USER MOD reduce.3.24.130724 H: found=0, std=0, add=799, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 800 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 71 ASN : amide:sc= 0.337 K(o=0.51,f=-4.3!) USER MOD Set 1.2: A 74 LYS NZ :NH3+ -123:sc= 0.173 (180deg=-0.118) USER MOD Set 2.1: A 63 GLN : amide:sc= 0.0361 X(o=-0.88,f=-1.1) USER MOD Set 2.2: A 64 ASN : amide:sc= -0.0063 K(o=-0.88,f=-2) USER MOD Set 2.3: A 67 ASN : amide:sc= -0.535 X(o=-0.88,f=-1.1) USER MOD Set 2.4: A 70 GLN :FLIP amide:sc= -0.377 F(o=-2.1,f=-0.88) USER MOD Set 3.1: A 36 SER OG : rot 180:sc= 0.0333 USER MOD Set 3.2: A 37 SER OG : rot 180:sc= 0.02 USER MOD Set 4.1: A 25 ASN : amide:sc= -0.114 X(o=-0.81,f=-1.1) USER MOD Set 4.2: A 26 TYR OH : rot 120:sc= -0.7 USER MOD Set 5.1: A 19 GLN : amide:sc= 0.259 K(o=1.4,f=-1.2) USER MOD Set 5.2: A 33 THR OG1 : rot -139:sc= 1.22 USER MOD Set 5.3: A 59 ASN : amide:sc= -0.0933 K(o=1.4,f=-2.2!) USER MOD Single : A 3 LYS NZ :NH3+ -174:sc= 0.203 (180deg=-0.0156) USER MOD Single : A 9 SER OG : rot -113:sc= -0.0647 USER MOD Single : A 10 THR OG1 : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot 180:sc= 0.0106 USER MOD Single : A 13 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 SER OG : rot 75:sc= 0.0787 USER MOD Single : A 23 LYS NZ :NH3+ -149:sc= -0.0459 (180deg=-0.918) USER MOD Single : A 24 HIS : no HD1:sc= -0.0452 X(o=-0.045,f=-0.17) USER MOD Single : A 35 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= 0.22 X(o=0.22,f=-0.006) USER MOD Single : A 45 LYS NZ :NH3+ -115:sc= 0.618 (180deg=-0.305) USER MOD Single : A 46 SER OG : rot -86:sc= 0.821 USER MOD Single : A 47 MET CE :methyl -132:sc= -0.567 (180deg=-1.19) USER MOD Single : A 48 LYS NZ :NH3+ -116:sc= 1.25 (180deg=-0.636) USER MOD Single : A 50 ASN : amide:sc= -0.32 X(o=-0.32,f=-0.77) USER MOD Single : A 52 LYS NZ :NH3+ 174:sc= 0.0716 (180deg=0.0231) USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -168:sc= 0.542 (180deg=0.482) USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 84 LYS NZ :NH3+ 167:sc= -0.0299 (180deg=-0.244) USER MOD Single : A 85 SER OG : rot 12:sc= 0.551 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 92 THR OG1 : rot 76:sc= 1 USER MOD Single : A 93 GLN : amide:sc= -0.507 K(o=-0.51,f=-2.4) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 27 N LYS A 3 2.077 10.937 1.057 1.00 11.05 N ATOM 28 CA LYS A 3 1.350 10.117 2.043 1.00 72.23 C ATOM 29 C LYS A 3 0.885 8.838 1.340 1.00 2.53 C ATOM 30 O LYS A 3 0.417 8.896 0.195 1.00 52.22 O ATOM 31 CB LYS A 3 0.159 10.922 2.645 1.00 42.22 C ATOM 32 CG LYS A 3 -0.457 10.319 3.937 1.00 24.51 C ATOM 33 CD LYS A 3 -1.505 11.264 4.597 1.00 75.10 C ATOM 34 CE LYS A 3 -2.033 10.732 5.943 1.00 42.53 C ATOM 35 NZ LYS A 3 -2.758 9.448 5.795 1.00 13.50 N ATOM 0 HA LYS A 3 1.997 9.849 2.878 1.00 72.23 H new ATOM 0 HB2 LYS A 3 0.498 11.935 2.861 1.00 42.22 H new ATOM 0 HB3 LYS A 3 -0.624 11.002 1.891 1.00 42.22 H new ATOM 0 HG2 LYS A 3 -0.931 9.367 3.699 1.00 24.51 H new ATOM 0 HG3 LYS A 3 0.339 10.110 4.651 1.00 24.51 H new ATOM 0 HD2 LYS A 3 -1.055 12.245 4.752 1.00 75.10 H new ATOM 0 HD3 LYS A 3 -2.343 11.402 3.913 1.00 75.10 H new ATOM 0 HE2 LYS A 3 -1.198 10.598 6.631 1.00 42.53 H new ATOM 0 HE3 LYS A 3 -2.697 11.473 6.388 1.00 42.53 H new ATOM 0 HZ1 LYS A 3 -3.181 9.181 6.707 1.00 13.50 H new ATOM 0 HZ2 LYS A 3 -3.508 9.553 5.083 1.00 13.50 H new ATOM 0 HZ3 LYS A 3 -2.094 8.707 5.491 1.00 13.50 H new ATOM 49 N VAL A 4 1.017 7.682 2.001 1.00 31.25 N ATOM 50 CA VAL A 4 0.735 6.379 1.373 1.00 1.32 C ATOM 51 C VAL A 4 0.029 5.425 2.343 1.00 43.24 C ATOM 52 O VAL A 4 0.309 5.425 3.537 1.00 63.32 O ATOM 53 CB VAL A 4 2.050 5.734 0.821 1.00 0.22 C ATOM 54 CG1 VAL A 4 3.077 5.470 1.928 1.00 43.34 C ATOM 55 CG2 VAL A 4 1.767 4.458 0.009 1.00 61.21 C ATOM 0 H VAL A 4 1.318 7.619 2.974 1.00 31.25 H new ATOM 0 HA VAL A 4 0.059 6.557 0.537 1.00 1.32 H new ATOM 0 HB VAL A 4 2.489 6.465 0.142 1.00 0.22 H new ATOM 0 HG11 VAL A 4 3.972 5.022 1.495 1.00 43.34 H new ATOM 0 HG12 VAL A 4 3.340 6.410 2.412 1.00 43.34 H new ATOM 0 HG13 VAL A 4 2.651 4.789 2.665 1.00 43.34 H new ATOM 0 HG21 VAL A 4 2.707 4.043 -0.355 1.00 61.21 H new ATOM 0 HG22 VAL A 4 1.269 3.726 0.644 1.00 61.21 H new ATOM 0 HG23 VAL A 4 1.125 4.701 -0.838 1.00 61.21 H new ATOM 65 N LEU A 5 -0.902 4.622 1.810 1.00 14.53 N ATOM 66 CA LEU A 5 -1.619 3.593 2.566 1.00 22.34 C ATOM 67 C LEU A 5 -0.999 2.218 2.272 1.00 34.41 C ATOM 68 O LEU A 5 -1.217 1.642 1.200 1.00 34.41 O ATOM 69 CB LEU A 5 -3.122 3.599 2.195 1.00 5.34 C ATOM 70 CG LEU A 5 -4.019 2.590 2.980 1.00 12.24 C ATOM 71 CD1 LEU A 5 -3.994 2.874 4.497 1.00 72.32 C ATOM 72 CD2 LEU A 5 -5.460 2.574 2.424 1.00 45.42 C ATOM 0 H LEU A 5 -1.180 4.672 0.830 1.00 14.53 H new ATOM 0 HA LEU A 5 -1.532 3.805 3.632 1.00 22.34 H new ATOM 0 HB2 LEU A 5 -3.512 4.604 2.355 1.00 5.34 H new ATOM 0 HB3 LEU A 5 -3.215 3.387 1.130 1.00 5.34 H new ATOM 0 HG LEU A 5 -3.603 1.593 2.834 1.00 12.24 H new ATOM 0 HD11 LEU A 5 -4.629 2.153 5.013 1.00 72.32 H new ATOM 0 HD12 LEU A 5 -2.972 2.787 4.867 1.00 72.32 H new ATOM 0 HD13 LEU A 5 -4.363 3.882 4.685 1.00 72.32 H new ATOM 0 HD21 LEU A 5 -6.061 1.862 2.990 1.00 45.42 H new ATOM 0 HD22 LEU A 5 -5.896 3.569 2.514 1.00 45.42 H new ATOM 0 HD23 LEU A 5 -5.442 2.279 1.375 1.00 45.42 H new ATOM 84 N LEU A 6 -0.194 1.731 3.215 1.00 41.12 N ATOM 85 CA LEU A 6 0.399 0.391 3.166 1.00 51.15 C ATOM 86 C LEU A 6 -0.674 -0.667 3.513 1.00 43.42 C ATOM 87 O LEU A 6 -0.908 -0.965 4.687 1.00 65.15 O ATOM 88 CB LEU A 6 1.594 0.317 4.162 1.00 51.31 C ATOM 89 CG LEU A 6 2.356 -1.040 4.232 1.00 61.23 C ATOM 90 CD1 LEU A 6 3.016 -1.384 2.887 1.00 20.14 C ATOM 91 CD2 LEU A 6 3.378 -1.041 5.394 1.00 11.31 C ATOM 0 H LEU A 6 0.069 2.261 4.046 1.00 41.12 H new ATOM 0 HA LEU A 6 0.770 0.187 2.161 1.00 51.15 H new ATOM 0 HB2 LEU A 6 2.308 1.096 3.897 1.00 51.31 H new ATOM 0 HB3 LEU A 6 1.222 0.552 5.159 1.00 51.31 H new ATOM 0 HG LEU A 6 1.627 -1.824 4.437 1.00 61.23 H new ATOM 0 HD11 LEU A 6 3.539 -2.337 2.971 1.00 20.14 H new ATOM 0 HD12 LEU A 6 2.251 -1.457 2.114 1.00 20.14 H new ATOM 0 HD13 LEU A 6 3.727 -0.602 2.620 1.00 20.14 H new ATOM 0 HD21 LEU A 6 3.897 -1.999 5.421 1.00 11.31 H new ATOM 0 HD22 LEU A 6 4.102 -0.241 5.242 1.00 11.31 H new ATOM 0 HD23 LEU A 6 2.856 -0.884 6.338 1.00 11.31 H new ATOM 103 N VAL A 7 -1.333 -1.191 2.480 1.00 12.00 N ATOM 104 CA VAL A 7 -2.333 -2.264 2.600 1.00 42.42 C ATOM 105 C VAL A 7 -1.622 -3.619 2.752 1.00 34.34 C ATOM 106 O VAL A 7 -1.008 -4.113 1.797 1.00 4.03 O ATOM 107 CB VAL A 7 -3.280 -2.301 1.344 1.00 13.10 C ATOM 108 CG1 VAL A 7 -4.272 -3.485 1.413 1.00 12.55 C ATOM 109 CG2 VAL A 7 -4.023 -0.960 1.173 1.00 12.10 C ATOM 0 H VAL A 7 -1.188 -0.881 1.519 1.00 12.00 H new ATOM 0 HA VAL A 7 -2.943 -2.066 3.482 1.00 42.42 H new ATOM 0 HB VAL A 7 -2.654 -2.454 0.465 1.00 13.10 H new ATOM 0 HG11 VAL A 7 -4.909 -3.478 0.529 1.00 12.55 H new ATOM 0 HG12 VAL A 7 -3.717 -4.423 1.453 1.00 12.55 H new ATOM 0 HG13 VAL A 7 -4.890 -3.391 2.306 1.00 12.55 H new ATOM 0 HG21 VAL A 7 -4.671 -1.012 0.298 1.00 12.10 H new ATOM 0 HG22 VAL A 7 -4.626 -0.762 2.059 1.00 12.10 H new ATOM 0 HG23 VAL A 7 -3.298 -0.157 1.041 1.00 12.10 H new ATOM 119 N ILE A 8 -1.706 -4.207 3.957 1.00 41.01 N ATOM 120 CA ILE A 8 -1.105 -5.507 4.271 1.00 52.42 C ATOM 121 C ILE A 8 -2.213 -6.533 4.513 1.00 52.13 C ATOM 122 O ILE A 8 -3.031 -6.362 5.424 1.00 64.43 O ATOM 123 CB ILE A 8 -0.187 -5.449 5.547 1.00 1.21 C ATOM 124 CG1 ILE A 8 0.798 -4.248 5.467 1.00 44.51 C ATOM 125 CG2 ILE A 8 0.582 -6.790 5.730 1.00 24.13 C ATOM 126 CD1 ILE A 8 1.650 -4.060 6.700 1.00 71.11 C ATOM 0 H ILE A 8 -2.198 -3.787 4.745 1.00 41.01 H new ATOM 0 HA ILE A 8 -0.485 -5.791 3.421 1.00 52.42 H new ATOM 0 HB ILE A 8 -0.824 -5.301 6.419 1.00 1.21 H new ATOM 0 HG12 ILE A 8 1.452 -4.386 4.606 1.00 44.51 H new ATOM 0 HG13 ILE A 8 0.227 -3.336 5.291 1.00 44.51 H new ATOM 0 HG21 ILE A 8 1.212 -6.730 6.618 1.00 24.13 H new ATOM 0 HG22 ILE A 8 -0.132 -7.606 5.845 1.00 24.13 H new ATOM 0 HG23 ILE A 8 1.205 -6.974 4.855 1.00 24.13 H new ATOM 0 HD11 ILE A 8 2.308 -3.202 6.560 1.00 71.11 H new ATOM 0 HD12 ILE A 8 1.007 -3.888 7.564 1.00 71.11 H new ATOM 0 HD13 ILE A 8 2.251 -4.954 6.867 1.00 71.11 H new ATOM 138 N SER A 9 -2.219 -7.582 3.698 1.00 74.30 N ATOM 139 CA SER A 9 -3.066 -8.757 3.881 1.00 62.32 C ATOM 140 C SER A 9 -2.219 -9.999 3.612 1.00 75.03 C ATOM 141 O SER A 9 -1.365 -9.997 2.715 1.00 32.31 O ATOM 142 CB SER A 9 -4.288 -8.702 2.934 1.00 62.32 C ATOM 143 OG SER A 9 -5.067 -9.890 2.990 1.00 34.44 O ATOM 0 H SER A 9 -1.622 -7.641 2.873 1.00 74.30 H new ATOM 0 HA SER A 9 -3.451 -8.787 4.900 1.00 62.32 H new ATOM 0 HB2 SER A 9 -4.912 -7.848 3.198 1.00 62.32 H new ATOM 0 HB3 SER A 9 -3.946 -8.542 1.912 1.00 62.32 H new ATOM 0 HG SER A 9 -5.009 -10.360 2.132 1.00 34.44 H new ATOM 149 N THR A 10 -2.424 -11.034 4.421 1.00 35.25 N ATOM 150 CA THR A 10 -1.772 -12.338 4.239 1.00 52.04 C ATOM 151 C THR A 10 -2.524 -13.155 3.151 1.00 44.15 C ATOM 152 O THR A 10 -1.975 -14.087 2.552 1.00 33.11 O ATOM 153 CB THR A 10 -1.750 -13.098 5.611 1.00 3.11 C ATOM 154 OG1 THR A 10 -1.315 -12.196 6.646 1.00 64.45 O ATOM 155 CG2 THR A 10 -0.821 -14.330 5.601 1.00 33.24 C ATOM 0 H THR A 10 -3.049 -10.997 5.226 1.00 35.25 H new ATOM 0 HA THR A 10 -0.744 -12.200 3.903 1.00 52.04 H new ATOM 0 HB THR A 10 -2.764 -13.454 5.796 1.00 3.11 H new ATOM 0 HG1 THR A 10 -1.301 -12.667 7.506 1.00 64.45 H new ATOM 0 HG21 THR A 10 -0.848 -14.814 6.577 1.00 33.24 H new ATOM 0 HG22 THR A 10 -1.157 -15.033 4.838 1.00 33.24 H new ATOM 0 HG23 THR A 10 0.199 -14.015 5.380 1.00 33.24 H new ATOM 163 N ASP A 11 -3.791 -12.767 2.918 1.00 11.24 N ATOM 164 CA ASP A 11 -4.670 -13.364 1.901 1.00 71.30 C ATOM 165 C ASP A 11 -4.468 -12.632 0.567 1.00 5.01 C ATOM 166 O ASP A 11 -5.022 -11.542 0.369 1.00 24.22 O ATOM 167 CB ASP A 11 -6.165 -13.250 2.331 1.00 33.43 C ATOM 168 CG ASP A 11 -6.506 -13.987 3.634 1.00 30.15 C ATOM 169 OD1 ASP A 11 -5.903 -13.668 4.673 1.00 61.13 O ATOM 170 OD2 ASP A 11 -7.408 -14.860 3.639 1.00 14.00 O ATOM 0 H ASP A 11 -4.239 -12.015 3.442 1.00 11.24 H new ATOM 0 HA ASP A 11 -4.417 -14.419 1.793 1.00 71.30 H new ATOM 0 HB2 ASP A 11 -6.418 -12.196 2.447 1.00 33.43 H new ATOM 0 HB3 ASP A 11 -6.792 -13.643 1.531 1.00 33.43 H new ATOM 175 N THR A 12 -3.665 -13.224 -0.329 1.00 63.14 N ATOM 176 CA THR A 12 -3.412 -12.682 -1.675 1.00 54.23 C ATOM 177 C THR A 12 -4.646 -12.814 -2.593 1.00 73.05 C ATOM 178 O THR A 12 -4.720 -12.130 -3.620 1.00 14.15 O ATOM 179 CB THR A 12 -2.166 -13.360 -2.331 1.00 51.41 C ATOM 180 OG1 THR A 12 -2.231 -14.789 -2.159 1.00 23.34 O ATOM 181 CG2 THR A 12 -0.840 -12.833 -1.755 1.00 4.53 C ATOM 0 H THR A 12 -3.170 -14.096 -0.141 1.00 63.14 H new ATOM 0 HA THR A 12 -3.204 -11.619 -1.554 1.00 54.23 H new ATOM 0 HB THR A 12 -2.188 -13.110 -3.392 1.00 51.41 H new ATOM 0 HG1 THR A 12 -1.447 -15.205 -2.575 1.00 23.34 H new ATOM 0 HG21 THR A 12 -0.006 -13.336 -2.244 1.00 4.53 H new ATOM 0 HG22 THR A 12 -0.769 -11.759 -1.929 1.00 4.53 H new ATOM 0 HG23 THR A 12 -0.805 -13.030 -0.684 1.00 4.53 H new ATOM 189 N ASN A 13 -5.593 -13.697 -2.218 1.00 20.32 N ATOM 190 CA ASN A 13 -6.918 -13.793 -2.877 1.00 31.21 C ATOM 191 C ASN A 13 -7.698 -12.479 -2.681 1.00 31.30 C ATOM 192 O ASN A 13 -8.285 -11.933 -3.629 1.00 21.43 O ATOM 193 CB ASN A 13 -7.749 -14.976 -2.310 1.00 11.24 C ATOM 194 CG ASN A 13 -7.102 -16.351 -2.543 1.00 25.23 C ATOM 195 OD1 ASN A 13 -6.358 -16.852 -1.701 1.00 1.34 O ATOM 196 ND2 ASN A 13 -7.361 -16.968 -3.686 1.00 25.10 N ATOM 0 H ASN A 13 -5.466 -14.362 -1.455 1.00 20.32 H new ATOM 0 HA ASN A 13 -6.750 -13.970 -3.939 1.00 31.21 H new ATOM 0 HB2 ASN A 13 -7.892 -14.828 -1.240 1.00 11.24 H new ATOM 0 HB3 ASN A 13 -8.738 -14.967 -2.768 1.00 11.24 H new ATOM 0 HD21 ASN A 13 -6.941 -17.876 -3.882 1.00 25.10 H new ATOM 0 HD22 ASN A 13 -7.981 -16.535 -4.370 1.00 25.10 H new ATOM 203 N ILE A 14 -7.671 -11.977 -1.433 1.00 30.41 N ATOM 204 CA ILE A 14 -8.358 -10.737 -1.042 1.00 3.44 C ATOM 205 C ILE A 14 -7.671 -9.510 -1.665 1.00 40.43 C ATOM 206 O ILE A 14 -8.348 -8.590 -2.138 1.00 51.21 O ATOM 207 CB ILE A 14 -8.424 -10.608 0.524 1.00 5.31 C ATOM 208 CG1 ILE A 14 -9.306 -11.753 1.128 1.00 24.54 C ATOM 209 CG2 ILE A 14 -8.923 -9.216 0.974 1.00 44.30 C ATOM 210 CD1 ILE A 14 -10.745 -11.817 0.617 1.00 40.43 C ATOM 0 H ILE A 14 -7.169 -12.424 -0.666 1.00 30.41 H new ATOM 0 HA ILE A 14 -9.379 -10.780 -1.422 1.00 3.44 H new ATOM 0 HB ILE A 14 -7.409 -10.713 0.908 1.00 5.31 H new ATOM 0 HG12 ILE A 14 -8.823 -12.708 0.920 1.00 24.54 H new ATOM 0 HG13 ILE A 14 -9.329 -11.637 2.212 1.00 24.54 H new ATOM 0 HG21 ILE A 14 -8.952 -9.174 2.063 1.00 44.30 H new ATOM 0 HG22 ILE A 14 -8.246 -8.448 0.599 1.00 44.30 H new ATOM 0 HG23 ILE A 14 -9.923 -9.042 0.578 1.00 44.30 H new ATOM 0 HD11 ILE A 14 -11.266 -12.644 1.099 1.00 40.43 H new ATOM 0 HD12 ILE A 14 -11.255 -10.882 0.849 1.00 40.43 H new ATOM 0 HD13 ILE A 14 -10.741 -11.970 -0.462 1.00 40.43 H new ATOM 222 N ILE A 15 -6.323 -9.519 -1.666 1.00 53.15 N ATOM 223 CA ILE A 15 -5.508 -8.464 -2.302 1.00 61.53 C ATOM 224 C ILE A 15 -5.866 -8.357 -3.792 1.00 3.12 C ATOM 225 O ILE A 15 -6.119 -7.266 -4.288 1.00 3.32 O ATOM 226 CB ILE A 15 -3.969 -8.745 -2.135 1.00 14.21 C ATOM 227 CG1 ILE A 15 -3.603 -8.815 -0.625 1.00 44.52 C ATOM 228 CG2 ILE A 15 -3.103 -7.683 -2.867 1.00 51.50 C ATOM 229 CD1 ILE A 15 -2.187 -9.256 -0.338 1.00 70.01 C ATOM 0 H ILE A 15 -5.770 -10.255 -1.227 1.00 53.15 H new ATOM 0 HA ILE A 15 -5.730 -7.520 -1.805 1.00 61.53 H new ATOM 0 HB ILE A 15 -3.751 -9.707 -2.598 1.00 14.21 H new ATOM 0 HG12 ILE A 15 -3.760 -7.832 -0.181 1.00 44.52 H new ATOM 0 HG13 ILE A 15 -4.290 -9.501 -0.130 1.00 44.52 H new ATOM 0 HG21 ILE A 15 -2.047 -7.915 -2.726 1.00 51.50 H new ATOM 0 HG22 ILE A 15 -3.338 -7.693 -3.931 1.00 51.50 H new ATOM 0 HG23 ILE A 15 -3.316 -6.695 -2.458 1.00 51.50 H new ATOM 0 HD11 ILE A 15 -2.023 -9.275 0.739 1.00 70.01 H new ATOM 0 HD12 ILE A 15 -2.027 -10.253 -0.747 1.00 70.01 H new ATOM 0 HD13 ILE A 15 -1.488 -8.558 -0.799 1.00 70.01 H new ATOM 241 N SER A 16 -5.951 -9.518 -4.464 1.00 3.32 N ATOM 242 CA SER A 16 -6.284 -9.608 -5.899 1.00 74.54 C ATOM 243 C SER A 16 -7.637 -8.924 -6.205 1.00 14.10 C ATOM 244 O SER A 16 -7.770 -8.215 -7.217 1.00 25.32 O ATOM 245 CB SER A 16 -6.307 -11.094 -6.333 1.00 31.45 C ATOM 246 OG SER A 16 -6.587 -11.241 -7.714 1.00 2.40 O ATOM 0 H SER A 16 -5.790 -10.425 -4.026 1.00 3.32 H new ATOM 0 HA SER A 16 -5.518 -9.082 -6.469 1.00 74.54 H new ATOM 0 HB2 SER A 16 -5.344 -11.552 -6.108 1.00 31.45 H new ATOM 0 HB3 SER A 16 -7.058 -11.629 -5.752 1.00 31.45 H new ATOM 0 HG SER A 16 -6.591 -12.193 -7.947 1.00 2.40 H new ATOM 252 N SER A 17 -8.615 -9.119 -5.298 1.00 75.24 N ATOM 253 CA SER A 17 -9.953 -8.528 -5.428 1.00 62.32 C ATOM 254 C SER A 17 -9.902 -6.997 -5.247 1.00 2.40 C ATOM 255 O SER A 17 -10.178 -6.252 -6.190 1.00 21.43 O ATOM 256 CB SER A 17 -10.922 -9.170 -4.403 1.00 74.51 C ATOM 257 OG SER A 17 -11.033 -10.567 -4.621 1.00 23.24 O ATOM 0 H SER A 17 -8.496 -9.689 -4.460 1.00 75.24 H new ATOM 0 HA SER A 17 -10.323 -8.732 -6.433 1.00 62.32 H new ATOM 0 HB2 SER A 17 -10.564 -8.983 -3.391 1.00 74.51 H new ATOM 0 HB3 SER A 17 -11.905 -8.705 -4.485 1.00 74.51 H new ATOM 0 HG SER A 17 -10.222 -11.014 -4.300 1.00 23.24 H new ATOM 263 N VAL A 18 -9.464 -6.545 -4.052 1.00 50.03 N ATOM 264 CA VAL A 18 -9.537 -5.123 -3.637 1.00 0.53 C ATOM 265 C VAL A 18 -8.659 -4.219 -4.512 1.00 70.02 C ATOM 266 O VAL A 18 -9.089 -3.133 -4.912 1.00 15.12 O ATOM 267 CB VAL A 18 -9.103 -4.933 -2.141 1.00 32.21 C ATOM 268 CG1 VAL A 18 -9.241 -3.453 -1.693 1.00 53.53 C ATOM 269 CG2 VAL A 18 -9.894 -5.875 -1.223 1.00 55.43 C ATOM 0 H VAL A 18 -9.050 -7.154 -3.346 1.00 50.03 H new ATOM 0 HA VAL A 18 -10.581 -4.834 -3.757 1.00 0.53 H new ATOM 0 HB VAL A 18 -8.048 -5.195 -2.061 1.00 32.21 H new ATOM 0 HG11 VAL A 18 -8.932 -3.358 -0.652 1.00 53.53 H new ATOM 0 HG12 VAL A 18 -8.608 -2.823 -2.318 1.00 53.53 H new ATOM 0 HG13 VAL A 18 -10.280 -3.138 -1.794 1.00 53.53 H new ATOM 0 HG21 VAL A 18 -9.578 -5.727 -0.190 1.00 55.43 H new ATOM 0 HG22 VAL A 18 -10.959 -5.659 -1.311 1.00 55.43 H new ATOM 0 HG23 VAL A 18 -9.708 -6.909 -1.515 1.00 55.43 H new ATOM 279 N GLN A 19 -7.429 -4.697 -4.778 1.00 65.35 N ATOM 280 CA GLN A 19 -6.413 -3.976 -5.561 1.00 30.30 C ATOM 281 C GLN A 19 -6.967 -3.586 -6.929 1.00 14.31 C ATOM 282 O GLN A 19 -7.016 -2.406 -7.269 1.00 73.23 O ATOM 283 CB GLN A 19 -5.149 -4.854 -5.708 1.00 22.42 C ATOM 284 CG GLN A 19 -4.012 -4.232 -6.522 1.00 44.42 C ATOM 285 CD GLN A 19 -2.811 -5.157 -6.722 1.00 13.04 C ATOM 286 OE1 GLN A 19 -2.172 -5.115 -7.765 1.00 62.32 O ATOM 287 NE2 GLN A 19 -2.466 -5.961 -5.718 1.00 35.13 N ATOM 0 H GLN A 19 -7.110 -5.608 -4.449 1.00 65.35 H new ATOM 0 HA GLN A 19 -6.144 -3.059 -5.037 1.00 30.30 H new ATOM 0 HB2 GLN A 19 -4.774 -5.091 -4.713 1.00 22.42 H new ATOM 0 HB3 GLN A 19 -5.434 -5.797 -6.174 1.00 22.42 H new ATOM 0 HG2 GLN A 19 -4.397 -3.937 -7.498 1.00 44.42 H new ATOM 0 HG3 GLN A 19 -3.678 -3.322 -6.023 1.00 44.42 H new ATOM 0 HE21 GLN A 19 -3.019 -5.973 -4.861 1.00 35.13 H new ATOM 0 HE22 GLN A 19 -1.649 -6.565 -5.806 1.00 35.13 H new ATOM 296 N GLU A 20 -7.437 -4.596 -7.673 1.00 34.25 N ATOM 297 CA GLU A 20 -8.026 -4.400 -9.003 1.00 55.13 C ATOM 298 C GLU A 20 -9.288 -3.526 -8.946 1.00 10.13 C ATOM 299 O GLU A 20 -9.441 -2.612 -9.763 1.00 74.21 O ATOM 300 CB GLU A 20 -8.319 -5.771 -9.656 1.00 61.34 C ATOM 301 CG GLU A 20 -7.063 -6.474 -10.187 1.00 73.42 C ATOM 302 CD GLU A 20 -6.423 -5.728 -11.376 1.00 51.13 C ATOM 303 OE1 GLU A 20 -6.857 -5.963 -12.526 1.00 52.43 O ATOM 304 OE2 GLU A 20 -5.493 -4.911 -11.170 1.00 3.42 O ATOM 0 H GLU A 20 -7.419 -5.570 -7.370 1.00 34.25 H new ATOM 0 HA GLU A 20 -7.304 -3.866 -9.620 1.00 55.13 H new ATOM 0 HB2 GLU A 20 -8.806 -6.417 -8.925 1.00 61.34 H new ATOM 0 HB3 GLU A 20 -9.023 -5.631 -10.477 1.00 61.34 H new ATOM 0 HG2 GLU A 20 -6.333 -6.562 -9.383 1.00 73.42 H new ATOM 0 HG3 GLU A 20 -7.321 -7.487 -10.495 1.00 73.42 H new ATOM 311 N ARG A 21 -10.158 -3.786 -7.959 1.00 41.43 N ATOM 312 CA ARG A 21 -11.392 -3.000 -7.740 1.00 71.21 C ATOM 313 C ARG A 21 -11.080 -1.507 -7.543 1.00 1.13 C ATOM 314 O ARG A 21 -11.776 -0.644 -8.070 1.00 21.04 O ATOM 315 CB ARG A 21 -12.184 -3.546 -6.521 1.00 71.35 C ATOM 316 CG ARG A 21 -12.897 -4.885 -6.786 1.00 4.23 C ATOM 317 CD ARG A 21 -13.651 -5.430 -5.563 1.00 60.31 C ATOM 318 NE ARG A 21 -14.352 -6.682 -5.900 1.00 34.10 N ATOM 319 CZ ARG A 21 -14.697 -7.645 -5.034 1.00 73.35 C ATOM 320 NH1 ARG A 21 -14.415 -7.542 -3.738 1.00 71.41 N ATOM 321 NH2 ARG A 21 -15.342 -8.717 -5.478 1.00 2.53 N ATOM 0 H ARG A 21 -10.031 -4.544 -7.289 1.00 41.43 H new ATOM 0 HA ARG A 21 -12.008 -3.103 -8.634 1.00 71.21 H new ATOM 0 HB2 ARG A 21 -11.499 -3.671 -5.682 1.00 71.35 H new ATOM 0 HB3 ARG A 21 -12.925 -2.805 -6.221 1.00 71.35 H new ATOM 0 HG2 ARG A 21 -13.600 -4.757 -7.609 1.00 4.23 H new ATOM 0 HG3 ARG A 21 -12.161 -5.622 -7.108 1.00 4.23 H new ATOM 0 HD2 ARG A 21 -12.951 -5.608 -4.747 1.00 60.31 H new ATOM 0 HD3 ARG A 21 -14.369 -4.689 -5.212 1.00 60.31 H new ATOM 0 HE ARG A 21 -14.596 -6.829 -6.879 1.00 34.10 H new ATOM 0 HH11 ARG A 21 -13.927 -6.718 -3.386 1.00 71.41 H new ATOM 0 HH12 ARG A 21 -14.687 -8.287 -3.096 1.00 71.41 H new ATOM 0 HH21 ARG A 21 -15.570 -8.801 -6.469 1.00 2.53 H new ATOM 0 HH22 ARG A 21 -15.610 -9.456 -4.828 1.00 2.53 H new ATOM 335 N ALA A 22 -10.000 -1.227 -6.820 1.00 71.21 N ATOM 336 CA ALA A 22 -9.590 0.139 -6.501 1.00 14.21 C ATOM 337 C ALA A 22 -8.902 0.816 -7.714 1.00 40.55 C ATOM 338 O ALA A 22 -9.117 1.997 -7.969 1.00 50.32 O ATOM 339 CB ALA A 22 -8.682 0.114 -5.268 1.00 62.20 C ATOM 0 H ALA A 22 -9.382 -1.942 -6.437 1.00 71.21 H new ATOM 0 HA ALA A 22 -10.471 0.738 -6.273 1.00 14.21 H new ATOM 0 HB1 ALA A 22 -8.372 1.130 -5.024 1.00 62.20 H new ATOM 0 HB2 ALA A 22 -9.225 -0.312 -4.425 1.00 62.20 H new ATOM 0 HB3 ALA A 22 -7.802 -0.494 -5.477 1.00 62.20 H new ATOM 345 N LYS A 23 -8.091 0.042 -8.461 1.00 23.24 N ATOM 346 CA LYS A 23 -7.350 0.534 -9.654 1.00 24.10 C ATOM 347 C LYS A 23 -8.302 0.847 -10.826 1.00 33.50 C ATOM 348 O LYS A 23 -8.047 1.770 -11.614 1.00 12.13 O ATOM 349 CB LYS A 23 -6.296 -0.528 -10.084 1.00 4.12 C ATOM 350 CG LYS A 23 -5.105 -0.681 -9.100 1.00 45.23 C ATOM 351 CD LYS A 23 -4.296 -2.003 -9.267 1.00 63.53 C ATOM 352 CE LYS A 23 -3.453 -2.107 -10.551 1.00 60.53 C ATOM 353 NZ LYS A 23 -4.269 -2.257 -11.782 1.00 74.52 N ATOM 0 H LYS A 23 -7.926 -0.944 -8.260 1.00 23.24 H new ATOM 0 HA LYS A 23 -6.847 1.463 -9.385 1.00 24.10 H new ATOM 0 HB2 LYS A 23 -6.792 -1.493 -10.189 1.00 4.12 H new ATOM 0 HB3 LYS A 23 -5.908 -0.261 -11.067 1.00 4.12 H new ATOM 0 HG2 LYS A 23 -4.429 0.163 -9.233 1.00 45.23 H new ATOM 0 HG3 LYS A 23 -5.484 -0.628 -8.079 1.00 45.23 H new ATOM 0 HD2 LYS A 23 -3.634 -2.114 -8.408 1.00 63.53 H new ATOM 0 HD3 LYS A 23 -4.993 -2.841 -9.242 1.00 63.53 H new ATOM 0 HE2 LYS A 23 -2.832 -1.216 -10.642 1.00 60.53 H new ATOM 0 HE3 LYS A 23 -2.778 -2.959 -10.466 1.00 60.53 H new ATOM 0 HZ1 LYS A 23 -3.743 -2.819 -12.481 1.00 74.52 H new ATOM 0 HZ2 LYS A 23 -5.161 -2.739 -11.551 1.00 74.52 H new ATOM 0 HZ3 LYS A 23 -4.476 -1.318 -12.178 1.00 74.52 H new ATOM 367 N HIS A 24 -9.391 0.068 -10.930 1.00 54.24 N ATOM 368 CA HIS A 24 -10.384 0.226 -12.005 1.00 65.54 C ATOM 369 C HIS A 24 -11.397 1.327 -11.632 1.00 21.32 C ATOM 370 O HIS A 24 -11.593 2.277 -12.401 1.00 4.42 O ATOM 371 CB HIS A 24 -11.115 -1.119 -12.302 1.00 31.41 C ATOM 372 CG HIS A 24 -10.216 -2.231 -12.805 1.00 40.35 C ATOM 373 ND1 HIS A 24 -9.174 -2.022 -13.686 1.00 71.33 N ATOM 374 CD2 HIS A 24 -10.198 -3.566 -12.529 1.00 4.42 C ATOM 375 CE1 HIS A 24 -8.559 -3.168 -13.923 1.00 12.01 C ATOM 376 NE2 HIS A 24 -9.156 -4.111 -13.234 1.00 20.32 N ATOM 0 H HIS A 24 -9.607 -0.684 -10.276 1.00 54.24 H new ATOM 0 HA HIS A 24 -9.860 0.523 -12.913 1.00 65.54 H new ATOM 0 HB2 HIS A 24 -11.612 -1.455 -11.392 1.00 31.41 H new ATOM 0 HB3 HIS A 24 -11.894 -0.938 -13.042 1.00 31.41 H new ATOM 0 HD2 HIS A 24 -10.877 -4.095 -11.877 1.00 4.42 H new ATOM 0 HE1 HIS A 24 -7.708 -3.305 -14.574 1.00 12.01 H new ATOM 0 HE2 HIS A 24 -8.887 -5.095 -13.224 1.00 20.32 H new ATOM 385 N ASN A 25 -12.018 1.197 -10.431 1.00 14.25 N ATOM 386 CA ASN A 25 -13.063 2.141 -9.942 1.00 0.40 C ATOM 387 C ASN A 25 -12.493 3.565 -9.761 1.00 71.35 C ATOM 388 O ASN A 25 -13.208 4.559 -9.959 1.00 14.53 O ATOM 389 CB ASN A 25 -13.697 1.636 -8.603 1.00 61.21 C ATOM 390 CG ASN A 25 -14.912 2.447 -8.124 1.00 53.24 C ATOM 391 OD1 ASN A 25 -15.658 3.011 -8.926 1.00 13.00 O ATOM 392 ND2 ASN A 25 -15.129 2.503 -6.816 1.00 73.13 N ATOM 0 H ASN A 25 -11.812 0.442 -9.777 1.00 14.25 