932 1.00 33.42 H new ATOM 0 HH12 ARG A 13 -3.166 -16.434 -15.327 1.00 33.42 H new ATOM 0 HH21 ARG A 13 -5.950 -15.030 -13.683 1.00 25.14 H new ATOM 0 HH22 ARG A 13 -5.334 -15.726 -15.185 1.00 25.14 H new ATOM 210 N ILE A 14 -3.032 -10.852 -8.112 1.00 72.52 N ATOM 211 CA ILE A 14 -3.809 -9.926 -7.274 1.00 4.12 C ATOM 212 C ILE A 14 -3.261 -8.492 -7.477 1.00 33.33 C ATOM 213 O ILE A 14 -4.010 -7.582 -7.831 1.00 54.20 O ATOM 214 CB ILE A 14 -3.749 -10.307 -5.743 1.00 3.31 C ATOM 215 CG1 ILE A 14 -4.135 -11.801 -5.504 1.00 25.24 C ATOM 216 CG2 ILE A 14 -4.664 -9.371 -4.915 1.00 62.42 C ATOM 217 CD1 ILE A 14 -3.997 -12.261 -4.054 1.00 62.24 C ATOM 0 H ILE A 14 -2.493 -11.538 -7.584 1.00 72.52 H new ATOM 0 HA ILE A 14 -4.854 -9.989 -7.579 1.00 4.12 H new ATOM 0 HB ILE A 14 -2.719 -10.176 -5.411 1.00 3.31 H new ATOM 0 HG12 ILE A 14 -5.165 -11.954 -5.825 1.00 25.24 H new ATOM 0 HG13 ILE A 14 -3.508 -12.432 -6.134 1.00 25.24 H new ATOM 0 HG21 ILE A 14 -4.610 -9.648 -3.862 1.00 62.42 H new ATOM 0 HG22 ILE A 14 -4.334 -8.339 -5.036 1.00 62.42 H new ATOM 0 HG23 ILE A 14 -5.692 -9.466 -5.263 1.00 62.42 H new ATOM 0 HD11 ILE A 14 -4.285 -13.309 -3.976 1.00 62.24 H new ATOM 0 HD12 ILE A 14 -2.962 -12.144 -3.732 1.00 62.24 H new ATOM 0 HD13 ILE A 14 -4.645 -11.659 -3.418 1.00 62.24 H new ATOM 229 N LEU A 15 -1.923 -8.356 -7.328 1.00 21.22 N ATOM 230 CA LEU A 15 -1.203 -7.060 -7.394 1.00 50.21 C ATOM 231 C LEU A 15 -1.409 -6.336 -8.748 1.00 10.33 C ATOM 232 O LEU A 15 -1.514 -5.106 -8.786 1.00 74.40 O ATOM 233 CB LEU A 15 0.321 -7.273 -7.146 1.00 33.13 C ATOM 234 CG LEU A 15 0.730 -7.833 -5.746 1.00 41.32 C ATOM 235 CD1 LEU A 15 2.253 -8.087 -5.670 1.00 32.11 C ATOM 236 CD2 LEU A 15 0.262 -6.899 -4.609 1.00 14.35 C ATOM 0 H LEU A 15 -1.306 -9.150 -7.157 1.00 21.22 H new ATOM 0 HA LEU A 15 -1.622 -6.427 -6.612 1.00 50.21 H new ATOM 0 HB2 LEU A 15 0.698 -7.954 -7.909 1.00 33.13 H new ATOM 0 HB3 LEU A 15 0.827 -6.319 -7.292 1.00 33.13 H new ATOM 0 HG LEU A 15 0.226 -8.791 -5.613 1.00 41.32 H new ATOM 0 HD11 LEU A 15 2.508 -8.476 -4.684 1.00 32.11 H new ATOM 0 HD12 LEU A 15 2.539 -8.812 -6.432 1.00 32.11 H new ATOM 0 HD13 LEU A 15 2.787 -7.152 -5.840 1.00 32.11 H new ATOM 0 HD21 LEU A 15 0.562 -7.317 -3.648 1.00 14.35 H new ATOM 0 HD22 LEU A 15 0.716 -5.916 -4.735 1.00 14.35 H new ATOM 0 HD23 LEU A 15 -0.823 -6.803 -4.640 1.00 14.35 H new ATOM 248 N GLU A 16 -1.470 -7.114 -9.849 1.00 12.13 N ATOM 249 CA GLU A 16 -1.584 -6.556 -11.217 1.00 52.35 C ATOM 250 C GLU A 16 -3.029 -6.085 -11.530 1.00 44.11 C ATOM 251 O GLU A 16 -3.217 -5.225 -12.394 1.00 3.03 O ATOM 252 CB GLU A 16 -1.095 -7.573 -12.281 1.00 2.15 C ATOM 253 CG GLU A 16 -1.985 -8.811 -12.442 1.00 62.55 C ATOM 254 CD GLU A 16 -1.494 -9.789 -13.520 1.00 75.11 C ATOM 255 OE1 GLU A 16 -1.855 -9.628 -14.705 1.00 45.25 O ATOM 256 OE2 GLU A 16 -0.732 -10.717 -13.193 1.00 42.15 O ATOM 0 H GLU A 16 -1.442 -8.133 -9.819 1.00 12.13 H new ATOM 0 HA GLU A 16 -0.936 -5.680 -11.260 1.00 52.35 H new ATOM 0 HB2 GLU A 16 -1.025 -7.066 -13.243 1.00 2.15 H new ATOM 0 HB3 GLU A 16 -0.088 -7.898 -12.017 1.00 2.15 H new ATOM 0 HG2 GLU A 16 -2.040 -9.334 -11.487 1.00 62.55 H new ATOM 0 HG3 GLU A 16 -2.997 -8.490 -12.689 1.00 62.55 H new ATOM 263 N GLU A 17 -4.045 -6.666 -10.840 1.00 61.04 N ATOM 264 CA GLU A 17 -5.443 -6.180 -10.937 1.00 3.42 C ATOM 265 C GLU A 17 -5.615 -4.899 -10.117 1.00 61.11 C ATOM 266 O GLU A 17 -6.265 -3.949 -10.558 1.00 72.40 O ATOM 267 CB GLU A 17 -6.470 -7.237 -10.468 1.00 45.02 C ATOM 268 CG GLU A 17 -6.552 -8.492 -11.351 1.00 73.10 C ATOM 269 CD GLU A 17 -7.851 -9.270 -11.128 1.00 60.11 C ATOM 270 OE1 GLU A 17 -8.813 -9.084 -11.903 1.00 20.52 O ATOM 271 OE2 GLU A 17 -7.939 -10.041 -10.160 1.00 24.01 O ATOM 0 H GLU A 17 -3.922 -7.464 -10.217 1.00 61.04 H new ATOM 0 HA GLU A 17 -5.636 -5.977 -11.990 1.00 3.42 H new ATOM 0 HB2 GLU A 17 -6.219 -7.541 -9.452 1.00 45.02 H new ATOM 0 HB3 GLU A 17 -7.455 -6.773 -10.428 1.00 45.02 H new ATOM 0 HG2 GLU A 17 -6.479 -8.202 -12.399 1.00 73.10 H new ATOM 0 HG3 GLU A 17 -5.701 -9.140 -11.139 1.00 73.10 H new ATOM 278 N LEU A 18 -5.007 -4.903 -8.919 1.00 41.41 N ATOM 279 CA LEU A 18 -4.966 -3.742 -8.011 1.00 4.32 C ATOM 280 C LEU A 18 -4.272 -2.546 -8.691 1.00 31.13 C ATOM 281 O LEU A 18 -4.641 -1.391 -8.468 1.00 12.52 O ATOM 282 CB LEU A 18 -4.230 -4.135 -6.703 1.00 3.12 C ATOM 283 CG LEU A 18 -4.889 -5.277 -5.877 1.00 42.01 C ATOM 284 CD1 LEU A 18 -4.028 -5.678 -4.670 1.00 72.54 C ATOM 285 CD2 LEU A 18 -6.298 -4.886 -5.434 1.00 70.42 C ATOM 0 H LEU A 18 -4.524 -5.722 -8.549 1.00 41.41 H new ATOM 0 HA LEU A 18 -5.985 -3.441 -7.768 1.00 4.32 H new ATOM 0 HB2 LEU A 18 -3.213 -4.434 -6.956 1.00 3.12 H new ATOM 0 HB3 LEU A 18 -4.154 -3.251 -6.070 1.00 3.12 H new ATOM 0 HG LEU A 18 -4.963 -6.148 -6.528 1.00 42.01 H new ATOM 0 HD11 LEU A 18 -4.523 -6.478 -4.120 1.00 72.54 H new ATOM 0 HD12 LEU A 18 -3.054 -6.025 -5.017 1.00 72.54 H new ATOM 0 HD13 LEU A 18 -3.894 -4.816 -4.016 1.00 72.54 H new ATOM 0 HD21 LEU A 18 -6.738 -5.701 -4.858 1.00 70.42 H new ATOM 0 HD22 LEU A 18 -6.249 -3.990 -4.816 1.00 70.42 H new ATOM 0 HD23 LEU A 18 -6.914 -4.688 -6.312 1.00 70.42 H new ATOM 297 N LEU A 19 -3.278 -2.876 -9.541 1.00 31.33 N ATOM 298 CA LEU A 19 -2.557 -1.916 -10.391 1.00 52.23 C ATOM 299 C LEU A 19 -3.537 -1.166 -11.314 1.00 64.23 C ATOM 300 O LEU A 19 -3.538 0.065 -11.350 1.00 21.44 O ATOM 301 CB LEU A 19 -1.496 -2.668 -11.234 1.00 71.22 C ATOM 302 CG LEU A 19 -0.692 -1.815 -12.260 1.00 12.31 C ATOM 303 CD1 LEU A 19 0.118 -0.720 -11.549 1.00 53.12 C ATOM 304 CD2 LEU A 19 0.205 -2.707 -13.146 1.00 75.04 C ATOM 0 H LEU A 19 -2.951 -3.835 -9.655 1.00 31.33 H new ATOM 0 HA LEU A 19 -2.060 -1.183 -9.755 1.00 52.23 H new ATOM 0 HB2 LEU A 19 -0.788 -3.137 -10.551 1.00 71.22 H new ATOM 0 HB3 LEU A 19 -1.997 -3.471 -11.775 1.00 71.22 H new ATOM 0 HG LEU A 19 -1.404 -1.319 -12.919 1.00 12.31 H new ATOM 0 HD11 LEU A 19 0.670 -0.139 -12.287 1.00 53.12 H new ATOM 0 HD12 LEU A 19 -0.559 -0.063 -11.003 1.00 53.12 H new ATOM 0 HD13 LEU A 19 0.818 -1.180 -10.852 1.00 53.12 H new ATOM 0 HD21 LEU A 19 0.754 -2.084 -13.852 1.00 75.04 H new ATOM 0 HD22 LEU A 19 0.910 -3.251 -12.518 1.00 75.04 H new ATOM 0 HD23 LEU A 19 -0.415 -3.416 -13.694 1.00 75.04 H new ATOM 316 N GLU A 20 -4.379 -1.952 -12.028 1.00 53.51 N ATOM 317 CA GLU A 20 -5.386 -1.434 -12.981 1.00 61.02 C ATOM 318 C GLU A 20 -6.355 -0.458 -12.287 1.00 21.22 C ATOM 319 O GLU A 20 -6.706 0.574 -12.853 1.00 1.42 O ATOM 320 CB GLU A 20 -6.185 -2.602 -13.624 1.00 31.34 C ATOM 321 CG GLU A 20 -5.324 -3.618 -14.400 1.00 54.31 C ATOM 322 CD GLU A 20 -6.147 -4.806 -14.915 1.00 21.21 C ATOM 323 OE1 GLU A 20 -6.340 -4.941 -16.142 1.00 15.44 O ATOM 324 OE2 GLU A 20 -6.631 -5.597 -14.085 1.00 31.53 O ATOM 0 H GLU A 20 -4.377 -2.970 -11.957 1.00 53.51 H new ATOM 0 HA GLU A 20 -4.853 -0.895 -13.765 1.00 61.02 H new ATOM 0 HB2 GLU A 20 -6.727 -3.130 -12.839 1.00 31.34 H new ATOM 0 HB3 GLU A 20 -6.931 -2.185 -14.301 1.00 31.34 H new ATOM 0 HG2 GLU A 20 -4.846 -3.118 -15.242 1.00 54.31 H new ATOM 0 HG3 GLU A 20 -4.527 -3.984 -13.753 1.00 54.31 H new ATOM 331 N VAL A 21 -6.731 -0.793 -11.040 1.00 41.23 N ATOM 332 CA VAL A 21 -7.691 -0.006 -10.241 1.00 12.40 C ATOM 333 C VAL A 21 -7.102 1.381 -9.866 1.00 12.12 C ATOM 334 O VAL A 21 -7.838 2.380 -9.827 1.00 70.22 O ATOM 335 CB VAL A 21 -8.135 -0.796 -8.952 1.00 43.10 C ATOM 336 CG1 VAL A 21 -9.179 -0.009 -8.133 1.00 12.25 C ATOM 337 CG2 VAL A 21 -8.682 -2.198 -9.313 1.00 42.13 C ATOM 0 H VAL A 21 -6.378 -1.618 -10.556 1.00 41.23 H new ATOM 0 HA VAL A 21 -8.576 0.161 -10.855 1.00 12.40 H new ATOM 0 HB VAL A 21 -7.246 -0.921 -8.334 1.00 43.10 H new ATOM 0 HG11 VAL A 21 -9.461 -0.586 -7.252 1.00 12.25 H new ATOM 0 HG12 VAL A 21 -8.753 0.945 -7.821 1.00 12.25 H new ATOM 0 HG13 VAL A 21 -10.062 0.171 -8.746 1.00 12.25 H new ATOM 0 HG21 VAL A 21 -8.980 -2.718 -8.402 1.00 42.13 H new ATOM 0 HG22 VAL A 21 -9.545 -2.094 -9.970 1.00 42.13 H new ATOM 0 HG23 VAL A 21 -7.907 -2.771 -9.821 1.00 42.13 H new ATOM 347 N VAL A 22 -5.765 1.432 -9.617 1.00 53.11 N ATOM 348 CA VAL A 22 -5.048 2.712 -9.388 1.00 72.21 C ATOM 349 C VAL A 22 -5.115 3.572 -10.658 1.00 32.40 C ATOM 350 O VAL A 22 -5.500 4.735 -10.604 1.00 22.23 O ATOM 351 CB VAL A 22 -3.528 2.519 -9.002 1.00 75.15 C ATOM 352 CG1 VAL A 22 -2.850 3.882 -8.707 1.00 61.41 C ATOM 353 CG2 VAL A 22 -3.362 1.565 -7.809 1.00 33.43 C ATOM 0 H VAL A 22 -5.168 0.606 -9.570 1.00 53.11 H new ATOM 0 HA VAL A 22 -5.545 3.196 -8.547 1.00 72.21 H new ATOM 0 HB VAL A 22 -3.032 2.067 -9.861 1.00 75.15 H new ATOM 0 HG11 VAL A 22 -1.805 3.719 -8.444 1.00 61.41 H new ATOM 0 HG12 VAL A 22 -2.907 4.516 -9.592 1.00 61.41 H new ATOM 0 HG13 VAL A 22 -3.361 4.370 -7.877 1.00 61.41 H new ATOM 0 HG21 VAL A 22 -2.303 1.458 -7.574 1.00 33.43 H new ATOM 0 HG22 VAL A 22 -3.887 1.970 -6.944 1.00 33.43 H new ATOM 0 HG23 VAL A 22 -3.778 0.590 -8.062 1.00 33.43 H new ATOM 363 N LEU A 23 -4.773 2.935 -11.796 1.00 61.02 N ATOM 364 CA LEU A 23 -4.690 3.591 -13.117 1.00 24.24 C ATOM 365 C LEU A 23 -6.044 4.195 -13.534 1.00 70.45 C ATOM 366 O LEU A 23 -6.090 5.293 -14.097 1.00 42.33 O ATOM 367 CB LEU A 23 -4.195 2.572 -14.186 1.00 13.55 C ATOM 368 CG LEU A 23 -2.812 1.900 -13.902 1.00 52.11 C ATOM 369 CD1 LEU A 23 -2.435 0.891 -15.005 1.00 30.04 C ATOM 370 CD2 LEU A 23 -1.704 2.946 -13.697 1.00 32.02 C ATOM 0 H LEU A 23 -4.544 1.941 -11.824 1.00 61.02 H new ATOM 0 HA LEU A 23 -3.974 4.410 -13.044 1.00 24.24 H new ATOM 0 HB2 LEU A 23 -4.945 1.787 -14.286 1.00 13.55 H new ATOM 0 HB3 LEU A 23 -4.138 3.083 -15.147 1.00 13.55 H new ATOM 0 HG LEU A 23 -2.911 1.344 -12.970 1.00 52.11 H new ATOM 0 HD11 LEU A 23 -1.468 0.444 -14.774 1.00 30.04 H new ATOM 0 HD12 LEU A 23 -3.193 0.109 -15.058 1.00 30.04 H new ATOM 0 HD13 LEU A 23 -2.377 1.405 -15.964 1.00 30.04 H new ATOM 0 HD21 LEU A 23 -0.758 2.441 -13.502 1.00 32.02 H new ATOM 0 HD22 LEU A 23 -1.610 3.558 -14.594 1.00 32.02 H new ATOM 0 HD23 LEU A 23 -1.957 3.582 -12.849 1.00 32.02 H new ATOM 382 N LYS A 24 -7.139 3.466 -13.226 1.00 60.20 N ATOM 383 CA LYS A 24 -8.514 3.891 -13.548 1.00 24.25 C ATOM 384 C LYS A 24 -8.885 5.175 -12.785 1.00 41.34 C ATOM 385 O LYS A 24 -9.356 6.150 -13.384 1.00 45.24 O ATOM 386 CB LYS A 24 -9.537 2.756 -13.217 1.00 74.04 C ATOM 387 CG LYS A 24 -9.457 1.510 -14.133 1.00 70.31 C ATOM 388 CD LYS A 24 -9.781 1.830 -15.610 1.00 3.54 C ATOM 389 CE LYS A 24 -9.726 0.590 -16.520 1.00 44.41 C ATOM 390 NZ LYS A 24 -10.069 0.924 -17.934 1.00 21.54 N ATOM 0 H LYS A 24 -7.092 2.567 -12.747 1.00 60.20 H new ATOM 0 HA LYS A 24 -8.557 4.099 -14.617 1.00 24.25 H new ATOM 0 HB2 LYS A 24 -9.383 2.439 -12.185 1.00 74.04 H new ATOM 0 HB3 LYS A 24 -10.544 3.168 -13.277 1.00 74.04 H new ATOM 0 HG2 LYS A 24 -8.457 1.082 -14.070 1.00 70.31 H new ATOM 0 HG3 LYS A 24 -10.151 0.752 -13.769 1.00 70.31 H new ATOM 0 HD2 LYS A 24 -10.775 2.274 -15.670 1.00 3.54 H new ATOM 0 HD3 LYS A 24 -9.076 2.575 -15.978 1.00 3.54 H new ATOM 0 HE2 LYS A 24 -8.727 0.155 -16.481 1.00 44.41 H new ATOM 0 HE3 LYS A 24 -10.418 -0.165 -16.147 1.00 44.41 H new ATOM 0 HZ1 LYS A 24 -10.021 0.063 -18.516 1.00 21.54 H new ATOM 0 HZ2 LYS A 24 -11.032 1.316 -17.974 1.00 21.54 H new ATOM 0 HZ3 LYS A 24 -9.394 1.626 -18.298 1.00 21.54 H new ATOM 404 N SER A 25 -8.634 5.163 -11.468 1.00 3.54 N ATOM 405 CA SER A 25 -9.046 6.243 -10.561 1.00 3.21 C ATOM 406 C SER A 25 -8.161 7.493 -10.730 1.00 14.02 C ATOM 407 O SER A 25 -8.666 8.585 -11.019 1.00 32.10 O ATOM 408 CB SER A 25 -9.004 5.733 -9.110 1.00 11.31 C ATOM 409 OG SER A 25 -9.744 4.528 -8.971 1.00 23.24 O ATOM 0 H SER A 25 -8.139 4.403 -11.001 1.00 3.54 H new ATOM 0 HA SER A 25 -10.065 6.538 -10.811 1.00 3.21 H new ATOM 0 HB2 SER A 25 -7.970 5.565 -8.810 1.00 11.31 H new ATOM 0 HB3 SER A 25 -9.411 6.492 -8.442 1.00 11.31 H new ATOM 0 HG SER A 25 -9.185 3.768 -9.236 1.00 23.24 H new ATOM 415 N ASP A 26 -6.841 7.313 -10.567 1.00 31.24 N ATOM 416 CA ASP A 26 -5.858 8.405 -10.670 1.00 24.53 C ATOM 417 C ASP A 26 -4.535 7.857 -11.268 1.00 75.43 C ATOM 418 O ASP A 26 -3.805 7.130 -10.583 1.00 2.33 O ATOM 419 CB ASP A 26 -5.616 9.045 -9.271 1.00 72.31 C ATOM 420 CG ASP A 26 -4.893 10.403 -9.354 1.00 13.14 C ATOM 421 OD1 ASP A 26 -3.668 10.434 -9.577 1.00 40.04 O ATOM 422 OD2 ASP A 26 -5.553 11.451 -9.214 1.00 55.04 O ATOM 0 H ASP A 26 -6.424 6.406 -10.360 1.00 31.24 H new ATOM 0 HA ASP A 26 -6.244 9.181 -11.331 1.00 24.53 H new ATOM 0 HB2 ASP A 26 -6.573 9.178 -8.767 1.00 72.31 H new ATOM 0 HB3 ASP A 26 -5.026 8.361 -8.660 1.00 72.31 H new ATOM 427 N PRO A 27 -4.217 8.174 -12.566 1.00 44.31 N ATOM 428 CA PRO A 27 -2.988 7.675 -13.246 1.00 71.03 C ATOM 429 C PRO A 27 -1.707 8.461 -12.869 1.00 51.52 C ATOM 430 O PRO A 27 -0.597 8.054 -13.244 1.00 40.42 O ATOM 431 CB PRO A 27 -3.344 7.856 -14.744 1.00 50.34 C ATOM 432 CG PRO A 27 -4.231 9.068 -14.771 1.00 12.24 C ATOM 433 CD PRO A 27 -5.036 9.025 -13.479 1.00 0.33 C ATOM 0 HA PRO A 27 -2.745 6.651 -12.961 1.00 71.03 H new ATOM 0 HB2 PRO A 27 -2.450 8.004 -15.350 1.00 50.34 H new ATOM 0 HB3 PRO A 27 -3.856 6.979 -15.140 1.00 50.34 H new ATOM 0 HG2 PRO A 27 -3.641 9.982 -14.833 1.00 12.24 H new ATOM 0 HG3 PRO A 27 -4.888 9.052 -15.641 1.00 12.24 H new ATOM 0 HD2 PRO A 27 -5.183 10.024 -13.068 1.00 0.33 H new ATOM 0 HD3 PRO A 27 -6.026 8.598 -13.640 1.00 0.33 H new ATOM 441 N ASN A 28 -1.870 9.583 -12.128 1.00 73.02 N ATOM 442 CA ASN A 28 -0.738 10.453 -11.712 1.00 3.01 C ATOM 443 C ASN A 28 0.043 9.790 -10.571 1.00 60.33 C ATOM 444 O ASN A 28 1.247 10.031 -10.403 1.00 25.24 O ATOM 445 CB ASN A 28 -1.238 11.854 -11.248 1.00 3.33 C ATOM 446 CG ASN A 28 -2.177 12.520 -12.252 1.00 3.20 C ATOM 447 OD1 ASN A 28 -1.747 13.240 -13.151 1.00 63.20 O ATOM 448 ND2 ASN A 28 -3.473 12.293 -12.092 1.00 44.30 N ATOM 0 H ASN A 28 -2.780 9.910 -11.803 1.00 73.02 H new ATOM 0 HA ASN A 28 -0.088 10.587 -12.577 1.00 3.01 H new ATOM 0 HB2 ASN A 28 -1.752 11.751 -10.292 1.00 3.33 H new ATOM 0 HB3 ASN A 28 -0.378 12.502 -11.079 1.00 3.33 H new ATOM 0 HD21 ASN A 28 -4.148 12.721 -12.726 1.00 44.30 H new ATOM 0 HD22 ASN A 28 -3.796 11.690 -11.335 1.00 44.30 H new ATOM 455 N VAL A 29 -0.678 8.965 -9.789 1.00 40.34 N ATOM 456 CA VAL A 29 -0.104 8.179 -8.693 1.00 74.22 C ATOM 457 C VAL A 29 0.970 7.212 -9.229 1.00 34.32 C ATOM 458 O VAL A 29 0.675 6.367 -10.078 1.00 12.24 O ATOM 459 CB VAL A 29 -1.205 7.348 -7.935 1.00 34.10 C ATOM 460 CG1 