USER MOD reduce.3.24.130724 H: found=0, std=0, add=1133, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 1136 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 75 THR OG1 : rot 180:sc= 0 USER MOD Set 1.2: A 78 THR OG1 : rot 58:sc= 1.93 USER MOD Single : A 4 SER OG : rot -20:sc= 0.332 USER MOD Single : A 5 ASN : amide:sc= 1.83 K(o=1.8,f=-5.3!) USER MOD Single : A 14 SER OG : rot 75:sc= 0.661 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 SER OG : rot 75:sc= 1.08 USER MOD Single : A 19 GLN : amide:sc= 0 K(o=0,f=-0.8) USER MOD Single : A 20 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.068) USER MOD Single : A 22 TYR OH : rot 172:sc= 0.678 USER MOD Single : A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= -1.15 K(o=-1.2,f=-0.12) USER MOD Single : A 43 SER OG : rot 120:sc= -1.38 USER MOD Single : A 47 LYS NZ :NH3+ -176:sc= 1.24 (180deg=1.19) USER MOD Single : A 48 GLN : amide:sc= -1.59 K(o=-1.6,f=-0.097) USER MOD Single : A 61 TYR OH : rot 180:sc= 0.9 USER MOD Single : A 66 SER OG : rot 73:sc= 0.702 USER MOD Single : A 69 THR OG1 : rot -97:sc= 1.26 USER MOD Single : A 70 SER OG : rot 26:sc= 0.373 USER MOD Single : A 71 GLN : amide:sc= -1.24! K(o=-1.2!,f=0) USER MOD Single : A 73 HIS : no HD1:sc= -0.411 X(o=-0.41,f=-0.089) USER MOD Single : A 80 TYR OH : rot -146:sc= 1.3 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 85 GLN : amide:sc= -0.508 X(o=-0.51,f=-0.14) USER MOD Single : A 88 ASN : amide:sc= 0 K(o=0,f=-0.84) USER MOD Single : A 96 ASN : amide:sc= -0.639! C(o=-0.64!,f=-4.1!) USER MOD Single : A 105 SER OG : rot 70:sc= 1.09 USER MOD Single : A 111 CYS SG : rot -79:sc= -0.802 USER MOD Single : A 114 SER OG : rot -82:sc= 1.11 USER MOD Single : A 117 LYS NZ :NH3+ 176:sc= 1.27 (180deg=1.03) USER MOD Single : A 119 MET CE :methyl -132:sc= -4.55! (180deg=-7.49!) USER MOD Single : A 120 GLN : amide:sc= 0 K(o=0,f=-0.6) USER MOD Single : A 124 SER OG : rot 180:sc= 0.0532 USER MOD Single : A 130 MET CE :methyl 178:sc= -3.51! (180deg=-3.69!) USER MOD Single : A 132 THR OG1 : rot 88:sc= 1.28 USER MOD Single : A 133 TYR OH : rot 78:sc= -0.0297 USER MOD Single : A 135 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 137 HIS : no HD1:sc= 1.03 K(o=1,f=-3.6!) USER MOD Single : A 143 GLN : amide:sc= -0.203 K(o=-0.2,f=-0.74) USER MOD Single : A 145 ASN : amide:sc= 0.694 K(o=0.69,f=0) USER MOD Single : A 150 THR OG1 : rot -170:sc= 0.476 USER MOD Single : A 157 ASN : amide:sc= -0.133 K(o=-0.13,f=-2.3!) USER MOD Single : A 158 ASN : amide:sc= 0.0813 X(o=0.081,f=-0.35) USER MOD Single : A 163 SER OG : rot 180:sc= 0 USER MOD Single : A 165 LYS NZ :NH3+ -169:sc= -0.0212 (180deg=-0.165) USER MOD Single : A 167 GLN : amide:sc= -0.129 K(o=-0.13,f=-0.79) USER MOD ----------------------------------------------------------------- ATOM 48 N SER A 4 5.123 0.446 13.307 1.00 0.88 N ATOM 49 CA SER A 4 3.965 -0.115 12.617 1.00 0.77 C ATOM 50 C SER A 4 4.071 0.069 11.105 1.00 0.62 C ATOM 51 O SER A 4 3.408 -0.627 10.336 1.00 0.64 O ATOM 52 CB SER A 4 2.686 0.531 13.153 1.00 1.02 C ATOM 53 OG SER A 4 2.850 1.930 13.312 1.00 1.34 O ATOM 0 HA SER A 4 3.934 -1.187 12.811 1.00 0.77 H new ATOM 0 HB2 SER A 4 1.861 0.334 12.469 1.00 1.02 H new ATOM 0 HB3 SER A 4 2.421 0.081 14.110 1.00 1.02 H new ATOM 0 HG SER A 4 3.805 2.145 13.351 1.00 1.34 H new ATOM 59 N ASN A 5 4.924 0.998 10.683 1.00 0.59 N ATOM 60 CA ASN A 5 5.159 1.235 9.261 1.00 0.55 C ATOM 61 C ASN A 5 5.722 -0.008 8.579 1.00 0.43 C ATOM 62 O ASN A 5 5.469 -0.245 7.399 1.00 0.44 O ATOM 63 CB ASN A 5 6.116 2.415 9.061 1.00 0.65 C ATOM 64 CG ASN A 5 5.437 3.758 9.263 1.00 0.94 C ATOM 65 OD1 ASN A 5 4.243 3.907 9.004 1.00 1.71 O ATOM 66 ND2 ASN A 5 6.190 4.743 9.727 1.00 0.67 N ATOM 0 H ASN A 5 5.464 1.599 11.305 1.00 0.59 H new ATOM 0 HA ASN A 5 4.199 1.474 8.804 1.00 0.55 H new ATOM 0 HB2 ASN A 5 6.949 2.325 9.758 1.00 0.65 H new ATOM 0 HB3 ASN A 5 6.535 2.372 8.056 1.00 0.65 H new ATOM 0 HD21 ASN A 5 5.784 5.666 9.882 1.00 0.67 H new ATOM 0 HD22 ASN A 5 7.176 4.579 9.930 1.00 0.67 H new ATOM 73 N ARG A 6 6.471 -0.812 9.329 1.00 0.41 N ATOM 74 CA ARG A 6 7.069 -2.018 8.776 1.00 0.41 C ATOM 75 C ARG A 6 5.991 -3.057 8.469 1.00 0.37 C ATOM 76 O ARG A 6 6.129 -3.841 7.529 1.00 0.38 O ATOM 77 CB ARG A 6 8.105 -2.599 9.742 1.00 0.54 C ATOM 78 CG ARG A 6 9.003 -3.651 9.107 1.00 0.65 C ATOM 79 CD ARG A 6 9.952 -4.269 10.119 1.00 0.83 C ATOM 80 NE ARG A 6 9.235 -5.031 11.140 1.00 1.50 N ATOM 81 CZ ARG A 6 9.680 -5.227 12.378 1.00 2.14 C ATOM 82 NH1 ARG A 6 10.842 -4.712 12.766 1.00 2.16 N ATOM 83 NH2 ARG A 6 8.955 -5.945 13.222 1.00 3.18 N ATOM 0 H ARG A 6 6.676 -0.650 10.315 1.00 0.41 H new ATOM 0 HA ARG A 6 7.573 -1.753 7.847 1.00 0.41 H new ATOM 0 HB2 ARG A 6 8.724 -1.789 10.129 1.00 0.54 H new ATOM 0 HB3 ARG A 6 7.588 -3.040 10.594 1.00 0.54 H new ATOM 0 HG2 ARG A 6 8.388 -4.433 8.661 1.00 0.65 H new ATOM 0 HG3 ARG A 6 9.578 -3.198 8.299 1.00 0.65 H new ATOM 0 HD2 ARG A 6 10.656 -4.923 9.605 1.00 0.83 H new ATOM 0 HD3 ARG A 6 10.537 -3.483 10.596 1.00 0.83 H new ATOM 0 HE ARG A 6 8.335 -5.439 10.887 1.00 1.50 H new ATOM 0 HH11 ARG A 6 11.400 -4.162 12.113 1.00 2.16 H new ATOM 0 HH12 ARG A 6 11.176 -4.867 13.717 1.00 2.16 H new ATOM 0 HH21 ARG A 6 8.065 -6.341 12.920 1.00 3.18 H new ATOM 0 HH22 ARG A 6 9.287 -6.102 14.174 1.00 3.18 H new ATOM 97 N GLU A 7 4.913 -3.043 9.253 1.00 0.36 N ATOM 98 CA GLU A 7 3.784 -3.950 9.035 1.00 0.37 C ATOM 99 C GLU A 7 3.178 -3.700 7.665 1.00 0.29 C ATOM 100 O GLU A 7 2.805 -4.630 6.947 1.00 0.29 O ATOM 101 CB GLU A 7 2.693 -3.727 10.085 1.00 0.46 C ATOM 102 CG GLU A 7 3.121 -3.980 11.520 1.00 0.60 C ATOM 103 CD GLU A 7 2.010 -3.662 12.499 1.00 1.39 C ATOM 104 OE1 GLU A 7 1.005 -4.397 12.525 1.00 1.58 O ATOM 105 OE2 GLU A 7 2.139 -2.679 13.258 1.00 2.00 O ATOM 0 H GLU A 7 4.797 -2.413 10.046 1.00 0.36 H new ATOM 0 HA GLU A 7 4.158 -4.971 9.109 1.00 0.37 H new ATOM 0 HB2 GLU A 7 2.336 -2.700 10.004 1.00 0.46 H new ATOM 0 HB3 GLU A 7 1.849 -4.377 9.854 1.00 0.46 H new ATOM 0 HG2 GLU A 7 3.418 -5.023 11.633 1.00 0.60 H new ATOM 0 HG3 GLU A 7 3.996 -3.372 11.752 1.00 0.60 H new ATOM 112 N LEU A 8 3.112 -2.426 7.314 1.00 0.27 N ATOM 113 CA LEU A 8 2.476 -1.982 6.087 1.00 0.28 C ATOM 114 C LEU A 8 3.297 -2.406 4.886 1.00 0.28 C ATOM 115 O LEU A 8 2.796 -2.483 3.771 1.00 0.39 O ATOM 116 CB LEU A 8 2.329 -0.464 6.119 1.00 0.31 C ATOM 117 CG LEU A 8 1.739 0.086 7.412 1.00 0.33 C ATOM 118 CD1 LEU A 8 1.699 1.601 7.374 1.00 0.36 C ATOM 119 CD2 LEU A 8 0.354 -0.491 7.641 1.00 0.35 C ATOM 0 H LEU A 8 3.500 -1.668 7.876 1.00 0.27 H new ATOM 0 HA LEU A 8 1.490 -2.439 6.005 1.00 0.28 H new ATOM 0 HB2 LEU A 8 3.309 -0.013 5.961 1.00 0.31 H new ATOM 0 HB3 LEU A 8 1.698 -0.155 5.286 1.00 0.31 H new ATOM 0 HG LEU A 8 2.375 -0.212 8.245 1.00 0.33 H new ATOM 0 HD11 LEU A 8 1.275 1.977 8.305 1.00 0.36 H new ATOM 0 HD12 LEU A 8 2.711 1.989 7.253 1.00 0.36 H new ATOM 0 HD13 LEU A 8 1.083 1.928 6.536 1.00 0.36 H new ATOM 0 HD21 LEU A 8 -0.058 -0.091 8.568 1.00 0.35 H new ATOM 0 HD22 LEU A 8 -0.295 -0.220 6.808 1.00 0.35 H new ATOM 0 HD23 LEU A 8 0.419 -1.577 7.712 1.00 0.35 H new ATOM 131 N VAL A 9 4.566 -2.667 5.130 1.00 0.26 N ATOM 132 CA VAL A 9 5.456 -3.166 4.106 1.00 0.28 C ATOM 133 C VAL A 9 5.417 -4.689 4.074 1.00 0.29 C ATOM 134 O VAL A 9 4.948 -5.281 3.109 1.00 0.31 O ATOM 135 CB VAL A 9 6.898 -2.702 4.361 1.00 0.32 C ATOM 136 CG1 VAL A 9 7.834 -3.266 3.308 1.00 0.38 C ATOM 137 CG2 VAL A 9 6.970 -1.185 4.393 1.00 0.31 C ATOM 0 H VAL A 9 5.006 -2.539 6.041 1.00 0.26 H new ATOM 0 HA VAL A 9 5.122 -2.770 3.147 1.00 0.28 H new ATOM 0 HB VAL A 9 7.216 -3.079 5.333 1.00 0.32 H new ATOM 0 HG11 VAL A 9 8.851 -2.926 3.505 1.00 0.38 H new ATOM 0 HG12 VAL A 9 7.803 -4.355 3.339 1.00 0.38 H new ATOM 0 HG13 VAL A 9 7.522 -2.922 2.322 1.00 0.38 H new ATOM 0 HG21 VAL A 9 7.999 -0.873 4.575 1.00 0.31 H new ATOM 0 HG22 VAL A 9 6.633 -0.785 3.437 1.00 0.31 H new ATOM 0 HG23 VAL A 9 6.330 -0.807 5.190 1.00 0.31 H new ATOM 147 N VAL A 10 5.891 -5.302 5.154 1.00 0.30 N ATOM 148 CA VAL A 10 6.042 -6.752 5.241 1.00 0.32 C ATOM 149 C VAL A 10 4.770 -7.490 4.842 1.00 0.35 C ATOM 150 O VAL A 10 4.772 -8.265 3.882 1.00 0.36 O ATOM 151 CB VAL A 10 6.452 -7.171 6.667 1.00 0.37 C ATOM 152 CG1 VAL A 10 6.447 -8.681 6.811 1.00 0.42 C ATOM 153 CG2 VAL A 10 7.824 -6.612 7.002 1.00 0.38 C ATOM 0 H VAL A 10 6.182 -4.806 5.997 1.00 0.30 H new ATOM 0 HA VAL A 10 6.827 -7.028 4.537 1.00 0.32 H new ATOM 0 HB VAL A 10 5.723 -6.762 7.367 1.00 0.37 H new ATOM 0 HG11 VAL A 10 6.740 -8.951 7.826 1.00 0.42 H new ATOM 0 HG12 VAL A 10 5.446 -9.062 6.608 1.00 0.42 H new ATOM 0 HG13 VAL A 10 7.152 -9.116 6.102 1.00 0.42 H new ATOM 0 HG21 VAL A 10 8.103 -6.914 8.011 1.00 0.38 H new ATOM 0 HG22 VAL A 10 8.557 -6.996 6.292 1.00 0.38 H new ATOM 0 HG23 VAL A 10 7.798 -5.524 6.943 1.00 0.38 H new ATOM 163 N ASP A 11 3.685 -7.239 5.564 1.00 0.39 N ATOM 164 CA ASP A 11 2.442 -7.975 5.347 1.00 0.46 C ATOM 165 C ASP A 11 1.869 -7.663 3.969 1.00 0.44 C ATOM 166 O ASP A 11 1.138 -8.467 3.388 1.00 0.50 O ATOM 167 CB ASP A 11 1.417 -7.643 6.440 1.00 0.55 C ATOM 168 CG ASP A 11 0.296 -8.665 6.513 1.00 0.71 C ATOM 169 OD1 ASP A 11 0.548 -9.803 6.953 1.00 0.92 O ATOM 170 OD2 ASP A 11 -0.848 -8.337 6.136 1.00 0.84 O ATOM 0 H ASP A 11 3.638 -6.536 6.301 1.00 0.39 H new ATOM 0 HA ASP A 11 2.664 -9.041 5.397 1.00 0.46 H new ATOM 0 HB2 ASP A 11 1.922 -7.592 7.405 1.00 0.55 H new ATOM 0 HB3 ASP A 11 0.994 -6.657 6.250 1.00 0.55 H new ATOM 175 N PHE A 12 2.228 -6.505 3.435 1.00 0.41 N ATOM 176 CA PHE A 12 1.773 -6.102 2.110 1.00 0.42 C ATOM 177 C PHE A 12 2.567 -6.839 1.035 1.00 0.37 C ATOM 178 O PHE A 12 2.014 -7.249 0.013 1.00 0.41 O ATOM 179 CB PHE A 12 1.923 -4.586 1.927 1.00 0.44 C ATOM 180 CG PHE A 12 1.174 -4.030 0.749 1.00 0.48 C ATOM 181 CD1 PHE A 12 1.773 -3.980 -0.499 1.00 0.46 C ATOM 182 CD2 PHE A 12 -0.126 -3.565 0.885 1.00 0.62 C ATOM 183 CE1 PHE A 12 1.092 -3.475 -1.590 1.00 0.51 C ATOM 184 CE2 PHE A 12 -0.811 -3.059 -0.203 1.00 0.68 C ATOM 185 CZ PHE A 12 -0.221 -2.989 -1.417 1.00 0.60 C ATOM 0 H PHE A 12 2.833 -5.827 3.898 1.00 0.41 H new ATOM 0 HA PHE A 12 0.719 -6.361 2.013 1.00 0.42 H new ATOM 0 HB2 PHE A 12 1.577 -4.086 2.832 1.00 0.44 H new ATOM 0 HB3 PHE A 12 2.981 -4.348 1.816 1.00 0.44 H new ATOM 0 HD1 PHE A 12 2.784 -4.340 -0.621 1.00 0.46 H new ATOM 0 HD2 PHE A 12 -0.607 -3.599 1.851 1.00 0.62 H new ATOM 0 HE1 PHE A 12 1.559 -3.453 -2.563 1.00 0.51 H new ATOM 0 HE2 PHE A 12 -1.828 -2.716 -0.082 1.00 0.68 H new ATOM 0 HZ PHE A 12 -0.754 -2.562 -2.253 1.00 0.60 H new ATOM 195 N LEU A 13 3.863 -7.019 1.271 1.00 0.33 N ATOM 196 CA LEU A 13 4.707 -7.742 0.332 1.00 0.32 C ATOM 197 C LEU A 13 4.286 -9.203 0.292 1.00 0.33 C ATOM 198 O LEU A 13 4.250 -9.824 -0.770 1.00 0.35 O ATOM 199 CB LEU A 13 6.187 -7.626 0.715 1.00 0.32 C ATOM 200 CG LEU A 13 6.693 -6.199 0.941 1.00 0.34 C ATOM 201 CD1 LEU A 13 8.207 -6.178 1.073 1.00 0.40 C ATOM 202 CD2 LEU A 13 6.243 -5.276 -0.182 1.00 0.38 C ATOM 0 H LEU A 13 4.347 -6.675 2.100 1.00 0.33 H new ATOM 0 HA LEU A 13 4.584 -7.300 -0.657 1.00 0.32 H new ATOM 0 HB2 LEU A 13 6.356 -8.203 1.624 1.00 0.32 H new ATOM 0 HB3 LEU A 13 6.786 -8.086 -0.071 1.00 0.32 H new ATOM 0 HG LEU A 13 6.261 -5.835 1.873 1.00 0.34 H new ATOM 0 HD11 LEU A 13 8.544 -5.154 1.233 1.00 0.40 H new ATOM 0 HD12 LEU A 13 8.507 -6.795 1.920 1.00 0.40 H new ATOM 0 HD13 LEU A 13 8.657 -6.570 0.161 1.00 0.40 H new ATOM 0 HD21 LEU A 13 6.616 -4.269 0.003 1.00 0.38 H new ATOM 0 HD22 LEU A 13 6.636 -5.640 -1.131 1.00 0.38 H new ATOM 0 HD23 LEU A 13 5.154 -5.258 -0.224 1.00 0.38 H new ATOM 214 N SER A 14 3.936 -9.731 1.459 1.00 0.34 N ATOM 215 CA SER A 14 3.428 -11.090 1.569 1.00 0.38 C ATOM 216 C SER A 14 2.154 -11.256 0.739 1.00 0.39 C ATOM 217 O SER A 14 1.905 -12.318 0.172 1.00 0.41 O ATOM 218 CB SER A 14 3.145 -11.419 3.036 1.00 0.45 C ATOM 219 OG SER A 14 4.263 -11.106 3.851 1.00 1.14 O ATOM 0 H SER A 14 3.996 -9.233 2.347 1.00 0.34 H new ATOM 0 HA SER A 14 4.181 -11.778 1.185 1.00 0.38 H new ATOM 0 HB2 SER A 14 2.274 -10.859 3.377 1.00 0.45 H new ATOM 0 HB3 SER A 14 2.903 -12.477 3.135 1.00 0.45 H new ATOM 0 HG SER A 14 4.318 -10.135 3.972 1.00 1.14 H new ATOM 225 N TYR A 15 1.376 -10.182 0.642 1.00 0.42 N ATOM 226 CA TYR A 15 0.105 -10.203 -0.077 1.00 0.47 C ATOM 227 C TYR A 15 0.335 -10.420 -1.571 1.00 0.45 C ATOM 228 O TYR A 15 -0.462 -11.073 -2.249 1.00 0.52 O ATOM 229 CB TYR A 15 -0.648 -8.890 0.170 1.00 0.55 C ATOM 230 CG TYR A 15 -2.022 -8.827 -0.459 1.00 0.66 C ATOM 231 CD1 TYR A 15 -3.034 -9.691 -0.057 1.00 0.79 C ATOM 232 CD2 TYR A 15 -2.304 -7.908 -1.461 1.00 0.78 C ATOM 233 CE1 TYR A 15 -4.286 -9.641 -0.638 1.00 0.96 C ATOM 234 CE2 TYR A 15 -3.553 -7.850 -2.042 1.00 0.94 C ATOM 235 CZ TYR A 15 -4.552 -8.701 -1.602 1.00 1.02 C ATOM 236 OH TYR A 15 -5.784 -8.666 -2.216 1.00 1.20 O ATOM 0 H TYR A 15 1.606 -9.279 1.056 1.00 0.42 H new ATOM 0 HA TYR A 15 -0.498 -11.032 0.293 1.00 0.47 H new ATOM 0 HB2 TYR A 15 -0.747 -8.739 1.245 1.00 0.55 H new ATOM 0 HB3 TYR A 15 -0.049 -8.064 -0.214 1.00 0.55 H new ATOM 0 HD1 TYR A 15 -2.838 -10.413 0.722 1.00 0.79 H new ATOM 0 HD2 TYR A 15 -1.533 -7.228 -1.791 1.00 0.78 H new ATOM 0 HE1 TYR A 15 -5.053 -10.339 -0.335 1.00 0.96 H new ATOM 0 HE2 TYR A 15 -3.751 -7.145 -2.836 1.00 0.94 H new ATOM 0 HH TYR A 15 -5.802 -7.938 -2.872 1.00 1.20 H new ATOM 246 N LYS A 16 1.435 -9.882 -2.077 1.00 0.40 N ATOM 247 CA LYS A 16 1.789 -10.048 -3.478 1.00 0.41 C ATOM 248 C LYS A 16 2.504 -11.378 -3.700 1.00 0.35 C ATOM 249 O LYS A 16 2.280 -12.052 -4.704 1.00 0.39 O ATOM 250 CB LYS A 16 2.668 -8.889 -3.948 1.00 0.49 C ATOM 251 CG LYS A 16 1.891 -7.657 -4.402 1.00 0.90 C ATOM 252 CD LYS A 16 1.194 -7.902 -5.733 1.00 0.83 C ATOM 253 CE LYS A 16 0.771 -6.601 -6.406 1.00 1.35 C ATOM 254 NZ LYS A 16 -0.379 -5.944 -5.729 1.00 1.39 N ATOM 0 H LYS A 16 2.098 -9.326 -1.537 1.00 0.40 H new ATOM 0 HA LYS A 16 0.870 -10.049 -4.064 1.00 0.41 H new ATOM 0 HB2 LYS A 16 3.337 -8.604 -3.137 1.00 0.49 H new ATOM 0 HB3 LYS A 16 3.294 -9.233 -4.771 1.00 0.49 H new ATOM 0 HG2 LYS A 16 1.152 -7.391 -3.646 1.00 0.90 H new ATOM 0 HG3 LYS A 16 2.571 -6.810 -4.495 1.00 0.90 H new ATOM 0 HD2 LYS A 16 1.862 -8.452 -6.396 1.00 0.83 H new ATOM 0 HD3 LYS A 16 0.317 -8.529 -5.573 1.00 0.83 H new ATOM 0 HE2 LYS A 16 1.617 -5.914 -6.421 1.00 1.35 H new ATOM 0 HE3 LYS A 16 0.507 -6.804 -7.444 1.00 1.35 H new ATOM 0 HZ1 LYS A 16 -0.621 -5.066 -6.230 1.00 1.39 H new ATOM 0 HZ2 LYS A 16 -1.198 -6.584 -5.737 1.00 1.39 H new ATOM 0 HZ3 LYS A 16 -0.122 -5.722 -4.746 1.00 1.39 H new ATOM 268 N LEU A 17 3.357 -11.753 -2.755 1.00 0.30 N ATOM 269 CA LEU A 17 4.087 -13.010 -2.833 1.00 0.27 C ATOM 270 C LEU A 17 3.146 -14.209 -2.797 1.00 0.31 C ATOM 271 O LEU A 17 3.332 -15.169 -3.544 1.00 0.32 O ATOM 272 CB LEU A 17 5.105 -13.098 -1.697 1.00 0.25 C ATOM 273 CG LEU A 17 6.274 -12.129 -1.819 1.00 0.24 C ATOM 274 CD1 LEU A 17 7.069 -12.093 -0.532 1.00 0.29 C ATOM 275 CD2 LEU A 17 7.169 -12.527 -2.977 1.00 0.25 C ATOM 0 H LEU A 17 3.560 -11.201 -1.922 1.00 0.30 H new ATOM 0 HA LEU A 17 4.613 -13.033 -3.787 1.00 0.27 H new ATOM 0 HB2 LEU A 17 4.593 -12.913 -0.753 1.00 0.25 H new ATOM 0 HB3 LEU A 17 5.495 -14.115 -1.654 1.00 0.25 H new ATOM 0 HG LEU A 17 5.877 -11.132 -2.010 1.00 0.24 H new ATOM 0 HD11 LEU A 17 7.900 -11.396 -0.637 1.00 0.29 H new ATOM 0 HD12 LEU A 17 6.424 -11.769 0.285 1.00 0.29 H new ATOM 0 HD13 LEU A 17 7.456 -13.089 -0.315 1.00 0.29 H new ATOM 0 HD21 LEU A 17 8.000 -11.826 -3.052 1.00 0.25 H new ATOM 0 HD22 LEU A 17 7.556 -13.532 -2.809 1.00 0.25 H new ATOM 0 HD23 LEU A 17 6.595 -12.510 -3.903 1.00 0.25 H new ATOM 287 N SER A 18 2.130 -14.151 -1.942 1.00 0.37 N ATOM 288 CA SER A 18 1.145 -15.224 -1.853 1.00 0.44 C ATOM 289 C SER A 18 0.344 -15.323 -3.149 1.00 0.47 C ATOM 290 O SER A 18 -0.155 -16.390 -3.508 1.00 0.51 O ATOM 291 CB SER A 18 0.207 -14.986 -0.669 1.00 0.54 C ATOM 292 OG SER A 18 0.933 -14.888 0.544 1.00 1.26 O ATOM 0 H SER A 18 1.967 -13.374 -1.302 1.00 0.37 H new ATOM 0 HA SER A 18 1.673 -16.165 -1.699 1.00 0.44 H new ATOM 0 HB2 SER A 18 -0.363 -14.071 -0.831 1.00 0.54 H new ATOM 0 HB3 SER A 18 -0.513 -15.802 -0.601 1.00 0.54 H new ATOM 0 HG SER A 18 1.380 -14.017 0.588 1.00 1.26 H new ATOM 298 N GLN A 19 0.244 -14.202 -3.856 1.00 0.48 N ATOM 299 CA GLN A 19 -0.452 -14.151 -5.135 1.00 0.53 C ATOM 300 C GLN A 19 0.387 -14.838 -6.210 1.00 0.48 C ATOM 301 O GLN A 19 -0.139 -15.408 -7.167 1.00 0.55 O ATOM 302 CB GLN A 19 -0.705 -12.690 -5.522 1.00 0.59 C ATOM 303 CG GLN A 19 -1.405 -12.502 -6.857 