H new ATOM 0 HA ASN A 25 -13.845 2.181 -10.700 1.00 0.40 H new ATOM 0 HB2 ASN A 25 -13.998 0.596 -8.728 1.00 61.21 H new ATOM 0 HB3 ASN A 25 -12.934 1.656 -7.825 1.00 61.21 H new ATOM 0 HD21 ASN A 25 -15.929 3.022 -6.453 1.00 73.13 H new ATOM 0 HD22 ASN A 25 -14.496 2.027 -6.173 1.00 73.13 H new ATOM 399 N TYR A 26 -11.198 3.658 -9.387 1.00 61.12 N ATOM 400 CA TYR A 26 -10.490 4.947 -9.226 1.00 4.22 C ATOM 401 C TYR A 26 -9.312 5.012 -10.231 1.00 14.35 C ATOM 402 O TYR A 26 -8.166 4.716 -9.881 1.00 42.34 O ATOM 403 CB TYR A 26 -10.004 5.133 -7.754 1.00 35.52 C ATOM 404 CG TYR A 26 -11.077 4.780 -6.712 1.00 43.31 C ATOM 405 CD1 TYR A 26 -12.211 5.580 -6.538 1.00 65.21 C ATOM 406 CD2 TYR A 26 -10.989 3.609 -5.941 1.00 63.32 C ATOM 407 CE1 TYR A 26 -13.208 5.222 -5.650 1.00 54.23 C ATOM 408 CE2 TYR A 26 -11.979 3.263 -5.047 1.00 1.22 C ATOM 409 CZ TYR A 26 -13.085 4.069 -4.911 1.00 64.21 C ATOM 410 OH TYR A 26 -14.092 3.699 -4.051 1.00 34.13 O ATOM 0 H TYR A 26 -10.616 2.844 -9.189 1.00 61.12 H new ATOM 0 HA TYR A 26 -11.175 5.767 -9.440 1.00 4.22 H new ATOM 0 HB2 TYR A 26 -9.126 4.509 -7.587 1.00 35.52 H new ATOM 0 HB3 TYR A 26 -9.693 6.168 -7.609 1.00 35.52 H new ATOM 0 HD1 TYR A 26 -12.309 6.493 -7.107 1.00 65.21 H new ATOM 0 HD2 TYR A 26 -10.128 2.967 -6.051 1.00 63.32 H new ATOM 0 HE1 TYR A 26 -14.082 5.847 -5.537 1.00 54.23 H new ATOM 0 HE2 TYR A 26 -11.887 2.364 -4.456 1.00 1.22 H new ATOM 0 HH TYR A 26 -14.441 2.822 -4.314 1.00 34.13 H new ATOM 420 N PRO A 27 -9.593 5.363 -11.532 1.00 30.14 N ATOM 421 CA PRO A 27 -8.551 5.446 -12.582 1.00 54.52 C ATOM 422 C PRO A 27 -7.713 6.741 -12.491 1.00 52.34 C ATOM 423 O PRO A 27 -6.624 6.826 -13.071 1.00 24.53 O ATOM 424 CB PRO A 27 -9.380 5.390 -13.883 1.00 4.45 C ATOM 425 CG PRO A 27 -10.683 6.043 -13.533 1.00 50.44 C ATOM 426 CD PRO A 27 -10.947 5.687 -12.086 1.00 42.13 C ATOM 0 HA PRO A 27 -7.808 4.652 -12.502 1.00 54.52 H new ATOM 0 HB2 PRO A 27 -8.879 5.917 -14.695 1.00 4.45 H new ATOM 0 HB3 PRO A 27 -9.529 4.362 -14.214 1.00 4.45 H new ATOM 0 HG2 PRO A 27 -10.627 7.123 -13.666 1.00 50.44 H new ATOM 0 HG3 PRO A 27 -11.486 5.684 -14.177 1.00 50.44 H new ATOM 0 HD2 PRO A 27 -11.408 6.517 -11.550 1.00 42.13 H new ATOM 0 HD3 PRO A 27 -11.625 4.837 -12.003 1.00 42.13 H new ATOM 434 N GLY A 28 -8.248 7.742 -11.762 1.00 24.05 N ATOM 435 CA GLY A 28 -7.604 9.050 -11.592 1.00 41.21 C ATOM 436 C GLY A 28 -6.786 9.143 -10.320 1.00 22.53 C ATOM 437 O GLY A 28 -6.202 10.191 -10.037 1.00 31.31 O ATOM 0 H GLY A 28 -9.141 7.660 -11.276 1.00 24.05 H new ATOM 0 HA2 GLY A 28 -6.959 9.246 -12.448 1.00 41.21 H new ATOM 0 HA3 GLY A 28 -8.368 9.827 -11.584 1.00 41.21 H new ATOM 441 N ARG A 29 -6.768 8.056 -9.526 1.00 52.53 N ATOM 442 CA ARG A 29 -5.994 7.971 -8.278 1.00 65.20 C ATOM 443 C ARG A 29 -4.951 6.853 -8.427 1.00 5.42 C ATOM 444 O ARG A 29 -5.318 5.700 -8.698 1.00 73.33 O ATOM 445 CB ARG A 29 -6.934 7.705 -7.063 1.00 1.02 C ATOM 446 CG ARG A 29 -8.100 8.705 -6.917 1.00 73.24 C ATOM 447 CD ARG A 29 -7.642 10.169 -6.726 1.00 1.35 C ATOM 448 NE ARG A 29 -7.232 10.454 -5.333 1.00 73.12 N ATOM 449 CZ ARG A 29 -6.265 11.312 -4.961 1.00 4.23 C ATOM 450 NH1 ARG A 29 -5.563 11.988 -5.863 1.00 54.21 N ATOM 451 NH2 ARG A 29 -6.049 11.546 -3.670 1.00 61.05 N ATOM 0 H ARG A 29 -7.294 7.208 -9.736 1.00 52.53 H new ATOM 0 HA ARG A 29 -5.487 8.918 -8.091 1.00 65.20 H new ATOM 0 HB2 ARG A 29 -7.345 6.699 -7.153 1.00 1.02 H new ATOM 0 HB3 ARG A 29 -6.339 7.726 -6.150 1.00 1.02 H new ATOM 0 HG2 ARG A 29 -8.733 8.644 -7.803 1.00 73.24 H new ATOM 0 HG3 ARG A 29 -8.714 8.412 -6.066 1.00 73.24 H new ATOM 0 HD2 ARG A 29 -6.809 10.377 -7.397 1.00 1.35 H new ATOM 0 HD3 ARG A 29 -8.453 10.840 -7.008 1.00 1.35 H new ATOM 0 HE ARG A 29 -7.725 9.957 -4.591 1.00 73.12 H new ATOM 0 HH11 ARG A 29 -5.753 11.861 -6.857 1.00 54.21 H new ATOM 0 HH12 ARG A 29 -4.834 12.634 -5.562 1.00 54.21 H new ATOM 0 HH21 ARG A 29 -6.616 11.075 -2.965 1.00 61.05 H new ATOM 0 HH22 ARG A 29 -5.316 12.196 -3.385 1.00 61.05 H new ATOM 465 N GLU A 30 -3.665 7.203 -8.253 1.00 32.33 N ATOM 466 CA GLU A 30 -2.544 6.286 -8.486 1.00 21.24 C ATOM 467 C GLU A 30 -2.387 5.299 -7.320 1.00 61.41 C ATOM 468 O GLU A 30 -2.376 5.694 -6.148 1.00 73.54 O ATOM 469 CB GLU A 30 -1.224 7.071 -8.735 1.00 33.21 C ATOM 470 CG GLU A 30 -1.152 7.837 -10.080 1.00 50.42 C ATOM 471 CD GLU A 30 -2.136 9.017 -10.201 1.00 64.11 C ATOM 472 OE1 GLU A 30 -1.819 10.121 -9.708 1.00 61.20 O ATOM 473 OE2 GLU A 30 -3.221 8.853 -10.803 1.00 25.04 O ATOM 0 H GLU A 30 -3.377 8.132 -7.946 1.00 32.33 H new ATOM 0 HA GLU A 30 -2.765 5.709 -9.384 1.00 21.24 H new ATOM 0 HB2 GLU A 30 -1.086 7.784 -7.922 1.00 33.21 H new ATOM 0 HB3 GLU A 30 -0.390 6.370 -8.690 1.00 33.21 H new ATOM 0 HG2 GLU A 30 -0.138 8.212 -10.215 1.00 50.42 H new ATOM 0 HG3 GLU A 30 -1.344 7.136 -10.893 1.00 50.42 H new ATOM 480 N ILE A 31 -2.280 4.014 -7.674 1.00 31.42 N ATOM 481 CA ILE A 31 -2.148 2.895 -6.734 1.00 54.44 C ATOM 482 C ILE A 31 -0.921 2.052 -7.123 1.00 43.22 C ATOM 483 O ILE A 31 -0.593 1.930 -8.310 1.00 31.43 O ATOM 484 CB ILE A 31 -3.466 2.033 -6.737 1.00 12.12 C ATOM 485 CG1 ILE A 31 -4.665 2.892 -6.213 1.00 30.51 C ATOM 486 CG2 ILE A 31 -3.304 0.729 -5.924 1.00 14.12 C ATOM 487 CD1 ILE A 31 -5.995 2.181 -6.204 1.00 10.50 C ATOM 0 H ILE A 31 -2.283 3.715 -8.649 1.00 31.42 H new ATOM 0 HA ILE A 31 -2.002 3.271 -5.721 1.00 54.44 H new ATOM 0 HB ILE A 31 -3.675 1.733 -7.764 1.00 12.12 H new ATOM 0 HG12 ILE A 31 -4.440 3.225 -5.200 1.00 30.51 H new ATOM 0 HG13 ILE A 31 -4.751 3.786 -6.831 1.00 30.51 H new ATOM 0 HG21 ILE A 31 -4.236 0.165 -5.952 1.00 14.12 H new ATOM 0 HG22 ILE A 31 -2.503 0.129 -6.355 1.00 14.12 H new ATOM 0 HG23 ILE A 31 -3.059 0.973 -4.890 1.00 14.12 H new ATOM 0 HD11 ILE A 31 -6.765 2.854 -5.826 1.00 10.50 H new ATOM 0 HD12 ILE A 31 -6.249 1.872 -7.218 1.00 10.50 H new ATOM 0 HD13 ILE A 31 -5.934 1.302 -5.562 1.00 10.50 H new ATOM 499 N ARG A 32 -0.242 1.495 -6.111 1.00 22.21 N ATOM 500 CA ARG A 32 0.988 0.710 -6.264 1.00 65.15 C ATOM 501 C ARG A 32 0.794 -0.725 -5.760 1.00 73.21 C ATOM 502 O ARG A 32 -0.130 -1.013 -4.987 1.00 73.30 O ATOM 503 CB ARG A 32 2.125 1.404 -5.476 1.00 51.11 C ATOM 504 CG ARG A 32 2.628 2.718 -6.096 1.00 63.43 C ATOM 505 CD ARG A 32 3.269 2.512 -7.476 1.00 74.43 C ATOM 506 NE ARG A 32 3.945 3.725 -7.968 1.00 15.53 N ATOM 507 CZ ARG A 32 3.515 4.497 -8.973 1.00 2.22 C ATOM 508 NH1 ARG A 32 2.400 4.215 -9.636 1.00 21.42 N ATOM 509 NH2 ARG A 32 4.236 5.540 -9.329 1.00 64.31 N ATOM 0 H ARG A 32 -0.541 1.581 -5.140 1.00 22.21 H new ATOM 0 HA ARG A 32 1.246 0.657 -7.322 1.00 65.15 H new ATOM 0 HB2 ARG A 32 1.776 1.606 -4.463 1.00 51.11 H new ATOM 0 HB3 ARG A 32 2.964 0.713 -5.392 1.00 51.11 H new ATOM 0 HG2 ARG A 32 1.795 3.415 -6.187 1.00 63.43 H new ATOM 0 HG3 ARG A 32 3.356 3.176 -5.426 1.00 63.43 H new ATOM 0 HD2 ARG A 32 3.989 1.695 -7.421 1.00 74.43 H new ATOM 0 HD3 ARG A 32 2.501 2.213 -8.189 1.00 74.43 H new ATOM 0 HE ARG A 32 4.812 3.999 -7.505 1.00 15.53 H new ATOM 0 HH11 ARG A 32 1.850 3.394 -9.383 1.00 21.42 H new ATOM 0 HH12 ARG A 32 2.093 4.819 -10.398 1.00 21.42 H new ATOM 0 HH21 ARG A 32 5.107 5.748 -8.841 1.00 64.31 H new ATOM 0 HH22 ARG A 32 3.923 6.139 -10.093 1.00 64.31 H new ATOM 523 N THR A 33 1.696 -1.611 -6.198 1.00 72.12 N ATOM 524 CA THR A 33 1.749 -3.016 -5.777 1.00 33.02 C ATOM 525 C THR A 33 3.200 -3.385 -5.433 1.00 20.04 C ATOM 526 O THR A 33 4.124 -3.022 -6.172 1.00 5.13 O ATOM 527 CB THR A 33 1.226 -3.952 -6.918 1.00 34.44 C ATOM 528 OG1 THR A 33 -0.042 -3.471 -7.389 1.00 11.44 O ATOM 529 CG2 THR A 33 1.076 -5.414 -6.451 1.00 71.44 C ATOM 0 H THR A 33 2.424 -1.366 -6.869 1.00 72.12 H new ATOM 0 HA THR A 33 1.114 -3.148 -4.901 1.00 33.02 H new ATOM 0 HB THR A 33 1.963 -3.935 -7.720 1.00 34.44 H new ATOM 0 HG1 THR A 33 -0.641 -4.230 -7.548 1.00 11.44 H new ATOM 0 HG21 THR A 33 0.711 -6.024 -7.277 1.00 71.44 H new ATOM 0 HG22 THR A 33 2.044 -5.792 -6.121 1.00 71.44 H new ATOM 0 HG23 THR A 33 0.367 -5.461 -5.624 1.00 71.44 H new ATOM 537 N ALA A 34 3.403 -4.106 -4.327 1.00 42.54 N ATOM 538 CA ALA A 34 4.730 -4.527 -3.875 1.00 52.03 C ATOM 539 C ALA A 34 4.760 -6.044 -3.668 1.00 65.13 C ATOM 540 O ALA A 34 4.044 -6.568 -2.812 1.00 33.44 O ATOM 541 CB ALA A 34 5.108 -3.791 -2.589 1.00 1.24 C ATOM 0 H ALA A 34 2.646 -4.415 -3.717 1.00 42.54 H new ATOM 0 HA ALA A 34 5.464 -4.273 -4.640 1.00 52.03 H new ATOM 0 HB1 ALA A 34 6.097 -4.113 -2.263 1.00 1.24 H new ATOM 0 HB2 ALA A 34 5.119 -2.717 -2.774 1.00 1.24 H new ATOM 0 HB3 ALA A 34 4.378 -4.018 -1.812 1.00 1.24 H new ATOM 547 N THR A 35 5.565 -6.738 -4.479 1.00 1.52 N ATOM 548 CA THR A 35 5.802 -8.182 -4.335 1.00 22.23 C ATOM 549 C THR A 35 6.750 -8.442 -3.140 1.00 43.35 C ATOM 550 O THR A 35 6.497 -9.300 -2.291 1.00 0.31 O ATOM 551 CB THR A 35 6.425 -8.754 -5.654 1.00 40.40 C ATOM 552 OG1 THR A 35 5.582 -8.422 -6.767 1.00 21.34 O ATOM 553 CG2 THR A 35 6.630 -10.282 -5.614 1.00 15.42 C ATOM 0 H THR A 35 6.073 -6.315 -5.256 1.00 1.52 H new ATOM 0 HA THR A 35 4.853 -8.684 -4.148 1.00 22.23 H new ATOM 0 HB THR A 35 7.409 -8.298 -5.761 1.00 40.40 H new ATOM 0 HG1 THR A 35 5.973 -8.779 -7.592 1.00 21.34 H new ATOM 0 HG21 THR A 35 7.064 -10.616 -6.556 1.00 15.42 H new ATOM 0 HG22 THR A 35 7.302 -10.538 -4.794 1.00 15.42 H new ATOM 0 HG23 THR A 35 5.669 -10.774 -5.463 1.00 15.42 H new ATOM 561 N SER A 36 7.814 -7.636 -3.071 1.00 74.33 N ATOM 562 CA SER A 36 8.894 -7.795 -2.088 1.00 12.25 C ATOM 563 C SER A 36 9.469 -6.417 -1.704 1.00 41.35 C ATOM 564 O SER A 36 8.988 -5.379 -2.181 1.00 41.21 O ATOM 565 CB SER A 36 9.987 -8.728 -2.685 1.00 42.00 C ATOM 566 OG SER A 36 10.993 -9.055 -1.735 1.00 23.42 O ATOM 0 H SER A 36 7.953 -6.846 -3.702 1.00 74.33 H new ATOM 0 HA SER A 36 8.508 -8.251 -1.176 1.00 12.25 H new ATOM 0 HB2 SER A 36 9.521 -9.644 -3.048 1.00 42.00 H new ATOM 0 HB3 SER A 36 10.447 -8.242 -3.545 1.00 42.00 H new ATOM 0 HG SER A 36 11.657 -9.643 -2.151 1.00 23.42 H new ATOM 572 N SER A 37 10.495 -6.431 -0.832 1.00 21.52 N ATOM 573 CA SER A 37 11.187 -5.237 -0.322 1.00 24.54 C ATOM 574 C SER A 37 11.899 -4.430 -1.434 1.00 64.54 C ATOM 575 O SER A 37 12.163 -3.235 -1.258 1.00 54.21 O ATOM 576 CB SER A 37 12.186 -5.663 0.771 1.00 42.33 C ATOM 577 OG SER A 37 12.939 -6.795 0.360 1.00 41.11 O ATOM 0 H SER A 37 10.874 -7.299 -0.454 1.00 21.52 H new ATOM 0 HA SER A 37 10.435 -4.569 0.098 1.00 24.54 H new ATOM 0 HB2 SER A 37 12.860 -4.836 0.995 1.00 42.33 H new ATOM 0 HB3 SER A 37 11.648 -5.894 1.690 1.00 42.33 H new ATOM 0 HG SER A 37 13.567 -7.045 1.070 1.00 41.11 H new ATOM 583 N GLN A 38 12.207 -5.093 -2.564 1.00 33.32 N ATOM 584 CA GLN A 38 12.733 -4.423 -3.770 1.00 40.24 C ATOM 585 C GLN A 38 11.675 -3.453 -4.342 1.00 14.42 C ATOM 586 O GLN A 38 11.966 -2.282 -4.638 1.00 32.12 O ATOM 587 CB GLN A 38 13.138 -5.496 -4.821 1.00 52.04 C ATOM 588 CG GLN A 38 13.633 -4.948 -6.182 1.00 51.03 C ATOM 589 CD GLN A 38 14.830 -3.993 -6.078 1.00 64.04 C ATOM 590 OE1 GLN A 38 15.985 -4.416 -6.071 1.00 64.42 O ATOM 591 NE2 GLN A 38 14.562 -2.704 -6.015 1.00 42.34 N ATOM 0 H GLN A 38 12.100 -6.102 -2.668 1.00 33.32 H new ATOM 0 HA GLN A 38 13.616 -3.839 -3.511 1.00 40.24 H new ATOM 0 HB2 GLN A 38 13.924 -6.119 -4.393 1.00 52.04 H new ATOM 0 HB3 GLN A 38 12.280 -6.144 -5.001 1.00 52.04 H new ATOM 0 HG2 GLN A 38 13.907 -5.787 -6.821 1.00 51.03 H new