USER MOD reduce.3.24.130724 H: found=0, std=0, add=1076, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 1077 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 3 THR OG1 : rot 160:sc=-0.000303 USER MOD Single : A 9 SER OG : rot 93:sc= 0.782 USER MOD Single : A 10 ASN : amide:sc= 0.466 K(o=0.47,f=-0.3) USER MOD Single : A 24 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 SER OG : rot 158:sc= 0.304 USER MOD Single : A 28 ASN : amide:sc= -0.236 X(o=-0.24,f=-0.66) USER MOD Single : A 30 LYS NZ :NH3+ -138:sc= 0.148 (180deg=-0.0274) USER MOD Single : A 31 THR OG1 : rot -79:sc= -0.111 USER MOD Single : A 34 THR OG1 : rot -140:sc= -0.484 USER MOD Single : A 37 LYS NZ :NH3+ 163:sc= -0.0919 (180deg=-0.405) USER MOD Single : A 39 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 LYS NZ :NH3+ -147:sc= -0.0177 (180deg=-1.18) USER MOD Single : A 46 LYS NZ :NH3+ -151:sc= 0.701 (180deg=0.271) USER MOD Single : A 49 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 50 GLN : amide:sc=-0.00999 X(o=-0.01,f=-0.15) USER MOD Single : A 62 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot -111:sc= 0.116 USER MOD Single : A 74 GLN : amide:sc= -0.663 X(o=-0.66,f=-0.46) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 LYS NZ :NH3+ 143:sc= -0.324 (180deg=-3.1!) USER MOD Single : A 87 GLN : amide:sc= 0.3 K(o=0.3,f=-0.36) USER MOD Single : A 89 GLN : amide:sc= 0 X(o=0,f=-0.43) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 98 GLN : amide:sc= -0.136 X(o=-0.14,f=-0.14) USER MOD Single : A 100 LYS NZ :NH3+ 176:sc= 0.409 (180deg=0.391) USER MOD Single : A 101 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot 98:sc= -1.27 USER MOD Single : A 111 ASN : amide:sc= -0.221 X(o=-0.22,f=0) USER MOD Single : A 116 LYS NZ :NH3+ -154:sc= 0.102 (180deg=0.00436) USER MOD Single : A 117 LYS NZ :NH3+ -125:sc= 0.261 (180deg=0.0859) USER MOD Single : A 120 LYS NZ :NH3+ 174:sc= 0.495 (180deg=0.439) USER MOD Single : A 125 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 20 N GLY A 2 -1.318 -12.882 0.758 1.00 62.20 N ATOM 21 CA GLY A 2 -0.166 -12.095 1.211 1.00 51.14 C ATOM 22 C GLY A 2 0.076 -10.873 0.327 1.00 14.32 C ATOM 23 O GLY A 2 1.223 -10.460 0.119 1.00 52.23 O ATOM 0 HA2 GLY A 2 -0.329 -11.772 2.239 1.00 51.14 H new ATOM 0 HA3 GLY A 2 0.724 -12.724 1.212 1.00 51.14 H new ATOM 27 N THR A 3 -1.033 -10.310 -0.193 1.00 12.24 N ATOM 28 CA THR A 3 -1.014 -9.189 -1.140 1.00 5.12 C ATOM 29 C THR A 3 -0.454 -7.923 -0.481 1.00 43.24 C ATOM 30 O THR A 3 -0.865 -7.561 0.629 1.00 62.12 O ATOM 31 CB THR A 3 -2.454 -8.908 -1.697 1.00 41.33 C ATOM 32 OG1 THR A 3 -3.374 -8.686 -0.616 1.00 60.43 O ATOM 33 CG2 THR A 3 -2.976 -10.075 -2.539 1.00 52.52 C ATOM 0 H THR A 3 -1.974 -10.628 0.038 1.00 12.24 H new ATOM 0 HA THR A 3 -0.363 -9.466 -1.969 1.00 5.12 H new ATOM 0 HB THR A 3 -2.382 -8.020 -2.326 1.00 41.33 H new ATOM 0 HG1 THR A 3 -4.162 -8.209 -0.950 1.00 60.43 H new ATOM 0 HG21 THR A 3 -3.975 -9.841 -2.906 1.00 52.52 H new ATOM 0 HG22 THR A 3 -2.309 -10.241 -3.385 1.00 52.52 H new ATOM 0 HG23 THR A 3 -3.016 -10.976 -1.927 1.00 52.52 H new ATOM 41 N VAL A 4 0.464 -7.242 -1.175 1.00 75.22 N ATOM 42 CA VAL A 4 1.120 -6.056 -0.633 1.00 31.34 C ATOM 43 C VAL A 4 0.294 -4.849 -1.082 1.00 62.10 C ATOM 44 O VAL A 4 0.249 -4.539 -2.273 1.00 10.40 O ATOM 45 CB VAL A 4 2.615 -5.953 -1.149 1.00 51.12 C ATOM 46 CG1 VAL A 4 3.399 -4.852 -0.392 1.00 44.41 C ATOM 47 CG2 VAL A 4 3.332 -7.325 -1.042 1.00 13.54 C ATOM 0 H VAL A 4 0.767 -7.496 -2.115 1.00 75.22 H new ATOM 0 HA VAL A 4 1.171 -6.101 0.455 1.00 31.34 H new ATOM 0 HB VAL A 4 2.585 -5.669 -2.201 1.00 51.12 H new ATOM 0 HG11 VAL A 4 4.420 -4.808 -0.770 1.00 44.41 H new ATOM 0 HG12 VAL A 4 2.913 -3.888 -0.545 1.00 44.41 H new ATOM 0 HG13 VAL A 4 3.416 -5.084 0.673 1.00 44.41 H new ATOM 0 HG21 VAL A 4 4.356 -7.229 -1.402 1.00 13.54 H new ATOM 0 HG22 VAL A 4 3.342 -7.650 -0.002 1.00 13.54 H new ATOM 0 HG23 VAL A 4 2.802 -8.061 -1.647 1.00 13.54 H new ATOM 57 N VAL A 5 -0.374 -4.188 -0.123 1.00 24.34 N ATOM 58 CA VAL A 5 -1.226 -3.019 -0.394 1.00 33.31 C ATOM 59 C VAL A 5 -0.646 -1.806 0.345 1.00 42.21 C ATOM 60 O VAL A 5 -0.622 -1.756 1.571 1.00 41.45 O ATOM 61 CB VAL A 5 -2.749 -3.277 -0.018 1.00 31.12 C ATOM 62 CG1 VAL A 5 -3.426 -4.215 -1.051 1.00 74.05 C ATOM 63 CG2 VAL A 5 -2.915 -3.848 1.414 1.00 21.20 C ATOM 0 H VAL A 5 -0.339 -4.449 0.862 1.00 24.34 H new ATOM 0 HA VAL A 5 -1.225 -2.822 -1.466 1.00 33.31 H new ATOM 0 HB VAL A 5 -3.245 -2.307 -0.043 1.00 31.12 H new ATOM 0 HG11 VAL A 5 -4.467 -4.375 -0.770 1.00 74.05 H new ATOM 0 HG12 VAL A 5 -3.383 -3.758 -2.040 1.00 74.05 H new ATOM 0 HG13 VAL A 5 -2.904 -5.172 -1.070 1.00 74.05 H new ATOM 0 HG21 VAL A 5 -3.973 -4.006 1.622 1.00 21.20 H new ATOM 0 HG22 VAL A 5 -2.384 -4.797 1.491 1.00 21.20 H new ATOM 0 HG23 VAL A 5 -2.505 -3.143 2.137 1.00 21.20 H new ATOM 73 N ILE A 6 -0.144 -0.834 -0.424 1.00 41.32 N ATOM 74 CA ILE A 6 0.563 0.328 0.123 1.00 41.42 C ATOM 75 C ILE A 6 -0.380 1.534 0.074 1.00 0.33 C ATOM 76 O ILE A 6 -0.713 2.004 -1.009 1.00 54.52 O ATOM 77 CB ILE A 6 1.901 0.653 -0.665 1.00 1.13 C ATOM 78 CG1 ILE A 6 2.881 -0.580 -0.747 1.00 74.13 C ATOM 79 CG2 ILE A 6 2.626 1.864 -0.026 1.00 44.22 C ATOM 80 CD1 ILE A 6 2.518 -1.643 -1.778 1.00 53.22 C ATOM 0 H ILE A 6 -0.216 -0.831 -1.441 1.00 41.32 H new ATOM 0 HA ILE A 6 0.853 0.101 1.149 1.00 41.42 H new ATOM 0 HB ILE A 6 1.608 0.897 -1.686 1.00 1.13 H new ATOM 0 HG12 ILE A 6 3.882 -0.211 -0.969 1.00 74.13 H new ATOM 0 HG13 ILE A 6 2.925 -1.052 0.235 1.00 74.13 H new ATOM 0 HG21 ILE A 6 3.542 2.073 -0.579 1.00 44.22 H new ATOM 0 HG22 ILE A 6 1.974 2.737 -0.059 1.00 44.22 H new ATOM 0 HG23 ILE A 6 2.873 1.635 1.011 1.00 44.22 H new ATOM 0 HD11 ILE A 6 3.257 -2.444 -1.750 1.00 53.22 H new ATOM 0 HD12 ILE A 6 1.533 -2.050 -1.550 1.00 53.22 H new ATOM 0 HD13 ILE A 6 2.505 -1.196 -2.772 1.00 53.22 H new ATOM 92 N VAL A 7 -0.807 2.011 1.249 1.00 65.22 N ATOM 93 CA VAL A 7 -1.679 3.186 1.372 1.00 4.53 C ATOM 94 C VAL A 7 -0.800 4.439 1.427 1.00 64.32 C ATOM 95 O VAL A 7 0.089 4.543 2.281 1.00 25.34 O ATOM 96 CB VAL A 7 -2.577 3.109 2.657 1.00 14.24 C ATOM 97 CG1 VAL A 7 -3.450 4.378 2.820 1.00 72.02 C ATOM 98 CG2 VAL A 7 -3.447 1.837 2.636 1.00 73.05 C ATOM 0 H VAL A 7 -0.557 1.592 2.145 1.00 65.22 H new ATOM 0 HA VAL A 7 -2.345 3.221 0.510 1.00 4.53 H new ATOM 0 HB VAL A 7 -1.916 3.058 3.522 1.00 14.24 H new ATOM 0 HG11 VAL A 7 -4.058 4.288 3.720 1.00 72.02 H new ATOM 0 HG12 VAL A 7 -2.807 5.254 2.902 1.00 72.02 H new ATOM 0 HG13 VAL A 7 -4.101 4.486 1.952 1.00 72.02 H new ATOM 0 HG21 VAL A 7 -4.062 1.802 3.535 1.00 73.05 H new ATOM 0 HG22 VAL A 7 -4.091 1.851 1.756 1.00 73.05 H new ATOM 0 HG23 VAL A 7 -2.804 0.957 2.602 1.00 73.05 H new ATOM 108 N VAL A 8 -1.053 5.370 0.500 1.00 53.42 N ATOM 109 CA VAL A 8 -0.250 6.583 0.318 1.00 21.55 C ATOM 110 C VAL A 8 -1.186 7.796 0.233 1.00 75.13 C ATOM 111 O VAL A 8 -2.316 7.685 -0.259 1.00 62.00 O ATOM 112 CB VAL A 8 0.625 6.543 -0.998 1.00 31.01 C ATOM 113 CG1 VAL A 8 1.727 7.633 -0.964 1.00 70.40 C ATOM 114 CG2 VAL A 8 1.210 5.136 -1.273 1.00 3.13 C ATOM 0 H VAL A 8 -1.833 5.300 -0.154 1.00 53.42 H new ATOM 0 HA VAL A 8 0.425 6.652 1.171 1.00 21.55 H new ATOM 0 HB VAL A 8 -0.037 6.766 -1.835 1.00 31.01 H new ATOM 0 HG11 VAL A 8 2.315 7.585 -1.880 1.00 70.40 H new ATOM 0 HG12 VAL A 8 1.264 8.616 -0.882 1.00 70.40 H new ATOM 0 HG13 VAL A 8 2.378 7.466 -0.106 1.00 70.40 H new ATOM 0 HG21 VAL A 8 1.803 5.161 -2.187 1.00 3.13 H new ATOM 0 HG22 VAL A 8 1.843 4.836 -0.438 1.00 3.13 H new ATOM 0 HG23 VAL A 8 0.396 4.420 -1.387 1.00 3.13 H new ATOM 124 N SER A 9 -0.686 8.941 0.694 1.00 12.44 N ATOM 125 CA SER A 9 -1.361 10.238 0.576 1.00 1.31 C ATOM 126 C SER A 9 -0.351 11.356 0.843 1.00 41.23 C ATOM 127 O SER A 9 0.734 11.106 1.372 1.00 20.41 O ATOM 128 CB SER A 9 -2.549 10.324 1.560 1.00 12.45 C ATOM 129 OG SER A 9 -2.155 9.999 2.877 1.00 50.32 O ATOM 0 H SER A 9 0.215 8.997 1.169 1.00 12.44 H new ATOM 0 HA SER A 9 -1.758 10.349 -0.433 1.00 1.31 H new ATOM 0 HB2 SER A 9 -2.966 11.331 1.542 1.00 12.45 H new ATOM 0 HB3 SER A 9 -3.339 9.646 1.238 1.00 12.45 H new ATOM 0 HG SER A 9 -1.906 10.817 3.355 1.00 50.32 H new ATOM 135 N ASN A 10 -0.728 12.598 0.510 1.00 42.50 N ATOM 136 CA ASN A 10 0.142 13.784 0.696 1.00 42.31 C ATOM 137 C ASN A 10 -0.021 14.378 2.110 1.00 62.53 C ATOM 138 O ASN A 10 0.395 15.515 2.367 1.00 3.45 O ATOM 139 CB ASN A 10 -0.179 14.855 -0.388 1.00 0.03 C ATOM 140 CG ASN A 10 -0.004 14.348 -1.824 1.00 74.31 C ATOM 141 OD1 ASN A 10 0.823 13.475 -2.098 1.00 72.15 O ATOM 142 ND2 ASN A 10 -0.781 14.895 -2.751 1.00 72.12 N ATOM 0 H ASN A 10 -1.639 12.816 0.106 1.00 42.50 H new ATOM 0 HA ASN A 10 1.180 13.469 0.586 1.00 42.31 H new ATOM 0 HB2 ASN A 10 -1.205 15.198 -0.255 1.00 0.03 H new ATOM 0 HB3 ASN A 10 0.468 15.719 -0.236 1.00 0.03 H new ATOM 0 HD21 ASN A 10 -0.704 14.595 -3.723 1.00 72.12 H new ATOM 0 HD22 ASN A 10 -1.455 15.615 -2.491 1.00 72.12 H new ATOM 149 N ASP A 11 -0.563 13.568 3.039 1.00 61.41 N ATOM 150 CA ASP A 11 -0.946 14.005 4.384 1.00 33.21 C ATOM 151 C ASP A 11 -0.966 12.792 5.333 1.00 65.22 C ATOM 152 O ASP A 11 -1.336 11.686 4.930 1.00 21.24 O ATOM 153 CB ASP A 11 -2.323 14.700 4.315 1.00 22.43 C ATOM 154 CG ASP A 11 -2.837 15.220 5.663 1.00 1.45 C ATOM 155 OD1 ASP A 11 -2.544 16.374 6.027 1.00 64.10 O ATOM 156 OD2 ASP A 11 -3.541 14.479 6.358 1.00 70.45 O ATOM 0 H ASP A 11 -0.747 12.579 2.869 1.00 61.41 H new ATOM 0 HA ASP A 11 -0.222 14.720 4.774 1.00 33.21 H new ATOM 0 HB2 ASP A 11 -2.261 15.535 3.617 1.00 22.43 H new ATOM 0 HB3 ASP A 11 -3.051 13.998 3.908 1.00 22.43 H new ATOM 161 N GLU A 12 -0.578 13.019 6.601 1.00 40.13 N ATOM 162 CA GLU A 12 -0.437 11.952 7.614 1.00 62.30 C ATOM 163 C GLU A 12 -1.809 11.532 8.168 1.00 54.41 C ATOM 164 O GLU A 12 -2.042 10.360 8.443 1.00 61.44 O ATOM 165 CB GLU A 12 0.475 12.444 8.766 1.00 4.21 C ATOM 166 CG GLU A 12 1.837 12.999 8.296 1.00 13.53 C ATOM 167 CD GLU A 12 2.702 13.555 9.443 1.00 22.10 C ATOM 168 OE1 GLU A 12 2.223 14.453 10.178 1.00 45.02 O ATOM 169 OE2 GLU A 12 3.857 13.109 9.617 1.00 31.15 O ATOM 0 H GLU A 12 -0.352 13.949 6.955 1.00 40.13 H new ATOM 0 HA GLU A 12 0.016 11.082 7.139 1.00 62.30 H new ATOM 0 HB2 GLU A 12 -0.049 13.220 9.324 1.00 4.21 H new ATOM 0 HB3 GLU A 12 0.649 11.618 9.456 1.00 4.21 H new ATOM 0 HG2 GLU A 12 2.387 12.207 7.787 1.00 13.53 H new ATOM 0 HG3 GLU A 12 1.666 13.789 7.565 1.00 13.53 H new ATOM 176 N ARG A 13 -2.712 12.509 8.303 1.00 23.51 N ATOM 177 CA ARG A 13 -4.041 12.301 8.909 1.00 15.23 C ATOM 178 C ARG A 13 -4.976 11.535 7.971 1.00 30.41 C ATOM 179 O ARG A 13 -5.920 10.911 8.440 1.00 2.41 O ATOM 180 CB ARG A 13 -4.679 13.640 9.315 1.00 11.10 C ATOM 181 CG ARG A 13 -3.792 14.529 10.216 1.00 55.04 C ATOM 182 CD ARG A 13 -4.469 15.868 10.551 1.00 51.04 C ATOM 183 NE ARG A 13 -4.910 16.584 9.343 1.00 13.10 N ATOM 184 CZ ARG A 13 -5.393 17.837 9.314 1.00 34.40 C ATOM 185 NH1 ARG A 13 -5.511 18.562 10.432 1.00 22.04 N ATOM 186 NH2 ARG A 13 -5.794 18.338 8.161 1.00 31.54 N ATOM 0 H ARG A 13 -2.547 13.468 7.997 1.00 23.51 H new ATOM 0 HA ARG A 13 -3.893 11.698 9.805 1.00 15.23 H new ATOM 0 HB2 ARG A 13 -4.930 14.197 8.412 1.00 11.10 H new ATOM 0 HB3 ARG A 13 -5.615 13.438 9.835 1.00 11.10 H new ATOM 0 HG2 ARG A 13 -3.565 13.997 11.140 1.00 55.04 H new ATOM 0 HG3 ARG A 13 -2.842 14.718 9.716 1.00 55.04 H new ATOM 0 HD2 ARG A 13 -5.327 15.688 11.198 1.00 51.04 H new ATOM 0 HD3 ARG A 13 -3.774 16.495 11.110 1.00 51.04 H new ATOM 0 HE ARG A 13 -4.843 16.088 8.454 1.00 13.10 H new ATOM 0 HH11 ARG A 13 -5.232 18.165 11.329 1.00 22.04 H new ATOM 0 HH12 ARG A 13 -5.880 19.512 10.387 1.00 22.04 H new ATOM 0 HH21 ARG A 13 -5.734 17.776 7.312 1.00 31.54 H new ATOM 0 HH22 ARG A 13 -6.164 19.288 8.119 1.00 31.54 H new ATOM 200 N ILE A 14 -4.735 11.632 6.648 1.00 73.14 N ATOM 201 CA ILE A 14 -5.439 10.796 5.660 1.00 1.30 C ATOM 202 C ILE A 14 -5.037 9.321 5.867 1.00 31.14 C ATOM 203 O ILE A 14 -5.885 8.440 5.835 1.00 23.23 O ATOM 204 CB ILE A 14 -5.145 11.234 4.178 1.00 33.31 C ATOM 205 CG1 ILE A 14 -5.535 12.727 3.952 1.00 23.34 C ATOM 206 CG2 ILE A 14 -5.884 10.319 3.163 1.00 60.52 C ATOM 207 CD1 ILE A 14 -5.272 13.238 2.544 1.00 61.53 C ATOM 0 H ILE A 14 -4.060 12.280 6.242 1.00 73.14 H new ATOM 0 HA ILE A 14 -6.510 10.924 5.819 1.00 1.30 H new ATOM 0 HB ILE A 14 -4.073 11.128 4.009 1.00 33.31 H new ATOM 0 HG12 ILE A 14 -6.594 12.852 4.179 1.00 23.34 H new ATOM 0 HG13 ILE A 14 -4.982 13.345 4.659 1.00 23.34 H new ATOM 0 HG21 ILE A 14 -5.661 10.647 2.148 1.00 60.52 H new ATOM 0 HG22 ILE A 14 -5.552 9.289 3.293 1.00 60.52 H new ATOM 0 HG23 ILE A 14 -6.959 10.378 3.335 1.00 60.52 H new ATOM 0 HD11 ILE A 14 -5.572 14.284 2.475 1.00 61.53 H new ATOM 0 HD12 ILE A 14 -4.210 13.149 2.317 1.00 61.53 H new ATOM 0 HD13 ILE A 14 -5.846 12.648 1.830 1.00 61.53 H new ATOM 219 N LEU A 15 -3.735 9.084 6.123 1.00 41.25 N ATOM 220 CA LEU A 15 -3.221 7.741 6.482 1.00 24.32 C ATOM 221 C LEU A 15 -3.893 7.220 7.758 1.00 22.35 C ATOM 222 O LEU A 15 -4.289 6.070 7.819 1.00 4.53 O ATOM 223 CB LEU A 15 -1.687 7.769 6.690 1.00 25.54 C ATOM 224 CG LEU A 15 -0.843 8.086 5.432 1.00 61.44 C ATOM 225 CD1 LEU A 15 0.633 8.312 5.819 1.00 20.32 C ATOM 226 CD2 LEU A 15 -1.007 6.966 4.371 1.00 61.32 C ATOM 0 H LEU A 15 -3.016 9.806 6.088 1.00 41.25 H new ATOM 0 HA LEU A 15 -3.456 7.073 5.654 1.00 24.32 H new ATOM 0 HB2 LEU A 15 -1.456 8.510 7.455 1.00 25.54 H new ATOM 0 HB3 LEU A 15 -1.374 6.800 7.080 1.00 25.54 H new ATOM 0 HG LEU A 15 -1.205 9.010 4.982 1.00 61.44 H new ATOM 0 HD11 LEU A 15 1.214 8.534 4.924 1.00 20.32 H new ATOM 0 HD12 LEU A 15 0.703 9.149 6.514 1.00 20.32 H new ATOM 0 HD13 LEU A 15 1.027 7.413 6.293 1.00 20.32 H new ATOM 0 HD21 LEU A 15 -0.407 7.206 3.493 1.00 61.32 H new ATOM 0 HD22 LEU A 15 -0.674 6.016 4.790 1.00 61.32 H new ATOM 0 HD23 LEU A 15 -2.055 6.888 4.083 1.00 61.32 H new ATOM 238 N GLU A 16 -4.021 8.110 8.751 1.00 32.12 N ATOM 239 CA GLU A 16 -4.577 7.787 10.079 1.00 53.30 C ATOM 240 C GLU A 16 -6.108 7.578 10.021 1.00 74.22 C ATOM 241 O GLU A 16 -6.652 6.766 10.771 1.00 71.23 O ATOM 242 CB GLU A 16 -4.196 8.912 11.075 1.00 40.12 C ATOM 243 CG GLU A 16 -2.675 9.051 11.309 1.00 43.33 C ATOM 244 CD GLU A 16 -2.313 10.283 12.149 1.00 12.35 C ATOM 245 OE1 GLU A 16 -2.118 11.373 11.574 1.00 12.53 O ATOM 246 OE2 GLU A 16 -2.229 10.171 13.391 1.00 5.15 O ATOM 0 H GLU A 16 -3.739 9.086 8.657 1.00 32.12 H new ATOM 0 HA GLU A 16 -4.149 6.845 10.422 1.00 53.30 H new ATOM 0 HB2 GLU A 16 -4.585 9.860 10.703 1.00 40.12 H new ATOM 0 HB3 GLU A 16 -4.685 8.719 12.030 1.00 40.12 H new ATOM 0 HG2 GLU A 16 -2.305 8.155 11.808 1.00 43.33 H new ATOM 0 HG3 GLU A 16 -2.168 9.112 10.346 1.00 43.33 H new ATOM 253 N GLU A 17 -6.776 8.316 9.119 1.00 61.54 N ATOM 254 CA GLU A 17 -8.213 8.139 8.817 1.00 61.13 C ATOM 255 C GLU A 17 -8.443 6.748 8.194 1.00 42.43 C ATOM 256 O GLU A 17 -9.239 5.941 8.687 1.00 10.43 O ATOM 257 CB GLU A 17 -8.668 9.251 7.824 1.00 21.22 C ATOM 258 CG GLU A 17 -10.115 9.130 7.292 1.00 11.02 C ATOM 259 CD GLU A 17 -11.204 9.388 8.350 1.00 20.14 C ATOM 260 OE1 GLU A 17 -11.607 8.437 9.060 1.00 34.33 O ATOM 261 OE2 GLU A 17 -11.681 10.541 8.458 1.00 62.53 O ATOM 0 H GLU A 17 -6.335 9.057 8.574 1.00 61.54 H new ATOM 0 HA GLU A 17 -8.795 8.215 9.735 1.00 61.13 H new ATOM 0 HB2 GLU A 17 -8.562 10.217 8.317 1.00 21.22 H new ATOM 0 HB3 GLU A 17 -7.987 9.252 6.973 1.00 21.22 H new ATOM 0 HG2 GLU A 17 -10.248 9.835 6.472 1.00 11.02 H new ATOM 0 HG3 GLU A 17 -10.255 8.131 6.879 1.00 11.02 H new ATOM 268 N LEU A 18 -7.658 6.477 7.143 1.00 44.33 N ATOM 269 CA LEU A 18 -7.700 5.231 6.357 1.00 62.31 C ATOM 270 C LEU A 18 -7.232 4.021 7.198 1.00 42.55 C ATOM 271 O LEU A 18 -7.677 2.894 6.974 1.00 35.44 O ATOM 272 CB LEU A 18 -6.835 5.419 5.065 1.00 52.25 C ATOM 273 CG LEU A 18 -7.553 6.065 3.817 1.00 3.13 C ATOM 274 CD1 LEU A 18 -8.294 7.383 4.150 1.00 2.43 C ATOM 275 CD2 LEU A 18 -6.545 6.280 2.663 1.00 61.44 C ATOM 0 H LEU A 18 -6.956 7.135 6.804 1.00 44.33 H new ATOM 0 HA LEU A 18 -8.728 5.018 6.063 1.00 62.31 H new ATOM 0 HB2 LEU A 18 -5.974 6.037 5.319 1.00 52.25 H new ATOM 0 HB3 LEU A 18 -6.450 4.443 4.768 1.00 52.25 H new ATOM 0 HG LEU A 18 -8.318 5.357 3.500 1.00 3.13 H new ATOM 0 HD11 LEU A 18 -8.765 7.773 3.248 1.00 2.43 H new ATOM 0 HD12 LEU A 18 -9.057 7.191 4.904 1.00 2.43 H new ATOM 0 HD13 LEU A 18 -7.582 8.114 4.533 1.00 2.43 H new ATOM 0 HD21 LEU A 18 -7.057 6.726 1.811 1.00 61.44 H new ATOM 0 HD22 LEU A 18 -5.748 6.945 2.996 1.00 61.44 H new ATOM 0 HD23 LEU A 18 -6.119 5.321 2.369 1.00 61.44 H new ATOM 287 N LEU A 19 -6.352 4.299 8.174 1.00 4.21 N ATOM 288 CA LEU A 19 -5.792 3.300 9.105 1.00 73.55 C ATOM 289 C LEU A 19 -6.891 2.622 9.909 1.00 60.51 C ATOM 290 O LEU A 19 -6.966 1.396 9.978 1.00 65.05 O ATOM 291 CB LEU A 19 -4.814 3.993 10.087 1.00 11.01 C ATOM 292 CG LEU A 19 -4.150 3.079 11.159 1.00 34.43 C ATOM 293 CD1 LEU A 19 -3.056 2.178 10.551 1.00 42.42 C ATOM 294 CD2 LEU A 19 -3.632 3.915 12.343 1.00 34.32 C ATOM 0 H LEU A 19 -6.002 5.242 8.343 1.00 4.21 H new ATOM 0 HA LEU A 19 -5.269 2.547 8.515 1.00 73.55 H new ATOM 0 HB2 LEU A 19 -4.024 4.468 9.505 1.00 11.01 H new ATOM 0 HB3 LEU A 19 -5.353 4.789 10.602 1.00 11.01 H new ATOM 0 HG LEU A 19 -4.915 2.405 11.546 1.00 34.43 H new ATOM 0 HD11 LEU A 19 -2.619 1.557 11.333 1.00 42.42 H new ATOM 0 HD12 LEU A 19 -3.495 1.540 9.784 1.00 42.42 H new ATOM 0 HD13 LEU A 19 -2.279 2.799 10.105 1.00 42.42 H new ATOM 0 HD21 LEU A 19 -3.172 3.256 13.080 1.00 34.32 H new ATOM 0 HD22 LEU A 19 -2.893 4.632 11.986 1.00 34.32 H new ATOM 0 HD23 LEU A 19 -4.464 4.449 12.803 1.00 34.32 H new ATOM 306 N GLU A 20 -7.742 3.467 10.497 1.00 13.35 N ATOM 307 CA GLU A 20 -8.829 3.047 11.381 1.00 35.12 C ATOM 308 C GLU A 20 -9.874 2.233 10.621 1.00 72.13 C ATOM 309 O GLU A 20 -10.516 1.360 11.199 1.00 54.44 O ATOM 310 CB GLU A 20 -9.461 4.285 12.046 1.00 32.31 C ATOM 311 CG GLU A 20 -8.449 5.141 12.829 1.00 51.43 C ATOM 312 CD GLU A 20 -9.091 6.366 13.497 1.00 14.20 C ATOM 313 OE1 GLU A 20 -9.304 7.389 12.806 1.00 33.35 O ATOM 314 OE2 GLU A 20 -9.408 6.307 14.708 1.00 75.43 O ATOM 0 H GLU A 20 -7.693 4.478 10.369 1.00 13.35 H new ATOM 0 HA GLU A 20 -8.422 2.401 12.158 1.00 35.12 H new ATOM 0 HB2 GLU A 20 -9.930 4.901 11.279 1.00 32.31 H new ATOM 0 HB3 GLU A 20 -10.252 3.961 12.722 1.00 32.31 H new ATOM 0 HG2 GLU A 20 -7.974 4.525 13.592 1.00 51.43 H new ATOM 0 HG3 GLU A 20 -7.662 5.474 12.152 1.00 51.43 H new ATOM 321 N VAL A 21 -10.020 2.524 9.317 1.00 11.21 N ATOM 322 CA VAL A 21 -10.912 1.770 8.432 1.00 24.35 C ATOM 323 C VAL A 21 -10.403 0.323 8.265 1.00 13.33 C ATOM 324 O VAL A 21 -11.192 -0.628 8.276 1.00 23.52 O ATOM 325 CB VAL A 21 -11.043 2.442 7.025 1.00 10.15 C ATOM 326 CG1 VAL A 21 -12.106 1.724 6.185 1.00 44.43 C ATOM 327 CG2 VAL A 21 -11.349 3.948 7.140 1.00 42.32 C ATOM 0 H VAL A 21 -9.524 3.285 8.853 1.00 11.21 H new ATOM 0 HA VAL A 21 -11.898 1.763 8.897 1.00 24.35 H new ATOM 0 HB VAL A 21 -10.082 2.347 6.519 1.00 10.15 H new ATOM 0 HG11 VAL A 21 -12.184 2.204 5.210 1.00 44.43 H new ATOM 0 HG12 VAL A 21 -11.822 0.680 6.054 1.00 44.43 H new ATOM 0 HG13 VAL A 21 -13.069 1.777 6.694 1.00 44.43 H new ATOM 0 HG21 VAL A 21 -11.433 4.379 6.143 1.00 42.32 H new ATOM 0 HG22 VAL A 21 -12.288 4.089 7.676 1.00 42.32 H new ATOM 0 HG23 VAL A 21 -10.543 4.443 7.683 1.00 42.32 H new ATOM 337 N VAL A 22 -9.072 0.184 8.145 1.00 3.31 N ATOM 338 CA VAL A 22 -8.415 -1.124 8.034 1.00 50.42 C ATOM 339 C VAL A 22 -8.555 -1.874 9.375 1.00 55.13 C ATOM 340 O VAL A 22 -8.921 -3.044 9.409 1.00 40.43 O ATOM 341 CB VAL A 22 -6.893 -0.976 7.630 1.00 31.54 C ATOM 342 CG1 VAL A 22 -6.187 -2.345 7.496 1.00 21.44 C ATOM 343 CG2 VAL A 22 -6.744 -0.157 6.327 1.00 24.13 C ATOM 0 H VAL A 22 -8.426 0.973 8.123 1.00 3.31 H new ATOM 0 HA VAL A 22 -8.901 -1.696 7.243 1.00 50.42 H new ATOM 0 HB VAL A 22 -6.401 -0.436 8.439 1.00 31.54 H new ATOM 0 HG11 VAL A 22 -5.145 -2.191 7.217 1.00 21.44 H new ATOM 0 HG12 VAL A 22 -6.234 -2.873 8.448 1.00 21.44 H new ATOM 0 HG13 VAL A 22 -6.684 -2.937 6.728 1.00 21.44 H new ATOM 0 HG21 VAL A 22 -5.688 -0.070 6.071 1.00 24.13 H new ATOM 0 HG22 VAL A 22 -7.273 -0.661 5.518 1.00 24.13 H new ATOM 0 HG23 VAL A 22 -7.166 0.838 6.472 1.00 24.13 H new ATOM 353 N LEU A 23 -8.330 -1.150 10.481 1.00 71.00 N ATOM 354 CA LEU A 23 -8.361 -1.722 11.838 1.00 3.42 C ATOM 355 C LEU A 23 -9.780 -2.127 12.300 1.00 52.24 C ATOM 356 O LEU A 23 -9.922 -3.060 13.089 1.00 14.14 O ATOM 357 CB LEU A 23 -7.714 -0.722 12.821 1.00 73.22 C ATOM 358 CG LEU A 23 -6.188 -0.471 12.596 1.00 63.34 C ATOM 359 CD1 LEU A 23 -5.645 0.613 13.553 1.00 62.14 C ATOM 360 CD2 LEU A 23 -5.388 -1.794 12.715 1.00 60.00 C ATOM 0 H LEU A 23 -8.121 -0.152 10.462 1.00 71.00 H new ATOM 0 HA LEU A 23 -7.789 -2.649 11.821 1.00 3.42 H new ATOM 0 HB2 LEU A 23 -8.239 0.230 12.745 1.00 73.22 H new ATOM 0 HB3 LEU A 23 -7.861 -1.087 13.837 1.00 73.22 H new ATOM 0 HG LEU A 23 -6.056 -0.094 11.582 1.00 63.34 H new ATOM 0 HD11 LEU A 23 -4.581 0.761 13.368 1.00 62.14 H new ATOM 0 HD12 LEU A 23 -6.177 1.549 13.382 1.00 62.14 H new ATOM 0 HD13 LEU A 23 -5.793 0.295 14.585 1.00 62.14 H new ATOM 0 HD21 LEU A 23 -4.329 -1.594 12.555 1.00 60.00 H new ATOM 0 HD22 LEU A 23 -5.531 -2.217 13.709 1.00 60.00 H new ATOM 0 HD23 LEU A 23 -5.741 -2.502 11.965 1.00 60.00 H new ATOM 372 N LYS A 24 -10.826 -1.431 11.822 1.00 61.21 N ATOM 373 CA LYS A 24 -12.224 -1.755 12.205 1.00 4.42 C ATOM 374 C LYS A 24 -12.766 -2.901 11.333 1.00 43.40 C ATOM 375 O LYS A 24 -13.578 -3.705 11.803 1.00 3.03 O ATOM 376 CB LYS A 24 -13.147 -0.507 12.115 1.00 63.24 C ATOM 377 CG LYS A 24 -13.431 0.007 10.687 1.00 2.33 C ATOM 378 CD LYS A 24 -14.169 1.364 10.658 1.00 43.13 C ATOM 379 CE LYS A 24 -15.520 1.339 11.391 1.00 73.53 C ATOM 380 NZ LYS A 24 -16.267 2.611 11.199 1.00 64.12 N ATOM 0 H LYS A 24 -10.739 -0.647 11.176 1.00 61.21 H new ATOM 0 HA LYS A 24 -12.219 -2.080 13.245 1.00 4.42 H new ATOM 0 HB2 LYS A 24 -14.097 -0.744 12.593 1.00 63.24 H new ATOM 0 HB3 LYS A 24 -12.694 0.301 12.690 1.00 63.24 H new ATOM 0 HG2 LYS A 24 -12.488 0.103 10.149 1.00 2.33 H new ATOM 0 HG3 LYS A 24 -14.027 -0.734 10.154 1.00 2.33 H new ATOM 0 HD2 LYS A 24 -13.533 2.125 11.110 1.00 43.13 H new ATOM 0 HD3 LYS A 24 -14.332 1.659 9.621 1.00 43.13 H new ATOM 0 HE2 LYS A 24 -16.119 0.505 11.025 1.00 73.53 H new ATOM 0 HE3 LYS A 24 -15.355 1.170 12.455 1.00 73.53 H new ATOM 0 HZ1 LYS A 24 -17.174 2.561 11.706 1.00 64.12 H new ATOM 0 HZ2 LYS A 24 -15.705 3.403 11.571 1.00 64.12 H new ATOM 0 HZ3 LYS A 24 -16.445 2.759 10.185 1.00 64.12 H new ATOM 394 N SER A 25 -12.302 -2.961 10.067 1.00 35.33 N ATOM 395 CA SER A 25 -12.705 -4.004 9.109 1.00 21.20 C ATOM 396 C SER A 25 -12.089 -5.351 9.517 1.00 0.41 C ATOM 397 O SER A 25 -12.802 -6.343 9.723 1.00 2.20 O ATOM 398 CB SER A 25 -12.257 -3.618 7.682 1.00 4.13 C ATOM 399 OG SER A 25 -12.699 -4.557 6.711 1.00 52.45 O ATOM 0 H SER A 25 -11.639 -2.287 9.684 1.00 35.33 H new ATOM 0 HA SER A 25 -13.791 -4.096 9.118 1.00 21.20 H new ATOM 0 HB2 SER A 25 -12.647 -2.631 7.435 1.00 4.13 H new ATOM 0 HB3 SER A 25 -11.170 -3.549 7.650 1.00 4.13 H new ATOM 0 HG SER A 25 -12.721 -4.130 5.829 1.00 52.45 H new ATOM 405 N ASP A 26 -10.755 -5.354 9.641 1.00 4.15 N ATOM 406 CA ASP A 26 -9.983 -6.515 10.091 1.00 51.43 C ATOM 407 C ASP A 26 -8.691 -6.003 10.760 1.00 34.25 C ATOM 408 O ASP A 26 -7.750 -5.605 10.063 1.00 42.54 O ATOM 409 CB ASP A 26 -9.665 -7.470 8.904 1.00 53.20 C ATOM 410 CG ASP A 26 -9.195 -8.866 9.355 1.00 63.33 C ATOM 411 OD1 ASP A 26 -8.076 -8.993 9.890 1.00 60.13 O ATOM 412 OD2 ASP A 26 -9.955 -9.843 9.180 1.00 72.12 O ATOM 0 H ASP A 26 -10.177 -4.541 9.429 1.00 4.15 H new ATOM 0 HA ASP A 26 -10.565 -7.092 10.810 1.00 51.43 H new ATOM 0 HB2 ASP A 26 -10.555 -7.577 8.284 1.00 53.20 H new ATOM 0 HB3 ASP A 26 -8.894 -7.019 8.280 1.00 53.20 H new ATOM 417 N PRO A 27 -8.629 -5.975 12.131 1.00 53.23 N ATOM 418 CA PRO A 27 -7.429 -5.487 12.867 1.00 14.12 C ATOM 419 C PRO A 27 -6.246 -6.469 12.795 1.00 75.20 C ATOM 420 O PRO A 27 -5.091 -6.087 13.026 1.00 71.51 O ATOM 421 CB PRO A 27 -7.954 -5.354 14.318 1.00 31.55 C ATOM 422 CG PRO A 27 -9.029 -6.397 14.422 1.00 44.44 C ATOM 423 CD PRO A 27 -9.712 -6.407 13.071 1.00 41.02 C ATOM 0 HA PRO A 27 -7.033 -4.561 12.450 1.00 14.12 H new ATOM 0 HB2 PRO A 27 -7.161 -5.527 15.045 1.00 31.55 H new ATOM 0 HB3 PRO A 27 -8.349 -4.356 14.508 1.00 31.55 H new ATOM 0 HG2 PRO A 27 -8.607 -7.374 14.656 1.00 44.44 H new ATOM 0 HG3 PRO A 27 -9.735 -6.156 15.217 1.00 44.44 H new ATOM 0 HD2 PRO A 27 -10.091 -7.398 12.820 1.00 41.02 H new ATOM 0 HD3 PRO A 27 -10.562 -5.725 13.045 1.00 41.02 H new ATOM 431 N ASN A 28 -6.560 -7.729 12.467 1.00 15.34 N ATOM 432 CA ASN A 28 -5.604 -8.837 12.474 1.00 2.23 C ATOM 433 C ASN A 28 -4.697 -8.785 11.219 1.00 32.40 C ATOM 434 O ASN A 28 -3.652 -9.446 11.167 1.00 61.32 O ATOM 435 CB ASN A 28 -6.401 -10.160 12.582 1.00 22.03 C ATOM 436 CG ASN A 28 -5.548 -11.394 12.866 1.00 21.34 C ATOM 437 OD1 ASN A 28 -4.487 -11.317 13.484 1.00 14.15 O ATOM 438 ND2 ASN A 28 -6.033 -12.543 12.449 1.00 34.30 N ATOM 0 H ASN A 28 -7.500 -8.008 12.186 1.00 15.34 H new ATOM 0 HA ASN A 28 -4.934 -8.764 13.331 1.00 2.23 H new ATOM 0 HB2 ASN A 28 -7.144 -10.058 13.373 1.00 22.03 H new ATOM 0 HB3 ASN A 28 -6.946 -10.318 11.651 1.00 22.03 H new ATOM 0 HD21 ASN A 28 -5.526 -13.408 12.635 1.00 34.30 H new ATOM 0 HD22 ASN A 28 -6.916 -12.569 11.939 1.00 34.30 H new ATOM 445 N VAL A 29 -5.110 -7.986 10.215 1.00 72.15 N ATOM 446 CA VAL A 29 -4.238 -7.582 9.092 1.00 11.31 C ATOM 447 C VAL A 29 -3.134 -6.627 9.622 1.00 54.24 C ATOM 448 O VAL A 29 -3.430 -5.709 10.402 1.00 71.15 O ATOM 449 CB VAL A 29 -5.068 -6.880 7.948 1.00 32.11 C ATOM 450 CG1 VAL A 29 -4.163 -6.331 6.830 1.00 1.44 C ATOM 451 CG2 VAL A 29 -6.108 -7.846 7.346 1.00 54.53 C ATOM 0 H VAL A 29 -6.054 -7.603 10.159 1.00 72.15 H new ATOM 0 HA VAL A 29 -3.779 -8.474 8.665 1.00 11.31 H new ATOM 0 HB VAL A 29 -5.585 -6.039 8.409 1.00 32.11 H new ATOM 0 HG11 VAL A 29 -4.777 -5.857 6.065 1.00 1.44 H new ATOM 0 HG12 VAL A 29 -3.473 -5.598 7.248 1.00 1.44 H new ATOM 0 HG13 VAL A 29 -3.597 -7.149 6.385 1.00 1.44 H new ATOM 0 HG21 VAL A 29 -6.666 -7.337 6.560 1.00 54.53 H new ATOM 0 HG22 VAL A 29 -5.599 -8.713 6.926 1.00 54.53 H new ATOM 0 HG23 VAL A 29 -6.796 -8.172 8.126 1.00 54.53 H new ATOM 461 N LYS A 30 -1.868 -6.860 9.212 1.00 43.12 N ATOM 462 CA LYS A 30 -0.707 -6.104 9.719 1.00 61.42 C ATOM 463 C LYS A 30 -0.645 -4.699 9.078 1.00 14.03 C ATOM 464 O LYS A 30 -0.349 -4.558 7.886 1.00 50.13 O ATOM 465 CB LYS A 30 0.608 -6.896 9.465 1.00 24.34 C ATOM 466 CG LYS A 30 1.909 -6.178 9.912 1.00 31.33 C ATOM 467 CD LYS A 30 2.011 -5.964 11.441 1.00 74.11 C ATOM 468 CE LYS A 30 3.195 -5.051 11.827 1.00 3.02 C ATOM 469 NZ LYS A 30 4.493 -5.497 11.230 1.00 24.40 N ATOM 0 H LYS A 30 -1.625 -7.573 8.525 1.00 43.12 H new ATOM 0 HA LYS A 30 -0.822 -5.973 10.795 1.00 61.42 H new ATOM 0 HB2 LYS A 30 0.543 -7.852 9.984 1.00 24.34 H new ATOM 0 HB3 LYS A 30 0.681 -7.116 8.400 1.00 24.34 H new ATOM 0 HG2 LYS A 30 2.767 -6.761 9.578 1.00 31.33 H new ATOM 0 HG3 LYS A 30 1.968 -5.210 9.414 1.00 31.33 H new ATOM 0 HD2 LYS A 30 1.083 -5.526 11.807 1.00 74.11 H new ATOM 0 HD3 LYS A 30 2.124 -6.930 11.934 1.00 74.11 H new ATOM 0 HE2 LYS A 30 2.983 -4.032 11.502 1.00 3.02 H new ATOM 0 HE3 LYS A 30 3.290 -5.027 12.913 1.00 3.02 H new ATOM 0 HZ1 LYS A 30 5.248 -5.413 11.940 1.00 24.40 H new ATOM 0 HZ2 LYS A 30 4.413 -6.488 10.925 1.00 24.40 H new ATOM 0 HZ3 LYS A 30 4.721 -4.900 10.410 1.00 24.40 H new ATOM 483 N THR A 31 -0.968 -3.676 9.883 1.00 75.11 N ATOM 484 CA THR A 31 -0.837 -2.267 9.502 1.00 53.41 C ATOM 485 C THR A 31 0.487 -1.701 10.034 1.00 41.41 C ATOM 486 O THR A 31 0.799 -1.845 11.226 1.00 55.21 O ATOM 487 CB THR A 31 -2.022 -1.432 10.069 1.00 21.32 C ATOM 488 OG1 THR A 31 -2.103 -1.591 11.494 1.00 74.21 O ATOM 489 CG2 THR A 31 -3.355 -1.840 9.444 1.00 53.42 C ATOM 0 H THR A 31 -1.331 -3.808 10.827 1.00 75.11 H new ATOM 0 HA THR A 31 -0.850 -2.204 8.414 1.00 53.41 H new ATOM 0 HB THR A 31 -1.831 -0.388 9.819 1.00 21.32 H new ATOM 0 HG1 THR A 31 -2.537 -2.444 11.704 1.00 74.21 H new ATOM 0 HG21 THR A 31 -4.156 -1.233 9.867 1.00 53.42 H new ATOM 0 HG22 THR A 31 -3.314 -1.686 8.366 1.00 53.42 H new ATOM 0 HG23 THR A 31 -3.548 -2.892 9.653 1.00 53.42 H new ATOM 497 N VAL A 32 1.268 -1.061 9.152 1.00 15.05 N ATOM 498 CA VAL A 32 2.591 -0.514 9.504 1.00 2.10 C ATOM 499 C VAL A 32 2.682 0.935 9.026 1.00 40.32 C ATOM 500 O VAL A 32 2.494 1.198 7.848 1.00 61.43 O ATOM 501 CB VAL A 32 3.770 -1.333 8.854 1.00 31.32 C ATOM 502 CG1 VAL A 32 5.121 -0.969 9.515 1.00 62.43 C ATOM 503 CG2 VAL A 32 3.501 -2.850 8.901 1.00 33.11 C ATOM 0 H VAL A 32 1.004 -0.907 8.179 1.00 15.05 H new ATOM 0 HA VAL A 32 2.692 -0.578 10.587 1.00 2.10 H new ATOM 0 HB VAL A 32 3.830 -1.056 7.802 1.00 31.32 H new ATOM 0 HG11 VAL A 32 5.920 -1.546 9.051 1.00 62.43 H new ATOM 0 HG12 VAL A 32 5.317 0.095 9.381 1.00 62.43 H new ATOM 0 HG13 VAL A 32 5.079 -1.199 10.580 1.00 62.43 H new ATOM 0 HG21 VAL A 32 4.335 -3.382 8.444 1.00 33.11 H new ATOM 0 HG22 VAL A 32 3.392 -3.168 9.938 1.00 33.11 H new ATOM 0 HG23 VAL A 32 2.585 -3.074 8.355 1.00 33.11 H new ATOM 513 N ARG A 33 2.989 1.863 9.940 1.00 12.32 N ATOM 514 CA ARG A 33 3.189 3.279 9.599 1.00 13.23 C ATOM 515 C ARG A 33 4.712 3.478 9.516 1.00 72.10 C ATOM 516 O ARG A 33 5.375 3.672 10.545 1.00 54.42 O ATOM 517 CB ARG A 33 2.559 4.245 10.671 1.00 21.43 C ATOM 518 CG ARG A 33 1.094 3.944 11.127 1.00 1.21 C ATOM 519 CD ARG A 33 0.973 2.666 11.997 1.00 53.20 C ATOM 520 NE ARG A 33 -0.283 2.594 12.758 1.00 22.14 N ATOM 521 CZ ARG A 33 -0.869 1.461 13.192 1.00 2.44 C ATOM 522 NH1 ARG A 33 -0.348 0.266 12.924 1.00 2.01 N ATOM 523 NH2 ARG A 33 -1.958 1.537 13.934 1.00 54.53 N ATOM 0 H ARG A 33 3.106 1.657 10.932 1.00 12.32 H new ATOM 0 HA ARG A 33 2.692 3.520 8.659 1.00 13.23 H new ATOM 0 HB2 ARG A 33 3.198 4.233 11.554 1.00 21.43 H new ATOM 0 HB3 ARG A 33 2.587 5.259 