USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=39 USER MOD reduce.3.24.130724 removed 1186 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 48 GLN :FLIP amide:sc= -0.465 F(o=-1.6,f=-0.47) USER MOD Set 1.2: A 157 ASN :FLIP amide:sc= 0 X(o=-0.78,f=-0.47) USER MOD Set 2.1: A 5 ASN : amide:sc= -2.56 K(o=-3.2,f=-6.9!) USER MOD Set 2.2: A 135 ASN :FLIP amide:sc= -0.673 F(o=-3.8,f=-3.2) USER MOD Set 3.1: A 23 SER OG : rot -111:sc= 0.0772 USER MOD Set 3.2: A 25 SER OG : rot 180:sc= 0.13 USER MOD Set 4.1: A 4 SER OG : rot -170:sc= -0.314 USER MOD Set 4.2: A 43 SER OG : rot -127:sc= 0.937 USER MOD Single : A 3 GLN : amide:sc= -0.341 K(o=-0.34,f=-1.4) USER MOD Single : A 14 SER OG : rot 73:sc= 1.15 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 165:sc= 1.01 (180deg=0.61) USER MOD Single : A 18 SER OG : rot 180:sc= 0 USER MOD Single : A 19 GLN : amide:sc= -0.467 X(o=-0.47,f=-0.77) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0.0189 K(o=0.019,f=-1.3) USER MOD Single : A 28 SER OG : rot -11:sc= -1.42! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 47 LYS NZ :NH3+ -168:sc= 0.501 (180deg=0.157) USER MOD Single : A 61 TYR OH : rot 142:sc= 0.036 USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -0.341 F(o=-1.1,f=-0.34) USER MOD Single : A 73 HIS : no HD1:sc=-0.00481 X(o=-0.0048,f=-0.0055) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.2! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -119:sc= 0.834 USER MOD Single : A 85 GLN : amide:sc= 0 K(o=0,f=-0.66) USER MOD Single : A 88 ASN : amide:sc= 0.409 X(o=0.41,f=-0.018) USER MOD Single : A 96 ASN :FLIP amide:sc= -1.23 F(o=-7.3!,f=-1.2) USER MOD Single : A 105 SER OG : rot 52:sc= 0.353 USER MOD Single : A 111 CYS SG : rot 170:sc= -12.4! USER MOD Single : A 114 SER OG : rot 71:sc= 0.95 USER MOD Single : A 117 LYS NZ :NH3+ 159:sc= 1.09 (180deg=0.438) USER MOD Single : A 119 MET CE :methyl -155:sc= -3.61! (180deg=-7.38!) USER MOD Single : A 120 GLN :FLIP amide:sc= 0.0403 F(o=-1.6!,f=0.04) USER MOD Single : A 124 SER OG : rot -107:sc= 0.388 USER MOD Single : A 130 MET CE :methyl 177:sc= -6.71! (180deg=-6.84!) USER MOD Single : A 132 THR OG1 : rot 76:sc= 0.405 USER MOD Single : A 133 TYR OH : rot 30:sc= 1 USER MOD Single : A 137 HIS : no HD1:sc= -0.0417 X(o=-0.042,f=0.0009) USER MOD Single : A 143 GLN : amide:sc= -0.127 K(o=-0.13,f=-0.74) USER MOD Single : A 145 ASN :FLIP amide:sc= -0.467 F(o=-5.5!,f=-0.47) USER MOD Single : A 150 THR OG1 : rot -110:sc= -0.293 USER MOD Single : A 155 TYR OH : rot 180:sc= 0 USER MOD Single : B1014 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -0.441 10.289 11.239 1.00 0.73 N ATOM 32 CA GLN A 3 -1.118 10.891 10.100 1.00 0.73 C ATOM 33 C GLN A 3 -0.370 10.593 8.806 1.00 0.61 C ATOM 34 O GLN A 3 -0.817 10.965 7.723 1.00 0.64 O ATOM 35 CB GLN A 3 -1.277 12.405 10.279 1.00 0.83 C ATOM 36 CG GLN A 3 -2.387 12.804 11.244 1.00 1.13 C ATOM 37 CD GLN A 3 -2.085 12.455 12.688 1.00 1.76 C ATOM 38 OE1 GLN A 3 -0.928 12.436 13.110 1.00 2.42 O ATOM 39 NE2 GLN A 3 -3.127 12.185 13.459 1.00 2.22 N ATOM 0 HA GLN A 3 -2.113 10.449 10.041 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.334 12.819 10.636 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -1.476 12.856 9.307 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -2.558 13.878 11.166 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -3.312 12.312 10.945 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -4.070 12.212 13.070 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -2.987 11.950 14.442 1.00 2.22 H new ATOM 48 N SER A 4 0.763 9.913 8.915 1.00 0.55 N ATOM 49 CA SER A 4 1.579 9.627 7.745 1.00 0.52 C ATOM 50 C SER A 4 1.114 8.339 7.062 1.00 0.45 C ATOM 51 O SER A 4 1.345 8.135 5.868 1.00 0.46 O ATOM 52 CB SER A 4 3.061 9.548 8.131 1.00 0.61 C ATOM 53 OG SER A 4 3.884 9.571 6.985 1.00 1.25 O ATOM 0 H SER A 4 1.135 9.552 9.794 1.00 0.55 H new ATOM 0 HA SER A 4 1.460 10.442 7.031 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.316 10.384 8.783 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.245 8.635 8.697 