ATOM 0 HG3 GLN A 38 12.810 -4.429 -6.673 1.00 51.03 H new ATOM 0 HE21 GLN A 38 13.594 -2.383 -6.023 1.00 42.34 H new ATOM 0 HE22 GLN A 38 15.323 -2.027 -5.959 1.00 42.34 H new ATOM 600 N ASP A 39 10.438 -3.956 -4.433 1.00 54.55 N ATOM 601 CA ASP A 39 9.280 -3.203 -4.945 1.00 51.30 C ATOM 602 C ASP A 39 8.903 -2.083 -3.958 1.00 30.23 C ATOM 603 O ASP A 39 8.577 -0.976 -4.370 1.00 23.05 O ATOM 604 CB ASP A 39 8.077 -4.154 -5.155 1.00 3.53 C ATOM 605 CG ASP A 39 8.420 -5.400 -5.984 1.00 5.42 C ATOM 606 OD1 ASP A 39 9.042 -6.326 -5.433 1.00 41.42 O ATOM 607 OD2 ASP A 39 8.076 -5.460 -7.180 1.00 42.22 O ATOM 0 H ASP A 39 10.207 -4.909 -4.150 1.00 54.55 H new ATOM 0 HA ASP A 39 9.545 -2.756 -5.903 1.00 51.30 H new ATOM 0 HB2 ASP A 39 7.697 -4.467 -4.182 1.00 3.53 H new ATOM 0 HB3 ASP A 39 7.274 -3.608 -5.650 1.00 3.53 H new ATOM 612 N ILE A 40 8.977 -2.413 -2.650 1.00 13.12 N ATOM 613 CA ILE A 40 8.790 -1.469 -1.529 1.00 24.13 C ATOM 614 C ILE A 40 9.678 -0.211 -1.714 1.00 13.34 C ATOM 615 O ILE A 40 9.172 0.918 -1.749 1.00 65.31 O ATOM 616 CB ILE A 40 9.138 -2.187 -0.161 1.00 70.04 C ATOM 617 CG1 ILE A 40 8.050 -3.245 0.237 1.00 15.20 C ATOM 618 CG2 ILE A 40 9.402 -1.198 0.988 1.00 74.11 C ATOM 619 CD1 ILE A 40 6.679 -2.683 0.570 1.00 74.25 C ATOM 0 H ILE A 40 9.173 -3.364 -2.339 1.00 13.12 H new ATOM 0 HA ILE A 40 7.748 -1.150 -1.513 1.00 24.13 H new ATOM 0 HB ILE A 40 10.074 -2.719 -0.333 1.00 70.04 H new ATOM 0 HG12 ILE A 40 7.942 -3.955 -0.583 1.00 15.20 H new ATOM 0 HG13 ILE A 40 8.412 -3.806 1.099 1.00 15.20 H new ATOM 0 HG21 ILE A 40 9.635 -1.751 1.898 1.00 74.11 H new ATOM 0 HG22 ILE A 40 10.243 -0.555 0.729 1.00 74.11 H new ATOM 0 HG23 ILE A 40 8.515 -0.586 1.152 1.00 74.11 H new ATOM 0 HD11 ILE A 40 6.005 -3.499 0.831 1.00 74.25 H new ATOM 0 HD12 ILE A 40 6.762 -1.997 1.413 1.00 74.25 H new ATOM 0 HD13 ILE A 40 6.285 -2.149 -0.295 1.00 74.25 H new ATOM 631 N ARG A 41 10.994 -0.445 -1.873 1.00 51.22 N ATOM 632 CA ARG A 41 11.995 0.628 -2.042 1.00 33.40 C ATOM 633 C ARG A 41 11.753 1.426 -3.341 1.00 22.11 C ATOM 634 O ARG A 41 11.951 2.640 -3.370 1.00 55.00 O ATOM 635 CB ARG A 41 13.431 0.036 -2.050 1.00 24.21 C ATOM 636 CG ARG A 41 13.917 -0.544 -0.701 1.00 51.01 C ATOM 637 CD ARG A 41 15.325 -1.164 -0.810 1.00 60.12 C ATOM 638 NE ARG A 41 15.829 -1.688 0.476 1.00 43.34 N ATOM 639 CZ ARG A 41 17.104 -2.086 0.707 1.00 1.42 C ATOM 640 NH1 ARG A 41 18.024 -2.022 -0.259 1.00 71.33 N ATOM 641 NH2 ARG A 41 17.437 -2.537 1.913 1.00 42.51 N ATOM 0 H ARG A 41 11.395 -1.383 -1.888 1.00 51.22 H new ATOM 0 HA ARG A 41 11.891 1.309 -1.197 1.00 33.40 H new ATOM 0 HB2 ARG A 41 13.477 -0.751 -2.802 1.00 24.21 H new ATOM 0 HB3 ARG A 41 14.126 0.816 -2.362 1.00 24.21 H new ATOM 0 HG2 ARG A 41 13.926 0.246 0.050 1.00 51.01 H new ATOM 0 HG3 ARG A 41 13.213 -1.302 -0.358 1.00 51.01 H new ATOM 0 HD2 ARG A 41 15.304 -1.972 -1.541 1.00 60.12 H new ATOM 0 HD3 ARG A 41 16.019 -0.412 -1.186 1.00 60.12 H new ATOM 0 HE ARG A 41 15.167 -1.755 1.249 1.00 43.34 H new ATOM 0 HH11 ARG A 41 17.770 -1.671 -1.182 1.00 71.33 H new ATOM 0 HH12 ARG A 41 18.980 -2.324 -0.073 1.00 71.33 H new ATOM 0 HH21 ARG A 41 16.736 -2.581 2.653 1.00 42.51 H new ATOM 0 HH22 ARG A 41 18.393 -2.839 2.098 1.00 42.51 H new ATOM 655 N ASP A 42 11.317 0.717 -4.403 1.00 14.35 N ATOM 656 CA ASP A 42 11.041 1.313 -5.729 1.00 73.41 C ATOM 657 C ASP A 42 9.858 2.308 -5.651 1.00 74.34 C ATOM 658 O ASP A 42 9.894 3.382 -6.258 1.00 44.31 O ATOM 659 CB ASP A 42 10.751 0.198 -6.773 1.00 13.01 C ATOM 660 CG ASP A 42 10.647 0.727 -8.221 1.00 74.22 C ATOM 661 OD1 ASP A 42 9.551 1.155 -8.646 1.00 31.30 O ATOM 662 OD2 ASP A 42 11.672 0.732 -8.939 1.00 22.40 O ATOM 0 H ASP A 42 11.146 -0.288 -4.366 1.00 14.35 H new ATOM 0 HA ASP A 42 11.925 1.865 -6.047 1.00 73.41 H new ATOM 0 HB2 ASP A 42 11.542 -0.551 -6.723 1.00 13.01 H new ATOM 0 HB3 ASP A 42 9.820 -0.303 -6.509 1.00 13.01 H new ATOM 667 N ILE A 43 8.826 1.931 -4.878 1.00 35.23 N ATOM 668 CA ILE A 43 7.609 2.744 -4.679 1.00 63.33 C ATOM 669 C ILE A 43 7.923 4.021 -3.880 1.00 11.41 C ATOM 670 O ILE A 43 7.509 5.113 -4.262 1.00 71.21 O ATOM 671 CB ILE A 43 6.493 1.918 -3.946 1.00 21.00 C ATOM 672 CG1 ILE A 43 6.024 0.720 -4.835 1.00 71.35 C ATOM 673 CG2 ILE A 43 5.302 2.826 -3.549 1.00 30.11 C ATOM 674 CD1 ILE A 43 5.169 -0.305 -4.112 1.00 13.31 C ATOM 0 H ILE A 43 8.810 1.047 -4.369 1.00 35.23 H new ATOM 0 HA ILE A 43 7.242 3.030 -5.665 1.00 63.33 H new ATOM 0 HB ILE A 43 6.915 1.510 -3.027 1.00 21.00 H new ATOM 0 HG12 ILE A 43 5.461 1.112 -5.682 1.00 71.35 H new ATOM 0 HG13 ILE A 43 6.903 0.219 -5.241 1.00 71.35 H new ATOM 0 HG21 ILE A 43 4.543 2.230 -3.043 1.00 30.11 H new ATOM 0 HG22 ILE A 43 5.651 3.612 -2.880 1.00 30.11 H new ATOM 0 HG23 ILE A 43 4.873 3.276 -4.444 1.00 30.11 H new ATOM 0 HD11 ILE A 43 4.890 -1.099 -4.804 1.00 13.31 H new ATOM 0 HD12 ILE A 43 5.734 -0.729 -3.282 1.00 13.31 H new ATOM 0 HD13 ILE A 43 4.269 0.177 -3.730 1.00 13.31 H new ATOM 686 N ILE A 44 8.663 3.860 -2.773 1.00 2.32 N ATOM 687 CA ILE A 44 9.082 4.984 -1.913 1.00 41.53 C ATOM 688 C ILE A 44 10.035 5.919 -2.704 1.00 63.43 C ATOM 689 O ILE A 44 10.001 7.145 -2.529 1.00 22.54 O ATOM 690 CB ILE A 44 9.732 4.443 -0.582 1.00 21.42 C ATOM 691 CG1 ILE A 44 8.694 3.543 0.182 1.00 75.03 C ATOM 692 CG2 ILE A 44 10.244 5.595 0.321 1.00 2.43 C ATOM 693 CD1 ILE A 44 9.234 2.835 1.410 1.00 54.44 C ATOM 0 H ILE A 44 8.989 2.950 -2.447 1.00 2.32 H new ATOM 0 HA ILE A 44 8.212 5.572 -1.622 1.00 41.53 H new ATOM 0 HB ILE A 44 10.602 3.841 -0.845 1.00 21.42 H new ATOM 0 HG12 ILE A 44 7.850 4.164 0.482 1.00 75.03 H new ATOM 0 HG13 ILE A 44 8.308 2.794 -0.510 1.00 75.03 H new ATOM 0 HG21 ILE A 44 10.684 5.179 1.227 1.00 2.43 H new ATOM 0 HG22 ILE A 44 10.997 6.171 -0.217 1.00 2.43 H new ATOM 0 HG23 ILE A 44 9.411 6.246 0.588 1.00 2.43 H new ATOM 0 HD11 ILE A 44 8.442 2.241 1.865 1.00 54.44 H new ATOM 0 HD12 ILE A 44 10.057 2.182 1.121 1.00 54.44 H new ATOM 0 HD13 ILE A 44 9.592 3.573 2.128 1.00 54.44 H new ATOM 705 N LYS A 45 10.808 5.329 -3.644 1.00 13.34 N ATOM 706 CA LYS A 45 11.686 6.082 -4.568 1.00 55.31 C ATOM 707 C LYS A 45 10.809 6.848 -5.601 1.00 33.54 C ATOM 708 O LYS A 45 11.174 7.933 -6.053 1.00 31.24 O ATOM 709 CB LYS A 45 12.698 5.112 -5.275 1.00 52.23 C ATOM 710 CG LYS A 45 14.108 5.700 -5.584 1.00 70.40 C ATOM 711 CD LYS A 45 14.123 6.830 -6.638 1.00 25.41 C ATOM 712 CE LYS A 45 13.623 6.370 -8.017 1.00 52.01 C ATOM 713 NZ LYS A 45 13.639 7.473 -9.014 1.00 1.34 N ATOM 0 H LYS A 45 10.841 4.319 -3.783 1.00 13.34 H new ATOM 0 HA LYS A 45 12.273 6.809 -4.007 1.00 55.31 H new ATOM 0 HB2 LYS A 45 12.824 4.230 -4.647 1.00 52.23 H new ATOM 0 HB3 LYS A 45 12.254 4.775 -6.212 1.00 52.23 H new ATOM 0 HG2 LYS A 45 14.538 6.081 -4.658 1.00 70.40 H new ATOM 0 HG3 LYS A 45 14.755 4.893 -5.928 1.00 70.40 H new ATOM 0 HD2 LYS A 45 13.501 7.654 -6.288 1.00 25.41 H new ATOM 0 HD3 LYS A 45 15.138 7.215 -6.735 1.00 25.41 H new ATOM 0 HE2 LYS A 45 14.247 5.550 -8.374 1.00 52.01 H new ATOM 0 HE3 LYS A 45 12.609 5.981 -7.923 1.00 52.01 H new ATOM 0 HZ1 LYS A 45 12.665 7.690 -9.307 1.00 1.34 H new ATOM 0 HZ2 LYS A 45 14.070 8.319 -8.589 1.00 1.34 H new ATOM 0 HZ3 LYS A 45 14.193 7.182 -9.844 1.00 1.34 H new ATOM 727 N SER A 46 9.640 6.278 -5.948 1.00 44.22 N ATOM 728 CA SER A 46 8.649 6.946 -6.817 1.00 31.15 C ATOM 729 C SER A 46 8.003 8.134 -6.071 1.00 62.13 C ATOM 730 O SER A 46 7.640 9.144 -6.684 1.00 23.11 O ATOM 731 CB SER A 46 7.569 5.942 -7.289 1.00 21.05 C ATOM 732 OG SER A 46 6.678 6.536 -8.221 1.00 42.02 O ATOM 0 H SER A 46 9.356 5.349 -5.638 1.00 44.22 H new ATOM 0 HA SER A 46 9.162 7.328 -7.700 1.00 31.15 H new ATOM 0 HB2 SER A 46 8.050 5.076 -7.745 1.00 21.05 H new ATOM 0 HB3 SER A 46 7.008 5.579 -6.428 1.00 21.05 H new ATOM 0 HG SER A 46 5.956 6.991 -7.739 1.00 42.02 H new ATOM 738 N MET A 47 7.891 8.000 -4.735 1.00 3.52 N ATOM 739 CA MET A 47 7.375 9.063 -3.852 1.00 73.30 C ATOM 740 C MET A 47 8.453 10.137 -3.622 1.00 4.24 C ATOM 741 O MET A 47 8.145 11.244 -3.184 1.00 63.34 O ATOM 742 CB MET A 47 6.875 8.476 -2.500 1.00 75.13 C ATOM 743 CG MET A 47 5.891 7.306 -2.658 1.00 12.32 C ATOM 744 SD MET A 47 4.919 6.967 -1.182 1.00 42.12 S ATOM 745 CE MET A 47 3.848 8.402 -1.158 1.00 74.34 C ATOM 0 H MET A 47 8.156 7.150 -4.237 1.00 3.52 H new ATOM 0 HA MET A 47 6.522 9.531 -4.343 1.00 73.30 H new ATOM 0 HB2 MET A 47 7.735 8.140 -1.920 1.00 75.13 H new ATOM 0 HB3 MET A 47 6.394 9.268 -1.926 1.00 75.13 H new ATOM 0 HG2 MET A 47 5.215 7.522 -3.485 1.00 12.32 H new ATOM 0 HG3 MET A 47 6.448 6.409 -2.928 1.00 12.32 H new ATOM 0 HE1 MET A 47 3.842 8.835 -0.158 1.00 74.34 H new ATOM 0 HE2 MET A 47 4.214 9.141 -1.871 1.00 74.34 H new ATOM 0 HE3 MET A 47 2.835 8.105 -1.431 1.00 74.34 H new ATOM 755 N LYS A 48 9.724 9.770 -3.886 1.00 53.15 N ATOM 756 CA LYS A 48 10.839 10.724 -3.978 1.00 13.30 C ATOM 757 C LYS A 48 10.773 11.536 -5.288 1.00 11.22 C ATOM 758 O LYS A 48 11.094 12.727 -5.290 1.00 23.42 O ATOM 759 CB LYS A 48 12.198 9.981 -3.872 1.00 45.31 C ATOM 760 CG LYS A 48 12.460 9.224 -2.547 1.00 14.55 C ATOM 761 CD LYS A 48 13.041 10.112 -1.425 1.00 45.40 C ATOM 762 CE LYS A 48 12.038 11.077 -0.789 1.00 43.12 C ATOM 763 NZ LYS A 48 12.702 11.919 0.235 1.00 31.45 N ATOM 0 H LYS A 48 10.002 8.801 -4.041 1.00 53.15 H new ATOM 0 HA LYS A 48 10.753 11.421 -3.145 1.00 13.30 H new ATOM 0 HB2 LYS A 48 12.264 9.267 -4.693 1.00 45.31 H new ATOM 0 HB3 LYS A 48 12.998 10.707 -4.016 1.00 45.31 H new ATOM 0 HG2 LYS A 48 11.525 8.783 -2.201 1.00 14.55 H new ATOM 0 HG3 LYS A 48 13.149 8.401 -2.740 1.00 14.55 H new ATOM 0 HD2 LYS A 48 13.450 9.468 -0.646 1.00 45.40 H new ATOM 0 HD3 LYS A 48 13.872 10.689 -1.830 1.00 45.40 H new ATOM 0 HE2 LYS A 48 11.597 11.711 -1.558 1.00 43.12 H new ATOM 0 HE3 LYS A 48 11.223 10.515 -0.333 1.00 43.12 H new ATOM 0 HZ1 LYS A 48 12.297 11.713 1.170 1.00 31.45 H new ATOM 0 HZ2 LYS A 48 13.721 11.713 0.246 1.00 31.45 H new ATOM 0 HZ3 LYS A 48 12.555 12.923 0.008 1.00 31.45 H new ATOM 777 N ASP A 49 10.358 10.873 -6.391 1.00 2.31 N ATOM 778 CA ASP A 49 10.177 11.534 -7.706 1.00 25.23 C ATOM 779 C ASP A 49 9.050 12.573 -7.622 1.00 71.35 C ATOM 780 O ASP A 49 9.210 13.729 -8.029 1.00 65.21 O ATOM 781 CB ASP A 49 9.849 10.498 -8.819 1.00 72.01 C ATOM 782 CG ASP A 49 11.015 9.548 -9.145 1.00 65.11 C ATOM 783 OD1 ASP A 49 12.096 10.039 -9.520 1.00 43.05 O ATOM 784 OD2 ASP A 49 10.867 8.314 -9.025 1.00 25.15 O ATOM 0 H ASP A 49 10.141 9.876 -6.397 1.00 2.31 H new ATOM 0 HA ASP A 49 11.113 12.029 -7.963 1.00 25.23 H new ATOM 0 HB2 ASP A 49 8.987 9.907 -8.510 1.00 72.01 H new ATOM 0 HB3 ASP A 49 9.562 11.031 -9.726 1.00 72.01 H new ATOM 789 N ASN A 50 7.920 12.138 -7.061 1.00 20.34 N ATOM 790 CA ASN A 50 6.735 12.974 -6.850 1.00 14.40 C ATOM 791 C ASN A 50 5.993 12.461 -5.615 1.00 52.13 C ATOM 792 O ASN A 50 5.547 11.302 -5.596 1.00 51.30 O ATOM 793 CB ASN A 50 5.805 12.960 -8.103 1.00 52.10 C ATOM 794 CG ASN A 50 4.535 13.820 -7.970 1.00 21.10 C ATOM 795 OD1 ASN A 50 3.481 13.469 -8.502 1.00 34.54 O ATOM 796 ND2 ASN A 50 4.619 14.961 -7.290 1.00 34.01 N ATOM 0 H ASN A 50 7.800 11.179 -6.735 1.00 20.34 H new ATOM 0 HA ASN A 50 7.043 14.008 -6.692 1.00 14.40 H new ATOM 0 HB2 ASN A 50 6.374 13.307 -8.965 1.00 52.10 H new ATOM 0 HB3 ASN A 50 5.511 11.931 -8.309 1.00 52.10 H new ATOM 0 HD21 ASN A 50 3.801 15.564 -7.202 1.00 