VAL A 29 -0.601 6.557 -6.761 1.00 72.12 C ATOM 461 CG2 VAL A 29 -2.353 8.245 -7.442 1.00 12.51 C ATOM 0 H VAL A 29 -1.682 8.828 -9.905 1.00 40.34 H new ATOM 0 HA VAL A 29 0.345 8.884 -7.994 1.00 74.22 H new ATOM 0 HB VAL A 29 -1.616 6.637 -8.651 1.00 34.10 H new ATOM 0 HG11 VAL A 29 -1.388 5.994 -6.259 1.00 72.12 H new ATOM 0 HG12 VAL A 29 0.155 5.868 -7.137 1.00 72.12 H new ATOM 0 HG13 VAL A 29 -0.142 7.248 -6.054 1.00 72.12 H new ATOM 0 HG21 VAL A 29 -3.094 7.636 -6.924 1.00 12.51 H new ATOM 0 HG22 VAL A 29 -1.959 8.997 -6.759 1.00 12.51 H new ATOM 0 HG23 VAL A 29 -2.821 8.738 -8.294 1.00 12.51 H new ATOM 471 N LYS A 30 2.206 7.372 -8.740 1.00 61.35 N ATOM 472 CA LYS A 30 3.333 6.494 -9.084 1.00 61.31 C ATOM 473 C LYS A 30 3.055 5.069 -8.556 1.00 4.03 C ATOM 474 O LYS A 30 2.667 4.906 -7.415 1.00 35.20 O ATOM 475 CB LYS A 30 4.633 7.084 -8.473 1.00 12.21 C ATOM 476 CG LYS A 30 5.916 6.247 -8.677 1.00 3.33 C ATOM 477 CD LYS A 30 6.260 6.037 -10.165 1.00 54.43 C ATOM 478 CE LYS A 30 7.551 5.240 -10.357 1.00 32.23 C ATOM 479 NZ LYS A 30 7.482 3.907 -9.701 1.00 21.30 N ATOM 0 H LYS A 30 2.454 8.118 -8.091 1.00 61.35 H new ATOM 0 HA LYS A 30 3.455 6.433 -10.165 1.00 61.31 H new ATOM 0 HB2 LYS A 30 4.796 8.073 -8.901 1.00 12.21 H new ATOM 0 HB3 LYS A 30 4.478 7.221 -7.403 1.00 12.21 H new ATOM 0 HG2 LYS A 30 6.751 6.743 -8.182 1.00 3.33 H new ATOM 0 HG3 LYS A 30 5.792 5.276 -8.197 1.00 3.33 H new ATOM 0 HD2 LYS A 30 5.438 5.516 -10.655 1.00 54.43 H new ATOM 0 HD3 LYS A 30 6.359 7.007 -10.653 1.00 54.43 H new ATOM 0 HE2 LYS A 30 7.743 5.111 -11.422 1.00 32.23 H new ATOM 0 HE3 LYS A 30 8.390 5.803 -9.948 1.00 32.23 H new ATOM 0 HZ1 LYS A 30 8.190 3.857 -8.941 1.00 21.30 H new ATOM 0 HZ2 LYS A 30 6.533 3.766 -9.300 1.00 21.30 H new ATOM 0 HZ3 LYS A 30 7.675 3.164 -10.403 1.00 21.30 H new ATOM 493 N THR A 31 3.217 4.045 -9.399 1.00 51.41 N ATOM 494 CA THR A 31 2.960 2.646 -9.010 1.00 25.42 C ATOM 495 C THR A 31 4.244 1.819 -9.122 1.00 2.31 C ATOM 496 O THR A 31 5.070 2.055 -10.013 1.00 61.33 O ATOM 497 CB THR A 31 1.830 2.015 -9.873 1.00 23.55 C ATOM 498 OG1 THR A 31 2.141 2.148 -11.269 1.00 35.01 O ATOM 499 CG2 THR A 31 0.458 2.653 -9.589 1.00 70.32 C ATOM 0 H THR A 31 3.527 4.156 -10.364 1.00 51.41 H new ATOM 0 HA THR A 31 2.627 2.642 -7.972 1.00 25.42 H new ATOM 0 HB THR A 31 1.770 0.960 -9.604 1.00 23.55 H new ATOM 0 HG1 THR A 31 1.360 1.894 -11.804 1.00 35.01 H new ATOM 0 HG21 THR A 31 -0.299 2.181 -10.214 1.00 70.32 H new ATOM 0 HG22 THR A 31 0.201 2.512 -8.539 1.00 70.32 H new ATOM 0 HG23 THR A 31 0.499 3.719 -9.812 1.00 70.32 H new ATOM 507 N VAL A 32 4.413 0.882 -8.167 1.00 62.44 N ATOM 508 CA VAL A 32 5.609 0.023 -8.033 1.00 53.03 C ATOM 509 C VAL A 32 5.149 -1.390 -7.663 1.00 15.13 C ATOM 510 O VAL A 32 4.443 -1.539 -6.677 1.00 11.13 O ATOM 511 CB VAL A 32 6.569 0.540 -6.886 1.00 34.32 C ATOM 512 CG1 VAL A 32 7.850 -0.330 -6.757 1.00 24.52 C ATOM 513 CG2 VAL A 32 6.914 2.024 -7.083 1.00 63.24 C ATOM 0 H VAL A 32 3.709 0.697 -7.453 1.00 62.44 H new ATOM 0 HA VAL A 32 6.152 0.039 -8.978 1.00 53.03 H new ATOM 0 HB VAL A 32 6.028 0.443 -5.945 1.00 34.32 H new ATOM 0 HG11 VAL A 32 8.478 0.063 -5.957 1.00 24.52 H new ATOM 0 HG12 VAL A 32 7.570 -1.358 -6.526 1.00 24.52 H new ATOM 0 HG13 VAL A 32 8.402 -0.306 -7.697 1.00 24.52 H new ATOM 0 HG21 VAL A 32 7.575 2.353 -6.281 1.00 63.24 H new ATOM 0 HG22 VAL A 32 7.414 2.157 -8.043 1.00 63.24 H new ATOM 0 HG23 VAL A 32 5.999 2.616 -7.065 1.00 63.24 H new ATOM 523 N ARG A 33 5.537 -2.413 -8.441 1.00 2.11 N ATOM 524 CA ARG A 33 5.248 -3.816 -8.100 1.00 60.34 C ATOM 525 C ARG A 33 6.574 -4.547 -7.840 1.00 10.10 C ATOM 526 O ARG A 33 7.236 -5.027 -8.767 1.00 73.24 O ATOM 527 CB ARG A 33 4.414 -4.496 -9.211 1.00 13.22 C ATOM 528 CG ARG A 33 3.944 -5.931 -8.879 1.00 51.43 C ATOM 529 CD ARG A 33 3.201 -6.584 -10.052 1.00 23.01 C ATOM 530 NE ARG A 33 4.052 -6.656 -11.254 1.00 13.25 N ATOM 531 CZ ARG A 33 3.666 -6.366 -12.507 1.00 75.15 C ATOM 532 NH1 ARG A 33 2.415 -5.980 -12.773 1.00 1.53 N ATOM 533 NH2 ARG A 33 4.550 -6.453 -13.490 1.00 13.11 N ATOM 0 H ARG A 33 6.053 -2.295 -9.313 1.00 2.11 H new ATOM 0 HA ARG A 33 4.644 -3.859 -7.194 1.00 60.34 H new ATOM 0 HB2 ARG A 33 3.539 -3.880 -9.418 1.00 13.22 H new ATOM 0 HB3 ARG A 33 5.007 -4.525 -10.125 1.00 13.22 H new ATOM 0 HG2 ARG A 33 4.807 -6.542 -8.613 1.00 51.43 H new ATOM 0 HG3 ARG A 33 3.291 -5.905 -8.007 1.00 51.43 H new ATOM 0 HD2 ARG A 33 2.882 -7.587 -9.769 1.00 23.01 H new ATOM 0 HD3 ARG A 33 2.299 -6.014 -10.276 1.00 23.01 H new ATOM 0 HE ARG A 33 5.019 -6.952 -11.122 1.00 13.25 H new ATOM 0 HH11 ARG A 33 1.734 -5.901 -12.018 1.00 1.53 H new ATOM 0 HH12 ARG A 33 2.141 -5.764 -13.731 1.00 1.53 H new ATOM 0 HH21 ARG A 33 5.509 -6.737 -13.290 1.00 13.11 H new ATOM 0 HH22 ARG A 33 4.272 -6.236 -14.447 1.00 13.11 H new ATOM 547 N THR A 34 6.968 -4.555 -6.571 1.00 11.34 N ATOM 548 CA THR A 34 8.218 -5.157 -6.083 1.00 34.13 C ATOM 549 C THR A 34 7.889 -6.307 -5.109 1.00 35.11 C ATOM 550 O THR A 34 6.719 -6.633 -4.888 1.00 24.04 O ATOM 551 CB THR A 34 9.113 -4.064 -5.392 1.00 1.35 C ATOM 552 OG1 THR A 34 10.374 -4.623 -4.981 1.00 2.11 O ATOM 553 CG2 THR A 34 8.410 -3.415 -4.185 1.00 3.32 C ATOM 0 H THR A 34 6.415 -4.132 -5.826 1.00 11.34 H new ATOM 0 HA THR A 34 8.780 -5.565 -6.923 1.00 34.13 H new ATOM 0 HB THR A 34 9.289 -3.285 -6.133 1.00 1.35 H new ATOM 0 HG1 THR A 34 11.090 -4.263 -5.545 1.00 2.11 H new ATOM 0 HG21 THR A 34 9.067 -2.667 -3.741 1.00 3.32 H new ATOM 0 HG22 THR A 34 7.487 -2.938 -4.515 1.00 3.32 H new ATOM 0 HG23 THR A 34 8.178 -4.180 -3.444 1.00 3.32 H new ATOM 561 N ASP A 35 8.921 -6.973 -4.599 1.00 41.41 N ATOM 562 CA ASP A 35 8.785 -7.948 -3.498 1.00 24.10 C ATOM 563 C ASP A 35 9.729 -7.581 -2.345 1.00 64.35 C ATOM 564 O ASP A 35 9.602 -8.130 -1.246 1.00 14.12 O ATOM 565 CB ASP A 35 9.069 -9.387 -3.994 1.00 23.42 C ATOM 566 CG ASP A 35 10.519 -9.580 -4.478 1.00 24.25 C ATOM 567 OD1 ASP A 35 11.383 -9.993 -3.672 1.00 12.25 O ATOM 568 OD2 ASP A 35 10.801 -9.304 -5.661 1.00 34.24 O ATOM 0 H ASP A 35 9.879 -6.859 -4.931 1.00 41.41 H new ATOM 0 HA ASP A 35 7.758 -7.913 -3.135 1.00 24.10 H new ATOM 0 HB2 ASP A 35 8.864 -10.091 -3.187 1.00 23.42 H new ATOM 0 HB3 ASP A 35 8.385 -9.627 -4.808 1.00 23.42 H new ATOM 573 N ASP A 36 10.666 -6.639 -2.584 1.00 24.04 N ATOM 574 CA ASP A 36 11.727 -6.315 -1.611 1.00 43.14 C ATOM 575 C ASP A 36 11.581 -4.860 -1.114 1.00 14.23 C ATOM 576 O ASP A 36 11.431 -3.924 -1.915 1.00 53.21 O ATOM 577 CB ASP A 36 13.138 -6.560 -2.232 1.00 43.12 C ATOM 578 CG ASP A 36 14.253 -6.704 -1.166 1.00 74.35 C ATOM 579 OD1 ASP A 36 14.592 -5.714 -0.500 1.00 53.32 O ATOM 580 OD2 ASP A 36 14.795 -7.818 -0.989 1.00 54.22 O ATOM 0 H ASP A 36 10.708 -6.090 -3.443 1.00 24.04 H new ATOM 0 HA ASP A 36 11.621 -6.976 -0.751 1.00 43.14 H new ATOM 0 HB2 ASP A 36 13.108 -7.462 -2.843 1.00 43.12 H new ATOM 0 HB3 ASP A 36 13.384 -5.733 -2.898 1.00 43.12 H new ATOM 585 N LYS A 37 11.646 -4.719 0.217 1.00 10.34 N ATOM 586 CA LYS A 37 11.555 -3.442 0.968 1.00 52.55 C ATOM 587 C LYS A 37 12.559 -2.358 0.509 1.00 35.01 C ATOM 588 O LYS A 37 12.279 -1.161 0.677 1.00 71.12 O ATOM 589 CB LYS A 37 11.733 -3.687 2.506 1.00 70.43 C ATOM 590 CG LYS A 37 13.113 -4.244 2.981 1.00 23.33 C ATOM 591 CD LYS A 37 13.322 -5.736 2.620 1.00 14.22 C ATOM 592 CE LYS A 37 14.685 -6.290 3.042 1.00 60.12 C ATOM 593 NZ LYS A 37 14.904 -7.657 2.492 1.00 33.43 N ATOM 0 H LYS A 37 11.769 -5.522 0.834 1.00 10.34 H new ATOM 0 HA LYS A 37 10.558 -3.059 0.752 1.00 52.55 H new ATOM 0 HB2 LYS A 37 11.553 -2.744 3.022 1.00 70.43 H new ATOM 0 HB3 LYS A 37 10.958 -4.381 2.830 1.00 70.43 H new ATOM 0 HG2 LYS A 37 13.911 -3.652 2.532 1.00 23.33 H new ATOM 0 HG3 LYS A 37 13.195 -4.123 4.061 1.00 23.33 H new ATOM 0 HD2 LYS A 37 12.538 -6.328 3.093 1.00 14.22 H new ATOM 0 HD3 LYS A 37 13.208 -5.859 1.543 1.00 14.22 H new ATOM 0 HE2 LYS A 37 15.475 -5.624 2.694 1.00 60.12 H new ATOM 0 HE3 LYS A 37 14.748 -6.318 4.130 1.00 60.12 H new ATOM 0 HZ1 LYS A 37 15.835 -8.008 2.794 1.00 33.43 H new ATOM 0 HZ2 LYS A 37 14.163 -8.296 2.844 1.00 33.43 H new ATOM 0 HZ3 LYS A 37 14.867 -7.623 1.453 1.00 33.43 H new ATOM 607 N GLU A 38 13.725 -2.768 -0.049 1.00 34.33 N ATOM 608 CA GLU A 38 14.772 -1.813 -0.472 1.00 52.22 C ATOM 609 C GLU A 38 14.250 -0.912 -1.609 1.00 55.43 C ATOM 610 O GLU A 38 14.386 0.313 -1.546 1.00 51.52 O ATOM 611 CB GLU A 38 16.088 -2.533 -0.891 1.00 13.32 C ATOM 612 CG GLU A 38 16.033 -3.335 -2.211 1.00 2.43 C ATOM 613 CD GLU A 38 17.390 -3.914 -2.626 1.00 53.53 C ATOM 614 OE1 GLU A 38 18.265 -3.128 -3.051 1.00 64.34 O ATOM 615 OE2 GLU A 38 17.595 -5.139 -2.527 1.00 22.54 O ATOM 0 H GLU A 38 13.960 -3.747 -0.214 1.00 34.33 H new ATOM 0 HA GLU A 38 15.013 -1.188 0.388 1.00 52.22 H new ATOM 0 HB2 GLU A 38 16.876 -1.785 -0.977 1.00 13.32 H new ATOM 0 HB3 GLU A 38 16.378 -3.212 -0.089 1.00 13.32 H new ATOM 0 HG2 GLU A 38 15.316 -4.149 -2.104 1.00 2.43 H new ATOM 0 HG3 GLU A 38 15.664 -2.688 -3.006 1.00 2.43 H new ATOM 622 N LYS A 39 13.588 -1.546 -2.600 1.00 51.44 N ATOM 623 CA LYS A 39 13.072 -0.870 -3.793 1.00 51.33 C ATOM 624 C LYS A 39 11.948 0.101 -3.414 1.00 61.53 C ATOM 625 O LYS A 39 11.891 1.218 -3.929 1.00 52.00 O ATOM 626 CB LYS A 39 12.578 -1.929 -4.816 1.00 52.22 C ATOM 627 CG LYS A 39 12.041 -1.359 -6.154 1.00 63.42 C ATOM 628 CD LYS A 39 13.076 -0.461 -6.878 1.00 13.31 C ATOM 629 CE LYS A 39 12.600 0.028 -8.256 1.00 43.22 C ATOM 630 NZ LYS A 39 13.530 1.047 -8.821 1.00 54.42 N ATOM 0 H LYS A 39 13.399 -2.548 -2.588 1.00 51.44 H new ATOM 0 HA LYS A 39 13.870 -0.288 -4.253 1.00 51.33 H new ATOM 0 HB2 LYS A 39 13.400 -2.610 -5.035 1.00 52.22 H new ATOM 0 HB3 LYS A 39 11.790 -2.520 -4.350 1.00 52.22 H new ATOM 0 HG2 LYS A 39 11.760 -2.184 -6.809 1.00 63.42 H new ATOM 0 HG3 LYS A 39 11.136 -0.782 -5.962 1.00 63.42 H new ATOM 0 HD2 LYS A 39 13.299 0.402 -6.251 1.00 13.31 H new ATOM 0 HD3 LYS A 39 14.006 -1.016 -6.999 1.00 13.31 H new ATOM 0 HE2 LYS A 39 12.526 -0.818 -8.939 1.00 43.22 H new ATOM 0 HE3 LYS A 39 11.601 0.454 -8.168 1.00 43.22 H new ATOM 0 HZ1 LYS A 39 13.568 0.947 -9.855 1.00 54.42 H new ATOM 0 HZ2 LYS A 39 13.191 1.999 -8.578 1.00 54.42 H new ATOM 0 HZ3 LYS A 39 14.481 0.907 -8.424 1.00 54.42 H new ATOM 644 N VAL A 40 11.100 -0.344 -2.465 1.00 72.32 N ATOM 645 CA VAL A 40 9.968 0.435 -1.937 1.00 41.11 C ATOM 646 C VAL A 40 10.412 1.847 -1.500 1.00 54.20 C ATOM 647 O VAL A 40 9.900 2.844 -2.006 1.00 73.43 O ATOM 648 CB VAL A 40 9.326 -0.304 -0.707 1.00 63.23 C ATOM 649 CG1 VAL A 40 8.150 0.496 -0.124 1.00 74.01 C ATOM 650 CG2 VAL A 40 8.888 -1.740 -1.067 1.00 73.24 C ATOM 0 H VAL A 40 11.186 -1.267 -2.040 1.00 72.32 H new ATOM 0 HA VAL A 40 9.234 0.531 -2.737 1.00 41.11 H new ATOM 0 HB VAL A 40 10.097 -0.377 0.060 1.00 63.23 H new ATOM 0 HG11 VAL A 40 7.729 -0.043 0.725 1.00 74.01 H new ATOM 0 HG12 VAL A 40 8.503 1.473 0.205 1.00 74.01 H new ATOM 0 HG13 VAL A 40 7.384 0.625 -0.888 1.00 74.01 H new ATOM 0 HG21 VAL A 40 8.449 -2.217 -0.191 1.00 73.24 H new ATOM 0 HG22 VAL A 40 8.150 -1.705 -1.869 1.00 73.24 H new ATOM 0 HG23 VAL A 40 9.755 -2.313 -1.396 1.00 73.24 H new ATOM 660 N LYS A 41 11.406 1.886 -0.596 1.00 42.11 N ATOM 661 CA LYS A 41 11.875 3.130 0.050 1.00 12.35 C ATOM 662 C LYS A 41 12.516 4.097 -0.959 1.00 3.30 C ATOM 663 O LYS A 41 12.335 5.314 -0.851 1.00 63.50 O ATOM 664 CB LYS A 41 12.871 2.789 1.174 1.00 53.12 C ATOM 665 CG LYS A 41 12.273 1.880 2.265 1.00 73.23 C ATOM 666 CD LYS A 41 13.322 1.444 3.307 1.00 52.40 C ATOM 667 CE LYS A 41 12.748 0.485 4.355 1.00 4.40 C ATOM 668 NZ LYS A 41 13.773 0.100 5.361 1.00 23.32 N ATOM 0 H LYS A 41 11.910 1.054 -0.290 1.00 42.11 H new ATOM 0 HA LYS A 41 11.007 3.635 0.473 1.00 12.35 H new ATOM 0 HB2 LYS A 41 13.743 2.299 0.741 1.00 53.12 H new ATOM 0 HB3 LYS A 41 13.220 3.714 1.633 1.00 53.12 H new ATOM 0 HG2 LYS A 41 11.462 2.406 2.768 1.00 73.23 H new ATOM 0 HG3 LYS A 41 11.838 0.996 1.799 1.00 73.23 H new ATOM 0 HD2 LYS A 41 14.156 0.962 2.797 1.00 52.40 H new ATOM 0 HD3 LYS A 41 13.721 2.327 3.807 1.00 52.40 H new ATOM 0 HE2 LYS A 41 11.903 0.956 4.857 1.00 4.40 H new ATOM 0 HE3 LYS A 41 12.367 -0.409 3.862 1.00 4.40 H new ATOM 0 HZ1 LYS A 41 13.305 -0.142 6.258 1.00 23.32 H new ATOM 0 HZ2 LYS A 41 14.306 -0.723 5.016 1.00 23.32 H new ATOM 0 HZ3 LYS A 41 14.425 0.895 5.514 1.00 23.32 H new ATOM 682 N GLU A 42 13.251 3.524 -1.935 1.00 11.34 N ATOM 683 CA GLU A 42 13.878 4.289 -3.034 1.00 32.11 C ATOM 684 C GLU A 42 12.802 5.029 -3.849 1.00 65.13 C ATOM 685 O GLU A 42 12.959 6.206 -4.176 1.00 44.15 O ATOM 686 CB GLU A 42 14.701 3.340 -3.952 1.00 51.00 C ATOM 687 CG GLU A 42 15.895 2.673 -3.246 1.00 41.54 C ATOM 688 CD GLU A 42 16.625 1.634 -4.114 1.00 33.55 C ATOM 689 OE1 GLU A 42 17.255 2.025 -5.117 1.00 14.22 O ATOM 690 OE2 GLU A 42 16.599 0.427 -3.786 1.00 4.23 O ATOM 0 H GLU A 42 13.426 2.520 -1.984 1.00 11.34 H new ATOM 0 HA GLU A 42 14.556 5.027 -2.605 1.00 32.11 H new ATOM 0 HB2 GLU A 42 14.042 2.564 -4.341 1.00 51.00 H new ATOM 0 HB3 GLU A 42 15.067 3.906 -4.808 1.00 51.00 H new ATOM 0 HG2 GLU A 42 16.604 3.444 -2.944 1.00 41.54 H new ATOM 0 HG3 GLU A 42 15.543 2.189 -2.335 1.00 41.54 H new ATOM 697 N GLU A 43 11.692 4.320 -4.112 1.00 0.15 N ATOM 698 CA GLU A 43 10.555 4.844 -4.888 1.00 53.13 C ATOM 699 C GLU A 43 9.728 5.871 -4.081 1.00 72.14 C ATOM 700 O GLU A 43 9.165 6.800 -4.670 1.00 41.42 O ATOM 701 CB GLU A 43 9.653 3.679 -5.353 1.00 5.32 C ATOM 702 CG GLU A 43 10.341 2.661 -6.282 1.00 21.25 C ATOM 703 CD GLU A 43 10.844 3.265 -7.602 1.00 61.04 C ATOM 704 OE1 GLU A 43 10.009 3.677 -8.440 1.00 65.24 O ATOM 705 OE2 GLU A 43 12.069 3.316 -7.818 1.00 61.50 O ATOM 0 H GLU A 43 11.557 3.361 -3.790 1.00 0.15 H new ATOM 0 HA GLU A 43 10.958 5.362 -5.758 1.00 53.13 H new ATOM 0 HB2 GLU A 43 9.280 3.153 -4.474 1.00 5.32 H new ATOM 0 HB3 GLU A 43 8.786 4.092 -5.869 1.00 5.32 H new ATOM 0 HG2 GLU A 43 11.183 2.213 -5.754 1.00 21.25 H new ATOM 0 HG3 GLU A 43 9.641 1.856 -6.505 1.00 21.25 H new ATOM 712 N ILE A 44 9.648 5.678 -2.740 1.00 24.53 N ATOM 713 CA ILE A 44 8.956 6.620 -1.823 1.00 11.12 C ATOM 714 C ILE A 44 9.645 8.002 -1.879 1.00 4.24 C ATOM 715 O ILE A 44 8.978 9.040 -1.872 1.00 53.34 O ATOM 716 CB ILE A 44 8.918 6.087 -0.328 1.00 71.05 C ATOM 717 CG1 ILE A 44 8.071 4.775 -0.214 1.00 55.13 C ATOM 718 CG2 ILE A 44 8.384 7.163 0.658 1.00 70.22 C ATOM 719 CD1 ILE A 44 8.035 4.150 1.180 1.00 2.31 