10.271 1.00 21.43 H new ATOM 0 HG2 ARG A 33 0.714 4.796 11.690 1.00 1.21 H new ATOM 0 HG3 ARG A 33 0.461 3.837 10.246 1.00 1.21 H new ATOM 0 HD2 ARG A 33 1.050 1.789 11.354 1.00 53.20 H new ATOM 0 HD3 ARG A 33 1.812 2.627 12.691 1.00 53.20 H new ATOM 0 HE ARG A 33 -0.749 3.475 12.975 1.00 22.14 H new ATOM 0 HH11 ARG A 33 0.512 0.195 12.380 1.00 2.01 H new ATOM 0 HH12 ARG A 33 -0.809 -0.579 13.263 1.00 2.01 H new ATOM 0 HH21 ARG A 33 -2.349 2.448 14.174 1.00 54.53 H new ATOM 0 HH22 ARG A 33 -2.409 0.685 14.267 1.00 54.53 H new ATOM 537 N THR A 34 5.269 3.389 8.304 1.00 60.14 N ATOM 538 CA THR A 34 6.727 3.354 8.095 1.00 3.44 C ATOM 539 C THR A 34 7.096 4.105 6.812 1.00 11.14 C ATOM 540 O THR A 34 6.250 4.758 6.204 1.00 31.14 O ATOM 541 CB THR A 34 7.243 1.859 8.047 1.00 20.40 C ATOM 542 OG1 THR A 34 8.687 1.810 8.055 1.00 1.21 O ATOM 543 CG2 THR A 34 6.720 1.086 6.817 1.00 72.23 C ATOM 0 H THR A 34 4.728 3.339 7.441 1.00 60.14 H new ATOM 0 HA THR A 34 7.215 3.851 8.933 1.00 3.44 H new ATOM 0 HB THR A 34 6.850 1.376 8.942 1.00 20.40 H new ATOM 0 HG1 THR A 34 8.994 1.111 7.440 1.00 1.21 H new ATOM 0 HG21 THR A 34 7.106 0.067 6.837 1.00 72.23 H new ATOM 0 HG22 THR A 34 5.630 1.062 6.839 1.00 72.23 H new ATOM 0 HG23 THR A 34 7.054 1.583 5.906 1.00 72.23 H new ATOM 551 N ASP A 35 8.384 4.050 6.469 1.00 3.23 N ATOM 552 CA ASP A 35 8.920 4.484 5.170 1.00 62.30 C ATOM 553 C ASP A 35 10.221 3.711 4.856 1.00 53.43 C ATOM 554 O ASP A 35 10.668 3.670 3.706 1.00 10.41 O ATOM 555 CB ASP A 35 9.173 6.014 5.164 1.00 24.11 C ATOM 556 CG ASP A 35 10.301 6.467 6.112 1.00 61.51 C ATOM 557 OD1 ASP A 35 10.072 6.519 7.336 1.00 4.45 O ATOM 558 OD2 ASP A 35 11.423 6.777 5.636 1.00 74.31 O ATOM 0 H ASP A 35 9.103 3.695 7.099 1.00 3.23 H new ATOM 0 HA ASP A 35 8.186 4.265 4.395 1.00 62.30 H new ATOM 0 HB2 ASP A 35 9.418 6.327 4.149 1.00 24.11 H new ATOM 0 HB3 ASP A 35 8.251 6.525 5.442 1.00 24.11 H new ATOM 563 N ASP A 36 10.795 3.087 5.907 1.00 72.01 N ATOM 564 CA ASP A 36 12.077 2.370 5.862 1.00 33.32 C ATOM 565 C ASP A 36 11.932 1.097 4.999 1.00 31.02 C ATOM 566 O ASP A 36 11.234 0.156 5.393 1.00 43.30 O ATOM 567 CB ASP A 36 12.509 2.041 7.316 1.00 15.40 C ATOM 568 CG ASP A 36 13.931 1.479 7.423 1.00 13.44 C ATOM 569 OD1 ASP A 36 14.906 2.258 7.291 1.00 64.10 O ATOM 570 OD2 ASP A 36 14.083 0.268 7.661 1.00 21.14 O ATOM 0 H ASP A 36 10.364 3.071 6.832 1.00 72.01 H new ATOM 0 HA ASP A 36 12.850 2.986 5.403 1.00 33.32 H new ATOM 0 HB2 ASP A 36 12.439 2.946 7.920 1.00 15.40 H new ATOM 0 HB3 ASP A 36 11.810 1.320 7.739 1.00 15.40 H new ATOM 575 N LYS A 37 12.575 1.107 3.816 1.00 52.04 N ATOM 576 CA LYS A 37 12.387 0.086 2.761 1.00 31.21 C ATOM 577 C LYS A 37 12.730 -1.323 3.250 1.00 22.25 C ATOM 578 O LYS A 37 11.956 -2.258 3.040 1.00 13.33 O ATOM 579 CB LYS A 37 13.210 0.440 1.490 1.00 3.44 C ATOM 580 CG LYS A 37 14.747 0.348 1.600 1.00 51.32 C ATOM 581 CD LYS A 37 15.480 0.964 0.379 1.00 41.53 C ATOM 582 CE LYS A 37 15.480 2.506 0.384 1.00 55.33 C ATOM 583 NZ LYS A 37 16.110 3.069 1.610 1.00 23.21 N ATOM 0 H LYS A 37 13.247 1.831 3.561 1.00 52.04 H new ATOM 0 HA LYS A 37 11.328 0.090 2.502 1.00 31.21 H new ATOM 0 HB2 LYS A 37 12.888 -0.220 0.684 1.00 3.44 H new ATOM 0 HB3 LYS A 37 12.952 1.456 1.192 1.00 3.44 H new ATOM 0 HG2 LYS A 37 15.072 0.858 2.507 1.00 51.32 H new ATOM 0 HG3 LYS A 37 15.037 -0.698 1.701 1.00 51.32 H new ATOM 0 HD2 LYS A 37 16.510 0.607 0.364 1.00 41.53 H new ATOM 0 HD3 LYS A 37 15.007 0.610 -0.537 1.00 41.53 H new ATOM 0 HE2 LYS A 37 16.013 2.870 -0.495 1.00 55.33 H new ATOM 0 HE3 LYS A 37 14.454 2.867 0.307 1.00 55.33 H new ATOM 0 HZ1 LYS A 37 16.348 4.069 1.450 1.00 23.21 H new ATOM 0 HZ2 LYS A 37 15.446 2.995 2.407 1.00 23.21 H new ATOM 0 HZ3 LYS A 37 16.976 2.538 1.830 1.00 23.21 H new ATOM 597 N GLU A 38 13.876 -1.445 3.938 1.00 73.35 N ATOM 598 CA GLU A 38 14.384 -2.729 4.429 1.00 33.54 C ATOM 599 C GLU A 38 13.459 -3.297 5.514 1.00 0.15 C ATOM 600 O GLU A 38 13.257 -4.510 5.562 1.00 5.13 O ATOM 601 CB GLU A 38 15.849 -2.585 4.920 1.00 73.13 C ATOM 602 CG GLU A 38 16.065 -1.480 5.958 1.00 74.12 C ATOM 603 CD GLU A 38 17.498 -1.392 6.487 1.00 73.02 C ATOM 604 OE1 GLU A 38 18.374 -0.874 5.761 1.00 71.21 O ATOM 605 OE2 GLU A 38 17.754 -1.832 7.633 1.00 44.22 O ATOM 0 H GLU A 38 14.475 -0.652 4.168 1.00 73.35 H new ATOM 0 HA GLU A 38 14.390 -3.444 3.607 1.00 33.54 H new ATOM 0 HB2 GLU A 38 16.171 -3.535 5.347 1.00 73.13 H new ATOM 0 HB3 GLU A 38 16.489 -2.389 4.060 1.00 73.13 H new ATOM 0 HG2 GLU A 38 15.793 -0.522 5.515 1.00 74.12 H new ATOM 0 HG3 GLU A 38 15.389 -1.647 6.797 1.00 74.12 H new ATOM 612 N LYS A 39 12.852 -2.400 6.334 1.00 74.22 N ATOM 613 CA LYS A 39 11.845 -2.787 7.340 1.00 45.13 C ATOM 614 C LYS A 39 10.645 -3.475 6.674 1.00 1.31 C ATOM 615 O LYS A 39 10.233 -4.564 7.100 1.00 35.32 O ATOM 616 CB LYS A 39 11.358 -1.565 8.166 1.00 3.25 C ATOM 617 CG LYS A 39 10.244 -1.909 9.181 1.00 4.02 C ATOM 618 CD LYS A 39 9.829 -0.731 10.084 1.00 53.22 C ATOM 619 CE LYS A 39 8.726 -1.135 11.083 1.00 21.12 C ATOM 620 NZ LYS A 39 8.470 -0.078 12.100 1.00 53.32 N ATOM 0 H LYS A 39 13.049 -1.399 6.312 1.00 74.22 H new ATOM 0 HA LYS A 39 12.326 -3.488 8.022 1.00 45.13 H new ATOM 0 HB2 LYS A 39 12.206 -1.137 8.701 1.00 3.25 H new ATOM 0 HB3 LYS A 39 10.992 -0.798 7.483 1.00 3.25 H new ATOM 0 HG2 LYS A 39 9.368 -2.262 8.637 1.00 4.02 H new ATOM 0 HG3 LYS A 39 10.582 -2.733 9.809 1.00 4.02 H new ATOM 0 HD2 LYS A 39 10.699 -0.368 10.631 1.00 53.22 H new ATOM 0 HD3 LYS A 39 9.475 0.094 9.466 1.00 53.22 H new ATOM 0 HE2 LYS A 39 7.805 -1.343 10.539 1.00 21.12 H new ATOM 0 HE3 LYS A 39 9.015 -2.058 11.586 1.00 21.12 H new ATOM 0 HZ1 LYS A 39 7.722 -0.395 12.749 1.00 53.32 H new ATOM 0 HZ2 LYS A 39 9.341 0.104 12.638 1.00 53.32 H new ATOM 0 HZ3 LYS A 39 8.168 0.796 11.624 1.00 53.32 H new ATOM 634 N VAL A 40 10.128 -2.827 5.611 1.00 31.34 N ATOM 635 CA VAL A 40 8.976 -3.330 4.844 1.00 23.13 C ATOM 636 C VAL A 40 9.279 -4.710 4.245 1.00 5.23 C ATOM 637 O VAL A 40 8.494 -5.638 4.390 1.00 2.04 O ATOM 638 CB VAL A 40 8.546 -2.345 3.699 1.00 61.23 C ATOM 639 CG1 VAL A 40 7.312 -2.882 2.934 1.00 35.10 C ATOM 640 CG2 VAL A 40 8.284 -0.928 4.251 1.00 22.14 C ATOM 0 H VAL A 40 10.498 -1.943 5.263 1.00 31.34 H new ATOM 0 HA VAL A 40 8.147 -3.412 5.547 1.00 23.13 H new ATOM 0 HB VAL A 40 9.373 -2.278 2.992 1.00 61.23 H new ATOM 0 HG11 VAL A 40 7.037 -2.179 2.147 1.00 35.10 H new ATOM 0 HG12 VAL A 40 7.551 -3.848 2.490 1.00 35.10 H new ATOM 0 HG13 VAL A 40 6.477 -2.997 3.625 1.00 35.10 H new ATOM 0 HG21 VAL A 40 7.988 -0.269 3.435 1.00 22.14 H new ATOM 0 HG22 VAL A 40 7.486 -0.968 4.993 1.00 22.14 H new ATOM 0 HG23 VAL A 40 9.192 -0.545 4.716 1.00 22.14 H new ATOM 650 N LYS A 41 10.451 -4.825 3.612 1.00 0.04 N ATOM 651 CA LYS A 41 10.899 -6.060 2.940 1.00 45.30 C ATOM 652 C LYS A 41 11.061 -7.238 3.938 1.00 20.41 C ATOM 653 O LYS A 41 10.851 -8.404 3.573 1.00 43.14 O ATOM 654 CB LYS A 41 12.208 -5.763 2.159 1.00 74.13 C ATOM 655 CG LYS A 41 12.031 -4.713 1.027 1.00 63.24 C ATOM 656 CD LYS A 41 13.362 -4.098 0.504 1.00 21.45 C ATOM 657 CE LYS A 41 14.220 -5.043 -0.359 1.00 34.15 C ATOM 658 NZ LYS A 41 14.883 -6.128 0.420 1.00 20.12 N ATOM 0 H LYS A 41 11.124 -4.061 3.548 1.00 0.04 H new ATOM 0 HA LYS A 41 10.134 -6.380 2.232 1.00 45.30 H new ATOM 0 HB2 LYS A 41 12.966 -5.408 2.858 1.00 74.13 H new ATOM 0 HB3 LYS A 41 12.582 -6.691 1.727 1.00 74.13 H new ATOM 0 HG2 LYS A 41 11.509 -5.181 0.192 1.00 63.24 H new ATOM 0 HG3 LYS A 41 11.392 -3.909 1.391 1.00 63.24 H new ATOM 0 HD2 LYS A 41 13.129 -3.208 -0.080 1.00 21.45 H new ATOM 0 HD3 LYS A 41 13.955 -3.772 1.359 1.00 21.45 H new ATOM 0 HE2 LYS A 41 13.590 -5.492 -1.127 1.00 34.15 H new ATOM 0 HE3 LYS A 41 14.983 -4.459 -0.874 1.00 34.15 H new ATOM 0 HZ1 LYS A 41 15.801 -6.354 -0.012 1.00 20.12 H new ATOM 0 HZ2 LYS A 41 15.030 -5.812 1.400 1.00 20.12 H new ATOM 0 HZ3 LYS A 41 14.281 -6.976 0.417 1.00 20.12 H new ATOM 672 N GLU A 42 11.407 -6.916 5.198 1.00 61.32 N ATOM 673 CA GLU A 42 11.534 -7.913 6.284 1.00 64.12 C ATOM 674 C GLU A 42 10.155 -8.386 6.769 1.00 15.41 C ATOM 675 O GLU A 42 9.959 -9.570 7.016 1.00 73.10 O ATOM 676 CB GLU A 42 12.357 -7.338 7.463 1.00 20.14 C ATOM 677 CG GLU A 42 13.848 -7.117 7.151 1.00 23.23 C ATOM 678 CD GLU A 42 14.606 -6.415 8.291 1.00 23.05 C ATOM 679 OE1 GLU A 42 14.566 -5.165 8.365 1.00 11.44 O ATOM 680 OE2 GLU A 42 15.232 -7.110 9.124 1.00 13.55 O ATOM 0 H GLU A 42 11.607 -5.961 5.494 1.00 61.32 H new ATOM 0 HA GLU A 42 12.063 -8.777 5.882 1.00 64.12 H new ATOM 0 HB2 GLU A 42 11.918 -6.388 7.767 1.00 20.14 H new ATOM 0 HB3 GLU A 42 12.273 -8.015 8.313 1.00 20.14 H new ATOM 0 HG2 GLU A 42 14.317 -8.080 6.950 1.00 23.23 H new ATOM 0 HG3 GLU A 42 13.939 -6.522 6.242 1.00 23.23 H new ATOM 687 N GLU A 43 9.200 -7.458 6.918 1.00 70.24 N ATOM 688 CA GLU A 43 7.837 -7.801 7.382 1.00 42.14 C ATOM 689 C GLU A 43 6.983 -8.439 6.274 1.00 74.11 C ATOM 690 O GLU A 43 5.977 -9.093 6.566 1.00 52.41 O ATOM 691 CB GLU A 43 7.151 -6.615 8.086 1.00 65.32 C ATOM 692 CG GLU A 43 6.968 -5.324 7.265 1.00 75.14 C ATOM 693 CD GLU A 43 6.854 -4.054 8.139 1.00 72.22 C ATOM 694 OE1 GLU A 43 6.480 -4.164 9.339 1.00 30.34 O ATOM 695 OE2 GLU A 43 7.138 -2.946 7.637 1.00 45.15 O ATOM 0 H GLU A 43 9.339 -6.466 6.726 1.00 70.24 H new ATOM 0 HA GLU A 43 7.942 -8.574 8.143 1.00 42.14 H new ATOM 0 HB2 GLU A 43 6.168 -6.944 8.423 1.00 65.32 H new ATOM 0 HB3 GLU A 43 7.728 -6.370 8.977 1.00 65.32 H new ATOM 0 HG2 GLU A 43 7.811 -5.213 6.583 1.00 75.14 H new ATOM 0 HG3 GLU A 43 6.072 -5.416 6.651 1.00 75.14 H new ATOM 702 N ILE A 44 7.380 -8.205 5.010 1.00 42.41 N ATOM 703 CA ILE A 44 6.837 -8.924 3.835 1.00 3.22 C ATOM 704 C ILE A 44 7.046 -10.453 3.975 1.00 33.44 C ATOM 705 O ILE A 44 6.128 -11.220 3.668 1.00 74.22 O ATOM 706 CB ILE A 44 7.470 -8.388 2.478 1.00 54.33 C ATOM 707 CG1 ILE A 44 6.848 -7.003 2.080 1.00 33.01 C ATOM 708 CG2 ILE A 44 7.345 -9.404 1.307 1.00 52.32 C ATOM 709 CD1 ILE A 44 7.418 -6.388 0.808 1.00 65.40 C ATOM 0 H ILE A 44 8.088 -7.511 4.770 1.00 42.41 H new ATOM 0 HA ILE A 44 5.765 -8.728 3.798 1.00 3.22 H new ATOM 0 HB ILE A 44 8.536 -8.257 2.665 1.00 54.33 H new ATOM 0 HG12 ILE A 44 5.772 -7.126 1.957 1.00 33.01 H new ATOM 0 HG13 ILE A 44 6.997 -6.304 2.903 1.00 33.01 H new ATOM 0 HG21 ILE A 44 7.795 -8.981 0.409 1.00 52.32 H new ATOM 0 HG22 ILE A 44 7.860 -10.328 1.570 1.00 52.32 H new ATOM 0 HG23 ILE A 44 6.292 -9.616 1.120 1.00 52.32 H new ATOM 0 HD11 ILE A 44 6.928 -5.434 0.614 1.00 65.40 H new ATOM 0 HD12 ILE A 44 8.489 -6.227 0.930 1.00 65.40 H new ATOM 0 HD13 ILE A 44 7.245 -7.062 -0.031 1.00 65.40 H new ATOM 721 N GLU A 45 8.238 -10.896 4.462 1.00 3.55 N ATOM 722 CA GLU A 45 8.532 -12.346 4.636 1.00 41.43 C ATOM 723 C GLU A 45 7.614 -12.960 5.725 1.00 10.22 C ATOM 724 O GLU A 45 7.311 -14.163 5.696 1.00 63.02 O ATOM 725 CB GLU A 45 10.041 -12.621 4.951 1.00 42.12 C ATOM 726 CG GLU A 45 10.434 -12.555 6.450 1.00 14.42 C ATOM 727 CD GLU A 45 11.923 -12.776 6.747 1.00 24.44 C ATOM 728 OE1 GLU A 45 12.773 -12.202 6.038 1.00 3.22 O ATOM 729 OE2 GLU A 45 12.248 -13.513 7.708 1.00 22.21 O ATOM 0 H GLU A 45 9.002 -10.279 4.738 1.00 3.55 H new ATOM 0 HA GLU A 45 8.321 -12.833 3.684 1.00 41.43 H new ATOM 0 HB2 GLU A 45 10.300 -13.609 4.569 1.00 42.12 H new ATOM 0 HB3 GLU A 45 10.646 -11.899 4.403 1.00 42.12 H new ATOM 0 HG2 GLU A 45 10.143 -11.581 6.843 1.00 14.42 H new ATOM 0 HG3 GLU A 45 9.857 -13.303 6.993 1.00 14.42 H new ATOM 736 N LYS A 46 7.207 -12.118 6.694 1.00 72.33 N ATOM 737 CA LYS A 46 6.263 -12.509 7.754 1.00 41.15 C ATOM 738 C LYS A 46 4.836 -12.595 7.171 1.00 23.24 C ATOM 739 O LYS A 46 4.118 -13.551 7.430 1.00 51.42 O ATOM 740 CB LYS A 46 6.305 -11.500 8.946 1.00 34.41 C ATOM 741 CG LYS A 46 7.725 -11.093 9.415 1.00 13.43 C ATOM 742 CD LYS A 46 8.641 -12.292 9.771 1.00 64.22 C ATOM 743 CE LYS A 46 10.058 -11.839 10.183 1.00 71.32 C ATOM 744 NZ LYS A 46 10.988 -12.989 10.355 1.00 73.34 N ATOM 0 H LYS A 46 7.523 -11.151 6.763 1.00 72.33 H new ATOM 0 HA LYS A 46 6.556 -13.487 8.136 1.00 41.15 H new ATOM 0 HB2 LYS A 46 5.763 -10.599 8.658 1.00 34.41 H new ATOM 0 HB3 LYS A 46 5.772 -11.937 9.790 1.00 34.41 H new ATOM 0 HG2 LYS A 46 8.201 -10.506 8.630 1.00 13.43 H new ATOM 0 HG3 LYS A 46 7.636 -10.446 10.287 1.00 13.43 H new ATOM 0 HD2 LYS A 46 8.192 -12.861 10.585 1.00 64.22 H new ATOM 0 HD3 LYS A 46 8.710 -12.962 8.914 1.00 64.22 H new ATOM 0 HE2 LYS A 46 10.456 -11.162 9.427 1.00 71.32 H new ATOM 0 HE3 LYS A 46 10.001 -11.277 11.115 1.00 71.32 H new ATOM 0 HZ1 LYS A 46 11.713 -12.747 11.060 1.00 73.34 H new ATOM 0 HZ2 LYS A 46 10.455 -13.821 10.679 1.00 73.34 H new ATOM 0 HZ3 LYS A 46 11.446 -13.204 9.446 1.00 73.34 H new ATOM 758 N ALA A 47 4.482 -11.596 6.337 1.00 72.12 N ATOM 759 CA ALA A 47 3.118 -11.418 5.783 1.00 41.14 C ATOM 760 C ALA A 47 2.723 -12.546 4.811 1.00 12.23 C ATOM 761 O ALA A 47 1.588 -13.043 4.857 1.00 70.04 O ATOM 762 CB ALA A 47 3.024 -10.058 5.082 1.00 15.44 C ATOM 0 H ALA A 47 5.139 -10.881 6.024 1.00 72.12 H new ATOM 0 HA ALA A 47 2.416 -11.459 6.616 1.00 41.14 H new ATOM 0 HB1 ALA A 47 2.021 -9.927 4.675 1.00 15.44 H new ATOM 0 HB2 ALA A 47 3.231 -9.264 5.799 1.00 15.44 H new ATOM 0 HB3 ALA A 47 3.753 -10.015 4.273 1.00 15.44 H new ATOM 768 N ARG A 48 3.669 -12.933 3.932 1.00 50.53 N ATOM 769 CA ARG A 48 3.489 -14.069 2.991 1.00 15.51 C ATOM 770 C ARG A 48 3.295 -15.387 3.764 1.00 72.51 C ATOM 771 O ARG A 48 2.557 -16.269 3.320 1.00 41.12 O ATOM 772 CB ARG A 48 4.697 -14.178 2.015 1.00 71.35 C ATOM 773 CG ARG A 48 6.065 -14.320 2.709 1.00 63.43 C ATOM 774 CD ARG A 48 7.253 -14.500 1.744 1.00 44.24 C ATOM 775 NE ARG A 48 7.300 -15.850 1.161 1.00 53.33 N ATOM 776 CZ ARG A 48 8.291 -16.328 0.383 1.00 24.33 C ATOM 777 NH1 ARG A 48 9.353 -15.580 0.072 1.00 73.23 N ATOM 778 NH2 ARG A 48 8.193 -17.564 -0.089 1.00 14.32 N ATOM 0 H ARG A 48 4.576 -12.473 3.850 1.00 50.53 H new ATOM 0 HA ARG A 48 2.592 -13.881 2.400 1.00 15.51 H new ATOM 0 HB2 ARG A 48 4.544 -15.037 1.361 1.00 71.35 H new ATOM 0 HB3 ARG A 48 4.716 -13.293 1.379 1.00 71.35 H new ATOM 0 HG2 ARG A 48 6.241 -13.436 3.322 1.00 63.43 H new ATOM 0 HG3 ARG A 48 6.029 -15.174 3.385 1.00 63.43 H new ATOM 0 HD2 ARG A 48 7.183 -13.763 0.944 1.00 44.24 H new ATOM 0 HD3 ARG A 48 8.184 -14.304 2.277 1.00 44.24 H new ATOM 0 HE ARG A 48 6.519 -16.475 1.362 1.00 53.33 H new ATOM 0 HH11 ARG A 48 9.426 -14.626 0.425 1.00 73.23 H new ATOM 0 HH12 ARG A 48 10.091 -15.963 -0.519 1.00 73.23 H new ATOM 0 HH21 ARG A 48 7.378 -18.134 0.139 1.00 14.32 H new ATOM 0 HH22 ARG A 48 8.932 -17.944 -0.680 1.00 14.32 H new ATOM 792 N LYS A 49 3.955 -15.484 4.940 1.00 53.14 N ATOM 793 CA LYS A 49 3.842 -16.643 5.848 1.00 74.12 C ATOM 794 C LYS A 49 2.455 -16.665 6.527 1.00 15.10 C ATOM 795 O LYS A 49 1.854 -17.733 6.681 1.00 4.41 O ATOM 796 CB LYS A 49 4.972 -16.608 6.918 1.00 23.43 C ATOM 797 CG LYS A 49 4.950 -17.794 7.916 1.00 63.51 C ATOM 798 CD LYS A 49 5.970 -17.645 9.070 1.00 74.52 C ATOM 799 CE LYS A 49 5.914 -18.833 10.048 