1.00 0.71 C ATOM 304 CD GLN A 19 -1.222 -11.100 -7.407 1.00 1.06 C ATOM 305 OE1 GLN A 19 -0.278 -10.838 -8.151 1.00 1.72 O ATOM 306 NE2 GLN A 19 -2.104 -10.186 -7.033 1.00 1.65 N ATOM 0 H GLN A 19 0.640 -13.310 -3.561 1.00 0.48 H new ATOM 0 HA GLN A 19 -1.407 -14.670 -5.048 1.00 0.53 H new ATOM 0 HB2 GLN A 19 -1.305 -12.220 -4.743 1.00 0.59 H new ATOM 0 HB3 GLN A 19 0.250 -12.165 -5.550 1.00 0.59 H new ATOM 0 HG2 GLN A 19 -1.017 -13.225 -7.574 1.00 0.71 H new ATOM 0 HG3 GLN A 19 -2.469 -12.709 -6.740 1.00 0.71 H new ATOM 0 HE21 GLN A 19 -2.873 -10.443 -6.415 1.00 1.65 H new ATOM 0 HE22 GLN A 19 -2.014 -9.225 -7.363 1.00 1.65 H new ATOM 315 N LYS A 20 1.699 -14.785 -6.029 1.00 0.41 N ATOM 316 CA LYS A 20 2.637 -15.348 -6.990 1.00 0.40 C ATOM 317 C LYS A 20 3.063 -16.760 -6.594 1.00 0.44 C ATOM 318 O LYS A 20 3.874 -17.386 -7.276 1.00 0.48 O ATOM 319 CB LYS A 20 3.858 -14.439 -7.100 1.00 0.36 C ATOM 320 CG LYS A 20 3.535 -13.055 -7.645 1.00 0.68 C ATOM 321 CD LYS A 20 3.182 -13.109 -9.125 1.00 0.61 C ATOM 322 CE LYS A 20 2.867 -11.732 -9.694 1.00 1.06 C ATOM 323 NZ LYS A 20 4.059 -10.846 -9.705 1.00 1.87 N ATOM 0 H LYS A 20 2.141 -14.354 -5.217 1.00 0.41 H new ATOM 0 HA LYS A 20 2.140 -15.414 -7.958 1.00 0.40 H new ATOM 0 HB2 LYS A 20 4.315 -14.336 -6.116 1.00 0.36 H new ATOM 0 HB3 LYS A 20 4.597 -14.912 -7.746 1.00 0.36 H new ATOM 0 HG2 LYS A 20 2.702 -12.628 -7.086 1.00 0.68 H new ATOM 0 HG3 LYS A 20 4.390 -12.395 -7.497 1.00 0.68 H new ATOM 0 HD2 LYS A 20 4.012 -13.547 -9.679 1.00 0.61 H new ATOM 0 HD3 LYS A 20 2.323 -13.764 -9.268 1.00 0.61 H new ATOM 0 HE2 LYS A 20 2.486 -11.838 -10.710 1.00 1.06 H new ATOM 0 HE3 LYS A 20 2.077 -11.268 -9.104 1.00 1.06 H new ATOM 0 HZ1 LYS A 20 3.831 -9.964 -10.207 1.00 1.87 H new ATOM 0 HZ2 LYS A 20 4.337 -10.626 -8.727 1.00 1.87 H new ATOM 0 HZ3 LYS A 20 4.844 -11.326 -10.189 1.00 1.87 H new ATOM 337 N GLY A 21 2.519 -17.252 -5.487 1.00 0.48 N ATOM 338 CA GLY A 21 2.791 -18.616 -5.067 1.00 0.54 C ATOM 339 C GLY A 21 4.064 -18.764 -4.248 1.00 0.53 C ATOM 340 O GLY A 21 4.675 -19.834 -4.238 1.00 0.67 O ATOM 0 H GLY A 21 1.894 -16.731 -4.872 1.00 0.48 H new ATOM 0 HA2 GLY A 21 1.948 -18.980 -4.480 1.00 0.54 H new ATOM 0 HA3 GLY A 21 2.862 -19.251 -5.950 1.00 0.54 H new ATOM 344 N TYR A 22 4.484 -17.702 -3.568 1.00 0.43 N ATOM 345 CA TYR A 22 5.655 -17.780 -2.696 1.00 0.42 C ATOM 346 C TYR A 22 5.248 -17.564 -1.239 1.00 0.43 C ATOM 347 O TYR A 22 4.275 -16.859 -0.959 1.00 0.46 O ATOM 348 CB TYR A 22 6.718 -16.751 -3.114 1.00 0.40 C ATOM 349 CG TYR A 22 7.173 -16.895 -4.554 1.00 0.48 C ATOM 350 CD1 TYR A 22 7.551 -18.133 -5.061 1.00 0.65 C ATOM 351 CD2 TYR A 22 7.231 -15.795 -5.403 1.00 0.47 C ATOM 352 CE1 TYR A 22 7.974 -18.271 -6.369 1.00 0.75 C ATOM 353 CE2 TYR A 22 7.656 -15.926 -6.711 1.00 0.57 C ATOM 354 CZ TYR A 22 7.990 -17.158 -7.201 1.00 0.69 C ATOM 355 OH TYR A 22 8.458 -17.293 -8.489 1.00 0.81 O ATOM 0 H TYR A 22 4.038 -16.785 -3.601 1.00 0.43 H new ATOM 0 HA TYR A 22 6.088 -18.775 -2.794 1.00 0.42 H new ATOM 0 HB2 TYR A 22 6.317 -15.748 -2.967 1.00 0.40 H new ATOM 0 HB3 TYR A 22 7.583 -16.848 -2.458 1.00 0.40 H new ATOM 0 HD1 TYR A 22 7.513 -19.002 -4.421 1.00 0.65 H new ATOM 0 HD2 TYR A 22 6.939 -14.823 -5.034 1.00 0.47 H new ATOM 0 HE1 TYR A 22 8.289 -19.235 -6.741 1.00 0.75 H new ATOM 0 HE2 TYR A 22 7.724 -15.055 -7.346 1.00 0.57 H new ATOM 0 HH TYR A 22 8.284 -16.468 -8.988 1.00 0.81 H new ATOM 365 N SER A 23 5.983 -18.173 -0.316 1.00 0.45 N ATOM 366 CA SER A 23 5.671 -18.078 1.103 1.00 0.49 C ATOM 367 C SER A 23 6.654 -17.146 1.804 1.00 0.43 C ATOM 368 O SER A 23 7.859 -17.402 1.821 1.00 0.44 O ATOM 369 CB SER A 23 5.715 -19.468 1.746 1.00 0.59 C ATOM 370 OG SER A 23 5.418 -19.412 3.134 1.00 1.41 O ATOM 0 H SER A 23 6.804 -18.741 -0.528 1.00 0.45 H new ATOM 0 HA SER A 23 4.666 -17.669 1.211 1.00 0.49 H new ATOM 0 HB2 SER A 23 5.001 -20.123 1.247 1.00 0.59 H new ATOM 0 HB3 SER A 23 6.703 -19.905 1.602 1.00 0.59 H new ATOM 0 HG SER A 23 5.453 -20.315 3.513 1.00 1.41 H new ATOM 376 N TRP A 24 6.133 -16.071 2.389 1.00 0.43 N ATOM 377 CA TRP A 24 6.966 -15.109 3.105 1.00 0.41 C ATOM 378 C TRP A 24 7.599 -15.757 4.331 1.00 0.47 C ATOM 379 O TRP A 24 8.688 -15.371 4.755 1.00 0.53 O ATOM 380 CB TRP A 24 6.146 -13.876 3.522 1.00 0.44 C ATOM 381 CG TRP A 24 6.931 -12.886 4.338 1.00 0.46 C ATOM 382 CD1 TRP A 24 6.897 -12.731 5.697 1.00 0.55 C ATOM 383 CD2 TRP A 24 7.875 -11.920 3.853 1.00 0.43 C ATOM 384 NE1 TRP A 24 7.761 -11.735 6.081 1.00 0.57 N ATOM 385 CE2 TRP A 24 8.371 -11.221 4.970 1.00 0.50 C ATOM 386 CE3 TRP A 24 8.350 -11.579 2.584 1.00 0.39 C ATOM 387 CZ2 TRP A 24 9.316 -10.203 4.855 1.00 0.51 C ATOM 388 CZ3 TRP A 24 9.287 -10.570 2.471 1.00 0.43 C ATOM 389 CH2 TRP A 24 9.762 -9.892 3.600 1.00 0.48 C ATOM 0 H TRP A 24 5.139 -15.844 2.381 1.00 0.43 H new ATOM 0 HA TRP A 24 7.759 -14.784 2.431 1.00 0.41 H new ATOM 0 HB2 TRP A 24 5.768 -13.380 2.628 1.00 0.44 H new ATOM 0 HB3 TRP A 24 5.279 -14.202 4.096 1.00 0.44 H new ATOM 0 HD1 TRP A 24 6.280 -13.308 6.370 1.00 0.55 H new ATOM 0 HE1 TRP A 24 7.922 -11.428 7.040 1.00 0.57 H new ATOM 0 HE3 TRP A 24 7.991 -12.095 1.706 1.00 0.39 H new ATOM 0 HZ2 TRP A 24 9.683 -9.679 5.725 1.00 0.51 H new ATOM 0 HZ3 TRP A 24 9.660 -10.299 1.494 1.00 0.43 H new ATOM 0 HH2 TRP A 24 10.495 -9.108 3.478 1.00 0.48 H new ATOM 400 N SER A 25 6.928 -16.767 4.876 1.00 0.54 N ATOM 401 CA SER A 25 7.403 -17.454 6.072 1.00 0.63 C ATOM 402 C SER A 25 8.766 -18.110 5.829 1.00 0.63 C ATOM 403 O SER A 25 9.511 -18.389 6.769 1.00 0.75 O ATOM 404 CB SER A 25 6.375 -18.500 6.502 1.00 0.75 C ATOM 405 OG SER A 25 5.072 -17.935 6.551 1.00 1.20 O ATOM 0 H SER A 25 6.049 -17.129 4.506 1.00 0.54 H new ATOM 0 HA SER A 25 7.527 -16.721 6.869 1.00 0.63 H new ATOM 0 HB2 SER A 25 6.387 -19.337 5.804 1.00 0.75 H new ATOM 0 HB3 SER A 25 6.641 -18.897 7.481 1.00 0.75 H new ATOM 0 HG SER A 25 4.428 -18.621 6.826 1.00 1.20 H new ATOM 411 N GLN A 26 9.095 -18.333 4.561 1.00 0.61 N ATOM 412 CA GLN A 26 10.365 -18.939 4.193 1.00 0.73 C ATOM 413 C GLN A 26 11.471 -17.893 4.101 1.00 0.79 C ATOM 414 O GLN A 26 12.642 -18.233 3.932 1.00 0.93 O ATOM 415 CB GLN A 26 10.226 -19.675 2.858 1.00 0.80 C ATOM 416 CG GLN A 26 9.326 -20.902 2.934 1.00 1.25 C ATOM 417 CD GLN A 26 9.887 -21.974 3.850 1.00 1.53 C ATOM 418 OE1 GLN A 26 9.139 -22.722 4.481 1.00 1.91 O ATOM 419 NE2 GLN A 26 11.206 -22.060 3.932 1.00 2.26 N ATOM 0 H GLN A 26 8.495 -18.101 3.769 1.00 0.61 H new ATOM 0 HA GLN A 26 10.639 -19.651 4.971 1.00 0.73 H new ATOM 0 HB2 GLN A 26 9.828 -18.987 2.112 1.00 0.80 H new ATOM 0 HB3 GLN A 26 11.215 -19.980 2.515 1.00 0.80 H new ATOM 0 HG2 GLN A 26 8.339 -20.604 3.289 1.00 1.25 H new ATOM 0 HG3 GLN A 26 9.194 -21.315 1.934 1.00 1.25 H new ATOM 0 HE21 GLN A 26 11.793 -21.423 3.394 1.00 2.26 H new ATOM 0 HE22 GLN A 26 11.635 -22.764 4.533 1.00 2.26 H new ATOM 644 N GLU A 42 -3.720 0.891 14.122 1.00 1.02 N ATOM 645 CA GLU A 42 -3.630 1.832 13.007 1.00 0.87 C ATOM 646 C GLU A 42 -3.180 1.121 11.734 1.00 0.73 C ATOM 647 O GLU A 42 -3.684 1.405 10.645 1.00 0.63 O ATOM 648 CB GLU A 42 -2.651 2.964 13.344 1.00 1.05 C ATOM 649 CG GLU A 42 -2.390 3.920 12.190 1.00 1.53 C ATOM 650 CD GLU A 42 -1.380 4.989 12.545 1.00 2.12 C ATOM 651 OE1 GLU A 42 -0.179 4.665 12.648 1.00 2.82 O ATOM 652 OE2 GLU A 42 -1.779 6.161 12.714 1.00 2.42 O ATOM 0 HA GLU A 42 -4.621 2.255 12.839 1.00 0.87 H new ATOM 0 HB2 GLU A 42 -3.043 3.530 14.189 1.00 1.05 H new ATOM 0 HB3 GLU A 42 -1.704 2.529 13.663 1.00 1.05 H new ATOM 0 HG2 GLU A 42 -2.031 3.356 11.329 1.00 1.53 H new ATOM 0 HG3 GLU A 42 -3.327 4.393 11.894 1.00 1.53 H new ATOM 659 N SER A 43 -2.250 0.183 11.888 1.00 0.79 N ATOM 660 CA SER A 43 -1.710 -0.573 10.764 1.00 0.75 C ATOM 661 C SER A 43 -2.820 -1.268 9.978 1.00 0.67 C ATOM 662 O SER A 43 -2.788 -1.303 8.750 1.00 0.62 O ATOM 663 CB SER A 43 -0.698 -1.605 11.266 1.00 0.94 C ATOM 664 OG SER A 43 0.189 -1.027 12.211 1.00 1.14 O ATOM 0 H SER A 43 -1.851 -0.073 12.791 1.00 0.79 H new ATOM 0 HA SER A 43 -1.211 0.127 10.094 1.00 0.75 H new ATOM 0 HB2 SER A 43 -1.224 -2.444 11.721 1.00 0.94 H new ATOM 0 HB3 SER A 43 -0.131 -2.003 10.425 1.00 0.94 H new ATOM 0 HG SER A 43 0.110 -1.500 13.066 1.00 1.14 H new ATOM 670 N GLU A 44 -3.817 -1.784 10.688 1.00 0.72 N ATOM 671 CA GLU A 44 -4.934 -2.482 10.053 1.00 0.73 C ATOM 672 C GLU A 44 -5.738 -1.548 9.154 1.00 0.61 C ATOM 673 O GLU A 44 -6.360 -1.986 8.187 1.00 0.66 O ATOM 674 CB GLU A 44 -5.851 -3.101 11.109 1.00 0.85 C ATOM 675 CG GLU A 44 -5.336 -4.415 11.671 1.00 1.32 C ATOM 676 CD GLU A 44 -5.323 -5.515 10.629 1.00 1.96 C ATOM 677 OE1 GLU A 44 -6.416 -5.974 10.236 1.00 1.90 O ATOM 678 OE2 GLU A 44 -4.230 -5.918 10.188 1.00 2.98 O ATOM 0 H GLU A 44 -3.877 -1.733 11.705 1.00 0.72 H new ATOM 0 HA GLU A 44 -4.514 -3.275 9.433 1.00 0.73 H new ATOM 0 HB2 GLU A 44 -5.979 -2.392 11.927 1.00 0.85 H new ATOM 0 HB3 GLU A 44 -6.836 -3.264 10.671 1.00 0.85 H new ATOM 0 HG2 GLU A 44 -4.328 -4.272 12.059 1.00 1.32 H new ATOM 0 HG3 GLU A 44 -5.961 -4.719 12.511 1.00 1.32 H new ATOM 685 N ALA A 45 -5.714 -0.261 9.465 1.00 0.53 N ATOM 686 CA ALA A 45 -6.458 0.718 8.694 1.00 0.45 C ATOM 687 C ALA A 45 -5.692 1.099 7.436 1.00 0.39 C ATOM 688 O ALA A 45 -6.221 1.028 6.328 1.00 0.39 O ATOM 689 CB ALA A 45 -6.743 1.949 9.536 1.00 0.48 C ATOM 0 H ALA A 45 -5.187 0.128 10.247 1.00 0.53 H new ATOM 0 HA ALA A 45 -7.408 0.274 8.397 1.00 0.45 H new ATOM 0 HB1 ALA A 45 -7.302 2.674 8.944 1.00 0.48 H new ATOM 0 HB2 ALA A 45 -7.330 1.665 10.409 1.00 0.48 H new ATOM 0 HB3 ALA A 45 -5.802 2.394 9.860 1.00 0.48 H new ATOM 695 N VAL A 46 -4.438 1.489 7.614 1.00 0.36 N ATOM 696 CA VAL A 46 -3.604 1.913 6.501 1.00 0.32 C ATOM 697 C VAL A 46 -3.293 0.755 5.559 1.00 0.34 C ATOM 698 O VAL A 46 -3.325 0.921 4.343 1.00 0.35 O ATOM 699 CB VAL A 46 -2.298 2.583 6.982 1.00 0.33 C ATOM 700 CG1 VAL A 46 -1.834 2.002 8.302 1.00 0.34 C ATOM 701 CG2 VAL A 46 -1.211 2.441 5.936 1.00 0.34 C ATOM 0 H VAL A 46 -3.975 1.520 8.522 1.00 0.36 H new ATOM 0 HA VAL A 46 -4.177 2.657 5.948 1.00 0.32 H new ATOM 0 HB VAL A 46 -2.505 3.642 7.134 1.00 0.33 H new ATOM 0 HG11 VAL A 46 -0.913 2.495 8.613 1.00 0.34 H new ATOM 0 HG12 VAL A 46 -2.603 2.159 9.059 1.00 0.34 H new ATOM 0 HG13 VAL A 46 -1.652 0.934 8.185 1.00 0.34 H new ATOM 0 HG21 VAL A 46 -0.298 2.919 6.292 1.00 0.34 H new ATOM 0 HG22 VAL A 46 -1.019 1.384 5.752 1.00 0.34 H new ATOM 0 HG23 VAL A 46 -1.533 2.918 5.010 1.00 0.34 H new ATOM 711 N LYS A 47 -3.006 -0.414 6.111 1.00 0.41 N ATOM 712 CA LYS A 47 -2.737 -1.585 5.282 1.00 0.50 C ATOM 713 C LYS A 47 -3.961 -1.900 4.423 1.00 0.51 C ATOM 714 O LYS A 47 -3.839 -2.320 3.272 1.00 0.59 O ATOM 715 CB LYS A 47 -2.373 -2.798 6.140 1.00 0.63 C ATOM 716 CG LYS A 47 -1.835 -3.967 5.333 1.00 0.84 C ATOM 717 CD LYS A 47 -1.515 -5.159 6.218 1.00 1.45 C ATOM 718 CE LYS A 47 -2.773 -5.777 6.804 1.00 1.93 C ATOM 719 NZ LYS A 47 -2.460 -6.919 7.697 1.00 2.14 N ATOM 0 H LYS A 47 -2.953 -0.579 7.116 1.00 0.41 H new ATOM 0 HA LYS A 47 -1.887 -1.361 4.637 1.00 0.50 H new ATOM 0 HB2 LYS A 47 -1.627 -2.501 6.878 1.00 0.63 H new ATOM 0 HB3 LYS A 47 -3.256 -3.122 6.691 1.00 0.63 H new ATOM 0 HG2 LYS A 47 -2.568 -4.258 4.581 1.00 0.84 H new ATOM 0 HG3 LYS A 47 -0.936 -3.658 4.799 1.00 0.84 H new ATOM 0 HD2 LYS A 47 -0.977 -5.909 5.638 1.00 1.45 H new ATOM 0 HD3 LYS A 47 -0.853 -4.846 7.025 1.00 1.45 H new ATOM 0 HE2 LYS A 47 -3.324 -5.020 7.362 1.00 1.93 H new ATOM 0 HE3 LYS A 47 -3.423 -6.114 5.996 1.00 1.93 H new ATOM 0 HZ1 LYS A 47 -3.345 -7.357 8.024 1.00 2.14 H new ATOM 0 HZ2 LYS A 47 -1.897 -7.622 7.177 1.00 2.14 H new ATOM 0 HZ3 LYS A 47 -1.918 -6.580 8.517 1.00 2.14 H new ATOM 733 N GLN A 48 -5.140 -1.664 4.991 1.00 0.47 N ATOM 734 CA GLN A 48 -6.391 -1.829 4.262 1.00 0.52 C ATOM 735 C GLN A 48 -6.487 -0.767 3.176 1.00 0.48 C ATOM 736 O GLN A 48 -6.883 -1.047 2.043 1.00 0.54 O ATOM 737 CB GLN A 48 -7.579 -1.712 5.225 1.00 0.55 C ATOM 738 CG GLN A 48 -8.940 -1.935 4.580 1.00 0.85 C ATOM 739 CD GLN A 48 -9.090 -3.327 4.002 1.00 1.50 C ATOM 740 OE1 GLN A 48 -9.500 -4.260 4.693 1.00 2.23 O ATOM 741 NE2 GLN A 48 -8.796 -3.471 2.724 1.00 2.02 N ATOM 0 H GLN A 48 -5.254 -1.357 5.957 1.00 0.47 H new ATOM 0 HA GLN A 48 -6.414 -2.816 3.801 1.00 0.52 H new ATOM 0 HB2 GLN A 48 -7.450 -2.435 6.030 1.00 0.55 H new ATOM 0 HB3 GLN A 48 -7.565 -0.722 5.680 1.00 0.55 H new ATOM 0 HG2 GLN A 48 -9.721 -1.767 5.322 1.00 0.85 H new ATOM 0 HG3 GLN A 48 -9.088 -1.199 3.789 1.00 0.85 H new ATOM 0 HE21 GLN A 48 -8.459 -2.673 2.185 1.00 2.02 H new ATOM 0 HE22 GLN A 48 -8.906 -4.380 2.275 1.00 2.02 H new ATOM 750 N ALA A 49 -6.090 0.447 3.533 1.00 0.42 N ATOM 751 CA ALA A 49 -6.100 1.569 2.617 1.00 0.40 C ATOM 752 C ALA A 49 -5.181 1.307 1.431 1.00 0.39 C ATOM 753 O ALA A 49 -5.569 1.508 0.285 1.00 0.42 O ATOM 754 CB ALA A 49 -5.679 2.831 3.348 1.00 0.36 C ATOM 0 H ALA A 49 -5.752 0.677 4.468 1.00 0.42 H new ATOM 0 HA ALA A 49 -7.112 1.700 2.235 1.00 0.40 H new ATOM 0 HB1 ALA A 49 -5.688 3.673 2.655 1.00 0.36 H new ATOM 0 HB2 ALA A 49 -6.373 3.027 4.166 1.00 0.36 H new ATOM 0 HB3 ALA A 49 -4.674 2.701 3.749 1.00 0.36 H new ATOM 760 N LEU A 50 -3.969 0.835 1.716 1.00 0.38 N ATOM 761 CA LEU A 50 -2.987 0.555 0.669 1.00 0.39 C ATOM 762 C LEU A 50 -3.465 -0.544 -0.271 1.00 0.46 C ATOM 763 O LEU A 50 -3.087 -0.568 -1.441 1.00 0.49 O ATOM 764 CB LEU A 50 -1.626 0.164 1.257 1.00 0.39 C ATOM 765 CG LEU A 50 -0.630 1.312 1.454 1.00 0.33 C ATOM 766 CD1 LEU A 50 -0.370 2.035 0.141 1.00 0.31 C ATOM 767 CD2 LEU A 50 -1.119 2.286 2.509 1.00 0.29 C ATOM 0 H LEU A 50 -3.643 0.638 2.662 1.00 0.38 H new ATOM 0 HA LEU A 50 -2.872 1.479 0.102 1.00 0.39 H new ATOM 0 HB2 LEU A 50 -1.792 -0.317 2.221 1.00 0.39 H new ATOM 0 HB3 LEU A 50 -1.170 -0.580 0.604 1.00 0.39 H new ATOM 0 HG LEU A 50 0.309 0.880 1.801 1.00 0.33 H new ATOM 0 HD11 LEU A 50 0.340 2.845 0.306 1.00 0.31 H new ATOM 0 HD12 LEU A 50 0.042 1.334 -0.585 1.00 0.31 H new ATOM 0 HD13 LEU A 50 -1.305 2.444 -0.240 1.00 0.31 H new ATOM 0 HD21 LEU A 50 -0.392 3.090 2.627 1.00 0.29 H new ATOM 0 HD22 LEU A 50 -2.077 2.705 2.201 1.00 0.29 H new ATOM 0 HD23 LEU A 50 -1.240 1.764 3.458 1.00 0.29 H new ATOM 779 N ARG A 51 -4.295 -1.452 0.231 1.00 0.52 N ATOM 780 CA ARG A 51 -4.812 -2.530 -0.600 1.00 0.61 C ATOM 781 C ARG A 51 -5.707 -1.958 -1.694 1.00 0.62 C ATOM 782 O ARG A 51 -5.523 -2.249 -2.878 1.00 0.69 O ATOM 783 CB ARG A 51 -5.590 -3.553 0.232 1.00 0.67 C ATOM 784 CG ARG A 51 -5.864 -4.846 -0.521 1.00 0.98 C ATOM 785 CD ARG A 51 -6.786 -5.772 0.254 1.00 1.49 C ATOM 786 NE ARG A 51 -8.150 -5.251 0.326 1.00 2.00 N ATOM 787 CZ ARG A 51 -9.216 -5.993 0.622 1.00 2.89 C ATOM 788 NH1 ARG A 51 -9.084 -7.291 0.861 1.00 3.39 N ATOM 789 NH2 ARG A 51 -10.417 -5.435 0.676 1.00 3.74 N ATOM 0 H ARG A 51 -4.620 -1.463 1.198 1.00 0.52 H new ATOM 0 HA ARG A 51 -3.964 -3.043 -1.055 1.00 0.61 H new ATOM 0 HB2 ARG A 51 -5.028 -3.779 1.138 1.00 0.67 H new ATOM 0 HB3 ARG A 51 -6.537 -3.114 0.545 1.00 0.67 H new ATOM 0 HG2 ARG A 51 -6.312 -4.615 -1.488 1.00 0.98 H new ATOM 0 HG3 ARG A 51 -4.922 -5.356 -0.720 1.00 0.98 H new ATOM 0 HD2 ARG A 51 -6.797 -6.753 -0.221 1.00 1.49 H new ATOM 0 HD3 ARG A 51 -6.397 -5.910 1.263 1.00 1.49 H new ATOM 0 HE ARG A 51 -8.294 -4.259 0.138 1.00 2.00 H new ATOM 0 HH11 ARG A 51 -8.162 -7.726 0.819 1.00 3.39 H new ATOM 0 HH12 ARG A 51 -9.904 -7.854 1.087 1.00 3.39 H new ATOM 0 HH21 ARG A 51 -10.525 -4.438 0.491 1.00 3.74 H new ATOM 0 HH22 ARG A 51 -11.233 -6.003 0.903 1.00 3.74 H new ATOM 803 N GLU A 52 -6.659 -1.120 -1.293 1.00 0.59 N ATOM 804 CA GLU A 52 -7.546 -0.467 -2.250 1.00 0.62 C ATOM 805 C GLU A 52 -6.789 0.587 -3.043 1.00 0.59 C ATOM 806 O GLU A 52 -7.083 0.827 -4.215 1.00 0.65 O ATOM 807 CB GLU A 52 -8.750 0.180 -1.556 1.00 0.66 C ATOM 808 CG GLU A 52 -9.854 -0.796 -1.166 1.00 0.92 C ATOM 809 CD GLU A 52 -9.447 -1.757 -0.073 1.00 1.23 C ATOM 810 OE1 GLU A 52 -8.900 -2.832 -0.390 1.00 1.88 O ATOM 811 OE2 GLU A 52 -9.697 -1.449 1.107 1.00 1.45 O ATOM 0 H GLU A 52 -6.835 -0.878 -0.318 1.00 0.59 H new ATOM 0 HA GLU A 52 -7.915 -1.237 -2.927 1.00 0.62 H new ATOM 0 HB2 GLU A 52 -8.404 0.694 -0.660 1.00 0.66 H new ATOM 0 HB3 GLU A 52 -9.170 0.939 -2.217 1.00 0.66 H new ATOM 0 HG2 GLU A 52 -10.727 -0.233 -0.838 1.00 0.92 H new ATOM 0 HG3 GLU A 52 -10.154 -1.364 -2.046 1.00 0.92 H new ATOM 818 N ALA A 53 -5.818 1.215 -2.397 1.00 0.52 N ATOM 819 CA ALA A 53 -4.995 2.224 -3.037 1.00 0.49 C ATOM 820 C ALA A 53 -4.190 1.621 -4.176 1.00 0.52 C ATOM 821 O ALA A 53 -4.190 2.145 -5.288 1.00 0.53 O ATOM 822 CB ALA A 53 -4.072 2.865 -2.019 1.00 0.43 C ATOM 0 H ALA A 53 -5.581 1.039 -1.421 1.00 0.52 H new ATOM 0 HA ALA A 53 -5.649 2.991 -3.453 1.00 0.49 H new ATOM 0 HB1 ALA A 53 -3.458 3.621 -2.509 1.00 0.43 H new ATOM 0 HB2 ALA A 53 -4.666 3.333 -1.234 1.00 0.43 H new ATOM 0 HB3 ALA A 53 -3.428 2.103 -1.581 1.00 0.43 H new ATOM 828 N GLY A 54 -3.517 0.511 -3.889 1.00 0.57 N ATOM 829 CA GLY A 54 -2.713 -0.162 -4.892 1.00 0.64 C ATOM 830 C GLY A 54 -3.531 -0.570 -6.095 1.00 0.74 C ATOM 831 O GLY A 54 -3.104 -0.392 -7.231 1.00 0.82 O ATOM 0 H GLY A 54 -3.515 0.063 -2.973 1.00 0.57 H new ATOM 0 HA2 GLY A 54 -1.905 0.497 -5.210 1.00 0.64 H new ATOM 0 HA3 GLY A 54 -2.250 -1.045 -4.452 1.00 0.64 H new ATOM 835 N ASP A 55 -4.722 -1.090 -5.837 1.00 0.79 N ATOM 836 CA ASP A 55 -5.611 -1.530 -6.904 1.00 0.92 C ATOM 837 C ASP A 55 -6.135 -0.334 -7.693 1.00 0.88 C ATOM 838 O ASP A 55 -6.263 -0.386 -8.918 1.00 0.97 O ATOM 839 CB ASP A 55 -6.778 -2.336 -6.324 1.00 1.04 C ATOM 840 CG ASP A 55 -7.747 -2.806 -7.388 1.00 1.12 C ATOM 841 OD1 ASP A 55 -7.469 -3.837 -8.039 1.00 1.34 O ATOM 842 OD2 ASP A 55 -8.784 -2.139 -7.589 1.00 1.29 O ATOM 0 H ASP A 55 -5.096 -1.218 -4.897 1.00 0.79 H new ATOM 0 HA ASP A 55 -5.046 -2.169 -7.582 1.00 0.92 H new ATOM 0 HB2 ASP A 55 -6.387 -3.200 -5.787 1.00 1.04 H new ATOM 0 HB3 ASP A 55 -7.312 -1.724 -5.597 1.00 1.04 H new ATOM 847 N GLU A 56 -6.420 0.752 -6.981 1.00 0.79 N ATOM 848 CA GLU A 56 -6.928 1.967 -7.603 1.00 0.83 C ATOM 849 C GLU A 56 -5.846 2.613 -8.465 1.00 0.78 C ATOM 850 O GLU A 56 -6.087 2.961 -9.618 1.00 0.85 O ATOM 851 CB GLU A 56 -7.402 2.958 -6.531 1.00 0.83 C ATOM 852 CG GLU A 56 -8.171 4.149 -7.081 1.00 0.94 C ATOM 853 CD GLU A 56 -9.531 3.763 -7.624 1.00 1.27 C ATOM 854 OE1 GLU A 56 -10.405 3.372 -6.822 1.00 1.38 O ATOM 855 OE2 GLU A 56 -9.736 3.846 -8.851 1.00 2.06 O ATOM 0 H GLU A 56 -6.307 0.814 -5.969 1.00 0.79 H new ATOM 0 HA GLU A 56 -7.774 1.702 -8.237 1.00 0.83 H new ATOM 0 HB2 GLU A 56 -8.034 2.429 -5.817 1.00 0.83 H new ATOM 0 HB3 GLU A 56 -6.535 3.322 -5.980 1.00 0.83 H new ATOM 0 HG2 GLU A 56 -8.296 4.892 -6.293 1.00 0.94 H new ATOM 0 HG3 GLU A 56 -7.588 4.619 -7.873 1.00 0.94 H new ATOM 862 N PHE A 57 -4.645 2.743 -7.909 1.00 0.72 N ATOM 863 CA PHE A 57 -3.551 3.414 -8.600 1.00 0.76 C ATOM 864 C PHE A 57 -3.077 2.586 -9.790 1.00 0.82 C ATOM 865 O PHE A 57 -2.758 3.134 -10.848 1.00 0.90 O ATOM 866 CB PHE A 57 -2.385 3.678 -7.639 1.00 0.77 C ATOM 867 CG PHE A 57 -1.309 4.562 -8.215 1.00 0.94 C ATOM 868 CD1 PHE A 57 -1.392 5.941 -8.092 1.00 1.07 C ATOM 869 CD2 PHE A 57 -0.219 4.018 -8.879 1.00 1.05 C ATOM 870 CE1 PHE A 57 -0.411 6.759 -8.620 1.00 1.26 C ATOM 871 CE2 PHE A 57 0.765 4.833 -9.410 1.00 1.25 C ATOM 872 CZ PHE A 57 0.668 6.205 -9.280 1.00 1.34 C ATOM 0 H PHE A 57 -4.406 2.392 -6.982 1.00 0.72 H new ATOM 0 HA PHE A 57 -3.920 4.371 -8.969 1.00 0.76 H new ATOM 0 HB2 PHE A 57 -2.773 4.139 -6.730 1.00 0.77 H new ATOM 0 HB3 PHE A 57 -1.942 2.725 -7.349 1.00 0.77 H new ATOM 0 HD1 PHE A 57 -2.233 6.381 -7.577 1.00 1.07 H new ATOM 0 HD2 PHE A 57 -0.138 2.946 -8.983 1.00 1.05 H new ATOM 0 HE1 PHE A 57 -0.488 7.831 -8.516 1.00 1.26 H new ATOM 0 HE2 PHE A 57 1.608 4.397 -9.926 1.00 1.25 H new ATOM 0 HZ PHE A 57 1.435 6.843 -9.694 1.00 1.34 H new ATOM 882 N GLU A 58 -3.054 1.265 -9.624 1.00 0.83 N ATOM 883 CA GLU A 58 -2.573 0.382 -10.676 1.00 0.95 C ATOM 884 C GLU A 58 -3.520 0.423 -11.870 1.00 0.99 C ATOM 885 O GLU A 58 -3.085 0.532 -13.009 1.00 1.08 O ATOM 886 CB GLU A 58 -2.433 -1.059 -10.167 1.00 1.05 C ATOM 887 CG GLU A 58 -1.723 -1.985 -11.145 1.00 1.35 C ATOM 888 CD GLU A 58 -1.771 -3.435 -10.720 1.00 1.27 C ATOM 889 OE1 GLU A 58 -1.364 -3.744 -9.579 1.00 1.45 O ATOM 890 OE2 GLU A 58 -2.217 -4.276 -11.529 1.00 1.61 O ATOM 0 H GLU A 58 -3.361 0.788 -8.776 1.00 0.83 H new ATOM 0 HA GLU A 58 -1.588 0.731 -10.987 1.00 0.95 H new ATOM 0 HB2 GLU A 58 -1.885 -1.051 -9.225 1.00 1.05 H new ATOM 0 HB3 GLU A 58 -3.425 -1.459 -9.956 1.00 1.05 H new ATOM 0 HG2 GLU A 58 -2.179 -1.885 -12.130 1.00 1.35 H new ATOM 0 HG3 GLU A 58 -0.683 -1.674 -11.243 1.00 1.35 H new ATOM 897 N LEU A 59 -4.820 0.362 -11.605 1.00 0.98 N ATOM 898 CA LEU A 59 -5.807 0.403 -12.675 1.00 1.10 C ATOM 899 C LEU A 59 -5.850 1.790 -13.309 1.00 1.10 C ATOM 900 O LEU A 59 -6.247 1.950 -14.463 1.00 1.24 O ATOM 901 CB LEU A 59 -7.187 0.012 -12.143 1.00 1.19 C ATOM 902 CG LEU A 59 -8.303 -0.040 -13.190 1.00 1.36 C ATOM 903 CD1 LEU A 59 -7.967 -1.043 -14.283 1.00 1.59 C ATOM 904 CD2 LEU A 59 -9.630 -0.384 -12.536 1.00 1.56 C ATOM 0 H LEU A 59 -5.212 0.285 -10.666 1.00 0.98 H new ATOM 0 HA LEU A 59 -5.517 -0.316 -13.441 1.00 1.10 H new ATOM 0 HB2 LEU A 59 -7.111 -0.966 -11.668 1.00 1.19 H new ATOM 0 HB3 LEU A 59 -7.473 0.722 -11.367 1.00 1.19 H new ATOM 0 HG LEU A 59 -8.391 0.945 -13.648 1.00 1.36 H new ATOM 0 HD11 LEU A 59 -8.773 -1.065 -15.017 1.00 1.59 H new ATOM 0 HD12 LEU A 59 -7.038 -0.750 -14.772 1.00 1.59 H new ATOM 0 HD13 LEU A 59 -7.849 -2.034 -13.844 1.00 1.59 H new ATOM 0 HD21 LEU A 59 -10.412 -0.417 -13.295 1.00 1.56 H new ATOM 0 HD22 LEU A 59 -9.555 -1.357 -12.050 1.00 1.56 H new ATOM 0 HD23 LEU A 59 -9.877 0.374 -11.793 1.00 1.56 H new ATOM 916 N ARG A 60 -5.416 2.788 -12.552 1.00 1.00 N ATOM 917 CA ARG A 60 -5.383 4.161 -13.046 1.00 1.06 C ATOM 918 C ARG A 60 -4.219 4.364 -14.011 1.00 1.00 C ATOM 919 O ARG A 60 -4.419 4.773 -15.155 1.00 1.07 O ATOM 920 CB ARG A 60 -5.278 5.176 -11.893 1.00 1.10 C ATOM 921 CG ARG A 60 -6.611 5.562 -11.258 1.00 1.19 C ATOM 922 CD ARG A 60 -7.534 6.247 -12.254 1.00 1.31 C ATOM 923 NE ARG A 60 -6.933 7.448 -12.838 1.00 1.81 N ATOM 924 CZ ARG A 60 -7.384 8.040 -13.945 1.00 2.26 C ATOM 925 NH1 ARG A 60 -8.476 7.584 -14.546 1.00 2.15 N ATOM 926 NH2 ARG A 60 -6.757 9.105 -14.435 1.00 3.21 N ATOM 0 H ARG A 60 -5.082 2.675 -11.595 1.00 1.00 H new ATOM 0 HA ARG A 60 -6.321 4.333 -13.574 1.00 1.06 H new ATOM 0 HB2 ARG A 60 -4.630 4.762 -11.121 1.00 1.10 H new ATOM 0 HB3 ARG A 60 -4.794 6.079 -12.265 1.00 1.10 H new ATOM 0 HG2 ARG A 60 -7.098 4.670 -10.865 1.00 1.19 H new ATOM 0 HG3 ARG A 60 -6.432 6.226 -10.412 1.00 1.19 H new ATOM 0 HD2 ARG A 60 -7.788 5.547 -13.050 1.00 1.31 H new ATOM 0 HD3 ARG A 60 -8.466 6.516 -11.756 1.00 1.31 H new ATOM 0 HE ARG A 60 -6.123 7.855 -12.371 1.00 1.81 H new ATOM 0 HH11 ARG A 60 -8.972 6.780 -14.161 1.00 2.15 H new ATOM 0 HH12 ARG A 60 -8.820 8.038 -15.392 1.00 2.15 H new ATOM 0 HH21 ARG A 60 -5.929 9.471 -13.964 1.00 3.21 H new ATOM 0 HH22 ARG A 60 -7.104 9.556 -15.282 1.00 3.21 H new ATOM 940 N TYR A 61 -3.005 4.084 -13.550 1.00 0.91 N ATOM 941 CA TYR A 61 -1.811 4.345 -14.345 1.00 0.90 C ATOM 942 C TYR A 61 -0.892 3.130 -14.361 1.00 0.84 C ATOM 943 O TYR A 61 0.245 3.193 -13.890 1.00 0.83 O ATOM 944 CB TYR A 61 -1.062 5.571 -13.804 1.00 0.96 C ATOM 945 CG TYR A 61 -1.918 6.818 -13.739 1.00 1.05 C ATOM 946 CD1 TYR A 61 -2.331 7.462 -14.900 1.00 1.27 C ATOM 947 CD2 TYR A 61 -2.325 7.342 -12.518 1.00 1.04 C ATOM 948 CE1 TYR A 61 -3.127 8.589 -14.844 1.00 1.38 C ATOM 949 CE2 TYR A 61 -3.118 8.472 -12.456 1.00 1.14 C ATOM 950 CZ TYR A 61 -3.517 9.089 -13.622 1.00 1.27 C ATOM 951 OH TYR A 61 -4.317 10.206 -13.565 1.00 1.41 O ATOM 0 H TYR A 61 -2.822 3.677 -12.633 1.00 0.91 H new ATOM 0 HA TYR A 61 -2.125 4.550 -15.368 1.00 0.90 H new ATOM 0 HB2 TYR A 61 -0.685 5.346 -12.807 1.00 0.96 H new ATOM 0 HB3 TYR A 61 -0.196 5.766 -14.436 1.00 0.96 H new ATOM 0 HD1 TYR A 61 -2.024 7.075 -15.860 1.00 1.27 H new ATOM 0 HD2 TYR A 61 -2.017 6.858 -11.603 1.00 1.04 H new ATOM 0 HE1 TYR A 61 -3.442 9.076 -15.755 1.00 1.38 H new ATOM 0 HE2 TYR A 61 -3.423 8.869 -11.499 1.00 1.14 H new ATOM 0 HH TYR A 61 -4.502 10.428 -12.629 1.00 1.41 H new ATOM 961 N ARG A 62 -1.380 2.017 -14.894 1.00 0.86 N ATOM 962 CA ARG A 62 -0.591 0.791 -14.915 1.00 0.85 C ATOM 963 C ARG A 62 0.560 0.918 -15.903 1.00 0.87 C ATOM 964 O ARG A 62 1.590 0.265 -15.754 1.00 0.85 O ATOM 965 CB ARG A 62 -1.455 -0.426 -15.262 1.00 0.95 C ATOM 966 CG ARG A 62 -0.915 -1.725 -14.680 1.00 1.04 C ATOM 967 CD ARG A 62 -1.816 -2.907 -14.992 1.00 1.23 C ATOM 968 NE ARG A 62 -1.444 -4.093 -14.220 1.00 1.73 N ATOM 969 CZ ARG A 62 -0.783 -5.132 -14.724 1.00 2.16 C ATOM 970 NH1 ARG A 62 -0.371 -5.112 -15.986 1.00 2.24 N ATOM 971 NH2 ARG A 62 -0.514 -6.182 -13.959 1.00 3.02 N ATOM 0 H ARG A 62 -2.307 1.937 -15.313 1.00 0.86 H new ATOM 0 HA ARG A 62 -0.186 0.640 -13.914 1.00 0.85 H new ATOM 0 HB2 ARG A 62 -2.468 -0.263 -14.893 1.00 0.95 H new ATOM 0 HB3 ARG A 62 -1.522 -0.520 -16.346 1.00 0.95 H new ATOM 0 HG2 ARG A 62 0.082 -1.914 -15.079 1.00 1.04 H new ATOM 0 HG3 ARG A 62 -0.812 -1.623 -13.600 1.00 1.04 H new ATOM 0 HD2 ARG A 62 -2.851 -2.642 -14.775 1.00 1.23 H new ATOM 0 HD3 ARG A 62 -1.761 -3.135 -16.057 1.00 1.23 H new ATOM 0 HE ARG A 62 -1.708 -4.125 -13.235 1.00 1.73 H new ATOM 0 HH11 ARG A 62 -0.561 -4.299 -16.572 1.00 2.24 H new ATOM 0 HH12 ARG A 62 0.136 -5.910 -16.370 1.00 2.24 H new ATOM 0 HH21 ARG A 62 -0.814 -6.193 -12.984 1.00 3.02 H new ATOM 0 HH22 ARG A 62 -0.007 -6.978 -14.346 1.00 3.02 H new ATOM 985 N ARG A 63 0.387 1.777 -16.903 1.00 0.94 N ATOM 986 CA ARG A 63 1.452 2.057 -17.860 1.00 1.01 C ATOM 987 C ARG A 63 2.632 2.720 -17.151 1.00 0.95 C ATOM 988 O ARG A 63 3.784 2.579 -17.568 1.00 0.99 O ATOM 989 CB ARG A 63 0.933 2.948 -18.995 1.00 1.16 C ATOM 990 CG ARG A 63 1.941 3.173 -20.117 1.00 1.70 C ATOM 991 CD ARG A 63 2.410 1.861 -20.734 1.00 2.14 C ATOM 992 NE ARG A 63 1.297 1.033 -21.197 1.00 2.71 N ATOM 993 CZ ARG A 63 1.427 0.020 -22.052 1.00 3.58 C ATOM 994 NH1 ARG A 63 2.610 -0.262 -22.586 1.00 3.92 N ATOM 995 NH2 ARG A 63 0.365 -0.706 -22.378 1.00 4.52 N ATOM 0 H ARG A 63 -0.478 2.290 -17.071 1.00 0.94 H new ATOM 0 HA ARG A 63 1.791 1.116 -18.294 1.00 1.01 H new ATOM 0 HB2 ARG A 63 0.033 2.498 -19.414 1.00 1.16 H new ATOM 0 HB3 ARG A 63 0.643 3.914 -18.581 1.00 1.16 H new ATOM 0 HG2 ARG A 63 1.491 3.796 -20.889 1.00 1.70 H new ATOM 0 HG3 ARG A 63 2.801 3.719 -19.728 1.00 1.70 H new ATOM 0 HD2 ARG A 63 3.074 2.074 -21.572 1.00 2.14 H new ATOM 0 HD3 ARG A 63 2.992 1.305 -19.999 1.00 2.14 H new ATOM 0 HE ARG A 63 0.364 1.244 -20.843 1.00 2.71 H new ATOM 0 HH11 ARG A 63 3.426 0.299 -22.342 1.00 3.92 H new ATOM 0 HH12 ARG A 63 2.702 -1.039 -23.240 1.00 3.92 H new ATOM 0 HH21 ARG A 63 -0.546 -0.487 -21.974 1.00 4.52 H new ATOM 0 HH22 ARG A 63 0.460 -1.483 -23.032 1.00 4.52 H new ATOM 1009 N ALA A 64 2.342 3.441 -16.073 1.00 0.90 N ATOM 1010 CA ALA A 64 3.390 4.004 -15.237 1.00 0.89 C ATOM 1011 C ALA A 64 4.000 2.909 -14.374 1.00 0.75 C ATOM 1012 O ALA A 64 5.217 2.832 -14.217 1.00 0.73 O ATOM 1013 CB ALA A 64 2.842 5.125 -14.370 1.00 0.94 C ATOM 0 H ALA A 64 1.393 3.647 -15.761 1.00 0.90 H new ATOM 0 HA ALA A 64 4.165 4.424 -15.878 1.00 0.89 H new ATOM 0 HB1 ALA A 64 3.643 5.532 -13.753 1.00 0.94 H new ATOM 0 HB2 ALA A 64 2.438 5.913 -15.006 1.00 0.94 H new ATOM 0 HB3 ALA A 64 2.051 4.736 -13.729 1.00 0.94 H new ATOM 1019 N PHE A 65 3.137 2.052 -13.841 1.00 0.69 N ATOM 1020 CA PHE A 65 3.567 0.933 -13.009 1.00 0.61 C ATOM 1021 C PHE A 65 4.545 0.033 -13.769 1.00 0.59 C ATOM 1022 O PHE A 65 5.574 -0.369 -13.228 1.00 0.59 O ATOM 1023 CB PHE A 65 2.349 0.121 -12.542 1.00 0.62 C ATOM 1024 CG PHE A 65 2.682 -0.975 -11.565 1.00 0.59 C ATOM 1025 CD1 PHE A 65 2.990 -0.676 -10.247 1.00 0.60 C ATOM 1026 CD2 PHE A 65 2.696 -2.302 -11.969 1.00 0.64 C ATOM 1027 CE1 PHE A 65 3.303 -1.678 -9.350 1.00 0.64 C ATOM 1028 CE2 PHE A 65 3.010 -3.308 -11.076 1.00 0.68 C ATOM 1029 CZ PHE A 65 3.278 -3.003 -9.759 1.00 0.66 C ATOM 0 H PHE A 65 2.127 2.111 -13.971 1.00 0.69 H new ATOM 0 HA PHE A 65 4.081 1.333 -12.135 1.00 0.61 H new ATOM 0 HB2 PHE A 65 1.629 0.798 -12.082 1.00 0.62 H new ATOM 0 HB3 PHE A 65 1.862 -0.318 -13.413 1.00 0.62 H new ATOM 0 HD1 PHE A 65 2.985 0.353 -9.918 1.00 0.60 H new ATOM 0 HD2 PHE A 65 2.459 -2.551 -12.993 1.00 0.64 H new ATOM 0 HE1 PHE A 65 3.567 -1.431 -8.332 1.00 0.64 H new ATOM 0 HE2 PHE A 65 3.046 -4.334 -11.410 1.00 0.68 H new ATOM 0 HZ PHE A 65 3.468 -3.793 -9.048 1.00 0.66 H new ATOM 1039 N SER A 66 4.223 -0.264 -15.024 1.00 0.64 N ATOM 1040 CA SER A 66 5.073 -1.107 -15.863 1.00 0.68 C ATOM 1041 C SER A 66 6.456 -0.480 -16.064 1.00 0.66 C ATOM 1042 O SER A 66 7.465 -1.184 -16.104 1.00 0.68 O ATOM 1043 CB SER A 66 4.400 -1.342 -17.219 1.00 0.83 C ATOM 1044 OG SER A 66 3.082 -1.839 -17.054 1.00 1.20 O ATOM 0 H SER A 66 3.376 0.068 -15.486 1.00 0.64 H new ATOM 0 HA SER A 66 5.208 -2.062 -15.355 1.00 0.68 H new ATOM 0 HB2 SER A 66 4.373 -0.409 -17.782 1.00 0.83 H new ATOM 0 HB3 SER A 66 4.989 -2.049 -17.803 1.00 0.83 H new ATOM 0 HG SER A 66 2.499 -1.120 -16.731 1.00 1.20 H new ATOM 1050 N ASP A 67 6.497 0.841 -16.166 1.00 0.68 N ATOM 1051 CA ASP A 67 7.754 1.553 -16.403 1.00 0.73 C ATOM 1052 C ASP A 67 8.573 1.662 -15.117 1.00 0.65 C ATOM 1053 O ASP A 67 9.778 1.408 -15.109 1.00 0.66 O ATOM 1054 CB ASP A 67 7.474 2.954 -16.961 1.00 0.89 C ATOM 1055 CG ASP A 67 8.732 3.672 -17.418 1.00 1.36 C ATOM 1056 OD1 ASP A 67 9.445 4.231 -16.557 1.00 2.06 O ATOM 1057 OD2 ASP A 67 9.027 3.666 -18.629 1.00 1.41 O ATOM 0 H ASP A 67 5.678 1.444 -16.089 1.00 0.68 H new ATOM 0 HA ASP A 67 8.331 0.984 -17.133 1.00 0.73 H new ATOM 0 HB2 ASP A 67 6.783 2.874 -17.800 1.00 0.89 H new ATOM 0 HB3 ASP A 67 6.979 3.552 -16.196 1.00 0.89 H new ATOM 1062 N LEU A 68 7.906 2.018 -14.026 1.00 0.63 N ATOM 1063 CA LEU A 68 8.577 2.267 -12.756 1.00 0.66 C ATOM 1064 C LEU A 68 9.097 0.977 -12.120 1.00 0.57 C ATOM 1065 O LEU A 68 10.099 0.995 -11.404 1.00 0.63 O ATOM 1066 CB LEU A 68 7.628 2.991 -11.800 1.00 0.75 C ATOM 1067 CG LEU A 68 7.197 4.393 -12.244 1.00 0.81 C ATOM 1068 CD1 LEU A 68 6.204 4.990 -11.261 1.00 1.64 C ATOM 1069 CD2 LEU A 68 8.407 5.302 -12.388 1.00 1.07 C ATOM 0 H LEU A 68 6.894 2.141 -13.996 1.00 0.63 H new ATOM 0 HA LEU A 68 9.443 2.899 -12.954 1.00 0.66 H new ATOM 0 HB2 LEU A 68 6.736 2.379 -11.667 1.00 0.75 H new ATOM 0 HB3 LEU A 68 8.109 3.068 -10.825 1.00 0.75 H new ATOM 0 HG LEU A 68 6.709 4.305 -13.215 1.00 0.81 H new ATOM 0 HD11 LEU A 68 5.913 5.985 -11.597 1.00 1.64 H new ATOM 0 HD12 LEU A 68 5.321 4.353 -11.204 1.00 1.64 H new ATOM 0 HD13 LEU A 68 6.665 5.060 -10.276 1.00 1.64 H new ATOM 0 HD21 LEU A 68 8.082 6.293 -12.704 1.00 1.07 H new ATOM 0 HD22 LEU A 68 8.922 5.377 -11.430 1.00 1.07 H new ATOM 0 HD23 LEU A 68 9.086 4.888 -13.133 1.00 1.07 H new ATOM 1081 N THR A 69 8.432 -0.142 -12.391 1.00 0.49 N ATOM 1082 CA THR A 69 8.860 -1.430 -11.849 1.00 0.49 C ATOM 1083 C THR A 69 10.219 -1.835 -12.407 1.00 0.46 C ATOM 1084 O THR A 69 11.113 -2.229 -11.658 1.00 0.51 O ATOM 1085 CB THR A 69 7.832 -2.536 -12.145 1.00 0.51 C ATOM 1086 OG1 THR A 69 7.293 -2.367 -13.461 1.00 0.71 O ATOM 1087 CG2 THR A 69 6.711 -2.520 -11.121 1.00 0.63 C ATOM 0 H THR A 69 7.600 -0.185 -12.979 1.00 0.49 H new ATOM 0 HA THR A 69 8.940 -1.310 -10.769 1.00 0.49 H new ATOM 0 HB THR A 69 8.339 -3.499 -12.086 1.00 0.51 H new ATOM 0 HG1 THR A 69 6.434 -1.899 -13.405 1.00 0.71 H new ATOM 0 HG21 THR A 69 5.997 -3.311 -11.351 1.00 0.63 H new ATOM 0 HG22 THR A 69 7.125 -2.683 -10.126 1.00 0.63 H new ATOM 0 HG23 THR A 69 6.206 -1.555 -11.150 1.00 0.63 H new ATOM 1095 N SER A 70 10.375 -1.726 -13.719 1.00 0.46 N ATOM 1096 CA SER A 70 11.634 -2.064 -14.360 1.00 0.49 C ATOM 1097 C SER A 70 12.706 -1.032 -14.020 1.00 0.48 C ATOM 1098 O SER A 70 13.897 -1.326 -14.049 1.00 0.53 O ATOM 1099 CB SER A 70 11.437 -2.172 -15.873 1.00 0.57 C ATOM 1100 OG SER A 70 10.603 -1.130 -16.351 1.00 1.31 O ATOM 0 H SER A 70 9.646 -1.407 -14.357 1.00 0.46 H new ATOM 0 HA SER A 70 11.972 -3.030 -13.985 1.00 0.49 H new ATOM 0 HB2 SER A 70 12.404 -2.127 -16.374 1.00 0.57 H new ATOM 0 HB3 SER A 70 10.995 -3.138 -16.118 1.00 0.57 H new ATOM 0 HG SER A 70 10.665 -0.359 -15.749 1.00 1.31 H new ATOM 1106 N GLN A 71 12.272 0.174 -13.677 1.00 0.49 N ATOM 1107 CA GLN A 71 13.187 1.230 -13.264 1.00 0.53 C ATOM 1108 C GLN A 71 13.789 0.899 -11.903 1.00 0.46 C ATOM 1109 O GLN A 71 14.947 1.209 -11.620 1.00 0.53 O ATOM 1110 CB GLN A 71 12.441 2.564 -13.197 1.00 0.63 C ATOM 1111 CG GLN A 71 13.326 3.754 -12.877 1.00 0.69 C ATOM 1112 CD GLN A 71 12.532 5.044 -12.765 1.00 0.83 C ATOM 1113 OE1 GLN A 71 12.324 5.741 -13.758 1.00 1.22 O ATOM 1114 NE2 GLN A 71 12.084 5.373 -11.559 1.00 0.82 N ATOM 0 H GLN A 71 11.289 0.446 -13.677 1.00 0.49 H new ATOM 0 HA GLN A 71 13.993 1.308 -13.994 1.00 0.53 H new ATOM 0 HB2 GLN A 71 11.946 2.739 -14.152 1.00 0.63 H new ATOM 0 HB3 GLN A 71 11.659 2.493 -12.441 1.00 0.63 H new ATOM 0 HG2 GLN A 71 13.854 3.571 -11.941 1.00 0.69 H new ATOM 0 HG3 GLN A 