1.00 0.61 H new ATOM 0 HG SER A 4 4.807 9.362 7.241 1.00 1.25 H new ATOM 59 N ASN A 5 0.436 7.479 7.817 1.00 0.43 N ATOM 60 CA ASN A 5 -0.186 6.284 7.246 1.00 0.39 C ATOM 61 C ASN A 5 -1.335 6.680 6.334 1.00 0.35 C ATOM 62 O ASN A 5 -1.736 5.922 5.450 1.00 0.35 O ATOM 63 CB ASN A 5 -0.705 5.343 8.336 1.00 0.40 C ATOM 64 CG ASN A 5 -1.427 6.066 9.446 1.00 0.80 C ATOM 65 OD1 ASN A 5 -2.060 7.095 9.225 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.327 5.536 10.658 1.00 0.53 N ATOM 0 H ASN A 5 0.302 7.585 8.823 1.00 0.43 H new ATOM 0 HA ASN A 5 0.578 5.757 6.674 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.379 4.613 7.887 1.00 0.40 H new ATOM 0 HB3 ASN A 5 0.133 4.787 8.757 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -1.786 5.985 11.450 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -0.791 4.679 10.797 1.00 0.53 H new ATOM 73 N ARG A 6 -1.859 7.876 6.570 1.00 0.35 N ATOM 74 CA ARG A 6 -2.901 8.444 5.736 1.00 0.34 C ATOM 75 C ARG A 6 -2.442 8.478 4.296 1.00 0.31 C ATOM 76 O ARG A 6 -3.138 8.020 3.395 1.00 0.30 O ATOM 77 CB ARG A 6 -3.222 9.865 6.200 1.00 0.41 C ATOM 78 CG ARG A 6 -4.285 10.536 5.358 1.00 0.59 C ATOM 79 CD ARG A 6 -5.572 9.747 5.416 1.00 0.41 C ATOM 80 NE ARG A 6 -6.228 9.894 6.718 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.409 9.372 7.034 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.045 8.591 6.179 1.00 1.40 N ATOM 83 NH2 ARG A 6 -7.951 9.624 8.218 1.00 0.93 N ATOM 0 H ARG A 6 -1.572 8.475 7.344 1.00 0.35 H new ATOM 0 HA ARG A 6 -3.796 7.827 5.818 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -3.553 9.836 7.238 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.312 10.465 6.172 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.456 11.551 5.716 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -3.945 10.615 4.325 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.244 10.085 4.627 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.364 8.694 5.228 1.00 0.41 H new ATOM 0 HE ARG A 6 -5.743 10.436 7.433 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.630 8.385 5.270 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.951 8.194 6.428 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -7.462 10.219 8.887 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -8.857 9.223 8.460 1.00 0.93 H new ATOM 97 N GLU A 7 -1.250 9.006 4.116 1.00 0.30 N ATOM 98 CA GLU A 7 -0.649 9.177 2.806 1.00 0.29 C ATOM 99 C GLU A 7 -0.573 7.860 2.063 1.00 0.25 C ATOM 100 O GLU A 7 -0.996 7.760 0.916 1.00 0.26 O ATOM 101 CB GLU A 7 0.752 9.727 2.970 1.00 0.31 C ATOM 102 CG GLU A 7 0.804 10.975 3.814 1.00 0.40 C ATOM 103 CD GLU A 7 2.215 11.431 4.049 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.828 11.930 3.091 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.730 11.257 5.173 1.00 0.53 O ATOM 0 H GLU A 7 -0.662 9.333 4.883 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.269 9.866 2.232 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.385 8.963 3.422 1.00 0.31 H new ATOM 0 HB3 GLU A 7 1.168 9.944 1.986 1.00 0.31 H new ATOM 0 HG2 GLU A 7 0.242 11.770 3.323 1.00 0.40 H new ATOM 0 HG3 GLU A 7 0.319 10.787 4.772 1.00 0.40 H new ATOM 112 N LEU A 8 0.002 6.866 2.729 1.00 0.26 N ATOM 113 CA LEU A 8 0.088 5.515 2.225 1.00 0.27 C ATOM 114 C LEU A 8 -1.245 5.065 1.618 1.00 0.28 C ATOM 115 O LEU A 8 -1.277 4.491 0.535 1.00 0.40 O ATOM 116 CB LEU A 8 0.498 4.607 3.384 1.00 0.34 C ATOM 117 CG LEU A 8 1.982 4.654 3.807 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.637 6.032 3.641 1.00 1.00 C ATOM 119 CD2 LEU A 8 2.123 4.180 5.245 1.00 1.16 C ATOM 0 H LEU A 8 0.426 6.986 3.649 1.00 0.26 H new ATOM 0 HA LEU A 8 0.829 5.462 1.428 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.112 4.864 4.250 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.253 3.580 3.115 1.00 0.34 H new ATOM 0 HG LEU A 8 2.513 3.986 3.129 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.678 5.981 3.960 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.592 6.332 2.594 1.00 1.00 H new ATOM 0 HD13 LEU A 8 2.106 6.763 4.251 1.00 