1.00 44.21 C ATOM 800 NZ LYS A 49 6.846 -18.663 11.192 1.00 1.23 N ATOM 0 H LYS A 49 4.582 -14.757 5.285 1.00 53.14 H new ATOM 0 HA LYS A 49 3.952 -17.554 5.260 1.00 74.12 H new ATOM 0 HB2 LYS A 49 5.936 -16.595 6.410 1.00 23.43 H new ATOM 0 HB3 LYS A 49 4.895 -15.676 7.479 1.00 23.43 H new ATOM 0 HG2 LYS A 49 3.948 -17.887 8.336 1.00 63.51 H new ATOM 0 HG3 LYS A 49 5.156 -18.718 7.376 1.00 63.51 H new ATOM 0 HD2 LYS A 49 6.975 -17.563 8.657 1.00 74.52 H new ATOM 0 HD3 LYS A 49 5.772 -16.720 9.612 1.00 74.52 H new ATOM 0 HE2 LYS A 49 4.897 -18.944 10.424 1.00 44.21 H new ATOM 0 HE3 LYS A 49 6.159 -19.752 9.515 1.00 44.21 H new ATOM 0 HZ1 LYS A 49 6.774 -19.486 11.824 1.00 1.23 H new ATOM 0 HZ2 LYS A 49 7.820 -18.583 10.837 1.00 1.23 H new ATOM 0 HZ3 LYS A 49 6.597 -17.801 11.717 1.00 1.23 H new ATOM 814 N GLN A 50 1.953 -15.471 6.917 1.00 61.55 N ATOM 815 CA GLN A 50 0.630 -15.325 7.568 1.00 31.54 C ATOM 816 C GLN A 50 -0.501 -15.599 6.562 1.00 50.15 C ATOM 817 O GLN A 50 -1.591 -16.031 6.945 1.00 43.21 O ATOM 818 CB GLN A 50 0.437 -13.895 8.171 1.00 1.40 C ATOM 819 CG GLN A 50 1.522 -13.439 9.171 1.00 32.34 C ATOM 820 CD GLN A 50 1.746 -14.392 10.354 1.00 75.32 C ATOM 821 OE1 GLN A 50 0.825 -15.064 10.822 1.00 11.11 O ATOM 822 NE2 GLN A 50 2.968 -14.440 10.858 1.00 4.14 N ATOM 0 H GLN A 50 2.448 -14.588 6.791 1.00 61.55 H new ATOM 0 HA GLN A 50 0.591 -16.054 8.377 1.00 31.54 H new ATOM 0 HB2 GLN A 50 0.399 -13.177 7.352 1.00 1.40 H new ATOM 0 HB3 GLN A 50 -0.531 -13.859 8.671 1.00 1.40 H new ATOM 0 HG2 GLN A 50 2.464 -13.320 8.635 1.00 32.34 H new ATOM 0 HG3 GLN A 50 1.250 -12.458 9.559 1.00 32.34 H new ATOM 0 HE21 GLN A 50 3.711 -13.872 10.450 1.00 4.14 H new ATOM 0 HE22 GLN A 50 3.168 -15.045 11.655 1.00 4.14 H new ATOM 831 N GLY A 51 -0.225 -15.307 5.270 1.00 12.14 N ATOM 832 CA GLY A 51 -1.237 -15.369 4.209 1.00 72.11 C ATOM 833 C GLY A 51 -2.120 -14.122 4.157 1.00 73.31 C ATOM 834 O GLY A 51 -2.905 -13.946 3.224 1.00 10.22 O ATOM 0 H GLY A 51 0.699 -15.025 4.943 1.00 12.14 H new ATOM 0 HA2 GLY A 51 -0.741 -15.497 3.247 1.00 72.11 H new ATOM 0 HA3 GLY A 51 -1.865 -16.247 4.363 1.00 72.11 H new ATOM 838 N ARG A 52 -1.980 -13.248 5.165 1.00 23.33 N ATOM 839 CA ARG A 52 -2.765 -12.018 5.288 1.00 64.01 C ATOM 840 C ARG A 52 -2.038 -10.862 4.576 1.00 63.14 C ATOM 841 O ARG A 52 -0.799 -10.835 4.569 1.00 51.52 O ATOM 842 CB ARG A 52 -3.006 -11.685 6.787 1.00 23.52 C ATOM 843 CG ARG A 52 -3.877 -12.720 7.528 1.00 21.33 C ATOM 844 CD ARG A 52 -4.083 -12.371 9.011 1.00 34.25 C ATOM 845 NE ARG A 52 -5.014 -13.307 9.674 1.00 41.44 N ATOM 846 CZ ARG A 52 -4.673 -14.434 10.310 1.00 14.44 C ATOM 847 NH1 ARG A 52 -3.407 -14.820 10.378 1.00 43.24 N ATOM 848 NH2 ARG A 52 -5.612 -15.144 10.913 1.00 44.23 N ATOM 0 H ARG A 52 -1.311 -13.380 5.924 1.00 23.33 H new ATOM 0 HA ARG A 52 -3.735 -12.160 4.812 1.00 64.01 H new ATOM 0 HB2 ARG A 52 -2.043 -11.609 7.291 1.00 23.52 H new ATOM 0 HB3 ARG A 52 -3.482 -10.707 6.859 1.00 23.52 H new ATOM 0 HG2 ARG A 52 -4.848 -12.789 7.037 1.00 21.33 H new ATOM 0 HG3 ARG A 52 -3.410 -13.702 7.452 1.00 21.33 H new ATOM 0 HD2 ARG A 52 -3.122 -12.390 9.525 1.00 34.25 H new ATOM 0 HD3 ARG A 52 -4.469 -11.355 9.094 1.00 34.25 H new ATOM 0 HE ARG A 52 -6.006 -13.073 9.644 1.00 41.44 H new ATOM 0 HH11 ARG A 52 -2.678 -14.256 9.942 1.00 43.24 H new ATOM 0 HH12 ARG A 52 -3.162 -15.681 10.866 1.00 43.24 H new ATOM 0 HH21 ARG A 52 -6.582 -14.831 10.890 1.00 44.23 H new ATOM 0 HH22 ARG A 52 -5.366 -16.005 11.401 1.00 44.23 H new ATOM 862 N PRO A 53 -2.795 -9.911 3.940 1.00 60.42 N ATOM 863 CA PRO A 53 -2.208 -8.717 3.281 1.00 62.42 C ATOM 864 C PRO A 53 -1.365 -7.843 4.234 1.00 21.51 C ATOM 865 O PRO A 53 -1.634 -7.777 5.442 1.00 63.21 O ATOM 866 CB PRO A 53 -3.455 -7.945 2.757 1.00 65.05 C ATOM 867 CG PRO A 53 -4.505 -9.002 2.619 1.00 5.13 C ATOM 868 CD PRO A 53 -4.278 -9.940 3.776 1.00 2.34 C ATOM 0 HA PRO A 53 -1.505 -8.996 2.497 1.00 62.42 H new ATOM 0 HB2 PRO A 53 -3.763 -7.165 3.453 1.00 65.05 H new ATOM 0 HB3 PRO A 53 -3.251 -7.458 1.803 1.00 65.05 H new ATOM 0 HG2 PRO A 53 -5.505 -8.570 2.653 1.00 5.13 H new ATOM 0 HG3 PRO A 53 -4.415 -9.524 1.666 1.00 5.13 H new ATOM 0 HD2 PRO A 53 -4.791 -9.603 4.677 1.00 2.34 H new ATOM 0 HD3 PRO A 53 -4.641 -10.945 3.559 1.00 2.34 H new ATOM 876 N ILE A 54 -0.331 -7.202 3.682 1.00 3.35 N ATOM 877 CA ILE A 54 0.537 -6.274 4.427 1.00 73.12 C ATOM 878 C ILE A 54 0.238 -4.834 3.966 1.00 64.22 C ATOM 879 O ILE A 54 0.419 -4.495 2.788 1.00 32.53 O ATOM 880 CB ILE A 54 2.065 -6.655 4.255 1.00 32.44 C ATOM 881 CG1 ILE A 54 3.019 -5.620 4.938 1.00 41.24 C ATOM 882 CG2 ILE A 54 2.455 -6.883 2.773 1.00 3.11 C ATOM 883 CD1 ILE A 54 2.906 -5.535 6.452 1.00 74.14 C ATOM 0 H ILE A 54 -0.068 -7.310 2.702 1.00 3.35 H new ATOM 0 HA ILE A 54 0.325 -6.348 5.494 1.00 73.12 H new ATOM 0 HB ILE A 54 2.195 -7.605 4.773 1.00 32.44 H new ATOM 0 HG12 ILE A 54 4.047 -5.873 4.680 1.00 41.24 H new ATOM 0 HG13 ILE A 54 2.819 -4.634 4.519 1.00 41.24 H new ATOM 0 HG21 ILE A 54 3.512 -7.141 2.711 1.00 3.11 H new ATOM 0 HG22 ILE A 54 1.858 -7.696 2.361 1.00 3.11 H new ATOM 0 HG23 ILE A 54 2.270 -5.972 2.204 1.00 3.11 H new ATOM 0 HD11 ILE A 54 3.608 -4.790 6.828 1.00 74.14 H new ATOM 0 HD12 ILE A 54 1.891 -5.248 6.726 1.00 74.14 H new ATOM 0 HD13 ILE A 54 3.139 -6.506 6.889 1.00 74.14 H new ATOM 895 N VAL A 55 -0.269 -3.999 4.898 1.00 14.13 N ATOM 896 CA VAL A 55 -0.713 -2.627 4.590 1.00 75.44 C ATOM 897 C VAL A 55 0.342 -1.616 5.072 1.00 63.51 C ATOM 898 O VAL A 55 0.551 -1.458 6.280 1.00 10.13 O ATOM 899 CB VAL A 55 -2.118 -2.291 5.219 1.00 72.50 C ATOM 900 CG1 VAL A 55 -2.741 -1.047 4.548 1.00 33.44 C ATOM 901 CG2 VAL A 55 -3.085 -3.489 5.134 1.00 13.44 C ATOM 0 H VAL A 55 -0.381 -4.257 5.879 1.00 14.13 H new ATOM 0 HA VAL A 55 -0.825 -2.556 3.508 1.00 75.44 H new ATOM 0 HB VAL A 55 -1.953 -2.072 6.274 1.00 72.50 H new ATOM 0 HG11 VAL A 55 -3.710 -0.837 5.000 1.00 33.44 H new ATOM 0 HG12 VAL A 55 -2.082 -0.190 4.687 1.00 33.44 H new ATOM 0 HG13 VAL A 55 -2.871 -1.235 3.482 1.00 33.44 H new ATOM 0 HG21 VAL A 55 -4.042 -3.216 5.578 1.00 13.44 H new ATOM 0 HG22 VAL A 55 -3.235 -3.762 4.090 1.00 13.44 H new ATOM 0 HG23 VAL A 55 -2.663 -4.336 5.674 1.00 13.44 H new ATOM 911 N ILE A 56 1.006 -0.944 4.116 1.00 3.32 N ATOM 912 CA ILE A 56 2.105 -0.001 4.397 1.00 53.04 C ATOM 913 C ILE A 56 1.612 1.449 4.220 1.00 53.44 C ATOM 914 O ILE A 56 1.272 1.867 3.118 1.00 42.31 O ATOM 915 CB ILE A 56 3.340 -0.293 3.461 1.00 50.20 C ATOM 916 CG1 ILE A 56 3.851 -1.758 3.663 1.00 64.34 C ATOM 917 CG2 ILE A 56 4.492 0.723 3.680 1.00 74.13 C ATOM 918 CD1 ILE A 56 4.344 -2.083 5.078 1.00 31.44 C ATOM 0 H ILE A 56 0.796 -1.039 3.122 1.00 3.32 H new ATOM 0 HA ILE A 56 2.428 -0.134 5.429 1.00 53.04 H new ATOM 0 HB ILE A 56 2.999 -0.178 2.432 1.00 50.20 H new ATOM 0 HG12 ILE A 56 3.045 -2.446 3.408 1.00 64.34 H new ATOM 0 HG13 ILE A 56 4.663 -1.944 2.960 1.00 64.34 H new ATOM 0 HG21 ILE A 56 5.321 0.482 3.014 1.00 74.13 H new ATOM 0 HG22 ILE A 56 4.135 1.730 3.465 1.00 74.13 H new ATOM 0 HG23 ILE A 56 4.831 0.671 4.715 1.00 74.13 H new ATOM 0 HD11 ILE A 56 4.677 -3.120 5.118 1.00 31.44 H new ATOM 0 HD12 ILE A 56 5.174 -1.425 5.334 1.00 31.44 H new ATOM 0 HD13 ILE A 56 3.531 -1.935 5.789 1.00 31.44 H new ATOM 930 N PHE A 57 1.577 2.186 5.335 1.00 20.22 N ATOM 931 CA PHE A 57 1.156 3.594 5.390 1.00 73.31 C ATOM 932 C PHE A 57 2.382 4.513 5.286 1.00 10.35 C ATOM 933 O PHE A 57 3.232 4.536 6.186 1.00 12.30 O ATOM 934 CB PHE A 57 0.388 3.868 6.710 1.00 5.14 C ATOM 935 CG PHE A 57 -0.983 3.198 6.760 1.00 32.54 C ATOM 936 CD1 PHE A 57 -1.122 1.853 7.112 1.00 3.15 C ATOM 937 CD2 PHE A 57 -2.132 3.913 6.426 1.00 43.14 C ATOM 938 CE1 PHE A 57 -2.367 1.258 7.128 1.00 0.15 C ATOM 939 CE2 PHE A 57 -3.370 3.313 6.436 1.00 43.52 C ATOM 940 CZ PHE A 57 -3.485 1.990 6.785 1.00 13.52 C ATOM 0 H PHE A 57 1.846 1.814 6.246 1.00 20.22 H new ATOM 0 HA PHE A 57 0.492 3.799 4.550 1.00 73.31 H new ATOM 0 HB2 PHE A 57 0.987 3.518 7.550 1.00 5.14 H new ATOM 0 HB3 PHE A 57 0.264 4.944 6.834 1.00 5.14 H new ATOM 0 HD1 PHE A 57 -0.248 1.275 7.374 1.00 3.15 H new ATOM 0 HD2 PHE A 57 -2.049 4.955 6.155 1.00 43.14 H new ATOM 0 HE1 PHE A 57 -2.466 0.220 7.409 1.00 0.15 H new ATOM 0 HE2 PHE A 57 -4.249 3.881 6.170 1.00 43.52 H new ATOM 0 HZ PHE A 57 -4.457 1.519 6.791 1.00 13.52 H new ATOM 950 N ILE A 58 2.453 5.246 4.169 1.00 3.04 N ATOM 951 CA ILE A 58 3.545 6.188 3.855 1.00 71.13 C ATOM 952 C ILE A 58 2.965 7.505 3.319 1.00 31.30 C ATOM 953 O ILE A 58 1.832 7.542 2.814 1.00 4.00 O ATOM 954 CB ILE A 58 4.513 5.622 2.758 1.00 73.12 C ATOM 955 CG1 ILE A 58 3.697 5.268 1.489 1.00 15.32 C ATOM 956 CG2 ILE A 58 5.331 4.405 3.255 1.00 1.53 C ATOM 957 CD1 ILE A 58 4.535 4.876 0.324 1.00 2.12 C ATOM 0 H ILE A 58 1.741 5.203 3.440 1.00 3.04 H new ATOM 0 HA ILE A 58 4.099 6.345 4.780 1.00 71.13 H new ATOM 0 HB ILE A 58 5.242 6.396 2.519 1.00 73.12 H new ATOM 0 HG12 ILE A 58 3.014 4.452 1.724 1.00 15.32 H new ATOM 0 HG13 ILE A 58 3.085 6.126 1.211 1.00 15.32 H new ATOM 0 HG21 ILE A 58 5.984 4.054 2.456 1.00 1.53 H new ATOM 0 HG22 ILE A 58 5.935 4.699 4.114 1.00 1.53 H new ATOM 0 HG23 ILE A 58 4.651 3.604 3.546 1.00 1.53 H new ATOM 0 HD11 ILE A 58 3.892 4.643 -0.525 1.00 2.12 H new ATOM 0 HD12 ILE A 58 5.200 5.699 0.061 1.00 2.12 H new ATOM 0 HD13 ILE A 58 5.128 3.998 0.581 1.00 2.12 H new ATOM 969 N ARG A 59 3.751 8.580 3.409 1.00 43.44 N ATOM 970 CA ARG A 59 3.395 9.871 2.799 1.00 15.42 C ATOM 971 C ARG A 59 4.033 9.958 1.387 1.00 24.14 C ATOM 972 O ARG A 59 5.010 9.253 1.101 1.00 31.44 O ATOM 973 CB ARG A 59 3.819 11.037 3.742 1.00 62.33 C ATOM 974 CG ARG A 59 3.075 12.363 3.486 1.00 1.02 C ATOM 975 CD ARG A 59 3.383 13.458 4.525 1.00 32.52 C ATOM 976 NE ARG A 59 2.639 14.698 4.217 1.00 43.41 N ATOM 977 CZ ARG A 59 2.365 15.694 5.078 1.00 35.53 C ATOM 978 NH1 ARG A 59 2.768 15.632 6.341 1.00 11.14 N ATOM 979 NH2 ARG A 59 1.650 16.730 4.658 1.00 23.40 N ATOM 0 H ARG A 59 4.645 8.585 3.901 1.00 43.44 H new ATOM 0 HA ARG A 59 2.316 9.956 2.671 1.00 15.42 H new ATOM 0 HB2 ARG A 59 3.650 10.733 4.775 1.00 62.33 H new ATOM 0 HB3 ARG A 59 4.890 11.207 3.631 1.00 62.33 H new ATOM 0 HG2 ARG A 59 3.338 12.731 2.494 1.00 1.02 H new ATOM 0 HG3 ARG A 59 2.002 12.172 3.480 1.00 1.02 H new ATOM 0 HD2 ARG A 59 3.115 13.106 5.521 1.00 32.52 H new ATOM 0 HD3 ARG A 59 4.453 13.664 4.537 1.00 32.52 H new ATOM 0 HE ARG A 59 2.302 14.808 3.261 1.00 43.41 H new ATOM 0 HH11 ARG A 59 3.293 14.821 6.670 1.00 11.14 H new ATOM 0 HH12 ARG A 59 2.553 16.395 6.983 1.00 11.14 H new ATOM 0 HH21 ARG A 59 1.317 16.763 3.695 1.00 23.40 H new ATOM 0 HH22 ARG A 59 1.434 17.494 5.299 1.00 23.40 H new ATOM 993 N GLY A 60 3.472 10.836 0.524 1.00 1.21 N ATOM 994 CA GLY A 60 3.783 10.884 -0.918 1.00 40.24 C ATOM 995 C GLY A 60 5.259 11.103 -1.277 1.00 20.10 C ATOM 996 O GLY A 60 5.691 10.698 -2.363 1.00 54.30 O ATOM 0 H GLY A 60 2.787 11.534 0.813 1.00 1.21 H new ATOM 0 HA2 GLY A 60 3.453 9.950 -1.373 1.00 40.24 H new ATOM 0 HA3 GLY A 60 3.196 11.684 -1.370 1.00 40.24 H new ATOM 1000 N ALA A 61 6.029 11.746 -0.372 1.00 24.21 N ATOM 1001 CA ALA A 61 7.493 11.919 -0.546 1.00 12.15 C ATOM 1002 C ALA A 61 8.207 10.561 -0.502 1.00 15.12 C ATOM 1003 O ALA A 61 9.012 10.229 -1.373 1.00 71.43 O ATOM 1004 CB ALA A 61 8.057 12.832 0.547 1.00 14.41 C ATOM 0 H ALA A 61 5.663 12.155 0.488 1.00 24.21 H new ATOM 0 HA ALA A 61 7.666 12.378 -1.519 1.00 12.15 H new ATOM 0 HB1 ALA A 61 9.131 12.949 0.405 1.00 14.41 H new ATOM 0 HB2 ALA A 61 7.575 13.808 0.490 1.00 14.41 H new ATOM 0 HB3 ALA A 61 7.866 12.390 1.525 1.00 14.41 H new ATOM 1010 N TYR A 62 7.859 9.786 0.530 1.00 45.51 N ATOM 1011 CA TYR A 62 8.434 8.464 0.813 1.00 62.44 C ATOM 1012 C TYR A 62 8.102 7.437 -0.282 1.00 2.40 C ATOM 1013 O TYR A 62 8.832 6.464 -0.457 1.00 13.03 O ATOM 1014 CB TYR A 62 7.957 7.980 2.197 1.00 54.04 C ATOM 1015 CG TYR A 62 8.293 8.975 3.326 1.00 71.31 C ATOM 1016 CD1 TYR A 62 9.620 9.221 3.695 1.00 52.24 C ATOM 1017 CD2 TYR A 62 7.295 9.682 4.003 1.00 63.23 C ATOM 1018 CE1 TYR A 62 9.929 10.119 4.701 1.00 24.00 C ATOM 1019 CE2 TYR A 62 7.604 10.583 5.005 1.00 32.12 C ATOM 1020 CZ TYR A 62 8.922 10.797 5.348 1.00 72.24 C ATOM 1021 OH TYR A 62 9.227 11.694 6.347 1.00 71.25 O ATOM 0 H TYR A 62 7.152 10.066 1.210 1.00 45.51 H new ATOM 0 HA TYR A 62 9.520 8.561 0.822 1.00 62.44 H new ATOM 0 HB2 TYR A 62 6.879 7.819 2.169 1.00 54.04 H new ATOM 0 HB3 TYR A 62 8.417 7.017 2.419 1.00 54.04 H new ATOM 0 HD1 TYR A 62 10.417 8.701 3.185 1.00 52.24 H new ATOM 0 HD2 TYR A 62 6.261 9.521 3.738 1.00 63.23 H new ATOM 0 HE1 TYR A 62 10.959 10.287 4.978 1.00 24.00 H new ATOM 0 HE2 TYR A 62 6.817 11.117 5.517 1.00 32.12 H new ATOM 0 HH TYR A 62 8.400 12.086 6.698 1.00 71.25 H new ATOM 1031 N GLU A 63 6.973 7.661 -0.973 1.00 52.03 N ATOM 1032 CA GLU A 63 6.418 6.747 -1.985 1.00 61.23 C ATOM 1033 C GLU A 63 7.404 6.352 -3.107 1.00 13.35 C ATOM 1034 O GLU A 63 7.284 5.255 -3.653 1.00 30.10 O ATOM 1035 CB GLU A 63 5.130 7.334 -2.588 1.00 25.50 C ATOM 1036 CG GLU A 63 4.374 6.356 -3.514 1.00 10.33 C ATOM 1037 CD GLU A 63 3.267 7.020 -4.319 1.00 54.54 C ATOM 1038 OE1 GLU A 63 3.563 7.929 -5.122 1.00 20.44 O ATOM 1039 OE2 GLU A 63 2.098 6.653 -4.148 1.00 63.33 O ATOM 0 H GLU A 63 6.408 8.500 -0.841 1.00 52.03 H new ATOM 0 HA GLU A 63 6.198 5.822 -1.452 1.00 61.23 H new ATOM 0 HB2 GLU A 63 4.467 7.639 -1.778 1.00 25.50 H new ATOM 0 HB3 GLU A 63 5.380 8.233 -3.151 1.00 25.50 H new ATOM 0 HG2 GLU A 63 5.084 5.894 -4.199 1.00 10.33 H new ATOM 0 HG3 GLU A 63 3.945 5.555 -2.912 1.00 10.33 H new ATOM 1046 N GLU A 64 8.384 7.219 -3.424 1.00 23.44 N ATOM 1047 CA GLU A 64 9.420 6.923 -4.456 1.00 63.11 C ATOM 1048 C GLU A 64 10.119 5.559 -4.189 1.00 22.42 C ATOM 1049 O GLU A 64 10.438 4.812 -5.121 1.00 42.13 O ATOM 1050 CB GLU A 64 10.471 8.064 -4.494 1.00 62.02 C ATOM 1051 CG GLU A 64 11.135 8.356 -3.127 1.00 63.24 C ATOM 1052 CD GLU A 64 12.290 9.362 -3.198 1.00 51.35 C ATOM 1053 OE1 GLU A 64 12.061 10.512 -3.631 1.00 23.13 O ATOM 1054 OE2 GLU A 64 13.423 9.017 -2.793 1.00 15.22 O ATOM 0 H GLU A 64 8.488 8.134 -2.985 1.00 23.44 H new ATOM 0 HA GLU A 64 8.922 6.857 -5.423 1.00 63.11 H new ATOM 0 HB2 GLU A 64 11.247 7.805 -5.215 1.00 62.02 H new ATOM 0 HB3 GLU A 64 9.991 8.974 -4.855 1.00 62.02 H new ATOM 0 HG2 GLU A 64 10.378 8.735 -2.440 1.00 63.24 H new ATOM 0 HG3 GLU A 64 11.506 7.421 -2.708 1.00 63.24 H new ATOM 1061 N VAL A 65 10.251 5.240 -2.897 1.00 11.30 N ATOM 1062 CA VAL A 65 10.928 4.043 -2.390 1.00 13.21 C ATOM 1063 C VAL A 65 10.146 2.741 -2.702 1.00 64.12 C ATOM 1064 O VAL A 65 10.755 1.676 -2.848 1.00 11.11 O ATOM 1065 CB VAL A 65 11.139 4.191 -0.846 1.00 74.21 C ATOM 1066 CG1 VAL A 65 11.831 2.977 -0.243 1.00 1.01 C ATOM 1067 CG2 VAL A 65 11.906 5.491 -0.510 1.00 73.24 C ATOM 0 H VAL A 65 9.877 5.827 -2.152 1.00 11.30 H new ATOM 0 HA VAL A 65 11.889 3.960 -2.898 1.00 13.21 H new ATOM 0 HB VAL A 65 10.149 4.254 -0.394 1.00 74.21 H new ATOM 0 HG11 VAL A 65 11.956 3.125 0.830 1.00 1.01 