34.01 H new ATOM 0 HD22 ASN A 50 5.502 15.233 -6.857 1.00 34.01 H new ATOM 803 N GLY A 51 5.878 13.329 -4.587 1.00 45.20 N ATOM 804 CA GLY A 51 5.213 12.987 -3.326 1.00 53.35 C ATOM 805 C GLY A 51 3.699 13.117 -3.402 1.00 15.20 C ATOM 806 O GLY A 51 3.095 13.955 -2.720 1.00 54.21 O ATOM 0 H GLY A 51 6.244 14.281 -4.614 1.00 45.20 H new ATOM 0 HA2 GLY A 51 5.472 11.965 -3.050 1.00 53.35 H new ATOM 0 HA3 GLY A 51 5.589 13.636 -2.535 1.00 53.35 H new ATOM 810 N LYS A 52 3.094 12.267 -4.238 1.00 52.31 N ATOM 811 CA LYS A 52 1.633 12.166 -4.401 1.00 50.14 C ATOM 812 C LYS A 52 1.061 11.137 -3.397 1.00 32.43 C ATOM 813 O LYS A 52 1.832 10.380 -2.792 1.00 4.25 O ATOM 814 CB LYS A 52 1.301 11.735 -5.861 1.00 41.32 C ATOM 815 CG LYS A 52 1.839 10.341 -6.268 1.00 13.33 C ATOM 816 CD LYS A 52 1.282 9.867 -7.631 1.00 0.10 C ATOM 817 CE LYS A 52 1.664 10.800 -8.791 1.00 13.02 C ATOM 818 NZ LYS A 52 1.085 10.345 -10.085 1.00 74.50 N ATOM 0 H LYS A 52 3.610 11.618 -4.832 1.00 52.31 H new ATOM 0 HA LYS A 52 1.179 13.137 -4.204 1.00 50.14 H new ATOM 0 HB2 LYS A 52 0.219 11.742 -5.989 1.00 41.32 H new ATOM 0 HB3 LYS A 52 1.708 12.479 -6.545 1.00 41.32 H new ATOM 0 HG2 LYS A 52 2.927 10.375 -6.316 1.00 13.33 H new ATOM 0 HG3 LYS A 52 1.576 9.615 -5.499 1.00 13.33 H new ATOM 0 HD2 LYS A 52 1.654 8.864 -7.841 1.00 0.10 H new ATOM 0 HD3 LYS A 52 0.196 9.798 -7.570 1.00 0.10 H new ATOM 0 HE2 LYS A 52 1.317 11.810 -8.573 1.00 13.02 H new ATOM 0 HE3 LYS A 52 2.750 10.847 -8.876 1.00 13.02 H new ATOM 0 HZ1 LYS A 52 1.280 11.053 -10.821 1.00 74.50 H new ATOM 0 HZ2 LYS A 52 1.513 9.437 -10.356 1.00 74.50 H new ATOM 0 HZ3 LYS A 52 0.057 10.227 -9.983 1.00 74.50 H new ATOM 832 N PRO A 53 -0.289 11.099 -3.175 1.00 74.33 N ATOM 833 CA PRO A 53 -0.922 9.999 -2.418 1.00 34.44 C ATOM 834 C PRO A 53 -0.922 8.672 -3.213 1.00 34.23 C ATOM 835 O PRO A 53 -1.370 8.625 -4.371 1.00 62.31 O ATOM 836 CB PRO A 53 -2.353 10.513 -2.161 1.00 54.33 C ATOM 837 CG PRO A 53 -2.620 11.484 -3.269 1.00 23.31 C ATOM 838 CD PRO A 53 -1.289 12.132 -3.583 1.00 12.41 C ATOM 0 HA PRO A 53 -0.387 9.764 -1.498 1.00 34.44 H new ATOM 0 HB2 PRO A 53 -3.074 9.695 -2.170 1.00 54.33 H new ATOM 0 HB3 PRO A 53 -2.430 10.995 -1.186 1.00 54.33 H new ATOM 0 HG2 PRO A 53 -3.023 10.976 -4.145 1.00 23.31 H new ATOM 0 HG3 PRO A 53 -3.355 12.229 -2.966 1.00 23.31 H new ATOM 0 HD2 PRO A 53 -1.203 12.377 -4.642 1.00 12.41 H new ATOM 0 HD3 PRO A 53 -1.155 13.061 -3.029 1.00 12.41 H new ATOM 846 N LEU A 54 -0.401 7.608 -2.589 1.00 0.12 N ATOM 847 CA LEU A 54 -0.385 6.248 -3.168 1.00 14.14 C ATOM 848 C LEU A 54 -1.039 5.259 -2.201 1.00 52.03 C ATOM 849 O LEU A 54 -1.255 5.573 -1.031 1.00 43.54 O ATOM 850 CB LEU A 54 1.077 5.808 -3.493 1.00 55.12 C ATOM 851 CG LEU A 54 1.760 6.536 -4.692 1.00 51.40 C ATOM 852 CD1 LEU A 54 3.246 6.143 -4.823 1.00 13.32 C ATOM 853 CD2 LEU A 54 0.999 6.262 -6.008 1.00 14.04 C ATOM 0 H LEU A 54 0.025 7.661 -1.664 1.00 0.12 H new ATOM 0 HA LEU A 54 -0.953 6.257 -4.098 1.00 14.14 H new ATOM 0 HB2 LEU A 54 1.688 5.963 -2.604 1.00 55.12 H new ATOM 0 HB3 LEU A 54 1.076 4.737 -3.697 1.00 55.12 H new ATOM 0 HG LEU A 54 1.721 7.607 -4.491 1.00 51.40 H new ATOM 0 HD11 LEU A 54 3.688 6.670 -5.669 1.00 13.32 H new ATOM 0 HD12 LEU A 54 3.776 6.414 -3.910 1.00 13.32 H new ATOM 0 HD13 LEU A 54 3.325 5.068 -4.983 1.00 13.32 H new ATOM 0 HD21 LEU A 54 1.494 6.780 -6.829 1.00 14.04 H new ATOM 0 HD22 LEU A 54 0.991 5.190 -6.207 1.00 14.04 H new ATOM 0 HD23 LEU A 54 -0.026 6.622 -5.917 1.00 14.04 H new ATOM 865 N VAL A 55 -1.369 4.062 -2.707 1.00 61.43 N ATOM 866 CA VAL A 55 -1.891 2.949 -1.901 1.00 0.22 C ATOM 867 C VAL A 55 -1.124 1.671 -2.286 1.00 43.42 C ATOM 868 O VAL A 55 -1.331 1.139 -3.374 1.00 71.11 O ATOM 869 CB VAL A 55 -3.446 2.743 -2.121 1.00 53.53 C ATOM 870 CG1 VAL A 55 -3.965 1.547 -1.302 1.00 2.05 C ATOM 871 CG2 VAL A 55 -4.250 4.025 -1.783 1.00 14.05 C ATOM 0 H VAL A 55 -1.280 3.837 -3.698 1.00 61.43 H new ATOM 0 HA VAL A 55 -1.746 3.178 -0.845 1.00 0.22 H new ATOM 0 HB VAL A 55 -3.596 2.529 -3.179 1.00 53.53 H new ATOM 0 HG11 VAL A 55 -5.035 1.427 -1.471 1.00 2.05 H new ATOM 0 HG12 VAL A 55 -3.445 0.641 -1.612 1.00 2.05 H new ATOM 0 HG13 VAL A 55 -3.783 1.725 -0.242 1.00 2.05 H new ATOM 0 HG21 VAL A 55 -5.312 3.842 -1.947 1.00 14.05 H new ATOM 0 HG22 VAL A 55 -4.085 4.294 -0.740 1.00 14.05 H new ATOM 0 HG23 VAL A 55 -3.919 4.842 -2.425 1.00 14.05 H new ATOM 881 N VAL A 56 -0.209 1.212 -1.418 1.00 62.35 N ATOM 882 CA VAL A 56 0.636 0.027 -1.683 1.00 31.43 C ATOM 883 C VAL A 56 -0.027 -1.268 -1.188 1.00 1.23 C ATOM 884 O VAL A 56 -0.100 -1.509 0.016 1.00 24.15 O ATOM 885 CB VAL A 56 2.050 0.183 -1.013 1.00 41.12 C ATOM 886 CG1 VAL A 56 2.943 -1.064 -1.227 1.00 30.34 C ATOM 887 CG2 VAL A 56 2.746 1.446 -1.534 1.00 54.35 C ATOM 0 H VAL A 56 -0.031 1.648 -0.513 1.00 62.35 H new ATOM 0 HA VAL A 56 0.757 -0.040 -2.764 1.00 31.43 H new ATOM 0 HB VAL A 56 1.894 0.279 0.061 1.00 41.12 H new ATOM 0 HG11 VAL A 56 3.908 -0.907 -0.746 1.00 30.34 H new ATOM 0 HG12 VAL A 56 2.458 -1.938 -0.792 1.00 30.34 H new ATOM 0 HG13 VAL A 56 3.092 -1.226 -2.295 1.00 30.34 H new ATOM 0 HG21 VAL A 56 3.724 1.543 -1.063 1.00 54.35 H new ATOM 0 HG22 VAL A 56 2.869 1.374 -2.615 1.00 54.35 H new ATOM 0 HG23 VAL A 56 2.140 2.320 -1.295 1.00 54.35 H new ATOM 897 N PHE A 57 -0.511 -2.094 -2.128 1.00 14.51 N ATOM 898 CA PHE A 57 -0.942 -3.468 -1.835 1.00 2.43 C ATOM 899 C PHE A 57 0.284 -4.388 -1.840 1.00 61.33 C ATOM 900 O PHE A 57 0.855 -4.659 -2.905 1.00 53.42 O ATOM 901 CB PHE A 57 -1.981 -3.941 -2.882 1.00 25.04 C ATOM 902 CG PHE A 57 -3.321 -3.215 -2.803 1.00 31.34 C ATOM 903 CD1 PHE A 57 -3.501 -1.964 -3.397 1.00 2.34 C ATOM 904 CD2 PHE A 57 -4.401 -3.782 -2.125 1.00 1.32 C ATOM 905 CE1 PHE A 57 -4.717 -1.308 -3.311 1.00 74.30 C ATOM 906 CE2 PHE A 57 -5.611 -3.124 -2.043 1.00 52.01 C ATOM 907 CZ PHE A 57 -5.769 -1.887 -2.636 1.00 3.24 C ATOM 0 H PHE A 57 -0.614 -1.829 -3.108 1.00 14.51 H new ATOM 0 HA PHE A 57 -1.414 -3.501 -0.853 1.00 2.43 H new ATOM 0 HB2 PHE A 57 -1.564 -3.803 -3.880 1.00 25.04 H new ATOM 0 HB3 PHE A 57 -2.151 -5.010 -2.752 1.00 25.04 H new ATOM 0 HD1 PHE A 57 -2.682 -1.503 -3.930 1.00 2.34 H new ATOM 0 HD2 PHE A 57 -4.288 -4.749 -1.658 1.00 1.32 H new ATOM 0 HE1 PHE A 57 -4.841 -0.340 -3.774 1.00 74.30 H new ATOM 0 HE2 PHE A 57 -6.436 -3.577 -1.514 1.00 52.01 H new ATOM 0 HZ PHE A 57 -6.717 -1.374 -2.571 1.00 3.24 H new ATOM 917 N VAL A 58 0.701 -4.839 -0.648 1.00 44.45 N ATOM 918 CA VAL A 58 1.802 -5.797 -0.508 1.00 24.32 C ATOM 919 C VAL A 58 1.234 -7.220 -0.591 1.00 40.44 C ATOM 920 O VAL A 58 0.422 -7.632 0.247 1.00 54.14 O ATOM 921 CB VAL A 58 2.651 -5.574 0.804 1.00 33.34 C ATOM 922 CG1 VAL A 58 3.364 -4.214 0.765 1.00 33.34 C ATOM 923 CG2 VAL A 58 1.821 -5.702 2.095 1.00 63.14 C ATOM 0 H VAL A 58 0.287 -4.551 0.239 1.00 44.45 H new ATOM 0 HA VAL A 58 2.503 -5.637 -1.327 1.00 24.32 H new ATOM 0 HB VAL A 58 3.392 -6.373 0.826 1.00 33.34 H new ATOM 0 HG11 VAL A 58 3.943 -4.081 1.679 1.00 33.34 H new ATOM 0 HG12 VAL A 58 4.031 -4.177 -0.096 1.00 33.34 H new ATOM 0 HG13 VAL A 58 2.624 -3.418 0.685 1.00 33.34 H new ATOM 0 HG21 VAL A 58 2.465 -5.538 2.959 1.00 63.14 H new ATOM 0 HG22 VAL A 58 1.023 -4.959 2.090 1.00 63.14 H new ATOM 0 HG23 VAL A 58 1.387 -6.700 2.151 1.00 63.14 H new ATOM 933 N ASN A 59 1.639 -7.940 -1.644 1.00 12.41 N ATOM 934 CA ASN A 59 1.129 -9.283 -1.966 1.00 45.41 C ATOM 935 C ASN A 59 1.755 -10.338 -1.038 1.00 22.21 C ATOM 936 O ASN A 59 2.682 -11.059 -1.425 1.00 24.23 O ATOM 937 CB ASN A 59 1.376 -9.598 -3.475 1.00 75.33 C ATOM 938 CG ASN A 59 0.606 -8.671 -4.433 1.00 45.24 C ATOM 939 OD1 ASN A 59 0.231 -7.550 -4.090 1.00 31.22 O ATOM 940 ND2 ASN A 59 0.394 -9.120 -5.656 1.00 30.21 N ATOM 0 H ASN A 59 2.339 -7.604 -2.306 1.00 12.41 H new ATOM 0 HA ASN A 59 0.053 -9.312 -1.795 1.00 45.41 H new ATOM 0 HB2 ASN A 59 2.443 -9.518 -3.684 1.00 75.33 H new ATOM 0 HB3 ASN A 59 1.089 -10.631 -3.674 1.00 75.33 H new ATOM 0 HD21 ASN A 59 -0.089 -8.535 -6.338 1.00 30.21 H new ATOM 0 HD22 ASN A 59 0.713 -10.052 -5.919 1.00 30.21 H new ATOM 947 N GLY A 60 1.237 -10.382 0.208 1.00 35.32 N ATOM 948 CA GLY A 60 1.714 -11.296 1.247 1.00 32.32 C ATOM 949 C GLY A 60 3.176 -11.079 1.623 1.00 4.01 C ATOM 950 O GLY A 60 3.900 -12.043 1.907 1.00 45.45 O ATOM 0 H GLY A 60 0.474 -9.779 0.514 1.00 35.32 H new ATOM 0 HA2 GLY A 60 1.096 -11.176 2.137 1.00 32.32 H new ATOM 0 HA3 GLY A 60 1.584 -12.323 0.905 1.00 32.32 H new ATOM 954 N ALA A 61 3.604 -9.802 1.610 1.00 2.24 N ATOM 955 CA ALA A 61 4.972 -9.416 1.983 1.00 42.12 C ATOM 956 C ALA A 61 5.159 -9.569 3.502 1.00 62.44 C ATOM 957 O ALA A 61 4.250 -9.245 4.280 1.00 30.32 O ATOM 958 CB ALA A 61 5.274 -7.985 1.529 1.00 54.20 C ATOM 0 H ALA A 61 3.012 -9.016 1.342 1.00 2.24 H new ATOM 0 HA ALA A 61 5.678 -10.076 1.479 1.00 42.12 H new ATOM 0 HB1 ALA A 61 6.292 -7.720 1.815 1.00 54.20 H new ATOM 0 HB2 ALA A 61 5.172 -7.918 0.446 1.00 54.20 H new ATOM 0 HB3 ALA A 61 4.573 -7.298 2.002 1.00 54.20 H new ATOM 964 N SER A 62 6.347 -10.048 3.904 1.00 51.33 N ATOM 965 CA SER A 62 6.635 -10.457 5.286 1.00 42.21 C ATOM 966 C SER A 62 6.924 -9.241 6.183 1.00 1.12 C ATOM 967 O SER A 62 6.990 -8.102 5.699 1.00 24.10 O ATOM 968 CB SER A 62 7.836 -11.427 5.277 1.00 21.03 C ATOM 969 OG SER A 62 7.609 -12.507 4.386 1.00 40.31 O ATOM 0 H SER A 62 7.140 -10.163 3.273 1.00 51.33 H new ATOM 0 HA SER A 62 5.759 -10.958 5.699 1.00 42.21 H new ATOM 0 HB2 SER A 62 8.739 -10.891 4.983 1.00 21.03 H new ATOM 0 HB3 SER A 62 8.006 -11.810 6.283 1.00 21.03 H new ATOM 0 HG SER A 62 8.384 -13.107 4.396 1.00 40.31 H new ATOM 975 N GLN A 63 7.118 -9.520 7.489 1.00 43.41 N ATOM 976 CA GLN A 63 7.393 -8.507 8.526 1.00 22.51 C ATOM 977 C GLN A 63 8.591 -7.610 8.149 1.00 41.14 C ATOM 978 O GLN A 63 8.525 -6.394 8.308 1.00 4.53 O ATOM 979 CB GLN A 63 7.653 -9.199 9.897 1.00 3.52 C ATOM 980 CG GLN A 63 7.960 -8.232 11.065 1.00 60.31 C ATOM 981 CD GLN A 63 6.806 -7.281 11.400 1.00 24.32 C ATOM 982 OE1 GLN A 63 5.631 -7.637 11.286 1.00 74.44 O ATOM 983 NE2 GLN A 63 7.135 -6.059 11.782 1.00 22.20 N ATOM 0 H GLN A 63 7.087 -10.471 7.857 1.00 43.41 H new ATOM 0 HA GLN A 63 6.513 -7.868 8.604 1.00 22.51 H new ATOM 0 HB2 GLN A 63 6.779 -9.796 10.158 1.00 3.52 H new ATOM 0 HB3 GLN A 63 8.489 -9.890 9.787 1.00 3.52 H new ATOM 0 HG2 GLN A 63 8.207 -8.815 11.952 1.00 60.31 H new ATOM 0 HG3 GLN A 63 8.843 -7.643 10.815 1.00 60.31 H new ATOM 0 HE21 GLN A 63 8.117 -5.798 11.866 1.00 22.20 H new ATOM 0 HE22 GLN A 63 6.406 -5.377 11.993 1.00 22.20 H new ATOM 992 N ASN A 64 9.665 -8.238 7.626 1.00 32.31 N ATOM 993 CA ASN A 64 10.913 -7.532 7.247 1.00 43.13 C ATOM 994 C ASN A 64 10.712 -6.625 6.019 1.00 21.41 C ATOM 995 O ASN A 64 11.374 -5.591 5.906 1.00 10.11 O ATOM 996 CB ASN A 64 12.070 -8.543 7.006 1.00 30.03 C ATOM 997 CG ASN A 64 12.565 -9.209 8.297 1.00 65.23 C ATOM 998 OD1 ASN A 64 12.473 -8.633 9.386 1.00 5.23 O ATOM 999 ND2 ASN A 64 13.108 -10.409 8.183 1.00 35.24 N ATOM 0 H ASN A 64 9.695 -9.243 7.454 1.00 32.31 H new ATOM 0 HA ASN A 64 11.187 -6.888 8.083 1.00 43.13 H new ATOM 0 HB2 ASN A 64 11.733 -9.314 6.313 1.00 30.03 H new ATOM 0 HB3 ASN A 64 12.902 -8.026 6.528 1.00 30.03 H new ATOM 0 HD21 ASN A 64 13.467 -10.887 9.010 1.00 35.24 H new ATOM 0 HD22 ASN A 64 13.168 -10.857 7.268 1.00 35.24 H new ATOM 1006 N ASP A 65 9.790 -7.012 