1.00 H new ATOM 0 HD21 LEU A 8 3.172 4.215 5.538 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.541 4.828 5.900 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.757 3.157 5.328 1.00 1.16 H new ATOM 131 N VAL A 9 -2.341 5.367 2.306 1.00 0.23 N ATOM 132 CA VAL A 9 -3.673 5.055 1.803 1.00 0.23 C ATOM 133 C VAL A 9 -4.036 5.979 0.643 1.00 0.23 C ATOM 134 O VAL A 9 -4.255 5.535 -0.486 1.00 0.24 O ATOM 135 CB VAL A 9 -4.721 5.203 2.930 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.143 5.056 2.401 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.452 4.188 4.027 1.00 0.27 C ATOM 0 H VAL A 9 -2.332 5.829 3.216 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.671 4.024 1.449 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.630 6.208 3.343 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -6.850 5.166 3.223 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.334 5.825 1.652 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.263 4.072 1.949 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.195 4.300 4.816 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.511 3.181 3.613 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.457 4.353 4.440 1.00 0.27 H new ATOM 147 N VAL A 10 -4.078 7.266 0.944 1.00 0.23 N ATOM 148 CA VAL A 10 -4.523 8.296 0.011 1.00 0.25 C ATOM 149 C VAL A 10 -3.794 8.245 -1.325 1.00 0.25 C ATOM 150 O VAL A 10 -4.432 8.208 -2.382 1.00 0.27 O ATOM 151 CB VAL A 10 -4.321 9.684 0.629 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.762 10.773 -0.320 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.076 9.774 1.930 1.00 0.32 C ATOM 0 H VAL A 10 -3.801 7.633 1.854 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.579 8.104 -0.180 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.258 9.827 0.822 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.607 11.746 0.146 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.179 10.713 -1.239 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -5.819 10.647 -0.553 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -4.931 10.762 2.367 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.138 9.611 1.746 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -4.706 9.014 2.619 1.00 0.32 H new ATOM 163 N ASP A 11 -2.469 8.252 -1.274 1.00 0.26 N ATOM 164 CA ASP A 11 -1.645 8.307 -2.476 1.00 0.28 C ATOM 165 C ASP A 11 -1.998 7.164 -3.419 1.00 0.31 C ATOM 166 O ASP A 11 -1.995 7.324 -4.643 1.00 0.35 O ATOM 167 CB ASP A 11 -0.160 8.240 -2.102 1.00 0.32 C ATOM 168 CG ASP A 11 0.756 8.635 -3.244 1.00 0.39 C ATOM 169 OD1 ASP A 11 1.154 7.756 -4.035 1.00 0.49 O ATOM 170 OD2 ASP A 11 1.094 9.836 -3.348 1.00 0.59 O ATOM 0 H ASP A 11 -1.937 8.220 -0.405 1.00 0.26 H new ATOM 0 HA ASP A 11 -1.840 9.251 -2.986 1.00 0.28 H new ATOM 0 HB2 ASP A 11 0.025 8.896 -1.251 1.00 0.32 H new ATOM 0 HB3 ASP A 11 0.083 7.227 -1.782 1.00 0.32 H new ATOM 175 N PHE A 12 -2.348 6.021 -2.845 1.00 0.32 N ATOM 176 CA PHE A 12 -2.664 4.854 -3.639 1.00 0.38 C ATOM 177 C PHE A 12 -4.086 4.926 -4.179 1.00 0.34 C ATOM 178 O PHE A 12 -4.313 4.608 -5.347 1.00 0.39 O ATOM 179 CB PHE A 12 -2.474 3.574 -2.841 1.00 0.46 C ATOM 180 CG PHE A 12 -2.363 2.351 -3.707 1.00 0.76 C ATOM 181 CD1 PHE A 12 -1.209 2.112 -4.438 1.00 1.24 C ATOM 182 CD2 PHE A 12 -3.406 1.446 -3.795 1.00 0.98 C ATOM 183 CE1 PHE A 12 -1.097 0.993 -5.238 1.00 1.61 C ATOM 184 CE2 PHE A 12 -3.299 0.324 -4.594 1.00 1.38 C ATOM 185 CZ PHE A 12 -2.144 0.096 -5.317 1.00 1.61 C ATOM 0 H PHE A 12 -2.419 5.883 -1.837 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.972 4.840 -4.481 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.575 3.663 -2.231 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.313 3.452 -2.156 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -0.387 2.811 -4.381 1.00 1.24 H new ATOM 0 HD2 PHE A 12 -4.312 1.618 -3.234 1.00 0.98 H new ATOM 0 HE1 PHE A 12 -0.192 0.819 -5.801 1.00 1.61 H new ATOM 0 HE2 PHE A 12 -4.119 -0.376 -4.653 1.00 1.38 H new ATOM 0 HZ PHE A 12 -2.060 -0.781 -5.942 1.00 1.61 H new ATOM 195 N LEU A 13 -5.050 5.343 -3.350 1.00 0.28 N ATOM 196 CA LEU A 13 -6.415 5.505 -3.839 1.00 0.28 C ATOM 197 C LEU A 13 -6.430 6.510 -4.982 1.00 0.30 C ATOM 198 O LEU A 13 -7.077 6.290 -6.003 1.00 0.34 O ATOM 199 CB LEU A 13 -7.390 5.934 -2.732 1.00 0.25 C ATOM 200 CG LEU A 13 -7.987 4.787 -1.907 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.112 4.440 -0.731 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.393 5.121 -1.437 1.00 0.27 C ATOM 0 H LEU A 13 -4.913 5.568 -2.365 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.756 4.533 -4.196 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.871 6.614 -2.057 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.206 6.496 -3.186 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.040 3.916 -2.560 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.565 3.624 -0.169 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.129 4.133 -1.087 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -7.008 5.312 -0.085 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.789 4.289 -0.855 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.366 6.017 -0.817 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.033 5.297 -2.301 1.00 0.27 H new ATOM 214 N SER A 14 -5.666 7.585 -4.813 1.00 0.29 N ATOM 215 CA SER A 14 -5.508 8.597 -5.854 1.00 0.33 C ATOM 216 C SER A 14 -5.018 7.960 -7.153 1.00 0.37 C ATOM 217 O SER A 14 -5.518 8.259 -8.240 1.00 0.42 O ATOM 218 CB SER A 14 -4.509 9.666 -5.404 1.00 0.33 C ATOM 219 OG SER A 14 -4.875 10.227 -4.153 1.00 1.05 O ATOM 0 H SER A 14 -5.143 7.779 -3.959 1.00 0.29 H new ATOM 0 HA SER A 14 -6.479 9.059 -6.030 1.00 0.33 H new ATOM 0 HB2 SER A 14 -3.514 9.227 -5.330 1.00 0.33 H new ATOM 0 HB3 SER A 14 -4.455 10.454 -6.155 1.00 0.33 H new ATOM 0 HG SER A 14 -4.702 9.577 -3.440 1.00 1.05 H new ATOM 225 N TYR A 15 -4.054 7.059 -7.017 1.00 0.37 N ATOM 226 CA TYR A 15 -3.435 6.408 -8.160 1.00 0.45 C ATOM 227 C TYR A 15 -4.401 5.416 -8.810 1.00 0.43 C ATOM 228 O TYR A 15 -4.401 5.241 -10.028 1.00 0.55 O ATOM 229 CB TYR A 15 -2.156 5.697 -7.706 1.00 0.52 C ATOM 230 CG TYR A 15 -1.266 5.233 -8.836 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.636 6.145 -9.669 1.00 0.72 C ATOM 232 CD2 TYR A 15 -1.069 3.881 -9.075 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.170 5.722 -10.709 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.266 3.451 -10.112 1.00 1.06 C ATOM 235 CZ TYR A 15 0.392 4.386 -10.899 1.00 1.03 C ATOM 236 OH TYR A 15 1.154 3.949 -11.961 1.00 1.22 O ATOM 0 H TYR A 15 -3.682 6.761 -6.115 1.00 0.37 H new ATOM 0 HA TYR A 15 -3.183 7.162 -8.906 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.588 6.371 -7.065 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.430 4.835 -7.098 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.777 7.203 -9.503 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.552 3.153 -8.440 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.624 6.445 -11.370 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -0.151 2.395 -10.309 1.00 1.06 H new ATOM 0 HH TYR A 15 1.210 2.971 -11.943 1.00 1.22 H new ATOM 246 N LYS A 16 -5.240 4.784 -7.995 1.00 0.33 N ATOM 247 CA LYS A 16 -6.175 3.783 -8.493 1.00 0.33 C ATOM 248 C LYS A 16 -7.356 4.423 -9.194 1.00 0.33 C ATOM 249 O LYS A 16 -7.945 3.824 -10.083 1.00 0.42 O ATOM 250 CB LYS A 16 -6.660 2.869 -7.367 1.00 0.34 C ATOM 251 CG LYS A 16 -5.559 2.065 -6.680 1.00 0.61 C ATOM 252 CD LYS A 16 -4.847 1.093 -7.622 1.00 0.57 C ATOM 253 CE LYS A 16 -3.750 1.772 -8.435 1.00 1.18 C ATOM 254 NZ LYS A 16 -2.856 0.796 -9.108 1.00 1.41 N ATOM 0 H LYS A 16 -5.291 4.947 -6.989 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.636 3.177 -9.222 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.169 3.476 -6.618 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.398 2.177 -7.772 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -4.827 2.752 -6.256 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -5.990 1.506 -5.849 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.414 0.279 -7.041 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -5.576 