H new ATOM 0 HG12 VAL A 65 11.225 2.088 -0.419 1.00 1.01 H new ATOM 0 HG13 VAL A 65 12.808 2.847 -0.708 1.00 1.01 H new ATOM 0 HG21 VAL A 65 12.038 5.567 0.569 1.00 73.24 H new ATOM 0 HG22 VAL A 65 12.882 5.473 -0.994 1.00 73.24 H new ATOM 0 HG23 VAL A 65 11.339 6.351 -0.868 1.00 73.24 H new ATOM 1077 N VAL A 66 8.805 2.847 -2.809 1.00 22.12 N ATOM 1078 CA VAL A 66 7.904 1.685 -3.006 1.00 20.42 C ATOM 1079 C VAL A 66 8.310 0.828 -4.214 1.00 74.52 C ATOM 1080 O VAL A 66 8.162 -0.368 -4.166 1.00 44.44 O ATOM 1081 CB VAL A 66 6.405 2.140 -3.138 1.00 35.21 C ATOM 1082 CG1 VAL A 66 5.434 0.968 -3.415 1.00 21.13 C ATOM 1083 CG2 VAL A 66 5.985 2.876 -1.871 1.00 2.34 C ATOM 0 H VAL A 66 8.313 3.739 -2.762 1.00 22.12 H new ATOM 0 HA VAL A 66 8.003 1.064 -2.116 1.00 20.42 H new ATOM 0 HB VAL A 66 6.346 2.802 -4.002 1.00 35.21 H new ATOM 0 HG11 VAL A 66 4.416 1.350 -3.495 1.00 21.13 H new ATOM 0 HG12 VAL A 66 5.712 0.478 -4.348 1.00 21.13 H new ATOM 0 HG13 VAL A 66 5.489 0.249 -2.597 1.00 21.13 H new ATOM 0 HG21 VAL A 66 4.946 3.192 -1.961 1.00 2.34 H new ATOM 0 HG22 VAL A 66 6.089 2.212 -1.013 1.00 2.34 H new ATOM 0 HG23 VAL A 66 6.620 3.751 -1.731 1.00 2.34 H new ATOM 1093 N ARG A 67 8.863 1.460 -5.257 1.00 21.04 N ATOM 1094 CA ARG A 67 9.350 0.761 -6.474 1.00 25.23 C ATOM 1095 C ARG A 67 10.388 -0.356 -6.137 1.00 73.31 C ATOM 1096 O ARG A 67 10.397 -1.415 -6.773 1.00 63.40 O ATOM 1097 CB ARG A 67 9.961 1.800 -7.433 1.00 21.22 C ATOM 1098 CG ARG A 67 10.459 1.257 -8.790 1.00 0.12 C ATOM 1099 CD ARG A 67 11.167 2.353 -9.611 1.00 51.51 C ATOM 1100 NE ARG A 67 12.288 2.951 -8.858 1.00 23.12 N ATOM 1101 CZ ARG A 67 13.179 3.839 -9.339 1.00 42.20 C ATOM 1102 NH1 ARG A 67 13.120 4.267 -10.600 1.00 42.30 N ATOM 1103 NH2 ARG A 67 14.131 4.291 -8.541 1.00 62.15 N ATOM 0 H ARG A 67 8.990 2.472 -5.290 1.00 21.04 H new ATOM 0 HA ARG A 67 8.504 0.265 -6.950 1.00 25.23 H new ATOM 0 HB2 ARG A 67 9.215 2.572 -7.624 1.00 21.22 H new ATOM 0 HB3 ARG A 67 10.797 2.283 -6.928 1.00 21.22 H new ATOM 0 HG2 ARG A 67 11.145 0.427 -8.621 1.00 0.12 H new ATOM 0 HG3 ARG A 67 9.616 0.863 -9.357 1.00 0.12 H new ATOM 0 HD2 ARG A 67 11.539 1.928 -10.543 1.00 51.51 H new ATOM 0 HD3 ARG A 67 10.450 3.130 -9.878 1.00 51.51 H new ATOM 0 HE ARG A 67 12.397 2.665 -7.885 1.00 23.12 H new ATOM 0 HH11 ARG A 67 12.389 3.922 -11.222 1.00 42.30 H new ATOM 0 HH12 ARG A 67 13.806 4.940 -10.943 1.00 42.30 H new ATOM 0 HH21 ARG A 67 14.184 3.967 -7.575 1.00 62.15 H new ATOM 0 HH22 ARG A 67 14.813 4.964 -8.891 1.00 62.15 H new ATOM 1117 N ASP A 68 11.235 -0.093 -5.118 1.00 63.21 N ATOM 1118 CA ASP A 68 12.231 -1.068 -4.582 1.00 70.31 C ATOM 1119 C ASP A 68 11.517 -2.237 -3.869 1.00 63.42 C ATOM 1120 O ASP A 68 11.869 -3.412 -4.038 1.00 74.43 O ATOM 1121 CB ASP A 68 13.197 -0.337 -3.601 1.00 24.21 C ATOM 1122 CG ASP A 68 14.259 -1.255 -2.966 1.00 42.31 C ATOM 1123 OD1 ASP A 68 15.240 -1.607 -3.659 1.00 75.11 O ATOM 1124 OD2 ASP A 68 14.126 -1.619 -1.773 1.00 22.54 O ATOM 0 H ASP A 68 11.253 0.806 -4.636 1.00 63.21 H new ATOM 0 HA ASP A 68 12.807 -1.481 -5.410 1.00 70.31 H new ATOM 0 HB2 ASP A 68 13.701 0.468 -4.136 1.00 24.21 H new ATOM 0 HB3 ASP A 68 12.610 0.126 -2.807 1.00 24.21 H new ATOM 1129 N ILE A 69 10.495 -1.864 -3.091 1.00 15.11 N ATOM 1130 CA ILE A 69 9.644 -2.789 -2.321 1.00 63.12 C ATOM 1131 C ILE A 69 8.785 -3.666 -3.269 1.00 64.22 C ATOM 1132 O ILE A 69 8.536 -4.845 -2.993 1.00 45.42 O ATOM 1133 CB ILE A 69 8.727 -1.954 -1.346 1.00 10.45 C ATOM 1134 CG1 ILE A 69 9.604 -1.085 -0.374 1.00 71.52 C ATOM 1135 CG2 ILE A 69 7.736 -2.857 -0.569 1.00 12.14 C ATOM 1136 CD1 ILE A 69 8.820 -0.094 0.476 1.00 0.23 C ATOM 0 H ILE A 69 10.227 -0.887 -2.974 1.00 15.11 H new ATOM 0 HA ILE A 69 10.276 -3.459 -1.737 1.00 63.12 H new ATOM 0 HB ILE A 69 8.123 -1.279 -1.952 1.00 10.45 H new ATOM 0 HG12 ILE A 69 10.158 -1.751 0.287 1.00 71.52 H new ATOM 0 HG13 ILE A 69 10.339 -0.536 -0.963 1.00 71.52 H new ATOM 0 HG21 ILE A 69 7.124 -2.242 0.091 1.00 12.14 H new ATOM 0 HG22 ILE A 69 7.093 -3.383 -1.275 1.00 12.14 H new ATOM 0 HG23 ILE A 69 8.293 -3.582 0.024 1.00 12.14 H new ATOM 0 HD11 ILE A 69 9.507 0.461 1.115 1.00 0.23 H new ATOM 0 HD12 ILE A 69 8.287 0.601 -0.173 1.00 0.23 H new ATOM 0 HD13 ILE A 69 8.104 -0.633 1.096 1.00 0.23 H new ATOM 1148 N VAL A 70 8.366 -3.065 -4.399 1.00 11.13 N ATOM 1149 CA VAL A 70 7.544 -3.714 -5.429 1.00 54.20 C ATOM 1150 C VAL A 70 8.394 -4.728 -6.200 1.00 35.04 C ATOM 1151 O VAL A 70 7.945 -5.844 -6.462 1.00 61.31 O ATOM 1152 CB VAL A 70 6.930 -2.651 -6.424 1.00 41.44 C ATOM 1153 CG1 VAL A 70 6.311 -3.311 -7.669 1.00 61.45 C ATOM 1154 CG2 VAL A 70 5.880 -1.773 -5.712 1.00 11.34 C ATOM 0 H VAL A 70 8.596 -2.097 -4.622 1.00 11.13 H new ATOM 0 HA VAL A 70 6.718 -4.229 -4.938 1.00 54.20 H new ATOM 0 HB VAL A 70 7.753 -2.020 -6.759 1.00 41.44 H new ATOM 0 HG11 VAL A 70 5.902 -2.541 -8.323 1.00 61.45 H new ATOM 0 HG12 VAL A 70 7.078 -3.871 -8.203 1.00 61.45 H new ATOM 0 HG13 VAL A 70 5.514 -3.989 -7.363 1.00 61.45 H new ATOM 0 HG21 VAL A 70 5.472 -1.049 -6.418 1.00 11.34 H new ATOM 0 HG22 VAL A 70 5.076 -2.403 -5.333 1.00 11.34 H new ATOM 0 HG23 VAL A 70 6.350 -1.245 -4.882 1.00 11.34 H new ATOM 1164 N GLU A 71 9.629 -4.310 -6.545 1.00 65.22 N ATOM 1165 CA GLU A 71 10.616 -5.164 -7.230 1.00 50.31 C ATOM 1166 C GLU A 71 10.879 -6.430 -6.399 1.00 53.15 C ATOM 1167 O GLU A 71 10.869 -7.550 -6.925 1.00 52.14 O ATOM 1168 CB GLU A 71 11.945 -4.390 -7.449 1.00 21.12 C ATOM 1169 CG GLU A 71 12.994 -5.140 -8.306 1.00 24.11 C ATOM 1170 CD GLU A 71 14.428 -4.604 -8.132 1.00 71.40 C ATOM 1171 OE1 GLU A 71 14.636 -3.384 -8.258 1.00 1.01 O ATOM 1172 OE2 GLU A 71 15.351 -5.404 -7.854 1.00 3.31 O ATOM 0 H GLU A 71 9.969 -3.367 -6.355 1.00 65.22 H new ATOM 0 HA GLU A 71 10.214 -5.450 -8.202 1.00 50.31 H new ATOM 0 HB2 GLU A 71 11.720 -3.436 -7.926 1.00 21.12 H new ATOM 0 HB3 GLU A 71 12.383 -4.165 -6.477 1.00 21.12 H new ATOM 0 HG2 GLU A 71 12.976 -6.198 -8.044 1.00 24.11 H new ATOM 0 HG3 GLU A 71 12.712 -5.067 -9.356 1.00 24.11 H new ATOM 1179 N TYR A 72 11.067 -6.215 -5.085 1.00 24.11 N ATOM 1180 CA TYR A 72 11.256 -7.287 -4.098 1.00 24.43 C ATOM 1181 C TYR A 72 10.019 -8.193 -4.017 1.00 2.30 C ATOM 1182 O TYR A 72 10.147 -9.413 -3.980 1.00 71.33 O ATOM 1183 CB TYR A 72 11.585 -6.690 -2.706 1.00 24.32 C ATOM 1184 CG TYR A 72 11.660 -7.739 -1.579 1.00 4.35 C ATOM 1185 CD1 TYR A 72 12.752 -8.607 -1.461 1.00 51.24 C ATOM 1186 CD2 TYR A 72 10.627 -7.879 -0.649 1.00 34.31 C ATOM 1187 CE1 TYR A 72 12.802 -9.565 -0.466 1.00 24.21 C ATOM 1188 CE2 TYR A 72 10.683 -8.829 0.346 1.00 64.54 C ATOM 1189 CZ TYR A 72 11.768 -9.671 0.436 1.00 71.44 C ATOM 1190 OH TYR A 72 11.811 -10.632 1.428 1.00 21.45 O ATOM 0 H TYR A 72 11.092 -5.281 -4.676 1.00 24.11 H new ATOM 0 HA TYR A 72 12.098 -7.899 -4.423 1.00 24.43 H new ATOM 0 HB2 TYR A 72 12.538 -6.164 -2.763 1.00 24.32 H new ATOM 0 HB3 TYR A 72 10.827 -5.950 -2.450 1.00 24.32 H new ATOM 0 HD1 TYR A 72 13.571 -8.527 -2.161 1.00 51.24 H new ATOM 0 HD2 TYR A 72 9.767 -7.229 -0.712 1.00 34.31 H new ATOM 0 HE1 TYR A 72 13.651 -10.229 -0.396 1.00 24.21 H new ATOM 0 HE2 TYR A 72 9.874 -8.914 1.057 1.00 64.54 H new ATOM 0 HH TYR A 72 11.132 -11.316 1.250 1.00 21.45 H new ATOM 1200 N ALA A 73 8.829 -7.578 -3.999 1.00 4.33 N ATOM 1201 CA ALA A 73 7.550 -8.307 -3.932 1.00 12.44 C ATOM 1202 C ALA A 73 7.322 -9.156 -5.201 1.00 41.15 C ATOM 1203 O ALA A 73 6.654 -10.190 -5.148 1.00 53.43 O ATOM 1204 CB ALA A 73 6.395 -7.336 -3.698 1.00 22.10 C ATOM 0 H ALA A 73 8.723 -6.564 -4.030 1.00 4.33 H new ATOM 0 HA ALA A 73 7.593 -8.994 -3.087 1.00 12.44 H new ATOM 0 HB1 ALA A 73 5.458 -7.890 -3.651 1.00 22.10 H new ATOM 0 HB2 ALA A 73 6.550 -6.805 -2.759 1.00 22.10 H new ATOM 0 HB3 ALA A 73 6.351 -6.618 -4.517 1.00 22.10 H new ATOM 1210 N GLN A 74 7.875 -8.691 -6.340 1.00 32.44 N ATOM 1211 CA GLN A 74 7.860 -9.444 -7.610 1.00 61.43 C ATOM 1212 C GLN A 74 8.802 -10.667 -7.529 1.00 63.43 C ATOM 1213 O GLN A 74 8.515 -11.708 -8.134 1.00 71.14 O ATOM 1214 CB GLN A 74 8.268 -8.537 -8.807 1.00 22.30 C ATOM 1215 CG GLN A 74 7.262 -7.421 -9.169 1.00 1.24 C ATOM 1216 CD GLN A 74 7.718 -6.559 -10.360 1.00 0.43 C ATOM 1217 OE1 GLN A 74 8.422 -7.029 -11.256 1.00 63.11 O ATOM 1218 NE2 GLN A 74 7.309 -5.301 -10.391 1.00 61.02 N ATOM 0 H GLN A 74 8.343 -7.787 -6.405 1.00 32.44 H new ATOM 0 HA GLN A 74 6.841 -9.793 -7.776 1.00 61.43 H new ATOM 0 HB2 GLN A 74 9.229 -8.076 -8.580 1.00 22.30 H new ATOM 0 HB3 GLN A 74 8.416 -9.167 -9.684 1.00 22.30 H new ATOM 0 HG2 GLN A 74 6.297 -7.872 -9.403 1.00 1.24 H new ATOM 0 HG3 GLN A 74 7.112 -6.780 -8.300 1.00 1.24 H new ATOM 0 HE21 GLN A 74 6.727 -4.935 -9.637 1.00 61.02 H new ATOM 0 HE22 GLN A 74 7.576 -4.697 -11.168 1.00 61.02 H new ATOM 1227 N LYS A 75 9.933 -10.526 -6.791 1.00 22.04 N ATOM 1228 CA LYS A 75 10.859 -11.659 -6.511 1.00 44.13 C ATOM 1229 C LYS A 75 10.115 -12.720 -5.671 1.00 3.13 C ATOM 1230 O LYS A 75 10.217 -13.922 -5.923 1.00 34.41 O ATOM 1231 CB LYS A 75 12.138 -11.199 -5.735 1.00 61.43 C ATOM 1232 CG LYS A 75 12.850 -9.950 -6.293 1.00 11.23 C ATOM 1233 CD LYS A 75 13.410 -10.121 -7.722 1.00 31.14 C ATOM 1234 CE LYS A 75 14.050 -8.824 -8.249 1.00 71.34 C ATOM 1235 NZ LYS A 75 14.640 -8.995 -9.601 1.00 34.50 N ATOM 0 H LYS A 75 10.227 -9.641 -6.379 1.00 22.04 H new ATOM 0 HA LYS A 75 11.180 -12.071 -7.467 1.00 44.13 H new ATOM 0 HB2 LYS A 75 11.860 -11.003 -4.699 1.00 61.43 H new ATOM 0 HB3 LYS A 75 12.849 -12.025 -5.724 1.00 61.43 H new ATOM 0 HG2 LYS A 75 12.150 -9.115 -6.288 1.00 11.23 H new ATOM 0 HG3 LYS A 75 13.669 -9.684 -5.624 1.00 11.23 H new ATOM 0 HD2 LYS A 75 14.152 -10.920 -7.728 1.00 31.14 H new ATOM 0 HD3 LYS A 75 12.607 -10.427 -8.392 1.00 31.14 H new ATOM 0 HE2 LYS A 75 13.297 -8.037 -8.281 1.00 71.34 H new ATOM 0 HE3 LYS A 75 14.825 -8.496 -7.556 1.00 71.34 H new ATOM 0 HZ1 LYS A 75 15.059 -8.096 -9.913 1.00 34.50 H new ATOM 0 HZ2 LYS A 75 15.378 -9.727 -9.568 1.00 34.50 H new ATOM 0 HZ3 LYS A 75 13.897 -9.282 -10.270 1.00 34.50 H new ATOM 1249 N GLU A 76 9.354 -12.217 -4.680 1.00 53.14 N ATOM 1250 CA GLU A 76 8.540 -13.033 -3.764 1.00 45.33 C ATOM 1251 C GLU A 76 7.384 -13.733 -4.508 1.00 20.22 C ATOM 1252 O GLU A 76 7.023 -14.869 -4.180 1.00 24.34 O ATOM 1253 CB GLU A 76 7.970 -12.130 -2.632 1.00 64.14 C ATOM 1254 CG GLU A 76 9.027 -11.441 -1.740 1.00 23.13 C ATOM 1255 CD GLU A 76 9.815 -12.407 -0.836 1.00 21.31 C ATOM 1256 OE1 GLU A 76 10.773 -13.054 -1.315 1.00 64.42 O ATOM 1257 OE2 GLU A 76 9.491 -12.513 0.369 1.00 3.21 O ATOM 0 H GLU A 76 9.288 -11.217 -4.492 1.00 53.14 H new ATOM 0 HA GLU A 76 9.179 -13.806 -3.336 1.00 45.33 H new ATOM 0 HB2 GLU A 76 7.344 -11.361 -3.084 1.00 64.14 H new ATOM 0 HB3 GLU A 76 7.323 -12.736 -1.998 1.00 64.14 H new ATOM 0 HG2 GLU A 76 9.729 -10.903 -2.377 1.00 23.13 H new ATOM 0 HG3 GLU A 76 8.531 -10.699 -1.115 1.00 23.13 H new ATOM 1264 N GLY A 77 6.822 -13.035 -5.508 1.00 72.44 N ATOM 1265 CA GLY A 77 5.653 -13.513 -6.254 1.00 43.14 C ATOM 1266 C GLY A 77 4.331 -13.102 -5.607 1.00 23.40 C ATOM 1267 O GLY A 77 3.300 -13.756 -5.805 1.00 11.22 O ATOM 0 H GLY A 77 7.166 -12.127 -5.819 1.00 72.44 H new ATOM 0 HA2 GLY A 77 5.692 -13.123 -7.271 1.00 43.14 H new ATOM 0 HA3 GLY A 77 5.694 -14.600 -6.328 1.00 43.14 H new ATOM 1271 N LEU A 78 4.373 -12.016 -4.815 1.00 22.34 N ATOM 1272 CA LEU A 78 3.194 -11.450 -4.135 1.00 71.41 C ATOM 1273 C LEU A 78 2.480 -10.447 -5.051 1.00 74.44 C ATOM 1274 O LEU A 78 3.141 -9.676 -5.750 1.00 25.11 O ATOM 1275 CB LEU A 78 3.635 -10.751 -2.822 1.00 52.34 C ATOM 1276 CG LEU A 78 4.272 -11.678 -1.741 1.00 11.42 C ATOM 1277 CD1 LEU A 78 4.760 -10.867 -0.534 1.00 4.34 C ATOM 1278 CD2 LEU A 78 3.284 -12.781 -1.309 1.00 2.03 C ATOM 0 H LEU A 78 5.234 -11.502 -4.627 1.00 22.34 H new ATOM 0 HA LEU A 78 2.501 -12.257 -3.898 1.00 71.41 H new ATOM 0 HB2 LEU A 78 4.352 -9.969 -3.072 1.00 52.34 H new ATOM 0 HB3 LEU A 78 2.766 -10.258 -2.385 1.00 52.34 H new ATOM 0 HG LEU A 78 5.141 -12.163 -2.186 1.00 11.42 H new ATOM 0 HD11 LEU A 78 5.199 -11.540 0.203 1.00 4.34 H new ATOM 0 HD12 LEU A 78 5.510 -10.146 -0.859 1.00 4.34 H new ATOM 0 HD13 LEU A 78 3.918 -10.338 -0.087 1.00 4.34 H new ATOM 0 HD21 LEU A 78 3.752 -13.414 -0.555 1.00 2.03 H new ATOM 0 HD22 LEU A 78 2.387 -12.323 -0.892 1.00 2.03 H new ATOM 0 HD23 LEU A 78 3.014 -13.387 -2.174 1.00 2.03 H new ATOM 1290 N ARG A 79 1.134 -10.460 -5.028 1.00 41.31 N ATOM 1291 CA ARG A 79 0.302 -9.530 -5.815 1.00 21.51 C ATOM 1292 C ARG A 79 0.418 -8.120 -5.188 1.00 43.24 C ATOM 1293 O ARG A 79 0.095 -7.945 -4.012 1.00 30.43 O ATOM 1294 CB ARG A 79 -1.183 -10.031 -5.842 1.00 55.45 C ATOM 1295 CG ARG A 79 -1.994 -9.688 -7.121 1.00 32.30 C ATOM 1296 CD ARG A 79 -2.187 -8.177 -7.383 1.00 11.43 C ATOM 1297 NE ARG A 79 -2.987 -7.952 -8.597 1.00 11.34 N ATOM 1298 CZ ARG A 79 -2.819 -6.967 -9.492 1.00 23.30 C ATOM 1299 NH1 ARG A 79 -1.860 -6.050 -9.349 1.00 74.40 N ATOM 1300 NH2 ARG A 79 -3.621 -6.918 -10.538 1.00 62.30 N ATOM 0 H ARG A 79 0.593 -11.115 -4.464 1.00 41.31 H new ATOM 0 HA ARG A 79 0.648 -9.486 -6.848 1.00 21.51 H new ATOM 0 HB2 ARG A 79 -1.183 -11.114 -5.715 1.00 55.45 H new ATOM 0 HB3 ARG A 79 -1.703 -9.610 -4.982 1.00 55.45 H new ATOM 0 HG2 ARG A 79 -1.492 -10.130 -7.982 1.00 32.30 H new ATOM 0 HG3 ARG A 79 -2.975 -10.158 -7.049 1.00 32.30 H new ATOM 0 HD2 ARG A 79 -2.680 -7.716 -6.527 1.00 11.43 H new ATOM 0 HD3 ARG A 79 -1.215 -7.695 -7.489 1.00 11.43 H new ATOM 0 HE ARG A 79 -3.745 -8.611 -8.776 1.00 11.34 H new ATOM 0 HH11 ARG A 79 -1.234 -6.088 -8.545 1.00 74.40 H new ATOM 0 HH12 ARG A 79 -1.753 -5.311 -10.044 1.00 74.40 H new ATOM 0 HH21 ARG A 79 -4.351 -7.621 -10.654 1.00 62.30 H new ATOM 0 HH22 ARG A 79 -3.511 -6.178 -11.231 1.00 62.30 H new ATOM 1314 N VAL A 80 0.870 -7.133 -5.979 1.00 64.05 N ATOM 1315 CA VAL A 80 1.170 -5.780 -5.486 1.00 73.54 C ATOM 1316 C VAL A 80 0.094 -4.807 -5.989 1.00 25.35 C ATOM 1317 O VAL A 80 -0.233 -4.798 -7.186 1.00 61.03 O ATOM 1318 CB VAL A 80 2.588 -5.274 -5.957 1.00 13.53 C ATOM 1319 CG1 VAL A 80 2.980 -3.974 -5.217 1.00 52.35 C ATOM 1320 CG2 VAL A 80 3.670 -6.366 -5.787 1.00 34.33 C ATOM 0 H VAL A 80 1.037 -7.251 -6.978 1.00 64.05 H new ATOM 0 HA VAL A 80 1.177 -5.819 -4.397 1.00 73.54 H new ATOM 0 HB VAL A 80 2.523 -5.051 -7.022 1.00 13.53 H new ATOM 0 HG11 VAL A 80 3.961 -3.643 -5.557 1.00 52.35 H new ATOM 0 HG12 VAL A 80 2.243 -3.199 -5.427 1.00 52.35 H new ATOM 0 HG13 VAL A 80 3.013 -4.162 -4.144 1.00 52.35 H new ATOM 0 HG21 VAL A 80 4.633 -5.980 -6.122 1.00 34.33 H new ATOM 0 HG22 VAL A 80 3.739 -6.650 -4.737 1.00 34.33 H new ATOM 0 HG23 VAL A 80 3.402 -7.239 -6.382 1.00 34.33 H new ATOM 1330 N LEU A 81 -0.452 -4.011 -5.064 1.00 71.53 N ATOM 1331 CA LEU A 81 -1.467 -3.003 -5.352 1.00 71.13 C ATOM 1332 C LEU A 81 -1.124 -1.739 -4.542 1.00 52.31 C ATOM 1333 O LEU A 81 -1.249 -1.753 -3.316 1.00 72.54 O ATOM 1334 CB LEU A 81 -2.880 -3.555 -4.969 1.00 44.12 C ATOM 1335 CG LEU A 81 -4.041 -3.194 -5.937 1.00 44.30 C ATOM 1336 CD1 LEU A 81 -3.842 -3.884 -7.301 1.00 20.24 C ATOM 