5.116 1.00 51.31 N ATOM 1007 CA ASP A 65 9.427 -6.191 3.934 1.00 12.21 C ATOM 1008 C ASP A 65 8.632 -4.944 4.376 1.00 41.42 C ATOM 1009 O ASP A 65 8.762 -3.853 3.791 1.00 62.13 O ATOM 1010 CB ASP A 65 8.594 -7.012 2.920 1.00 44.40 C ATOM 1011 CG ASP A 65 9.324 -8.263 2.406 1.00 24.25 C ATOM 1012 OD1 ASP A 65 10.088 -8.160 1.432 1.00 74.43 O ATOM 1013 OD2 ASP A 65 9.156 -9.352 2.987 1.00 20.33 O ATOM 0 H ASP A 65 9.278 -7.892 5.180 1.00 51.31 H new ATOM 0 HA ASP A 65 10.350 -5.877 3.446 1.00 12.21 H new ATOM 0 HB2 ASP A 65 7.657 -7.313 3.389 1.00 44.40 H new ATOM 0 HB3 ASP A 65 8.336 -6.376 2.073 1.00 44.40 H new ATOM 1018 N VAL A 66 7.806 -5.131 5.424 1.00 61.14 N ATOM 1019 CA VAL A 66 7.046 -4.039 6.059 1.00 43.12 C ATOM 1020 C VAL A 66 8.003 -3.117 6.841 1.00 3.42 C ATOM 1021 O VAL A 66 7.832 -1.903 6.836 1.00 24.13 O ATOM 1022 CB VAL A 66 5.918 -4.596 7.010 1.00 50.34 C ATOM 1023 CG1 VAL A 66 5.128 -3.452 7.696 1.00 44.35 C ATOM 1024 CG2 VAL A 66 4.974 -5.548 6.233 1.00 21.53 C ATOM 0 H VAL A 66 7.648 -6.043 5.853 1.00 61.14 H new ATOM 0 HA VAL A 66 6.558 -3.464 5.272 1.00 43.12 H new ATOM 0 HB VAL A 66 6.401 -5.167 7.803 1.00 50.34 H new ATOM 0 HG11 VAL A 66 4.360 -3.877 8.343 1.00 44.35 H new ATOM 0 HG12 VAL A 66 5.810 -2.846 8.292 1.00 44.35 H new ATOM 0 HG13 VAL A 66 4.658 -2.828 6.936 1.00 44.35 H new ATOM 0 HG21 VAL A 66 4.202 -5.923 6.905 1.00 21.53 H new ATOM 0 HG22 VAL A 66 4.507 -5.006 5.410 1.00 21.53 H new ATOM 0 HG23 VAL A 66 5.548 -6.386 5.837 1.00 21.53 H new ATOM 1034 N ASN A 67 9.020 -3.722 7.496 1.00 13.32 N ATOM 1035 CA ASN A 67 10.072 -2.982 8.240 1.00 51.44 C ATOM 1036 C ASN A 67 10.875 -2.102 7.273 1.00 64.23 C ATOM 1037 O ASN A 67 11.240 -0.974 7.613 1.00 73.23 O ATOM 1038 CB ASN A 67 11.027 -3.948 9.008 1.00 70.31 C ATOM 1039 CG ASN A 67 10.352 -4.712 10.153 1.00 4.33 C ATOM 1040 OD1 ASN A 67 9.397 -4.233 10.771 1.00 0.22 O ATOM 1041 ND2 ASN A 67 10.845 -5.909 10.444 1.00 35.01 N ATOM 0 H ASN A 67 9.137 -4.735 7.525 1.00 13.32 H new ATOM 0 HA ASN A 67 9.577 -2.353 8.980 1.00 51.44 H new ATOM 0 HB2 ASN A 67 11.445 -4.666 8.302 1.00 70.31 H new ATOM 0 HB3 ASN A 67 11.861 -3.374 9.410 1.00 70.31 H new ATOM 0 HD21 ASN A 67 10.434 -6.461 11.197 1.00 35.01 H new ATOM 0 HD22 ASN A 67 11.635 -6.278 9.915 1.00 35.01 H new ATOM 1048 N GLU A 68 11.118 -2.630 6.056 1.00 24.41 N ATOM 1049 CA GLU A 68 11.724 -1.861 4.963 1.00 63.41 C ATOM 1050 C GLU A 68 10.858 -0.637 4.627 1.00 53.12 C ATOM 1051 O GLU A 68 11.365 0.480 4.572 1.00 40.42 O ATOM 1052 CB GLU A 68 11.923 -2.737 3.696 1.00 44.21 C ATOM 1053 CG GLU A 68 13.048 -3.776 3.806 1.00 11.30 C ATOM 1054 CD GLU A 68 14.425 -3.145 4.080 1.00 60.23 C ATOM 1055 OE1 GLU A 68 14.873 -2.303 3.279 1.00 71.11 O ATOM 1056 OE2 GLU A 68 15.063 -3.487 5.098 1.00 20.41 O ATOM 0 H GLU A 68 10.899 -3.595 5.810 1.00 24.41 H new ATOM 0 HA GLU A 68 12.705 -1.524 5.298 1.00 63.41 H new ATOM 0 HB2 GLU A 68 10.989 -3.254 3.478 1.00 44.21 H new ATOM 0 HB3 GLU A 68 12.131 -2.084 2.848 1.00 44.21 H new ATOM 0 HG2 GLU A 68 12.810 -4.477 4.606 1.00 11.30 H new ATOM 0 HG3 GLU A 68 13.096 -4.351 2.881 1.00 11.30 H new ATOM 1063 N PHE A 69 9.545 -0.868 4.441 1.00 32.14 N ATOM 1064 CA PHE A 69 8.593 0.199 4.077 1.00 14.41 C ATOM 1065 C PHE A 69 8.561 1.319 5.131 1.00 23.44 C ATOM 1066 O PHE A 69 8.598 2.509 4.792 1.00 24.31 O ATOM 1067 CB PHE A 69 7.168 -0.375 3.864 1.00 74.22 C ATOM 1068 CG PHE A 69 6.225 0.594 3.148 1.00 4.13 C ATOM 1069 CD1 PHE A 69 6.159 0.616 1.755 1.00 0.24 C ATOM 1070 CD2 PHE A 69 5.420 1.492 3.856 1.00 64.13 C ATOM 1071 CE1 PHE A 69 5.321 1.484 1.096 1.00 22.15 C ATOM 1072 CE2 PHE A 69 4.582 2.361 3.192 1.00 2.24 C ATOM 1073 CZ PHE A 69 4.535 2.353 1.812 1.00 4.22 C ATOM 0 H PHE A 69 9.117 -1.789 4.537 1.00 32.14 H new ATOM 0 HA PHE A 69 8.941 0.630 3.138 1.00 14.41 H new ATOM 0 HB2 PHE A 69 7.238 -1.297 3.286 1.00 74.22 H new ATOM 0 HB3 PHE A 69 6.741 -0.637 4.832 1.00 74.22 H new ATOM 0 HD1 PHE A 69 6.777 -0.061 1.184 1.00 0.24 H new ATOM 0 HD2 PHE A 69 5.456 1.504 4.935 1.00 64.13 H new ATOM 0 HE1 PHE A 69 5.281 1.482 0.017 1.00 22.15 H new ATOM 0 HE2 PHE A 69 3.963 3.048 3.750 1.00 2.24 H new ATOM 0 HZ PHE A 69 3.877 3.034 1.293 1.00 4.22 H new ATOM 1083 N GLN A 70 8.521 0.905 6.404 1.00 61.24 N ATOM 1084 CA GLN A 70 8.431 1.816 7.550 1.00 70.52 C ATOM 1085 C GLN A 70 9.697 2.683 7.651 1.00 21.30 C ATOM 1086 O GLN A 70 9.614 3.913 7.573 1.00 53.32 O ATOM 1087 CB GLN A 70 8.203 1.006 8.854 1.00 43.12 C ATOM 1088 CG GLN A 70 6.847 0.275 8.906 1.00 12.21 C ATOM 1089 CD GLN A 70 6.712 -0.624 10.131 1.00 21.03 C ATOM 1090 OE1 GLN A 70 7.121 -1.880 10.007 1.00 30.33 O flip ATOM 1091 NE2 GLN A 70 6.264 -0.185 11.184 1.00 52.03 N flip ATOM 0 H GLN A 70 8.550 -0.080 6.669 1.00 61.24 H new ATOM 0 HA GLN A 70 7.581 2.483 7.406 1.00 70.52 H new ATOM 0 HB2 GLN A 70 9.004 0.274 8.960 1.00 43.12 H new ATOM 0 HB3 GLN A 70 8.274 1.681 9.707 1.00 43.12 H new ATOM 0 HG2 GLN A 70 6.042 1.010 8.909 1.00 12.21 H new ATOM 0 HG3 GLN A 70 6.727 -0.325 8.004 1.00 12.21 H new ATOM 0 HE21 GLN A 70 5.959 0.787 11.243 1.00 52.03 H new ATOM 0 HE22 GLN A 70 6.196 -0.791 12.002 1.00 52.03 H new ATOM 1100 N ASN A 71 10.866 2.008 7.731 1.00 21.12 N ATOM 1101 CA ASN A 71 12.178 2.644 7.984 1.00 12.21 C ATOM 1102 C ASN A 71 12.582 3.584 6.836 1.00 51.03 C ATOM 1103 O ASN A 71 12.975 4.747 7.084 1.00 22.44 O ATOM 1104 CB ASN A 71 13.261 1.556 8.230 1.00 50.53 C ATOM 1105 CG ASN A 71 13.063 0.805 9.555 1.00 54.01 C ATOM 1106 OD1 ASN A 71 12.650 1.382 10.562 1.00 34.32 O ATOM 1107 ND2 ASN A 71 13.315 -0.493 9.556 1.00 30.15 N ATOM 0 H ASN A 71 10.925 0.996 7.620 1.00 21.12 H new ATOM 0 HA ASN A 71 12.092 3.257 8.881 1.00 12.21 H new ATOM 0 HB2 ASN A 71 13.244 0.841 7.407 1.00 50.53 H new ATOM 0 HB3 ASN A 71 14.246 2.023 8.227 1.00 50.53 H new ATOM 0 HD21 ASN A 71 13.168 -1.040 10.404 1.00 30.15 H new ATOM 0 HD22 ASN A 71 13.656 -0.947 8.709 1.00 30.15 H new ATOM 1114 N GLU A 72 12.444 3.088 5.580 1.00 71.55 N ATOM 1115 CA GLU A 72 12.711 3.895 4.378 1.00 12.13 C ATOM 1116 C GLU A 72 11.828 5.157 4.390 1.00 73.43 C ATOM 1117 O GLU A 72 12.351 6.264 4.521 1.00 10.20 O ATOM 1118 CB GLU A 72 12.479 3.092 3.061 1.00 11.11 C ATOM 1119 CG GLU A 72 13.466 1.935 2.796 1.00 75.41 C ATOM 1120 CD GLU A 72 14.927 2.388 2.653 1.00 41.23 C ATOM 1121 OE1 GLU A 72 15.278 2.983 1.619 1.00 75.11 O ATOM 1122 OE2 GLU A 72 15.732 2.162 3.578 1.00 11.13 O ATOM 0 H GLU A 72 12.149 2.132 5.381 1.00 71.55 H new ATOM 0 HA GLU A 72 13.763 4.179 4.401 1.00 12.13 H new ATOM 0 HB2 GLU A 72 11.468 2.685 3.079 1.00 11.11 H new ATOM 0 HB3 GLU A 72 12.528 3.786 2.222 1.00 11.11 H new ATOM 0 HG2 GLU A 72 13.396 1.216 3.612 1.00 75.41 H new ATOM 0 HG3 GLU A 72 13.166 1.415 1.886 1.00 75.41 H new ATOM 1129 N ALA A 73 10.489 4.957 4.375 1.00 33.11 N ATOM 1130 CA ALA A 73 9.502 6.057 4.249 1.00 52.13 C ATOM 1131 C ALA A 73 9.696 7.156 5.321 1.00 21.10 C ATOM 1132 O ALA A 73 9.744 8.352 4.993 1.00 30.44 O ATOM 1133 CB ALA A 73 8.064 5.510 4.302 1.00 2.41 C ATOM 0 H ALA A 73 10.063 4.033 4.450 1.00 33.11 H new ATOM 0 HA ALA A 73 9.673 6.520 3.277 1.00 52.13 H new ATOM 0 HB1 ALA A 73 7.357 6.335 4.208 1.00 2.41 H new ATOM 0 HB2 ALA A 73 7.912 4.806 3.483 1.00 2.41 H new ATOM 0 HB3 ALA A 73 7.903 5.001 5.252 1.00 2.41 H new ATOM 1139 N LYS A 74 9.881 6.737 6.596 1.00 4.13 N ATOM 1140 CA LYS A 74 10.006 7.686 7.729 1.00 74.24 C ATOM 1141 C LYS A 74 11.316 8.488 7.661 1.00 74.31 C ATOM 1142 O LYS A 74 11.346 9.649 8.087 1.00 4.33 O ATOM 1143 CB LYS A 74 9.820 6.979 9.121 1.00 42.21 C ATOM 1144 CG LYS A 74 10.871 5.911 9.524 1.00 0.03 C ATOM 1145 CD LYS A 74 12.118 6.481 10.240 1.00 11.20 C ATOM 1146 CE LYS A 74 13.152 5.392 10.549 1.00 72.14 C ATOM 1147 NZ LYS A 74 12.599 4.303 11.398 1.00 42.10 N ATOM 0 H LYS A 74 9.947 5.755 6.865 1.00 4.13 H new ATOM 0 HA LYS A 74 9.189 8.401 7.632 1.00 74.24 H new ATOM 0 HB2 LYS A 74 9.810 7.750 9.892 1.00 42.21 H new ATOM 0 HB3 LYS A 74 8.838 6.506 9.130 1.00 42.21 H new ATOM 0 HG2 LYS A 74 10.395 5.179 10.176 1.00 0.03 H new ATOM 0 HG3 LYS A 74 11.192 5.379 8.629 1.00 0.03 H new ATOM 0 HD2 LYS A 74 12.575 7.248 9.615 1.00 11.20 H new ATOM 0 HD3 LYS A 74 11.813 6.965 11.168 1.00 11.20 H new ATOM 0 HE2 LYS A 74 13.518 4.968 9.614 1.00 72.14 H new ATOM 0 HE3 LYS A 74 14.008 5.841 11.053 1.00 72.14 H new ATOM 0 HZ1 LYS A 74 13.172 4.210 12.261 1.00 42.10 H new ATOM 0 HZ2 LYS A 74 11.617 4.529 11.657 1.00 42.10 H new ATOM 0 HZ3 LYS A 74 12.620 3.407 10.871 1.00 42.10 H new ATOM 1161 N LYS A 75 12.404 7.881 7.130 1.00 74.41 N ATOM 1162 CA LYS A 75 13.704 8.581 6.987 1.00 32.23 C ATOM 1163 C LYS A 75 13.776 9.374 5.662 1.00 62.11 C ATOM 1164 O LYS A 75 14.638 10.244 5.509 1.00 22.23 O ATOM 1165 CB LYS A 75 14.897 7.602 7.146 1.00 61.23 C ATOM 1166 CG LYS A 75 15.315 6.849 5.876 1.00 53.52 C ATOM 1167 CD LYS A 75 16.619 6.050 6.076 1.00 21.42 C ATOM 1168 CE LYS A 75 17.294 5.729 4.747 1.00 20.52 C ATOM 1169 NZ LYS A 75 16.418 4.934 3.851 1.00 4.05 N ATOM 0 H LYS A 75 12.409 6.917 6.796 1.00 74.41 H new ATOM 0 HA LYS A 75 13.779 9.307 7.797 1.00 32.23 H new ATOM 0 HB2 LYS A 75 15.757 8.163 7.513 1.00 61.23 H new ATOM 0 HB3 LYS A 75 14.643 6.870 7.913 1.00 61.23 H new ATOM 0 HG2 LYS A 75 14.516 6.169 5.579 1.00 53.52 H new ATOM 0 HG3 LYS A 75 15.448 7.560 5.061 1.00 53.52 H new ATOM 0 HD2 LYS A 75 17.303 6.622 6.703 1.00 21.42 H new ATOM 0 HD3 LYS A 75 16.400 5.123 6.606 1.00 21.42 H new ATOM 0 HE2 LYS A 75 17.573 6.658 4.249 1.00 20.52 H new ATOM 0 HE3 LYS A 75 18.216 5.178 4.933 1.00 20.52 H new ATOM 0 HZ1 LYS A 75 16.977 4.567 3.055 1.00 4.05 H new ATOM 0 HZ2 LYS A 75 16.009 4.139 4.382 1.00 4.05 H new ATOM 0 HZ3 LYS A 75 15.653 5.538 3.488 1.00 4.05 H new ATOM 1183 N GLU A 76 12.866 9.070 4.708 1.00 23.13 N ATOM 1184 CA GLU A 76 12.764 9.826 3.442 1.00 1.54 C ATOM 1185 C GLU A 76 11.903 11.090 3.621 1.00 33.11 C ATOM 1186 O GLU A 76 12.029 12.043 2.844 1.00 14.24 O ATOM 1187 CB GLU A 76 12.169 8.964 2.290 1.00 13.25 C ATOM 1188 CG GLU A 76 12.973 7.709 1.886 1.00 73.42 C ATOM 1189 CD GLU A 76 14.488 7.937 1.762 1.00 24.52 C ATOM 1190 OE1 GLU A 76 14.913 8.747 0.917 1.00 53.15 O ATOM 1191 OE2 GLU A 76 15.266 7.293 2.500 1.00 20.52 O ATOM 0 H GLU A 76 12.194 8.308 4.792 1.00 23.13 H new ATOM 0 HA GLU A 76 13.781 10.111 3.171 1.00 1.54 H new ATOM 0 HB2 GLU A 76 11.167 8.649 2.582 1.00 13.25 H new ATOM 0 HB3 GLU A 76 12.060 9.598 1.410 1.00 13.25 H new ATOM 0 HG2 GLU A 76 12.795 6.926 2.623 1.00 73.42 H new ATOM 0 HG3 GLU A 76 12.594 7.341 0.932 1.00 73.42 H new ATOM 1198 N GLY A 77 11.031 11.083 4.642 1.00 53.40 N ATOM 1199 CA GLY A 77 10.057 12.165 4.855 1.00 12.04 C ATOM 1200 C GLY A 77 8.688 11.844 4.260 1.00 22.15 C ATOM 1201 O GLY A 77 7.796 12.695 4.241 1.00 63.25 O ATOM 0 H GLY A 77 10.981 10.337 5.335 1.00 53.40 H new ATOM 0 HA2 GLY A 77 9.951 12.349 5.924 1.00 12.04 H new ATOM 0 HA3 GLY A 77 10.437 13.084 4.410 1.00 12.04 H new ATOM 1205 N VAL A 78 8.537 10.604 3.777 1.00 63.44 N ATOM 1206 CA VAL A 78 7.289 10.090 3.206 1.00 43.31 C ATOM 1207 C VAL A 78 6.376 9.599 4.343 1.00 41.50 C ATOM 1208 O VAL A 78 6.735 8.662 5.072 1.00 55.11 O ATOM 1209 CB VAL A 78 7.584 8.920 2.189 1.00 62.10 C ATOM 1210 CG1 VAL A 78 6.284 8.287 1.640 1.00 71.02 C ATOM 1211 CG2 VAL A 78 8.498 9.411 1.042 1.00 53.10 C ATOM 0 H VAL A 78 9.293 9.919 3.773 1.00 63.44 H new ATOM 