C ATOM 0 H ILE A 44 10.057 4.872 -2.267 1.00 24.53 H new ATOM 0 HA ILE A 44 7.923 6.708 -2.158 1.00 11.12 H new ATOM 0 HB ILE A 44 9.947 5.860 -0.048 1.00 71.05 H new ATOM 0 HG12 ILE A 44 7.049 4.992 -0.525 1.00 55.13 H new ATOM 0 HG13 ILE A 44 8.469 4.041 -0.915 1.00 55.13 H new ATOM 0 HG21 ILE A 44 8.374 6.757 1.669 1.00 70.22 H new ATOM 0 HG22 ILE A 44 9.031 8.040 0.625 1.00 70.22 H new ATOM 0 HG23 ILE A 44 7.372 7.448 0.372 1.00 70.22 H new ATOM 0 HD11 ILE A 44 7.425 3.247 1.158 1.00 2.31 H new ATOM 0 HD12 ILE A 44 9.048 3.896 1.491 1.00 2.31 H new ATOM 0 HD13 ILE A 44 7.606 4.861 1.886 1.00 2.31 H new ATOM 731 N GLU A 45 10.990 7.985 -1.962 1.00 42.32 N ATOM 732 CA GLU A 45 11.805 9.206 -2.112 1.00 51.34 C ATOM 733 C GLU A 45 11.567 9.858 -3.484 1.00 34.54 C ATOM 734 O GLU A 45 11.440 11.075 -3.581 1.00 34.34 O ATOM 735 CB GLU A 45 13.305 8.881 -1.939 1.00 35.23 C ATOM 736 CG GLU A 45 13.674 8.327 -0.558 1.00 4.04 C ATOM 737 CD GLU A 45 15.151 7.941 -0.450 1.00 25.12 C ATOM 738 OE1 GLU A 45 15.484 6.753 -0.652 1.00 1.14 O ATOM 739 OE2 GLU A 45 15.993 8.831 -0.199 1.00 51.42 O ATOM 0 H GLU A 45 11.540 7.127 -1.927 1.00 42.32 H new ATOM 0 HA GLU A 45 11.503 9.908 -1.335 1.00 51.34 H new ATOM 0 HB2 GLU A 45 13.598 8.156 -2.699 1.00 35.23 H new ATOM 0 HB3 GLU A 45 13.885 9.786 -2.121 1.00 35.23 H new ATOM 0 HG2 GLU A 45 13.442 9.073 0.202 1.00 4.04 H new ATOM 0 HG3 GLU A 45 13.058 7.453 -0.346 1.00 4.04 H new ATOM 746 N LYS A 46 11.490 9.013 -4.532 1.00 62.45 N ATOM 747 CA LYS A 46 11.216 9.452 -5.920 1.00 74.12 C ATOM 748 C LYS A 46 9.784 10.014 -6.062 1.00 44.12 C ATOM 749 O LYS A 46 9.498 10.794 -6.979 1.00 61.33 O ATOM 750 CB LYS A 46 11.461 8.275 -6.902 1.00 41.05 C ATOM 751 CG LYS A 46 12.943 7.828 -6.985 1.00 61.40 C ATOM 752 CD LYS A 46 13.134 6.489 -7.738 1.00 74.41 C ATOM 753 CE LYS A 46 12.683 6.535 -9.207 1.00 70.51 C ATOM 754 NZ LYS A 46 12.788 5.198 -9.863 1.00 50.25 N ATOM 0 H LYS A 46 11.616 8.005 -4.442 1.00 62.45 H new ATOM 0 HA LYS A 46 11.901 10.262 -6.169 1.00 74.12 H new ATOM 0 HB2 LYS A 46 10.851 7.425 -6.595 1.00 41.05 H new ATOM 0 HB3 LYS A 46 11.123 8.567 -7.896 1.00 41.05 H new ATOM 0 HG2 LYS A 46 13.523 8.604 -7.484 1.00 61.40 H new ATOM 0 HG3 LYS A 46 13.344 7.731 -5.976 1.00 61.40 H new ATOM 0 HD2 LYS A 46 14.186 6.208 -7.699 1.00 74.41 H new ATOM 0 HD3 LYS A 46 12.576 5.709 -7.220 1.00 74.41 H new ATOM 0 HE2 LYS A 46 11.652 6.885 -9.260 1.00 70.51 H new ATOM 0 HE3 LYS A 46 13.293 7.256 -9.752 1.00 70.51 H new ATOM 0 HZ1 LYS A 46 12.143 5.160 -10.678 1.00 50.25 H new ATOM 0 HZ2 LYS A 46 13.765 5.046 -10.187 1.00 50.25 H new ATOM 0 HZ3 LYS A 46 12.530 4.456 -9.182 1.00 50.25 H new ATOM 768 N ALA A 47 8.893 9.610 -5.142 1.00 62.32 N ATOM 769 CA ALA A 47 7.526 10.135 -5.061 1.00 21.43 C ATOM 770 C ALA A 47 7.499 11.456 -4.267 1.00 43.31 C ATOM 771 O ALA A 47 6.874 12.430 -4.696 1.00 72.22 O ATOM 772 CB ALA A 47 6.590 9.095 -4.430 1.00 42.21 C ATOM 0 H ALA A 47 9.104 8.908 -4.433 1.00 62.32 H new ATOM 0 HA ALA A 47 7.173 10.342 -6.071 1.00 21.43 H new ATOM 0 HB1 ALA A 47 5.579 9.500 -4.377 1.00 42.21 H new ATOM 0 HB2 ALA A 47 6.587 8.191 -5.039 1.00 42.21 H new ATOM 0 HB3 ALA A 47 6.938 8.855 -3.425 1.00 42.21 H new ATOM 778 N ARG A 48 8.240 11.486 -3.144 1.00 73.22 N ATOM 779 CA ARG A 48 8.210 12.603 -2.177 1.00 13.53 C ATOM 780 C ARG A 48 8.885 13.860 -2.750 1.00 43.45 C ATOM 781 O ARG A 48 8.401 14.976 -2.541 1.00 14.24 O ATOM 782 CB ARG A 48 8.896 12.204 -0.838 1.00 51.42 C ATOM 783 CG ARG A 48 8.822 13.310 0.242 1.00 14.14 C ATOM 784 CD ARG A 48 9.581 12.978 1.536 1.00 40.14 C ATOM 785 NE ARG A 48 9.630 14.142 2.443 1.00 63.21 N ATOM 786 CZ ARG A 48 10.478 14.292 3.470 1.00 51.43 C ATOM 787 NH1 ARG A 48 11.377 13.351 3.766 1.00 5.24 N ATOM 788 NH2 ARG A 48 10.427 15.402 4.197 1.00 10.22 N ATOM 0 H ARG A 48 8.878 10.736 -2.880 1.00 73.22 H new ATOM 0 HA ARG A 48 7.162 12.830 -1.983 1.00 13.53 H new ATOM 0 HB2 ARG A 48 8.427 11.298 -0.453 1.00 51.42 H new ATOM 0 HB3 ARG A 48 9.942 11.964 -1.031 1.00 51.42 H new ATOM 0 HG2 ARG A 48 9.222 14.235 -0.173 1.00 14.14 H new ATOM 0 HG3 ARG A 48 7.776 13.496 0.485 1.00 14.14 H new ATOM 0 HD2 ARG A 48 9.096 12.142 2.040 1.00 40.14 H new ATOM 0 HD3 ARG A 48 10.595 12.660 1.294 1.00 40.14 H new ATOM 0 HE ARG A 48 8.963 14.895 2.274 1.00 63.21 H new ATOM 0 HH11 ARG A 48 11.427 12.500 3.207 1.00 5.24 H new ATOM 0 HH12 ARG A 48 12.014 13.483 4.552 1.00 5.24 H new ATOM 0 HH21 ARG A 48 9.748 16.129 3.971 1.00 10.22 H new ATOM 0 HH22 ARG A 48 11.067 15.528 4.981 1.00 10.22 H new ATOM 802 N LYS A 49 9.996 13.661 -3.483 1.00 52.03 N ATOM 803 CA LYS A 49 10.756 14.763 -4.117 1.00 32.33 C ATOM 804 C LYS A 49 9.901 15.513 -5.160 1.00 15.00 C ATOM 805 O LYS A 49 10.200 16.658 -5.517 1.00 44.43 O ATOM 806 CB LYS A 49 12.068 14.236 -4.760 1.00 41.52 C ATOM 807 CG LYS A 49 11.885 13.279 -5.965 1.00 65.33 C ATOM 808 CD LYS A 49 13.217 12.666 -6.466 1.00 32.45 C ATOM 809 CE LYS A 49 14.224 13.718 -6.959 1.00 32.43 C ATOM 810 NZ LYS A 49 13.687 14.519 -8.087 1.00 31.12 N ATOM 0 H LYS A 49 10.394 12.737 -3.654 1.00 52.03 H new ATOM 0 HA LYS A 49 11.020 15.472 -3.332 1.00 32.33 H new ATOM 0 HB2 LYS A 49 12.661 15.091 -5.085 1.00 41.52 H new ATOM 0 HB3 LYS A 49 12.646 13.720 -3.993 1.00 41.52 H new ATOM 0 HG2 LYS A 49 11.206 12.475 -5.682 1.00 65.33 H new ATOM 0 HG3 LYS A 49 11.412 13.822 -6.783 1.00 65.33 H new ATOM 0 HD2 LYS A 49 13.670 12.090 -5.659 1.00 32.45 H new ATOM 0 HD3 LYS A 49 13.006 11.968 -7.276 1.00 32.45 H new ATOM 0 HE2 LYS A 49 14.486 14.382 -6.136 1.00 32.43 H new ATOM 0 HE3 LYS A 49 15.142 13.221 -7.272 1.00 32.43 H new ATOM 0 HZ1 LYS A 49 14.432 15.145 -8.454 1.00 31.12 H new ATOM 0 HZ2 LYS A 49 13.366 13.882 -8.844 1.00 31.12 H new ATOM 0 HZ3 LYS A 49 12.886 15.093 -7.755 1.00 31.12 H new ATOM 824 N GLN A 50 8.841 14.841 -5.650 1.00 52.32 N ATOM 825 CA GLN A 50 7.872 15.413 -6.599 1.00 23.40 C ATOM 826 C GLN A 50 6.546 15.768 -5.892 1.00 11.45 C ATOM 827 O GLN A 50 5.719 16.493 -6.450 1.00 71.52 O ATOM 828 CB GLN A 50 7.626 14.411 -7.757 1.00 11.40 C ATOM 829 CG GLN A 50 8.910 14.001 -8.509 1.00 14.14 C ATOM 830 CD GLN A 50 8.649 13.070 -9.689 1.00 51.41 C ATOM 831 OE1 GLN A 50 7.610 13.147 -10.344 1.00 61.53 O ATOM 832 NE2 GLN A 50 9.588 12.183 -9.975 1.00 65.51 N ATOM 0 H GLN A 50 8.633 13.876 -5.394 1.00 52.32 H new ATOM 0 HA GLN A 50 8.284 16.336 -7.007 1.00 23.40 H new ATOM 0 HB2 GLN A 50 7.150 13.516 -7.356 1.00 11.40 H new ATOM 0 HB3 GLN A 50 6.927 14.854 -8.466 1.00 11.40 H new ATOM 0 HG2 GLN A 50 9.414 14.898 -8.868 1.00 14.14 H new ATOM 0 HG3 GLN A 50 9.590 13.511 -7.812 1.00 14.14 H new ATOM 0 HE21 GLN A 50 10.439 12.143 -9.414 1.00 65.51 H new ATOM 0 HE22 GLN A 50 9.461 11.540 -10.756 1.00 65.51 H new ATOM 841 N GLY A 51 6.348 15.233 -4.670 1.00 45.14 N ATOM 842 CA GLY A 51 5.131 15.475 -3.881 1.00 21.03 C ATOM 843 C GLY A 51 3.939 14.637 -4.335 1.00 71.23 C ATOM 844 O GLY A 51 2.824 14.822 -3.842 1.00 63.43 O ATOM 0 H GLY A 51 7.025 14.625 -4.208 1.00 45.14 H new ATOM 0 HA2 GLY A 51 5.338 15.261 -2.832 1.00 21.03 H new ATOM 0 HA3 GLY A 51 4.869 16.531 -3.945 1.00 21.03 H new ATOM 848 N ARG A 52 4.183 13.714 -5.279 1.00 33.52 N ATOM 849 CA ARG A 52 3.141 12.855 -5.871 1.00 33.11 C ATOM 850 C ARG A 52 2.793 11.682 -4.922 1.00 41.40 C ATOM 851 O ARG A 52 3.634 11.262 -4.111 1.00 11.40 O ATOM 852 CB ARG A 52 3.609 12.312 -7.253 1.00 20.51 C ATOM 853 CG ARG A 52 4.939 11.527 -7.211 1.00 0.25 C ATOM 854 CD ARG A 52 5.379 10.980 -8.576 1.00 13.40 C ATOM 855 NE ARG A 52 6.747 10.425 -8.533 1.00 51.15 N ATOM 856 CZ ARG A 52 7.339 9.735 -9.523 1.00 4.11 C ATOM 857 NH1 ARG A 52 6.708 9.484 -10.673 1.00 70.54 N ATOM 858 NH2 ARG A 52 8.589 9.327 -9.363 1.00 73.33 N ATOM 0 H ARG A 52 5.115 13.540 -5.656 1.00 33.52 H new ATOM 0 HA ARG A 52 2.243 13.456 -6.016 1.00 33.11 H new ATOM 0 HB2 ARG A 52 2.831 11.665 -7.658 1.00 20.51 H new ATOM 0 HB3 ARG A 52 3.717 13.150 -7.942 1.00 20.51 H new ATOM 0 HG2 ARG A 52 5.722 12.178 -6.821 1.00 0.25 H new ATOM 0 HG3 ARG A 52 4.838 10.696 -6.513 1.00 0.25 H new ATOM 0 HD2 ARG A 52 4.683 10.205 -8.898 1.00 13.40 H new ATOM 0 HD3 ARG A 52 5.334 11.777 -9.318 1.00 13.40 H new ATOM 0 HE ARG A 52 7.287 10.578 -7.681 1.00 51.15 H new ATOM 0 HH11 ARG A 52 5.755 9.818 -10.815 1.00 70.54 H new ATOM 0 HH12 ARG A 52 7.179 8.958 -11.409 1.00 70.54 H new ATOM 0 HH21 ARG A 52 9.087 9.538 -8.498 1.00 73.33 H new ATOM 0 HH22 ARG A 52 9.053 8.802 -10.104 1.00 73.33 H new ATOM 872 N PRO A 53 1.533 11.153 -4.986 1.00 22.31 N ATOM 873 CA PRO A 53 1.177 9.894 -4.305 1.00 51.11 C ATOM 874 C PRO A 53 1.870 8.679 -4.958 1.00 40.22 C ATOM 875 O PRO A 53 2.344 8.754 -6.102 1.00 4.10 O ATOM 876 CB PRO A 53 -0.373 9.820 -4.435 1.00 63.01 C ATOM 877 CG PRO A 53 -0.804 11.198 -4.866 1.00 21.43 C ATOM 878 CD PRO A 53 0.350 11.747 -5.672 1.00 41.10 C ATOM 0 HA PRO A 53 1.505 9.874 -3.266 1.00 51.11 H new ATOM 0 HB2 PRO A 53 -0.671 9.068 -5.166 1.00 63.01 H new ATOM 0 HB3 PRO A 53 -0.834 9.543 -3.487 1.00 63.01 H new ATOM 0 HG2 PRO A 53 -1.715 11.156 -5.463 1.00 21.43 H new ATOM 0 HG3 PRO A 53 -1.017 11.830 -4.004 1.00 21.43 H new ATOM 0 HD2 PRO A 53 0.294 11.446 -6.718 1.00 41.10 H new ATOM 0 HD3 PRO A 53 0.375 12.837 -5.655 1.00 41.10 H new ATOM 886 N ILE A 54 1.908 7.562 -4.226 1.00 3.52 N ATOM 887 CA ILE A 54 2.534 6.324 -4.683 1.00 34.31 C ATOM 888 C ILE A 54 1.815 5.113 -4.065 1.00 1.42 C ATOM 889 O ILE A 54 1.468 5.129 -2.889 1.00 34.34 O ATOM 890 CB ILE A 54 4.080 6.304 -4.359 1.00 12.10 C ATOM 891 CG1 ILE A 54 4.766 5.035 -4.946 1.00 51.43 C ATOM 892 CG2 ILE A 54 4.358 6.440 -2.844 1.00 14.42 C ATOM 893 CD1 ILE A 54 6.279 5.036 -4.855 1.00 52.32 C ATOM 0 H ILE A 54 1.501 7.494 -3.293 1.00 3.52 H new ATOM 0 HA ILE A 54 2.437 6.268 -5.767 1.00 34.31 H new ATOM 0 HB ILE A 54 4.518 7.176 -4.845 1.00 12.10 H new ATOM 0 HG12 ILE A 54 4.384 4.158 -4.424 1.00 51.43 H new ATOM 0 HG13 ILE A 54 4.478 4.934 -5.992 1.00 51.43 H new ATOM 0 HG21 ILE A 54 5.434 6.421 -2.668 1.00 14.42 H new ATOM 0 HG22 ILE A 54 3.948 7.383 -2.482 1.00 14.42 H new ATOM 0 HG23 ILE A 54 3.889 5.612 -2.312 1.00 14.42 H new ATOM 0 HD11 ILE A 54 6.670 4.115 -5.287 1.00 52.32 H new ATOM 0 HD12 ILE A 54 6.676 5.891 -5.402 1.00 52.32 H new ATOM 0 HD13 ILE A 54 6.581 5.103 -3.810 1.00 52.32 H new ATOM 905 N VAL A 55 1.550 4.088 -4.890 1.00 73.11 N ATOM 906 CA VAL A 55 1.018 2.803 -4.432 1.00 43.01 C ATOM 907 C VAL A 55 2.107 1.742 -4.629 1.00 21.23 C ATOM 908 O VAL A 55 2.563 1.500 -5.760 1.00 34.35 O ATOM 909 CB VAL A 55 -0.297 2.367 -5.180 1.00 20.43 C ATOM 910 CG1 VAL A 55 -0.831 1.028 -4.623 1.00 2.40 C ATOM 911 CG2 VAL A 55 -1.387 3.452 -5.082 1.00 24.20 C ATOM 0 H VAL A 55 1.701 4.132 -5.898 1.00 73.11 H new ATOM 0 HA VAL A 55 0.745 2.908 -3.382 1.00 43.01 H new ATOM 0 HB VAL A 55 -0.043 2.233 -6.231 1.00 20.43 H new ATOM 0 HG11 VAL A 55 -1.740 0.749 -5.156 1.00 2.40 H new ATOM 0 HG12 VAL A 55 -0.078 0.252 -4.758 1.00 2.40 H new ATOM 0 HG13 VAL A 55 -1.052 1.138 -3.561 1.00 2.40 H new ATOM 0 HG21 VAL A 55 -2.281 3.118 -5.609 1.00 24.20 H new ATOM 0 HG22 VAL A 55 -1.629 3.631 -4.034 1.00 24.20 H new ATOM 0 HG23 VAL A 55 -1.023 4.375 -5.533 1.00 24.20 H new ATOM 921 N ILE A 56 2.534 1.153 -3.515 1.00 74.32 N ATOM 922 CA ILE A 56 3.517 0.077 -3.487 1.00 23.52 C ATOM 923 C ILE A 56 2.768 -1.268 -3.477 1.00 41.45 C ATOM 924 O ILE A 56 1.786 -1.421 -2.762 1.00 23.35 O ATOM 925 CB ILE A 56 4.422 0.195 -2.209 1.00 33.42 C ATOM 926 CG1 ILE A 56 5.166 1.571 -2.157 1.00 64.32 C ATOM 927 CG2 ILE A 56 5.424 -0.976 -2.120 1.00 2.13 C ATOM 928 CD1 ILE A 56 6.224 1.777 -3.229 1.00 70.11 C ATOM 0 H ILE A 56 2.199 1.417 -2.589 1.00 74.32 H new ATOM 0 HA ILE A 56 4.158 0.143 -4.366 1.00 23.52 H new ATOM 0 HB ILE A 56 3.764 0.140 -1.342 1.00 33.42 H new ATOM 0 HG12 ILE A 56 4.427 2.368 -2.240 1.00 64.32 H new ATOM 0 HG13 ILE A 56 5.637 1.674 -1.180 1.00 64.32 H new ATOM 0 HG21 ILE A 56 6.035 -0.865 -1.224 1.00 2.13 H new ATOM 0 HG22 ILE A 56 4.879 -1.919 -2.072 1.00 2.13 H new ATOM 0 HG23 ILE A 56 6.066 -0.973 -3.001 1.00 2.13 H new ATOM 0 HD11 ILE A 56 6.680 2.759 -3.106 1.00 70.11 H new ATOM 0 HD12 ILE A 56 6.990 1.007 -3.137 1.00 70.11 H new ATOM 0 HD13 ILE A 56 5.761 1.712 -4.214 1.00 70.11 H new ATOM 940 N PHE A 57 3.244 -2.221 -4.278 1.00 70.22 N ATOM 941 CA PHE A 57 2.699 -3.580 -4.363 1.00 23.52 C ATOM 942 C PHE A 57 3.834 -4.550 -4.018 1.00 22.31 C ATOM 943 O PHE A 57 4.749 -4.722 -4.816 1.00 1.14 O ATOM 944 CB PHE A 57 2.173 -3.881 -5.797 1.00 75.11 C ATOM 945 CG PHE A 57 1.071 -2.951 -6.303 1.00 31.43 C ATOM 946 CD1 PHE A 57 -0.243 -3.112 -5.880 1.00 31.25 C ATOM 947 CD2 PHE A 57 1.349 -1.917 -7.211 1.00 11.41 C ATOM 948 CE1 PHE A 57 -1.242 -2.279 -6.343 1.00 73.12 C ATOM 949 CE2 PHE A 57 0.346 -1.087 -7.670 1.00 51.34 C ATOM 950 CZ PHE A 57 -0.946 -1.271 -7.235 1.00 10.45 C ATOM 0 H PHE A 57 4.037 -2.068 -4.901 1.00 70.22 H new ATOM 0 HA PHE A 57 1.862 -3.688 -3.673 1.00 23.52 H new ATOM 0 HB2 PHE A 57 3.012 -3.832 -6.491 1.00 75.11 H new ATOM 0 HB3 PHE A 57 1.799 -4.905 -5.821 1.00 75.11 H new ATOM 0 HD1 PHE A 57 -0.486 -3.898 -5.181 1.00 31.25 H new ATOM 0 HD2 PHE A 57 2.362 -1.769 -7.555 1.00 11.41 H new ATOM 0 HE1 PHE A 57 -2.258 -2.418 -6.005 1.00 73.12 H new ATOM 0 HE2 PHE A 57 0.575 -0.296 -8.368 1.00 51.34 H new ATOM 0 HZ PHE A 57 -1.732 -0.623 -7.594 1.00 10.45 H new ATOM 960 N ILE A 58 3.802 -5.130 -2.811 1.00 63.03 N ATOM 961 CA ILE A 58 4.816 -6.101 -2.358 1.00 51.31 C ATOM 962 C ILE A 58 4.197 -7.499 -2.348 1.00 0.24 C ATOM 963 O ILE A 58 3.063 -7.670 -1.880 1.00 1.44 O ATOM 964 CB ILE A 58 5.366 -5.783 -0.916 1.00 43.12 C ATOM 965 CG1 ILE A 58 5.808 -4.296 -0.799 1.00 21.22 C ATOM 966 CG2 ILE A 58 6.540 -6.734 -0.557 1.00 30.32 C ATOM 967 CD1 ILE A 58 6.221 -3.862 0.601 1.00 50.33 C ATOM 0 H ILE A 58 3.076 -4.942 -2.120 1.00 63.03 H new ATOM 0 HA ILE A 58 5.655 -6.040 -3.052 1.00 51.31 H new ATOM 0 HB ILE A 58 4.558 -5.949 -0.204 1.00 43.12 H new ATOM 0 HG12 ILE A 58 6.643 -4.125 -1.479 1.00 21.22 H new ATOM 0 HG13 ILE A 58 4.989 -3.660 -1.135 1.00 21.22 H new ATOM 0 HG21 ILE A 58 6.906 -6.499 0.442 1.00 30.32 H new ATOM 0 HG22 ILE A 58 6.192 -7.767 -0.582 1.00 30.32 H new ATOM 0 HG23 ILE A 58 7.347 -6.605 -1.279 1.00 30.32 H new ATOM 0 HD11 ILE A 58 6.513 -2.812 0.585 1.00 50.33 H new ATOM 0 HD12 ILE A 58 5.383 -3.996 1.285 1.00 50.33 H new ATOM 0 HD13 ILE A 58 7.063 -4.467 0.936 1.00 50.33 H new ATOM 