1337 CD2 LEU A 81 -5.408 -3.544 -5.316 1.00 3.11 C ATOM 0 H LEU A 81 -0.194 -4.053 -4.078 1.00 71.53 H new ATOM 0 HA LEU A 81 -1.484 -2.759 -6.414 1.00 71.13 H new ATOM 0 HB2 LEU A 81 -2.817 -4.641 -4.899 1.00 44.12 H new ATOM 0 HB3 LEU A 81 -3.135 -3.186 -3.975 1.00 44.12 H new ATOM 0 HG LEU A 81 -4.028 -2.117 -6.104 1.00 44.30 H new ATOM 0 HD11 LEU A 81 -4.664 -3.620 -7.966 1.00 20.24 H new ATOM 0 HD12 LEU A 81 -2.900 -3.556 -7.741 1.00 20.24 H new ATOM 0 HD13 LEU A 81 -3.821 -4.965 -7.162 1.00 20.24 H new ATOM 0 HD21 LEU A 81 -6.203 -3.281 -6.014 1.00 3.11 H new ATOM 0 HD22 LEU A 81 -5.449 -4.613 -5.105 1.00 3.11 H new ATOM 0 HD23 LEU A 81 -5.540 -2.986 -4.389 1.00 3.11 H new ATOM 1349 N VAL A 82 -0.686 -0.659 -5.204 1.00 41.52 N ATOM 1350 CA VAL A 82 -0.314 0.589 -4.500 1.00 42.52 C ATOM 1351 C VAL A 82 -1.469 1.592 -4.611 1.00 74.03 C ATOM 1352 O VAL A 82 -1.764 2.095 -5.692 1.00 43.43 O ATOM 1353 CB VAL A 82 1.023 1.201 -5.058 1.00 13.21 C ATOM 1354 CG1 VAL A 82 1.422 2.508 -4.312 1.00 25.52 C ATOM 1355 CG2 VAL A 82 2.159 0.147 -5.008 1.00 74.24 C ATOM 0 H VAL A 82 -0.579 -0.618 -6.218 1.00 41.52 H new ATOM 0 HA VAL A 82 -0.135 0.356 -3.450 1.00 42.52 H new ATOM 0 HB VAL A 82 0.856 1.477 -6.099 1.00 13.21 H new ATOM 0 HG11 VAL A 82 2.351 2.896 -4.730 1.00 25.52 H new ATOM 0 HG12 VAL A 82 0.633 3.250 -4.431 1.00 25.52 H new ATOM 0 HG13 VAL A 82 1.562 2.294 -3.252 1.00 25.52 H new ATOM 0 HG21 VAL A 82 3.078 0.584 -5.397 1.00 74.24 H new ATOM 0 HG22 VAL A 82 2.316 -0.170 -3.977 1.00 74.24 H new ATOM 0 HG23 VAL A 82 1.882 -0.715 -5.615 1.00 74.24 H new ATOM 1365 N ILE A 83 -2.091 1.875 -3.469 1.00 35.22 N ATOM 1366 CA ILE A 83 -3.288 2.712 -3.357 1.00 24.11 C ATOM 1367 C ILE A 83 -2.865 4.101 -2.868 1.00 4.41 C ATOM 1368 O ILE A 83 -2.423 4.249 -1.732 1.00 53.44 O ATOM 1369 CB ILE A 83 -4.298 2.048 -2.351 1.00 23.14 C ATOM 1370 CG1 ILE A 83 -4.535 0.551 -2.745 1.00 25.34 C ATOM 1371 CG2 ILE A 83 -5.637 2.835 -2.291 1.00 41.44 C ATOM 1372 CD1 ILE A 83 -5.221 -0.270 -1.687 1.00 62.02 C ATOM 0 H ILE A 83 -1.769 1.519 -2.569 1.00 35.22 H new ATOM 0 HA ILE A 83 -3.782 2.807 -4.324 1.00 24.11 H new ATOM 0 HB ILE A 83 -3.864 2.080 -1.352 1.00 23.14 H new ATOM 0 HG12 ILE A 83 -5.132 0.518 -3.657 1.00 25.34 H new ATOM 0 HG13 ILE A 83 -3.574 0.093 -2.977 1.00 25.34 H new ATOM 0 HG21 ILE A 83 -6.313 2.350 -1.587 1.00 41.44 H new ATOM 0 HG22 ILE A 83 -5.444 3.857 -1.964 1.00 41.44 H new ATOM 0 HG23 ILE A 83 -6.094 2.851 -3.280 1.00 41.44 H new ATOM 0 HD11 ILE A 83 -5.345 -1.293 -2.043 1.00 62.02 H new ATOM 0 HD12 ILE A 83 -4.617 -0.273 -0.780 1.00 62.02 H new ATOM 0 HD13 ILE A 83 -6.199 0.160 -1.470 1.00 62.02 H new ATOM 1384 N LYS A 84 -2.997 5.107 -3.735 1.00 42.44 N ATOM 1385 CA LYS A 84 -2.502 6.466 -3.476 1.00 14.52 C ATOM 1386 C LYS A 84 -3.590 7.507 -3.771 1.00 3.12 C ATOM 1387 O LYS A 84 -4.297 7.419 -4.784 1.00 43.35 O ATOM 1388 CB LYS A 84 -1.217 6.714 -4.318 1.00 52.34 C ATOM 1389 CG LYS A 84 -1.301 6.249 -5.791 1.00 71.01 C ATOM 1390 CD LYS A 84 0.028 6.399 -6.585 1.00 32.34 C ATOM 1391 CE LYS A 84 0.383 7.845 -6.951 1.00 23.04 C ATOM 1392 NZ LYS A 84 0.821 8.660 -5.783 1.00 73.41 N ATOM 0 H LYS A 84 -3.452 5.004 -4.642 1.00 42.44 H new ATOM 0 HA LYS A 84 -2.247 6.567 -2.421 1.00 14.52 H new ATOM 0 HB2 LYS A 84 -0.990 7.780 -4.302 1.00 52.34 H new ATOM 0 HB3 LYS A 84 -0.382 6.203 -3.838 1.00 52.34 H new ATOM 0 HG2 LYS A 84 -1.608 5.203 -5.813 1.00 71.01 H new ATOM 0 HG3 LYS A 84 -2.079 6.820 -6.297 1.00 71.01 H new ATOM 0 HD2 LYS A 84 0.841 5.976 -5.994 1.00 32.34 H new ATOM 0 HD3 LYS A 84 -0.041 5.811 -7.500 1.00 32.34 H new ATOM 0 HE2 LYS A 84 1.176 7.839 -7.698 1.00 23.04 H new ATOM 0 HE3 LYS A 84 -0.484 8.319 -7.411 1.00 23.04 H new ATOM 0 HZ1 LYS A 84 1.580 9.307 -6.077 1.00 73.41 H new ATOM 0 HZ2 LYS A 84 0.016 9.211 -5.423 1.00 73.41 H new ATOM 0 HZ3 LYS A 84 1.173 8.031 -5.033 1.00 73.41 H new ATOM 1406 N VAL A 85 -3.697 8.498 -2.871 1.00 24.24 N ATOM 1407 CA VAL A 85 -4.659 9.600 -2.975 1.00 13.14 C ATOM 1408 C VAL A 85 -4.050 10.699 -3.873 1.00 12.12 C ATOM 1409 O VAL A 85 -3.119 11.409 -3.468 1.00 23.43 O ATOM 1410 CB VAL A 85 -5.024 10.141 -1.532 1.00 55.22 C ATOM 1411 CG1 VAL A 85 -5.999 11.338 -1.581 1.00 71.24 C ATOM 1412 CG2 VAL A 85 -5.594 8.998 -0.646 1.00 64.44 C ATOM 0 H VAL A 85 -3.108 8.554 -2.040 1.00 24.24 H new ATOM 0 HA VAL A 85 -5.589 9.258 -3.429 1.00 13.14 H new ATOM 0 HB VAL A 85 -4.100 10.505 -1.083 1.00 55.22 H new ATOM 0 HG11 VAL A 85 -6.217 11.671 -0.566 1.00 71.24 H new ATOM 0 HG12 VAL A 85 -5.544 12.155 -2.141 1.00 71.24 H new ATOM 0 HG13 VAL A 85 -6.924 11.034 -2.070 1.00 71.24 H new ATOM 0 HG21 VAL A 85 -5.838 9.390 0.341 1.00 64.44 H new ATOM 0 HG22 VAL A 85 -6.494 8.593 -1.109 1.00 64.44 H new ATOM 0 HG23 VAL A 85 -4.850 8.208 -0.548 1.00 64.44 H new ATOM 1422 N ALA A 86 -4.556 10.775 -5.117 1.00 34.41 N ATOM 1423 CA ALA A 86 -3.998 11.622 -6.178 1.00 13.13 C ATOM 1424 C ALA A 86 -4.661 12.998 -6.204 1.00 44.15 C ATOM 1425 O ALA A 86 -5.859 13.100 -6.425 1.00 61.31 O ATOM 1426 CB ALA A 86 -4.174 10.933 -7.535 1.00 44.25 C ATOM 0 H ALA A 86 -5.374 10.242 -5.414 1.00 34.41 H new ATOM 0 HA ALA A 86 -2.937 11.766 -5.973 1.00 13.13 H new ATOM 0 HB1 ALA A 86 -3.759 11.565 -8.320 1.00 44.25 H new ATOM 0 HB2 ALA A 86 -3.654 9.975 -7.527 1.00 44.25 H new ATOM 0 HB3 ALA A 86 -5.235 10.769 -7.725 1.00 44.25 H new ATOM 1432 N GLN A 87 -3.874 14.051 -5.971 1.00 53.21 N ATOM 1433 CA GLN A 87 -4.329 15.447 -6.141 1.00 65.21 C ATOM 1434 C GLN A 87 -3.330 16.256 -6.994 1.00 14.45 C ATOM 1435 O GLN A 87 -3.600 17.412 -7.342 1.00 62.32 O ATOM 1436 CB GLN A 87 -4.569 16.111 -4.758 1.00 30.52 C ATOM 1437 CG GLN A 87 -5.821 15.599 -4.000 1.00 11.11 C ATOM 1438 CD GLN A 87 -7.133 15.805 -4.781 1.00 53.25 C ATOM 1439 OE1 GLN A 87 -7.284 16.756 -5.555 1.00 32.10 O ATOM 1440 NE2 GLN A 87 -8.092 14.921 -4.583 1.00 12.02 N ATOM 0 H GLN A 87 -2.906 13.969 -5.660 1.00 53.21 H new ATOM 0 HA GLN A 87 -5.278 15.438 -6.677 1.00 65.21 H new ATOM 0 HB2 GLN A 87 -3.691 15.946 -4.134 1.00 30.52 H new ATOM 0 HB3 GLN A 87 -4.662 17.188 -4.899 1.00 30.52 H new ATOM 0 HG2 GLN A 87 -5.698 14.538 -3.784 1.00 11.11 H new ATOM 0 HG3 GLN A 87 -5.892 16.113 -3.042 1.00 11.11 H new ATOM 0 HE21 GLN A 87 -7.944 14.144 -3.939 1.00 12.02 H new ATOM 0 HE22 GLN A 87 -8.981 15.015 -5.074 1.00 12.02 H new ATOM 1449 N ASP A 88 -2.189 15.640 -7.335 1.00 11.13 N ATOM 1450 CA ASP A 88 -1.134 16.277 -8.148 1.00 61.23 C ATOM 1451 C ASP A 88 -1.341 15.917 -9.628 1.00 1.34 C ATOM 1452 O ASP A 88 -1.106 16.739 -10.515 1.00 11.22 O ATOM 1453 CB ASP A 88 0.269 15.807 -7.687 1.00 32.30 C ATOM 1454 CG ASP A 88 0.399 15.762 -6.167 1.00 42.01 C ATOM 1455 OD1 ASP A 88 0.773 16.782 -5.551 1.00 14.14 O ATOM 1456 OD2 ASP A 88 0.087 14.703 -5.582 1.00 31.11 O ATOM 0 H ASP A 88 -1.968 14.684 -7.056 1.00 11.13 H new ATOM 0 HA ASP A 88 -1.197 17.358 -8.020 1.00 61.23 H new ATOM 0 HB2 ASP A 88 0.469 14.816 -8.095 1.00 32.30 H new ATOM 0 HB3 ASP A 88 1.025 16.478 -8.094 1.00 32.30 H new ATOM 1461 N GLN A 89 -1.762 14.646 -9.851 1.00 15.04 N ATOM 1462 CA GLN A 89 -2.048 14.055 -11.178 1.00 74.13 C ATOM 1463 C GLN A 89 -0.785 13.961 -12.069 1.00 73.54 C ATOM 1464 O GLN A 89 -0.230 12.880 -12.216 1.00 12.44 O ATOM 1465 CB GLN A 89 -3.220 14.792 -11.900 1.00 72.24 C ATOM 1466 CG GLN A 89 -4.561 14.738 -11.134 1.00 42.40 C ATOM 1467 CD GLN A 89 -5.701 15.500 -11.822 1.00 50.11 C ATOM 1468 OE1 GLN A 89 -5.476 16.486 -12.525 1.00 65.10 O ATOM 1469 NE2 GLN A 89 -6.936 15.069 -11.599 1.00 11.30 N ATOM 0 H GLN A 89 -1.916 13.987 -9.088 1.00 15.04 H new ATOM 0 HA GLN A 89 -2.374 13.031 -10.999 1.00 74.13 H new ATOM 0 HB2 GLN A 89 -2.942 15.835 -12.052 1.00 72.24 H new ATOM 0 HB3 GLN A 89 -3.359 14.352 -12.888 1.00 72.24 H new ATOM 0 HG2 GLN A 89 -4.856 13.696 -11.011 1.00 42.40 H new ATOM 0 HG3 GLN A 89 -4.414 15.148 -10.135 1.00 42.40 H new ATOM 0 HE21 GLN A 89 -7.092 14.249 -11.012 1.00 11.30 H new ATOM 0 HE22 GLN A 89 -7.729 15.557 -12.014 1.00 11.30 H new ATOM 1478 N GLU A 90 -0.329 15.105 -12.619 1.00 52.35 N ATOM 1479 CA GLU A 90 0.765 15.163 -13.618 1.00 22.52 C ATOM 1480 C GLU A 90 2.143 14.804 -13.016 1.00 43.10 C ATOM 1481 O GLU A 90 2.822 13.894 -13.501 1.00 61.42 O ATOM 1482 CB GLU A 90 0.826 16.581 -14.237 1.00 4.13 C ATOM 1483 CG GLU A 90 -0.483 17.055 -14.897 1.00 33.13 C ATOM 1484 CD GLU A 90 -0.369 18.483 -15.448 1.00 55.44 C ATOM 1485 OE1 GLU A 90 -0.553 19.447 -14.670 1.00 41.42 O ATOM 1486 OE2 GLU A 90 -0.069 18.652 -16.652 1.00 51.02 O ATOM 0 H GLU A 90 -0.710 16.021 -12.383 1.00 52.35 H new ATOM 0 HA GLU A 90 0.543 14.420 -14.383 1.00 22.52 H new ATOM 0 HB2 GLU A 90 1.101 17.291 -13.457 1.00 4.13 H new ATOM 0 HB3 GLU A 90 1.621 16.603 -14.983 1.00 4.13 H new ATOM 0 HG2 GLU A 90 -0.747 16.375 -15.707 1.00 33.13 H new ATOM 0 HG3 GLU A 90 -1.292 17.012 -14.168 1.00 33.13 H new ATOM 1493 N LEU A 91 2.538 15.522 -11.946 1.00 70.30 N ATOM 1494 CA LEU A 91 3.825 15.287 -11.239 1.00 63.41 C ATOM 1495 C LEU A 91 3.792 13.905 -10.580 1.00 33.55 C ATOM 1496 O LEU A 91 4.785 13.179 -10.560 1.00 63.00 O ATOM 1497 CB LEU A 91 4.059 16.426 -10.195 1.00 33.32 C ATOM 1498 CG LEU A 91 5.474 16.526 -9.501 1.00 63.05 C ATOM 1499 CD1 LEU A 91 5.726 17.959 -8.972 1.00 63.30 C ATOM 1500 CD2 LEU A 91 5.659 15.494 -8.353 1.00 32.24 C ATOM 0 H LEU A 91 1.982 16.278 -11.545 1.00 70.30 H new ATOM 0 HA LEU A 91 4.657 15.305 -11.942 1.00 63.41 H new ATOM 0 HB2 LEU A 91 3.864 17.377 -10.691 1.00 33.32 H new ATOM 0 HB3 LEU A 91 3.311 16.317 -9.410 1.00 33.32 H new ATOM 0 HG LEU A 91 6.210 16.288 -10.269 1.00 63.05 H new ATOM 0 HD11 LEU A 91 6.706 18.005 -8.498 1.00 63.30 H new ATOM 0 HD12 LEU A 91 5.691 18.665 -9.802 1.00 63.30 H new ATOM 0 HD13 LEU A 91 4.958 18.218 -8.243 1.00 63.30 H new ATOM 0 HD21 LEU A 91 6.650 15.611 -7.915 1.00 32.24 H new ATOM 0 HD22 LEU A 91 4.901 15.662 -7.587 1.00 32.24 H new ATOM 0 HD23 LEU A 91 5.555 14.485 -8.751 1.00 32.24 H new ATOM 1512 N LEU A 92 2.616 13.578 -10.055 1.00 42.24 N ATOM 1513 CA LEU A 92 2.306 12.286 -9.432 1.00 22.53 C ATOM 1514 C LEU A 92 2.434 11.114 -10.434 1.00 42.34 C ATOM 1515 O LEU A 92 2.828 10.000 -10.054 1.00 71.42 O ATOM 1516 CB LEU A 92 0.877 12.415 -8.854 1.00 32.43 C ATOM 1517 CG LEU A 92 0.222 11.154 -8.195 1.00 74.12 C ATOM 1518 CD1 LEU A 92 -0.453 11.513 -6.845 1.00 74.24 C ATOM 1519 CD2 LEU A 92 -0.790 10.467 -9.163 1.00 12.34 C ATOM 0 H LEU A 92 1.824 14.221 -10.049 1.00 42.24 H new ATOM 0 HA LEU A 92 3.019 12.052 -8.641 1.00 22.53 H new ATOM 0 HB2 LEU A 92 0.891 13.209 -8.108 1.00 32.43 H new ATOM 0 HB3 LEU A 92 0.222 12.746 -9.660 1.00 32.43 H new ATOM 0 HG LEU A 92 1.020 10.440 -7.990 1.00 74.12 H new ATOM 0 HD11 LEU A 92 -0.899 10.618 -6.412 1.00 74.24 H new ATOM 0 HD12 LEU A 92 0.294 11.914 -6.160 1.00 74.24 H new ATOM 0 HD13 LEU A 92 -1.229 12.260 -7.013 1.00 74.24 H new ATOM 0 HD21 LEU A 92 -1.226 9.596 -8.675 1.00 12.34 H new ATOM 0 HD22 LEU A 92 -1.580 11.171 -9.423 1.00 12.34 H new ATOM 0 HD23 LEU A 92 -0.271 10.153 -10.069 1.00 12.34 H new ATOM 1531 N GLU A 93 2.127 11.404 -11.714 1.00 22.20 N ATOM 1532 CA GLU A 93 2.161 10.429 -12.820 1.00 32.44 C ATOM 1533 C GLU A 93 3.593 9.938 -13.108 1.00 40.21 C ATOM 1534 O GLU A 93 3.774 8.854 -13.662 1.00 11.51 O ATOM 1535 CB GLU A 93 1.486 11.040 -14.078 1.00 50.21 C ATOM 1536 CG GLU A 93 1.334 10.087 -15.276 1.00 13.13 C ATOM 1537 CD GLU A 93 0.425 10.656 -16.374 1.00 31.24 C ATOM 1538 OE1 GLU A 93 0.913 11.431 -17.222 1.00 64.10 O ATOM 1539 OE2 GLU A 93 -0.781 10.331 -16.387 1.00 33.23 O ATOM 0 H GLU A 93 1.844 12.338 -12.012 1.00 22.20 H new ATOM 0 HA GLU A 93 1.595 9.546 -12.524 1.00 32.44 H new ATOM 0 HB2 GLU A 93 0.498 11.404 -13.798 1.00 50.21 H new ATOM 0 HB3 GLU A 93 2.066 11.906 -14.396 1.00 50.21 H new ATOM 0 HG2 GLU A 93 2.318 9.879 -15.696 1.00 13.13 H new ATOM 0 HG3 GLU A 93 0.928 9.137 -14.930 1.00 13.13 H new ATOM 1546 N ARG A 94 4.602 10.735 -12.704 1.00 35.43 N ATOM 1547 CA ARG A 94 6.029 10.373 -12.848 1.00 5.10 C ATOM 1548 C ARG A 94 6.327 8.996 -12.206 1.00 31.44 C ATOM 1549 O ARG A 94 6.867 8.101 -12.873 1.00 21.34 O ATOM 1550 CB ARG A 94 6.916 11.473 -12.211 1.00 1.51 C ATOM 1551 CG ARG A 94 8.439 11.234 -12.318 1.00 73.23 C ATOM 1552 CD ARG A 94 9.267 12.309 -11.585 1.00 0.11 C ATOM 1553 NE ARG A 94 10.717 12.050 -11.685 1.00 51.53 N ATOM 1554 CZ ARG A 94 11.624 12.213 -10.700 1.00 62.53 C ATOM 1555 NH1 ARG A 94 11.258 12.640 -9.490 1.00 1.22 N ATOM 1556 NH2 ARG A 94 12.898 11.938 -10.943 1.00 11.20 N ATOM 0 H ARG A 94 4.453 11.646 -12.270 1.00 35.43 H new ATOM 0 HA ARG A 94 6.259 10.298 -13.911 1.00 5.10 H new ATOM 0 HB2 ARG A 94 6.680 12.426 -12.684 1.00 1.51 H new ATOM 0 HB3 ARG A 94 6.652 11.565 -11.157 1.00 1.51 H new ATOM 0 HG2 ARG A 94 8.678 10.254 -11.905 1.00 73.23 H new ATOM 0 HG3 ARG A 94 8.726 11.215 -13.369 1.00 73.23 H new ATOM 0 HD2 ARG A 94 9.043 13.289 -12.006 1.00 0.11 H new ATOM 0 HD3 ARG A 94 8.975 12.339 -10.535 1.00 0.11 H new ATOM 0 HE ARG A 94 11.066 11.716 -12.584 1.00 51.53 H new ATOM 0 HH11 ARG A 94 10.278 12.849 -9.298 1.00 1.22 H new ATOM 0 HH12 ARG A 94 11.958 12.757 -8.757 1.00 1.22 H new ATOM 0 HH21 ARG A 94 13.181 11.608 -11.865 1.00 11.20 H new ATOM 0 HH22 ARG A 94 13.595 12.057 -10.207 1.00 11.20 H new ATOM 1570 N PHE A 95 5.929 8.832 -10.927 1.00 33.34 N ATOM 1571 CA PHE A 95 6.076 7.553 -10.202 1.00 22.43 C ATOM 1572 C PHE A 95 4.969 6.564 -10.605 1.00 20.51 C ATOM 1573 O PHE A 95 5.237 5.386 -10.829 1.00 54.30 O ATOM 1574 CB PHE A 95 6.065 7.775 -8.666 1.00 31.42 C ATOM 1575 CG PHE A 95 6.343 6.497 -7.868 1.00 1.32 C ATOM 1576 CD1 PHE A 95 7.612 5.913 -7.893 1.00 41.03 C ATOM 1577 CD2 PHE A 95 5.339 5.850 -7.143 1.00 65.21 C ATOM 1578 CE1 PHE A 95 7.872 4.752 -7.197 1.00 14.21 C ATOM 1579 CE2 PHE A 95 5.604 4.682 -6.450 1.00 11.33 C ATOM 1580 CZ PHE A 95 6.868 4.129 -6.486 1.00 14.11 C ATOM 0 H PHE A 95 5.501 9.574 -10.373 1.00 33.34 H new ATOM 0 HA PHE A 95 7.040 7.126 -10.479 1.00 22.43 H new ATOM 0 HB2 PHE A 95 6.812 8.526 -8.409 1.00 31.42 H new ATOM 0 HB3 PHE A 95 5.095 8.176 -8.371 1.00 31.42 H new ATOM 0 HD1 PHE A 95 8.401 6.378 -8.466 1.00 41.03 H new ATOM 0 HD2 PHE A 95 4.343 6.267 -7.123 1.00 65.21 H new ATOM 0 HE1 PHE A 95 8.866 4.329 -7.209 1.00 14.21 H new ATOM 0 HE2 PHE A 95 4.821 4.203 -5.881 1.00 11.33 H new ATOM 0 HZ PHE A 95 7.071 3.209 -5.958 1.00 14.11 H new ATOM 1590 N TYR A 96 3.737 7.083 -10.709 1.00 61.11 N ATOM 1591 CA TYR A 96 2.517 6.303 -11.024 1.00 12.10 C ATOM 1592 C TYR A 96 2.684 5.434 -12.299 1.00 73.45 C ATOM 1593 O TYR A 96 2.227 4.281 -12.343 1.00 11.34 O ATOM 1594 CB TYR A 96 1.355 7.319 -11.175 1.00 41.01 C ATOM 1595 CG TYR A 96 0.021 6.796 -11.726 1.00 21.31 C ATOM 1596 CD1 TYR A 96 -0.219 6.720 -13.107 1.00 31.41 C ATOM 1597 CD2 TYR A 96 -1.012 6.424 -10.877 1.00 73.23 C ATOM 1598 CE1 TYR A 96 -1.428 6.280 -13.602 1.00 71.15 C ATOM 1599 CE2 TYR A 96 -2.224 5.992 -11.373 1.00 23.12 C ATOM 1600 CZ TYR A 96 -2.430 5.918 -12.732 1.00 21.12 C ATOM 1601 OH TYR A 96 -3.643 5.481 -13.222 1.00 52.33 O ATOM 0 H TYR A 96 3.550 8.077 -10.575 1.00 61.11 H new ATOM 0 HA TYR A 96 2.310 5.596 -10.221 1.00 12.10 H new ATOM 0 HB2 TYR A 96 1.165 7.760 -10.196 1.00 41.01 H new ATOM 0 HB3 TYR A 96 1.695 8.124 -11.826 1.00 41.01 H new ATOM 0 HD1 TYR A 96 0.560 7.012 -13.796 1.00 31.41 H new ATOM 0 HD2 TYR A 96 -0.864 6.474 -9.808 1.00 73.23 H new ATOM 0 HE1 TYR A 96 -1.588 6.220 -14.668 1.00 71.15 H new ATOM 0 HE2 TYR A 96 -3.014 5.711 -10.693 1.00 23.12 H new ATOM 0 HH TYR A 96 -4.239 5.264 -12.475 1.00 52.33 H new ATOM 1611 N GLU A 97 3.377 6.002 -13.306 1.00 53.54 N ATOM 1612 CA GLU A 97 3.551 5.385 -14.634 1.00 14.01 C ATOM 1613 C GLU A 97 4.514 4.199 -14.551 1.00 33.23 C ATOM 1614 O GLU A 97 4.359 3.216 -15.277 1.00 62.52 O ATOM 1615 CB GLU A 97 4.103 6.421 -15.651 1.00 53.51 C ATOM 1616 CG GLU A 97 4.407 5.843 -17.061 1.00 33.21 C ATOM 1617 CD GLU A 97 5.369 6.698 -17.896 1.00 11.24 C ATOM 1618 OE1 GLU A 97 6.579 6.702 -17.582 1.00 23.45 O ATOM 1619 OE2 GLU A 97 4.936 7.344 -18.875 1.00 73.45 O ATOM 0 H GLU A 97 3.835 6.909 -13.219 1.00 53.54 H new ATOM 0 HA GLU A 97 2.575 5.036 -14.972 1.00 14.01 H new ATOM 0 HB2 GLU A 97 3.381 7.231 -15.753 1.00 53.51 H new ATOM 0 HB3 GLU A 97 5.017 6.857 -15.246 1.00 53.51 H new ATOM 0 HG2 GLU A 97 4.830 4.845 -16.949 1.00 33.21 H new ATOM 0 HG3 GLU A 97 3.470 5.733 -17.606 1.00 33.21 H new ATOM 1626 N GLN A 98 5.503 4.318 -13.649 1.00 4.42 N ATOM 1627 CA GLN A 98 6.559 3.315 -13.475 1.00 73.13 C ATOM 1628 C GLN A 98 5.959 1.946 -13.127 1.00 4.12 C ATOM 1629 O GLN A 98 6.330 0.933 -13.714 1.00 12.24 O ATOM 1630 CB GLN A 98 7.551 3.773 -12.374 1.00 1.21 C ATOM 1631 CG GLN A 98 8.275 5.110 -12.654 1.00 45.34 C ATOM 1632 CD GLN A 98 8.742 5.253 -14.107 1.00 21.44 C ATOM 1633 OE1 GLN A 98 9.831 4.804 -14.469 1.00 24.44 O ATOM 1634 NE2 GLN A 98 7.923 5.892 -14.934 1.00 23.10 N ATOM 0 H GLN A 98 5.590 5.116 -13.020 1.00 4.42 H new ATOM 0 HA GLN A 98 7.101 3.215 -14.415 1.00 73.13 H new ATOM 0 HB2 GLN A 98 7.008 3.862 -11.433 1.00 1.21 H new ATOM 0 HB3 GLN A 98 8.301 2.994 -12.237 1.00 1.21 H new ATOM 0 HG2 GLN A 98 7.606 5.935 -12.412 1.00 45.34 H new ATOM 0 HG3 GLN A 98 9.137 5.194 -11.992 1.00 45.34 H new ATOM 0 HE21 GLN A 98 7.030 6.248 -14.593 1.00 23.10 H new ATOM 0 HE22 GLN A 98 8.187 6.027 -15.910 1.00 23.10 H new ATOM 1643 N LEU A 99 4.968 1.966 -12.221 1.00 14.52 N ATOM 1644 CA LEU A 99 4.236 0.761 -11.779 1.00 3.24 C ATOM 1645 C LEU A 99 3.447 0.184 -12.952 1.00 1.10 C ATOM 1646 O LEU A 99 3.485 -1.018 -13.207 1.00 64.24 O ATOM 1647 CB LEU A 99 3.269 1.090 -10.606 1.00 41.10 C ATOM 1648 CG LEU A 99 3.921 1.426 -9.226 1.00 5.21 C ATOM 1649 CD1 LEU A 99 4.830 2.666 -9.289 1.00 24.11 C ATOM 1650 CD2 LEU A 99 2.832 1.604 -8.159 1.00 1.44 C ATOM 0 H LEU A 99 4.648 2.823 -11.770 1.00 14.52 H new ATOM 0 HA LEU A 99 4.962 0.028 -11.426 1.00 3.24 H new ATOM 0 HB2 LEU A 99 2.650 1.936 -10.904 1.00 41.10 H new ATOM 0 HB3 LEU A 99 2.601 0.240 -10.468 1.00 41.10 H new ATOM 0 HG LEU A 99 4.559 0.585 -8.954 1.00 5.21 H new ATOM 0 HD11 LEU A 99 5.257 2.855 -8.304 1.00 24.11 H new ATOM 0 HD12 LEU A 99 5.633 2.492 -10.005 1.00 24.11 H new ATOM 0 HD13 LEU A 99 4.245 3.531 -9.602 1.00 24.11 H new ATOM 0 HD21 LEU A 99 3.296 1.838 -7.201 1.00 1.44 H new ATOM 0 HD22 LEU A 99 2.168 2.418 -8.449 1.00 1.44 H new ATOM 0 HD23 LEU A 99 2.257 0.682 -8.068 1.00 1.44 H new ATOM 1662 N LYS A 100 2.763 1.083 -13.680 1.00 52.51 N ATOM 1663 CA LYS A 100 1.950 0.727 -14.851 1.00 71.42 C ATOM 1664 C LYS A 100 2.813 0.085 -15.960 1.00 43.34 C ATOM 1665 O LYS A 100 2.346 -0.786 -16.702 1.00 70.23 O ATOM 1666 CB LYS A 100 1.221 1.990 -15.391 1.00 43.13 C ATOM 1667 CG LYS A 100 0.167 2.627 -14.441 1.00 72.35 C ATOM 1668 CD LYS A 100 -1.221 1.917 -14.459 1.00 51.34 C ATOM 1669 CE LYS A 100 -1.253 0.552 -13.744 1.00 62.31 C ATOM 1670 NZ LYS A 100 -2.555 -0.135 -13.925 1.00 45.33 N ATOM 0 H LYS A 100 2.760 2.081 -13.470 1.00 52.51 H new ATOM 0 HA LYS A 100 1.208 -0.010 -14.542 1.00 71.42 H new ATOM 0 HB2 LYS A 100 1.971 2.745 -15.628 1.00 43.13 H new ATOM 0 HB3 LYS A 100 0.727 1.728 -16.326 1.00 43.13 H new ATOM 0 HG2 LYS A 100 0.556 2.613 -13.423 1.00 72.35 H new ATOM 0 HG3 LYS A 100 0.031 3.673 -14.716 1.00 72.35 H new ATOM 0 HD2 LYS A 100 -1.956 2.573 -13.994 1.00 51.34 H new ATOM 0 HD3 LYS A 100 -1.529 1.777 -15.495 1.00 51.34 H new ATOM 0 HE2 LYS A 100 -0.452 -0.079 -14.130 1.00 62.31 H new ATOM 0 HE3 LYS A 100 -1.062 0.694 -12.680 1.00 62.31 H new ATOM 0 HZ1 LYS A 100 -2.514 -1.078 -13.487 1.00 45.33 H new ATOM 0 HZ2 LYS A 100 -3.308 0.423 -13.474 1.00 45.33 H new ATOM 0 HZ3 LYS A 100 -2.757 -0.233 -14.940 1.00 45.33 H new ATOM 1684 N LYS A 101 4.085 0.516 -16.030 1.00 34.14 N ATOM 1685 CA LYS A 101 5.051 0.054 -17.034 1.00 40.34 C ATOM 1686 C LYS A 101 5.608 -1.337 -16.654 1.00 3.45 C ATOM 1687 O LYS A 101 5.832 -2.178 -17.530 1.00 11.02 O ATOM 1688 CB LYS A 101 6.188 1.100 -17.185 1.00 70.25 C ATOM 1689 CG LYS A 101 7.246 0.743 -18.253 1.00 35.43 C ATOM 1690 CD LYS A 101 8.322 1.835 -18.441 1.00 70.42 C ATOM 1691 CE LYS A 101 7.758 3.134 -19.041 1.00 42.35 C ATOM 1692 NZ LYS A 101 8.837 4.089 -19.395 1.00 62.42 N ATOM 0 H LYS A 101 4.472 1.202 -15.382 1.00 34.14 H new ATOM 0 HA LYS A 101 4.549 -0.049 -17.996 1.00 40.34 H new ATOM 0 HB2 LYS A 101 5.747 2.064 -17.436 1.00 70.25 H new ATOM 0 HB3 LYS A 101 6.686 1.218 -16.223 1.00 70.25 H new ATOM 0 HG2 LYS A 101 7.733 -0.191 -17.973 1.00 35.43 H new ATOM 0 HG3 LYS A 101 6.745 0.569 -19.205 1.00 35.43 H new ATOM 0 HD2 LYS A 101 8.781 2.055 -17.477 1.00 70.42 H new ATOM 0 HD3 LYS A 101 9.110 1.453 -19.090 1.00 70.42 H new ATOM 0 HE2 LYS A 101 7.173 2.900 -19.930 1.00 42.35 H new ATOM 0 HE3 LYS A 101 7.079 3.600 -18.327 1.00 42.35 H new ATOM 0 HZ1 LYS A 101 8.419 4.952 -19.796 1.00 62.42 H new ATOM 0 HZ2 LYS A 101 9.380 4.332 -18.542 1.00 62.42 H new ATOM 0 HZ3 LYS A 101 9.470 3.653 -20.096 1.00 62.42 H new ATOM 1706 N ASP A 102 5.834 -1.562 -15.341 1.00 25.32 N ATOM 1707 CA ASP A 102 6.164 -2.903 -14.792 1.00 1.03 C ATOM 1708 C ASP A 102 5.030 -3.901 -15.117 1.00 73.31 C ATOM 1709 O ASP A 102 5.274 -5.038 -15.543 1.00 1.21 O ATOM 1710 CB ASP A 102 6.351 -2.844 -13.239 1.00 0.33 C ATOM 1711 CG ASP A 102 7.680 -2.241 -12.753 1.00 62.42 C ATOM 1712 OD1 ASP A 102 8.081 -1.176 -13.244 1.00 22.34 O ATOM 1713 OD2 ASP A 102 8.328 -2.839 -11.864 1.00 72.13 O ATOM 0 H ASP A 102 5.794 -0.828 -14.634 1.00 25.32 H new ATOM 0 HA ASP A 102 7.096 -3.231 -15.252 1.00 1.03 H new ATOM 0 HB2 ASP A 102 5.532 -2.263 -12.814 1.00 0.33 H new ATOM 0 HB3 ASP A 102 6.265 -3.855 -12.842 1.00 0.33 H new ATOM 1718 N GLY A 103 3.795 -3.425 -14.918 1.00 74.50 N ATOM 1719 CA GLY A 103 2.585 -4.246 -14.995 1.00 75.01 C ATOM 1720 C GLY A 103 1.869 -4.287 -13.654 1.00 4.54 C ATOM 1721 O GLY A 103 0.850 -4.959 -13.503 1.00 43.40 O ATOM 0 H GLY A 103 3.608 -2.447 -14.696 1.00 74.50 H new ATOM 0 HA2 GLY A 103 1.916 -3.844 -15.756 1.00 75.01 H new ATOM 0 HA3 GLY A 103 2.847 -5.258 -15.303 1.00 75.01 H new ATOM 1725 N VAL A 104 2.426 -3.561 -12.678 1.00 73.50 N ATOM 1726 CA VAL A 104 1.888 -3.450 -11.320 1.00 33.04 C ATOM 1727 C VAL A 104 0.734 -2.442 -11.306 1.00 41.30 C ATOM 1728 O VAL A 104 0.840 -1.355 -11.888 1.00 42.52 O ATOM 1729 CB VAL A 104 3.024 -3.010 -10.334 1.00 40.04 C ATOM 1730 CG1 VAL A 104 2.504 -2.813 -8.888 1.00 21.22 C ATOM 1731 CG2 VAL A 104 4.182 -4.033 -10.392 1.00 63.34 C ATOM 0 H VAL A 104 3.282 -3.023 -12.815 1.00 73.50 H new ATOM 0 HA VAL A 104 1.507 -4.419 -10.996 1.00 33.04 H new ATOM 0 HB VAL A 104 3.396 -2.036 -10.653 1.00 40.04 H new ATOM 0 HG11 VAL A 104 3.328 -2.509 -8.243 1.00 21.22 H new ATOM 0 HG12 VAL A 104 1.733 -2.042 -8.880 1.00 21.22 H new ATOM 0 HG13 VAL A 104 2.084 -3.750 -8.522 1.00 21.22 H new ATOM 0 HG21 VAL A 104 4.972 -3.727 -9.706 1.00 63.34 H new ATOM 0 HG22 VAL A 104 3.813 -5.017 -10.104 1.00 63.34 H new ATOM 0 HG23 VAL A 104 4.579 -4.077 -11.406 1.00 63.34 H new ATOM 1741 N ASP A 105 -0.361 -2.803 -10.629 1.00 10.42 N ATOM 1742 CA ASP A 105 -1.598 -2.020 -10.640 1.00 22.04 C ATOM 1743 C ASP A 105 -1.646 -1.042 -9.473 1.00 41.44 C ATOM 1744 O ASP A 105 -1.719 -1.426 -8.304 1.00 75.12 O ATOM 1745 CB ASP A 105 -2.822 -2.957 -10.657 1.00 11.01 C ATOM 1746 CG ASP A 105 -3.009 -3.578 -12.047 1.00 13.01 C ATOM 1747 OD1 ASP A 105 -3.430 -2.841 -12.975 1.00 21.43 O ATOM 1748 OD2 ASP A 105 -2.691 -4.772 -12.233 1.00 25.10 O ATOM 0 H ASP A 105 -0.413 -3.647 -10.058 1.00 10.42 H new ATOM 0 HA ASP A 105 -1.621 -1.422 -11.551 1.00 22.04 H new ATOM 0 HB2 ASP A 105 -2.693 -3.745 -9.915 1.00 11.01 H new ATOM 0 HB3 ASP A 105 -3.717 -2.400 -10.378 1.00 11.01 H new ATOM 1753 N VAL A 106 -1.571 0.231 -9.838 1.00 24.32 N ATOM 1754 CA VAL A 106 -1.733 1.360 -8.935 1.00 53.21 C ATOM 1755 C VAL A 106 -3.207 1.812 -8.943 1.00 43.54 C ATOM 1756 O VAL A 106 -3.827 1.951 -10.012 1.00 31.44 O ATOM 1757 CB VAL A 106 -0.764 2.534 -9.338 1.00 62.53 C ATOM 1758 CG1 VAL A 106 -0.780 2.825 -10.852 1.00 51.25 C ATOM 1759 CG2 VAL A 106 -1.069 3.800 -8.536 1.00 11.22 C ATOM 0 H VAL A 106 -1.390 0.514 -10.801 1.00 24.32 H new ATOM 0 HA VAL A 106 -1.469 1.058 -7.921 1.00 53.21 H new ATOM 0 HB VAL A 106 0.245 2.203 -9.091 1.00 62.53 H new ATOM 0 HG11 VAL A 106 -0.094 3.643 -11.073 1.00 51.25 H new ATOM 0 HG12 VAL A 106 -0.469 1.934 -11.397 1.00 51.25 H new ATOM 0 HG13 VAL A 106 -1.788 3.104 -11.158 1.00 51.25 H new ATOM 0 HG21 VAL A 106 -0.385 4.594 -8.835 1.00 11.22 H new ATOM 0 HG22 VAL A 106 -2.095 4.114 -8.728 1.00 11.22 H new ATOM 0 HG23 VAL A 106 -0.945 3.596 -7.473 1.00 11.22 H new ATOM 1769 N ARG A 107 -3.774 1.995 -7.741 1.00 13.34 N ATOM 1770 CA ARG A 107 -5.163 2.428 -7.557 1.00 13.32 C ATOM 1771 C ARG A 107 -5.193 3.879 -7.059 1.00 11.23 C ATOM 1772 O ARG A 107 -4.818 4.153 -5.915 1.00 53.21 O ATOM 1773 CB ARG A 107 -5.875 1.477 -6.547 1.00 52.21 C ATOM 1774 CG ARG A 107 -5.835 -0.036 -6.906 1.00 54.05 C ATOM 1775 CD ARG A 107 -6.728 -0.430 -8.107 1.00 21.41 C ATOM 1776 NE ARG A 107 -6.362 0.280 -9.344 1.00 70.42 N ATOM 1777 CZ ARG A 107 -7.223 0.887 -10.183 1.00 14.30 C ATOM 1778 NH1 ARG A 107 -8.533 0.861 -9.961 1.00 33.34 N ATOM 1779 NH2 ARG A 107 -6.753 1.564 -11.213 1.00 43.34 N ATOM 0 H ARG A 107 -3.275 1.845 -6.864 1.00 13.34 H new ATOM 0 HA ARG A 107 -5.692 2.382 -8.509 1.00 13.32 H new ATOM 0 HB2 ARG A 107 -5.420 1.611 -5.566 1.00 52.21 H new ATOM 0 HB3 ARG A 107 -6.917 1.784 -6.459 1.00 52.21 H new ATOM 0 HG2 ARG A 107 -4.805 -0.318 -7.126 1.00 54.05 H new ATOM 0 HG3 ARG A 107 -6.144 -0.613 -6.034 1.00 54.05 H new ATOM 0 HD2 ARG A 107 -6.652 -1.505 -8.274 1.00 21.41 H new ATOM 0 HD3 ARG A 107 -7.769 -0.217 -7.865 1.00 21.41 H new ATOM 0 HE ARG A 107 -5.372 0.315 -9.586 1.00 70.42 H new ATOM 0 HH11 ARG A 107 -8.902 0.375 -9.144 1.00 33.34 H new ATOM 0 HH12 ARG A 107 -9.169 1.327 -10.608 1.00 33.34 H new ATOM 0 HH21 ARG A 107 -5.747 1.624 -11.368 1.00 43.34 H new ATOM 0 HH22 ARG A 107 -7.396 2.028 -11.855 1.00 43.34 H new ATOM 1793 N VAL A 108 -5.617 4.808 -7.930 1.00 71.21 N ATOM 1794 CA VAL A 108 -5.819 6.218 -7.562 1.00 12.31 C ATOM 1795 C VAL A 108 -7.320 6.494 -7.398 1.00 25.13 C ATOM 1796 O VAL A 108 -8.107 6.365 -8.344 1.00 22.50 O ATOM 1797 CB VAL A 108 -5.165 7.226 -8.589 1.00 31.11 C ATOM 1798 CG1 VAL A 108 -3.628 7.268 -8.415 1.00 21.31 C ATOM 1799 CG2 VAL A 108 -5.555 6.889 -10.054 1.00 51.24 C ATOM 0 H VAL A 108 -5.829 4.604 -8.907 1.00 71.21 H new ATOM 0 HA VAL A 108 -5.309 6.386 -6.614 1.00 12.31 H new ATOM 0 HB VAL A 108 -5.559 8.219 -8.372 1.00 31.11 H new ATOM 0 HG11 VAL A 108 -3.200 7.968 -9.132 1.00 21.31 H new ATOM 0 HG12 VAL A 108 -3.385 7.591 -7.403 1.00 21.31 H new ATOM 0 HG13 VAL A 108 -3.215 6.274 -8.587 1.00 21.31 H new ATOM 0 HG21 VAL A 108 -5.086 7.605 -10.729 1.00 51.24 H new ATOM 0 HG22 VAL A 108 -5.215 5.883 -10.299 1.00 51.24 H new ATOM 0 HG23 VAL A 108 -6.638 6.943 -10.164 1.00 51.24 H new ATOM 1809 N THR A 109 -7.705 6.826 -6.168 1.00 65.31 N ATOM 1810 CA THR A 109 -9.084 7.164 -5.814 1.00 12.23 C ATOM 1811 C THR A 109 -9.330 8.679 -5.937 1.00 44.25 C ATOM 1812 O THR A 109 -10.485 9.120 -5.908 1.00 33.15 O ATOM 1813 CB THR A 109 -9.364 6.692 -4.367 1.00 21.03 C ATOM 1814 OG1 THR A 109 -8.373 7.251 -3.490 1.00 14.55 O ATOM 1815 CG2 THR A 109 -9.344 5.152 -4.255 1.00 33.23 C ATOM 0 H THR A 109 -7.061 6.869 -5.378 1.00 65.31 H new ATOM 0 HA THR A 109 -9.761 6.660 -6.504 1.00 12.23 H new ATOM 0 HB THR A 109 -10.359 7.033 -4.083 1.00 21.03 H new ATOM 0 HG1 THR A 109 -8.735 8.052 -3.056 1.00 14.55 H new ATOM 0 HG21 THR A 109 -9.545 4.860 -3.224 1.00 33.23 H new ATOM 0 HG22 THR A 109 -10.108 4.730 -4.907 1.00 33.23 H new ATOM 0 HG23 THR A 109 -8.365 4.778 -4.554 1.00 33.23 H new ATOM 1823 N ASP A 110 -8.211 9.441 -6.064 1.00 0.12 N ATOM 1824 CA ASP A 110 -8.167 10.916 -6.148 1.00 21.14 C ATOM 1825 C ASP A 110 -8.542 11.553 -4.793 1.00 74.45 C ATOM 1826 O ASP A 110 -7.688 12.119 -4.110 1.00 25.12 O ATOM 1827 CB ASP A 110 -9.025 11.480 -7.323 1.00 20.21 C ATOM 1828 CG ASP A 110 -8.885 13.011 -7.523 1.00 72.24 C ATOM 1829 OD1 ASP A 110 -9.645 13.777 -6.891 1.00 1.20 O ATOM 1830 OD2 ASP A 110 -8.039 13.449 -8.338 1.00 53.24 O ATOM 0 H ASP A 110 -7.282 9.023 -6.112 1.00 0.12 H new ATOM 0 HA ASP A 110 -7.138 11.196 -6.375 1.00 21.14 H new ATOM 0 HB2 ASP A 110 -8.737 10.975 -8.245 1.00 20.21 H new ATOM 0 HB3 ASP A 110 -10.073 11.241 -7.142 1.00 20.21 H new ATOM 1835 N ASN A 111 -9.823 11.428 -4.414 1.00 71.23 N ATOM 1836 CA ASN A 111 -10.364 11.959 -3.147 1.00 31.21 C ATOM 1837 C ASN A 111 -10.007 11.034 -1.955 1.00 65.12 C ATOM 1838 O ASN A 111 -9.579 9.880 -2.137 1.00 23.50 O ATOM 1839 CB ASN A 111 -11.905 12.111 -3.245 1.00 11.32 C ATOM 1840 CG ASN A 111 -12.418 12.924 -4.443 1.00 62.31 C ATOM 1841 OD1 ASN A 111 -13.504 12.655 -4.960 1.00 12.52 O ATOM 1842 ND2 ASN A 111 -11.674 13.930 -4.872 1.00 41.30 N ATOM 0 H ASN A 111 -10.522 10.951 -4.983 1.00 71.23 H new ATOM 0 HA ASN A 111 -9.913 12.936 -2.973 1.00 31.21 H new ATOM 0 HB2 ASN A 111 -12.348 11.116 -3.288 1.00 11.32 H new ATOM 0 HB3 ASN A 111 -12.265 12.581 -2.330 1.00 11.32 H new ATOM 0 HD21 ASN A 111 -11.995 14.506 -5.650 1.00 41.30 H new ATOM 0 HD22 ASN A 111 -10.779 14.129 -4.425 1.00 41.30 H new ATOM 1849 N GLU A 112 -10.240 11.557 -0.737 1.00 1.45 N ATOM 1850 CA GLU A 112 -9.859 10.909 0.546 1.00 15.24 C ATOM 1851 C GLU A 112 -10.865 9.801 0.935 1.00 5.11 C ATOM 1852 O GLU A 112 -10.473 8.654 1.207 1.00 61.41 O ATOM 1853 CB GLU A 112 -9.809 11.987 1.667 1.00 40.32 C ATOM 1854 CG GLU A 112 -8.920 13.207 1.349 1.00 13.12 C ATOM 1855 CD GLU A 112 -9.091 14.344 2.374 1.00 52.24 C ATOM 1856 OE1 GLU A 112 -8.509 14.265 3.474 1.00 54.11 O ATOM 1857 OE2 GLU A 112 -9.826 15.315 2.090 1.00 1.14 O ATOM 0 H GLU A 112 -10.705 12.455 -0.607 1.00 1.45 H new ATOM 0 HA GLU A 112 -8.879 10.447 0.424 1.00 15.24 H new ATOM 0 HB2 GLU A 112 -10.823 12.335 1.863 1.00 40.32 H new ATOM 0 HB3 GLU A 112 -9.449 11.521 2.584 1.00 40.32 H new ATOM 0 HG2 GLU A 112 -7.876 12.896 1.327 1.00 13.12 H new ATOM 0 HG3 GLU A 112 -9.162 13.580 