0.648 -8.300 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -4.205 2.420 -9.184 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -3.158 2.410 -7.779 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -2.297 1.283 -9.838 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -2.215 0.371 -8.407 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -3.428 0.049 -9.551 1.00 1.41 H new ATOM 268 N LEU A 17 -7.703 5.632 -8.808 1.00 0.33 N ATOM 269 CA LEU A 17 -8.752 6.354 -9.519 1.00 0.32 C ATOM 270 C LEU A 17 -8.229 6.834 -10.863 1.00 0.35 C ATOM 271 O LEU A 17 -8.978 6.939 -11.835 1.00 0.36 O ATOM 272 CB LEU A 17 -9.282 7.544 -8.712 1.00 0.35 C ATOM 273 CG LEU A 17 -10.360 7.228 -7.670 1.00 0.53 C ATOM 274 CD1 LEU A 17 -10.880 5.808 -7.820 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.826 7.470 -6.274 1.00 1.15 C ATOM 0 H LEU A 17 -7.288 6.133 -8.023 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.582 5.663 -9.669 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.441 8.015 -8.203 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.684 8.279 -9.409 1.00 0.35 H new ATOM 0 HG LEU A 17 -11.203 7.899 -7.839 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.643 5.618 -7.065 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.312 5.682 -8.813 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -10.058 5.104 -7.690 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.602 7.242 -5.543 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -8.962 6.829 -6.099 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.529 8.514 -6.174 1.00 1.15 H new ATOM 287 N SER A 18 -6.931 7.090 -10.918 1.00 0.41 N ATOM 288 CA SER A 18 -6.303 7.630 -12.113 1.00 0.48 C ATOM 289 C SER A 18 -6.363 6.635 -13.279 1.00 0.51 C ATOM 290 O SER A 18 -6.419 7.039 -14.439 1.00 0.58 O ATOM 291 CB SER A 18 -4.854 8.020 -11.813 1.00 0.57 C ATOM 292 OG SER A 18 -4.325 8.845 -12.837 1.00 0.94 O ATOM 0 H SER A 18 -6.288 6.931 -10.142 1.00 0.41 H new ATOM 0 HA SER A 18 -6.856 8.520 -12.413 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.805 8.544 -10.858 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.245 7.121 -11.715 1.00 0.57 H new ATOM 0 HG SER A 18 -3.399 9.081 -12.621 1.00 0.94 H new ATOM 298 N GLN A 19 -6.384 5.337 -12.974 1.00 0.52 N ATOM 299 CA GLN A 19 -6.440 4.314 -14.018 1.00 0.57 C ATOM 300 C GLN A 19 -7.859 4.159 -14.550 1.00 0.51 C ATOM 301 O GLN A 19 -8.109 3.428 -15.508 1.00 0.59 O ATOM 302 CB GLN A 19 -5.934 2.977 -13.490 1.00 0.68 C ATOM 303 CG GLN A 19 -6.740 2.470 -12.327 1.00 0.84 C ATOM 304 CD GLN A 19 -6.307 1.104 -11.848 1.00 0.97 C ATOM 305 OE1 GLN A 19 -5.776 0.298 -12.608 1.00 1.37 O ATOM 306 NE2 GLN A 19 -6.561 0.822 -10.586 1.00 1.19 N ATOM 0 H GLN A 19 -6.363 4.972 -12.022 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.795 4.636 -14.835 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.960 2.241 -14.293 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.892 3.082 -13.187 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -6.660 3.178 -11.502 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.791 2.431 -12.612 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.003 1.519 -9.987 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -6.315 -0.093 -10.208 1.00 1.19 H new ATOM 315 N LYS A 20 -8.779 4.859 -13.913 1.00 0.45 N ATOM 316 CA LYS A 20 -10.188 4.817 -14.284 1.00 0.49 C ATOM 317 C LYS A 20 -10.565 6.129 -14.924 1.00 0.48 C ATOM 318 O LYS A 20 -11.508 6.228 -15.707 1.00 0.53 O ATOM 319 CB LYS A 20 -11.047 4.592 -13.042 1.00 0.57 C ATOM 320 CG LYS A 20 -10.403 3.675 -12.035 1.00 0.49 C ATOM 321 CD LYS A 20 -10.195 2.282 -12.597 1.00 1.20 C ATOM 322 CE LYS A 20 -11.497 1.704 -13.133 1.00 1.75 C ATOM 323 NZ LYS A 20 -11.301 0.367 -13.746 1.00 2.20 N ATOM 0 H LYS A 20 -8.575 5.473 -13.124 1.00 0.45 H new ATOM 0 HA LYS A 20 -10.356 3.999 -14.984 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.252 5.553 -12.570 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -12.008 4.174 -13.343 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -9.443 