979 N ARG A 59 4.928 -8.490 -2.879 1.00 25.30 N ATOM 980 CA ARG A 59 4.520 -9.892 -2.771 1.00 32.41 C ATOM 981 C ARG A 59 5.054 -10.490 -1.449 1.00 35.22 C ATOM 982 O ARG A 59 6.270 -10.672 -1.295 1.00 75.12 O ATOM 983 CB ARG A 59 4.992 -10.728 -3.989 1.00 53.25 C ATOM 984 CG ARG A 59 4.536 -12.202 -3.916 1.00 11.25 C ATOM 985 CD ARG A 59 4.906 -13.032 -5.148 1.00 32.12 C ATOM 986 NE ARG A 59 4.478 -14.435 -4.982 1.00 32.35 N ATOM 987 CZ ARG A 59 4.713 -15.439 -5.842 1.00 14.12 C ATOM 988 NH1 ARG A 59 5.387 -15.235 -6.971 1.00 52.41 N ATOM 989 NH2 ARG A 59 4.281 -16.662 -5.556 1.00 14.14 N ATOM 0 H ARG A 59 5.801 -8.344 -3.385 1.00 25.30 H new ATOM 0 HA ARG A 59 3.431 -9.929 -2.766 1.00 32.41 H new ATOM 0 HB2 ARG A 59 4.607 -10.278 -4.904 1.00 53.25 H new ATOM 0 HB3 ARG A 59 6.080 -10.691 -4.049 1.00 53.25 H new ATOM 0 HG2 ARG A 59 4.978 -12.665 -3.033 1.00 11.25 H new ATOM 0 HG3 ARG A 59 3.454 -12.230 -3.783 1.00 11.25 H new ATOM 0 HD2 ARG A 59 4.435 -12.606 -6.034 1.00 32.12 H new ATOM 0 HD3 ARG A 59 5.983 -12.992 -5.309 1.00 32.12 H new ATOM 0 HE ARG A 59 3.956 -14.663 -4.136 1.00 32.35 H new ATOM 0 HH11 ARG A 59 5.735 -14.303 -7.196 1.00 52.41 H new ATOM 0 HH12 ARG A 59 5.555 -16.011 -7.612 1.00 52.41 H new ATOM 0 HH21 ARG A 59 3.774 -16.834 -4.688 1.00 14.14 H new ATOM 0 HH22 ARG A 59 4.456 -17.429 -6.205 1.00 14.14 H new ATOM 1003 N GLY A 60 4.126 -10.740 -0.503 1.00 12.24 N ATOM 1004 CA GLY A 60 4.423 -11.425 0.763 1.00 64.03 C ATOM 1005 C GLY A 60 5.383 -10.660 1.686 1.00 54.24 C ATOM 1006 O GLY A 60 6.543 -11.053 1.845 1.00 25.04 O ATOM 0 H GLY A 60 3.147 -10.470 -0.600 1.00 12.24 H new ATOM 0 HA2 GLY A 60 3.488 -11.600 1.296 1.00 64.03 H new ATOM 0 HA3 GLY A 60 4.852 -12.402 0.542 1.00 64.03 H new ATOM 1010 N ALA A 61 4.897 -9.558 2.285 1.00 45.13 N ATOM 1011 CA ALA A 61 5.675 -8.723 3.223 1.00 24.33 C ATOM 1012 C ALA A 61 5.237 -9.004 4.669 1.00 25.22 C ATOM 1013 O ALA A 61 4.038 -9.005 4.969 1.00 52.55 O ATOM 1014 CB ALA A 61 5.491 -7.237 2.886 1.00 33.51 C ATOM 0 H ALA A 61 3.948 -9.218 2.132 1.00 45.13 H new ATOM 0 HA ALA A 61 6.731 -8.973 3.125 1.00 24.33 H new ATOM 0 HB1 ALA A 61 6.069 -6.631 3.584 1.00 33.51 H new ATOM 0 HB2 ALA A 61 5.837 -7.049 1.870 1.00 33.51 H new ATOM 0 HB3 ALA A 61 4.436 -6.974 2.965 1.00 33.51 H new ATOM 1020 N THR A 62 6.223 -9.238 5.549 1.00 5.20 N ATOM 1021 CA THR A 62 6.003 -9.531 6.982 1.00 31.02 C ATOM 1022 C THR A 62 6.088 -8.241 7.832 1.00 43.24 C ATOM 1023 O THR A 62 6.488 -7.194 7.327 1.00 61.43 O ATOM 1024 CB THR A 62 7.027 -10.612 7.468 1.00 12.43 C ATOM 1025 OG1 THR A 62 6.873 -10.889 8.865 1.00 33.24 O ATOM 1026 CG2 THR A 62 8.486 -10.215 7.175 1.00 63.25 C ATOM 0 H THR A 62 7.209 -9.230 5.287 1.00 5.20 H new ATOM 0 HA THR A 62 4.997 -9.932 7.110 1.00 31.02 H new ATOM 0 HB THR A 62 6.804 -11.515 6.900 1.00 12.43 H new ATOM 0 HG1 THR A 62 7.566 -10.415 9.371 1.00 33.24 H new ATOM 0 HG21 THR A 62 9.155 -10.998 7.532 1.00 63.25 H new ATOM 0 HG22 THR A 62 8.619 -10.085 6.101 1.00 63.25 H new ATOM 0 HG23 THR A 62 8.718 -9.280 7.685 1.00 63.25 H new ATOM 1034 N GLU A 63 5.738 -8.357 9.129 1.00 43.34 N ATOM 1035 CA GLU A 63 5.478 -7.212 10.028 1.00 2.55 C ATOM 1036 C GLU A 63 6.656 -6.221 10.159 1.00 41.13 C ATOM 1037 O GLU A 63 6.444 -5.023 9.994 1.00 43.21 O ATOM 1038 CB GLU A 63 5.028 -7.723 11.422 1.00 31.43 C ATOM 1039 CG GLU A 63 5.931 -8.818 12.023 1.00 54.14 C ATOM 1040 CD GLU A 63 5.512 -9.260 13.433 1.00 21.11 C ATOM 1041 OE1 GLU A 63 4.436 -9.867 13.570 1.00 35.44 O ATOM 1042 OE2 GLU A 63 6.263 -9.007 14.406 1.00 65.04 O ATOM 0 H GLU A 63 5.626 -9.261 9.589 1.00 43.34 H new ATOM 0 HA GLU A 63 4.675 -6.640 9.563 1.00 2.55 H new ATOM 0 HB2 GLU A 63 4.994 -6.879 12.111 1.00 31.43 H new ATOM 0 HB3 GLU A 63 4.012 -8.110 11.343 1.00 31.43 H new ATOM 0 HG2 GLU A 63 5.923 -9.685 11.363 1.00 54.14 H new ATOM 0 HG3 GLU A 63 6.957 -8.452 12.057 1.00 54.14 H new ATOM 1049 N GLU A 64 7.877 -6.718 10.446 1.00 4.24 N ATOM 1050 CA GLU A 64 9.072 -5.851 10.614 1.00 41.02 C ATOM 1051 C GLU A 64 9.398 -5.066 9.327 1.00 64.45 C ATOM 1052 O GLU A 64 9.907 -3.947 9.387 1.00 60.44 O ATOM 1053 CB GLU A 64 10.323 -6.643 11.099 1.00 41.04 C ATOM 1054 CG GLU A 64 10.769 -7.840 10.216 1.00 1.14 C ATOM 1055 CD GLU A 64 10.138 -9.185 10.637 1.00 13.43 C ATOM 1056 OE1 GLU A 64 8.972 -9.438 10.300 1.00 43.12 O ATOM 1057 OE2 GLU A 64 10.805 -9.983 11.329 1.00 32.03 O ATOM 0 H GLU A 64 8.066 -7.713 10.567 1.00 4.24 H new ATOM 0 HA GLU A 64 8.814 -5.136 11.395 1.00 41.02 H new ATOM 0 HB2 GLU A 64 11.158 -5.947 11.178 1.00 41.04 H new ATOM 0 HB3 GLU A 64 10.123 -7.016 12.104 1.00 41.04 H new ATOM 0 HG2 GLU A 64 10.506 -7.634 9.178 1.00 1.14 H new ATOM 0 HG3 GLU A 64 11.855 -7.928 10.259 1.00 1.14 H new ATOM 1064 N VAL A 65 9.072 -5.664 8.175 1.00 11.15 N ATOM 1065 CA VAL A 65 9.238 -5.037 6.859 1.00 3.55 C ATOM 1066 C VAL A 65 8.207 -3.900 6.665 1.00 60.34 C ATOM 1067 O VAL A 65 8.588 -2.729 6.504 1.00 22.32 O ATOM 1068 CB VAL A 65 9.102 -6.130 5.732 1.00 10.02 C ATOM 1069 CG1 VAL A 65 9.054 -5.515 4.320 1.00 15.53 C ATOM 1070 CG2 VAL A 65 10.237 -7.180 5.844 1.00 22.40 C ATOM 0 H VAL A 65 8.682 -6.605 8.130 1.00 11.15 H new ATOM 0 HA VAL A 65 10.232 -4.594 6.794 1.00 3.55 H new ATOM 0 HB VAL A 65 8.148 -6.633 5.888 1.00 10.02 H new ATOM 0 HG11 VAL A 65 8.960 -6.310 3.580 1.00 15.53 H new ATOM 0 HG12 VAL A 65 8.198 -4.845 4.244 1.00 15.53 H new ATOM 0 HG13 VAL A 65 9.971 -4.954 4.136 1.00 15.53 H new ATOM 0 HG21 VAL A 65 10.123 -7.925 5.056 1.00 22.40 H new ATOM 0 HG22 VAL A 65 11.202 -6.685 5.738 1.00 22.40 H new ATOM 0 HG23 VAL A 65 10.185 -7.670 6.816 1.00 22.40 H new ATOM 1080 N VAL A 66 6.904 -4.259 6.761 1.00 40.15 N ATOM 1081 CA VAL A 66 5.791 -3.337 6.462 1.00 12.20 C ATOM 1082 C VAL A 66 5.818 -2.122 7.406 1.00 22.02 C ATOM 1083 O VAL A 66 5.735 -0.993 6.941 1.00 25.15 O ATOM 1084 CB VAL A 66 4.382 -4.045 6.548 1.00 51.11 C ATOM 1085 CG1 VAL A 66 3.245 -3.087 6.111 1.00 62.31 C ATOM 1086 CG2 VAL A 66 4.348 -5.342 5.709 1.00 42.41 C ATOM 0 H VAL A 66 6.600 -5.190 7.046 1.00 40.15 H new ATOM 0 HA VAL A 66 5.933 -3.002 5.434 1.00 12.20 H new ATOM 0 HB VAL A 66 4.220 -4.314 7.592 1.00 51.11 H new ATOM 0 HG11 VAL A 66 2.287 -3.603 6.181 1.00 62.31 H new ATOM 0 HG12 VAL A 66 3.235 -2.213 6.763 1.00 62.31 H new ATOM 0 HG13 VAL A 66 3.412 -2.770 5.082 1.00 62.31 H new ATOM 0 HG21 VAL A 66 3.364 -5.803 5.791 1.00 42.41 H new ATOM 0 HG22 VAL A 66 4.552 -5.105 4.665 1.00 42.41 H new ATOM 0 HG23 VAL A 66 5.105 -6.034 6.078 1.00 42.41 H new ATOM 1096 N ARG A 67 5.996 -2.387 8.721 1.00 71.34 N ATOM 1097 CA ARG A 67 5.983 -1.335 9.768 1.00 1.42 C ATOM 1098 C ARG A 67 7.097 -0.315 9.548 1.00 4.15 C ATOM 1099 O ARG A 67 6.910 0.859 9.817 1.00 23.34 O ATOM 1100 CB ARG A 67 6.124 -1.924 11.197 1.00 35.31 C ATOM 1101 CG ARG A 67 7.540 -2.445 11.545 1.00 24.30 C ATOM 1102 CD ARG A 67 7.657 -2.992 12.958 1.00 43.42 C ATOM 1103 NE ARG A 67 6.727 -4.103 13.196 1.00 73.32 N ATOM 1104 CZ ARG A 67 7.021 -5.245 13.822 1.00 71.45 C ATOM 1105 NH1 ARG A 67 8.247 -5.491 14.280 1.00 54.41 N ATOM 1106 NH2 ARG A 67 6.060 -6.112 14.041 1.00 12.43 N ATOM 0 H ARG A 67 6.151 -3.327 9.085 1.00 71.34 H new ATOM 0 HA ARG A 67 5.013 -0.844 9.685 1.00 1.42 H new ATOM 0 HB2 ARG A 67 5.846 -1.158 11.920 1.00 35.31 H new ATOM 0 HB3 ARG A 67 5.413 -2.742 11.310 1.00 35.31 H new ATOM 0 HG2 ARG A 67 7.814 -3.228 10.838 1.00 24.30 H new ATOM 0 HG3 ARG A 67 8.258 -1.635 11.418 1.00 24.30 H new ATOM 0 HD2 ARG A 67 8.678 -3.330 13.132 1.00 43.42 H new ATOM 0 HD3 ARG A 67 7.459 -2.194 13.673 1.00 43.42 H new ATOM 0 HE ARG A 67 5.773 -3.993 12.853 1.00 73.32 H new ATOM 0 HH11 ARG A 67 8.986 -4.799 14.156 1.00 54.41 H new ATOM 0 HH12 ARG A 67 8.447 -6.371 14.755 1.00 54.41 H new ATOM 0 HH21 ARG A 67 5.109 -5.907 13.734 1.00 12.43 H new ATOM 0 HH22 ARG A 67 6.264 -6.990 14.518 1.00 12.43 H new ATOM 1120 N ASP A 68 8.258 -0.802 9.063 1.00 33.12 N ATOM 1121 CA ASP A 68 9.468 0.009 8.915 1.00 42.34 C ATOM 1122 C ASP A 68 9.323 0.944 7.710 1.00 73.45 C ATOM 1123 O ASP A 68 9.850 2.055 7.708 1.00 52.32 O ATOM 1124 CB ASP A 68 10.712 -0.899 8.785 1.00 33.22 C ATOM 1125 CG ASP A 68 12.020 -0.105 8.907 1.00 12.22 C ATOM 1126 OD1 ASP A 68 12.377 0.303 10.032 1.00 34.43 O ATOM 1127 OD2 ASP A 68 12.704 0.107 7.893 1.00 35.54 O ATOM 0 H ASP A 68 8.375 -1.770 8.765 1.00 33.12 H new ATOM 0 HA ASP A 68 9.602 0.623 9.805 1.00 42.34 H new ATOM 0 HB2 ASP A 68 10.682 -1.668 9.557 1.00 33.22 H new ATOM 0 HB3 ASP A 68 10.688 -1.412 7.823 1.00 33.22 H new ATOM 1132 N ILE A 69 8.586 0.458 6.697 1.00 61.10 N ATOM 1133 CA ILE A 69 8.182 1.245 5.519 1.00 25.55 C ATOM 1134 C ILE A 69 7.071 2.276 5.887 1.00 34.42 C ATOM 1135 O ILE A 69 7.096 3.424 5.421 1.00 1.01 O ATOM 1136 CB ILE A 69 7.676 0.284 4.383 1.00 24.55 C ATOM 1137 CG1 ILE A 69 8.803 -0.719 3.957 1.00 4.52 C ATOM 1138 CG2 ILE A 69 7.150 1.081 3.174 1.00 32.13 C ATOM 1139 CD1 ILE A 69 8.349 -1.818 3.009 1.00 33.34 C ATOM 0 H ILE A 69 8.250 -0.505 6.673 1.00 61.10 H new ATOM 0 HA ILE A 69 9.050 1.799 5.162 1.00 25.55 H new ATOM 0 HB ILE A 69 6.844 -0.298 4.780 1.00 24.55 H new ATOM 0 HG12 ILE A 69 9.609 -0.159 3.483 1.00 4.52 H new ATOM 0 HG13 ILE A 69 9.219 -1.180 4.853 1.00 4.52 H new ATOM 0 HG21 ILE A 69 6.807 0.390 2.404 1.00 32.13 H new ATOM 0 HG22 ILE A 69 6.321 1.715 3.489 1.00 32.13 H new ATOM 0 HG23 ILE A 69 7.950 1.703 2.773 1.00 32.13 H new ATOM 0 HD11 ILE A 69 9.194 -2.463 2.769 1.00 33.34 H new ATOM 0 HD12 ILE A 69 7.565 -2.408 3.484 1.00 33.34 H new ATOM 0 HD13 ILE A 69 7.962 -1.371 2.093 1.00 33.34 H new ATOM 1151 N VAL A 70 6.120 1.846 6.742 1.00 73.53 N ATOM 1152 CA VAL A 70 4.985 2.677 7.199 1.00 60.12 C ATOM 1153 C VAL A 70 5.496 3.873 8.027 1.00 4.22 C ATOM 1154 O VAL A 70 5.177 5.026 7.723 1.00 55.21 O ATOM 1155 CB VAL A 70 3.950 1.805 8.029 1.00 12.42 C ATOM 1156 CG1 VAL A 70 2.953 2.670 8.837 1.00 5.11 C ATOM 1157 CG2 VAL A 70 3.184 0.832 7.098 1.00 4.13 C ATOM 0 H VAL A 70 6.117 0.906 7.138 1.00 73.53 H new ATOM 0 HA VAL A 70 4.465 3.068 6.325 1.00 60.12 H new ATOM 0 HB VAL A 70 4.533 1.230 8.749 1.00 12.42 H new ATOM 0 HG11 VAL A 70 2.269 2.021 9.385 1.00 5.11 H new ATOM 0 HG12 VAL A 70 3.502 3.296 9.541 1.00 5.11 H new ATOM 0 HG13 VAL A 70 2.385 3.303 8.155 1.00 5.11 H new ATOM 0 HG21 VAL A 70 2.480 0.244 7.687 1.00 4.13 H new ATOM 0 HG22 VAL A 70 2.640 1.402 6.345 1.00 4.13 H new ATOM 0 HG23 VAL A 70 3.892 0.165 6.607 1.00 4.13 H new ATOM 1167 N GLU A 71 6.337 3.570 9.033 1.00 70.01 N ATOM 1168 CA GLU A 71 6.903 4.578 9.948 1.00 21.43 C ATOM 1169 C GLU A 71 7.913 5.466 9.210 1.00 0.14 C ATOM 1170 O GLU A 71 8.101 6.624 9.582 1.00 23.41 O ATOM 1171 CB GLU A 71 7.572 3.912 11.177 1.00 14.12 C ATOM 1172 CG GLU A 71 8.845 3.113 10.859 1.00 45.43 C ATOM 1173 CD GLU A 71 9.458 2.413 12.076 1.00 1.05 C ATOM 1174 OE1 GLU A 71 8.846 1.457 12.593 1.00 1.43 O ATOM 1175 OE2 GLU A 71 10.568 2.801 12.503 1.00 32.10 O ATOM 0 H GLU A 71 6.643 2.618 9.234 1.00 70.01 H new ATOM 0 HA GLU A 71 6.082 5.199 10.307 1.00 21.43 H new ATOM 0 HB2 GLU A 71 7.817 4.686 11.904 1.00 14.12 H new ATOM 0 HB3 GLU A 71 6.850 3.247 11.651 1.00 14.12 H new ATOM 0 HG2 GLU A 71 8.613 2.365 10.101 1.00 45.43 H new ATOM 0 HG3 GLU A 71 9.586 3.786 10.427 1.00 45.43 H new ATOM 1182 N TYR A 72 8.559 4.897 8.166 1.00 62.13 N ATOM 1183 CA TYR A 72 9.437 5.649 7.264 1.00 64.22 C ATOM 1184 C TYR A 72 8.650 6.798 6.628 1.00 72.14 C ATOM 1185 O TYR A 72 9.021 7.957 6.782 1.00 22.30 O ATOM 1186 CB TYR A 72 10.032 4.719 6.173 1.00 62.25 C ATOM 1187 CG TYR A 72 10.921 5.426 5.148 1.00 70.41 C ATOM 1188 CD1 TYR A 72 12.130 6.009 5.532 1.00 61.11 C ATOM 1189 CD2 TYR A 72 10.548 5.523 3.798 1.00 32.10 C ATOM 1190 CE1 TYR A 72 12.929 6.662 4.619 1.00 53.31 C ATOM 1191 CE2 TYR A 72 11.349 6.172 2.885 1.00 53.41 C ATOM 1192 CZ TYR A 72 12.535 6.742 3.303 1.00 51.22 C ATOM 1193 OH TYR A 72 13.330 7.399 2.399 1.00 34.43 O ATOM 0 H TYR A 72 8.481 3.907 7.933 1.00 62.13 H new ATOM 0 HA TYR A 72 10.268 6.061 7.837 1.00 64.22 H new ATOM 0 HB2 TYR A 72 10.613 3.936 6.660 1.00 62.25 H new ATOM 0 HB3 TYR A 72 9.213 4.228 5.647 1.00 62.25 H new ATOM 0 HD1 TYR A 72 12.445 5.947 6.563 1.00 61.11 H new ATOM 0 HD2 TYR A 72 9.618 5.082 3.470 1.00 32.10 H new ATOM 0 HE1 TYR A 72 13.860 7.109 4.935 1.00 53.31 H new ATOM 0 HE2 TYR A 72 11.051 6.235 1.849 1.00 53.41 H new ATOM 0 HH TYR A 72 13.603 6.778 1.692 1.00 34.43 H new ATOM 1203 N ALA A 73 7.528 6.440 5.980 1.00 32.32 N ATOM 1204 CA ALA A 73 6.643 7.394 5.299 1.00 14.41 C ATOM 1205 C ALA A 73 5.969 8.369 6.291 1.00 20.54 C ATOM 1206 O ALA A 73 5.662 9.501 5.929 1.00 64.32 O ATOM 1207 CB ALA A 73 5.609 6.635 4.464 1.00 62.23 C ATOM 0 H ALA A 73 7.210 5.473 5.915 1.00 32.32 H new ATOM 0 HA ALA A 73 7.249 8.007 4.632 1.00 14.41 H new ATOM 0 HB1 ALA A 73 4.955 7.347 3.961 1.00 62.23 H new ATOM 0 HB2 ALA A 73 6.120 6.023 3.721 1.00 62.23 H new ATOM 0 HB3 ALA A 73 5.015 5.994 5.115 1.00 62.23 H new ATOM 1213 N GLN A 74 5.765 7.918 7.546 1.00 74.43 N ATOM 1214 CA GLN A 74 5.253 8.777 8.638 1.00 75.13 C ATOM 1215 C GLN A 74 6.277 9.874 9.014 1.00 52.41 C ATOM 1216 O GLN A 74 5.890 11.006 9.328 1.00 33.34 O ATOM 1217 CB GLN A 74 4.894 7.916 9.879 1.00 62.00 C ATOM 1218 CG GLN A 74 3.621 7.054 9.720 1.00 32.11 C ATOM 1219 CD GLN A 74 2.341 7.889 9.704 1.00 64.02 C ATOM 1220 OE1 GLN A 74 1.899 8.352 8.654 1.00 23.15 O ATOM 1221 NE2 GLN A 74 1.721 8.067 10.863 1.00 44.23 N ATOM 0 H GLN A 74 5.948 6.956 7.831 1.00 74.43 H new ATOM 0 HA GLN A 74 4.349 9.272 8.283 1.00 75.13 H new ATOM 0 HB2 GLN A 74 5.735 7.260 10.105 1.00 62.00 H new ATOM 0 HB3 GLN A 74 4.765 8.576 10.737 1.00 62.00 H new ATOM 0 HG2 GLN A 74 3.688 6.482 8.795 1.00 32.11 H new ATOM 0 HG3 GLN A 74 3.570 6.334 10.537 1.00 32.11 H new ATOM 0 HE21 GLN A 74 2.113 7.670 11.717 1.00 44.23 H new ATOM 0 HE22 GLN A 74 0.852 8.601 10.900 1.00 44.23 H new ATOM 1230 N LYS A 75 7.580 9.522 8.977 1.00 33.34 N ATOM 1231 CA LYS A 75 8.681 10.490 9.182 1.00 22.20 C ATOM 1232 C LYS A 75 8.768 11.447 7.981 1.00 21.14 C ATOM 1233 O LYS A 75 9.018 12.641 8.153 1.00 53.53 O ATOM 1234 CB LYS A 75 10.044 9.776 9.362 1.00 33.21 C ATOM 1235 CG LYS A 75 10.153 8.841 10.584 1.00 60.44 C ATOM 1236 CD LYS A 75 11.564 8.220 10.767 1.00 14.33 C ATOM 1237 CE LYS A 75 12.044 7.358 9.568 1.00 10.24 C ATOM 1238 NZ LYS A 75 12.542 8.176 8.412 1.00 32.20 N ATOM 0 H LYS A 75 7.897 8.568 8.806 1.00 33.34 H new ATOM 0 HA LYS