0.354 1.00 13.12 H new ATOM 1864 N ASP A 113 -12.167 10.177 0.939 1.00 40.24 N ATOM 1865 CA ASP A 113 -13.293 9.295 1.338 1.00 33.25 C ATOM 1866 C ASP A 113 -13.373 8.042 0.456 1.00 41.23 C ATOM 1867 O ASP A 113 -13.775 6.977 0.930 1.00 31.01 O ATOM 1868 CB ASP A 113 -14.646 10.075 1.300 1.00 63.23 C ATOM 1869 CG ASP A 113 -15.881 9.184 1.601 1.00 33.30 C ATOM 1870 OD1 ASP A 113 -16.156 8.893 2.787 1.00 13.31 O ATOM 1871 OD2 ASP A 113 -16.572 8.759 0.648 1.00 61.10 O ATOM 0 H ASP A 113 -12.469 11.111 0.662 1.00 40.24 H new ATOM 0 HA ASP A 113 -13.104 8.969 2.361 1.00 33.25 H new ATOM 0 HB2 ASP A 113 -14.609 10.888 2.025 1.00 63.23 H new ATOM 0 HB3 ASP A 113 -14.767 10.530 0.317 1.00 63.23 H new ATOM 1876 N GLU A 114 -12.965 8.174 -0.813 1.00 11.13 N ATOM 1877 CA GLU A 114 -13.036 7.072 -1.786 1.00 25.22 C ATOM 1878 C GLU A 114 -12.018 5.969 -1.446 1.00 54.32 C ATOM 1879 O GLU A 114 -12.313 4.784 -1.586 1.00 54.32 O ATOM 1880 CB GLU A 114 -12.814 7.578 -3.229 1.00 44.02 C ATOM 1881 CG GLU A 114 -13.534 8.893 -3.577 1.00 51.14 C ATOM 1882 CD GLU A 114 -15.061 8.819 -3.475 1.00 65.25 C ATOM 1883 OE1 GLU A 114 -15.691 8.264 -4.399 1.00 14.51 O ATOM 1884 OE2 GLU A 114 -15.640 9.306 -2.475 1.00 55.12 O ATOM 0 H GLU A 114 -12.580 9.038 -1.193 1.00 11.13 H new ATOM 0 HA GLU A 114 -14.039 6.649 -1.725 1.00 25.22 H new ATOM 0 HB2 GLU A 114 -11.744 7.714 -3.389 1.00 44.02 H new ATOM 0 HB3 GLU A 114 -13.145 6.806 -3.923 1.00 44.02 H new ATOM 0 HG2 GLU A 114 -13.174 9.678 -2.912 1.00 51.14 H new ATOM 0 HG3 GLU A 114 -13.263 9.185 -4.591 1.00 51.14 H new ATOM 1891 N ALA A 115 -10.819 6.391 -0.998 1.00 63.44 N ATOM 1892 CA ALA A 115 -9.751 5.466 -0.553 1.00 44.11 C ATOM 1893 C ALA A 115 -10.125 4.828 0.794 1.00 71.30 C ATOM 1894 O ALA A 115 -9.828 3.657 1.048 1.00 53.10 O ATOM 1895 CB ALA A 115 -8.413 6.213 -0.453 1.00 11.41 C ATOM 0 H ALA A 115 -10.562 7.376 -0.934 1.00 63.44 H new ATOM 0 HA ALA A 115 -9.644 4.668 -1.288 1.00 44.11 H new ATOM 0 HB1 ALA A 115 -7.635 5.524 -0.125 1.00 11.41 H new ATOM 0 HB2 ALA A 115 -8.149 6.620 -1.429 1.00 11.41 H new ATOM 0 HB3 ALA A 115 -8.503 7.027 0.267 1.00 11.41 H new ATOM 1901 N LYS A 116 -10.801 5.631 1.628 1.00 21.24 N ATOM 1902 CA LYS A 116 -11.301 5.228 2.951 1.00 43.41 C ATOM 1903 C LYS A 116 -12.320 4.070 2.830 1.00 31.32 C ATOM 1904 O LYS A 116 -12.083 2.995 3.380 1.00 60.12 O ATOM 1905 CB LYS A 116 -11.859 6.514 3.658 1.00 1.25 C ATOM 1906 CG LYS A 116 -12.834 6.323 4.855 1.00 72.11 C ATOM 1907 CD LYS A 116 -14.310 6.494 4.440 1.00 1.44 C ATOM 1908 CE LYS A 116 -15.268 6.477 5.633 1.00 70.31 C ATOM 1909 NZ LYS A 116 -16.658 6.786 5.211 1.00 21.31 N ATOM 0 H LYS A 116 -11.020 6.600 1.397 1.00 21.24 H new ATOM 0 HA LYS A 116 -10.505 4.821 3.574 1.00 43.41 H new ATOM 0 HB2 LYS A 116 -11.008 7.098 4.010 1.00 1.25 H new ATOM 0 HB3 LYS A 116 -12.368 7.115 2.905 1.00 1.25 H new ATOM 0 HG2 LYS A 116 -12.692 5.330 5.282 1.00 72.11 H new ATOM 0 HG3 LYS A 116 -12.593 7.044 5.636 1.00 72.11 H new ATOM 0 HD2 LYS A 116 -14.424 7.435 3.902 1.00 1.44 H new ATOM 0 HD3 LYS A 116 -14.583 5.696 3.749 1.00 1.44 H new ATOM 0 HE2 LYS A 116 -15.240 5.498 6.111 1.00 70.31 H new ATOM 0 HE3 LYS A 116 -14.941 7.204 6.376 1.00 70.31 H new ATOM 0 HZ1 LYS A 116 -17.181 7.195 6.011 1.00 21.31 H new ATOM 0 HZ2 LYS A 116 -16.639 7.467 4.425 1.00 21.31 H new ATOM 0 HZ3 LYS A 116 -17.129 5.912 4.900 1.00 21.31 H new ATOM 1923 N LYS A 117 -13.391 4.255 2.031 1.00 70.13 N ATOM 1924 CA LYS A 117 -14.412 3.197 1.798 1.00 72.13 C ATOM 1925 C LYS A 117 -13.811 1.967 1.093 1.00 41.24 C ATOM 1926 O LYS A 117 -14.269 0.831 1.310 1.00 43.24 O ATOM 1927 CB LYS A 117 -15.632 3.716 0.978 1.00 2.21 C ATOM 1928 CG LYS A 117 -15.292 4.490 -0.322 1.00 54.31 C ATOM 1929 CD LYS A 117 -16.426 4.432 -1.385 1.00 52.21 C ATOM 1930 CE LYS A 117 -16.512 5.679 -2.278 1.00 72.45 C ATOM 1931 NZ LYS A 117 -16.897 6.897 -1.514 1.00 21.04 N ATOM 0 H LYS A 117 -13.577 5.126 1.533 1.00 70.13 H new ATOM 0 HA LYS A 117 -14.763 2.904 2.787 1.00 72.13 H new ATOM 0 HB2 LYS A 117 -16.259 2.864 0.717 1.00 2.21 H new ATOM 0 HB3 LYS A 117 -16.227 4.365 1.620 1.00 2.21 H new ATOM 0 HG2 LYS A 117 -15.088 5.532 -0.074 1.00 54.31 H new ATOM 0 HG3 LYS A 117 -14.378 4.080 -0.752 1.00 54.31 H new ATOM 0 HD2 LYS A 117 -16.274 3.556 -2.016 1.00 52.21 H new ATOM 0 HD3 LYS A 117 -17.380 4.296 -0.876 1.00 52.21 H new ATOM 0 HE2 LYS A 117 -15.548 5.845 -2.760 1.00 72.45 H new ATOM 0 HE3 LYS A 117 -17.239 5.506 -3.071 1.00 72.45 H new ATOM 0 HZ1 LYS A 117 -17.736 7.330 -1.950 1.00 21.04 H new ATOM 0 HZ2 LYS A 117 -17.114 6.636 -0.531 1.00 21.04 H new ATOM 0 HZ3 LYS A 117 -16.111 7.577 -1.526 1.00 21.04 H new ATOM 1945 N ARG A 118 -12.794 2.220 0.245 1.00 14.15 N ATOM 1946 CA ARG A 118 -12.164 1.188 -0.579 1.00 10.32 C ATOM 1947 C ARG A 118 -11.492 0.129 0.303 1.00 1.20 C ATOM 1948 O ARG A 118 -11.781 -1.060 0.164 1.00 4.21 O ATOM 1949 CB ARG A 118 -11.123 1.823 -1.557 1.00 1.24 C ATOM 1950 CG ARG A 118 -10.840 0.999 -2.836 1.00 14.33 C ATOM 1951 CD ARG A 118 -12.001 1.051 -3.860 1.00 72.25 C ATOM 1952 NE ARG A 118 -13.240 0.377 -3.381 1.00 55.33 N ATOM 1953 CZ ARG A 118 -14.475 0.930 -3.328 1.00 60.13 C ATOM 1954 NH1 ARG A 118 -14.689 2.178 -3.725 1.00 54.52 N ATOM 1955 NH2 ARG A 118 -15.480 0.227 -2.844 1.00 62.33 N ATOM 0 H ARG A 118 -12.392 3.149 0.118 1.00 14.15 H new ATOM 0 HA ARG A 118 -12.941 0.703 -1.170 1.00 10.32 H new ATOM 0 HB2 ARG A 118 -11.478 2.811 -1.851 1.00 1.24 H new ATOM 0 HB3 ARG A 118 -10.185 1.968 -1.021 1.00 1.24 H new ATOM 0 HG2 ARG A 118 -9.930 1.371 -3.307 1.00 14.33 H new ATOM 0 HG3 ARG A 118 -10.654 -0.039 -2.559 1.00 14.33 H new ATOM 0 HD2 ARG A 118 -12.228 2.092 -4.089 1.00 72.25 H new ATOM 0 HD3 ARG A 118 -11.677 0.583 -4.790 1.00 72.25 H new ATOM 0 HE ARG A 118 -13.150 -0.588 -3.064 1.00 55.33 H new ATOM 0 HH11 ARG A 118 -13.915 2.740 -4.079 1.00 54.52 H new ATOM 0 HH12 ARG A 118 -15.627 2.575 -3.677 1.00 54.52 H new ATOM 0 HH21 ARG A 118 -15.324 -0.725 -2.513 1.00 62.33 H new ATOM 0 HH22 ARG A 118 -16.414 0.635 -2.800 1.00 62.33 H new ATOM 1969 N LEU A 119 -10.666 0.606 1.259 1.00 35.40 N ATOM 1970 CA LEU A 119 -9.824 -0.249 2.124 1.00 35.03 C ATOM 1971 C LEU A 119 -10.645 -1.270 2.925 1.00 35.11 C ATOM 1972 O LEU A 119 -10.216 -2.413 3.091 1.00 63.32 O ATOM 1973 CB LEU A 119 -8.966 0.613 3.087 1.00 73.01 C ATOM 1974 CG LEU A 119 -7.812 1.427 2.425 1.00 22.11 C ATOM 1975 CD1 LEU A 119 -7.055 2.257 3.476 1.00 52.34 C ATOM 1976 CD2 LEU A 119 -6.844 0.501 1.652 1.00 14.15 C ATOM 0 H LEU A 119 -10.564 1.602 1.454 1.00 35.40 H new ATOM 0 HA LEU A 119 -9.167 -0.808 1.458 1.00 35.03 H new ATOM 0 HB2 LEU A 119 -9.625 1.309 3.606 1.00 73.01 H new ATOM 0 HB3 LEU A 119 -8.535 -0.042 3.844 1.00 73.01 H new ATOM 0 HG LEU A 119 -8.259 2.114 1.706 1.00 22.11 H new ATOM 0 HD11 LEU A 119 -6.255 2.816 2.991 1.00 52.34 H new ATOM 0 HD12 LEU A 119 -7.744 2.952 3.956 1.00 52.34 H new ATOM 0 HD13 LEU A 119 -6.629 1.592 4.227 1.00 52.34 H new ATOM 0 HD21 LEU A 119 -6.051 1.098 1.202 1.00 14.15 H new ATOM 0 HD22 LEU A 119 -6.407 -0.224 2.339 1.00 14.15 H new ATOM 0 HD23 LEU A 119 -7.391 -0.025 0.869 1.00 14.15 H new ATOM 1988 N LYS A 120 -11.832 -0.857 3.395 1.00 71.24 N ATOM 1989 CA LYS A 120 -12.709 -1.734 4.187 1.00 75.14 C ATOM 1990 C LYS A 120 -13.162 -2.934 3.339 1.00 31.30 C ATOM 1991 O LYS A 120 -13.010 -4.092 3.750 1.00 74.45 O ATOM 1992 CB LYS A 120 -13.942 -0.957 4.712 1.00 21.21 C ATOM 1993 CG LYS A 120 -14.703 -1.694 5.834 1.00 54.22 C ATOM 1994 CD LYS A 120 -15.895 -0.885 6.391 1.00 23.30 C ATOM 1995 CE LYS A 120 -16.994 -0.634 5.344 1.00 1.31 C ATOM 1996 NZ LYS A 120 -17.560 -1.903 4.801 1.00 53.40 N ATOM 0 H LYS A 120 -12.207 0.079 3.240 1.00 71.24 H new ATOM 0 HA LYS A 120 -12.144 -2.097 5.045 1.00 75.14 H new ATOM 0 HB2 LYS A 120 -13.618 0.016 5.082 1.00 21.21 H new ATOM 0 HB3 LYS A 120 -14.624 -0.771 3.883 1.00 21.21 H new ATOM 0 HG2 LYS A 120 -15.066 -2.648 5.452 1.00 54.22 H new ATOM 0 HG3 LYS A 120 -14.012 -1.918 6.647 1.00 54.22 H new ATOM 0 HD2 LYS A 120 -16.324 -1.418 7.239 1.00 23.30 H new ATOM 0 HD3 LYS A 120 -15.533 0.072 6.766 1.00 23.30 H new ATOM 0 HE2 LYS A 120 -17.794 -0.046 5.794 1.00 1.31 H new ATOM 0 HE3 LYS A 120 -16.584 -0.042 4.526 1.00 1.31 H new ATOM 0 HZ1 LYS A 120 -18.363 -1.686 4.177 1.00 53.40 H new ATOM 0 HZ2 LYS A 120 -16.828 -2.406 4.260 1.00 53.40 H new ATOM 0 HZ3 LYS A 120 -17.884 -2.503 5.586 1.00 53.40 H new ATOM 2010 N GLU A 121 -13.638 -2.614 2.124 1.00 53.40 N ATOM 2011 CA GLU A 121 -14.138 -3.594 1.139 1.00 42.10 C ATOM 2012 C GLU A 121 -13.035 -4.585 0.709 1.00 21.13 C ATOM 2013 O GLU A 121 -13.317 -5.771 0.460 1.00 53.12 O ATOM 2014 CB GLU A 121 -14.680 -2.844 -0.102 1.00 11.22 C ATOM 2015 CG GLU A 121 -15.211 -3.758 -1.225 1.00 21.55 C ATOM 2016 CD GLU A 121 -15.481 -2.994 -2.519 1.00 0.25 C ATOM 2017 OE1 GLU A 121 -14.513 -2.495 -3.121 1.00 55.31 O ATOM 2018 OE2 GLU A 121 -16.655 -2.845 -2.919 1.00 42.54 O ATOM 0 H GLU A 121 -13.688 -1.651 1.791 1.00 53.40 H new ATOM 0 HA GLU A 121 -14.936 -4.169 1.608 1.00 42.10 H new ATOM 0 HB2 GLU A 121 -15.482 -2.177 0.215 1.00 11.22 H new ATOM 0 HB3 GLU A 121 -13.885 -2.217 -0.507 1.00 11.22 H new ATOM 0 HG2 GLU A 121 -14.487 -4.550 -1.418 1.00 21.55 H new ATOM 0 HG3 GLU A 121 -16.130 -4.241 -0.893 1.00 21.55 H new ATOM 2025 N LEU A 122 -11.787 -4.078 0.623 1.00 54.52 N ATOM 2026 CA LEU A 122 -10.617 -4.888 0.241 1.00 54.22 C ATOM 2027 C LEU A 122 -10.420 -6.035 1.233 1.00 54.40 C ATOM 2028 O LEU A 122 -10.347 -7.190 0.836 1.00 1.04 O ATOM 2029 CB LEU A 122 -9.331 -4.027 0.177 1.00 52.31 C ATOM 2030 CG LEU A 122 -9.376 -2.793 -0.767 1.00 62.12 C ATOM 2031 CD1 LEU A 122 -8.008 -2.111 -0.861 1.00 10.10 C ATOM 2032 CD2 LEU A 122 -9.918 -3.149 -2.157 1.00 41.24 C ATOM 0 H LEU A 122 -11.566 -3.101 0.816 1.00 54.52 H new ATOM 0 HA LEU A 122 -10.806 -5.295 -0.752 1.00 54.22 H new ATOM 0 HB2 LEU A 122 -9.101 -3.679 1.184 1.00 52.31 H new ATOM 0 HB3 LEU A 122 -8.506 -4.667 -0.135 1.00 52.31 H new ATOM 0 HG LEU A 122 -10.073 -2.081 -0.325 1.00 62.12 H new ATOM 0 HD11 LEU A 122 -8.075 -1.252 -1.529 1.00 10.10 H new ATOM 0 HD12 LEU A 122 -7.699 -1.777 0.130 1.00 10.10 H new ATOM 0 HD13 LEU A 122 -7.275 -2.818 -1.251 1.00 10.10 H new ATOM 0 HD21 LEU A 122 -9.931 -2.256 -2.782 1.00 41.24 H new ATOM 0 HD22 LEU A 122 -9.278 -3.903 -2.615 1.00 41.24 H new ATOM 0 HD23 LEU A 122 -10.931 -3.541 -2.063 1.00 41.24 H new ATOM 2044 N LEU A 123 -10.399 -5.679 2.525 1.00 10.23 N ATOM 2045 CA LEU A 123 -10.212 -6.630 3.645 1.00 4.51 C ATOM 2046 C LEU A 123 -11.352 -7.656 3.731 1.00 22.12 C ATOM 2047 O LEU A 123 -11.137 -8.786 4.185 1.00 10.11 O ATOM 2048 CB LEU A 123 -10.099 -5.861 4.989 1.00 32.12 C ATOM 2049 CG LEU A 123 -8.694 -5.299 5.369 1.00 0.20 C ATOM 2050 CD1 LEU A 123 -8.095 -4.354 4.301 1.00 43.43 C ATOM 2051 CD2 LEU A 123 -8.795 -4.604 6.727 1.00 74.14 C ATOM 0 H LEU A 123 -10.512 -4.713 2.832 1.00 10.23 H new ATOM 0 HA LEU A 123 -9.288 -7.175 3.453 1.00 4.51 H new ATOM 0 HB2 LEU A 123 -10.801 -5.028 4.962 1.00 32.12 H new ATOM 0 HB3 LEU A 123 -10.425 -6.527 5.788 1.00 32.12 H new ATOM 0 HG LEU A 123 -8.003 -6.140 5.424 1.00 0.20 H new ATOM 0 HD11 LEU A 123 -7.118 -4.002 4.633 1.00 43.43 H new ATOM 0 HD12 LEU A 123 -7.986 -4.892 3.359 1.00 43.43 H new ATOM 0 HD13 LEU A 123 -8.758 -3.501 4.157 1.00 43.43 H new ATOM 0 HD21 LEU A 123 -7.819 -4.206 7.005 1.00 74.14 H new ATOM 0 HD22 LEU A 123 -9.516 -3.788 6.666 1.00 74.14 H new ATOM 0 HD23 LEU A 123 -9.122 -5.321 7.479 1.00 74.14 H new ATOM 2063 N GLU A 124 -12.557 -7.239 3.310 1.00 45.42 N ATOM 2064 CA GLU A 124 -13.746 -8.119 3.257 1.00 70.20 C ATOM 2065 C GLU A 124 -13.539 -9.266 2.241 1.00 63.40 C ATOM 2066 O GLU A 124 -14.187 -10.314 2.340 1.00 4.24 O ATOM 2067 CB GLU A 124 -15.022 -7.291 2.938 1.00 74.33 C ATOM 2068 CG GLU A 124 -15.361 -6.233 4.011 1.00 53.42 C ATOM 2069 CD GLU A 124 -16.650 -5.443 3.727 1.00 33.35 C ATOM 2070 OE1 GLU A 124 -17.746 -6.041 3.809 1.00 12.41 O ATOM 2071 OE2 GLU A 124 -16.581 -4.223 3.441 1.00 45.44 O ATOM 0 H GLU A 124 -12.739 -6.286 2.997 1.00 45.42 H new ATOM 0 HA GLU A 124 -13.884 -8.576 4.237 1.00 70.20 H new ATOM 0 HB2 GLU A 124 -14.890 -6.792 1.978 1.00 74.33 H new ATOM 0 HB3 GLU A 124 -15.868 -7.970 2.831 1.00 74.33 H new ATOM 0 HG2 GLU A 124 -15.456 -6.728 4.977 1.00 53.42 H new ATOM 0 HG3 GLU A 124 -14.529 -5.533 4.092 1.00 53.42 H new ATOM 2078 N LYS A 125 -12.645 -9.044 1.253 1.00 14.35 N ATOM 2079 CA LYS A 125 -12.161 -10.099 0.343 1.00 4.41 C ATOM 2080 C LYS A 125 -10.696 -10.465 0.688 1.00 72.12 C ATOM 2081 O LYS A 125 -10.453 -11.377 1.485 1.00 55.44 O ATOM 2082 CB LYS A 125 -12.329 -9.665 -1.144 1.00 24.52 C ATOM 2083 CG LYS A 125 -13.800 -9.475 -1.568 1.00 63.13 C ATOM 2084 CD LYS A 125 -13.984 -9.242 -3.080 1.00 54.21 C ATOM 2085 CE LYS A 125 -13.419 -7.904 -3.576 1.00 62.10 C ATOM 2086 NZ LYS A 125 -13.673 -7.732 -5.033 1.00 4.50 N ATOM 0 H LYS A 125 -12.240 -8.127 1.066 1.00 14.35 H new ATOM 0 HA LYS A 125 -12.765 -10.996 0.479 1.00 4.41 H new ATOM 0 HB2 LYS A 125 -11.790 -8.732 -1.305 1.00 24.52 H new ATOM 0 HB3 LYS A 125 -11.868 -10.415 -1.787 1.00 24.52 H new ATOM 0 HG2 LYS A 125 -14.370 -10.356 -1.273 1.00 63.13 H new ATOM 0 HG3 LYS A 125 -14.219 -8.628 -1.025 1.00 63.13 H new ATOM 0 HD2 LYS A 125 -13.501 -10.053 -3.624 1.00 54.21 H new ATOM 0 HD3 LYS A 125 -15.047 -9.287 -3.318 1.00 54.21 H new ATOM 0 HE2 LYS A 125 -13.876 -7.083 -3.023 1.00 62.10 H new ATOM 0 HE3 LYS A 125 -12.347 -7.862 -3.381 1.00 62.10 H new ATOM 0 HZ1 LYS A 125 -13.283 -6.821 -5.348 1.00 4.50 H new ATOM 0 HZ2 LYS A 125 -13.216 -8.505 -5.559 1.00 4.50 H new ATOM 0 HZ3 LYS A 125 -14.697 -7.750 -5.211 1.00 4.50 H new ATOM 2100 N VAL A 126 -9.725 -9.721 0.104 1.00 25.04 N ATOM 2101 CA VAL A 126 -8.269 -9.910 0.329 1.00 44.20 C ATOM 2102 C VAL A 126 -7.604 -8.518 0.364 1.00 11.33 C ATOM 2103 O VAL A 126 -7.256 -7.997 1.429 1.00 13.34 O ATOM 2104 CB VAL A 126 -7.582 -10.803 -0.794 1.00 55.33 C ATOM 2105 CG1 VAL A 126 -6.061 -10.959 -0.538 1.00 10.44 C ATOM 2106 CG2 VAL A 126 -8.267 -12.186 -0.926 1.00 32.52 C ATOM 0 H VAL A 126 -9.933 -8.962 -0.545 1.00 25.04 H new ATOM 0 HA VAL A 126 -8.136 -10.439 1.273 1.00 44.20 H new ATOM 0 HB VAL A 126 -7.711 -10.282 -1.742 1.00 55.33 H new ATOM 0 HG11 VAL A 126 -5.621 -11.574 -1.323 1.00 10.44 H new ATOM 0 HG12 VAL A 126 -5.589 -9.976 -0.540 1.00 10.44 H new ATOM 0 HG13 VAL A 126 -5.902 -11.436 0.429 1.00 10.44 H new ATOM 0 HG21 VAL A 126 -7.769 -12.766 -1.703 1.00 32.52 H new ATOM 0 HG22 VAL A 126 -8.199 -12.718 0.023 1.00 32.52 H new ATOM 0 HG23 VAL A 126 -9.315 -12.049 -1.191 1.00 32.52 H new ATOM 2116 N GLY A 127 -7.516 -7.899 -0.821 1.00 32.02 N ATOM 2117 CA GLY A 127 -6.824 -6.624 -0.998 1.00 53.42 C ATOM 2118 C GLY A 127 -6.882 -6.174 -2.446 1.00 74.32 C ATOM 2119 O GLY A 127 -7.020 -4.982 -2.734 1.00 54.42 O ATOM 0 H GLY A 127 -7.923 -8.270 -1.679 1.00 32.02 H new ATOM 0 HA2 GLY A 127 -7.279 -5.867 -0.359 1.00 53.42 H new ATOM 0 HA3 GLY A 127 -5.785 -6.723 -0.685 1.00 53.42 H new