4.090 -11.727 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -11.027 3.618 -11.143 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -9.454 2.316 -13.395 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.797 1.629 -11.820 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -12.221 1.628 -12.322 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.918 2.384 -13.873 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -12.212 0.010 -14.098 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -10.630 0.443 -14.537 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -10.924 -0.290 -13.033 1.00 2.20 H new ATOM 337 N GLY A 21 -9.804 7.132 -14.554 1.00 0.45 N ATOM 338 CA GLY A 21 -10.001 8.460 -15.075 1.00 0.49 C ATOM 339 C GLY A 21 -10.722 9.335 -14.081 1.00 0.47 C ATOM 340 O GLY A 21 -11.402 10.291 -14.449 1.00 0.53 O ATOM 0 H GLY A 21 -9.036 7.050 -13.888 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -9.036 8.904 -15.321 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -10.574 8.409 -16.001 1.00 0.49 H new ATOM 344 N TYR A 22 -10.578 8.987 -12.811 1.00 0.40 N ATOM 345 CA TYR A 22 -11.169 9.756 -11.732 1.00 0.37 C ATOM 346 C TYR A 22 -10.098 10.261 -10.786 1.00 0.36 C ATOM 347 O TYR A 22 -8.946 9.837 -10.855 1.00 0.38 O ATOM 348 CB TYR A 22 -12.192 8.922 -10.963 1.00 0.34 C ATOM 349 CG TYR A 22 -13.470 8.700 -11.737 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.611 7.624 -12.604 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.532 9.584 -11.610 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.778 7.436 -13.320 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.697 9.405 -12.324 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.817 8.331 -13.176 1.00 0.62 C ATOM 355 OH TYR A 22 -16.979 8.160 -13.895 1.00 0.76 O ATOM 0 H TYR A 22 -10.052 8.169 -12.503 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.680 10.611 -12.174 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.752 7.957 -10.713 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.425 9.419 -10.022 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.797 6.924 -12.720 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.444 10.427 -10.940 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.876 6.593 -13.988 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.512 10.105 -12.215 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.609 8.878 -13.675 1.00 0.76 H new ATOM 365 N SER A 23 -10.473 11.187 -9.929 1.00 0.37 N ATOM 366 CA SER A 23 -9.556 11.726 -8.947 1.00 0.39 C ATOM 367 C SER A 23 -9.977 11.309 -7.546 1.00 0.35 C ATOM 368 O SER A 23 -11.164 11.119 -7.283 1.00 0.34 O ATOM 369 CB SER A 23 -9.538 13.243 -9.045 1.00 0.45 C ATOM 370 OG SER A 23 -8.366 13.793 -8.469 1.00 0.52 O ATOM 0 H SER A 23 -11.412 11.584 -9.893 1.00 0.37 H new ATOM 0 HA SER A 23 -8.558 11.336 -9.145 1.00 0.39 H new ATOM 0 HB2 SER A 23 -9.603 13.541 -10.092 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.416 13.650 -8.543 1.00 0.45 H new ATOM 0 HG SER A 23 -8.600 14.277 -7.650 1.00 0.52 H new ATOM 376 N TRP A 24 -9.009 11.168 -6.658 1.00 0.37 N ATOM 377 CA TRP A 24 -9.296 10.925 -5.254 1.00 0.36 C ATOM 378 C TRP A 24 -9.947 12.155 -4.636 1.00 0.35 C ATOM 379 O TRP A 24 -11.003 12.067 -4.010 1.00 0.34 O ATOM 380 CB TRP A 24 -8.010 10.572 -4.490 1.00 0.45 C ATOM 381 CG TRP A 24 -8.035 11.000 -3.048 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.678 10.383 -2.016 1.00 0.96 C ATOM 383 CD2 TRP A 24 -7.395 12.156 -2.488 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.491 11.095 -0.855 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.704 12.182 -1.119 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.595 13.173 -3.012 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -7.244 13.182 -0.268 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -6.135 14.165 -2.167 1.00 3.36 C ATOM 389 CH2 TRP A 24 -6.461 14.163 -0.808 1.00 3.13 C ATOM 0 H TRP A 24 -8.016 11.218 -6.884 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.983 10.081 -5.183 