A 75 8.463 11.048 10.092 1.00 22.20 H new ATOM 0 HB2 LYS A 75 10.250 9.195 8.463 1.00 33.21 H new ATOM 0 HB3 LYS A 75 10.823 10.534 9.437 1.00 33.21 H new ATOM 0 HG2 LYS A 75 9.892 9.399 11.483 1.00 60.44 H new ATOM 0 HG3 LYS A 75 9.422 8.039 10.483 1.00 60.44 H new ATOM 0 HD2 LYS A 75 12.283 9.023 10.933 1.00 14.33 H new ATOM 0 HD3 LYS A 75 11.563 7.603 11.665 1.00 14.33 H new ATOM 0 HE2 LYS A 75 12.840 6.693 9.903 1.00 10.24 H new ATOM 0 HE3 LYS A 75 11.222 6.727 9.230 1.00 10.24 H new ATOM 0 HZ1 LYS A 75 11.889 8.075 7.609 1.00 32.20 H new ATOM 0 HZ2 LYS A 75 12.595 9.176 8.692 1.00 32.20 H new ATOM 0 HZ3 LYS A 75 13.487 7.844 8.133 1.00 32.20 H new ATOM 1252 N GLU A 76 8.550 10.894 6.763 1.00 3.11 N ATOM 1253 CA GLU A 76 8.549 11.675 5.513 1.00 24.23 C ATOM 1254 C GLU A 76 7.368 12.680 5.495 1.00 5.40 C ATOM 1255 O GLU A 76 7.402 13.675 4.768 1.00 73.15 O ATOM 1256 CB GLU A 76 8.463 10.736 4.271 1.00 64.11 C ATOM 1257 CG GLU A 76 9.518 9.606 4.182 1.00 63.24 C ATOM 1258 CD GLU A 76 10.979 10.070 4.333 1.00 50.23 C ATOM 1259 OE1 GLU A 76 11.586 10.490 3.320 1.00 11.41 O ATOM 1260 OE2 GLU A 76 11.528 9.999 5.465 1.00 20.21 O ATOM 0 H GLU A 76 8.371 9.899 6.625 1.00 3.11 H new ATOM 0 HA GLU A 76 9.486 12.231 5.467 1.00 24.23 H new ATOM 0 HB2 GLU A 76 7.473 10.280 4.257 1.00 64.11 H new ATOM 0 HB3 GLU A 76 8.544 11.350 3.374 1.00 64.11 H new ATOM 0 HG2 GLU A 76 9.305 8.868 4.955 1.00 63.24 H new ATOM 0 HG3 GLU A 76 9.409 9.102 3.222 1.00 63.24 H new ATOM 1267 N GLY A 77 6.326 12.380 6.301 1.00 63.45 N ATOM 1268 CA GLY A 77 5.148 13.241 6.448 1.00 51.22 C ATOM 1269 C GLY A 77 4.109 12.984 5.369 1.00 53.52 C ATOM 1270 O GLY A 77 3.356 13.883 4.988 1.00 14.52 O ATOM 0 H GLY A 77 6.285 11.531 6.866 1.00 63.45 H new ATOM 0 HA2 GLY A 77 4.700 13.076 7.428 1.00 51.22 H new ATOM 0 HA3 GLY A 77 5.457 14.286 6.411 1.00 51.22 H new ATOM 1274 N LEU A 78 4.071 11.731 4.893 1.00 52.43 N ATOM 1275 CA LEU A 78 3.209 11.288 3.786 1.00 20.30 C ATOM 1276 C LEU A 78 2.058 10.430 4.336 1.00 71.14 C ATOM 1277 O LEU A 78 2.257 9.654 5.283 1.00 2.41 O ATOM 1278 CB LEU A 78 4.056 10.486 2.752 1.00 1.41 C ATOM 1279 CG LEU A 78 5.356 11.192 2.243 1.00 63.31 C ATOM 1280 CD1 LEU A 78 6.129 10.316 1.236 1.00 71.01 C ATOM 1281 CD2 LEU A 78 5.051 12.579 1.646 1.00 11.30 C ATOM 0 H LEU A 78 4.650 10.982 5.274 1.00 52.43 H new ATOM 0 HA LEU A 78 2.781 12.156 3.284 1.00 20.30 H new ATOM 0 HB2 LEU A 78 4.335 9.533 3.201 1.00 1.41 H new ATOM 0 HB3 LEU A 78 3.426 10.261 1.891 1.00 1.41 H new ATOM 0 HG LEU A 78 5.998 11.337 3.112 1.00 63.31 H new ATOM 0 HD11 LEU A 78 7.025 10.843 0.908 1.00 71.01 H new ATOM 0 HD12 LEU A 78 6.414 9.379 1.713 1.00 71.01 H new ATOM 0 HD13 LEU A 78 5.495 10.106 0.375 1.00 71.01 H new ATOM 0 HD21 LEU A 78 5.978 13.039 1.303 1.00 11.30 H new ATOM 0 HD22 LEU A 78 4.367 12.470 0.805 1.00 11.30 H new ATOM 0 HD23 LEU A 78 4.593 13.210 2.407 1.00 11.30 H new ATOM 1293 N ARG A 79 0.863 10.583 3.740 1.00 15.31 N ATOM 1294 CA ARG A 79 -0.364 9.888 4.171 1.00 75.13 C ATOM 1295 C ARG A 79 -0.254 8.375 3.878 1.00 43.22 C ATOM 1296 O ARG A 79 -0.288 7.964 2.717 1.00 4.31 O ATOM 1297 CB ARG A 79 -1.587 10.487 3.431 1.00 40.41 C ATOM 1298 CG ARG A 79 -2.962 9.959 3.904 1.00 41.12 C ATOM 1299 CD ARG A 79 -4.112 10.360 2.964 1.00 72.31 C ATOM 1300 NE ARG A 79 -4.131 11.806 2.665 1.00 40.24 N ATOM 1301 CZ ARG A 79 -5.094 12.669 3.030 1.00 72.11 C ATOM 1302 NH1 ARG A 79 -6.153 12.265 3.734 1.00 1.51 N ATOM 1303 NH2 ARG A 79 -5.000 13.942 2.671 1.00 15.44 N ATOM 0 H ARG A 79 0.720 11.198 2.939 1.00 15.31 H new ATOM 0 HA ARG A 79 -0.492 10.024 5.245 1.00 75.13 H new ATOM 0 HB2 ARG A 79 -1.570 11.570 3.551 1.00 40.41 H new ATOM 0 HB3 ARG A 79 -1.483 10.283 2.365 1.00 40.41 H new ATOM 0 HG2 ARG A 79 -2.922 8.872 3.979 1.00 41.12 H new ATOM 0 HG3 ARG A 79 -3.167 10.340 4.904 1.00 41.12 H new ATOM 0 HD2 ARG A 79 -4.024 9.802 2.032 1.00 72.31 H new ATOM 0 HD3 ARG A 79 -5.061 10.075 3.417 1.00 72.31 H new ATOM 0 HE ARG A 79 -3.345 12.182 2.135 1.00 40.24 H new ATOM 0 HH11 ARG A 79 -6.242 11.286 4.005 1.00 1.51 H new ATOM 0 HH12 ARG A 79 -6.874 12.936 4.002 1.00 1.51 H new ATOM 0 HH21 ARG A 79 -4.201 14.259 2.122 1.00 15.44 H new ATOM 0 HH22 ARG A 79 -5.727 14.604 2.944 1.00 15.44 H new ATOM 1317 N VAL A 80 -0.147 7.553 4.936 1.00 30.42 N ATOM 1318 CA VAL A 80 0.067 6.102 4.801 1.00 52.13 C ATOM 1319 C VAL A 80 -1.271 5.351 4.900 1.00 12.43 C ATOM 1320 O VAL A 80 -2.066 5.576 5.821 1.00 50.42 O ATOM 1321 CB VAL A 80 1.068 5.529 5.878 1.00 51.44 C ATOM 1322 CG1 VAL A 80 1.430 4.056 5.562 1.00 52.25 C ATOM 1323 CG2 VAL A 80 2.336 6.398 5.974 1.00 65.10 C ATOM 0 H VAL A 80 -0.206 7.873 5.903 1.00 30.42 H new ATOM 0 HA VAL A 80 0.513 5.946 3.819 1.00 52.13 H new ATOM 0 HB VAL A 80 0.571 5.557 6.848 1.00 51.44 H new ATOM 0 HG11 VAL A 80 2.121 3.681 6.317 1.00 52.25 H new ATOM 0 HG12 VAL A 80 0.524 3.450 5.566 1.00 52.25 H new ATOM 0 HG13 VAL A 80 1.900 3.999 4.580 1.00 52.25 H new ATOM 0 HG21 VAL A 80 3.008 5.980 6.724 1.00 65.10 H new ATOM 0 HG22 VAL A 80 2.838 6.417 5.007 1.00 65.10 H new ATOM 0 HG23 VAL A 80 2.061 7.413 6.260 1.00 65.10 H new ATOM 1333 N LEU A 81 -1.519 4.511 3.892 1.00 30.24 N ATOM 1334 CA LEU A 81 -2.611 3.531 3.859 1.00 51.25 C ATOM 1335 C LEU A 81 -1.959 2.137 3.843 1.00 4.15 C ATOM 1336 O LEU A 81 -0.814 2.009 3.415 1.00 3.31 O ATOM 1337 CB LEU A 81 -3.491 3.715 2.586 1.00 54.15 C ATOM 1338 CG LEU A 81 -4.272 5.069 2.397 1.00 24.33 C ATOM 1339 CD1 LEU A 81 -5.205 5.360 3.578 1.00 25.30 C ATOM 1340 CD2 LEU A 81 -3.338 6.263 2.120 1.00 12.42 C ATOM 0 H LEU A 81 -0.947 4.493 3.048 1.00 30.24 H new ATOM 0 HA LEU A 81 -3.260 3.660 4.725 1.00 51.25 H new ATOM 0 HB2 LEU A 81 -2.847 3.580 1.717 1.00 54.15 H new ATOM 0 HB3 LEU A 81 -4.222 2.907 2.570 1.00 54.15 H new ATOM 0 HG LEU A 81 -4.889 4.938 1.508 1.00 24.33 H new ATOM 0 HD11 LEU A 81 -5.725 6.303 3.408 1.00 25.30 H new ATOM 0 HD12 LEU A 81 -5.935 4.556 3.672 1.00 25.30 H new ATOM 0 HD13 LEU A 81 -4.620 5.429 4.495 1.00 25.30 H new ATOM 0 HD21 LEU A 81 -3.932 7.169 1.998 1.00 12.42 H new ATOM 0 HD22 LEU A 81 -2.651 6.389 2.957 1.00 12.42 H new ATOM 0 HD23 LEU A 81 -2.770 6.077 1.209 1.00 12.42 H new ATOM 1352 N VAL A 82 -2.662 1.099 4.329 1.00 43.21 N ATOM 1353 CA VAL A 82 -2.147 -0.296 4.332 1.00 43.03 C ATOM 1354 C VAL A 82 -3.266 -1.271 3.923 1.00 34.24 C ATOM 1355 O VAL A 82 -4.291 -1.359 4.600 1.00 70.31 O ATOM 1356 CB VAL A 82 -1.562 -0.739 5.734 1.00 44.13 C ATOM 1357 CG1 VAL A 82 -1.086 -2.214 5.710 1.00 72.41 C ATOM 1358 CG2 VAL A 82 -0.413 0.185 6.197 1.00 73.20 C ATOM 0 H VAL A 82 -3.596 1.194 4.729 1.00 43.21 H new ATOM 0 HA VAL A 82 -1.329 -0.325 3.613 1.00 43.03 H new ATOM 0 HB VAL A 82 -2.376 -0.651 6.454 1.00 44.13 H new ATOM 0 HG11 VAL A 82 -0.690 -2.485 6.689 1.00 72.41 H new ATOM 0 HG12 VAL A 82 -1.927 -2.864 5.466 1.00 72.41 H new ATOM 0 HG13 VAL A 82 -0.306 -2.332 4.958 1.00 72.41 H new ATOM 0 HG21 VAL A 82 -0.040 -0.154 7.163 1.00 73.20 H new ATOM 0 HG22 VAL A 82 0.395 0.156 5.466 1.00 73.20 H new ATOM 0 HG23 VAL A 82 -0.782 1.206 6.289 1.00 73.20 H new ATOM 1368 N ILE A 83 -3.043 -1.991 2.810 1.00 34.32 N ATOM 1369 CA ILE A 83 -3.878 -3.114 2.354 1.00 50.11 C ATOM 1370 C ILE A 83 -3.046 -4.393 2.494 1.00 24.33 C ATOM 1371 O ILE A 83 -1.865 -4.395 2.139 1.00 53.34 O ATOM 1372 CB ILE A 83 -4.320 -2.966 0.845 1.00 24.42 C ATOM 1373 CG1 ILE A 83 -5.036 -1.610 0.609 1.00 32.01 C ATOM 1374 CG2 ILE A 83 -5.221 -4.151 0.406 1.00 42.21 C ATOM 1375 CD1 ILE A 83 -5.563 -1.406 -0.796 1.00 1.21 C ATOM 0 H ILE A 83 -2.257 -1.803 2.188 1.00 34.32 H new ATOM 0 HA ILE A 83 -4.784 -3.138 2.959 1.00 50.11 H new ATOM 0 HB ILE A 83 -3.420 -2.986 0.230 1.00 24.42 H new ATOM 0 HG12 ILE A 83 -5.867 -1.527 1.309 1.00 32.01 H new ATOM 0 HG13 ILE A 83 -4.341 -0.803 0.842 1.00 32.01 H new ATOM 0 HG21 ILE A 83 -5.510 -4.022 -0.637 1.00 42.21 H new ATOM 0 HG22 ILE A 83 -4.672 -5.086 0.517 1.00 42.21 H new ATOM 0 HG23 ILE A 83 -6.115 -4.179 1.029 1.00 42.21 H new ATOM 0 HD11 ILE A 83 -6.047 -0.432 -0.865 1.00 1.21 H new ATOM 0 HD12 ILE A 83 -4.736 -1.452 -1.505 1.00 1.21 H new ATOM 0 HD13 ILE A 83 -6.286 -2.187 -1.031 1.00 1.21 H new ATOM 1387 N MET A 84 -3.643 -5.462 3.032 1.00 62.11 N ATOM 1388 CA MET A 84 -3.000 -6.784 3.128 1.00 21.41 C ATOM 1389 C MET A 84 -4.023 -7.864 2.727 1.00 20.44 C ATOM 1390 O MET A 84 -5.112 -7.942 3.305 1.00 33.21 O ATOM 1391 CB MET A 84 -2.439 -7.004 4.563 1.00 14.02 C ATOM 1392 CG MET A 84 -1.196 -6.159 4.892 1.00 34.54 C ATOM 1393 SD MET A 84 -0.618 -6.367 6.584 1.00 64.12 S ATOM 1394 CE MET A 84 -1.958 -5.629 7.515 1.00 41.44 C ATOM 0 H MET A 84 -4.588 -5.438 3.415 1.00 62.11 H new ATOM 0 HA MET A 84 -2.153 -6.847 2.445 1.00 21.41 H new ATOM 0 HB2 MET A 84 -3.222 -6.775 5.286 1.00 14.02 H new ATOM 0 HB3 MET A 84 -2.191 -8.058 4.686 1.00 14.02 H new ATOM 0 HG2 MET A 84 -0.392 -6.426 4.206 1.00 34.54 H new ATOM 0 HG3 MET A 84 -1.425 -5.107 4.721 1.00 34.54 H new ATOM 0 HE1 MET A 84 -1.649 -5.493 8.551 1.00 41.44 H new ATOM 0 HE2 MET A 84 -2.212 -4.662 7.082 1.00 41.44 H new ATOM 0 HE3 MET A 84 -2.829 -6.283 7.479 1.00 41.44 H new ATOM 1404 N VAL A 85 -3.666 -8.666 1.697 1.00 4.22 N ATOM 1405 CA VAL A 85 -4.570 -9.632 1.037 1.00 5.34 C ATOM 1406 C VAL A 85 -3.836 -10.976 0.873 1.00 71.14 C ATOM 1407 O VAL A 85 -2.833 -11.056 0.162 1.00 71.01 O ATOM 1408 CB VAL A 85 -5.045 -9.110 -0.373 1.00 5.13 C ATOM 1409 CG1 VAL A 85 -6.051 -10.083 -1.039 1.00 14.14 C ATOM 1410 CG2 VAL A 85 -5.630 -7.689 -0.264 1.00 74.20 C ATOM 0 H VAL A 85 -2.728 -8.659 1.297 1.00 4.22 H new ATOM 0 HA VAL A 85 -5.455 -9.758 1.661 1.00 5.34 H new ATOM 0 HB VAL A 85 -4.168 -9.066 -1.018 1.00 5.13 H new ATOM 0 HG11 VAL A 85 -6.353 -9.686 -2.008 1.00 14.14 H new ATOM 0 HG12 VAL A 85 -5.580 -11.056 -1.176 1.00 14.14 H new ATOM 0 HG13 VAL A 85 -6.929 -10.192 -0.402 1.00 14.14 H new ATOM 0 HG21 VAL A 85 -5.951 -7.351 -1.249 1.00 74.20 H new ATOM 0 HG22 VAL A 85 -6.485 -7.698 0.412 1.00 74.20 H new ATOM 0 HG23 VAL A 85 -4.869 -7.011 0.122 1.00 74.20 H new ATOM 1420 N ASP A 86 -4.362 -12.017 1.515 1.00 43.42 N ATOM 1421 CA ASP A 86 -3.704 -13.334 1.621 1.00 45.52 C ATOM 1422 C ASP A 86 -4.729 -14.334 2.171 1.00 12.52 C ATOM 1423 O ASP A 86 -5.496 -13.985 3.072 1.00 11.54 O ATOM 1424 CB ASP A 86 -2.471 -13.218 2.569 1.00 72.22 C ATOM 1425 CG ASP A 86 -1.541 -14.442 2.634 1.00 41.43 C ATOM 1426 OD1 ASP A 86 -0.337 -14.305 2.363 1.00 50.35 O ATOM 1427 OD2 ASP A 86 -1.998 -15.539 2.957 1.00 42.23 O ATOM 0 H ASP A 86 -5.267 -11.978 1.984 1.00 43.42 H new ATOM 0 HA ASP A 86 -3.352 -13.676 0.648 1.00 45.52 H new ATOM 0 HB2 ASP A 86 -1.880 -12.356 2.258 1.00 72.22 H new ATOM 0 HB3 ASP A 86 -2.833 -13.010 3.576 1.00 72.22 H new ATOM 1432 N GLN A 87 -4.715 -15.571 1.635 1.00 0.34 N ATOM 1433 CA GLN A 87 -5.669 -16.639 2.012 1.00 1.13 C ATOM 1434 C GLN A 87 -5.538 -17.014 3.503 1.00 53.41 C ATOM 1435 O GLN A 87 -6.535 -17.342 4.167 1.00 24.40 O ATOM 1436 CB GLN A 87 -5.459 -17.884 1.108 1.00 62.54 C ATOM 1437 CG GLN A 87 -5.572 -17.594 -0.410 1.00 31.03 C ATOM 1438 CD GLN A 87 -6.924 -16.987 -0.829 1.00 24.25 C ATOM 1439 OE1 GLN A 87 -7.969 -17.281 -0.253 1.00 12.44 O ATOM 1440 NE2 GLN A 87 -6.916 -16.133 -1.840 1.00 24.32 N ATOM 0 H GLN A 87 -4.041 -15.860 0.926 1.00 0.34 H new ATOM 0 HA GLN A 87 -6.680 -16.261 1.860 1.00 1.13 H new ATOM 0 HB2 GLN A 87 -4.475 -18.306 1.313 1.00 62.54 H new ATOM 0 HB3 GLN A 87 -6.194 -18.643 1.377 1.00 62.54 H new ATOM 0 HG2 GLN A 87 -4.773 -16.912 -0.700 1.00 31.03 H new ATOM 0 HG3 GLN A 87 -5.415 -18.522 -0.960 1.00 31.03 H new ATOM 0 HE21 GLN A 87 -6.038 -15.902 -2.305 1.00 24.32 H new ATOM 0 HE22 GLN A 87 -7.788 -15.706 -2.154 1.00 24.32 H new ATOM 1449 N ASP A 88 -4.297 -16.970 4.004 1.00 2.53 N ATOM 1450 CA ASP A 88 -3.990 -17.090 5.435 1.00 21.50 C ATOM 1451 C ASP A 88 -4.287 -15.749 6.118 1.00 22.15 C ATOM 1452 O ASP A 88 -3.412 -14.879 6.231 1.00 60.33 O ATOM 1453 CB ASP A 88 -2.513 -17.508 5.656 1.00 75.21 C ATOM 1454 CG ASP A 88 -2.179 -18.874 5.044 1.00 33.44 C ATOM 1455 OD1 ASP A 88 -1.547 -18.930 3.974 1.00 31.43 O ATOM 1456 OD2 ASP A 88 -2.571 -19.904 5.630 1.00 65.43 O ATOM 0 H ASP A 88 -3.469 -16.849 3.421 1.00 2.53 H new ATOM 0 HA ASP A 88 -4.614 -17.869 5.874 1.00 21.50 H new ATOM 0 HB2 ASP A 88 -1.858 -16.752 5.222 1.00 75.21 H new ATOM 0 HB3 ASP A 88 -2.305 -17.534 6.726 1.00 75.21 H new ATOM 1461 N GLN A 89 -5.558 -15.588 6.529 1.00 33.55 N ATOM 1462 CA GLN A 89 -6.070 -14.336 7.107 1.00 52.21 C ATOM 1463 C GLN A 89 -5.447 -14.060 8.485 1.00 53.22 C ATOM 1464 O GLN A 89 -5.206 -12.910 8.838 1.00 72.55 O ATOM 1465 CB GLN A 89 -7.618 -14.386 7.215 1.00 33.21 C ATOM 1466 CG GLN A 89 -8.260 -13.109 7.793 1.00 52.15 C ATOM 1467 CD GLN A 89 -7.953 -11.836 6.995 1.00 33.03 C ATOM 1468 OE1 GLN A 89 -7.827 -10.759 7.565 1.00 13.24 O ATOM 1469 NE2 GLN A 89 -7.875 -11.927 5.673 1.00 41.33 N ATOM 0 H GLN A 89 -6.260 -16.326 6.469 1.00 33.55 H new ATOM 0 HA GLN A 89 -5.787 -13.520 6.442 1.00 52.21 H new ATOM 0 HB2 GLN A 89 -8.033 -14.570 6.224 1.00 33.21 H new ATOM 0 HB3 GLN A 89 -7.899 -15.234 7.840 1.00 33.21 H new ATOM 0 HG2 GLN A 89 -9.340 -13.246 7.836 1.00 52.15 H new ATOM 0 HG3 GLN A 89 -7.915 -12.974 8.818 1.00 52.15 H new ATOM 0 HE21 GLN A 89 -7.983 -12.833 5.217 1.00 41.33 H new ATOM 0 HE22 GLN A 89 -7.707 -11.091 5.113 1.00 41.33 H new ATOM 1478 N GLU A 90 -5.172 -15.133 9.237 1.00 2.33 N ATOM 1479 CA GLU A 90 -4.606 -15.038 10.594 1.00 74.51 C ATOM 1480 C GLU A 90 -3.207 -14.388 10.579 1.00 24.21 C ATOM 1481 O GLU A 90 -2.856 -13.656 11.503 1.00 72.23 O ATOM 1482 CB GLU A 90 -4.566 -16.437 11.238 1.00 73.21 C ATOM 1483 CG GLU A 90 -5.950 -17.103 11.381 1.00 5.11 C ATOM 1484 CD GLU A 90 -5.858 -18.537 11.914 1.00 1.12 C ATOM 1485 OE1 GLU A 90 -5.903 -18.731 13.148 1.00 2.01 O ATOM 1486 OE2 GLU A 90 -5.706 -19.467 11.101 1.00 3.43 O ATOM 0 H GLU A 90 -5.334 -16.091 8.925 1.00 2.33 H new ATOM 0 HA GLU A 90 -5.248 -14.393 11.194 1.00 74.51 H new ATOM 0 HB2 GLU A 90 -3.924 -17.083 10.639 1.00 73.21 H new ATOM 0 HB3 GLU A 90 -4.109 -16.359 12.224 1.00 73.21 H new ATOM 0 HG2 GLU A 90 -6.568 -16.508 12.053 1.00 5.11 H new ATOM 0 HG3 GLU A 90 -6.448 -17.110 10.412 1.00 5.11 H new ATOM 1493 N GLU A 91 -2.433 -14.643 9.503 1.00 70.35 N ATOM 1494 CA GLU A 91 -1.116 -14.008 9.306 1.00 12.12 C ATOM 1495 C GLU A 91 -1.300 -12.496 9.079 1.00 42.12 C ATOM 1496 O GLU A 91 -0.548 -11.687 9.621 1.00 74.41 O ATOM 