71 14.083 3.861 -13.654 1.00 0.69 H new ATOM 0 HE21 GLN A 71 12.278 4.768 -10.761 1.00 0.82 H new ATOM 0 HE22 GLN A 71 11.546 6.230 -11.431 1.00 0.82 H new ATOM 1123 N LEU A 72 12.990 0.244 -11.074 1.00 0.39 N ATOM 1124 CA LEU A 72 13.408 -0.133 -9.731 1.00 0.33 C ATOM 1125 C LEU A 72 13.841 -1.599 -9.712 1.00 0.34 C ATOM 1126 O LEU A 72 13.904 -2.226 -8.656 1.00 0.37 O ATOM 1127 CB LEU A 72 12.254 0.116 -8.744 1.00 0.37 C ATOM 1128 CG LEU A 72 12.585 -0.062 -7.258 1.00 0.46 C ATOM 1129 CD1 LEU A 72 13.823 0.732 -6.879 1.00 0.96 C ATOM 1130 CD2 LEU A 72 11.401 0.364 -6.407 1.00 0.92 C ATOM 0 H LEU A 72 12.039 -0.040 -11.311 1.00 0.39 H new ATOM 0 HA LEU A 72 14.260 0.475 -9.428 1.00 0.33 H new ATOM 0 HB2 LEU A 72 11.888 1.132 -8.894 1.00 0.37 H new ATOM 0 HB3 LEU A 72 11.436 -0.559 -8.996 1.00 0.37 H new ATOM 0 HG LEU A 72 12.792 -1.116 -7.075 1.00 0.46 H new ATOM 0 HD11 LEU A 72 14.037 0.589 -5.820 1.00 0.96 H new ATOM 0 HD12 LEU A 72 14.671 0.387 -7.470 1.00 0.96 H new ATOM 0 HD13 LEU A 72 13.651 1.790 -7.075 1.00 0.96 H new ATOM 0 HD21 LEU A 72 11.645 0.234 -5.353 1.00 0.92 H new ATOM 0 HD22 LEU A 72 11.173 1.412 -6.600 1.00 0.92 H new ATOM 0 HD23 LEU A 72 10.534 -0.248 -6.657 1.00 0.92 H new ATOM 1142 N HIS A 73 14.157 -2.122 -10.897 1.00 0.41 N ATOM 1143 CA HIS A 73 14.591 -3.513 -11.061 1.00 0.46 C ATOM 1144 C HIS A 73 15.677 -3.883 -10.051 1.00 0.41 C ATOM 1145 O HIS A 73 16.729 -3.238 -9.983 1.00 0.45 O ATOM 1146 CB HIS A 73 15.096 -3.759 -12.499 1.00 0.60 C ATOM 1147 CG HIS A 73 16.302 -2.946 -12.900 1.00 1.34 C ATOM 1148 ND1 HIS A 73 17.359 -3.469 -13.615 1.00 2.07 N ATOM 1149 CD2 HIS A 73 16.604 -1.637 -12.702 1.00 2.33 C ATOM 1150 CE1 HIS A 73 18.253 -2.523 -13.836 1.00 2.86 C ATOM 1151 NE2 HIS A 73 17.818 -1.404 -13.293 1.00 3.01 N ATOM 0 H HIS A 73 14.120 -1.596 -11.770 1.00 0.41 H new ATOM 0 HA HIS A 73 13.727 -4.151 -10.876 1.00 0.46 H new ATOM 0 HB2 HIS A 73 15.337 -4.816 -12.607 1.00 0.60 H new ATOM 0 HB3 HIS A 73 14.285 -3.544 -13.194 1.00 0.60 H new ATOM 0 HD2 HIS A 73 15.999 -0.913 -12.176 1.00 2.33 H new ATOM 0 HE1 HIS A 73 19.183 -2.646 -14.371 1.00 2.86 H new ATOM 0 HE2 HIS A 73 18.306 -0.509 -13.310 1.00 3.01 H new ATOM 1160 N ILE A 74 15.413 -4.905 -9.253 1.00 0.37 N ATOM 1161 CA ILE A 74 16.368 -5.340 -8.254 1.00 0.36 C ATOM 1162 C ILE A 74 17.335 -6.355 -8.864 1.00 0.45 C ATOM 1163 O ILE A 74 16.925 -7.388 -9.400 1.00 0.61 O ATOM 1164 CB ILE A 74 15.655 -5.923 -7.005 1.00 0.31 C ATOM 1165 CG1 ILE A 74 16.664 -6.211 -5.893 1.00 0.31 C ATOM 1166 CG2 ILE A 74 14.872 -7.184 -7.348 1.00 0.35 C ATOM 1167 CD1 ILE A 74 16.019 -6.606 -4.586 1.00 0.34 C ATOM 0 H ILE A 74 14.548 -5.445 -9.279 1.00 0.37 H new ATOM 0 HA ILE A 74 16.938 -4.473 -7.921 1.00 0.36 H new ATOM 0 HB ILE A 74 14.947 -5.174 -6.651 1.00 0.31 H new ATOM 0 HG12 ILE A 74 17.332 -7.010 -6.216 1.00 0.31 H new ATOM 0 HG13 ILE A 74 17.280 -5.326 -5.733 1.00 0.31 H new ATOM 0 HG21 ILE A 74 14.385 -7.566 -6.450 1.00 0.35 H new ATOM 0 HG22 ILE A 74 14.117 -6.951 -8.099 1.00 0.35 H new ATOM 0 HG23 ILE A 74 15.553 -7.939 -7.741 1.00 0.35 H new ATOM 0 HD11 ILE A 74 16.792 -6.796 -3.841 1.00 0.34 H new ATOM 0 HD12 ILE A 74 15.373 -5.799 -4.241 1.00 0.34 H new ATOM 0 HD13 ILE A 74 15.426 -7.509 -4.731 1.00 0.34 H new ATOM 1179 N THR A 75 18.615 -6.021 -8.843 1.00 0.61 N ATOM 1180 CA THR A 75 19.641 -6.887 -9.391 1.00 0.73 C ATOM 1181 C THR A 75 20.572 -7.373 -8.283 1.00 0.58 C ATOM 1182 O THR A 75 20.618 -6.774 -7.205 1.00 0.57 O ATOM 1183 CB THR A 75 20.458 -6.148 -10.472 1.00 1.02 C ATOM 1184 OG1 THR A 75 20.935 -4.896 -9.958 1.00 1.38 O ATOM 1185 CG2 THR A 75 19.620 -5.895 -11.714 1.00 1.56 C ATOM 0 H THR A 75 18.968 -5.149 -8.449 1.00 0.61 H new ATOM 0 HA THR A 75 19.151 -7.747 -9.849 1.00 0.73 H new ATOM 0 HB THR A 75 21.303 -6.780 -10.744 1.00 1.02 H new ATOM 0 HG1 THR A 75 21.454 -4.435 -10.650 1.00 1.38 H new ATOM 0 HG21 THR A 75 20.221 -5.373 -12.458 1.00 1.56 H new ATOM 0 HG22 THR A 75 19.280 -6.846 -12.124 1.00 1.56 H new ATOM 0 HG23 THR A 75 18.756 -5.284 -11.452 1.00 1.56 H new ATOM 1193 N PRO A 76 21.314 -8.469 -8.519 1.00 0.66 N ATOM 1194 CA PRO A 76 22.272 -8.996 -7.544 1.00 0.73 C ATOM 1195 C PRO A 76 23.290 -7.943 -7.113 1.00 0.72 C ATOM 1196 O PRO A 76 24.152 -7.537 -7.894 1.00 0.81 O ATOM 1197 CB PRO A 76 22.971 -10.144 -8.290 1.00 0.93 C ATOM 1198 CG PRO A 76 22.610 -9.967 -9.726 1.00 1.06 C ATOM 1199 CD PRO A 76 21.273 -9.289 -9.737 1.00 0.90 C ATOM 0 HA PRO A 76 21.778 -9.316 -6.626 1.00 0.73 H new ATOM 0 HB2 PRO A 76 24.051 -10.103 -8.149 1.00 0.93 H new ATOM 0 HB3 PRO A 76 22.638 -11.113 -7.919 1.00 0.93 H new ATOM 0 HG2 PRO A 76 23.357 -9.365 -10.244 1.00 1.06 H new ATOM 0 HG3 PRO A 76 22.564 -10.928 -10.238 1.00 1.06 H new ATOM 0 HD2 PRO A 76 21.136 -8.680 -10.630 1.00 0.90 H new ATOM 0 HD3 PRO A 76 20.454 -10.008 -9.713 1.00 0.90 H new ATOM 1207 N GLY A 77 23.162 -7.478 -5.877 1.00 0.86 N ATOM 1208 CA GLY A 77 24.078 -6.480 -5.365 1.00 1.10 C ATOM 1209 C GLY A 77 23.434 -5.118 -5.200 1.00 1.00 C ATOM 1210 O GLY A 77 24.102 -4.150 -4.841 1.00 1.32 O ATOM 0 H GLY A 77 22.440 -7.775 -5.221 1.00 0.86 H new ATOM 0 HA2 GLY A 77 24.467 -6.811 -4.402 1.00 1.10 H new ATOM 0 HA3 GLY A 77 24.929 -6.395 -6.041 1.00 1.10 H new ATOM 1214 N THR A 78 22.140 -5.034 -5.480 1.00 0.85 N ATOM 1215 CA THR A 78 21.396 -3.802 -5.259 1.00 0.82 C ATOM 1216 C THR A 78 21.298 -3.511 -3.765 1.00 0.85 C ATOM 1217 O THR A 78 20.851 -4.355 -2.989 1.00 1.52 O ATOM 1218 CB THR A 78 19.977 -3.884 -5.856 1.00 0.90 C ATOM 1219 OG1 THR A 78 20.056 -4.159 -7.260 1.00 1.52 O ATOM 1220 CG2 THR A 78 19.214 -2.586 -5.638 1.00 1.15 C ATOM 0 H THR A 78 21.586 -5.802 -5.859 1.00 0.85 H new ATOM 0 HA THR A 78 21.934 -2.997 -5.759 1.00 0.82 H new ATOM 0 HB THR A 78 19.443 -4.688 -5.350 1.00 0.90 H new ATOM 0 HG1 THR A 78 20.547 -4.995 -7.402 1.00 1.52 H new ATOM 0 HG21 THR A 78 18.217 -2.673 -6.069 1.00 1.15 H new ATOM 0 HG22 THR A 78 19.131 -2.388 -4.569 1.00 1.15 H new ATOM 0 HG23 THR A 78 19.747 -1.766 -6.119 1.00 1.15 H new ATOM 1228 N ALA A 79 21.758 -2.336 -3.365 1.00 0.68 N ATOM 1229 CA ALA A 79 21.688 -1.922 -1.974 1.00 0.73 C ATOM 1230 C ALA A 79 20.644 -0.822 -1.798 1.00 0.62 C ATOM 1231 O ALA A 79 20.069 -0.344 -2.782 1.00 0.56 O ATOM 1232 CB ALA A 79 23.055 -1.451 -1.504 1.00 0.85 C ATOM 0 H ALA A 79 22.185 -1.650 -3.987 1.00 0.68 H new ATOM 0 HA ALA A 79 21.387 -2.774 -1.365 1.00 0.73 H new ATOM 0 HB1 ALA A 79 22.994 -1.142 -0.460 1.00 0.85 H new ATOM 0 HB2 ALA A 79 23.773 -2.265 -1.601 1.00 0.85 H new ATOM 0 HB3 ALA A 79 23.379 -0.607 -2.114 1.00 0.85 H new ATOM 1238 N TYR A 80 20.404 -0.416 -0.550 1.00 0.63 N ATOM 1239 CA TYR A 80 19.434 0.641 -0.259 1.00 0.58 C ATOM 1240 C TYR A 80 19.840 1.950 -0.931 1.00 0.50 C ATOM 1241 O TYR A 80 18.985 2.748 -1.309 1.00 0.46 O ATOM 1242 CB TYR A 80 19.279 0.851 1.255 1.00 0.67 C ATOM 1243 CG TYR A 80 18.381 2.020 1.613 1.00 0.80 C ATOM 1244 CD1 TYR A 80 17.011 1.973 1.376 1.00 0.89 C ATOM 1245 CD2 TYR A 80 18.909 3.181 2.170 1.00 1.14 C ATOM 1246 CE1 TYR A 80 16.195 3.046 1.685 1.00 1.24 C ATOM 1247 CE2 TYR A 80 18.100 4.256 2.478 1.00 1.55 C ATOM 1248 CZ TYR A 80 16.746 4.185 2.234 1.00 1.58 C ATOM 1249 OH TYR A 80 15.941 5.261 2.533 1.00 2.03 O ATOM 0 H TYR A 80 20.866 -0.802 0.273 1.00 0.63 H new ATOM 0 HA TYR A 80 18.472 0.325 -0.662 1.00 0.58 H new ATOM 0 HB2 TYR A 80 18.875 -0.058 1.701 1.00 0.67 H new ATOM 0 HB3 TYR A 80 20.263 1.011 1.695 1.00 0.67 H new ATOM 0 HD1 TYR A 80 16.577 1.084 0.943 1.00 0.89 H new ATOM 0 HD2 TYR A 80 19.970 3.242 2.364 1.00 1.14 H new ATOM 0 HE1 TYR A 80 15.133 2.992 1.498 1.00 1.24 H new ATOM 0 HE2 TYR A 80 18.527 5.150 2.909 1.00 1.55 H new ATOM 0 HH TYR A 80 16.441 6.092 2.394 1.00 2.03 H new ATOM 1259 N GLN A 81 21.142 2.162 -1.085 1.00 0.56 N ATOM 1260 CA GLN A 81 21.651 3.354 -1.749 1.00 0.59 C ATOM 1261 C GLN A 81 21.063 3.479 -3.154 1.00 0.54 C ATOM 1262 O GLN A 81 20.616 4.552 -3.561 1.00 0.63 O ATOM 1263 CB GLN A 81 23.179 3.305 -1.824 1.00 0.72 C ATOM 1264 CG GLN A 81 23.807 4.571 -2.382 1.00 0.84 C ATOM 1265 CD GLN A 81 25.279 4.398 -2.698 1.00 1.40 C ATOM 1266 OE1 GLN A 81 25.640 4.051 -3.821 1.00 2.01 O ATOM 1267 NE2 GLN A 81 26.137 4.612 -1.715 1.00 2.18 N ATOM 0 H GLN A 81 21.865 1.521 -0.758 1.00 0.56 H new ATOM 0 HA GLN A 81 21.352 4.226 -1.168 1.00 0.59 H new ATOM 0 HB2 GLN A 81 23.577 3.123 -0.826 1.00 0.72 H new ATOM 0 HB3 GLN A 81 23.476 2.459 -2.444 1.00 0.72 H new ATOM 0 HG2 GLN A 81 23.277 4.867 -3.287 1.00 0.84 H new ATOM 0 HG3 GLN A 81 23.686 5.381 -1.662 1.00 0.84 H new ATOM 0 HE21 GLN A 81 25.799 4.899 -0.796 1.00 2.18 H new ATOM 0 HE22 GLN A 81 27.137 4.490 -1.875 1.00 2.18 H new ATOM 1276 N SER A 82 21.053 2.370 -3.884 1.00 0.48 N ATOM 1277 CA SER A 82 20.493 2.347 -5.228 1.00 0.47 C ATOM 1278 C SER A 82 18.969 2.428 -5.163 1.00 0.40 C ATOM 1279 O SER A 82 18.339 3.146 -5.940 1.00 0.42 O ATOM 1280 CB SER A 82 20.930 1.076 -5.966 1.00 0.55 C ATOM 1281 OG SER A 82 20.524 1.101 -7.326 1.00 1.17 O ATOM 0 H SER A 82 21.427 1.475 -3.567 1.00 0.48 H new ATOM 0 HA SER A 82 20.866 3.211 -5.778 1.00 0.47 H new ATOM 0 HB2 SER A 82 22.014 0.976 -5.910 1.00 0.55 H new ATOM 0 HB3 SER A 82 20.503 0.202 -5.473 1.00 0.55 H new ATOM 0 HG SER A 82 20.818 0.279 -7.770 1.00 1.17 H new ATOM 1287 N PHE A 83 18.390 1.703 -4.210 1.00 0.36 N ATOM 1288 CA PHE A 83 16.943 1.670 -4.027 1.00 0.33 C ATOM 1289 C PHE A 83 16.399 3.072 -3.742 1.00 0.31 C ATOM 1290 O PHE A 83 15.383 3.480 -4.309 1.00 0.32 O ATOM 1291 CB PHE A 83 16.588 0.704 -2.881 1.00 0.35 C ATOM 1292 CG PHE A 83 15.114 0.582 -2.595 1.00 0.33 C ATOM 1293 CD1 PHE A 83 14.309 -0.225 -3.385 1.00 0.38 C ATOM 1294 CD2 PHE A 83 14.532 1.277 -1.545 1.00 0.32 C ATOM 1295 CE1 PHE A 83 12.954 -0.335 -3.133 1.00 0.41 C ATOM 1296 CE2 PHE A 83 13.180 1.168 -1.290 1.00 0.34 C ATOM 1297 CZ PHE A 83 12.397 0.351 -2.051 1.00 0.38 C ATOM 0 H PHE A 83 18.907 1.125 -3.547 1.00 0.36 H new ATOM 0 HA PHE A 83 16.479 1.314 -4.947 1.00 0.33 H new ATOM 0 HB2 PHE A 83 16.981 -0.284 -3.122 1.00 0.35 H new ATOM 0 HB3 PHE A 83 17.094 1.036 -1.974 1.00 0.35 H new ATOM 0 HD1 PHE A 83 14.746 -0.774 -4.206 1.00 0.38 H new ATOM 0 HD2 PHE A 83 15.144 1.911 -0.920 1.00 0.32 H new ATOM 0 HE1 PHE A 83 12.331 -0.947 -3.768 1.00 0.41 H new ATOM 0 HE2 PHE A 83 12.739 1.734 -0.482 1.00 0.34 H new ATOM 0 HZ PHE A 83 11.349 0.235 -1.818 1.00 0.38 H new ATOM 1307 N GLU A 84 17.098 3.817 -2.892 1.00 0.34 N ATOM 1308 CA GLU A 84 16.644 5.142 -2.494 1.00 0.39 C ATOM 1309 C GLU A 84 16.743 6.124 -3.654 1.00 0.37 C ATOM 1310 O GLU A 84 15.901 6.997 -3.789 1.00 0.40 O ATOM 1311 CB GLU A 84 17.442 5.664 -1.290 1.00 0.51 C ATOM 1312 CG GLU A 84 16.914 6.985 -0.745 1.00 0.64 C ATOM 1313 CD GLU A 84 17.725 7.514 0.421 1.00 0.90 C ATOM 1314 OE1 GLU A 84 18.788 8.119 0.179 1.00 1.58 O ATOM 1315 OE2 GLU A 84 17.294 7.342 1.583 1.00 0.95 O ATOM 0 H GLU A 84 17.978 3.526 -2.467 1.00 0.34 H new ATOM 0 HA GLU A 84 15.598 5.055 -2.201 1.00 0.39 H new ATOM 0 HB2 GLU A 84 17.420 4.917 -0.497 1.00 0.51 H new ATOM 0 HB3 GLU A 84 18.485 5.790 -1.581 1.00 0.51 H new ATOM 0 HG2 GLU A 84 16.912 7.726 -1.544 1.00 0.64 H new ATOM 0 HG3 GLU A 84 15.879 6.853 -0.430 1.00 0.64 H new ATOM 1322 N GLN A 85 17.755 5.966 -4.503 1.00 0.37 N ATOM 1323 CA GLN A 85 17.938 6.864 -5.647 1.00 0.42 C ATOM 1324 C GLN A 85 16.731 6.822 -6.579 1.00 0.38 C ATOM 1325 O GLN A 85 16.401 7.812 -7.230 1.00 0.46 O ATOM 1326 CB GLN A 85 19.202 6.503 -6.425 1.00 0.50 C ATOM 1327 CG GLN A 85 20.493 6.948 -5.753 1.00 0.61 C ATOM 1328 CD GLN A 85 21.722 6.404 -6.450 1.00 1.44 C ATOM 1329 OE1 GLN A 85 22.249 7.016 -7.381 1.00 1.90 O ATOM 1330 NE2 GLN A 85 22.192 5.254 -5.996 1.00 2.16 N ATOM 0 H GLN A 85 18.458 5.231 -4.424 1.00 0.37 H new ATOM 0 HA GLN A 85 18.040 7.876 -5.255 1.00 0.42 H new ATOM 0 HB2 GLN A 85 19.232 5.423 -6.567 1.00 0.50 H new ATOM 0 HB3 GLN A 85 19.147 6.953 -7.416 1.00 0.50 H new ATOM 0 HG2 GLN A 85 20.537 8.037 -5.741 1.00 0.61 H new ATOM 0 HG3 GLN A 85 20.491 6.618 -4.714 1.00 0.61 H new ATOM 0 HE21 GLN A 85 21.724 4.781 -5.223 1.00 2.16 H new ATOM 0 HE22 GLN A 85 23.023 4.840 -6.419 1.00 2.16 H new ATOM 1339 N VAL A 86 16.074 5.675 -6.631 1.00 0.31 N ATOM 1340 CA VAL A 86 14.885 5.513 -7.448 1.00 0.31 C ATOM 1341 C VAL A 86 13.678 6.089 -6.729 1.00 0.29 C ATOM 1342 O VAL A 86 13.013 6.999 -7.220 1.00 0.32 O ATOM 1343 CB VAL A 86 14.616 4.027 -7.748 1.00 0.33 C ATOM 1344 CG1 VAL A 86 13.360 3.873 -8.591 1.00 0.38 C ATOM 1345 CG2 VAL A 86 15.811 3.390 -8.436 1.00 0.36 C ATOM 0 H VAL A 86 16.347 4.839 -6.114 1.00 0.31 H new ATOM 0 HA VAL A 86 15.053 6.042 -8.386 1.00 0.31 H new ATOM 0 HB VAL A 86 14.458 3.509 -6.802 1.00 0.33 H new ATOM 0 HG11 VAL A 86 13.185 2.816 -8.794 1.00 0.38 H new ATOM 0 HG12 VAL A 86 12.507 4.285 -8.052 1.00 0.38 H new ATOM 0 HG13 VAL A 86 13.486 4.407 -9.533 1.00 0.38 H new ATOM 0 HG21 VAL A 86 15.598 2.340 -8.638 1.00 0.36 H new ATOM 0 HG22 VAL A 86 16.009 3.907 -9.375 1.00 0.36 H new ATOM 0 HG23 VAL A 86 16.685 3.465 -7.790 1.00 0.36 H new ATOM 1355 N VAL A 87 13.415 5.553 -5.546 1.00 0.28 N ATOM 1356 CA VAL A 87 12.237 5.915 -4.776 1.00 0.32 C ATOM 1357 C VAL A 87 12.297 7.360 -4.276 1.00 0.35 C ATOM 1358 O VAL A 87 11.298 7.912 -3.817 1.00 0.37 O ATOM 1359 CB VAL A 87 12.039 4.952 -3.596 1.00 0.38 C ATOM 1360 CG1 VAL A 87 12.001 3.522 -4.101 1.00 0.38 C ATOM 1361 CG2 VAL A 87 13.133 5.123 -2.560 1.00 0.41 C ATOM 0 H VAL A 87 14.010 4.858 -5.096 1.00 0.28 H new ATOM 0 HA VAL A 87 11.382 5.834 -5.447 1.00 0.32 H new ATOM 0 HB VAL A 87 11.089 5.185 -3.115 1.00 0.38 H new ATOM 0 HG11 VAL A 87 11.860 2.843 -3.260 1.00 0.38 H new ATOM 0 HG12 VAL A 87 11.175 3.406 -4.803 1.00 0.38 H new ATOM 0 HG13 VAL A 87 12.940 3.288 -4.603 1.00 0.38 H new ATOM 0 HG21 VAL A 87 12.966 4.428 -1.737 1.00 0.41 H new ATOM 0 HG22 VAL A 87 14.102 4.919 -3.017 1.00 0.41 H new ATOM 0 HG23 VAL A 87 13.119 6.145 -2.181 1.00 0.41 H new ATOM 1371 N ASN A 88 13.468 7.971 -4.369 1.00 0.38 N ATOM 1372 CA ASN A 88 13.630 9.381 -4.017 1.00 0.47 C ATOM 1373 C ASN A 88 12.870 10.255 -5.006 1.00 0.44 C ATOM 1374 O ASN A 88 12.414 11.347 -4.665 1.00 0.45 O ATOM 1375 CB ASN A 88 15.113 9.778 -4.013 1.00 0.61 C ATOM 1376 CG ASN A 88 15.350 11.178 -3.477 1.00 0.78 C ATOM 1377 OD1 ASN A 88 14.628 11.655 -2.602 1.00 0.87 O ATOM 1378 ND2 ASN A 88 16.370 11.848 -3.996 1.00 0.97 N ATOM 0 H ASN A 88 14.324 7.515 -4.685 1.00 0.38 H new ATOM 0 HA ASN A 88 13.228 9.530 -3.015 1.00 0.47 H new ATOM 0 HB2 ASN A 88 15.673 9.064 -3.409 1.00 0.61 H new ATOM 0 HB3 ASN A 88 15.504 9.713 -5.028 1.00 0.61 H new ATOM 0 HD21 ASN A 88 16.578 12.792 -3.671 1.00 0.97 H new ATOM 0 HD22 ASN A 88 16.946 11.419 -4.720 1.00 0.97 H new ATOM 1385 N GLU A 89 12.704 9.754 -6.228 1.00 0.42 N ATOM 1386 CA GLU A 89 11.991 10.495 -7.258 1.00 0.45 C ATOM 1387 C GLU A 89 10.515 10.600 -6.913 1.00 0.38 C ATOM 1388 O GLU A 89 9.814 11.463 -7.422 1.00 0.43 O ATOM 1389 CB GLU A 89 12.159 9.848 -8.635 1.00 0.54 C ATOM 1390 CG GLU A 89 13.579 9.911 -9.171 1.00 0.65 C ATOM 1391 CD GLU A 89 13.637 9.653 -10.658 1.00 1.23 C ATOM 1392 OE1 GLU A 89 13.369 10.582 -11.448 1.00 1.28 O ATOM 1393 OE2 GLU A 89 13.953 8.510 -11.048 1.00 2.04 O ATOM 0 H GLU A 89 13.053 8.843 -6.525 1.00 0.42 H new ATOM 0 HA GLU A 89 12.422 11.495 -7.299 1.00 0.45 H new ATOM 0 HB2 GLU A 89 11.848 8.805 -8.577 1.00 0.54 H new ATOM 0 HB3 GLU A 89 11.491 10.341 -9.342 1.00 0.54 H new ATOM 0 HG2 GLU A 89 14.004 10.892 -8.957 1.00 0.65 H new ATOM 0 HG3 GLU A 89 14.195 9.177 -8.652 1.00 0.65 H new ATOM 1400 N LEU A 90 10.049 9.724 -6.035 1.00 0.31 N ATOM 1401 CA LEU A 90 8.676 9.782 -5.567 1.00 0.27 C ATOM 1402 C LEU A 90 8.490 11.009 -4.687 1.00 0.25 C ATOM 1403 O LEU A 90 7.479 11.701 -4.765 1.00 0.26 O ATOM 1404 CB LEU A 90 8.328 8.521 -4.774 1.00 0.26 C ATOM 1405 CG LEU A 90 8.562 7.201 -5.504 1.00 0.30 C ATOM 1406 CD1 LEU A 90 8.339 6.036 -4.560 1.00 0.31 C ATOM 1407 CD2 LEU A 90 7.653 7.088 -6.715 1.00 0.37 C ATOM 0 H LEU A 90 10.602 8.966 -5.634 1.00 0.31 H new ATOM 0 HA LEU A 90 8.012 9.846 -6.429 1.00 0.27 H new ATOM 0 HB2 LEU A 90 8.914 8.517 -3.855 1.00 0.26 H new ATOM 0 HB3 LEU A 90 7.279 8.574 -4.482 1.00 0.26 H new ATOM 0 HG LEU A 90 9.595 7.176 -5.852 1.00 0.30 H new ATOM 0 HD11 LEU A 90 8.509 5.100 -5.091 1.00 0.31 H new ATOM 0 HD12 LEU A 90 9.033 6.109 -3.722 1.00 0.31 H new ATOM 0 HD13 LEU A 90 7.315 6.061 -4.187 1.00 0.31 H new ATOM 0 HD21 LEU A 90 7.836 6.140 -7.220 1.00 0.37 H new ATOM 0 HD22 LEU A 90 6.612 7.133 -6.394 1.00 0.37 H new ATOM 0 HD23 LEU A 90 7.857 7.910 -7.401 1.00 0.37 H new ATOM 1419 N PHE A 91 9.498 11.280 -3.869 1.00 0.27 N ATOM 1420 CA PHE A 91 9.448 12.385 -2.925 1.00 0.29 C ATOM 1421 C PHE A 91 9.775 13.701 -3.624 1.00 0.33 C ATOM 1422 O PHE A 91 9.151 14.730 -3.364 1.00 0.33 O ATOM 1423 CB PHE A 91 10.438 12.139 -1.778 1.00 0.35 C ATOM 1424 CG PHE A 91 10.158 12.948 -0.542 1.00 0.37 C ATOM 1425 CD1 PHE A 91 10.634 14.242 -0.413 1.00 0.46 C ATOM 1426 CD2 PHE A 91 9.414 12.407 0.495 1.00 0.37 C ATOM 1427 CE1 PHE A 91 10.376 14.980 0.726 1.00 0.53 C ATOM 1428 CE2 PHE A 91 9.151 13.141 1.635 1.00 0.43 C ATOM 1429 CZ PHE A 91 9.632 14.430 1.750 1.00 0.50 C ATOM 0 H PHE A 91 10.366 10.745 -3.842 1.00 0.27 H new ATOM 0 HA PHE A 91 8.439 12.450 -2.518 1.00 0.29 H new ATOM 0 HB2 PHE A 91 10.421 11.081 -1.518 1.00 0.35 H new ATOM 0 HB3 PHE A 91 11.446 12.365 -2.127 1.00 0.35 H new ATOM 0 HD1 PHE A 91 11.214 14.679 -1.212 1.00 0.46 H new ATOM 0 HD2 PHE A 91 9.035 11.399 0.410 1.00 0.37 H new ATOM 0 HE1 PHE A 91 10.756 15.987 0.815 1.00 0.53 H new ATOM 0 HE2 PHE A 91 8.570 12.707 2.435 1.00 0.43 H new ATOM 0 HZ PHE A 91 9.426 15.007 2.640 1.00 0.50 H new ATOM 1439 N ARG A 92 10.736 13.656 -4.537 1.00 0.39 N ATOM 1440 CA ARG A 92 11.238 14.865 -5.176 1.00 0.49 C ATOM 1441 C ARG A 92 10.360 15.295 -6.353 1.00 0.51 C ATOM 1442 O ARG A 92 10.585 16.344 -6.952 1.00 0.62 O ATOM 1443 CB ARG A 92 12.681 14.656 -5.640 1.00 0.56 C ATOM 1444 CG ARG A 92 13.659 14.381 -4.503 1.00 1.24 C ATOM 1445 CD ARG A 92 13.687 15.524 -3.499 1.00 1.54 C ATOM 1446 NE ARG A 92 14.493 15.209 -2.320 1.00 2.30 N ATOM 1447 CZ ARG A 92 14.242 15.693 -1.104 1.00 2.99 C ATOM 1448 NH1 ARG A 92 13.206 16.501 -0.912 1.00 3.13 N ATOM 1449 NH2 ARG A 92 15.017 15.356 -0.080 1.00 3.95 N ATOM 0 H ARG A 92 11.184 12.795 -4.852 1.00 0.39 H new ATOM 0 HA ARG A 92 11.209 15.665 -4.436 1.00 0.49 H new ATOM 0 HB2 ARG A 92 12.710 13.822 -6.342 1.00 0.56 H new ATOM 0 HB3 ARG A 92 13.010 15.542 -6.184 1.00 0.56 H new ATOM 0 HG2 ARG A 92 13.378 13.458 -3.996 1.00 1.24 H new ATOM 0 HG3 ARG A 92 14.658 14.230 -4.911 1.00 1.24 H new ATOM 0 HD2 ARG A 92 14.085 16.417 -3.980 1.00 1.54 H new ATOM 0 HD3 ARG A 92 12.668 15.756 -3.188 1.00 1.54 H new ATOM 0 HE ARG A 92 15.291 14.584 -2.435 1.00 2.30 H new ATOM 0 HH11 ARG A 92 12.602 16.751 -1.695 1.00 3.13 H new ATOM 0 HH12 ARG A 92 13.014 16.871 0.019 1.00 3.13 H new ATOM 0 HH21 ARG A 92 15.806 14.726 -0.223 1.00 3.95 H new ATOM 0 HH22 ARG A 92 14.823 15.727 0.850 1.00 3.95 H new ATOM 1463 N ASP A 93 9.359 14.483 -6.676 1.00 0.46 N ATOM 1464 CA ASP A 93 8.439 14.802 -7.768 1.00 0.53 C ATOM 1465 C ASP A 93 7.163 15.439 -7.215 1.00 0.50 C ATOM 1466 O ASP A 93 6.204 15.681 -7.948 1.00 0.60 O ATOM 1467 CB ASP A 93 8.105 13.527 -8.565 1.00 0.62 C ATOM 1468 CG ASP A 93 7.283 13.782 -9.816 1.00 0.90 C ATOM 1469 OD1 ASP A 93 7.850 14.268 -10.817 1.00 1.14 O ATOM 1470 OD2 ASP A 93 6.059 13.540 -9.793 1.00 1.11 O ATOM 0 H ASP A 93 9.162 13.602 -6.201 1.00 0.46 H new ATOM 0 HA ASP A 93 8.918 15.516 -8.438 1.00 0.53 H new ATOM 0 HB2 ASP A 93 9.035 13.033 -8.847 1.00 0.62 H new ATOM 0 HB3 ASP A 93 7.561 12.838 -7.919 1.00 0.62 H new ATOM 1475 N GLY A 94 7.159 15.737 -5.920 1.00 0.45 N ATOM 1476 CA GLY A 94 5.968 16.301 -5.313 1.00 0.47 C ATOM 1477 C GLY A 94 5.164 15.271 -4.549 1.00 0.39 C ATOM 1478 O GLY A 94 3.934 15.315 -4.582 1.00 0.42 O ATOM 0 H GLY A 94 7.947 15.601 -5.287 1.00 0.45 H new ATOM 0 HA2 GLY A 94 6.255 17.107 -4.638 1.00 0.47 H new ATOM 0 HA3 GLY A 94 5.343 16.743 -6.089 1.00 0.47 H new ATOM 1482 N VAL A 95 5.874 14.331 -3.903 1.00 0.32 N ATOM 1483 CA VAL A 95 5.276 13.165 -3.229 1.00 0.26 C ATOM 1484 C VAL A 95 3.851 13.406 -2.735 1.00 0.25 C ATOM 1485 O VAL A 95 3.607 14.186 -1.819 1.00 0.29 O ATOM 1486 CB VAL A 95 6.150 12.692 -2.039 1.00 0.31 C ATOM 1487 CG1 VAL A 95 6.442 13.835 -1.075 1.00 0.40 C ATOM 1488 CG2 VAL A 95 5.480 11.530 -1.314 1.00 0.33 C ATOM 0 H VAL A 95 6.891 14.359 -3.833 1.00 0.32 H new ATOM 0 HA VAL A 95 5.232 12.389 -3.993 1.00 0.26 H new ATOM 0 HB VAL A 95 7.103 12.347 -2.439 1.00 0.31 H new ATOM 0 HG11 VAL A 95 7.057 13.469 -0.252 1.00 0.40 H new ATOM 0 HG12 VAL A 95 6.974 14.628 -1.601 1.00 0.40 H new ATOM 0 HG13 VAL A 95 5.504 14.227 -0.681 1.00 0.40 H new ATOM 0 HG21 VAL A 95 6.107 11.210 -0.482 1.00 0.33 H new ATOM 0 HG22 VAL A 95 4.509 11.849 -0.935 1.00 0.33 H new ATOM 0 HG23 VAL A 95 5.345 10.699 -2.006 1.00 0.33 H new ATOM 1498 N ASN A 96 2.911 12.766 -3.402 1.00 0.24 N ATOM 1499 CA ASN A 96 1.524 12.779 -2.978 1.00 0.29 C ATOM 1500 C ASN A 96 1.144 11.381 -2.484 1.00 0.23 C ATOM 1501 O ASN A 96 1.964 10.463 -2.543 1.00 0.21 O ATOM 1502 CB ASN A 96 0.621 13.234 -4.134 1.00 0.41 C ATOM 1503 CG ASN A 96 -0.817 13.482 -3.704 1.00 1.33 C ATOM 1504 OD1 ASN A 96 -1.087 13.786 -2.541 1.00 2.13 O ATOM 1505 ND2 ASN A 96 -1.747 13.364 -4.639 1.00 2.00 N ATOM 0 H ASN A 96 3.085 12.225 -4.249 1.00 0.24 H new ATOM 0 HA ASN A 96 1.388 13.487 -2.161 1.00 0.29 H new ATOM 0 HB2 ASN A 96 1.028 14.148 -4.567 1.00 0.41 H new ATOM 0 HB3 ASN A 96 0.634 12.477 -4.918 1.00 0.41 H new ATOM 0 HD21 ASN A 96 -2.727 13.527 -4.407 1.00 2.00 H new ATOM 0 HD22 ASN A 96 -1.484 13.110 -5.591 1.00 2.00 H new ATOM 1512 N TRP A 97 -0.087 11.217 -2.015 1.00 0.25 N ATOM 1513 CA TRP A 97 -0.536 9.953 -1.432 1.00 0.24 C ATOM 1514 C TRP A 97 -0.405 8.790 -2.422 1.00 0.25 C ATOM 1515 O TRP A 97 -0.119 7.659 -2.026 1.00 0.25 O ATOM 1516 CB TRP A 97 -1.983 10.078 -0.940 1.00 0.27 C ATOM 1517 CG TRP A 97 -2.166 11.157 0.093 1.00 0.28 C ATOM 1518 CD1 TRP A 97 -2.802 12.354 -0.077 1.00 0.32 C ATOM 1519 CD2 TRP A 97 -1.697 11.143 1.451 1.00 0.27 C ATOM 1520 NE1 TRP A 97 -2.763 13.079 1.089 1.00 0.34 N ATOM 1521 CE2 TRP A 97 -2.090 12.359 2.040 1.00 0.30 C ATOM 1522 CE3 TRP A 97 -0.987 10.220 2.226 1.00 0.26 C ATOM 1523 CZ2 TRP A 97 -1.795 12.674 3.365 1.00 0.32 C ATOM 1524 CZ3 TRP A 97 -0.696 10.535 3.540 1.00 0.27 C ATOM 1525 CH2 TRP A 97 -1.099 11.754 4.098 1.00 0.30 C ATOM 0 H TRP A 97 -0.799 11.948 -2.026 1.00 0.25 H new ATOM 0 HA TRP A 97 0.111 9.733 -0.583 1.00 0.24 H new ATOM 0 HB2 TRP A 97 -2.633 10.284 -1.791 1.00 0.27 H new ATOM 0 HB3 TRP A 97 -2.301 9.124 -0.520 1.00 0.27 H new ATOM 0 HD1 TRP A 97 -3.268 12.682 -0.994 1.00 0.32 H new ATOM 0 HE1 TRP A 97 -3.170 14.004 1.225 1.00 0.34 H new ATOM 0 HE3 TRP A 97 -0.671 9.277 1.805 1.00 0.26 H new ATOM 0 HZ2 TRP A 97 -2.106 13.613 3.798 1.00 0.32 H new ATOM 0 HZ3 TRP A 97 -0.148 9.829 4.146 1.00 0.27 H new ATOM 0 HH2 TRP A 97 -0.855 11.972 5.127 1.00 0.30 H new ATOM 1536 N GLY A 98 -0.583 9.076 -3.711 1.00 0.27 N ATOM 1537 CA GLY A 98 -0.475 8.043 -4.728 1.00 0.29 C ATOM 1538 C GLY A 98 0.948 7.541 -4.904 1.00 0.26 C ATOM 1539 O GLY A 98 1.167 6.425 -5.371 1.00 0.27 O ATOM 0 H GLY A 98 -0.800 10.006 -4.069 1.00 0.27 H new ATOM 0 HA2 GLY A 98 -1.121 7.207 -4.461 1.00 0.29 H new ATOM 0 HA3 GLY A 98 -0.838 8.435 -5.678 1.00 0.29 H new ATOM 1543 N ARG A 99 1.917 8.361 -4.517 1.00 0.26 N ATOM 1544 CA ARG A 99 3.325 7.977 -4.607 1.00 0.25 C ATOM 1545 C ARG A 99 3.670 7.012 -3.488 1.00 0.21 C ATOM 1546 O ARG A 99 4.531 6.149 -3.641 1.00 0.20 O ATOM 1547 CB ARG A 99 4.234 9.210 -4.558 1.00 0.30 C ATOM 1548 CG ARG A 99 4.583 9.779 -5.934 1.00 0.70 C ATOM 1549 CD ARG A 99 3.346 10.100 -6.767 1.00 1.40 C ATOM 1550 NE ARG A 99 3.695 10.345 -8.164 1.00 1.74 N ATOM 1551 CZ ARG A 99 2.878 10.113 -9.191 1.00 2.46 C ATOM 1552 NH1 ARG A 99 1.625 9.725 -8.983 1.00 3.06 N ATOM 1553 NH2 ARG A 99 3.309 10.302 -10.432 1.00 2.98 N ATOM 0 H ARG A 99 1.757 9.295 -4.138 1.00 0.26 H new ATOM 0 HA ARG A 99 3.489 7.481 -5.564 1.00 0.25 H new ATOM 0 HB2 ARG A 99 3.746 9.986 -3.968 1.00 0.30 H new ATOM 0 HB3 ARG A 99 5.156 8.949 -4.039 1.00 0.30 H new ATOM 0 HG2 ARG A 99 5.177 10.684 -5.809 1.00 0.70 H new ATOM 0 HG3 ARG A 99 5.203 9.063 -6.473 1.00 0.70 H new ATOM 0 HD2 ARG A 99 2.639 9.272 -6.706 1.00 1.40 H new ATOM 0 HD3 ARG A 99 2.846 10.977 -6.356 1.00 1.40 H new ATOM 0 HE ARG A 99 4.623 10.717 -8.366 1.00 1.74 H new ATOM 0 HH11 ARG A 99 1.281 9.602 -8.031 1.00 3.06 H new ATOM 0 HH12 ARG A 99 1.007 9.550 -9.775 1.00 3.06 H new ATOM 0 HH21 ARG A 99 4.263 10.624 -10.597 1.00 2.98 H new ATOM 0 HH22 ARG A 99 2.687 10.125 -11.221 1.00 2.98 H new ATOM 1567 N ILE A 100 2.974 7.155 -2.370 1.00 0.22 N ATOM 1568 CA ILE A 100 3.086 6.206 -1.278 1.00 0.21 C ATOM 1569 C ILE A 100 2.546 4.862 -1.737 1.00 0.20 C ATOM 1570 O ILE A 100 3.158 3.818 -1.521 1.00 0.19 O ATOM 1571 CB ILE A 100 2.306 6.688 -0.036 1.00 0.24 C ATOM 1572 CG1 ILE A 100 2.885 8.009 0.472 1.00 0.26 C ATOM 1573 CG2 ILE A 100 2.327 5.631 1.056 1.00 0.24 C ATOM 1574 CD1 ILE A 100 2.300 8.462 1.790 1.00 0.30 C ATOM 0 H ILE A 100 2.324 7.922 -2.197 1.00 0.22 H new ATOM 0 HA ILE A 100 4.135 6.115 -0.998 1.00 0.21 H new ATOM 0 HB ILE A 100 1.267 6.854 -0.321 1.00 0.24 H new ATOM 0 HG12 ILE A 100 3.965 7.904 0.581 1.00 0.26 H new ATOM 0 HG13 ILE A 100 2.713 8.782 -0.277 1.00 0.26 H new ATOM 0 HG21 ILE A 100 1.772 5.991 1.922 1.00 0.24 H new ATOM 0 HG22 ILE A 100 1.867 4.715 0.685 1.00 0.24 H new ATOM 0 HG23 ILE A 100 3.358 5.427 1.345 1.00 0.24 H new ATOM 0 HD11 ILE A 100 2.759 9.405 2.087 1.00 0.30 H new ATOM 0 HD12 ILE A 100 1.224 8.600 1.682 1.00 0.30 H new ATOM 0 HD13 ILE A 100 2.495 7.708 2.553 1.00 0.30 H new ATOM 1586 N VAL A 101 1.400 4.915 -2.400 1.00 0.21 N ATOM 1587 CA VAL A 101 0.787 3.740 -2.989 1.00 0.21 C ATOM 1588 C VAL A 101 1.760 3.046 -3.927 1.00 0.20 C ATOM 1589 O VAL A 101 2.013 1.845 -3.807 1.00 0.21 O ATOM 1590 CB VAL A 101 -0.464 4.123 -3.786 1.00 0.25 C ATOM 1591 CG1 VAL A 101 -1.095 2.892 -4.394 1.00 0.29 C ATOM 1592 CG2 VAL A 101 -1.450 4.857 -2.905 1.00 0.26 C ATOM 0 H VAL A 101 0.871 5.775 -2.543 1.00 0.21 H new ATOM 0 HA VAL A 101 0.513 3.069 -2.175 1.00 0.21 H new ATOM 0 HB VAL A 101 -0.172 4.792 -4.595 1.00 0.25 H new ATOM 0 HG11 VAL A 101 -1.983 3.179 -4.957 1.00 0.29 H new ATOM 0 HG12 VAL A 101 -0.381 2.410 -5.062 1.00 0.29 H new ATOM 0 HG13 VAL A 101 -1.376 2.198 -3.602 1.00 0.29 H new ATOM 0 HG21 VAL A 101 -2.332 5.121 -3.488 1.00 0.26 H new ATOM 0 HG22 VAL A 101 -1.743 4.216 -2.074 1.00 0.26 H new ATOM 0 HG23 VAL A 101 -0.986 5.764 -2.517 1.00 0.26 H new ATOM 1602 N ALA A 102 2.288 3.818 -4.868 1.00 0.19 N ATOM 1603 CA ALA A 102 3.244 3.312 -5.835 1.00 0.19 C ATOM 1604 C ALA A 102 4.434 2.670 -5.136 1.00 0.17 C ATOM 1605 O ALA A 102 4.870 1.587 -5.513 1.00 0.19 O ATOM 1606 CB ALA A 102 3.700 4.437 -6.748 1.00 0.21 C ATOM 0 H ALA A 102 2.065 4.807 -4.979 1.00 0.19 H new ATOM 0 HA ALA A 102 2.758 2.545 -6.438 1.00 0.19 H new ATOM 0 HB1 ALA A 102 4.418 4.050 -7.472 1.00 0.21 H new ATOM 0 HB2 ALA A 102 2.840 4.849 -7.275 1.00 0.21 H new ATOM 0 HB3 ALA A 102 4.171 5.220 -6.153 1.00 0.21 H new ATOM 1612 N PHE A 103 4.923 3.333 -4.093 1.00 0.16 N ATOM 1613 CA PHE A 103 6.069 2.845 -3.326 1.00 0.17 C ATOM 1614 C PHE A 103 5.804 1.450 -2.769 1.00 0.17 C ATOM 1615 O PHE A 103 6.655 0.563 -2.851 1.00 0.21 O ATOM 1616 CB PHE A 103 6.390 3.819 -2.182 1.00 0.17 C ATOM 1617 CG PHE A 103 7.545 3.382 -1.322 1.00 0.19 C ATOM 1618 CD1 PHE A 103 8.831 3.369 -1.832 1.00 0.29 C ATOM 1619 CD2 PHE A 103 7.345 2.979 -0.011 1.00 0.17 C ATOM 1620 CE1 PHE A 103 9.896 2.965 -1.053 1.00 0.32 C ATOM 1621 CE2 PHE A 103 8.406 2.574 0.773 1.00 0.20 C ATOM 1622 CZ PHE A 103 9.683 2.567 0.250 1.00 0.26 C ATOM 0 H PHE A 103 4.541 4.217 -3.756 1.00 0.16 H new ATOM 0 HA PHE A 103 6.926 2.784 -3.997 1.00 0.17 H new ATOM 0 HB2 PHE A 103 6.613 4.799 -2.603 1.00 0.17 H new ATOM 0 HB3 PHE A 103 5.505 3.934 -1.556 1.00 0.17 H new ATOM 0 HD1 PHE A 103 9.003 3.679 -2.852 1.00 0.29 H new ATOM 0 HD2 PHE A 103 6.347 2.982 0.402 1.00 0.17 H new ATOM 0 HE1 PHE A 103 10.895 2.961 -1.463 1.00 0.32 H new ATOM 0 HE2 PHE A 103 8.237 2.263 1.793 1.00 0.20 H new ATOM 0 HZ PHE A 103 10.515 2.250 0.861 1.00 0.26 H new ATOM 1632 N PHE A 104 4.615 1.258 -2.223 1.00 0.16 N ATOM 1633 CA PHE A 104 4.240 -0.023 -1.641 1.00 0.18 C ATOM 1634 C PHE A 104 3.997 -1.059 -2.732 1.00 0.19 C ATOM 1635 O PHE A 104 4.305 -2.241 -2.565 1.00 0.23 O ATOM 1636 CB PHE A 104 2.994 0.135 -0.763 1.00 0.19 C ATOM 1637 CG PHE A 104 3.265 0.757 0.584 1.00 0.21 C ATOM 1638 CD1 PHE A 104 3.877 1.995 0.669 1.00 0.24 C ATOM 1639 CD2 PHE A 104 2.921 0.106 1.759 1.00 0.29 C ATOM 1640 CE1 PHE A 104 4.137 2.571 1.896 1.00 0.27 C ATOM 1641 CE2 PHE A 104 3.180 0.678 2.987 1.00 0.33 C ATOM 1642 CZ PHE A 104 3.739 1.894 3.075 1.00 0.30 C ATOM 0 H PHE A 104 3.890 1.974 -2.170 1.00 0.16 H new ATOM 0 HA PHE A 104 5.063 -0.372 -1.017 1.00 0.18 H new ATOM 0 HB2 PHE A 104 2.264 0.747 -1.293 1.00 0.19 H new ATOM 0 HB3 PHE A 104 2.541 -0.845 -0.614 1.00 0.19 H new ATOM 0 HD1 PHE A 104 4.154 2.517 -0.235 1.00 0.24 H new ATOM 0 HD2 PHE A 104 2.444 -0.862 1.712 1.00 0.29 H new ATOM 0 HE1 PHE A 104 4.638 3.526 1.957 1.00 0.27 H new ATOM 0 HE2 PHE A 104 2.929 0.140 3.889 1.00 0.33 H new ATOM 0 HZ PHE A 104 3.885 2.355 4.041 1.00 0.30 H new ATOM 1652 N SER A 105 3.465 -0.606 -3.858 1.00 0.18 N ATOM 1653 CA SER A 105 3.202 -1.487 -4.985 1.00 0.21 C ATOM 1654 C SER A 105 4.512 -1.975 -5.609 1.00 0.21 C ATOM 1655 O SER A 105 4.584 -3.094 -6.120 1.00 0.23 O ATOM 1656 CB SER A 105 2.348 -0.764 -6.029 1.00 0.25 C ATOM 1657 OG SER A 105 1.160 -0.249 -5.447 1.00 1.04 O ATOM 0 H SER A 105 3.207 0.368 -4.015 1.00 0.18 H new ATOM 0 HA SER A 105 2.654 -2.357 -4.624 1.00 0.21 H new ATOM 0 HB2 SER A 105 2.922 0.049 -6.473 1.00 0.25 H new ATOM 0 HB3 SER A 105 2.093 -1.452 -6.835 1.00 0.25 H new ATOM 0 HG SER A 105 1.384 0.496 -4.851 1.00 1.04 H new ATOM 1663 N PHE A 106 5.550 -1.137 -5.553 1.00 0.20 N ATOM 1664 CA PHE A 106 6.856 -1.510 -6.086 1.00 0.21 C ATOM 1665 C PHE A 106 7.423 -2.683 -5.308 1.00 0.22 C ATOM 1666 O PHE A 106 7.866 -3.666 -5.897 1.00 0.24 O ATOM 1667 CB PHE A 106 7.848 -0.342 -6.032 1.00 0.23 C ATOM 1668 CG PHE A 106 7.472 0.836 -6.886 1.00 0.24 C ATOM 1669 CD1 PHE A 106 6.779 0.663 -8.074 1.00 0.30 C ATOM 1670 CD2 PHE A 106 7.819 2.119 -6.496 1.00 0.27 C ATOM 1671 CE1 PHE A 106 6.435 1.750 -8.853 1.00 0.35 C ATOM 1672 CE2 PHE A 106 7.479 3.208 -7.272 1.00 0.30 C ATOM 1673 CZ PHE A 106 6.786 3.024 -8.451 1.00 0.33 C ATOM 0 H PHE A 106 5.509 -0.203 -5.146 1.00 0.20 H new ATOM 0 HA PHE A 106 6.713 -1.789 -7.130 1.00 0.21 H new ATOM 0 HB2 PHE A 106 7.942 -0.010 -4.998 1.00 0.23 H new ATOM 0 HB3 PHE A 106 8.829 -0.701 -6.342 1.00 0.23 H new ATOM 0 HD1 PHE A 106 6.505 -0.332 -8.393 1.00 0.30 H new ATOM 0 HD2 PHE A 106 8.362 2.269 -5.574 1.00 0.27 H new ATOM 0 HE1 PHE A 106 5.892 1.604 -9.775 1.00 0.35 H new ATOM 0 HE2 PHE A 106 7.755 4.203 -6.957 1.00 0.30 H new ATOM 0 HZ PHE A 106 6.518 3.876 -9.059 1.00 0.33 H new ATOM 1683 N GLY A 107 7.389 -2.582 -3.982 1.00 0.23 N ATOM 1684 CA GLY A 107 7.883 -3.658 -3.147 1.00 0.27 C ATOM 1685 C GLY A 107 7.164 -4.960 -3.420 1.00 0.32 C ATOM 1686 O GLY A 107 7.773 -6.027 -3.408 1.00 0.37 O ATOM 0 H GLY A 107 7.028 -1.775 -3.473 1.00 0.23 H new ATOM 0 HA2 GLY A 107 8.951 -3.790 -3.320 1.00 0.27 H new ATOM 0 HA3 GLY A 107 7.760 -3.389 -2.098 1.00 0.27 H new ATOM 1690 N GLY A 108 5.866 -4.861 -3.688 1.00 0.33 N ATOM 1691 CA GLY A 108 5.070 -6.030 -4.016 1.00 0.41 C ATOM 1692 C GLY A 108 5.534 -6.716 -5.288 1.00 0.42 C ATOM 1693 O GLY A 108 5.308 -7.907 -5.477 1.00 0.63 O ATOM 0 H GLY A 108 5.347 -3.983 -3.684 1.00 0.33 H new ATOM 0 HA2 GLY A 108 5.114 -6.739 -3.189 1.00 0.41 H new ATOM 0 HA3 GLY A 108 4.027 -5.735 -4.127 1.00 0.41 H new ATOM 1697 N ALA A 109 6.172 -5.964 -6.166 1.00 0.27 N ATOM 1698 CA ALA A 109 6.739 -6.526 -7.381 1.00 0.26 C ATOM 1699 C ALA A 109 8.176 -6.967 -7.144 1.00 0.23 C ATOM 1700 O ALA A 109 8.603 -8.018 -7.623 1.00 0.24 O ATOM 1701 CB ALA A 109 6.677 -5.507 -8.503 1.00 0.29 C ATOM 0 H ALA A 109 6.311 -4.959 -6.061 1.00 0.27 H new ATOM 0 HA ALA A 109 6.155 -7.400 -7.668 1.00 0.26 H new ATOM 0 HB1 ALA A 109 7.104 -5.937 -9.409 1.00 0.29 H new ATOM 0 HB2 ALA A 109 5.639 -5.231 -8.687 1.00 0.29 H new ATOM 0 HB3 ALA A 109 7.244 -4.620 -8.220 1.00 0.29 H new ATOM 1707 N LEU A 110 8.904 -6.154 -6.386 1.00 0.22 N ATOM 1708 CA LEU A 110 10.302 -6.407 -6.076 1.00 0.23 C ATOM 1709 C LEU A 110 10.472 -7.712 -5.322 1.00 0.21 C ATOM 1710 O LEU A 110 11.323 -8.532 -5.665 1.00 0.21 O ATOM 1711 CB LEU A 110 10.859 -5.268 -5.232 1.00 0.25 C ATOM 1712 CG LEU A 110 10.867 -3.907 -5.908 1.00 0.28 C ATOM 1713 CD1 LEU A 110 11.330 -2.849 -4.930 1.00 0.32 C ATOM 1714 CD2 LEU A 110 11.758 -3.934 -7.135 1.00 0.36 C ATOM 0 H LEU A 110 8.537 -5.298 -5.969 1.00 0.22 H new ATOM 0 HA LEU A 110 10.846 -6.476 -7.018 1.00 0.23 H new ATOM 0 HB2 LEU A 110 10.274 -5.197 -4.315 1.00 0.25 H new ATOM 0 HB3 LEU A 110 11.879 -5.518 -4.941 1.00 0.25 H new ATOM 0 HG LEU A 110 9.855 -3.663 -6.230 1.00 0.28 H new ATOM 0 HD11 LEU A 110 11.333 -1.876 -5.421 1.00 0.32 H new ATOM 0 HD12 LEU A 110 10.653 -2.822 -4.076 1.00 0.32 H new ATOM 0 HD13 LEU A 110 12.337 -3.086 -4.588 1.00 0.32 H new ATOM 0 HD21 LEU A 110 11.754 -2.953 -7.609 1.00 0.36 H new ATOM 0 HD22 LEU A 110 12.776 -4.191 -6.840 1.00 0.36 H new ATOM 0 HD23 LEU A 110 11.386 -4.678 -7.839 1.00 0.36 H new ATOM 1726 N CYS A 111 9.663 -7.891 -4.287 1.00 0.21 N ATOM 1727 CA CYS A 111 9.751 -9.071 -3.443 1.00 0.21 C ATOM 1728 C CYS A 111 9.555 -10.342 -4.258 1.00 0.21 C ATOM 1729 O CYS A 111 10.133 -11.379 -3.955 1.00 0.25 O ATOM 1730 CB CYS A 111 8.720 -8.999 -2.316 1.00 0.22 C ATOM 1731 SG CYS A 111 7.016 -8.787 -2.875 1.00 1.34 S ATOM 0 H CYS A 111 8.936 -7.230 -4.012 1.00 0.21 H new ATOM 0 HA CYS A 111 10.749 -9.099 -3.005 1.00 0.21 H new ATOM 0 HB2 CYS A 111 8.784 -9.911 -1.723 1.00 0.22 H new ATOM 0 HB3 CYS A 111 8.979 -8.171 -1.656 1.00 0.22 H new ATOM 0 HG CYS A 111 6.812 -7.540 -3.183 1.00 1.34 H new ATOM 1737 N VAL A 112 8.756 -10.246 -5.305 1.00 0.19 N ATOM 1738 CA VAL A 112 8.490 -11.384 -6.161 1.00 0.20 C ATOM 1739 C VAL A 112 9.628 -11.602 -7.147 1.00 0.22 C ATOM 1740 O VAL A 112 10.195 -12.694 -7.223 1.00 0.25 O ATOM 1741 CB VAL A 112 7.180 -11.194 -6.939 1.00 0.23 C ATOM 1742 CG1 VAL A 112 6.929 -12.384 -7.843 1.00 0.27 C ATOM 1743 CG2 VAL A 112 6.015 -10.990 -5.985 1.00 0.25 C ATOM 0 H VAL A 112 8.279 -9.388 -5.582 1.00 0.19 H new ATOM 0 HA VAL A 112 8.400 -12.259 -5.517 1.00 0.20 H new ATOM 0 HB VAL A 112 7.271 -10.302 -7.559 1.00 0.23 H new ATOM 0 HG11 VAL A 112 5.997 -12.236 -8.389 1.00 0.27 H new ATOM 0 HG12 VAL A 112 7.752 -12.483 -8.551 1.00 0.27 H new ATOM 0 HG13 VAL A 112 6.857 -13.290 -7.241 1.00 0.27 H new ATOM 0 HG21 VAL A 112 5.096 -10.857 -6.556 1.00 0.25 H new ATOM 0 HG22 VAL A 112 5.917 -11.862 -5.338 1.00 0.25 H new ATOM 0 HG23 VAL A 112 6.195 -10.104 -5.376 1.00 0.25 H new ATOM 1753 N GLU A 113 9.956 -10.558 -7.903 1.00 0.22 N ATOM 1754 CA GLU A 113 10.977 -10.662 -8.941 1.00 0.25 C ATOM 1755 C GLU A 113 12.313 -11.110 -8.357 1.00 0.25 C ATOM 1756 O GLU A 113 13.059 -11.838 -9.002 1.00 0.30 O ATOM 1757 CB GLU A 113 11.148 -9.341 -9.703 1.00 0.29 C ATOM 1758 CG GLU A 113 11.700 -8.198 -8.868 1.00 0.30 C ATOM 1759 CD GLU A 113 12.008 -6.969 -9.702 1.00 0.39 C ATOM 1760 OE1 GLU A 113 11.064 -6.226 -10.050 1.00 0.51 O ATOM 1761 OE2 GLU A 113 13.195 -6.737 -10.008 1.00 0.50 O ATOM 0 H GLU A 113 9.532 -9.634 -7.817 1.00 0.22 H new ATOM 0 HA GLU A 113 10.636 -11.418 -9.648 1.00 0.25 H new ATOM 0 HB2 GLU A 113 11.812 -9.509 -10.551 1.00 0.29 H new ATOM 0 HB3 GLU A 113 10.182 -9.043 -10.110 1.00 0.29 H new ATOM 0 HG2 GLU A 113 10.979 -7.937 -8.093 1.00 0.30 H new ATOM 0 HG3 GLU A 113 12.607 -8.527 -8.362 1.00 0.30 H new ATOM 1768 N SER A 114 12.598 -10.700 -7.126 1.00 0.23 N ATOM 1769 CA SER A 114 13.846 -11.069 -6.481 1.00 0.28 C ATOM 1770 C SER A 114 13.900 -12.574 -6.248 1.00 0.27 C ATOM 1771 O SER A 114 14.948 -13.196 -6.407 1.00 0.31 O ATOM 1772 CB SER A 114 14.022 -10.307 -5.165 1.00 0.33 C ATOM 1773 OG SER A 114 12.860 -10.390 -4.365 1.00 0.99 O ATOM 0 H SER A 114 11.983 -10.115 -6.560 1.00 0.23 H new ATOM 0 HA SER A 114 14.669 -10.795 -7.141 1.00 0.28 H new ATOM 0 HB2 SER A 114 14.873 -10.713 -4.618 1.00 0.33 H new ATOM 0 HB3 SER A 114 14.248 -9.262 -5.375 1.00 0.33 H new ATOM 0 HG SER A 114 12.209 -9.721 -4.664 1.00 0.99 H new ATOM 1779 N VAL A 115 12.756 -13.158 -5.908 1.00 0.28 N ATOM 1780 CA VAL A 115 12.665 -14.595 -5.714 1.00 0.33 C ATOM 1781 C VAL A 115 12.943 -15.321 -7.021 1.00 0.37 C ATOM 1782 O VAL A 115 13.780 -16.222 -7.076 1.00 0.42 O ATOM 1783 CB VAL A 115 11.276 -14.999 -5.188 1.00 0.40 C ATOM 1784 CG1 VAL A 115 11.173 -16.509 -5.038 1.00 0.45 C ATOM 1785 CG2 VAL A 115 10.995 -14.311 -3.866 1.00 0.41 C ATOM 0 H VAL A 115 11.880 -12.656 -5.762 1.00 0.28 H new ATOM 0 HA VAL A 115 13.412 -14.879 -4.973 1.00 0.33 H new ATOM 0 HB VAL A 115 10.527 -14.680 -5.913 1.00 0.40 H new ATOM 0 HG11 VAL A 115 10.183 -16.771 -4.665 1.00 0.45 H new ATOM 0 HG12 VAL A 115 11.333 -16.983 -6.007 1.00 0.45 H new ATOM 0 HG13 VAL A 115 11.929 -16.857 -4.335 1.00 0.45 H new ATOM 0 HG21 VAL A 115 10.010 -14.605 -3.505 1.00 0.41 H new ATOM 0 HG22 VAL A 115 11.751 -14.602 -3.136 1.00 0.41 H new ATOM 0 HG23 VAL A 115 11.023 -13.230 -4.005 1.00 0.41 H new ATOM 1795 N ASP A 116 12.243 -14.910 -8.075 1.00 0.38 N ATOM 1796 CA ASP A 116 12.440 -15.486 -9.404 1.00 0.46 C ATOM 1797 C ASP A 116 13.883 -15.329 -9.861 1.00 0.47 C ATOM 1798 O ASP A 116 14.432 -16.211 -10.521 1.00 0.56 O ATOM 1799 CB ASP A 116 11.504 -14.838 -10.429 1.00 0.49 C ATOM 1800 CG ASP A 116 10.124 -15.457 -10.435 1.00 1.08 C ATOM 1801 OD1 ASP A 116 9.919 -16.465 -11.140 1.00 1.89 O ATOM 1802 OD2 ASP A 116 9.236 -14.943 -9.722 1.00 1.23 O ATOM 0 H ASP A 116 11.533 -14.179 -8.035 1.00 0.38 H new ATOM 0 HA ASP A 116 12.206 -16.548 -9.334 1.00 0.46 H new ATOM 0 HB2 ASP A 116 11.419 -13.773 -10.214 1.00 0.49 H new ATOM 0 HB3 ASP A 116 11.942 -14.928 -11.423 1.00 0.49 H new ATOM 1807 N LYS A 117 14.501 -14.213 -9.492 1.00 0.43 N ATOM 1808 CA LYS A 117 15.886 -13.941 -9.867 1.00 0.49 C ATOM 1809 C LYS A 117 16.861 -14.623 -8.905 1.00 0.47 C ATOM 1810 O LYS A 117 18.058 -14.331 -8.917 1.00 0.52 O ATOM 1811 CB LYS A 117 16.142 -12.429 -9.911 1.00 0.53 C ATOM 1812 CG LYS A 117 15.332 -11.708 -10.980 1.00 0.61 C ATOM 1813 CD LYS A 117 15.492 -10.198 -10.887 1.00 1.20 C ATOM 1814 CE LYS A 117 14.594 -9.480 -11.887 1.00 1.32 C ATOM 1815 NZ LYS A 117 14.717 -8.003 -11.791 1.00 1.90 N ATOM 0 H LYS A 117 14.065 -13.480 -8.933 1.00 0.43 H new ATOM 0 HA LYS A 117 16.054 -14.352 -10.863 1.00 0.49 H new ATOM 0 HB2 LYS A 117 15.907 -12.000 -8.937 1.00 0.53 H new ATOM 0 HB3 LYS A 117 17.203 -12.253 -10.089 1.00 0.53 H new ATOM 0 HG2 LYS A 117 15.649 -12.047 -11.966 1.00 0.61 H new ATOM 0 HG3 LYS A 117 14.279 -11.969 -10.876 1.00 0.61 H new ATOM 0 HD2 LYS A 117 15.251 -9.867 -9.877 1.00 1.20 H new ATOM 0 HD3 LYS A 117 16.532 -9.929 -11.071 1.00 1.20 H new ATOM 0 HE2 LYS A 117 14.850 -9.799 -12.897 1.00 1.32 H new ATOM 0 HE3 LYS A 117 13.557 -9.769 -11.714 1.00 1.32 H new ATOM 0 HZ1 LYS A 117 14.141 -7.558 -12.534 1.00 1.90 H new ATOM 0 HZ2 LYS A 117 14.384 -7.687 -10.858 1.00 1.90 H new ATOM 0 HZ3 LYS A 117 15.713 -7.729 -11.914 1.00 1.90 H new ATOM 1829 N GLU A 118 16.332 -15.528 -8.076 1.00 0.45 N ATOM 1830 CA GLU A 118 17.140 -16.375 -7.193 1.00 0.49 C ATOM 1831 C GLU A 118 17.818 -15.563 -6.096 1.00 0.45 C ATOM 1832 O GLU A 118 18.814 -15.987 -5.510 1.00 0.55 O ATOM 1833 CB GLU A 118 18.178 -17.153 -8.001 1.00 0.59 C ATOM 1834 CG GLU A 118 17.565 -18.018 -9.089 1.00 1.07 C ATOM 1835 CD GLU A 118 18.600 -18.816 -9.842 1.00 1.72 C ATOM 1836 OE1 GLU A 118 19.300 -18.233 -10.695 1.00 2.54 O ATOM 1837 OE2 GLU A 118 18.727 -20.031 -9.581 1.00 1.89 O ATOM 0 H GLU A 118 15.329 -15.694 -7.998 1.00 0.45 H new ATOM 0 HA GLU A 118 16.466 -17.082 -6.710 1.00 0.49 H new ATOM 0 HB2 GLU A 118 18.876 -16.450 -8.455 1.00 0.59 H new ATOM 0 HB3 GLU A 118 18.755 -17.785 -7.326 1.00 0.59 H new ATOM 0 HG2 GLU A 118 16.840 -18.698 -8.643 1.00 1.07 H new ATOM 0 HG3 GLU A 118 17.019 -17.385 -9.788 1.00 1.07 H new ATOM 1844 N MET A 119 17.246 -14.414 -5.796 1.00 0.35 N ATOM 1845 CA MET A 119 17.759 -13.547 -4.754 1.00 0.33 C ATOM 1846 C MET A 119 16.815 -13.595 -3.561 1.00 0.31 C ATOM 1847 O MET A 119 16.228 -12.586 -3.167 1.00 0.27 O ATOM 1848 CB MET A 119 17.890 -12.113 -5.272 1.00 0.34 C ATOM 1849 CG MET A 119 18.756 -11.992 -6.514 1.00 0.41 C ATOM 1850 SD MET A 119 18.859 -10.302 -7.128 1.00 0.47 S ATOM 1851 CE MET A 119 17.124 -9.921 -7.338 1.00 0.44 C ATOM 0 H MET A 119 16.415 -14.056 -6.266 1.00 0.35 H new ATOM 0 HA MET A 119 18.748 -13.889 -4.449 1.00 0.33 H new ATOM 0 HB2 MET A 119 16.896 -11.723 -5.493 1.00 0.34 H new ATOM 0 HB3 MET A 119 18.310 -11.488 -4.484 1.00 0.34 H new ATOM 0 HG2 MET A 119 19.759 -12.354 -6.289 1.00 0.41 H new ATOM 0 HG3 MET A 119 18.353 -12.635 -7.297 1.00 0.41 H new ATOM 0 HE1 MET A 119 16.965 -9.477 -8.321 1.00 0.44 H new ATOM 0 HE2 MET A 119 16.538 -10.836 -7.255 1.00 0.44 H new ATOM 0 HE3 MET A 119 16.810 -9.218 -6.567 1.00 0.44 H new ATOM 1861 N GLN A 120 16.679 -14.782 -2.992 1.00 0.36 N ATOM 1862 CA GLN A 120 15.715 -15.027 -1.927 1.00 0.39 C ATOM 1863 C GLN A 120 16.162 -14.393 -0.615 1.00 0.41 C ATOM 1864 O GLN A 120 15.407 -14.352 0.353 1.00 0.47 O ATOM 1865 CB GLN A 120 15.501 -16.531 -1.743 1.00 0.49 C ATOM 1866 CG GLN A 120 14.920 -17.220 -2.974 1.00 0.53 C ATOM 1867 CD GLN A 120 14.729 -18.711 -2.780 1.00 0.65 C ATOM 1868 OE1 GLN A 120 14.500 -19.180 -1.667 1.00 0.71 O ATOM 1869 NE2 GLN A 120 14.798 -19.469 -3.865 1.00 0.70 N ATOM 0 H GLN A 120 17.230 -15.600 -3.252 1.00 0.36 H new ATOM 0 HA GLN A 120 14.771 -14.565 -2.217 1.00 0.39 H new ATOM 0 HB2 GLN A 120 16.454 -16.997 -1.492 1.00 0.49 H new ATOM 0 HB3 GLN A 120 14.834 -16.694 -0.897 1.00 0.49 H new ATOM 0 HG2 GLN A 120 13.961 -16.765 -3.220 1.00 0.53 H new ATOM 0 HG3 GLN A 120 15.580 -17.051 -3.824 1.00 0.53 H new ATOM 0 HE21 GLN A 120 14.990 -19.044 -4.772 1.00 0.70 H new ATOM 0 HE22 GLN A 120 14.659 -20.477 -3.793 1.00 0.70 H new ATOM 1878 N VAL A 121 17.393 -13.910 -0.578 1.00 0.39 N ATOM 1879 CA VAL A 121 17.875 -13.168 0.576 1.00 0.44 C ATOM 1880 C VAL A 121 17.600 -11.676 0.413 1.00 0.38 C ATOM 1881 O VAL A 121 17.697 -10.906 1.369 1.00 0.47 O ATOM 1882 CB VAL A 121 19.380 -13.385 0.817 1.00 0.52 C ATOM 1883 CG1 VAL A 121 19.662 -14.833 1.185 1.00 0.98 C ATOM 1884 CG2 VAL A 121 20.182 -12.974 -0.409 1.00 0.92 C ATOM 0 H VAL A 121 18.074 -14.017 -1.330 1.00 0.39 H new ATOM 0 HA VAL A 121 17.333 -13.548 1.442 1.00 0.44 H new ATOM 0 HB VAL A 121 19.688 -12.757 1.653 1.00 0.52 H new ATOM 0 HG11 VAL A 121 20.731 -14.965 1.351 1.00 0.98 H new ATOM 0 HG12 VAL A 121 19.119 -15.090 2.095 1.00 0.98 H new ATOM 0 HG13 VAL A 121 19.338 -15.484 0.373 1.00 0.98 H new ATOM 0 HG21 VAL A 121 21.243 -13.134 -0.220 1.00 0.92 H new ATOM 0 HG22 VAL A 121 19.871 -13.573 -1.265 1.00 0.92 H new ATOM 0 HG23 VAL A 121 20.007 -11.919 -0.622 1.00 0.92 H new ATOM 1894 N LEU A 122 17.245 -11.270 -0.801 1.00 0.30 N ATOM 1895 CA LEU A 122 16.964 -9.871 -1.075 1.00 0.27 C ATOM 1896 C LEU A 122 15.508 -9.534 -0.806 1.00 0.23 C ATOM 1897 O LEU A 122 15.203 -8.434 -0.356 1.00 0.23 O ATOM 1898 CB LEU A 122 17.336 -9.496 -2.510 1.00 0.28 C ATOM 1899 CG LEU A 122 18.770 -8.998 -2.695 1.00 0.37 C ATOM 1900 CD1 LEU A 122 19.770 -10.064 -2.291 1.00 0.39 C ATOM 1901 CD2 LEU A 122 19.000 -8.570 -4.131 1.00 0.41 C ATOM 0 H LEU A 122 17.146 -11.889 -1.606 1.00 0.30 H new ATOM 0 HA LEU A 122 17.583 -9.284 -0.396 1.00 0.27 H new ATOM 0 HB2 LEU A 122 17.184 -10.366 -3.148 1.00 0.28 H new ATOM 0 HB3 LEU A 122 16.651 -8.723 -2.857 1.00 0.28 H new ATOM 0 HG LEU A 122 18.917 -8.134 -2.047 1.00 0.37 H new ATOM 0 HD11 LEU A 122 20.782 -9.685 -2.432 1.00 0.39 H new ATOM 0 HD12 LEU A 122 19.622 -10.323 -1.243 1.00 0.39 H new ATOM 0 HD13 LEU A 122 19.625 -10.951 -2.908 1.00 0.39 H new ATOM 0 HD21 LEU A 122 20.025 -8.218 -4.246 1.00 0.41 H new ATOM 0 HD22 LEU A 122 18.831 -9.418 -4.795 1.00 0.41 H new ATOM 0 HD23 LEU A 122 18.310 -7.766 -4.386 1.00 0.41 H new ATOM 1913 N VAL A 123 14.614 -10.478 -1.066 1.00 0.23 N ATOM 1914 CA VAL A 123 13.191 -10.268 -0.833 1.00 0.25 C ATOM 1915 C VAL A 123 12.920 -9.860 0.616 1.00 0.27 C ATOM 1916 O VAL A 123 12.093 -8.987 0.887 1.00 0.31 O ATOM 1917 CB VAL A 123 12.368 -11.526 -1.194 1.00 0.28 C ATOM 1918 CG1 VAL A 123 12.947 -12.767 -0.543 1.00 0.31 C ATOM 1919 CG2 VAL A 123 10.917 -11.347 -0.793 1.00 0.31 C ATOM 0 H VAL A 123 14.849 -11.398 -1.439 1.00 0.23 H new ATOM 0 HA VAL A 123 12.876 -9.454 -1.486 1.00 0.25 H new ATOM 0 HB VAL A 123 12.418 -11.658 -2.275 1.00 0.28 H new ATOM 0 HG11 VAL A 123 12.346 -13.635 -0.816 1.00 0.31 H new ATOM 0 HG12 VAL A 123 13.972 -12.913 -0.885 1.00 0.31 H new ATOM 0 HG13 VAL A 123 12.940 -12.647 0.540 1.00 0.31 H new ATOM 0 HG21 VAL A 123 10.354 -12.243 -1.055 1.00 0.31 H new ATOM 0 HG22 VAL A 123 10.855 -11.181 0.282 1.00 0.31 H new ATOM 0 HG23 VAL A 123 10.498 -10.488 -1.318 1.00 0.31 H new ATOM 1929 N SER A 124 13.653 -10.464 1.536 1.00 0.29 N ATOM 1930 CA SER A 124 13.480 -10.191 2.950 1.00 0.35 C ATOM 1931 C SER A 124 14.039 -8.818 3.329 1.00 0.34 C ATOM 1932 O SER A 124 13.547 -8.174 4.256 1.00 0.44 O ATOM 1933 CB SER A 124 14.145 -11.298 3.770 1.00 0.43 C ATOM 1934 OG SER A 124 15.390 -11.671 3.199 1.00 1.32 O ATOM 0 H SER A 124 14.377 -11.151 1.326 1.00 0.29 H new ATOM 0 HA SER A 124 12.413 -10.174 3.172 1.00 0.35 H new ATOM 0 HB2 SER A 124 14.297 -10.957 4.794 1.00 0.43 H new ATOM 0 HB3 SER A 124 13.487 -12.166 3.818 1.00 0.43 H new ATOM 0 HG SER A 124 15.799 -12.379 3.740 1.00 1.32 H new ATOM 1940 N ARG A 125 15.058 -8.361 2.609 1.00 0.28 N ATOM 1941 CA ARG A 125 15.661 -7.065 2.904 1.00 0.31 C ATOM 1942 C ARG A 125 14.948 -5.948 2.145 1.00 0.24 C ATOM 1943 O ARG A 125 15.081 -4.775 2.487 1.00 0.24 O ATOM 1944 CB ARG A 125 17.169 -7.066 2.606 1.00 0.41 C ATOM 1945 CG ARG A 125 17.530 -7.117 1.130 1.00 0.91 C ATOM 1946 CD ARG A 125 19.027 -7.323 0.940 1.00 0.74 C ATOM 1947 NE ARG A 125 19.495 -8.533 1.611 1.00 1.01 N ATOM 1948 CZ ARG A 125 20.657 -9.127 1.355 1.00 1.24 C ATOM 1949 NH1 ARG A 125 21.472 -8.635 0.432 1.00 1.28 N ATOM 1950 NH2 ARG A 125 20.995 -10.220 2.027 1.00 1.84 N ATOM 0 H ARG A 125 15.480 -8.861 1.826 1.00 0.28 H new ATOM 0 HA ARG A 125 15.540 -6.877 3.971 1.00 0.31 H new ATOM 0 HB2 ARG A 125 17.611 -6.171 3.043 1.00 0.41 H new ATOM 0 HB3 ARG A 125 17.623 -7.922 3.106 1.00 0.41 H new ATOM 0 HG2 ARG A 125 16.984 -7.927 0.646 1.00 0.91 H new ATOM 0 HG3 ARG A 125 17.222 -6.191 0.645 1.00 0.91 H new ATOM 0 HD2 ARG A 125 19.253 -7.386 -0.124 1.00 0.74 H new ATOM 0 HD3 ARG A 125 19.566 -6.459 1.330 1.00 0.74 H new ATOM 0 HE ARG A 125 18.892 -8.949 2.321 1.00 1.01 H new ATOM 0 HH11 ARG A 125 21.209 -7.797 -0.086 1.00 1.28 H new ATOM 0 HH12 ARG A 125 22.362 -9.095 0.240 1.00 1.28 H new ATOM 0 HH21 ARG A 125 20.365 -10.599 2.734 1.00 1.84 H new ATOM 0 HH22 ARG A 125 21.885 -10.681 1.836 1.00 1.84 H new ATOM 1964 N ILE A 126 14.192 -6.317 1.114 1.00 0.21 N ATOM 1965 CA ILE A 126 13.352 -5.366 0.396 1.00 0.19 C ATOM 1966 C ILE A 126 12.380 -4.688 1.355 1.00 0.19 C ATOM 1967 O ILE A 126 12.248 -3.462 1.361 1.00 0.19 O ATOM 1968 CB ILE A 126 12.575 -6.067 -0.740 1.00 0.19 C ATOM 1969 CG1 ILE A 126 13.524 -6.377 -1.896 1.00 0.20 C ATOM 1970 CG2 ILE A 126 11.402 -5.218 -1.213 1.00 0.20 C ATOM 1971 CD1 ILE A 126 12.885 -7.156 -3.016 1.00 0.23 C ATOM 0 H ILE A 126 14.145 -7.271 0.757 1.00 0.21 H new ATOM 0 HA ILE A 126 13.999 -4.608 -0.046 1.00 0.19 H new ATOM 0 HB ILE A 126 12.165 -7.001 -0.356 1.00 0.19 H new ATOM 0 HG12 ILE A 126 13.914 -5.440 -2.294 1.00 0.20 H new ATOM 0 HG13 ILE A 126 14.375 -6.940 -1.514 1.00 0.20 H new ATOM 0 HG21 ILE A 126 10.875 -5.739 -2.013 1.00 0.20 H new ATOM 0 HG22 ILE A 126 10.719 -5.045 -0.381 1.00 0.20 H new ATOM 0 HG23 ILE A 126 11.771 -4.262 -1.584 1.00 0.20 H new ATOM 0 HD11 ILE A 126 13.621 -7.337 -3.799 1.00 0.23 H new ATOM 0 HD12 ILE A 126 12.519 -8.109 -2.634 1.00 0.23 H new ATOM 0 HD13 ILE A 126 12.052 -6.586 -3.426 1.00 0.23 H new ATOM 1983 N ALA A 127 11.713 -5.499 2.171 1.00 0.22 N ATOM 1984 CA ALA A 127 10.811 -4.990 3.193 1.00 0.25 C ATOM 1985 C ALA A 127 11.535 -4.028 4.126 1.00 0.24 C ATOM 1986 O ALA A 127 10.980 -3.012 4.545 1.00 0.26 O ATOM 1987 CB ALA A 127 10.214 -6.141 3.983 1.00 0.30 C ATOM 0 H ALA A 127 11.783 -6.516 2.142 1.00 0.22 H new ATOM 0 HA ALA A 127 10.007 -4.444 2.700 1.00 0.25 H new ATOM 0 HB1 ALA A 127 9.541 -5.749 4.745 1.00 0.30 H new ATOM 0 HB2 ALA A 127 9.659 -6.795 3.310 1.00 0.30 H new ATOM 0 HB3 ALA A 127 11.013 -6.707 4.462 1.00 0.30 H new ATOM 1993 N ALA A 128 12.785 -4.348 4.427 1.00 0.22 N ATOM 1994 CA ALA A 128 13.601 -3.516 5.294 1.00 0.23 C ATOM 1995 C ALA A 128 13.886 -2.170 4.641 1.00 0.19 C ATOM 1996 O ALA A 128 13.794 -1.129 5.291 1.00 0.19 O ATOM 1997 CB ALA A 128 14.898 -4.226 5.639 1.00 0.27 C ATOM 0 H ALA A 128 13.257 -5.183 4.080 1.00 0.22 H new ATOM 0 HA ALA A 128 13.048 -3.335 6.215 1.00 0.23 H new ATOM 0 HB1 ALA A 128 15.499 -3.590 6.289 1.00 0.27 H new ATOM 0 HB2 ALA A 128 14.675 -5.162 6.152 1.00 0.27 H new ATOM 0 HB3 ALA A 128 15.452 -4.436 4.724 1.00 0.27 H new ATOM 2003 N TRP A 129 14.221 -2.194 3.354 1.00 0.17 N ATOM 2004 CA TRP A 129 14.487 -0.965 2.608 1.00 0.17 C ATOM 