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.851 9.495 -4.539 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.161 11.042 -4.986 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -9.249 9.470 -2.098 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -8.877 10.852 0.057 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -6.340 13.184 -4.061 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -7.497 13.183 0.782 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -5.514 14.954 -2.563 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -6.087 14.952 -0.172 1.00 3.13 H new ATOM 400 N SER A 25 -9.316 13.301 -4.844 1.00 0.39 N ATOM 401 CA SER A 25 -9.712 14.531 -4.182 1.00 0.44 C ATOM 402 C SER A 25 -11.112 14.968 -4.594 1.00 0.43 C ATOM 403 O SER A 25 -11.844 15.553 -3.798 1.00 0.49 O ATOM 404 CB SER A 25 -8.694 15.627 -4.485 1.00 0.53 C ATOM 405 OG SER A 25 -8.293 15.576 -5.846 1.00 1.37 O ATOM 0 H SER A 25 -8.520 13.403 -5.473 1.00 0.39 H new ATOM 0 HA SER A 25 -9.736 14.348 -3.108 1.00 0.44 H new ATOM 0 HB2 SER A 25 -9.126 16.603 -4.264 1.00 0.53 H new ATOM 0 HB3 SER A 25 -7.823 15.510 -3.839 1.00 0.53 H new ATOM 0 HG SER A 25 -7.642 16.287 -6.022 1.00 1.37 H new ATOM 411 N GLN A 26 -11.493 14.663 -5.832 1.00 0.40 N ATOM 412 CA GLN A 26 -12.829 14.994 -6.324 1.00 0.42 C ATOM 413 C GLN A 26 -13.913 14.394 -5.435 1.00 0.38 C ATOM 414 O GLN A 26 -15.023 14.920 -5.348 1.00 0.41 O ATOM 415 CB GLN A 26 -13.016 14.488 -7.754 1.00 0.47 C ATOM 416 CG GLN A 26 -12.263 15.288 -8.798 1.00 0.59 C ATOM 417 CD GLN A 26 -12.439 14.722 -10.192 1.00 0.73 C ATOM 418 OE1 GLN A 26 -12.610 13.512 -10.366 1.00 1.11 O ATOM 419 NE2 GLN A 26 -12.396 15.582 -11.195 1.00 1.10 N ATOM 0 H GLN A 26 -10.898 14.189 -6.511 1.00 0.40 H new ATOM 0 HA GLN A 26 -12.921 16.080 -6.306 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.692 13.449 -7.805 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.078 14.503 -7.997 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.610 16.321 -8.781 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.203 15.304 -8.546 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.253 16.575 -11.010 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.506 15.253 -12.154 1.00 1.10 H new ATOM 428 N PHE A 27 -13.588 13.292 -4.778 1.00 0.35 N ATOM 429 CA PHE A 27 -14.555 12.568 -3.978 1.00 0.38 C ATOM 430 C PHE A 27 -14.115 12.477 -2.523 1.00 0.43 C ATOM 431 O PHE A 27 -14.713 11.748 -1.740 1.00 0.67 O ATOM 432 CB PHE A 27 -14.724 11.162 -4.552 1.00 0.43 C ATOM 433 CG PHE A 27 -14.993 11.155 -6.028 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.057 11.867 -6.558 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.166 10.456 -6.888 1.00 0.94 C ATOM 436 CE1 PHE A 27 -16.290 11.876 -7.918 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.392 10.463 -8.248 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.457 11.174 -8.765 1.00 1.28 C ATOM 0 H PHE A 27 -12.655 12.880 -4.785 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.502 13.106 -4.009 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.822 10.584 -4.351 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.545 10.663 -4.037 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.711 12.420 -5.900 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.332 9.897 -6.489 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -17.124 12.432 -8.319 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.737 9.913 -8.908 1.00 1.20 H new ATOM 0 HZ PHE A 27 -15.638 11.181 -9.830 1.00 1.28 H new ATOM 448 N SER A 28 -13.090 13.235 -2.156 1.00 0.39 N ATOM 449 CA SER A 28 -12.459 13.065 -0.857 1.00 0.42 C ATOM 450 C SER A 28 -12.958 14.065 0.176 1.00 0.58 C ATOM 451 O SER A 28 -13.851 14.870 -0.090 1.00 1.01 O ATOM 452 CB SER A 28 -10.942 13.149 -0.980 1.00 0.62 C ATOM 453 OG SER A 28 -10.499 14.476 -1.218 1.00 1.81 O ATOM 0 H SER A 28 -12.681 13.968 -2.736 1.00 0.39 H new ATOM 0 HA SER A 28 -12.738 12.072 -0.504 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.483 12.772 -0.066 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.608 