0 HA VAL A 78 6.788 10.890 2.661 1.00 43.31 H new ATOM 0 HB VAL A 78 8.110 8.137 2.734 1.00 62.10 H new ATOM 0 HG11 VAL A 78 6.535 7.486 0.944 1.00 71.02 H new ATOM 0 HG12 VAL A 78 5.700 7.880 2.466 1.00 71.02 H new ATOM 0 HG13 VAL A 78 5.699 9.048 1.123 1.00 71.02 H new ATOM 0 HG21 VAL A 78 8.689 8.589 0.352 1.00 53.10 H new ATOM 0 HG22 VAL A 78 8.007 10.226 0.509 1.00 53.10 H new ATOM 0 HG23 VAL A 78 9.442 9.765 1.455 1.00 53.10 H new ATOM 1221 N SER A 79 5.220 10.264 4.503 1.00 3.21 N ATOM 1222 CA SER A 79 4.163 9.851 5.440 1.00 53.21 C ATOM 1223 C SER A 79 3.557 8.519 4.968 1.00 74.23 C ATOM 1224 O SER A 79 3.353 8.318 3.767 1.00 75.03 O ATOM 1225 CB SER A 79 3.066 10.942 5.525 1.00 51.31 C ATOM 1226 OG SER A 79 3.622 12.206 5.856 1.00 1.22 O ATOM 0 H SER A 79 4.991 11.110 3.981 1.00 3.21 H new ATOM 0 HA SER A 79 4.592 9.719 6.433 1.00 53.21 H new ATOM 0 HB2 SER A 79 2.543 11.011 4.571 1.00 51.31 H new ATOM 0 HB3 SER A 79 2.326 10.660 6.274 1.00 51.31 H new ATOM 0 HG SER A 79 2.908 12.876 5.901 1.00 1.22 H new ATOM 1232 N TYR A 80 3.292 7.609 5.907 1.00 62.14 N ATOM 1233 CA TYR A 80 2.763 6.282 5.595 1.00 41.10 C ATOM 1234 C TYR A 80 1.767 5.851 6.665 1.00 41.31 C ATOM 1235 O TYR A 80 1.834 6.302 7.817 1.00 75.03 O ATOM 1236 CB TYR A 80 3.924 5.256 5.442 1.00 53.33 C ATOM 1237 CG TYR A 80 4.747 5.008 6.715 1.00 34.02 C ATOM 1238 CD1 TYR A 80 5.673 5.954 7.172 1.00 75.24 C ATOM 1239 CD2 TYR A 80 4.594 3.838 7.471 1.00 4.42 C ATOM 1240 CE1 TYR A 80 6.405 5.746 8.319 1.00 74.21 C ATOM 1241 CE2 TYR A 80 5.327 3.635 8.620 1.00 12.44 C ATOM 1242 CZ TYR A 80 6.230 4.588 9.037 1.00 51.23 C ATOM 1243 OH TYR A 80 6.961 4.378 10.181 1.00 4.12 O ATOM 0 H TYR A 80 3.438 7.772 6.903 1.00 62.14 H new ATOM 0 HA TYR A 80 2.234 6.322 4.643 1.00 41.10 H new ATOM 0 HB2 TYR A 80 3.507 4.306 5.107 1.00 53.33 H new ATOM 0 HB3 TYR A 80 4.595 5.604 4.657 1.00 53.33 H new ATOM 0 HD1 TYR A 80 5.816 6.867 6.612 1.00 75.24 H new ATOM 0 HD2 TYR A 80 3.891 3.084 7.148 1.00 4.42 H new ATOM 0 HE1 TYR A 80 7.114 6.490 8.653 1.00 74.21 H new ATOM 0 HE2 TYR A 80 5.194 2.729 9.193 1.00 12.44 H new ATOM 0 HH TYR A 80 6.718 3.512 10.570 1.00 4.12 H new ATOM 1253 N ASP A 81 0.833 4.998 6.251 1.00 51.40 N ATOM 1254 CA ASP A 81 -0.235 4.461 7.102 1.00 23.14 C ATOM 1255 C ASP A 81 -0.165 2.938 7.016 1.00 2.31 C ATOM 1256 O ASP A 81 -0.318 2.391 5.926 1.00 31.45 O ATOM 1257 CB ASP A 81 -1.627 4.950 6.581 1.00 2.13 C ATOM 1258 CG ASP A 81 -1.764 6.481 6.508 1.00 13.14 C ATOM 1259 OD1 ASP A 81 -1.185 7.091 5.582 1.00 64.33 O ATOM 1260 OD2 ASP A 81 -2.437 7.094 7.374 1.00 54.41 O ATOM 0 H ASP A 81 0.794 4.651 5.293 1.00 51.40 H new ATOM 0 HA ASP A 81 -0.112 4.799 8.131 1.00 23.14 H new ATOM 0 HB2 ASP A 81 -1.800 4.532 5.589 1.00 2.13 H new ATOM 0 HB3 ASP A 81 -2.407 4.556 7.233 1.00 2.13 H new ATOM 1265 N VAL A 82 0.048 2.257 8.147 1.00 32.00 N ATOM 1266 CA VAL A 82 0.123 0.787 8.169 1.00 42.14 C ATOM 1267 C VAL A 82 -1.288 0.224 8.385 1.00 1.33 C ATOM 1268 O VAL A 82 -1.835 0.277 9.493 1.00 14.41 O ATOM 1269 CB VAL A 82 1.117 0.226 9.262 1.00 43.45 C ATOM 1270 CG1 VAL A 82 1.188 -1.328 9.188 1.00 73.32 C ATOM 1271 CG2 VAL A 82 2.525 0.870 9.113 1.00 21.20 C ATOM 0 H VAL A 82 0.172 2.697 9.059 1.00 32.00 H new ATOM 0 HA VAL A 82 0.524 0.462 7.209 1.00 42.14 H new ATOM 0 HB VAL A 82 0.737 0.496 10.247 1.00 43.45 H new ATOM 0 HG11 VAL A 82 1.877 -1.697 9.948 1.00 73.32 H new ATOM 0 HG12 VAL A 82 0.197 -1.746 9.363 1.00 73.32 H new ATOM 0 HG13 VAL A 82 1.540 -1.630 8.201 1.00 73.32 H new ATOM 0 HG21 VAL A 82 3.191 0.468 9.876 1.00 21.20 H new ATOM 0 HG22 VAL A 82 2.926 0.643 8.125 1.00 21.20 H new ATOM 0 HG23 VAL A 82 2.445 1.950 9.233 1.00 21.20 H new ATOM 1281 N LEU A 83 -1.881 -0.252 7.298 1.00 11.31 N ATOM 1282 CA LEU A 83 -3.190 -0.895 7.299 1.00 31.51 C ATOM 1283 C LEU A 83 -3.003 -2.408 7.396 1.00 1.23 C ATOM 1284 O LEU A 83 -2.540 -3.039 6.448 1.00 75.54 O ATOM 1285 CB LEU A 83 -3.954 -0.518 6.003 1.00 72.50 C ATOM 1286 CG LEU A 83 -5.370 -1.145 5.832 1.00 71.22 C ATOM 1287 CD1 LEU A 83 -6.309 -0.729 6.979 1.00 4.31 C ATOM 1288 CD2 LEU A 83 -5.960 -0.799 4.448 1.00 71.10 C ATOM 0 H LEU A 83 -1.457 -0.201 6.372 1.00 11.31 H new ATOM 0 HA LEU A 83 -3.774 -0.556 8.155 1.00 31.51 H new ATOM 0 HB2 LEU A 83 -4.053 0.567 5.967 1.00 72.50 H new ATOM 0 HB3 LEU A 83 -3.344 -0.811 5.148 1.00 72.50 H new ATOM 0 HG LEU A 83 -5.269 -2.229 5.882 1.00 71.22 H new ATOM 0 HD11 LEU A 83 -7.289 -1.183 6.830 1.00 4.31 H new ATOM 0 HD12 LEU A 83 -5.894 -1.065 7.929 1.00 4.31 H new ATOM 0 HD13 LEU A 83 -6.410 0.356 6.991 1.00 4.31 H new ATOM 0 HD21 LEU A 83 -6.949 -1.247 4.352 1.00 71.10 H new ATOM 0 HD22 LEU A 83 -6.041 0.283 4.347 1.00 71.10 H new ATOM 0 HD23 LEU A 83 -5.307 -1.188 3.667 1.00 71.10 H new ATOM 1300 N LYS A 84 -3.314 -2.983 8.558 1.00 45.34 N ATOM 1301 CA LYS A 84 -3.269 -4.436 8.753 1.00 24.35 C ATOM 1302 C LYS A 84 -4.701 -4.984 8.739 1.00 71.21 C ATOM 1303 O LYS A 84 -5.415 -4.881 9.746 1.00 5.33 O ATOM 1304 CB LYS A 84 -2.561 -4.778 10.093 1.00 24.15 C ATOM 1305 CG LYS A 84 -2.094 -6.245 10.189 1.00 32.50 C ATOM 1306 CD LYS A 84 -0.866 -6.545 9.300 1.00 45.44 C ATOM 1307 CE LYS A 84 0.387 -5.784 9.752 1.00 3.23 C ATOM 1308 NZ LYS A 84 0.732 -6.058 11.169 1.00 14.13 N ATOM 0 H LYS A 84 -3.602 -2.461 9.386 1.00 45.34 H new ATOM 0 HA LYS A 84 -2.699 -4.898 7.947 1.00 24.35 H new ATOM 0 HB2 LYS A 84 -1.699 -4.122 10.216 1.00 24.15 H new ATOM 0 HB3 LYS A 84 -3.242 -4.568 10.918 1.00 24.15 H new ATOM 0 HG2 LYS A 84 -1.851 -6.476 11.226 1.00 32.50 H new ATOM 0 HG3 LYS A 84 -2.914 -6.902 9.900 1.00 32.50 H new ATOM 0 HD2 LYS A 84 -0.662 -7.616 9.317 1.00 45.44 H new ATOM 0 HD3 LYS A 84 -1.095 -6.280 8.268 1.00 45.44 H new ATOM 0 HE2 LYS A 84 1.227 -6.062 9.116 1.00 3.23 H new ATOM 0 HE3 LYS A 84 0.227 -4.714 9.620 1.00 3.23 H new ATOM 0 HZ1 LYS A 84 1.691 -5.707 11.367 1.00 14.13 H new ATOM 0 HZ2 LYS A 84 0.052 -5.577 11.791 1.00 14.13 H new ATOM 0 HZ3 LYS A 84 0.696 -7.083 11.343 1.00 14.13 H new ATOM 1322 N SER A 85 -5.118 -5.546 7.596 1.00 5.13 N ATOM 1323 CA SER A 85 -6.470 -6.091 7.404 1.00 23.22 C ATOM 1324 C SER A 85 -6.465 -7.116 6.257 1.00 21.31 C ATOM 1325 O SER A 85 -5.872 -6.869 5.208 1.00 71.11 O ATOM 1326 CB SER A 85 -7.493 -4.956 7.105 1.00 21.24 C ATOM 1327 OG SER A 85 -7.705 -4.122 8.228 1.00 21.45 O ATOM 0 H SER A 85 -4.523 -5.636 6.773 1.00 5.13 H new ATOM 0 HA SER A 85 -6.774 -6.586 8.326 1.00 23.22 H new ATOM 0 HB2 SER A 85 -7.133 -4.355 6.270 1.00 21.24 H new ATOM 0 HB3 SER A 85 -8.441 -5.395 6.796 1.00 21.24 H new ATOM 0 HG SER A 85 -7.030 -4.316 8.912 1.00 21.45 H new ATOM 1333 N THR A 86 -7.128 -8.258 6.479 1.00 13.20 N ATOM 1334 CA THR A 86 -7.247 -9.335 5.482 1.00 15.22 C ATOM 1335 C THR A 86 -8.677 -9.420 4.904 1.00 12.31 C ATOM 1336 O THR A 86 -8.940 -10.265 4.047 1.00 42.24 O ATOM 1337 CB THR A 86 -6.844 -10.701 6.125 1.00 2.53 C ATOM 1338 OG1 THR A 86 -7.660 -10.952 7.285 1.00 35.20 O ATOM 1339 CG2 THR A 86 -5.356 -10.736 6.536 1.00 5.41 C ATOM 0 H THR A 86 -7.600 -8.464 7.359 1.00 13.20 H new ATOM 0 HA THR A 86 -6.570 -9.107 4.658 1.00 15.22 H new ATOM 0 HB THR A 86 -7.003 -11.473 5.372 1.00 2.53 H new ATOM 0 HG1 THR A 86 -7.406 -11.810 7.684 1.00 35.20 H new ATOM 0 HG21 THR A 86 -5.123 -11.705 6.978 1.00 5.41 H new ATOM 0 HG22 THR A 86 -4.732 -10.579 5.656 1.00 5.41 H new ATOM 0 HG23 THR A 86 -5.161 -9.949 7.264 1.00 5.41 H new ATOM 1347 N ASP A 87 -9.597 -8.548 5.372 1.00 21.21 N ATOM 1348 CA ASP A 87 -11.000 -8.515 4.889 1.00 33.31 C ATOM 1349 C ASP A 87 -11.128 -7.586 3.669 1.00 75.50 C ATOM 1350 O ASP A 87 -10.599 -6.475 3.700 1.00 11.30 O ATOM 1351 CB ASP A 87 -11.972 -8.062 6.014 1.00 43.31 C ATOM 1352 CG ASP A 87 -12.189 -9.158 7.063 1.00 12.55 C ATOM 1353 OD1 ASP A 87 -12.920 -10.123 6.766 1.00 74.30 O ATOM 1354 OD2 ASP A 87 -11.623 -9.070 8.171 1.00 12.25 O ATOM 0 H ASP A 87 -9.393 -7.852 6.089 1.00 21.21 H new ATOM 0 HA ASP A 87 -11.274 -9.527 4.592 1.00 33.31 H new ATOM 0 HB2 ASP A 87 -11.575 -7.170 6.499 1.00 43.31 H new ATOM 0 HB3 ASP A 87 -12.931 -7.786 5.575 1.00 43.31 H new ATOM 1359 N PRO A 88 -11.868 -8.015 2.589 1.00 33.51 N ATOM 1360 CA PRO A 88 -11.949 -7.272 1.311 1.00 50.34 C ATOM 1361 C PRO A 88 -12.695 -5.939 1.448 1.00 52.15 C ATOM 1362 O PRO A 88 -12.193 -4.904 1.010 1.00 75.25 O ATOM 1363 CB PRO A 88 -12.670 -8.257 0.350 1.00 33.21 C ATOM 1364 CG PRO A 88 -13.474 -9.144 1.251 1.00 22.13 C ATOM 1365 CD PRO A 88 -12.678 -9.268 2.537 1.00 63.42 C ATOM 0 HA PRO A 88 -10.965 -6.979 0.944 1.00 50.34 H new ATOM 0 HB2 PRO A 88 -13.308 -7.726 -0.356 1.00 33.21 H new ATOM 0 HB3 PRO A 88 -11.955 -8.833 -0.238 1.00 33.21 H new ATOM 0 HG2 PRO A 88 -14.459 -8.717 1.441 1.00 22.13 H new ATOM 0 HG3 PRO A 88 -13.633 -10.121 0.795 1.00 22.13 H new ATOM 0 HD2 PRO A 88 -13.333 -9.355 3.404 1.00 63.42 H new ATOM 0 HD3 PRO A 88 -12.042 -10.153 2.528 1.00 63.42 H new ATOM 1373 N GLU A 89 -13.872 -5.984 2.087 1.00 24.42 N ATOM 1374 CA GLU A 89 -14.711 -4.800 2.336 1.00 21.25 C ATOM 1375 C GLU A 89 -13.974 -3.770 3.217 1.00 2.15 C ATOM 1376 O GLU A 89 -14.118 -2.558 3.015 1.00 1.41 O ATOM 1377 CB GLU A 89 -16.049 -5.241 2.987 1.00 75.33 C ATOM 1378 CG GLU A 89 -15.880 -6.144 4.228 1.00 12.43 C ATOM 1379 CD GLU A 89 -17.206 -6.607 4.839 1.00 61.03 C ATOM 1380 OE1 GLU A 89 -17.832 -7.544 4.286 1.00 21.21 O ATOM 1381 OE2 GLU A 89 -17.623 -6.063 5.884 1.00 63.12 O ATOM 0 H GLU A 89 -14.273 -6.849 2.449 1.00 24.42 H new ATOM 0 HA GLU A 89 -14.926 -4.313 1.385 1.00 21.25 H new ATOM 0 HB2 GLU A 89 -16.612 -4.352 3.272 1.00 75.33 H new ATOM 0 HB3 GLU A 89 -16.645 -5.771 2.244 1.00 75.33 H new ATOM 0 HG2 GLU A 89 -15.292 -7.019 3.952 1.00 12.43 H new ATOM 0 HG3 GLU A 89 -15.311 -5.604 4.984 1.00 12.43 H new ATOM 1388 N GLU A 90 -13.148 -4.285 4.154 1.00 12.33 N ATOM 1389 CA GLU A 90 -12.346 -3.473 5.084 1.00 70.51 C ATOM 1390 C GLU A 90 -11.318 -2.648 4.287 1.00 55.42 C ATOM 1391 O GLU A 90 -11.257 -1.421 4.401 1.00 71.02 O ATOM 1392 CB GLU A 90 -11.614 -4.391 6.102 1.00 0.41 C ATOM 1393 CG GLU A 90 -11.070 -3.684 7.369 1.00 23.31 C ATOM 1394 CD GLU A 90 -12.149 -3.453 8.442 1.00 54.30 C ATOM 1395 OE1 GLU A 90 -12.823 -2.402 8.420 1.00 20.12 O ATOM 1396 OE2 GLU A 90 -12.336 -4.339 9.313 1.00 45.21 O ATOM 0 H GLU A 90 -13.021 -5.289 4.284 1.00 12.33 H new ATOM 0 HA GLU A 90 -13.005 -2.800 5.632 1.00 70.51 H new ATOM 0 HB2 GLU A 90 -12.301 -5.178 6.413 1.00 0.41 H new ATOM 0 HB3 GLU A 90 -10.782 -4.877 5.593 1.00 0.41 H new ATOM 0 HG2 GLU A 90 -10.265 -4.283 7.795 1.00 23.31 H new ATOM 0 HG3 GLU A 90 -10.637 -2.725 7.085 1.00 23.31 H new ATOM 1403 N LEU A 91 -10.540 -3.354 3.447 1.00 62.31 N ATOM 1404 CA LEU A 91 -9.501 -2.746 2.602 1.00 13.05 C ATOM 1405 C LEU A 91 -10.116 -1.749 1.598 1.00 51.33 C ATOM 1406 O LEU A 91 -9.616 -0.638 1.451 1.00 24.42 O ATOM 1407 CB LEU A 91 -8.700 -3.848 1.856 1.00 53.44 C ATOM 1408 CG LEU A 91 -7.948 -4.883 2.744 1.00 21.12 C ATOM 1409 CD1 LEU A 91 -7.238 -5.954 1.880 1.00 32.10 C ATOM 1410 CD2 LEU A 91 -6.964 -4.177 3.692 1.00 71.34 C ATOM 0 H LEU A 91 -10.616 -4.365 3.336 1.00 62.31 H new ATOM 0 HA LEU A 91 -8.818 -2.193 3.247 1.00 13.05 H new ATOM 0 HB2 LEU A 91 -9.389 -4.391 1.208 1.00 53.44 H new ATOM 0 HB3 LEU A 91 -7.971 -3.361 1.209 1.00 53.44 H new ATOM 0 HG LEU A 91 -8.686 -5.401 3.357 1.00 21.12 H new ATOM 0 HD11 LEU A 91 -6.722 -6.662 2.529 1.00 