2005 C TRP A 129 13.251 -0.082 2.566 1.00 0.15 C ATOM 2006 O TRP A 129 13.334 1.127 2.793 1.00 0.18 O ATOM 2007 CB TRP A 129 14.932 -1.259 1.174 1.00 0.20 C ATOM 2008 CG TRP A 129 16.231 -1.991 1.075 1.00 0.24 C ATOM 2009 CD1 TRP A 129 17.222 -2.046 2.011 1.00 0.27 C ATOM 2010 CD2 TRP A 129 16.685 -2.757 -0.041 1.00 0.31 C ATOM 2011 NE1 TRP A 129 18.264 -2.808 1.545 1.00 0.33 N ATOM 2012 CE2 TRP A 129 17.958 -3.255 0.286 1.00 0.36 C ATOM 2013 CE3 TRP A 129 16.135 -3.070 -1.287 1.00 0.37 C ATOM 2014 CZ2 TRP A 129 18.690 -4.049 -0.590 1.00 0.45 C ATOM 2015 CZ3 TRP A 129 16.861 -3.860 -2.154 1.00 0.47 C ATOM 2016 CH2 TRP A 129 18.127 -4.342 -1.803 1.00 0.50 C ATOM 0 H TRP A 129 14.315 -3.049 2.806 1.00 0.17 H new ATOM 0 HA TRP A 129 15.293 -0.448 3.128 1.00 0.17 H new ATOM 0 HB2 TRP A 129 14.158 -1.845 0.678 1.00 0.20 H new ATOM 0 HB3 TRP A 129 15.016 -0.318 0.631 1.00 0.20 H new ATOM 0 HD1 TRP A 129 17.191 -1.562 2.976 1.00 0.27 H new ATOM 0 HE1 TRP A 129 19.126 -3.009 2.053 1.00 0.33 H new ATOM 0 HE3 TRP A 129 15.159 -2.700 -1.566 1.00 0.37 H new ATOM 0 HZ2 TRP A 129 19.668 -4.421 -0.323 1.00 0.45 H new ATOM 0 HZ3 TRP A 129 16.446 -4.110 -3.119 1.00 0.47 H new ATOM 0 HH2 TRP A 129 18.671 -4.958 -2.504 1.00 0.50 H new ATOM 2027 N MET A 130 12.106 -0.693 2.283 1.00 0.16 N ATOM 2028 CA MET A 130 10.856 0.046 2.199 1.00 0.21 C ATOM 2029 C MET A 130 10.521 0.666 3.542 1.00 0.19 C ATOM 2030 O MET A 130 10.181 1.844 3.623 1.00 0.21 O ATOM 2031 CB MET A 130 9.710 -0.855 1.749 1.00 0.29 C ATOM 2032 CG MET A 130 9.796 -1.313 0.304 1.00 0.33 C ATOM 2033 SD MET A 130 8.383 -2.322 -0.171 1.00 0.71 S ATOM 2034 CE MET A 130 7.038 -1.207 0.223 1.00 0.29 C ATOM 0 H MET A 130 12.019 -1.694 2.109 1.00 0.16 H new ATOM 0 HA MET A 130 10.985 0.835 1.458 1.00 0.21 H new ATOM 0 HB2 MET A 130 9.681 -1.733 2.394 1.00 0.29 H new ATOM 0 HB3 MET A 130 8.769 -0.323 1.893 1.00 0.29 H new ATOM 0 HG2 MET A 130 9.855 -0.442 -0.349 1.00 0.33 H new ATOM 0 HG3 MET A 130 10.713 -1.883 0.159 1.00 0.33 H new ATOM 0 HE1 MET A 130 6.090 -1.671 -0.048 1.00 0.29 H new ATOM 0 HE2 MET A 130 7.045 -0.992 1.292 1.00 0.29 H new ATOM 0 HE3 MET A 130 7.160 -0.278 -0.335 1.00 0.29 H new ATOM 2044 N ALA A 131 10.641 -0.130 4.598 1.00 0.18 N ATOM 2045 CA ALA A 131 10.371 0.342 5.945 1.00 0.20 C ATOM 2046 C ALA A 131 11.314 1.482 6.311 1.00 0.21 C ATOM 2047 O ALA A 131 10.919 2.441 6.967 1.00 0.23 O ATOM 2048 CB ALA A 131 10.503 -0.802 6.935 1.00 0.23 C ATOM 0 H ALA A 131 10.925 -1.108 4.544 1.00 0.18 H new ATOM 0 HA ALA A 131 9.350 0.720 5.985 1.00 0.20 H new ATOM 0 HB1 ALA A 131 10.299 -0.437 7.942 1.00 0.23 H new ATOM 0 HB2 ALA A 131 9.790 -1.587 6.682 1.00 0.23 H new ATOM 0 HB3 ALA A 131 11.515 -1.204 6.893 1.00 0.23 H new ATOM 2054 N THR A 132 12.557 1.370 5.863 1.00 0.22 N ATOM 2055 CA THR A 132 13.554 2.407 6.092 1.00 0.25 C ATOM 2056 C THR A 132 13.145 3.716 5.412 1.00 0.24 C ATOM 2057 O THR A 132 13.022 4.745 6.072 1.00 0.25 O ATOM 2058 CB THR A 132 14.942 1.962 5.582 1.00 0.31 C ATOM 2059 OG1 THR A 132 15.354 0.768 6.261 1.00 0.33 O ATOM 2060 CG2 THR A 132 15.979 3.047 5.805 1.00 0.37 C ATOM 0 H THR A 132 12.900 0.567 5.336 1.00 0.22 H new ATOM 0 HA THR A 132 13.615 2.574 7.167 1.00 0.25 H new ATOM 0 HB THR A 132 14.861 1.770 4.512 1.00 0.31 H new ATOM 0 HG1 THR A 132 15.021 -0.016 5.776 1.00 0.33 H new ATOM 0 HG21 THR A 132 16.947 2.707 5.437 1.00 0.37 H new ATOM 0 HG22 THR A 132 15.683 3.949 5.269 1.00 0.37 H new ATOM 0 HG23 THR A 132 16.053 3.266 6.870 1.00 0.37 H new ATOM 2068 N TYR A 133 12.921 3.667 4.100 1.00 0.23 N ATOM 2069 CA TYR A 133 12.548 4.862 3.342 1.00 0.24 C ATOM 2070 C TYR A 133 11.236 5.447 3.860 1.00 0.21 C ATOM 2071 O TYR A 133 11.107 6.663 4.023 1.00 0.23 O ATOM 2072 CB TYR A 133 12.425 4.535 1.849 1.00 0.27 C ATOM 2073 CG TYR A 133 11.943 5.701 1.010 1.00 0.33 C ATOM 2074 CD1 TYR A 133 12.837 6.631 0.495 1.00 0.42 C ATOM 2075 CD2 TYR A 133 10.592 5.867 0.732 1.00 0.36 C ATOM 2076 CE1 TYR A 133 12.395 7.693 -0.271 1.00 0.50 C ATOM 2077 CE2 TYR A 133 10.144 6.924 -0.031 1.00 0.45 C ATOM 2078 CZ TYR A 133 11.049 7.835 -0.530 1.00 0.51 C ATOM 2079 OH TYR A 133 10.608 8.882 -1.299 1.00 0.61 O ATOM 0 H TYR A 133 12.991 2.817 3.541 1.00 0.23 H new ATOM 0 HA TYR A 133 13.334 5.605 3.476 1.00 0.24 H new ATOM 0 HB2 TYR A 133 13.395 4.207 1.476 1.00 0.27 H new ATOM 0 HB3 TYR A 133 11.736 3.699 1.724 1.00 0.27 H new ATOM 0 HD1 TYR A 133 13.893 6.523 0.696 1.00 0.42 H new ATOM 0 HD2 TYR A 133 9.879 5.155 1.121 1.00 0.36 H new ATOM 0 HE1 TYR A 133 13.101 8.409 -0.665 1.00 0.50 H new ATOM 0 HE2 TYR A 133 9.090 7.037 -0.236 1.00 0.45 H new ATOM 0 HH TYR A 133 10.770 8.684 -2.245 1.00 0.61 H new ATOM 2089 N LEU A 134 10.272 4.571 4.119 1.00 0.20 N ATOM 2090 CA LEU A 134 8.968 4.973 4.625 1.00 0.20 C ATOM 2091 C LEU A 134 9.101 5.680 5.971 1.00 0.21 C ATOM 2092 O LEU A 134 8.534 6.745 6.177 1.00 0.24 O ATOM 2093 CB LEU A 134 8.065 3.737 4.730 1.00 0.20 C ATOM 2094 CG LEU A 134 6.797 3.878 5.576 1.00 0.22 C ATOM 2095 CD1 LEU A 134 5.918 5.003 5.067 1.00 0.26 C ATOM 2096 CD2 LEU A 134 6.026 2.567 5.578 1.00 0.26 C ATOM 0 H LEU A 134 10.373 3.565 3.984 1.00 0.20 H new ATOM 0 HA LEU A 134 8.515 5.683 3.933 1.00 0.20 H new ATOM 0 HB2 LEU A 134 7.770 3.445 3.722 1.00 0.20 H new ATOM 0 HB3 LEU A 134 8.657 2.918 5.139 1.00 0.20 H new ATOM 0 HG LEU A 134 7.094 4.122 6.596 1.00 0.22 H new ATOM 0 HD11 LEU A 134 5.026 5.077 5.689 1.00 0.26 H new ATOM 0 HD12 LEU A 134 6.469 5.943 5.109 1.00 0.26 H new ATOM 0 HD13 LEU A 134 5.626 4.799 4.037 1.00 0.26 H new ATOM 0 HD21 LEU A 134 5.125 2.676 6.182 1.00 0.26 H new ATOM 0 HD22 LEU A 134 5.749 2.306 4.557 1.00 0.26 H new ATOM 0 HD23 LEU A 134 6.651 1.778 5.997 1.00 0.26 H new ATOM 2108 N ASN A 135 9.886 5.107 6.865 1.00 0.24 N ATOM 2109 CA ASN A 135 10.043 5.656 8.208 1.00 0.29 C ATOM 2110 C ASN A 135 10.965 6.879 8.218 1.00 0.30 C ATOM 2111 O ASN A 135 10.849 7.747 9.085 1.00 0.33 O ATOM 2112 CB ASN A 135 10.572 4.565 9.144 1.00 0.37 C ATOM 2113 CG ASN A 135 10.801 5.044 10.566 1.00 0.92 C ATOM 2114 OD1 ASN A 135 9.875 5.077 11.379 1.00 1.17 O ATOM 2115 ND2 ASN A 135 12.041 5.386 10.886 1.00 1.46 N ATOM 0 H ASN A 135 10.427 4.260 6.689 1.00 0.24 H new ATOM 0 HA ASN A 135 9.068 5.993 8.560 1.00 0.29 H new ATOM 0 HB2 ASN A 135 9.865 3.736 9.158 1.00 0.37 H new ATOM 0 HB3 ASN A 135 11.509 4.178 8.744 1.00 0.37 H new ATOM 0 HD21 ASN A 135 12.257 5.691 11.835 1.00 1.46 H new ATOM 0 HD22 ASN A 135 12.779 5.345 10.183 1.00 1.46 H new ATOM 2122 N ASP A 136 11.867 6.961 7.248 1.00 0.32 N ATOM 2123 CA ASP A 136 12.836 8.055 7.212 1.00 0.37 C ATOM 2124 C ASP A 136 12.318 9.253 6.422 1.00 0.34 C ATOM 2125 O ASP A 136 12.182 10.344 6.965 1.00 0.36 O ATOM 2126 CB ASP A 136 14.172 7.593 6.621 1.00 0.46 C ATOM 2127 CG ASP A 136 15.211 8.697 6.627 1.00 1.19 C ATOM 2128 OD1 ASP A 136 15.846 8.924 7.678 1.00 1.27 O ATOM 2129 OD2 ASP A 136 15.401 9.340 5.574 1.00 2.07 O ATOM 0 H ASP A 136 11.950 6.292 6.482 1.00 0.32 H new ATOM 0 HA ASP A 136 12.989 8.366 8.245 1.00 0.37 H new ATOM 0 HB2 ASP A 136 14.545 6.742 7.191 1.00 0.46 H new ATOM 0 HB3 ASP A 136 14.016 7.248 5.599 1.00 0.46 H new ATOM 2134 N HIS A 137 12.028 9.052 5.142 1.00 0.33 N ATOM 2135 CA HIS A 137 11.667 10.168 4.263 1.00 0.35 C ATOM 2136 C HIS A 137 10.168 10.402 4.238 1.00 0.29 C ATOM 2137 O HIS A 137 9.703 11.539 4.270 1.00 0.32 O ATOM 2138 CB HIS A 137 12.148 9.933 2.824 1.00 0.45 C ATOM 2139 CG HIS A 137 13.636 9.869 2.671 1.00 0.63 C ATOM 2140 ND1 HIS A 137 14.414 10.972 2.415 1.00 1.07 N ATOM 2141 CD2 HIS A 137 14.482 8.815 2.711 1.00 1.53 C ATOM 2142 CE1 HIS A 137 15.675 10.603 2.305 1.00 0.95 C ATOM 2143 NE2 HIS A 137 15.745 9.296 2.479 1.00 1.34 N ATOM 0 H HIS A 137 12.034 8.138 4.689 1.00 0.33 H new ATOM 0 HA HIS A 137 12.163 11.048 4.673 1.00 0.35 H new ATOM 0 HB2 HIS A 137 11.717 9.001 2.458 1.00 0.45 H new ATOM 0 HB3 HIS A 137 11.764 10.733 2.191 1.00 0.45 H new ATOM 0 HD2 HIS A 137 14.213 7.785 2.892 1.00 1.53 H new ATOM 0 HE1 HIS A 137 16.510 11.259 2.106 1.00 0.95 H new ATOM 0 HE2 HIS A 137 16.597 8.737 2.446 1.00 1.34 H new ATOM 2152 N LEU A 138 9.416 9.319 4.189 1.00 0.26 N ATOM 2153 CA LEU A 138 7.993 9.393 3.914 1.00 0.25 C ATOM 2154 C LEU A 138 7.198 9.799 5.156 1.00 0.24 C ATOM 2155 O LEU A 138 6.311 10.647 5.077 1.00 0.25 O ATOM 2156 CB LEU A 138 7.523 8.044 3.377 1.00 0.23 C ATOM 2157 CG LEU A 138 6.180 8.052 2.657 1.00 0.23 C ATOM 2158 CD1 LEU A 138 6.194 9.058 1.519 1.00 0.26 C ATOM 2159 CD2 LEU A 138 5.866 6.662 2.133 1.00 0.22 C ATOM 0 H LEU A 138 9.768 8.373 4.337 1.00 0.26 H new ATOM 0 HA LEU A 138 7.817 10.165 3.165 1.00 0.25 H new ATOM 0 HB2 LEU A 138 8.280 7.663 2.692 1.00 0.23 H new ATOM 0 HB3 LEU A 138 7.464 7.343 4.209 1.00 0.23 H new ATOM 0 HG LEU A 138 5.403 8.346 3.363 1.00 0.23 H new ATOM 0 HD11 LEU A 138 5.227 9.051 1.015 1.00 0.26 H new ATOM 0 HD12 LEU A 138 6.389 10.054 1.916 1.00 0.26 H new ATOM 0 HD13 LEU A 138 6.976 8.792 0.808 1.00 0.26 H new ATOM 0 HD21 LEU A 138 4.905 6.675 1.620 1.00 0.22 H new ATOM 0 HD22 LEU A 138 6.645 6.351 1.437 1.00 0.22 H new ATOM 0 HD23 LEU A 138 5.823 5.960 2.966 1.00 0.22 H new ATOM 2171 N GLU A 139 7.535 9.196 6.294 1.00 0.26 N ATOM 2172 CA GLU A 139 6.876 9.484 7.574 1.00 0.29 C ATOM 2173 C GLU A 139 6.760 10.995 7.851 1.00 0.30 C ATOM 2174 O GLU A 139 5.667 11.472 8.163 1.00 0.30 O ATOM 2175 CB GLU A 139 7.624 8.779 8.717 1.00 0.36 C ATOM 2176 CG GLU A 139 7.056 9.042 10.106 1.00 0.52 C ATOM 2177 CD GLU A 139 5.655 8.495 10.292 1.00 1.00 C ATOM 2178 OE1 GLU A 139 5.480 7.262 10.210 1.00 1.46 O ATOM 2179 OE2 GLU A 139 4.723 9.299 10.492 1.00 1.74 O ATOM 0 H GLU A 139 8.272 8.494 6.359 1.00 0.26 H new ATOM 0 HA GLU A 139 5.858 9.098 7.513 1.00 0.29 H new ATOM 0 HB2 GLU A 139 7.613 7.705 8.532 1.00 0.36 H new ATOM 0 HB3 GLU A 139 8.667 9.095 8.700 1.00 0.36 H new ATOM 0 HG2 GLU A 139 7.715 8.596 10.851 1.00 0.52 H new ATOM 0 HG3 GLU A 139 7.047 10.116 10.290 1.00 0.52 H new ATOM 2186 N PRO A 140 7.863 11.782 7.745 1.00 0.33 N ATOM 2187 CA PRO A 140 7.805 13.236 7.948 1.00 0.36 C ATOM 2188 C PRO A 140 6.730 13.907 7.095 1.00 0.31 C ATOM 2189 O PRO A 140 6.043 14.810 7.567 1.00 0.36 O ATOM 2190 CB PRO A 140 9.195 13.720 7.532 1.00 0.42 C ATOM 2191 CG PRO A 140 10.079 12.550 7.765 1.00 0.42 C ATOM 2192 CD PRO A 140 9.244 11.334 7.461 1.00 0.35 C ATOM 0 HA PRO A 140 7.545 13.485 8.977 1.00 0.36 H new ATOM 0 HB2 PRO A 140 9.212 14.029 6.487 1.00 0.42 H new ATOM 0 HB3 PRO A 140 9.510 14.580 8.123 1.00 0.42 H new ATOM 0 HG2 PRO A 140 10.958 12.591 7.122 1.00 0.42 H new ATOM 0 HG3 PRO A 140 10.437 12.530 8.794 1.00 0.42 H new ATOM 0 HD2 PRO A 140 9.358 11.018 6.424 1.00 0.35 H new ATOM 0 HD3 PRO A 140 9.527 10.487 8.085 1.00 0.35 H new ATOM 2200 N TRP A 141 6.575 13.458 5.850 1.00 0.28 N ATOM 2201 CA TRP A 141 5.577 14.038 4.960 1.00 0.25 C ATOM 2202 C TRP A 141 4.183 13.549 5.339 1.00 0.22 C ATOM 2203 O TRP A 141 3.225 14.329 5.372 1.00 0.22 O ATOM 2204 CB TRP A 141 5.870 13.691 3.492 1.00 0.29 C ATOM 2205 CG TRP A 141 4.963 14.414 2.545 1.00 0.29 C ATOM 2206 CD1 TRP A 141 5.171 15.644 1.995 1.00 0.32 C ATOM 2207 CD2 TRP A 141 3.696 13.961 2.051 1.00 0.30 C ATOM 2208 NE1 TRP A 141 4.112 15.986 1.195 1.00 0.35 N ATOM 2209 CE2 TRP A 141 3.193 14.971 1.211 1.00 0.33 C ATOM 2210 CE3 TRP A 141 2.938 12.800 2.237 1.00 0.31 C ATOM 2211 CZ2 TRP A 141 1.966 14.857 0.563 1.00 0.36 C ATOM 2212 CZ3 TRP A 141 1.721 12.689 1.592 1.00 0.35 C ATOM 2213 CH2 TRP A 141 1.246 13.711 0.764 1.00 0.36 C ATOM 0 H TRP A 141 7.123 12.702 5.440 1.00 0.28 H new ATOM 0 HA TRP A 141 5.621 15.121 5.070 1.00 0.25 H new ATOM 0 HB2 TRP A 141 6.906 13.941 3.262 1.00 0.29 H new ATOM 0 HB3 TRP A 141 5.761 12.616 3.346 1.00 0.29 H new ATOM 0 HD1 TRP A 141 6.043 16.259 2.165 1.00 0.32 H new ATOM 0 HE1 TRP A 141 4.023 16.857 0.672 1.00 0.35 H new ATOM 0 HE3 TRP A 141 3.298 12.005 2.873 1.00 0.31 H new ATOM 0 HZ2 TRP A 141 1.596 15.645 -0.076 1.00 0.36 H new ATOM 0 HZ3 TRP A 141 1.127 11.798 1.730 1.00 0.35 H new ATOM 0 HH2 TRP A 141 0.291 13.593 0.273 1.00 0.36 H new ATOM 2224 N ILE A 142 4.081 12.258 5.633 1.00 0.20 N ATOM 2225 CA ILE A 142 2.816 11.641 6.001 1.00 0.19 C ATOM 2226 C ILE A 142 2.221 12.322 7.228 1.00 0.20 C ATOM 2227 O ILE A 142 1.126 12.885 7.165 1.00 0.20 O ATOM 2228 CB ILE A 142 3.001 10.132 6.281 1.00 0.21 C ATOM 2229 CG1 ILE A 142 3.426 9.399 5.008 1.00 0.21 C ATOM 2230 CG2 ILE A 142 1.723 9.520 6.832 1.00 0.25 C ATOM 2231 CD1 ILE A 142 3.769 7.948 5.242 1.00 0.23 C ATOM 0 H ILE A 142 4.871 11.613 5.623 1.00 0.20 H new ATOM 0 HA ILE A 142 2.131 11.761 5.162 1.00 0.19 H new ATOM 0 HB ILE A 142 3.786 10.024 7.030 1.00 0.21 H new ATOM 0 HG12 ILE A 142 2.622 9.462 4.275 1.00 0.21 H new ATOM 0 HG13 ILE A 142 4.290 9.905 4.577 1.00 0.21 H new ATOM 0 HG21 ILE A 142 1.880 8.458 7.020 1.00 0.25 H new ATOM 0 HG22 ILE A 142 1.453 10.018 7.763 1.00 0.25 H new ATOM 0 HG23 ILE A 142 0.918 9.645 6.108 1.00 0.25 H new ATOM 0 HD11 ILE A 142 4.062 7.487 4.299 1.00 0.23 H new ATOM 0 HD12 ILE A 142 4.594 7.879 5.951 1.00 0.23 H new ATOM 0 HD13 ILE A 142 2.899 7.429 5.645 1.00 0.23 H new ATOM 2243 N GLN A 143 2.957 12.288 8.334 1.00 0.25 N ATOM 2244 CA GLN A 143 2.480 12.848 9.590 1.00 0.30 C ATOM 2245 C GLN A 143 2.264 14.356 9.470 1.00 0.29 C ATOM 2246 O GLN A 143 1.387 14.917 10.127 1.00 0.31 O ATOM 2247 CB GLN A 143 3.469 12.542 10.718 1.00 0.40 C ATOM 2248 CG GLN A 143 2.919 12.841 12.106 1.00 0.51 C ATOM 2249 CD GLN A 143 1.658 12.048 12.416 1.00 0.95 C ATOM 2250 OE1 GLN A 143 1.479 10.931 11.930 1.00 1.51 O ATOM 2251 NE2 GLN A 143 0.769 12.618 13.217 1.00 1.60 N ATOM 0 H GLN A 143 3.889 11.877 8.384 1.00 0.25 H new ATOM 0 HA GLN A 143 1.522 12.385 9.826 1.00 0.30 H new ATOM 0 HB2 GLN A 143 3.752 11.491 10.667 1.00 0.40 H new ATOM 0 HB3 GLN A 143 4.377 13.125 10.562 1.00 0.40 H new ATOM 0 HG2 GLN A 143 3.680 12.613 12.852 1.00 0.51 H new ATOM 0 HG3 GLN A 143 2.703 13.906 12.186 1.00 0.51 H new ATOM 0 HE21 GLN A 143 0.950 13.545 13.602 1.00 1.60 H new ATOM 0 HE22 GLN A 143 -0.096 12.130 13.448 1.00 1.60 H new ATOM 2260 N GLU A 144 3.053 15.005 8.617 1.00 0.29 N ATOM 2261 CA GLU A 144 2.922 16.444 8.383 1.00 0.33 C ATOM 2262 C GLU A 144 1.527 16.789 7.870 1.00 0.29 C ATOM 2263 O GLU A 144 0.960 17.824 8.223 1.00 0.35 O ATOM 2264 CB GLU A 144 3.975 16.923 7.380 1.00 0.41 C ATOM 2265 CG GLU A 144 3.864 18.396 7.024 1.00 0.64 C ATOM 2266 CD GLU A 144 4.940 18.842 6.057 1.00 1.09 C ATOM 2267 OE1 GLU A 144 6.029 19.242 6.514 1.00 1.25 O ATOM 2268 OE2 GLU A 144 4.703 18.791 4.830 1.00 1.75 O ATOM 0 H GLU A 144 3.792 14.557 8.075 1.00 0.29 H new ATOM 0 HA GLU A 144 3.079 16.952 9.334 1.00 0.33 H new ATOM 0 HB2 GLU A 144 4.966 16.733 7.791 1.00 0.41 H new ATOM 0 HB3 GLU A 144 3.889 16.332 6.468 1.00 0.41 H new ATOM 0 HG2 GLU A 144 2.884 18.588 6.586 1.00 0.64 H new ATOM 0 HG3 GLU A 144 3.928 18.992 7.934 1.00 0.64 H new ATOM 2275 N ASN A 145 0.971 15.913 7.044 1.00 0.24 N ATOM 2276 CA ASN A 145 -0.353 16.141 6.476 1.00 0.28 C ATOM 2277 C ASN A 145 -1.437 15.501 7.332 1.00 0.30 C ATOM 2278 O ASN A 145 -2.595 15.436 6.929 1.00 0.42 O ATOM 2279 CB ASN A 145 -0.434 15.614 5.036 1.00 0.32 C ATOM 2280 CG ASN A 145 0.321 16.489 4.048 1.00 0.34 C ATOM 2281 OD1 ASN A 145 -0.236 17.442 3.497 1.00 0.40 O ATOM 2282 ND2 ASN A 145 1.588 16.176 3.805 1.00 0.33 N ATOM 0 H ASN A 145 1.413 15.041 6.753 1.00 0.24 H new ATOM 0 HA ASN A 145 -0.520 17.218 6.460 1.00 0.28 H new ATOM 0 HB2 ASN A 145 -0.031 14.602 5.001 1.00 0.32 H new ATOM 0 HB3 ASN A 145 -1.480 15.551 4.735 1.00 0.32 H new ATOM 0 HD21 ASN A 145 2.133 16.731 3.145 1.00 0.33 H new ATOM 0 HD22 ASN A 145 2.017 15.381 4.279 1.00 0.33 H new ATOM 2289 N GLY A 146 -1.061 15.040 8.518 1.00 0.25 N ATOM 2290 CA GLY A 146 -2.031 14.478 9.437 1.00 0.30 C ATOM 2291 C GLY A 146 -1.690 13.063 9.851 1.00 0.30 C ATOM 2292 O GLY A 146 -2.008 12.636 10.963 1.00 0.41 O ATOM 0 H GLY A 146 -0.100 15.045 8.860 1.00 0.25 H new ATOM 0 HA2 GLY A 146 -2.092 15.107 10.325 1.00 0.30 H new ATOM 0 HA3 GLY A 146 -3.016 14.489 8.971 1.00 0.30 H new ATOM 2296 N GLY A 147 -1.036 12.337 8.961 1.00 0.24 N ATOM 2297 CA GLY A 147 -0.671 10.969 9.242 1.00 0.22 C ATOM 2298 C GLY A 147 -1.423 10.002 8.358 1.00 0.19 C ATOM 2299 O GLY A 147 -2.064 10.412 7.385 1.00 0.20 O ATOM 0 H GLY A 147 -0.750 12.675 8.042 1.00 0.24 H new ATOM 0 HA2 GLY A 147 0.401 10.840 9.094 1.00 0.22 H new ATOM 0 HA3 GLY A 147 -0.878 10.744 10.288 1.00 0.22 H new ATOM 2303 N TRP A 148 -1.356 8.722 8.688 1.00 0.20 N ATOM 2304 CA TRP A 148 -2.060 7.703 7.925 1.00 0.21 C ATOM 2305 C