1497 CB GLU A 91 -0.347 -14.649 8.120 1.00 23.43 C ATOM 1498 CG GLU A 91 1.088 -14.109 7.942 1.00 23.22 C ATOM 1499 CD GLU A 91 1.864 -14.810 6.823 1.00 72.22 C ATOM 1500 OE1 GLU A 91 2.482 -15.869 7.087 1.00 45.54 O ATOM 1501 OE2 GLU A 91 1.858 -14.317 5.674 1.00 71.44 O ATOM 0 H GLU A 91 -2.700 -15.286 8.757 1.00 70.35 H new ATOM 0 HA GLU A 91 -0.519 -14.168 10.204 1.00 12.12 H new ATOM 0 HB2 GLU A 91 -0.303 -15.728 8.269 1.00 23.43 H new ATOM 0 HB3 GLU A 91 -0.907 -14.476 7.201 1.00 23.43 H new ATOM 0 HG2 GLU A 91 1.043 -13.041 7.730 1.00 23.22 H new ATOM 0 HG3 GLU A 91 1.632 -14.225 8.880 1.00 23.22 H new ATOM 1508 N LEU A 92 -2.343 -12.141 8.302 1.00 33.54 N ATOM 1509 CA LEU A 92 -2.693 -10.739 8.014 1.00 63.43 C ATOM 1510 C LEU A 92 -3.109 -9.996 9.288 1.00 3.42 C ATOM 1511 O LEU A 92 -2.724 -8.855 9.475 1.00 72.45 O ATOM 1512 CB LEU A 92 -3.842 -10.652 6.986 1.00 64.15 C ATOM 1513 CG LEU A 92 -3.564 -11.273 5.598 1.00 13.52 C ATOM 1514 CD1 LEU A 92 -4.755 -11.031 4.651 1.00 65.02 C ATOM 1515 CD2 LEU A 92 -2.234 -10.741 5.019 1.00 31.31 C ATOM 0 H LEU A 92 -2.964 -12.818 7.858 1.00 33.54 H new ATOM 0 HA LEU A 92 -1.801 -10.269 7.600 1.00 63.43 H new ATOM 0 HB2 LEU A 92 -4.719 -11.140 7.410 1.00 64.15 H new ATOM 0 HB3 LEU A 92 -4.098 -9.602 6.846 1.00 64.15 H new ATOM 0 HG LEU A 92 -3.454 -12.352 5.707 1.00 13.52 H new ATOM 0 HD11 LEU A 92 -4.542 -11.475 3.678 1.00 65.02 H new ATOM 0 HD12 LEU A 92 -5.652 -11.488 5.070 1.00 65.02 H new ATOM 0 HD13 LEU A 92 -4.915 -9.959 4.534 1.00 65.02 H new ATOM 0 HD21 LEU A 92 -2.057 -11.190 4.042 1.00 31.31 H new ATOM 0 HD22 LEU A 92 -2.290 -9.657 4.915 1.00 31.31 H new ATOM 0 HD23 LEU A 92 -1.415 -10.999 5.691 1.00 31.31 H new ATOM 1527 N GLU A 93 -3.891 -10.679 10.147 1.00 43.12 N ATOM 1528 CA GLU A 93 -4.399 -10.122 11.418 1.00 32.01 C ATOM 1529 C GLU A 93 -3.251 -9.893 12.417 1.00 74.42 C ATOM 1530 O GLU A 93 -3.354 -9.037 13.291 1.00 43.40 O ATOM 1531 CB GLU A 93 -5.477 -11.057 12.029 1.00 51.22 C ATOM 1532 CG GLU A 93 -6.737 -11.245 11.160 1.00 62.31 C ATOM 1533 CD GLU A 93 -7.731 -12.250 11.771 1.00 14.12 C ATOM 1534 OE1 GLU A 93 -8.786 -11.830 12.300 1.00 31.33 O ATOM 1535 OE2 GLU A 93 -7.445 -13.463 11.745 1.00 71.00 O ATOM 0 H GLU A 93 -4.190 -11.639 9.978 1.00 43.12 H new ATOM 0 HA GLU A 93 -4.858 -9.157 11.206 1.00 32.01 H new ATOM 0 HB2 GLU A 93 -5.029 -12.034 12.211 1.00 51.22 H new ATOM 0 HB3 GLU A 93 -5.777 -10.658 12.998 1.00 51.22 H new ATOM 0 HG2 GLU A 93 -7.232 -10.283 11.031 1.00 62.31 H new ATOM 0 HG3 GLU A 93 -6.442 -11.588 10.168 1.00 62.31 H new ATOM 1542 N ARG A 94 -2.167 -10.672 12.260 1.00 42.24 N ATOM 1543 CA ARG A 94 -0.936 -10.526 13.055 1.00 73.30 C ATOM 1544 C ARG A 94 -0.227 -9.201 12.699 1.00 54.52 C ATOM 1545 O ARG A 94 0.133 -8.420 13.592 1.00 4.25 O ATOM 1546 CB ARG A 94 -0.011 -11.754 12.801 1.00 65.44 C ATOM 1547 CG ARG A 94 1.414 -11.661 13.385 1.00 14.54 C ATOM 1548 CD ARG A 94 1.450 -11.553 14.918 1.00 35.34 C ATOM 1549 NE ARG A 94 2.837 -11.461 15.402 1.00 15.14 N ATOM 1550 CZ ARG A 94 3.231 -11.571 16.673 1.00 43.05 C ATOM 1551 NH1 ARG A 94 2.353 -11.790 17.652 1.00 22.05 N ATOM 1552 NH2 ARG A 94 4.518 -11.456 16.967 1.00 34.04 N ATOM 0 H ARG A 94 -2.120 -11.425 11.574 1.00 42.24 H new ATOM 0 HA ARG A 94 -1.183 -10.493 14.116 1.00 73.30 H new ATOM 0 HB2 ARG A 94 -0.494 -12.639 13.214 1.00 65.44 H new ATOM 0 HB3 ARG A 94 0.068 -11.907 11.725 1.00 65.44 H new ATOM 0 HG2 ARG A 94 1.980 -12.540 13.079 1.00 14.54 H new ATOM 0 HG3 ARG A 94 1.916 -10.793 12.957 1.00 14.54 H new ATOM 0 HD2 ARG A 94 0.889 -10.675 15.239 1.00 35.34 H new ATOM 0 HD3 ARG A 94 0.962 -12.422 15.360 1.00 35.34 H new ATOM 0 HE ARG A 94 3.562 -11.299 14.704 1.00 15.14 H new ATOM 0 HH11 ARG A 94 1.360 -11.877 17.436 1.00 22.05 H new ATOM 0 HH12 ARG A 94 2.674 -11.871 18.617 1.00 22.05 H new ATOM 0 HH21 ARG A 94 5.197 -11.285 16.225 1.00 34.04 H new ATOM 0 HH22 ARG A 94 4.829 -11.538 17.935 1.00 34.04 H new ATOM 1566 N ILE A 95 -0.062 -8.958 11.385 1.00 60.05 N ATOM 1567 CA ILE A 95 0.605 -7.746 10.872 1.00 45.23 C ATOM 1568 C ILE A 95 -0.298 -6.512 11.151 1.00 55.43 C ATOM 1569 O ILE A 95 0.173 -5.463 11.583 1.00 42.13 O ATOM 1570 CB ILE A 95 0.917 -7.852 9.324 1.00 21.42 C ATOM 1571 CG1 ILE A 95 1.410 -9.277 8.899 1.00 65.12 C ATOM 1572 CG2 ILE A 95 1.933 -6.782 8.880 1.00 43.03 C ATOM 1573 CD1 ILE A 95 2.626 -9.819 9.635 1.00 20.12 C ATOM 0 H ILE A 95 -0.385 -9.591 10.653 1.00 60.05 H new ATOM 0 HA ILE A 95 1.560 -7.638 11.387 1.00 45.23 H new ATOM 0 HB ILE A 95 -0.029 -7.671 8.814 1.00 21.42 H new ATOM 0 HG12 ILE A 95 0.587 -9.978 9.036 1.00 65.12 H new ATOM 0 HG13 ILE A 95 1.637 -9.256 7.833 1.00 65.12 H new ATOM 0 HG21 ILE A 95 2.125 -6.883 7.812 1.00 43.03 H new ATOM 0 HG22 ILE A 95 1.529 -5.790 9.084 1.00 43.03 H new ATOM 0 HG23 ILE A 95 2.865 -6.915 9.430 1.00 43.03 H new ATOM 0 HD11 ILE A 95 2.870 -10.810 9.253 1.00 20.12 H new ATOM 0 HD12 ILE A 95 3.473 -9.151 9.479 1.00 20.12 H new ATOM 0 HD13 ILE A 95 2.407 -9.884 10.701 1.00 20.12 H new ATOM 1585 N TYR A 96 -1.613 -6.721 10.938 1.00 73.10 N ATOM 1586 CA TYR A 96 -2.689 -5.720 11.122 1.00 14.54 C ATOM 1587 C TYR A 96 -2.701 -5.174 12.549 1.00 41.53 C ATOM 1588 O TYR A 96 -2.760 -3.963 12.741 1.00 13.31 O ATOM 1589 CB TYR A 96 -4.054 -6.394 10.788 1.00 73.51 C ATOM 1590 CG TYR A 96 -5.340 -5.568 11.025 1.00 70.11 C ATOM 1591 CD1 TYR A 96 -5.947 -4.850 9.991 1.00 71.30 C ATOM 1592 CD2 TYR A 96 -5.961 -5.537 12.280 1.00 70.55 C ATOM 1593 CE1 TYR A 96 -7.116 -4.137 10.200 1.00 14.32 C ATOM 1594 CE2 TYR A 96 -7.123 -4.820 12.493 1.00 22.23 C ATOM 1595 CZ TYR A 96 -7.698 -4.122 11.453 1.00 54.42 C ATOM 1596 OH TYR A 96 -8.858 -3.399 11.674 1.00 34.14 O ATOM 0 H TYR A 96 -1.970 -7.623 10.622 1.00 73.10 H new ATOM 0 HA TYR A 96 -2.513 -4.877 10.454 1.00 14.54 H new ATOM 0 HB2 TYR A 96 -4.034 -6.690 9.739 1.00 73.51 H new ATOM 0 HB3 TYR A 96 -4.129 -7.309 11.376 1.00 73.51 H new ATOM 0 HD1 TYR A 96 -5.496 -4.851 9.010 1.00 71.30 H new ATOM 0 HD2 TYR A 96 -5.522 -6.086 13.100 1.00 70.55 H new ATOM 0 HE1 TYR A 96 -7.572 -3.594 9.385 1.00 14.32 H new ATOM 0 HE2 TYR A 96 -7.579 -4.807 13.472 1.00 22.23 H new ATOM 0 HH TYR A 96 -9.132 -3.498 12.610 1.00 34.14 H new ATOM 1606 N GLU A 97 -2.648 -6.101 13.522 1.00 54.53 N ATOM 1607 CA GLU A 97 -2.745 -5.800 14.963 1.00 1.44 C ATOM 1608 C GLU A 97 -1.668 -4.768 15.374 1.00 4.23 C ATOM 1609 O GLU A 97 -1.950 -3.825 16.118 1.00 51.23 O ATOM 1610 CB GLU A 97 -2.597 -7.132 15.762 1.00 31.31 C ATOM 1611 CG GLU A 97 -3.146 -7.152 17.216 1.00 3.14 C ATOM 1612 CD GLU A 97 -2.355 -6.303 18.226 1.00 2.50 C ATOM 1613 OE1 GLU A 97 -1.158 -6.586 18.443 1.00 74.24 O ATOM 1614 OE2 GLU A 97 -2.935 -5.367 18.832 1.00 64.13 O ATOM 0 H GLU A 97 -2.535 -7.096 13.327 1.00 54.53 H new ATOM 0 HA GLU A 97 -3.715 -5.357 15.188 1.00 1.44 H new ATOM 0 HB2 GLU A 97 -3.098 -7.920 15.201 1.00 31.31 H new ATOM 0 HB3 GLU A 97 -1.538 -7.389 15.797 1.00 31.31 H new ATOM 0 HG2 GLU A 97 -4.179 -6.803 17.202 1.00 3.14 H new ATOM 0 HG3 GLU A 97 -3.163 -8.184 17.567 1.00 3.14 H new ATOM 1621 N GLN A 98 -0.450 -4.954 14.834 1.00 14.14 N ATOM 1622 CA GLN A 98 0.715 -4.120 15.154 1.00 20.31 C ATOM 1623 C GLN A 98 0.639 -2.752 14.429 1.00 33.41 C ATOM 1624 O GLN A 98 0.880 -1.707 15.040 1.00 43.10 O ATOM 1625 CB GLN A 98 2.016 -4.910 14.813 1.00 13.54 C ATOM 1626 CG GLN A 98 3.351 -4.171 15.109 1.00 65.41 C ATOM 1627 CD GLN A 98 3.819 -3.239 13.986 1.00 55.14 C ATOM 1628 OE1 GLN A 98 3.612 -3.516 12.805 1.00 4.32 O ATOM 1629 NE2 GLN A 98 4.461 -2.139 14.341 1.00 15.32 N ATOM 0 H GLN A 98 -0.249 -5.692 14.160 1.00 14.14 H new ATOM 0 HA GLN A 98 0.725 -3.894 16.220 1.00 20.31 H new ATOM 0 HB2 GLN A 98 2.008 -5.845 15.373 1.00 13.54 H new ATOM 0 HB3 GLN A 98 1.994 -5.171 13.755 1.00 13.54 H new ATOM 0 HG2 GLN A 98 3.236 -3.589 16.023 1.00 65.41 H new ATOM 0 HG3 GLN A 98 4.128 -4.911 15.298 1.00 65.41 H new ATOM 0 HE21 GLN A 98 4.618 -1.936 15.328 1.00 15.32 H new ATOM 0 HE22 GLN A 98 4.800 -1.493 13.628 1.00 15.32 H new ATOM 1638 N LEU A 99 0.303 -2.782 13.128 1.00 55.34 N ATOM 1639 CA LEU A 99 0.208 -1.567 12.275 1.00 14.25 C ATOM 1640 C LEU A 99 -0.934 -0.628 12.725 1.00 52.41 C ATOM 1641 O LEU A 99 -0.850 0.597 12.565 1.00 55.23 O ATOM 1642 CB LEU A 99 -0.006 -1.983 10.797 1.00 10.13 C ATOM 1643 CG LEU A 99 1.148 -2.781 10.124 1.00 4.22 C ATOM 1644 CD1 LEU A 99 0.726 -3.303 8.740 1.00 33.15 C ATOM 1645 CD2 LEU A 99 2.419 -1.931 10.022 1.00 75.24 C ATOM 0 H LEU A 99 0.088 -3.646 12.630 1.00 55.34 H new ATOM 0 HA LEU A 99 1.144 -1.017 12.377 1.00 14.25 H new ATOM 0 HB2 LEU A 99 -0.914 -2.584 10.740 1.00 10.13 H new ATOM 0 HB3 LEU A 99 -0.183 -1.081 10.211 1.00 10.13 H new ATOM 0 HG LEU A 99 1.369 -3.642 10.755 1.00 4.22 H new ATOM 0 HD11 LEU A 99 1.552 -3.857 8.293 1.00 33.15 H new ATOM 0 HD12 LEU A 99 -0.137 -3.961 8.847 1.00 33.15 H new ATOM 0 HD13 LEU A 99 0.464 -2.462 8.098 1.00 33.15 H new ATOM 0 HD21 LEU A 99 3.209 -2.513 9.548 1.00 75.24 H new ATOM 0 HD22 LEU A 99 2.215 -1.042 9.425 1.00 75.24 H new ATOM 0 HD23 LEU A 99 2.738 -1.632 11.021 1.00 75.24 H new ATOM 1657 N LYS A 100 -1.997 -1.237 13.285 1.00 1.04 N ATOM 1658 CA LYS A 100 -3.210 -0.531 13.728 1.00 11.03 C ATOM 1659 C LYS A 100 -2.878 0.412 14.902 1.00 52.41 C ATOM 1660 O LYS A 100 -3.439 1.507 14.998 1.00 20.32 O ATOM 1661 CB LYS A 100 -4.308 -1.584 14.109 1.00 33.34 C ATOM 1662 CG LYS A 100 -5.767 -1.055 14.219 1.00 44.41 C ATOM 1663 CD LYS A 100 -6.076 -0.345 15.557 1.00 52.21 C ATOM 1664 CE LYS A 100 -7.508 0.194 15.636 1.00 62.43 C ATOM 1665 NZ LYS A 100 -7.768 0.860 16.943 1.00 74.33 N ATOM 0 H LYS A 100 -2.036 -2.244 13.443 1.00 1.04 H new ATOM 0 HA LYS A 100 -3.600 0.089 12.920 1.00 11.03 H new ATOM 0 HB2 LYS A 100 -4.289 -2.381 13.366 1.00 33.34 H new ATOM 0 HB3 LYS A 100 -4.034 -2.032 15.064 1.00 33.34 H new ATOM 0 HG2 LYS A 100 -5.955 -0.362 13.399 1.00 44.41 H new ATOM 0 HG3 LYS A 100 -6.456 -1.890 14.094 1.00 44.41 H new ATOM 0 HD2 LYS A 100 -5.911 -1.043 16.378 1.00 52.21 H new ATOM 0 HD3 LYS A 100 -5.376 0.479 15.694 1.00 52.21 H new ATOM 0 HE2 LYS A 100 -7.677 0.903 14.825 1.00 62.43 H new ATOM 0 HE3 LYS A 100 -8.214 -0.624 15.496 1.00 62.43 H new ATOM 0 HZ1 LYS A 100 -8.746 1.214 16.964 1.00 74.33 H new ATOM 0 HZ2 LYS A 100 -7.630 0.176 17.714 1.00 74.33 H new ATOM 0 HZ3 LYS A 100 -7.109 1.656 17.064 1.00 74.33 H new ATOM 1679 N LYS A 101 -1.930 -0.031 15.758 1.00 3.25 N ATOM 1680 CA LYS A 101 -1.478 0.708 16.965 1.00 31.53 C ATOM 1681 C LYS A 101 -1.056 2.160 16.654 1.00 33.11 C ATOM 1682 O LYS A 101 -1.273 3.066 17.468 1.00 62.33 O ATOM 1683 CB LYS A 101 -0.281 -0.028 17.627 1.00 11.10 C ATOM 1684 CG LYS A 101 -0.568 -1.483 18.032 1.00 41.45 C ATOM 1685 CD LYS A 101 0.642 -2.162 18.708 1.00 74.22 C ATOM 1686 CE LYS A 101 0.370 -3.637 19.034 1.00 13.34 C ATOM 1687 NZ LYS A 101 -0.842 -3.814 19.881 1.00 71.13 N ATOM 0 H LYS A 101 -1.450 -0.922 15.631 1.00 3.25 H new ATOM 0 HA LYS A 101 -2.331 0.743 17.643 1.00 31.53 H new ATOM 0 HB2 LYS A 101 0.562 -0.017 16.936 1.00 11.10 H new ATOM 0 HB3 LYS A 101 0.025 0.528 18.513 1.00 11.10 H new ATOM 0 HG2 LYS A 101 -1.419 -1.505 18.713 1.00 41.45 H new ATOM 0 HG3 LYS A 101 -0.852 -2.053 17.147 1.00 41.45 H new ATOM 0 HD2 LYS A 101 1.510 -2.090 18.053 1.00 74.22 H new ATOM 0 HD3 LYS A 101 0.890 -1.628 19.625 1.00 74.22 H new ATOM 0 HE2 LYS A 101 0.247 -4.195 18.106 1.00 13.34 H new ATOM 0 HE3 LYS A 101 1.234 -4.059 19.547 1.00 13.34 H new ATOM 0 HZ1 LYS A 101 -0.635 -4.487 20.646 1.00 71.13 H new ATOM 0 HZ2 LYS A 101 -1.116 -2.898 20.290 1.00 71.13 H new ATOM 0 HZ3 LYS A 101 -1.622 -4.180 19.299 1.00 71.13 H new ATOM 1701 N ASP A 102 -0.455 2.359 15.465 1.00 32.01 N ATOM 1702 CA ASP A 102 0.086 3.668 15.044 1.00 32.53 C ATOM 1703 C ASP A 102 -1.049 4.647 14.677 1.00 22.42 C ATOM 1704 O ASP A 102 -0.890 5.871 14.797 1.00 53.42 O ATOM 1705 CB ASP A 102 1.075 3.486 13.853 1.00 42.45 C ATOM 1706 CG ASP A 102 1.940 4.739 13.599 1.00 14.11 C ATOM 1707 OD1 ASP A 102 1.702 5.485 12.618 1.00 53.23 O ATOM 1708 OD2 ASP A 102 2.867 4.989 14.399 1.00 74.25 O ATOM 0 H ASP A 102 -0.331 1.621 14.772 1.00 32.01 H new ATOM 0 HA ASP A 102 0.633 4.099 15.883 1.00 32.53 H new ATOM 0 HB2 ASP A 102 1.726 2.635 14.054 1.00 42.45 H new ATOM 0 HB3 ASP A 102 0.511 3.250 12.951 1.00 42.45 H new ATOM 1713 N GLY A 103 -2.200 4.089 14.258 1.00 40.04 N ATOM 1714 CA GLY A 103 -3.366 4.881 13.840 1.00 44.21 C ATOM 1715 C GLY A 103 -3.512 4.968 12.325 1.00 42.24 C ATOM 1716 O GLY A 103 -4.371 5.701 11.829 1.00 2.31 O ATOM 0 H GLY A 103 -2.345 3.081 14.201 1.00 40.04 H new ATOM 0 HA2 GLY A 103 -4.269 4.440 14.262 1.00 44.21 H new ATOM 0 HA3 GLY A 103 -3.281 5.887 14.250 1.00 44.21 H new ATOM 1720 N VAL A 104 -2.654 4.227 11.600 1.00 22.44 N ATOM 1721 CA VAL A 104 -2.670 4.144 10.126 1.00 33.02 C ATOM 1722 C VAL A 104 -3.908 3.359 9.636 1.00 62.41 C ATOM 1723 O VAL A 104 -4.370 2.439 10.327 1.00 75.32 O ATOM 1724 CB VAL A 104 -1.336 3.471 9.613 1.00 32.10 C ATOM 1725 CG1 VAL A 104 -1.328 3.244 8.086 1.00 75.30 C ATOM 1726 CG2 VAL A 104 -0.115 4.318 10.040 1.00 33.50 C ATOM 0 H VAL A 104 -1.920 3.661 12.026 1.00 22.44 H new ATOM 0 HA VAL A 104 -2.732 5.152 9.716 1.00 33.02 H new ATOM 0 HB VAL A 104 -1.277 2.486 10.076 1.00 32.10 H new ATOM 0 HG11 VAL A 104 -0.387 2.779 7.792 1.00 75.30 H new ATOM 0 HG12 VAL A 104 -2.157 2.591 7.811 1.00 75.30 H new ATOM 0 HG13 VAL A 104 -1.435 4.201 7.575 1.00 75.30 H new ATOM 0 HG21 VAL A 104 0.799 3.845 9.681 1.00 33.50 H new ATOM 0 HG22 VAL A 104 -0.198 5.317 9.613 1.00 33.50 H new ATOM 0 HG23 VAL A 104 -0.084 4.389 11.127 1.00 33.50 H new ATOM 1736 N ASP A 105 -4.449 3.738 8.447 1.00 14.30 N ATOM 1737 CA ASP A 105 -5.601 3.043 7.849 1.00 53.42 C ATOM 1738 C ASP A 105 -5.140 1.649 7.419 1.00 15.54 C ATOM 1739 O ASP A 105 -4.388 1.510 6.457 1.00 13.11 O ATOM 1740 CB ASP A 105 -6.146 3.818 6.624 1.00 13.23 C ATOM 1741 CG ASP A 105 -7.408 3.172 5.987 1.00 35.44 C ATOM 1742 OD1 ASP A 105 -7.275 2.319 5.079 1.00 75.34 O ATOM 1743 OD2 ASP A 105 -8.543 3.526 6.389 1.00 62.22 O ATOM 0 H ASP A 105 -4.101 4.520 7.892 1.00 14.30 H new ATOM 0 HA ASP A 105 -6.406 2.976 8.581 1.00 53.42 H new ATOM 0 HB2 ASP A 105 -6.384 4.838 6.927 1.00 13.23 H new ATOM 0 HB3 ASP A 105 -5.362 3.884 5.869 1.00 13.23 H new ATOM 1748 N VAL A 106 -5.554 0.645 8.179 1.00 25.53 N ATOM 1749 CA VAL A 106 -5.195 -0.756 7.941 1.00 72.14 C ATOM 1750 C VAL A 106 -6.461 -1.558 7.626 1.00 10.35 C ATOM 1751 O VAL A 106 -7.480 -1.439 8.321 1.00 42.21 O ATOM 1752 CB VAL A 106 -4.413 -1.359 9.172 1.00 61.21 C ATOM 1753 CG1 VAL A 106 -3.005 -0.728 9.291 1.00 41.11 C ATOM 1754 CG2 VAL A 106 -5.192 -1.171 10.493 1.00 42.21 C ATOM 0 H VAL A 106 -6.157 0.777 8.991 1.00 25.53 H new ATOM 0 HA VAL A 106 -4.525 -0.814 7.084 1.00 72.14 H new ATOM 0 HB VAL A 106 -4.308 -2.429 8.994 1.00 61.21 H new ATOM 0 HG11 VAL A 106 -2.484 -1.159 10.146 1.00 41.11 H new ATOM 0 HG12 VAL A 106 -2.438 -0.929 8.382 1.00 41.11 H new ATOM 0 HG13 VAL A 106 -3.099 0.349 9.429 1.00 41.11 H new ATOM 0 HG21 VAL A 106 -4.621 -1.599 11.316 1.00 42.21 H new ATOM 0 HG22 VAL A 106 -5.349 -0.108 10.675 1.00 42.21 H new ATOM 0 HG23 VAL A 106 -6.157 -1.673 10.421 1.00 42.21 H new ATOM 1764 N ARG A 107 -6.387 -2.342 6.547 1.00 74.23 N ATOM 1765 CA ARG A 107 -7.504 -3.124 6.021 1.00 31.14 C ATOM 1766 C ARG A 107 -6.977 -4.472 5.512 1.00 64.35 C ATOM 1767 O ARG A 107 -5.988 -4.536 4.771 1.00 14.50 O ATOM 1768 CB ARG A 107 -8.218 -2.312 4.895 1.00 23.21 C ATOM 1769 CG ARG A 107 -7.302 -1.915 3.694 1.00 30.40 C ATOM 1770 CD ARG A 107 -7.580 -0.514 3.128 1.00 13.33 C ATOM 1771 NE ARG A 107 -8.870 -0.433 2.440 1.00 3.14 N ATOM 1772 CZ ARG A 107 -9.854 0.427 2.743 1.00 61.14 C ATOM 1773 NH1 ARG A 107 -9.710 1.305 3.733 1.00 13.12 N ATOM 1774 NH2 ARG A 107 -10.963 0.438 2.021 1.00 22.23 N ATOM 0 H ARG A 107 -5.530 -2.452 6.005 1.00 74.23 H new ATOM 0 HA ARG A 107 -8.237 -3.323 6.802 1.00 31.14 H new ATOM 0 HB2 ARG A 107 -9.055 -2.900 4.517 1.00 23.21 H new ATOM 0 HB3 ARG A 107 -8.637 -1.405 5.330 1.00 23.21 H new ATOM 0 HG2 ARG A 107 -6.261 -1.966 4.013 1.00 30.40 H new ATOM 0 HG3 ARG A 107 -7.428 -2.648 2.897 1.00 30.40 H new ATOM 0 HD2 ARG A 107 -7.559 0.213 3.940 1.00 13.33 H new ATOM 0 HD3 ARG A 107 -6.784 -0.241 2.435 1.00 13.33 H new ATOM 0 HE ARG A 107 -9.033 -1.081 1.670 1.00 3.14 H new ATOM 0 HH11 ARG A 107 -8.844 1.329 4.271 1.00 13.12 H new ATOM 0 HH12 ARG A 107 -10.466 1.954 3.953 1.00 13.12 H new ATOM 0 HH21 ARG A 107 -11.068 -0.206 1.237 1.00 22.23 H new ATOM 0 HH22 ARG A 107 -11.713 1.091 2.249 1.00 22.23 H new ATOM 1788 N VAL A 108 -7.629 -5.546 5.951 1.00 22.24 N ATOM 1789 CA VAL A 108 -7.257 -6.922 5.612 1.00 12.15 C ATOM 1790 C VAL A 108 -8.471 -7.655 5.043 1.00 32.34 C ATOM 1791 O VAL A 108 -9.610 -7.375 5.443 1.00 42.14 O ATOM 1792 CB VAL A 108 -6.689 -7.693 6.864 1.00 51.11 C ATOM 1793 CG1 VAL A 108 -5.280 -7.192 7.237 1.00 10.14 C ATOM 1794 CG2 VAL A 108 -7.653 -7.594 8.078 1.00 11.14 C ATOM 0 H VAL A 108 -8.444 -5.486 6.562 1.00 22.24 H new ATOM 0 HA VAL A 108 -6.467 -6.888 4.862 1.00 12.15 H new ATOM 0 HB VAL A 108 -6.609 -8.745 6.589 1.00 51.11 H new ATOM 0 HG11 VAL A 108 -4.916 -7.743 8.104 1.00 10.14 H new ATOM 0 HG12 VAL A 108 -4.604 -7.349 6.397 1.00 10.14 H new ATOM 0 HG13 VAL A 108 -5.323 -6.129 7.474 1.00 10.14 H new ATOM 0 HG21 VAL A 108 -7.230 -8.137 8.924 1.00 11.14 H new ATOM 0 HG22 VAL A 108 -7.789 -6.547 8.350 1.00 11.14 H new ATOM 0 HG23 VAL A 108 -8.617 -8.029 7.813 1.00 11.14 H new ATOM 1804 N THR A 109 -8.221 -8.551 4.081 1.00 33.11 N ATOM 1805 CA THR A 109 -9.255 -9.413 3.499 1.00 52.04 C ATOM 1806 C THR A 109 -8.593 -10.562 2.726 1.00 1.00 C ATOM 1807 O THR A 109 -7.584 -10.358 2.042 1.00 13.10 O ATOM 1808 CB THR A 109 -10.233 -8.611 2.555 1.00 11.44 C ATOM 1809 OG1 THR A 109 -11.251 -9.477 2.029 1.00 55.15 O ATOM 1810 CG2 THR A 109 -9.508 -7.899 1.390 1.00 53.42 C ATOM 0 H THR A 109 -7.293 -8.699 3.684 1.00 33.11 H new ATOM 0 HA THR A 109 -9.854 -9.816 4.316 1.00 52.04 H new ATOM 0 HB THR A 109 -10.685 -7.837 3.176 1.00 11.44 H new ATOM 0 HG1 THR A 109 -11.531 -9.155 1.147 1.00 55.15 H new ATOM 0 HG21 THR A 109 -10.237 -7.366 0.779 1.00 53.42 H new ATOM 0 HG22 THR A 109 -8.784 -7.190 1.791 1.00 53.42 H new ATOM 0 HG23 THR A 109 -8.992 -8.638 0.777 1.00 53.42 H new ATOM 1818 N ASP A 110 -9.124 -11.784 2.886 1.00 61.33 N ATOM 1819 CA ASP A 110 -8.768 -12.916 2.019 1.00 52.33 C ATOM 1820 C ASP A 110 -9.865 -13.040 0.949 1.00 23.33 C ATOM 1821 O ASP A 110 -10.792 -13.842 1.052 1.00 3.23 O ATOM 1822 CB ASP A 110 -8.594 -14.228 2.849 1.00 64.12 C ATOM 1823 CG ASP A 110 -9.781 -14.567 3.764 1.00 73.23 C ATOM 1824 OD1 ASP A 110 -9.942 -13.908 4.805 1.00 25.43 O ATOM 1825 OD2 ASP A 110 -10.562 -15.486 3.450 1.00 5.33 O ATOM 0 H ASP A 110 -9.804 -12.013 3.611 1.00 61.33 H new ATOM 0 HA ASP A 110 -7.807 -12.745 1.535 1.00 52.33 H new ATOM 0 HB2 ASP A 110 -8.433 -15.059 2.162 1.00 64.12 H new ATOM 0 HB3 ASP A 110 -7.695 -14.140 3.459 1.00 64.12 H new ATOM 1830 N ASN A 111 -9.708 -12.218 -0.096 1.00 73.03 N ATOM 1831 CA ASN A 111 -10.652 -12.100 -1.221 1.00 4.45 C ATOM 1832 C ASN A 111 -10.030 -11.138 -2.249 1.00 10.53 C ATOM 1833 O ASN A 111 -9.686 -10.000 -1.917 1.00 55.31 O ATOM 1834 CB ASN A 111 -12.083 -11.598 -0.780 1.00 63.23 C ATOM 1835 CG ASN A 111 -13.157 -12.703 -0.754 1.00 21.32 C ATOM 1836 OD1 ASN A 111 -13.787 -12.994 -1.768 1.00 13.14 O ATOM 1837 ND2 ASN A 111 -13.392 -13.310 0.393 1.00 64.44 N ATOM 0 H ASN A 111 -8.902 -11.600 -0.188 1.00 73.03 H new ATOM 0 HA ASN A 111 -10.811 -13.089 -1.651 1.00 4.45 H new ATOM 0 HB2 ASN A 111 -12.010 -11.153 0.213 1.00 63.23 H new ATOM 0 HB3 ASN A 111 -12.405 -10.809 -1.460 1.00 63.23 H new ATOM 0 HD21 ASN A 111 -14.107 -14.035 0.449 1.00 64.44 H new ATOM 0 HD22 ASN A 111 -12.858 -13.054 1.224 1.00 64.44 H new ATOM 1844 N GLU A 112 -9.916 -11.614 -3.492 1.00 52.34 N ATOM 1845 CA GLU A 112 -9.123 -10.966 -4.554 1.00 33.21 C ATOM 1846 C GLU A 112 -9.837 -9.736 -5.151 1.00 30.50 C ATOM 1847 O GLU A 112 -9.231 -8.669 -5.306 1.00 2.51 O ATOM 1848 CB GLU A 112 -8.828 -12.015 -5.649 1.00 53.23 C ATOM 1849 CG GLU A 112 -7.951 -11.545 -6.819 1.00 41.40 C ATOM 1850 CD GLU A 112 -7.627 -12.696 -7.778 1.00 43.13 C ATOM 1851 OE1 GLU A 112 -8.487 -13.047 -8.614 1.00 72.05 O ATOM 1852 OE2 GLU A 112 -6.524 -13.281 -7.682 1.00 1.41 O ATOM 0 H GLU A 112 -10.376 -12.471 -3.798 1.00 52.34 H new ATOM 0 HA GLU A 112 -8.193 -10.597 -4.122 1.00 33.21 H new ATOM 0 HB2 GLU A 112 -8.344 -12.872 -5.181 1.00 53.23 H new ATOM 0 HB3 GLU A 112 -9.778 -12.366 -6.052 1.00 53.23 H new ATOM 0 HG2 GLU A 112 -8.463 -10.751 -7.362 1.00 41.40 H new ATOM 0 HG3 GLU A 112 -7.024 -11.121 -6.433 1.00 41.40 H new ATOM 1859 N ASP A 113 -11.133 -9.894 -5.478 1.00 12.34 N ATOM 1860 CA ASP A 113 -11.937 -8.815 -6.093 1.00 30.33 C ATOM 1861 C ASP A 113 -12.382 -7.784 -5.035 1.00 23.41 C ATOM 1862 O ASP A 113 -12.555 -6.597 -5.338 1.00 20.55 O ATOM 1863 CB ASP A 113 -13.152 -9.388 -6.872 1.00 22.31 C ATOM 1864 CG ASP A 113 -13.805 -8.335 -7.795 1.00 2.15 C ATOM 1865 OD1 ASP A 113 -13.315 -8.141 -8.928 1.00 0.24 O ATOM 1866 OD2 ASP A 113 -14.805 -7.712 -7.404 1.00 61.41 O ATOM 0 H ASP A 113 -11.649 -10.761 -5.327 1.00 12.34 H new ATOM 0 HA ASP A 113 -11.303 -8.298 -6.814 1.00 30.33 H new ATOM 0 HB2 ASP A 113 -12.829 -10.241 -7.469 1.00 22.31 H new ATOM 0 HB3 ASP A 113 -13.894 -9.757 -6.164 1.00 22.31 H new ATOM 1871 N GLU A 114 -12.532 -8.253 -3.786 1.00 52.31 N ATOM 1872 CA GLU A 114 -12.809 -7.392 -2.623 1.00 12.32 C ATOM 1873 C GLU A 114 -11.609 -6.468 -2.340 1.00 22.04 C ATOM 1874 O GLU A 114 -11.786 -5.315 -1.937 1.00 33.54 O ATOM 1875 CB GLU A 114 -13.124 -8.267 -1.390 1.00 34.43 C ATOM 1876 CG GLU A 114 -13.357 -7.501 -0.068 1.00 51.23 C ATOM 1877 CD GLU A 114 -14.561 -6.540 -0.105 1.00 41.20 C ATOM 1878 OE1 GLU A 114 -15.703 -7.023 -0.261 1.00 20.42 O ATOM 1879 OE2 GLU A 114 -14.380 -5.307 0.040 1.00 21.14 O ATOM 0 H GLU A 114 -12.464 -9.244 -3.553 1.00 52.31 H new ATOM 0 HA GLU A 114 -13.675 -6.767 -2.842 1.00 12.32 H new ATOM 0 HB2 GLU A 114 -14.012 -8.861 -1.606 1.00 34.43 H new ATOM 0 HB3 GLU A 114 -12.301 -8.966 -1.243 1.00 34.43 H new ATOM 0 HG2 GLU A 114 -13.505 -8.222 0.736 1.00 51.23 H new ATOM 0 HG3 GLU A 114 -12.459 -6.933 0.174 1.00 51.23 H new ATOM 1886 N ALA A 115 -10.394 -6.992 -2.568 1.00 45.11 N ATOM 1887 CA ALA A 115 -9.151 -6.217 -2.468 1.00 65.33 C ATOM 1888 C ALA A 115 -9.178 -5.006 -3.416 1.00 21.05 C ATOM 1889 O ALA A 115 -8.739 -3.914 -3.059 1.00 51.11 O ATOM 1890 CB ALA A 115 -7.965 -7.116 -2.801 1.00 32.10 C ATOM 0 H ALA A 115 -10.248 -7.968 -2.827 1.00 45.11 H new ATOM 0 HA ALA A 115 -9.053 -5.844 -1.448 1.00 65.33 H new ATOM 0 HB1 ALA A 115 -7.041 -6.542 -2.727 1.00 32.10 H new ATOM 0 HB2 ALA A 115 -7.932 -7.949 -2.099 1.00 32.10 H new ATOM 0 HB3 ALA A 115 -8.073 -7.500 -3.815 1.00 32.10 H new ATOM 1896 N LYS A 116 -9.712 -5.247 -4.628 1.00 14.33 N ATOM 1897 CA LYS A 116 -9.860 -4.235 -5.689 1.00 51.22 C ATOM 1898 C LYS A 116 -10.877 -3.145 -5.293 1.00 53.32 C ATOM 1899 O LYS A 116 -10.721 -1.981 -5.676 1.00 44.43 O ATOM 1900 CB LYS A 116 -10.267 -4.950 -7.003 1.00 31.13 C ATOM 1901 CG LYS A 116 -9.158 -5.875 -7.579 1.00 42.04 C ATOM 1902 CD LYS A 116 -9.691 -6.950 -8.550 1.00 24.34 C ATOM 1903 CE LYS A 116 -10.496 -6.389 -9.729 1.00 53.34 C ATOM 1904 NZ LYS A 116 -10.993 -7.488 -10.606 1.00 30.33 N ATOM 0 H LYS A 116 -10.058 -6.167 -4.901 1.00 14.33 H new ATOM 0 HA LYS A 116 -8.909 -3.724 -5.839 1.00 51.22 H new ATOM 0 HB2 LYS A 116 -11.164 -5.542 -6.822 1.00 31.13 H new ATOM 0 HB3 LYS A 116 -10.526 -4.199 -7.750 1.00 31.13 H new ATOM 0 HG2 LYS A 116 -8.420 -5.263 -8.098 1.00 42.04 H new ATOM 0 HG3 LYS A 116 -8.642 -6.366 -6.754 1.00 42.04 H new ATOM 0 HD2 LYS A 116 -8.849 -7.522 -8.939 1.00 24.34 H new ATOM 0 HD3 LYS A 116 -10.319 -7.646 -7.994 1.00 24.34 H new ATOM 0 HE2 LYS A 116 -11.339 -5.808 -9.355 1.00 53.34 H new ATOM 0 HE3 LYS A 116 -9.872 -5.709 -10.309 1.00 53.34 H new ATOM 0 HZ1 LYS A 116 -11.401 -7.083 -11.473 1.00 30.33 H new ATOM 0 HZ2 LYS A 116 -10.203 -8.117 -10.856 1.00 30.33 H new ATOM 0 HZ3 LYS A 116 -11.722 -8.032 -10.102 1.00 30.33 H new ATOM 1918 N LYS A 117 -11.906 -3.536 -4.519 1.00 71.22 N ATOM 1919 CA LYS A 117 -12.913 -2.599 -3.969 1.00 12.32 C ATOM 1920 C LYS A 117 -12.246 -1.670 -2.933 1.00 61.13 C ATOM 1921 O LYS A 117 -12.360 -0.439 -3.007 1.00 14.35 O ATOM 1922 CB LYS A 117 -14.072 -3.398 -3.305 1.00 70.34 C ATOM 1923 CG LYS A 117 -14.794 -4.394 -4.240 1.00 72.22 C ATOM 1924 CD LYS A 117 -15.589 -3.743 -5.399 1.00 11.50 C ATOM 1925 CE LYS A 117 -16.911 -3.075 -4.955 1.00 52.01 C ATOM 1926 NZ LYS A 117 -16.710 -1.854 -4.117 1.00 54.33 N ATOM 0 H LYS A 117 -12.066 -4.508 -4.255 1.00 71.22 H new ATOM 0 HA LYS A 117 -13.322 -1.994 -4.778 1.00 12.32 H new ATOM 0 HB2 LYS A 117 -13.673 -3.947 -2.452 1.00 70.34 H new ATOM 0 HB3 LYS A 117 -14.805 -2.691 -2.915 1.00 70.34 H new ATOM 0 HG2 LYS A 117 -14.054 -5.074 -4.663 1.00 72.22 H new ATOM 0 HG3 LYS A 117 -15.478 -4.998 -3.644 1.00 72.22 H new ATOM 0 HD2 LYS A 117 -14.960 -2.995 -5.883 1.00 11.50 H new ATOM 0 HD3 LYS A 117 -15.811 -4.504 -6.147 1.00 11.50 H new ATOM 0 HE2 LYS A 117 -17.489 -2.808 -5.840 1.00 52.01 H new ATOM 0 HE3 LYS A 117 -17.503 -3.798 -4.394 1.00 52.01 H new ATOM 0 HZ1 LYS A 117 -17.413 -1.134 -4.379 1.00 54.33 H new ATOM 0 HZ2 LYS A 117 -16.823 -2.100 -3.113 1.00 54.33 H new ATOM 0 HZ3 LYS A 117 -15.754 -1.478 -4.276 1.00 54.33 H new ATOM 1940 N ARG A 118 -11.507 -2.299 -2.001 1.00 15.33 N ATOM 1941 CA ARG A 118 -10.765 -1.603 -0.936 1.00 71.33 C ATOM 1942 C ARG A 118 -9.623 -0.738 -1.518 1.00 35.15 C ATOM 1943 O ARG A 118 -9.200 0.237 -0.891 1.00 40.13 O ATOM 1944 CB ARG A 118 -10.193 -2.642 0.069 1.00 63.21 C ATOM 1945 CG ARG A 118 -11.247 -3.541 0.762 1.00 12.13 C ATOM 1946 CD ARG A 118 -12.247 -2.761 1.640 1.00 0.45 C ATOM 1947 NE ARG A 118 -13.212 -3.661 2.290 1.00 55.11 N ATOM 1948 CZ ARG A 118 -13.984 -3.354 3.347 1.00 31.34 C ATOM 1949 NH1 ARG A 118 -13.941 -2.147 3.917 1.00 21.42 N ATOM 1950 NH2 ARG A 118 -14.807 -4.273 3.826 1.00 52.25 N ATOM 0 H ARG A 118 -11.408 -3.314 -1.966 1.00 15.33 H new ATOM 0 HA ARG A 118 -11.455 -0.937 -0.417 1.00 71.33 H new ATOM 0 HB2 ARG A 118 -9.484 -3.281 -0.458 1.00 63.21 H new ATOM 0 HB3 ARG A 118 -9.632 -2.110 0.837 1.00 63.21 H new ATOM 0 HG2 ARG A 118 -11.799 -4.092 0.000 1.00 12.13 H new ATOM 0 HG3 ARG A 118 -10.733 -4.278 1.379 1.00 12.13 H new ATOM 0 HD2 ARG A 118 -11.704 -2.199 2.400 1.00 0.45 H new ATOM 0 HD3 ARG A 118 -12.781 -2.035 1.027 1.00 0.45 H new ATOM 0 HE ARG A 118 -13.304 -4.601 1.905 1.00 55.11 H new ATOM 0 HH11 ARG A 118 -13.312 -1.432 3.551 1.00 21.42 H new ATOM 0 HH12 ARG A 118 -14.537 -1.940 4.718 1.00 21.42 H new ATOM 0 HH21 ARG A 118 -14.848 -5.196 3.394 1.00 52.25 H new ATOM 0 HH22 ARG A 118 -15.400 -4.058 4.627 1.00 52.25 H new ATOM 1964 N LEU A 119 -9.147 -1.127 -2.717 1.00 31.52 N ATOM 1965 CA LEU A 119 -8.104 -0.407 -3.463 1.00 20.13 C ATOM 1966 C LEU A 119 -8.666 0.956 -3.925 1.00 32.14 C ATOM 1967 O LEU A 119 -8.102 2.006 -3.594 1.00 21.00 O ATOM 1968 CB LEU A 119 -7.628 -1.274 -4.679 1.00 5.13 C ATOM 1969 CG LEU A 119 -6.211 -0.993 -5.295 1.00 45.44 C ATOM 1970 CD1 LEU A 119 -6.086 0.417 -5.882 1.00 1.13 C ATOM 1971 CD2 LEU A 119 -5.086 -1.269 -4.280 1.00 61.21 C ATOM 0 H LEU A 119 -9.483 -1.961 -3.198 1.00 31.52 H new ATOM 0 HA LEU A 119 -7.239 -0.227 -2.825 1.00 20.13 H new ATOM 0 HB2 LEU A 119 -7.653 -2.319 -4.370 1.00 5.13 H new ATOM 0 HB3 LEU A 119 -8.364 -1.159 -5.475 1.00 5.13 H new ATOM 0 HG LEU A 119 -6.099 -1.691 -6.125 1.00 45.44 H new ATOM 0 HD11 LEU A 119 -5.086 0.553 -6.293 1.00 1.13 H new ATOM 0 HD12 LEU A 119 -6.824 0.548 -6.673 1.00 1.13 H new ATOM 0 HD13 LEU A 119 -6.259 1.154 -5.098 1.00 1.13 H new ATOM 0 HD21 LEU A 119 -4.120 -1.063 -4.742 1.00 61.21 H new ATOM 0 HD22 LEU A 119 -5.216 -0.626 -3.409 1.00 61.21 H new ATOM 0 HD23 LEU A 119 -5.125 -2.313 -3.969 1.00 61.21 H new ATOM 1983 N LYS A 120 -9.803 0.918 -4.672 1.00 62.34 N ATOM 1984 CA LYS A 120 -10.422 2.137 -5.241 1.00 23.03 C ATOM 1985 C LYS A 120 -10.887 3.084 -4.127 1.00 74.53 C ATOM 1986 O LYS A 120 -10.874 4.296 -4.301 1.00 24.02 O ATOM 1987 CB LYS A 120 -11.624 1.816 -6.175 1.00 43.11 C ATOM 1988 CG LYS A 120 -12.051 3.021 -7.063 1.00 54.24 C ATOM 1989 CD LYS A 120 -13.418 2.851 -7.761 1.00 70.10 C ATOM 1990 CE LYS A 120 -14.592 2.806 -6.767 1.00 70.02 C ATOM 1991 NZ LYS A 120 -14.622 3.995 -5.874 1.00 60.04 N ATOM 0 H LYS A 120 -10.304 0.057 -4.891 1.00 62.34 H new ATOM 0 HA LYS A 120 -9.650 2.621 -5.839 1.00 23.03 H new ATOM 0 HB2 LYS A 120 -11.362 0.975 -6.817 1.00 43.11 H new ATOM 0 HB3 LYS A 120 -12.473 1.502 -5.568 1.00 43.11 H new ATOM 0 HG2 LYS A 120 -12.082 3.918 -6.445 1.00 54.24 H new ATOM 0 HG3 LYS A 120 -11.287 3.184 -7.823 1.00 54.24 