32.10 H new ATOM 0 HD12 LEU A 91 -7.976 -6.485 1.279 1.00 32.10 H new ATOM 0 HD13 LEU A 91 -6.515 -5.471 1.223 1.00 32.10 H new ATOM 0 HD21 LEU A 91 -6.450 -4.920 4.302 1.00 71.34 H new ATOM 0 HD22 LEU A 91 -6.233 -3.619 3.107 1.00 71.34 H new ATOM 0 HD23 LEU A 91 -7.511 -3.491 4.339 1.00 71.34 H new ATOM 1422 N THR A 92 -11.235 -2.152 0.962 1.00 31.11 N ATOM 1423 CA THR A 92 -11.909 -1.371 -0.102 1.00 12.03 C ATOM 1424 C THR A 92 -12.356 0.013 0.412 1.00 54.21 C ATOM 1425 O THR A 92 -12.106 1.041 -0.245 1.00 3.12 O ATOM 1426 CB THR A 92 -13.131 -2.171 -0.689 1.00 40.43 C ATOM 1427 OG1 THR A 92 -12.663 -3.400 -1.273 1.00 72.21 O ATOM 1428 CG2 THR A 92 -13.917 -1.386 -1.760 1.00 61.22 C ATOM 0 H THR A 92 -11.702 -3.034 1.172 1.00 31.11 H new ATOM 0 HA THR A 92 -11.187 -1.208 -0.903 1.00 12.03 H new ATOM 0 HB THR A 92 -13.809 -2.358 0.144 1.00 40.43 H new ATOM 0 HG1 THR A 92 -12.452 -4.041 -0.562 1.00 72.21 H new ATOM 0 HG21 THR A 92 -14.745 -1.995 -2.122 1.00 61.22 H new ATOM 0 HG22 THR A 92 -14.306 -0.466 -1.324 1.00 61.22 H new ATOM 0 HG23 THR A 92 -13.255 -1.142 -2.591 1.00 61.22 H new ATOM 1436 N GLN A 93 -12.982 0.033 1.606 1.00 33.32 N ATOM 1437 CA GLN A 93 -13.440 1.283 2.223 1.00 12.32 C ATOM 1438 C GLN A 93 -12.239 2.139 2.684 1.00 51.02 C ATOM 1439 O GLN A 93 -12.292 3.360 2.585 1.00 63.32 O ATOM 1440 CB GLN A 93 -14.422 1.018 3.394 1.00 11.00 C ATOM 1441 CG GLN A 93 -13.813 0.286 4.603 1.00 52.31 C ATOM 1442 CD GLN A 93 -14.715 0.186 5.840 1.00 23.21 C ATOM 1443 OE1 GLN A 93 -14.610 -0.764 6.610 1.00 11.13 O ATOM 1444 NE2 GLN A 93 -15.564 1.178 6.074 1.00 31.13 N ATOM 0 H GLN A 93 -13.179 -0.803 2.157 1.00 33.32 H new ATOM 0 HA GLN A 93 -13.986 1.844 1.465 1.00 12.32 H new ATOM 0 HB2 GLN A 93 -14.826 1.972 3.732 1.00 11.00 H new ATOM 0 HB3 GLN A 93 -15.261 0.432 3.019 1.00 11.00 H new ATOM 0 HG2 GLN A 93 -13.538 -0.722 4.294 1.00 52.31 H new ATOM 0 HG3 GLN A 93 -12.892 0.795 4.887 1.00 52.31 H new ATOM 0 HE21 GLN A 93 -15.632 1.956 5.418 1.00 31.13 H new ATOM 0 HE22 GLN A 93 -16.149 1.163 6.910 1.00 31.13 H new ATOM 1453 N ARG A 94 -11.152 1.493 3.163 1.00 0.23 N ATOM 1454 CA ARG A 94 -9.924 2.213 3.591 1.00 1.43 C ATOM 1455 C ARG A 94 -9.224 2.925 2.418 1.00 54.35 C ATOM 1456 O ARG A 94 -8.723 4.040 2.584 1.00 54.14 O ATOM 1457 CB ARG A 94 -8.912 1.255 4.263 1.00 63.31 C ATOM 1458 CG ARG A 94 -9.361 0.657 5.605 1.00 54.21 C ATOM 1459 CD ARG A 94 -9.554 1.700 6.722 1.00 13.15 C ATOM 1460 NE ARG A 94 -9.857 1.064 8.019 1.00 24.21 N ATOM 1461 CZ ARG A 94 -10.964 0.354 8.302 1.00 55.24 C ATOM 1462 NH1 ARG A 94 -11.912 0.160 7.395 1.00 43.42 N ATOM 1463 NH2 ARG A 94 -11.095 -0.196 9.493 1.00 51.14 N ATOM 0 H ARG A 94 -11.097 0.480 3.264 1.00 0.23 H new ATOM 0 HA ARG A 94 -10.254 2.963 4.310 1.00 1.43 H new ATOM 0 HB2 ARG A 94 -8.698 0.438 3.574 1.00 63.31 H new ATOM 0 HB3 ARG A 94 -7.977 1.793 4.419 1.00 63.31 H new ATOM 0 HG2 ARG A 94 -10.298 0.121 5.457 1.00 54.21 H new ATOM 0 HG3 ARG A 94 -8.622 -0.076 5.930 1.00 54.21 H new ATOM 0 HD2 ARG A 94 -8.651 2.304 6.815 1.00 13.15 H new ATOM 0 HD3 ARG A 94 -10.364 2.377 6.451 1.00 13.15 H new ATOM 0 HE ARG A 94 -9.169 1.172 8.764 1.00 24.21 H new ATOM 0 HH11 ARG A 94 -11.811 0.553 6.459 1.00 43.42 H new ATOM 0 HH12 ARG A 94 -12.743 -0.382 7.633 1.00 43.42 H new ATOM 0 HH21 ARG A 94 -10.360 -0.081 10.191 1.00 51.14 H new ATOM 0 HH22 ARG A 94 -11.931 -0.736 9.716 1.00 51.14 H new ATOM 1477 N VAL A 95 -9.171 2.258 1.251 1.00 5.11 N ATOM 1478 CA VAL A 95 -8.471 2.778 0.061 1.00 63.42 C ATOM 1479 C VAL A 95 -9.162 4.053 -0.449 1.00 35.41 C ATOM 1480 O VAL A 95 -8.508 5.082 -0.628 1.00 20.24 O ATOM 1481 CB VAL A 95 -8.379 1.695 -1.086 1.00 14.30 C ATOM 1482 CG1 VAL A 95 -7.766 2.276 -2.384 1.00 72.13 C ATOM 1483 CG2 VAL A 95 -7.575 0.460 -0.618 1.00 64.23 C ATOM 0 H VAL A 95 -9.609 1.348 1.106 1.00 5.11 H new ATOM 0 HA VAL A 95 -7.451 3.024 0.357 1.00 63.42 H new ATOM 0 HB VAL A 95 -9.399 1.384 -1.312 1.00 14.30 H new ATOM 0 HG11 VAL A 95 -7.722 1.497 -3.146 1.00 72.13 H new ATOM 0 HG12 VAL A 95 -8.385 3.099 -2.742 1.00 72.13 H new ATOM 0 HG13 VAL A 95 -6.760 2.641 -2.179 1.00 72.13 H new ATOM 0 HG21 VAL A 95 -7.527 -0.270 -1.426 1.00 64.23 H new ATOM 0 HG22 VAL A 95 -6.565 0.766 -0.344 1.00 64.23 H new ATOM 0 HG23 VAL A 95 -8.066 0.013 0.246 1.00 64.23 H new ATOM 1493 N ARG A 96 -10.496 3.982 -0.622 1.00 53.34 N ATOM 1494 CA ARG A 96 -11.292 5.133 -1.101 1.00 1.22 C ATOM 1495 C ARG A 96 -11.266 6.290 -0.090 1.00 14.23 C ATOM 1496 O ARG A 96 -11.182 7.446 -0.490 1.00 10.41 O ATOM 1497 CB ARG A 96 -12.752 4.733 -1.409 1.00 62.22 C ATOM 1498 CG ARG A 96 -13.539 4.155 -0.217 1.00 11.01 C ATOM 1499 CD ARG A 96 -15.022 3.908 -0.518 1.00 13.23 C ATOM 1500 NE ARG A 96 -15.216 2.962 -1.627 1.00 45.40 N ATOM 1501 CZ ARG A 96 -16.391 2.428 -1.986 1.00 4.03 C ATOM 1502 NH1 ARG A 96 -17.515 2.732 -1.337 1.00 52.22 N ATOM 1503 NH2 ARG A 96 -16.429 1.604 -3.024 1.00 54.32 N ATOM 0 H ARG A 96 -11.046 3.143 -0.438 1.00 53.34 H new ATOM 0 HA ARG A 96 -10.830 5.470 -2.029 1.00 1.22 H new ATOM 0 HB2 ARG A 96 -13.281 5.610 -1.782 1.00 62.22 H new ATOM 0 HB3 ARG A 96 -12.748 3.997 -2.213 1.00 62.22 H new ATOM 0 HG2 ARG A 96 -13.078 3.216 0.090 1.00 11.01 H new ATOM 0 HG3 ARG A 96 -13.458 4.840 0.627 1.00 11.01 H new ATOM 0 HD2 ARG A 96 -15.513 3.522 0.376 1.00 13.23 H new ATOM 0 HD3 ARG A 96 -15.504 4.855 -0.762 1.00 13.23 H new ATOM 0 HE ARG A 96 -14.392 2.692 -2.164 1.00 45.40 H new ATOM 0 HH11 ARG A 96 -17.490 3.382 -0.551 1.00 52.22 H new ATOM 0 HH12 ARG A 96 -18.400 2.315 -1.626 1.00 52.22 H new ATOM 0 HH21 ARG A 96 -15.573 1.387 -3.534 1.00 54.32 H new ATOM 0 HH22 ARG A 96 -17.314 1.188 -3.312 1.00 54.32 H new ATOM 1517 N GLU A 97 -11.341 5.968 1.216 1.00 22.50 N ATOM 1518 CA GLU A 97 -11.340 6.976 2.291 1.00 13.10 C ATOM 1519 C GLU A 97 -9.971 7.652 2.431 1.00 14.03 C ATOM 1520 O GLU A 97 -9.892 8.840 2.777 1.00 12.14 O ATOM 1521 CB GLU A 97 -11.784 6.333 3.629 1.00 74.31 C ATOM 1522 CG GLU A 97 -13.306 6.123 3.759 1.00 53.13 C ATOM 1523 CD GLU A 97 -14.085 7.450 3.816 1.00 5.11 C ATOM 1524 OE1 GLU A 97 -14.267 7.993 4.922 1.00 22.11 O ATOM 1525 OE2 GLU A 97 -14.499 7.965 2.755 1.00 72.35 O ATOM 0 H GLU A 97 -11.404 5.007 1.553 1.00 22.50 H new ATOM 0 HA GLU A 97 -12.056 7.754 2.025 1.00 13.10 H new ATOM 0 HB2 GLU A 97 -11.286 5.370 3.738 1.00 74.31 H new ATOM 0 HB3 GLU A 97 -11.445 6.963 4.451 1.00 74.31 H new ATOM 0 HG2 GLU A 97 -13.661 5.534 2.914 1.00 53.13 H new ATOM 0 HG3 GLU A 97 -13.514 5.545 4.660 1.00 53.13 H new ATOM 1532 N PHE A 98 -8.905 6.885 2.146 1.00 61.11 N ATOM 1533 CA PHE A 98 -7.542 7.415 2.110 1.00 74.41 C ATOM 1534 C PHE A 98 -7.420 8.417 0.955 1.00 65.54 C ATOM 1535 O PHE A 98 -7.058 9.567 1.169 1.00 4.10 O ATOM 1536 CB PHE A 98 -6.488 6.288 1.949 1.00 32.31 C ATOM 1537 CG PHE A 98 -5.062 6.829 1.883 1.00 1.51 C ATOM 1538 CD1 PHE A 98 -4.422 7.268 3.041 1.00 71.31 C ATOM 1539 CD2 PHE A 98 -4.385 6.955 0.662 1.00 4.42 C ATOM 1540 CE1 PHE A 98 -3.159 7.809 2.983 1.00 24.10 C ATOM 1541 CE2 PHE A 98 -3.117 7.491 0.613 1.00 31.42 C ATOM 1542 CZ PHE A 98 -2.512 7.923 1.773 1.00 43.05 C ATOM 0 H PHE A 98 -8.968 5.889 1.936 1.00 61.11 H new ATOM 0 HA PHE A 98 -7.345 7.912 3.060 1.00 74.41 H new ATOM 0 HB2 PHE A 98 -6.572 5.594 2.785 1.00 32.31 H new ATOM 0 HB3 PHE A 98 -6.701 5.722 1.042 1.00 32.31 H new ATOM 0 HD1 PHE A 98 -4.923 7.182 3.994 1.00 71.31 H new ATOM 0 HD2 PHE A 98 -4.863 6.628 -0.250 1.00 4.42 H new ATOM 0 HE1 PHE A 98 -2.674 8.145 3.888 1.00 24.10 H new ATOM 0 HE2 PHE A 98 -2.599 7.572 -0.331 1.00 31.42 H new ATOM 0 HZ PHE A 98 -1.523 8.354 1.733 1.00 43.05 H new ATOM 1552 N LEU A 99 -7.771 7.955 -0.259 1.00 42.11 N ATOM 1553 CA LEU A 99 -7.699 8.757 -1.499 1.00 14.51 C ATOM 1554 C LEU A 99 -8.622 9.996 -1.421 1.00 20.23 C ATOM 1555 O LEU A 99 -8.327 11.031 -2.033 1.00 74.52 O ATOM 1556 CB LEU A 99 -8.072 7.869 -2.719 1.00 70.21 C ATOM 1557 CG LEU A 99 -7.114 6.665 -3.004 1.00 2.44 C ATOM 1558 CD1 LEU A 99 -7.710 5.697 -4.062 1.00 73.52 C ATOM 1559 CD2 LEU A 99 -5.701 7.156 -3.406 1.00 12.40 C ATOM 0 H LEU A 99 -8.116 7.007 -0.411 1.00 42.11 H new ATOM 0 HA LEU A 99 -6.678 9.118 -1.619 1.00 14.51 H new ATOM 0 HB2 LEU A 99 -9.079 7.480 -2.567 1.00 70.21 H new ATOM 0 HB3 LEU A 99 -8.105 8.500 -3.607 1.00 70.21 H new ATOM 0 HG LEU A 99 -7.012 6.100 -2.078 1.00 2.44 H new ATOM 0 HD11 LEU A 99 -7.016 4.874 -4.234 1.00 73.52 H new ATOM 0 HD12 LEU A 99 -8.659 5.302 -3.700 1.00 73.52 H new ATOM 0 HD13 LEU A 99 -7.873 6.235 -4.996 1.00 73.52 H new ATOM 0 HD21 LEU A 99 -5.058 6.297 -3.598 1.00 12.40 H new ATOM 0 HD22 LEU A 99 -5.770 7.766 -4.307 1.00 12.40 H new ATOM 0 HD23 LEU A 99 -5.279 7.752 -2.597 1.00 12.40 H new ATOM 1571 N LYS A 100 -9.710 9.879 -0.639 1.00 60.14 N ATOM 1572 CA LYS A 100 -10.705 10.952 -0.450 1.00 12.42 C ATOM 1573 C LYS A 100 -10.094 12.097 0.381 1.00 53.13 C ATOM 1574 O LYS A 100 -10.041 13.248 -0.072 1.00 42.32 O ATOM 1575 CB LYS A 100 -11.979 10.380 0.248 1.00 20.12 C ATOM 1576 CG LYS A 100 -13.204 11.322 0.269 1.00 73.01 C ATOM 1577 CD LYS A 100 -13.721 11.643 -1.150 1.00 62.41 C ATOM 1578 CE LYS A 100 -15.027 12.450 -1.140 1.00 43.32 C ATOM 1579 NZ LYS A 100 -14.888 13.771 -0.473 1.00 55.10 N ATOM 0 H LYS A 100 -9.926 9.030 -0.116 1.00 60.14 H new ATOM 0 HA LYS A 100 -10.994 11.349 -1.423 1.00 12.42 H new ATOM 0 HB2 LYS A 100 -12.262 9.455 -0.253 1.00 20.12 H new ATOM 0 HB3 LYS A 100 -11.724 10.121 1.276 1.00 20.12 H new ATOM 0 HG2 LYS A 100 -14.004 10.861 0.849 1.00 73.01 H new ATOM 0 HG3 LYS A 100 -12.937 12.250 0.775 1.00 73.01 H new ATOM 0 HD2 LYS A 100 -12.958 12.202 -1.692 1.00 62.41 H new ATOM 0 HD3 LYS A 100 -13.879 10.711 -1.693 1.00 62.41 H new ATOM 0 HE2 LYS A 100 -15.362 12.601 -2.166 1.00 43.32 H new ATOM 0 HE3 LYS A 100 -15.800 11.873 -0.633 1.00 43.32 H new ATOM 0 HZ1 LYS A 100 -15.800 14.270 -0.497 1.00 55.10 H new ATOM 0 HZ2 LYS A 100 -14.595 13.632 0.515 1.00 55.10 H new ATOM 0 HZ3 LYS A 100 -14.171 14.337 -0.970 1.00 55.10 H new ATOM 1593 N THR A 101 -9.586 11.745 1.584 1.00 31.50 N ATOM 1594 CA THR A 101 -8.973 12.713 2.515 1.00 33.11 C ATOM 1595 C THR A 101 -7.622 13.231 1.956 1.00 24.42 C ATOM 1596 O THR A 101 -7.187 14.345 2.277 1.00 71.03 O ATOM 1597 CB THR A 101 -8.794 12.083 3.946 1.00 42.31 C ATOM 1598 OG1 THR A 101 -8.471 13.096 4.913 1.00 45.54 O ATOM 1599 CG2 THR A 101 -7.715 10.988 3.995 1.00 22.44 C ATOM 0 H THR A 101 -9.590 10.787 1.933 1.00 31.50 H new ATOM 0 HA THR A 101 -9.645 13.565 2.611 1.00 33.11 H new ATOM 0 HB THR A 101 -9.751 11.620 4.187 1.00 42.31 H new ATOM 0 HG1 THR A 101 -8.365 12.684 5.796 1.00 45.54 H new ATOM 0 HG21 THR A 101 -7.641 10.595 5.009 1.00 22.44 H new ATOM 0 HG22 THR A 101 -7.983 10.182 3.312 1.00 22.44 H new ATOM 0 HG23 THR A 101 -6.755 11.410 3.699 1.00 22.44 H new ATOM 1607 N ALA A 102 -7.004 12.419 1.072 1.00 15.42 N ATOM 1608 CA ALA A 102 -5.740 12.749 0.400 1.00 53.01 C ATOM 1609 C ALA A 102 -5.949 13.798 -0.706 1.00 11.42 C ATOM 1610 O ALA A 102 -4.970 14.388 -1.179 1.00 34.40 O ATOM 1611 CB ALA A 102 -5.100 11.484 -0.178 1.00 35.34 C ATOM 0 H ALA A 102 -7.377 11.508 0.806 1.00 15.42 H new ATOM 0 HA ALA A 102 -5.068 13.178 1.143 1.00 53.01 H new ATOM 0 HB1 ALA A 102 -4.164 11.743 -0.673 1.00 35.34 H new ATOM 0 HB2 ALA A 102 -4.901 10.777 0.627 1.00 35.34 H new ATOM 0 HB3 ALA A 102 -5.779 11.030 -0.900 1.00 35.34 H new