TRP A 148 -3.569 7.909 7.980 1.00 0.23 C ATOM 2306 O TRP A 148 -4.276 7.534 7.050 1.00 0.25 O ATOM 2307 CB TRP A 148 -1.710 6.302 8.427 1.00 0.23 C ATOM 2308 CG TRP A 148 -0.331 5.857 8.044 1.00 0.23 C ATOM 2309 CD1 TRP A 148 0.712 5.577 8.882 1.00 0.28 C ATOM 2310 CD2 TRP A 148 0.158 5.643 6.715 1.00 0.22 C ATOM 2311 NE1 TRP A 148 1.809 5.186 8.154 1.00 0.29 N ATOM 2312 CE2 TRP A 148 1.494 5.221 6.823 1.00 0.25 C ATOM 2313 CE3 TRP A 148 -0.409 5.760 5.442 1.00 0.22 C ATOM 2314 CZ2 TRP A 148 2.273 4.917 5.713 1.00 0.26 C ATOM 2315 CZ3 TRP A 148 0.366 5.460 4.338 1.00 0.23 C ATOM 2316 CH2 TRP A 148 1.695 5.040 4.482 1.00 0.24 C ATOM 0 H TRP A 148 -0.821 8.364 9.479 1.00 0.20 H new ATOM 0 HA TRP A 148 -1.737 7.797 6.888 1.00 0.21 H new ATOM 0 HB2 TRP A 148 -1.802 6.280 9.513 1.00 0.23 H new ATOM 0 HB3 TRP A 148 -2.436 5.591 8.032 1.00 0.23 H new ATOM 0 HD1 TRP A 148 0.678 5.652 9.959 1.00 0.28 H new ATOM 0 HE1 TRP A 148 2.712 4.914 8.543 1.00 0.29 H new ATOM 0 HE3 TRP A 148 -1.434 6.079 5.324 1.00 0.22 H new ATOM 0 HZ2 TRP A 148 3.298 4.595 5.820 1.00 0.26 H new ATOM 0 HZ3 TRP A 148 -0.059 5.551 3.349 1.00 0.23 H new ATOM 0 HH2 TRP A 148 2.275 4.809 3.601 1.00 0.24 H new ATOM 2327 N ASP A 149 -4.056 8.518 9.063 1.00 0.26 N ATOM 2328 CA ASP A 149 -5.492 8.797 9.219 1.00 0.31 C ATOM 2329 C ASP A 149 -6.044 9.549 8.013 1.00 0.30 C ATOM 2330 O ASP A 149 -7.194 9.353 7.619 1.00 0.37 O ATOM 2331 CB ASP A 149 -5.767 9.608 10.490 1.00 0.40 C ATOM 2332 CG ASP A 149 -5.677 8.776 11.750 1.00 1.24 C ATOM 2333 OD1 ASP A 149 -6.693 8.160 12.134 1.00 1.96 O ATOM 2334 OD2 ASP A 149 -4.595 8.741 12.371 1.00 1.94 O ATOM 0 H ASP A 149 -3.481 8.829 9.846 1.00 0.26 H new ATOM 0 HA ASP A 149 -5.995 7.833 9.297 1.00 0.31 H new ATOM 0 HB2 ASP A 149 -5.054 10.430 10.552 1.00 0.40 H new ATOM 0 HB3 ASP A 149 -6.760 10.052 10.424 1.00 0.40 H new ATOM 2339 N THR A 150 -5.218 10.401 7.428 1.00 0.27 N ATOM 2340 CA THR A 150 -5.601 11.155 6.247 1.00 0.29 C ATOM 2341 C THR A 150 -5.724 10.225 5.044 1.00 0.28 C ATOM 2342 O THR A 150 -6.733 10.228 4.337 1.00 0.33 O ATOM 2343 CB THR A 150 -4.553 12.241 5.950 1.00 0.33 C ATOM 2344 OG1 THR A 150 -4.248 12.955 7.154 1.00 0.38 O ATOM 2345 CG2 THR A 150 -5.058 13.212 4.893 1.00 0.37 C ATOM 0 H THR A 150 -4.270 10.588 7.756 1.00 0.27 H new ATOM 0 HA THR A 150 -6.566 11.627 6.435 1.00 0.29 H new ATOM 0 HB THR A 150 -3.654 11.757 5.569 1.00 0.33 H new ATOM 0 HG1 THR A 150 -3.703 13.741 6.939 1.00 0.38 H new ATOM 0 HG21 THR A 150 -4.298 13.969 4.702 1.00 0.37 H new ATOM 0 HG22 THR A 150 -5.269 12.669 3.972 1.00 0.37 H new ATOM 0 HG23 THR A 150 -5.969 13.694 5.247 1.00 0.37 H new ATOM 2353 N PHE A 151 -4.694 9.413 4.838 1.00 0.24 N ATOM 2354 CA PHE A 151 -4.630 8.515 3.693 1.00 0.25 C ATOM 2355 C PHE A 151 -5.712 7.438 3.771 1.00 0.26 C ATOM 2356 O PHE A 151 -6.359 7.124 2.769 1.00 0.30 O ATOM 2357 CB PHE A 151 -3.246 7.865 3.612 1.00 0.25 C ATOM 2358 CG PHE A 151 -3.077 6.970 2.421 1.00 0.27 C ATOM 2359 CD1 PHE A 151 -2.861 7.507 1.166 1.00 0.39 C ATOM 2360 CD2 PHE A 151 -3.138 5.594 2.554 1.00 0.26 C ATOM 2361 CE1 PHE A 151 -2.709 6.691 0.066 1.00 0.43 C ATOM 2362 CE2 PHE A 151 -2.987 4.772 1.458 1.00 0.28 C ATOM 2363 CZ PHE A 151 -2.772 5.319 0.211 1.00 0.34 C ATOM 0 H PHE A 151 -3.885 9.359 5.456 1.00 0.24 H new ATOM 0 HA PHE A 151 -4.805 9.104 2.792 1.00 0.25 H new ATOM 0 HB2 PHE A 151 -2.487 8.647 3.580 1.00 0.25 H new ATOM 0 HB3 PHE A 151 -3.071 7.287 4.519 1.00 0.25 H new ATOM 0 HD1 PHE A 151 -2.811 8.579 1.046 1.00 0.39 H new ATOM 0 HD2 PHE A 151 -3.306 5.159 3.528 1.00 0.26 H new ATOM 0 HE1 PHE A 151 -2.541 7.124 -0.909 1.00 0.43 H new ATOM 0 HE2 PHE A 151 -3.037 3.700 1.576 1.00 0.28 H new ATOM 0 HZ PHE A 151 -2.653 4.677 -0.649 1.00 0.34 H new ATOM 2373 N VAL A 152 -5.912 6.887 4.966 1.00 0.25 N ATOM 2374 CA VAL A 152 -6.900 5.834 5.175 1.00 0.29 C ATOM 2375 C VAL A 152 -8.306 6.355 4.904 1.00 0.35 C ATOM 2376 O VAL A 152 -9.188 5.611 4.492 1.00 0.45 O ATOM 2377 CB VAL A 152 -6.822 5.261 6.605 1.00 0.29 C ATOM 2378 CG1 VAL A 152 -7.851 4.162 6.812 1.00 0.35 C ATOM 2379 CG2 VAL A 152 -5.428 4.734 6.888 1.00 0.28 C ATOM 0 H VAL A 152 -5.400 7.154 5.807 1.00 0.25 H new ATOM 0 HA VAL A 152 -6.674 5.032 4.473 1.00 0.29 H new ATOM 0 HB VAL A 152 -7.043 6.069 7.303 1.00 0.29 H new ATOM 0 HG11 VAL A 152 -7.773 3.777 7.829 1.00 0.35 H new ATOM 0 HG12 VAL A 152 -8.851 4.565 6.653 1.00 0.35 H new ATOM 0 HG13 VAL A 152 -7.668 3.354 6.103 1.00 0.35 H new ATOM 0 HG21 VAL A 152 -5.389 4.333 7.901 1.00 0.28 H new ATOM 0 HG22 VAL A 152 -5.186 3.945 6.176 1.00 0.28 H new ATOM 0 HG23 VAL A 152 -4.706 5.545 6.791 1.00 0.28 H new ATOM 2389 N GLU A 153 -8.500 7.642 5.128 1.00 0.37 N ATOM 2390 CA GLU A 153 -9.768 8.279 4.824 1.00 0.46 C ATOM 2391 C GLU A 153 -10.009 8.291 3.314 1.00 0.51 C ATOM 2392 O GLU A 153 -11.079 7.903 2.840 1.00 0.62 O ATOM 2393 CB GLU A 153 -9.786 9.705 5.375 1.00 0.52 C ATOM 2394 CG GLU A 153 -11.085 10.447 5.117 1.00 0.70 C ATOM 2395 CD GLU A 153 -12.278 9.770 5.758 1.00 1.35 C ATOM 2396 OE1 GLU A 153 -12.842 8.846 5.140 1.00 2.17 O ATOM 2397 OE2 GLU A 153 -12.655 10.156 6.882 1.00 1.42 O ATOM 0 H GLU A 153 -7.795 8.267 5.520 1.00 0.37 H new ATOM 0 HA GLU A 153 -10.568 7.710 5.298 1.00 0.46 H new ATOM 0 HB2 GLU A 153 -9.605 9.671 6.449 1.00 0.52 H new ATOM 0 HB3 GLU A 153 -8.964 10.266 4.931 1.00 0.52 H new ATOM 0 HG2 GLU A 153 -11.000 11.464 5.499 1.00 0.70 H new ATOM 0 HG3 GLU A 153 -11.249 10.523 4.042 1.00 0.70 H new ATOM 2404 N LEU A 154 -8.987 8.699 2.566 1.00 0.50 N ATOM 2405 CA LEU A 154 -9.107 8.880 1.122 1.00 0.59 C ATOM 2406 C LEU A 154 -9.388 7.562 0.401 1.00 0.68 C ATOM 2407 O LEU A 154 -10.211 7.516 -0.511 1.00 0.74 O ATOM 2408 CB LEU A 154 -7.838 9.526 0.556 1.00 0.65 C ATOM 2409 CG LEU A 154 -7.511 10.909 1.119 1.00 0.64 C ATOM 2410 CD1 LEU A 154 -6.209 11.427 0.532 1.00 0.75 C ATOM 2411 CD2 LEU A 154 -8.646 11.882 0.834 1.00 0.67 C ATOM 0 H LEU A 154 -8.062 8.912 2.939 1.00 0.50 H new ATOM 0 HA LEU A 154 -9.957 9.541 0.949 1.00 0.59 H new ATOM 0 HB2 LEU A 154 -6.994 8.863 0.748 1.00 0.65 H new ATOM 0 HB3 LEU A 154 -7.941 9.606 -0.526 1.00 0.65 H new ATOM 0 HG LEU A 154 -7.393 10.822 2.199 1.00 0.64 H new ATOM 0 HD11 LEU A 154 -5.991 12.413 0.943 1.00 0.75 H new ATOM 0 HD12 LEU A 154 -5.399 10.742 0.783 1.00 0.75 H new ATOM 0 HD13 LEU A 154 -6.302 11.499 -0.552 1.00 0.75 H new ATOM 0 HD21 LEU A 154 -8.396 12.862 1.242 1.00 0.67 H new ATOM 0 HD22 LEU A 154 -8.793 11.964 -0.243 1.00 0.67 H new ATOM 0 HD23 LEU A 154 -9.562 11.518 1.299 1.00 0.67 H new ATOM 2444 N GLY A 156 -10.365 4.800 2.044 1.00 0.89 N ATOM 2445 CA GLY A 156 -11.184 3.993 2.924 1.00 1.02 C ATOM 2446 C GLY A 156 -12.657 4.237 2.700 1.00 1.11 C ATOM 2447 O GLY A 156 -13.232 3.754 1.722 1.00 1.68 O ATOM 0 HA2 GLY A 156 -10.962 2.938 2.762 1.00 1.02 H new ATOM 0 HA3 GLY A 156 -10.932 4.216 3.961 1.00 1.02 H new ATOM 2451 N ASN A 157 -13.266 5.011 3.587 1.00 1.62 N ATOM 2452 CA ASN A 157 -14.690 5.309 3.497 1.00 2.05 C ATOM 2453 C ASN A 157 -14.984 6.176 2.277 1.00 2.33 C ATOM 2454 O ASN A 157 -16.046 6.058 1.665 1.00 2.52 O ATOM 2455 CB ASN A 157 -15.189 5.997 4.775 1.00 3.21 C ATOM 2456 CG ASN A 157 -15.121 5.096 5.998 1.00 3.90 C ATOM 2457 OD1 ASN A 157 -14.245 4.239 6.114 1.00 4.30 O ATOM 2458 ND2 ASN A 157 -16.053 5.279 6.918 1.00 4.60 N ATOM 0 H ASN A 157 -12.795 5.446 4.380 1.00 1.62 H new ATOM 0 HA ASN A 157 -15.224 4.365 3.387 1.00 2.05 H new ATOM 0 HB2 ASN A 157 -14.594 6.892 4.956 1.00 3.21 H new ATOM 0 HB3 ASN A 157 -16.218 6.324 4.627 1.00 3.21 H new ATOM 0 HD21 ASN A 157 -16.061 4.700 7.758 1.00 4.60 H new ATOM 0 HD22 ASN A 157 -16.763 5.999 6.788 1.00 4.60 H new ATOM 2465 N ASN A 158 -14.033 7.034 1.914 1.00 2.99 N ATOM 2466 CA ASN A 158 -14.167 7.871 0.722 1.00 4.03 C ATOM 2467 C ASN A 158 -14.316 6.998 -0.521 1.00 4.18 C ATOM 2468 O ASN A 158 -15.250 7.169 -1.310 1.00 4.81 O ATOM 2469 CB ASN A 158 -12.943 8.775 0.560 1.00 5.08 C ATOM 2470 CG ASN A 158 -13.066 9.728 -0.616 1.00 5.98 C ATOM 2471 OD1 ASN A 158 -14.149 10.233 -0.912 1.00 6.22 O ATOM 2472 ND2 ASN A 158 -11.963 9.958 -1.310 1.00 6.76 N ATOM 0 H ASN A 158 -13.162 7.168 2.427 1.00 2.99 H new ATOM 0 HA ASN A 158 -15.056 8.491 0.840 1.00 4.03 H new ATOM 0 HB2 ASN A 158 -12.799 9.350 1.474 1.00 5.08 H new ATOM 0 HB3 ASN A 158 -12.055 8.156 0.429 1.00 5.08 H new ATOM 0 HD21 ASN A 158 -11.991 10.573 -2.123 1.00 6.76 H new ATOM 0 HD22 ASN A 158 -11.085 9.520 -1.032 1.00 6.76 H new ATOM 2479 N ALA A 159 -13.395 6.051 -0.675 1.00 3.95 N ATOM 2480 CA ALA A 159 -13.405 5.140 -1.809 1.00 4.72 C ATOM 2481 C ALA A 159 -14.632 4.240 -1.772 1.00 4.66 C ATOM 2482 O ALA A 159 -15.224 3.943 -2.809 1.00 5.63 O ATOM 2483 CB ALA A 159 -12.137 4.303 -1.822 1.00 4.78 C ATOM 0 H ALA A 159 -12.627 5.896 -0.021 1.00 3.95 H new ATOM 0 HA ALA A 159 -13.446 5.733 -2.723 1.00 4.72 H new ATOM 0 HB1 ALA A 159 -12.157 3.625 -2.676 1.00 4.78 H new ATOM 0 HB2 ALA A 159 -11.269 4.958 -1.899 1.00 4.78 H new ATOM 0 HB3 ALA A 159 -12.074 3.724 -0.901 1.00 4.78 H new ATOM 2489 N ALA A 160 -15.005 3.810 -0.570 1.00 3.75 N ATOM 2490 CA ALA A 160 -16.182 2.971 -0.382 1.00 4.08 C ATOM 2491 C ALA A 160 -17.447 3.694 -0.831 1.00 4.33 C ATOM 2492 O ALA A 160 -18.310 3.101 -1.474 1.00 5.11 O ATOM 2493 CB ALA A 160 -16.303 2.546 1.071 1.00 3.59 C ATOM 0 H ALA A 160 -14.506 4.031 0.292 1.00 3.75 H new ATOM 0 HA ALA A 160 -16.064 2.080 -0.999 1.00 4.08 H new ATOM 0 HB1 ALA A 160 -17.187 1.920 1.195 1.00 3.59 H new ATOM 0 HB2 ALA A 160 -15.416 1.982 1.360 1.00 3.59 H new ATOM 0 HB3 ALA A 160 -16.393 3.430 1.702 1.00 3.59 H new ATOM 2499 N ALA A 161 -17.545 4.976 -0.499 1.00 3.93 N ATOM 2500 CA ALA A 161 -18.685 5.787 -0.911 1.00 4.43 C ATOM 2501 C ALA A 161 -18.760 5.874 -2.434 1.00 5.54 C ATOM 2502 O ALA A 161 -19.840 5.792 -3.018 1.00 6.11 O ATOM 2503 CB ALA A 161 -18.602 7.175 -0.295 1.00 4.39 C ATOM 0 H ALA A 161 -16.849 5.476 0.054 1.00 3.93 H new ATOM 0 HA ALA A 161 -19.596 5.308 -0.553 1.00 4.43 H new ATOM 0 HB1 ALA A 161 -19.461 7.766 -0.613 1.00 4.39 H new ATOM 0 HB2 ALA A 161 -18.602 7.091 0.792 1.00 4.39 H new ATOM 0 HB3 ALA A 161 -17.684 7.664 -0.621 1.00 4.39 H new ATOM 2509 N GLU A 162 -17.602 6.013 -3.076 1.00 5.98 N ATOM 2510 CA GLU A 162 -17.545 6.047 -4.532 1.00 7.23 C ATOM 2511 C GLU A 162 -17.842 4.667 -5.110 1.00 7.80 C ATOM 2512 O GLU A 162 -18.396 4.546 -6.199 1.00 8.75 O ATOM 2513 CB GLU A 162 -16.180 6.541 -5.017 1.00 7.72 C ATOM 2514 CG GLU A 162 -15.863 7.961 -4.581 1.00 7.99 C ATOM 2515 CD GLU A 162 -14.827 8.625 -5.464 1.00 8.68 C ATOM 2516 OE1 GLU A 162 -15.123 8.909 -6.644 1.00 9.03 O ATOM 2517 OE2 GLU A 162 -13.695 8.842 -4.983 1.00 9.09 O ATOM 0 H GLU A 162 -16.698 6.103 -2.613 1.00 5.98 H new ATOM 0 HA GLU A 162 -18.305 6.746 -4.882 1.00 7.23 H new ATOM 0 HB2 GLU A 162 -15.405 5.872 -4.642 1.00 7.72 H new ATOM 0 HB3 GLU A 162 -16.148 6.487 -6.105 1.00 7.72 H new ATOM 0 HG2 GLU A 162 -16.778 8.553 -4.593 1.00 7.99 H new ATOM 0 HG3 GLU A 162 -15.504 7.949 -3.552 1.00 7.99 H new ATOM 2524 N SER A 163 -17.484 3.628 -4.364 1.00 7.39 N ATOM 2525 CA SER A 163 -17.789 2.259 -4.756 1.00 8.21 C ATOM 2526 C SER A 163 -19.299 2.022 -4.708 1.00 8.28 C ATOM 2527 O SER A 163 -19.845 1.259 -5.510 1.00 9.15 O ATOM 2528 CB SER A 163 -17.052 1.270 -3.845 1.00 8.03 C ATOM 2529 OG SER A 163 -17.337 -0.075 -4.194 1.00 7.86 O ATOM 0 H SER A 163 -16.980 3.710 -3.481 1.00 7.39 H new ATOM 0 HA SER A 163 -17.449 2.099 -5.779 1.00 8.21 H new ATOM 0 HB2 SER A 163 -15.978 1.444 -3.912 1.00 8.03 H new ATOM 0 HB3 SER A 163 -17.339 1.446 -2.808 1.00 8.03 H new ATOM 0 HG SER A 163 -16.850 -0.679 -3.595 1.00 7.86 H new ATOM 2535 N ARG A 164 -19.971 2.685 -3.771 1.00 7.47 N ATOM 2536 CA ARG A 164 -21.427 2.633 -3.691 1.00 7.60 C ATOM 2537 C ARG A 164 -22.036 3.351 -4.890 1.00 8.33 C ATOM 2538 O ARG A 164 -23.009 2.885 -5.480 1.00 8.87 O ATOM 2539 CB ARG A 164 -21.922 3.257 -2.385 1.00 6.69 C ATOM 2540 CG ARG A 164 -21.431 2.528 -1.145 1.00 6.19 C ATOM 2541 CD ARG A 164 -21.928 3.187 0.131 1.00 5.74 C ATOM 2542 NE ARG A 164 -23.380 3.100 0.270 1.00 5.66 N ATOM 2543 CZ ARG A 164 -24.054 3.547 1.329 1.00 5.62 C ATOM 2544 NH1 ARG A 164 -23.412 4.119 2.340 1.00 5.62 N ATOM 2545 NH2 ARG A 164 -25.374 3.422 1.377 1.00 6.02 N ATOM 0 H ARG A 164 -19.530 3.264 -3.057 1.00 7.47 H new ATOM 0 HA ARG A 164 -21.741 1.589 -3.705 1.00 7.60 H new ATOM 0 HB2 ARG A 164 -21.595 4.296 -2.340 1.00 6.69 H new ATOM 0 HB3 ARG A 164 -23.012 3.266 -2.385 1.00 6.69 H new ATOM 0 HG2 ARG A 164 -21.769 1.492 -1.175 1.00 6.19 H new ATOM 0 HG3 ARG A 164 -20.341 2.508 -1.143 1.00 6.19 H new ATOM 0 HD2 ARG A 164 -21.454 2.713 0.991 1.00 5.74 H new ATOM 0 HD3 ARG A 164 -21.627 4.234 0.138 1.00 5.74 H new ATOM 0 HE ARG A 164 -23.909 2.671 -0.489 1.00 5.66 H new ATOM 0 HH11 ARG A 164 -22.397 4.218 2.309 1.00 5.62 H new ATOM 0 HH12 ARG A 164 -23.933 4.459 3.148 1.00 5.62 H new ATOM 0 HH21 ARG A 164 -25.873 2.984 0.603 1.00 6.02 H new ATOM 0 HH22 ARG A 164 -25.890 3.764 2.188 1.00 6.02 H new ATOM 2559 N LYS A 165 -21.435 4.480 -5.263 1.00 8.52 N ATOM 2560 CA LYS A 165 -21.814 5.180 -6.486 1.00 9.41 C ATOM 2561 C LYS A 165 -21.566 4.281 -7.694 1.00 10.47 C ATOM 2562 O LYS A 165 -22.264 4.369 -8.708 1.00 11.24 O ATOM 2563 CB LYS A 165 -21.020 6.480 -6.640 1.00 9.61 C ATOM 2564 CG LYS A 165 -21.322 7.525 -5.578 1.00 9.69 C ATOM 2565 CD LYS A 165 -22.777 7.962 -5.623 1.00 10.12 C ATOM 2566 CE LYS A 165 -23.046 9.114 -4.666 1.00 10.34 C ATOM 2567 NZ LYS A 165 -22.641 8.790 -3.274 1.00 10.42 N ATOM 0 H LYS A 165 -20.685 4.928 -4.736 1.00 8.52 H new ATOM 0 HA LYS A 165 -22.874 5.427 -6.425 1.00 9.41 H new ATOM 0 HB2 LYS A 165 -19.955 6.248 -6.612 1.00 9.61 H new ATOM 0 HB3 LYS A 165 -21.228 6.905 -7.622 1.00 9.61 H new ATOM 0 HG2 LYS A 165 -21.093 7.120 -4.592 1.00 9.69 H new ATOM 0 HG3 LYS A 165 -20.676 8.391 -5.724 1.00 9.69 H new ATOM 0 HD2 LYS A 165 -23.036 8.264 -6.638 1.00 10.12 H new ATOM 0 HD3 LYS A 165 -23.419 7.119 -5.368 1.00 10.12 H new ATOM 0 HE2 LYS A 165 -22.506 9.999 -5.004 1.00 10.34 H new ATOM 0 HE3 LYS A 165 -24.107 9.361 -4.686 1.00 10.34 H new ATOM 0 HZ1 LYS A 165 -23.007 9.518 -2.628 1.00 10.42 H new ATOM 0 HZ2 LYS A 165 -23.028 7.863 -3.007 1.00 10.42 H new ATOM 0 HZ3 LYS A 165 -21.603 8.763 -3.212 1.00 10.42 H new ATOM 2581 N GLY A 166 -20.564 3.418 -7.567 1.00 10.61 N ATOM 2582 CA GLY A 166 -20.255 2.456 -8.606 1.00 11.72 C ATOM 2583 C GLY A 166 -21.349 1.424 -8.778 1.00 12.02 C ATOM 2584 O GLY A 166 -21.486 0.829 -9.843 1.00 13.02 O ATOM 0 H GLY A 166 -19.954 3.369 -6.751 1.00 10.61 H new ATOM 0 HA2 GLY A 166 -20.102 2.980 -9.549 1.00 11.72 H new ATOM 0 HA3 GLY A 166 -19.319 1.953 -8.365 1.00 11.72 H new ATOM 2588 N GLN A 167 -22.132 1.212 -7.733 1.00 11.25 N ATOM 2589 CA GLN A 167 -23.267 0.306 -7.809 1.00 11.64 C ATOM 2590 C GLN A 167 -24.468 1.047 -8.381 1.00 12.01 C ATOM 2591 O GLN A 167 -25.251 0.496 -9.156 1.00 12.84 O ATOM 2592 CB GLN A 167 -23.602 -0.262 -6.422 1.00 10.86 C ATOM 2593 CG GLN A 167 -24.674 -1.339 -6.448 1.00 11.50 C ATOM 2594 CD GLN A 167 -24.274 -2.538 -7.287 1.00 11.89 C ATOM 2595 OE1 GLN A 167 -23.094 -2.873 -7.394 1.00 11.87 O ATOM 2596 NE2 GLN A 167 -25.250 -3.191 -7.891 1.00 12.41 N ATOM 0 H GLN A 167 -22.003 1.654 -6.823 1.00 11.25 H new ATOM 0 HA GLN A 167 -23.012 -0.528 -8.463 1.00 11.64 H new ATOM 0 HB2 GLN A 167 -22.695 -0.674 -5.979 1.00 10.86 H new ATOM 0 HB3 GLN A 167 -23.932 0.551 -5.775 1.00 10.86 H new ATOM 0 HG2 GLN A 167 -24.881 -1.666 -5.429 1.00 11.50 H new ATOM 0 HG3 GLN A 167 -25.599 -0.917 -6.841 1.00 11.50 H new ATOM 0 HE21 GLN A 167 -26.216 -2.883 -7.778 1.00 12.41 H new ATOM 0 HE22 GLN A 167 -25.038 -4.003 -8.470 1.00 12.41 H new ATOM 2605 N GLU A 168 -24.587 2.315 -8.008 1.00 11.51 N ATOM 2606 CA GLU A 168 -25.657 3.175 -8.497 1.00 11.94 C ATOM 2607 C GLU A 168 -25.603 3.322 -10.015 1.00 13.03 C ATOM 2608 O GLU A 168 -26.636 3.293 -10.686 1.00 13.73 O ATOM 2609 CB GLU A 168 -25.557 4.550 -7.839 1.00 11.38 C ATOM 2610 CG GLU A 168 -25.806 4.525 -6.344 1.00 10.85 C ATOM 2611 CD GLU A 168 -27.228 4.138 -6.006 1.00 10.80 C ATOM 2612 OE1 GLU A 168 -28.095 5.038 -5.967 1.00 10.98 O ATOM 2613 OE2 GLU A 168 -27.492 2.937 -5.783 1.00 10.74 O ATOM 0 H GLU A 168 -23.947 2.775 -7.360 1.00 11.51 H new ATOM 0 HA GLU A 168 -26.609 2.712 -8.237 1.00 11.94 H new ATOM 0 HB2 GLU A 168 -24.566 4.963 -8.027 1.00 11.38 H new ATOM 0 HB3 GLU A 168 -26.276 5.221 -8.308 1.00 11.38 H new ATOM 0 HG2 GLU A 168 -25.119 3.821 -5.875 1.00 10.85 H new ATOM 0 HG3 GLU A 168 -25.590 5.508 -5.925 1.00 10.85 H new