H new ATOM 0 HD2 LYS A 120 -13.570 3.675 -8.459 1.00 70.10 H new ATOM 0 HD3 LYS A 120 -13.410 1.933 -8.348 1.00 70.10 H new ATOM 0 HE2 LYS A 120 -15.530 2.745 -7.319 1.00 70.02 H new ATOM 0 HE3 LYS A 120 -14.519 1.902 -6.162 1.00 70.02 H new ATOM 0 HZ1 LYS A 120 -15.598 4.346 -5.796 1.00 60.04 H new ATOM 0 HZ2 LYS A 120 -14.274 3.730 -4.931 1.00 60.04 H new ATOM 0 HZ3 LYS A 120 -14.016 4.742 -6.270 1.00 60.04 H new ATOM 2005 N GLU A 121 -11.292 2.498 -2.986 1.00 14.14 N ATOM 2006 CA GLU A 121 -11.750 3.253 -1.811 1.00 30.33 C ATOM 2007 C GLU A 121 -10.647 4.213 -1.285 1.00 14.21 C ATOM 2008 O GLU A 121 -10.938 5.330 -0.839 1.00 3.14 O ATOM 2009 CB GLU A 121 -12.180 2.275 -0.690 1.00 30.23 C ATOM 2010 CG GLU A 121 -12.969 2.940 0.457 1.00 1.24 C ATOM 2011 CD GLU A 121 -14.343 3.476 0.003 1.00 4.44 C ATOM 2012 OE1 GLU A 121 -15.315 2.691 -0.036 1.00 43.52 O ATOM 2013 OE2 GLU A 121 -14.458 4.677 -0.330 1.00 54.32 O ATOM 0 H GLU A 121 -11.310 1.487 -2.855 1.00 14.14 H new ATOM 0 HA GLU A 121 -12.604 3.859 -2.113 1.00 30.33 H new ATOM 0 HB2 GLU A 121 -12.791 1.485 -1.126 1.00 30.23 H new ATOM 0 HB3 GLU A 121 -11.291 1.799 -0.277 1.00 30.23 H new ATOM 0 HG2 GLU A 121 -13.113 2.217 1.260 1.00 1.24 H new ATOM 0 HG3 GLU A 121 -12.381 3.761 0.868 1.00 1.24 H new ATOM 2020 N LEU A 122 -9.384 3.750 -1.344 1.00 50.43 N ATOM 2021 CA LEU A 122 -8.208 4.551 -0.943 1.00 32.32 C ATOM 2022 C LEU A 122 -7.844 5.561 -2.033 1.00 71.43 C ATOM 2023 O LEU A 122 -7.318 6.640 -1.752 1.00 41.42 O ATOM 2024 CB LEU A 122 -6.999 3.637 -0.644 1.00 15.05 C ATOM 2025 CG LEU A 122 -7.216 2.593 0.483 1.00 52.25 C ATOM 2026 CD1 LEU A 122 -5.931 1.812 0.742 1.00 71.25 C ATOM 2027 CD2 LEU A 122 -7.753 3.245 1.771 1.00 5.20 C ATOM 0 H LEU A 122 -9.149 2.813 -1.670 1.00 50.43 H new ATOM 0 HA LEU A 122 -8.467 5.095 -0.035 1.00 32.32 H new ATOM 0 HB2 LEU A 122 -6.730 3.109 -1.559 1.00 15.05 H new ATOM 0 HB3 LEU A 122 -6.149 4.264 -0.376 1.00 15.05 H new ATOM 0 HG LEU A 122 -7.978 1.890 0.147 1.00 52.25 H new ATOM 0 HD11 LEU A 122 -6.101 1.084 1.535 1.00 71.25 H new ATOM 0 HD12 LEU A 122 -5.631 1.293 -0.168 1.00 71.25 H new ATOM 0 HD13 LEU A 122 -5.142 2.500 1.044 1.00 71.25 H new ATOM 0 HD21 LEU A 122 -7.891 2.480 2.535 1.00 5.20 H new ATOM 0 HD22 LEU A 122 -7.040 3.989 2.127 1.00 5.20 H new ATOM 0 HD23 LEU A 122 -8.708 3.728 1.564 1.00 5.20 H new ATOM 2039 N LEU A 123 -8.122 5.183 -3.284 1.00 54.32 N ATOM 2040 CA LEU A 123 -7.930 6.060 -4.445 1.00 61.33 C ATOM 2041 C LEU A 123 -8.977 7.189 -4.467 1.00 11.23 C ATOM 2042 O LEU A 123 -8.749 8.204 -5.108 1.00 62.22 O ATOM 2043 CB LEU A 123 -7.907 5.234 -5.767 1.00 4.42 C ATOM 2044 CG LEU A 123 -6.491 4.747 -6.251 1.00 15.50 C ATOM 2045 CD1 LEU A 123 -5.621 5.941 -6.723 1.00 4.34 C ATOM 2046 CD2 LEU A 123 -5.764 3.921 -5.161 1.00 11.13 C ATOM 0 H LEU A 123 -8.487 4.260 -3.522 1.00 54.32 H new ATOM 0 HA LEU A 123 -6.956 6.542 -4.358 1.00 61.33 H new ATOM 0 HB2 LEU A 123 -8.545 4.360 -5.637 1.00 4.42 H new ATOM 0 HB3 LEU A 123 -8.351 5.839 -6.558 1.00 4.42 H new ATOM 0 HG LEU A 123 -6.649 4.088 -7.105 1.00 15.50 H new ATOM 0 HD11 LEU A 123 -4.648 5.575 -7.052 1.00 4.34 H new ATOM 0 HD12 LEU A 123 -6.117 6.448 -7.551 1.00 4.34 H new ATOM 0 HD13 LEU A 123 -5.485 6.641 -5.898 1.00 4.34 H new ATOM 0 HD21 LEU A 123 -4.790 3.603 -5.534 1.00 11.13 H new ATOM 0 HD22 LEU A 123 -5.629 4.534 -4.270 1.00 11.13 H new ATOM 0 HD23 LEU A 123 -6.361 3.044 -4.911 1.00 11.13 H new ATOM 2058 N GLU A 124 -10.111 7.016 -3.741 1.00 55.15 N ATOM 2059 CA GLU A 124 -11.065 8.119 -3.492 1.00 3.43 C ATOM 2060 C GLU A 124 -10.399 9.167 -2.583 1.00 34.20 C ATOM 2061 O GLU A 124 -10.529 10.369 -2.804 1.00 4.15 O ATOM 2062 CB GLU A 124 -12.376 7.621 -2.821 1.00 12.52 C ATOM 2063 CG GLU A 124 -13.132 6.524 -3.591 1.00 25.15 C ATOM 2064 CD GLU A 124 -13.439 6.889 -5.055 1.00 31.52 C ATOM 2065 OE1 GLU A 124 -14.285 7.781 -5.294 1.00 31.20 O ATOM 2066 OE2 GLU A 124 -12.852 6.273 -5.970 1.00 45.51 O ATOM 0 H GLU A 124 -10.383 6.127 -3.321 1.00 55.15 H new ATOM 0 HA GLU A 124 -11.330 8.553 -4.456 1.00 3.43 H new ATOM 0 HB2 GLU A 124 -12.136 7.244 -1.827 1.00 12.52 H new ATOM 0 HB3 GLU A 124 -13.043 8.473 -2.687 1.00 12.52 H new ATOM 0 HG2 GLU A 124 -12.542 5.608 -3.571 1.00 25.15 H new ATOM 0 HG3 GLU A 124 -14.069 6.312 -3.076 1.00 25.15 H new ATOM 2073 N LYS A 125 -9.666 8.661 -1.561 1.00 31.13 N ATOM 2074 CA LYS A 125 -8.913 9.500 -0.601 1.00 51.43 C ATOM 2075 C LYS A 125 -7.801 10.286 -1.309 1.00 40.14 C ATOM 2076 O LYS A 125 -7.475 11.411 -0.922 1.00 43.54 O ATOM 2077 CB LYS A 125 -8.309 8.632 0.533 1.00 74.11 C ATOM 2078 CG LYS A 125 -9.337 7.742 1.257 1.00 3.02 C ATOM 2079 CD LYS A 125 -8.733 6.961 2.445 1.00 53.25 C ATOM 2080 CE LYS A 125 -9.771 6.061 3.140 1.00 22.31 C ATOM 2081 NZ LYS A 125 -10.910 6.835 3.707 1.00 61.01 N ATOM 0 H LYS A 125 -9.581 7.661 -1.381 1.00 31.13 H new ATOM 0 HA LYS A 125 -9.614 10.211 -0.163 1.00 51.43 H new ATOM 0 HB2 LYS A 125 -7.527 7.999 0.114 1.00 74.11 H new ATOM 0 HB3 LYS A 125 -7.833 9.287 1.263 1.00 74.11 H new ATOM 0 HG2 LYS A 125 -10.156 8.364 1.618 1.00 3.02 H new ATOM 0 HG3 LYS A 125 -9.763 7.036 0.544 1.00 3.02 H new ATOM 0 HD2 LYS A 125 -7.904 6.349 2.091 1.00 53.25 H new ATOM 0 HD3 LYS A 125 -8.323 7.665 3.169 1.00 53.25 H new ATOM 0 HE2 LYS A 125 -10.152 5.332 2.425 1.00 22.31 H new ATOM 0 HE3 LYS A 125 -9.284 5.500 3.938 1.00 22.31 H new ATOM 0 HZ1 LYS A 125 -11.517 6.201 4.264 1.00 61.01 H new ATOM 0 HZ2 LYS A 125 -10.545 7.591 4.320 1.00 61.01 H new ATOM 0 HZ3 LYS A 125 -11.464 7.254 2.933 1.00 61.01 H new ATOM 2095 N VAL A 126 -7.212 9.660 -2.344 1.00 2.33 N ATOM 2096 CA VAL A 126 -6.252 10.327 -3.231 1.00 63.05 C ATOM 2097 C VAL A 126 -6.979 11.401 -4.063 1.00 20.21 C ATOM 2098 O VAL A 126 -6.536 12.546 -4.110 1.00 40.03 O ATOM 2099 CB VAL A 126 -5.525 9.300 -4.176 1.00 63.43 C ATOM 2100 CG1 VAL A 126 -4.565 10.017 -5.151 1.00 32.41 C ATOM 2101 CG2 VAL A 126 -4.778 8.219 -3.352 1.00 34.14 C ATOM 0 H VAL A 126 -7.389 8.685 -2.585 1.00 2.33 H new ATOM 0 HA VAL A 126 -5.488 10.799 -2.614 1.00 63.05 H new ATOM 0 HB VAL A 126 -6.288 8.800 -4.772 1.00 63.43 H new ATOM 0 HG11 VAL A 126 -4.078 9.280 -5.790 1.00 32.41 H new ATOM 0 HG12 VAL A 126 -5.129 10.717 -5.768 1.00 32.41 H new ATOM 0 HG13 VAL A 126 -3.810 10.561 -4.584 1.00 32.41 H new ATOM 0 HG21 VAL A 126 -4.284 7.522 -4.029 1.00 34.14 H new ATOM 0 HG22 VAL A 126 -4.033 8.697 -2.716 1.00 34.14 H new ATOM 0 HG23 VAL A 126 -5.491 7.677 -2.731 1.00 34.14 H new ATOM 2111 N LEU A 127 -8.141 11.024 -4.642 1.00 52.33 N ATOM 2112 CA LEU A 127 -8.975 11.920 -5.488 1.00 54.32 C ATOM 2113 C LEU A 127 -9.589 13.082 -4.688 1.00 44.23 C ATOM 2114 O LEU A 127 -10.130 14.025 -5.274 1.00 11.24 O ATOM 2115 CB LEU A 127 -10.086 11.112 -6.216 1.00 34.24 C ATOM 2116 CG LEU A 127 -9.597 10.160 -7.348 1.00 33.41 C ATOM 2117 CD1 LEU A 127 -10.752 9.286 -7.872 1.00 34.15 C ATOM 2118 CD2 LEU A 127 -8.922 10.950 -8.487 1.00 12.35 C ATOM 0 H LEU A 127 -8.532 10.088 -4.538 1.00 52.33 H new ATOM 0 HA LEU A 127 -8.311 12.360 -6.232 1.00 54.32 H new ATOM 0 HB2 LEU A 127 -10.623 10.520 -5.475 1.00 34.24 H new ATOM 0 HB3 LEU A 127 -10.801 11.815 -6.642 1.00 34.24 H new ATOM 0 HG LEU A 127 -8.846 9.493 -6.925 1.00 33.41 H new ATOM 0 HD11 LEU A 127 -10.383 8.631 -8.661 1.00 34.15 H new ATOM 0 HD12 LEU A 127 -11.151 8.683 -7.056 1.00 34.15 H new ATOM 0 HD13 LEU A 127 -11.540 9.925 -8.270 1.00 34.15 H new ATOM 0 HD21 LEU A 127 -8.591 10.259 -9.262 1.00 12.35 H new ATOM 0 HD22 LEU A 127 -9.635 11.657 -8.911 1.00 12.35 H new ATOM 0 HD23 LEU A 127 -8.062 11.493 -8.094 1.00 12.35 H new ATOM 2130 N GLU A 128 -9.476 13.020 -3.349 1.00 24.31 N ATOM 2131 CA GLU A 128 -9.742 14.168 -2.459 1.00 71.35 C ATOM 2132 C GLU A 128 -8.534 15.149 -2.431 1.00 12.12 C ATOM 2133 O GLU A 128 -8.369 15.902 -1.462 1.00 72.24 O ATOM 2134 CB GLU A 128 -10.049 13.673 -1.018 1.00 31.32 C ATOM 2135 CG GLU A 128 -11.319 12.824 -0.868 1.00 64.51 C ATOM 2136 CD GLU A 128 -11.568 12.344 0.577 1.00 12.41 C ATOM 2137 OE1 GLU A 128 -12.657 12.600 1.134 1.00 14.15 O ATOM 2138 OE2 GLU A 128 -10.672 11.710 1.163 1.00 1.33 O ATOM 0 H GLU A 128 -9.198 12.174 -2.852 1.00 24.31 H new ATOM 0 HA GLU A 128 -10.609 14.700 -2.850 1.00 71.35 H new ATOM 0 HB2 GLU A 128 -9.199 13.090 -0.664 1.00 31.32 H new ATOM 0 HB3 GLU A 128 -10.134 14.541 -0.365 1.00 31.32 H new ATOM 0 HG2 GLU A 128 -12.178 13.406 -1.203 1.00 64.51 H new ATOM 0 HG3 GLU A 128 -11.247 11.956 -1.524 1.00 64.51 H new ATOM 2145 N HIS A 129 -7.677 15.119 -3.488 1.00 31.23 N ATOM 2146 CA HIS A 129 -6.588 16.104 -3.696 1.00 1.12 C ATOM 2147 C HIS A 129 -7.164 17.484 -4.085 1.00 33.13 C ATOM 2148 O HIS A 129 -7.065 17.933 -5.232 1.00 4.32 O ATOM 2149 CB HIS A 129 -5.527 15.593 -4.744 1.00 65.00 C ATOM 2150 CG HIS A 129 -6.072 15.031 -6.054 1.00 24.22 C ATOM 2151 ND1 HIS A 129 -6.967 15.693 -6.869 1.00 61.43 N ATOM 2152 CD2 HIS A 129 -5.827 13.850 -6.683 1.00 34.43 C ATOM 2153 CE1 HIS A 129 -7.239 14.950 -7.926 1.00 63.24 C ATOM 2154 NE2 HIS A 129 -6.571 13.827 -7.826 1.00 2.23 N ATOM 0 H HIS A 129 -7.725 14.409 -4.219 1.00 31.23 H new ATOM 0 HA HIS A 129 -6.059 16.220 -2.750 1.00 1.12 H new ATOM 0 HB2 HIS A 129 -4.858 16.420 -4.981 1.00 65.00 H new ATOM 0 HB3 HIS A 129 -4.923 14.821 -4.268 1.00 65.00 H new ATOM 0 HD1 HIS A 129 -7.359 16.616 -6.683 1.00 61.43 H new ATOM 0 HD2 HIS A 129 -5.163 13.071 -6.339 1.00 34.43 H new ATOM 0 HE1 HIS A 129 -7.900 15.222 -8.736 1.00 63.24 H new ATOM 2163 N HIS A 130 -7.798 18.139 -3.105 1.00 43.43 N ATOM 2164 CA HIS A 130 -8.318 19.501 -3.264 1.00 55.40 C ATOM 2165 C HIS A 130 -7.170 20.491 -3.011 1.00 63.51 C ATOM 2166 O HIS A 130 -6.430 20.333 -2.033 1.00 21.20 O ATOM 2167 CB HIS A 130 -9.539 19.744 -2.327 1.00 20.31 C ATOM 2168 CG HIS A 130 -9.329 19.431 -0.862 1.00 15.10 C ATOM 2169 ND1 HIS A 130 -9.559 18.181 -0.330 1.00 43.33 N ATOM 2170 CD2 HIS A 130 -8.946 20.211 0.183 1.00 62.20 C ATOM 2171 CE1 HIS A 130 -9.342 18.207 0.967 1.00 44.14 C ATOM 2172 NE2 HIS A 130 -8.968 19.423 1.304 1.00 14.33 N ATOM 0 H HIS A 130 -7.964 17.740 -2.181 1.00 43.43 H new ATOM 0 HA HIS A 130 -8.687 19.650 -4.279 1.00 55.40 H new ATOM 0 HB2 HIS A 130 -9.836 20.789 -2.415 1.00 20.31 H new ATOM 0 HB3 HIS A 130 -10.374 19.144 -2.689 1.00 20.31 H new ATOM 0 HD1 HIS A 130 -9.853 17.361 -0.861 1.00 43.33 H new ATOM 0 HD2 HIS A 130 -8.675 21.256 0.138 1.00 62.20 H new ATOM 0 HE1 HIS A 130 -9.452 17.371 1.642 1.00 44.14 H new ATOM 2181 N HIS A 131 -7.003 21.468 -3.934 1.00 42.33 N ATOM 2182 CA HIS A 131 -5.865 22.409 -3.929 1.00 73.20 C ATOM 2183 C HIS A 131 -5.735 23.145 -2.578 1.00 25.30 C ATOM 2184 O HIS A 131 -6.628 23.897 -2.165 1.00 43.54 O ATOM 2185 CB HIS A 131 -5.949 23.408 -5.128 1.00 45.21 C ATOM 2186 CG HIS A 131 -7.276 24.119 -5.309 1.00 54.33 C ATOM 2187 ND1 HIS A 131 -8.192 23.744 -6.272 1.00 21.40 N ATOM 2188 CD2 HIS A 131 -7.819 25.204 -4.693 1.00 10.22 C ATOM 2189 CE1 HIS A 131 -9.227 24.555 -6.234 1.00 31.33 C ATOM 2190 NE2 HIS A 131 -9.029 25.443 -5.285 1.00 51.22 N ATOM 0 H HIS A 131 -7.656 21.623 -4.702 1.00 42.33 H new ATOM 0 HA HIS A 131 -4.956 21.821 -4.057 1.00 73.20 H new ATOM 0 HB2 HIS A 131 -5.170 24.160 -5.003 1.00 45.21 H new ATOM 0 HB3 HIS A 131 -5.723 22.864 -6.045 1.00 45.21 H new ATOM 0 HD2 HIS A 131 -7.377 25.771 -3.887 1.00 10.22 H new ATOM 0 HE1 HIS A 131 -10.094 24.500 -6.875 1.00 31.33 H new ATOM 0 HE2 HIS A 131 -9.674 26.191 -5.031 1.00 51.22 H new ATOM 2199 N HIS A 132 -4.624 22.867 -1.880 1.00 32.32 N ATOM 2200 CA HIS A 132 -4.298 23.463 -0.581 1.00 0.01 C ATOM 2201 C HIS A 132 -2.789 23.731 -0.535 1.00 41.51 C ATOM 2202 O HIS A 132 -1.989 22.791 -0.610 1.00 23.35 O ATOM 2203 CB HIS A 132 -4.736 22.525 0.577 1.00 35.01 C ATOM 2204 CG HIS A 132 -4.476 23.088 1.954 1.00 5.51 C ATOM 2205 ND1 HIS A 132 -5.335 23.965 2.581 1.00 4.23 N ATOM 2206 CD2 HIS A 132 -3.444 22.904 2.821 1.00 14.12 C ATOM 2207 CE1 HIS A 132 -4.843 24.293 3.758 1.00 75.15 C ATOM 2208 NE2 HIS A 132 -3.703 23.663 3.927 1.00 60.13 N ATOM 0 H HIS A 132 -3.917 22.210 -2.210 1.00 32.32 H new ATOM 0 HA HIS A 132 -4.837 24.402 -0.457 1.00 0.01 H new ATOM 0 HB2 HIS A 132 -5.801 22.314 0.477 1.00 35.01 H new ATOM 0 HB3 HIS A 132 -4.212 21.574 0.479 1.00 35.01 H new ATOM 0 HD2 HIS A 132 -2.580 22.275 2.664 1.00 14.12 H new ATOM 0 HE1 HIS A 132 -5.301 24.968 4.466 1.00 75.15 H new ATOM 0 HE2 HIS A 132 -3.107 23.730 4.752 1.00 60.13 H new ATOM 2217 N HIS A 133 -2.417 25.023 -0.463 1.00 12.12 N ATOM 2218 CA HIS A 133 -1.014 25.456 -0.336 1.00 33.12 C ATOM 2219 C HIS A 133 -0.436 25.031 1.026 1.00 3.14 C ATOM 2220 O HIS A 133 -1.131 25.116 2.048 1.00 71.31 O ATOM 2221 CB HIS A 133 -0.892 26.997 -0.492 1.00 41.41 C ATOM 2222 CG HIS A 133 -1.317 27.531 -1.832 1.00 63.21 C ATOM 2223 ND1 HIS A 133 -2.329 28.459 -1.988 1.00 22.52 N ATOM 2224 CD2 HIS A 133 -0.863 27.263 -3.080 1.00 64.42 C ATOM 2225 CE1 HIS A 133 -2.467 28.742 -3.268 1.00 33.01 C ATOM 2226 NE2 HIS A 133 -1.594 28.031 -3.950 1.00 55.33 N ATOM 0 H HIS A 133 -3.082 25.796 -0.491 1.00 12.12 H new ATOM 0 HA HIS A 133 -0.446 24.975 -1.132 1.00 33.12 H new ATOM 0 HB2 HIS A 133 -1.493 27.475 0.281 1.00 41.41 H new ATOM 0 HB3 HIS A 133 0.144 27.285 -0.314 1.00 41.41 H new ATOM 0 HD2 HIS A 133 -0.073 26.574 -3.341 1.00 64.42 H new ATOM 0 HE1 HIS A 133 -3.177 29.440 -3.687 1.00 33.01 H new ATOM 0 HE2 HIS A 133 -1.479 28.048 -4.963 1.00 55.33 H new ATOM 2235 N HIS A 134 0.828 24.567 1.028 1.00 33.33 N ATOM 2236 CA HIS A 134 1.561 24.232 2.268 1.00 5.35 C ATOM 2237 C HIS A 134 2.436 25.440 2.688 1.00 64.51 C ATOM 2238 O HIS A 134 2.152 26.063 3.726 1.00 33.40 O ATOM 2239 CB HIS A 134 2.389 22.914 2.108 1.00 34.32 C ATOM 2240 CG HIS A 134 3.402 22.884 0.988 1.00 25.31 C ATOM 2241 ND1 HIS A 134 3.061 22.692 -0.334 1.00 3.34 N ATOM 2242 CD2 HIS A 134 4.752 23.015 1.003 1.00 64.14 C ATOM 2243 CE1 HIS A 134 4.153 22.696 -1.072 1.00 64.53 C ATOM 2244 NE2 HIS A 134 5.187 22.891 -0.287 1.00 41.42 N ATOM 2245 OXT HIS A 134 3.343 25.824 1.928 1.00 37.63 O ATOM 0 H HIS A 134 1.369 24.414 0.177 1.00 33.33 H new ATOM 0 HA HIS A 134 0.847 24.036 3.068 1.00 5.35 H new ATOM 0 HB2 HIS A 134 2.912 22.724 3.045 1.00 34.32 H new ATOM 0 HB3 HIS A 134 1.692 22.089 1.959 1.00 34.32 H new ATOM 0 HD2 HIS A 134 5.369 23.186 1.873 1.00 64.14 H new ATOM 0 HE1 HIS A 134 4.191 22.561 -2.143 1.00 64.53 H new ATOM 0 HE2 HIS A 134 6.159 22.942 -0.591 1.00 41.42 H new TER 2254 HIS A 134