12.504 -1.793 1.00 0.62 H new ATOM 0 HG SER A 28 -11.269 15.046 -1.423 1.00 1.81 H new ATOM 459 N ASP A 29 -12.375 13.969 1.368 1.00 0.63 N ATOM 460 CA ASP A 29 -12.748 14.797 2.510 1.00 0.84 C ATOM 461 C ASP A 29 -11.737 14.594 3.637 1.00 0.88 C ATOM 462 O ASP A 29 -11.495 15.491 4.444 1.00 1.03 O ATOM 463 CB ASP A 29 -14.150 14.413 2.981 1.00 1.04 C ATOM 464 CG ASP A 29 -14.619 15.172 4.210 1.00 1.69 C ATOM 465 OD1 ASP A 29 -14.309 14.739 5.339 1.00 2.31 O ATOM 466 OD2 ASP A 29 -15.325 16.191 4.053 1.00 1.85 O ATOM 0 H ASP A 29 -11.624 13.309 1.570 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.748 15.848 2.219 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.855 14.587 2.168 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -14.170 13.345 3.197 1.00 1.04 H new ATOM 471 N VAL A 30 -11.117 13.411 3.621 1.00 0.80 N ATOM 472 CA VAL A 30 -10.203 12.945 4.668 1.00 0.82 C ATOM 473 C VAL A 30 -9.163 13.998 5.062 1.00 0.82 C ATOM 474 O VAL A 30 -9.236 14.570 6.147 1.00 0.92 O ATOM 475 CB VAL A 30 -9.494 11.642 4.208 1.00 0.81 C ATOM 476 CG1 VAL A 30 -10.457 10.473 4.258 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.943 11.776 2.791 1.00 0.76 C ATOM 0 H VAL A 30 -11.239 12.737 2.865 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.806 12.749 5.555 1.00 0.82 H new ATOM 0 HB VAL A 30 -8.662 11.465 4.890 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.946 9.567 3.933 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.816 10.341 5.279 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -11.302 10.669 3.598 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.454 10.846 2.502 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.760 11.986 2.101 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -8.221 12.592 2.757 1.00 0.76 H new ATOM 487 N GLU A 31 -8.202 14.238 4.186 1.00 0.78 N ATOM 488 CA GLU A 31 -7.212 15.280 4.395 1.00 0.83 C ATOM 489 C GLU A 31 -7.562 16.486 3.542 1.00 0.88 C ATOM 490 O GLU A 31 -6.847 17.479 3.515 1.00 0.98 O ATOM 491 CB GLU A 31 -5.804 14.781 4.066 1.00 0.93 C ATOM 492 CG GLU A 31 -5.647 14.260 2.647 1.00 1.05 C ATOM 493 CD GLU A 31 -4.195 14.055 2.272 1.00 2.05 C ATOM 494 OE1 GLU A 31 -3.624 13.007 2.647 1.00 2.74 O ATOM 495 OE2 GLU A 31 -3.621 14.931 1.594 1.00 2.46 O ATOM 0 H GLU A 31 -8.086 13.719 3.315 1.00 0.78 H new ATOM 0 HA GLU A 31 -7.222 15.565 5.447 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -5.096 15.594 4.224 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.539 13.987 4.765 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -6.183 13.316 2.547 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -6.105 14.963 1.951 1.00 1.05 H new ATOM 502 N GLU A 32 -8.668 16.363 2.826 1.00 0.87 N ATOM 503 CA GLU A 32 -9.151 17.412 1.941 1.00 0.98 C ATOM 504 C GLU A 32 -9.392 18.708 2.696 1.00 1.09 C ATOM 505 O GLU A 32 -9.054 19.798 2.230 1.00 1.24 O ATOM 506 CB GLU A 32 -10.456 16.960 1.289 1.00 0.98 C ATOM 507 CG GLU A 32 -11.200 18.079 0.577 1.00 1.12 C ATOM 508 CD GLU A 32 -12.249 17.565 -0.380 1.00 1.20 C ATOM 509 OE1 GLU A 32 -11.895 16.775 -1.274 1.00 1.45 O ATOM 510 OE2 GLU A 32 -13.429 17.949 -0.246 1.00 1.17 O ATOM 0 H GLU A 32 -9.258 15.531 2.842 1.00 0.87 H new ATOM 0 HA GLU A 32 -8.390 17.595 1.183 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -10.239 16.166 0.574 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -11.105 16.532 2.053 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -11.674 18.723 1.318 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -10.486 18.694 0.030 1.00 1.12 H new ATOM 630 N THR A 41 6.717 12.382 4.975 1.00 1.12 N ATOM 631 CA THR A 41 7.803 12.566 5.928 1.00 0.86 C ATOM 632 C THR A 41 8.769 11.373 5.834 1.00 0.75 C ATOM 633 O THR A 41 9.867 11.494 5.285 1.00 0.85 O ATOM 634 CB THR A 41 7.280 12.751 7.378 1.00 0.80 C ATOM 635 OG1 THR A 41 8.365 12.680 8.311 1.00 0.95 O ATOM 636 CG2 THR A 41 6.215 11.725 7.746 1.00 0.91 C ATOM 0 HA THR A 41 8.335 13.482 5.672 1.00 0.86 H new ATOM 0 HB THR A 41 6.817 13.737 7.426 1.00 0.80 H new ATOM 0 HG1 THR A 41 8.022 12.800 9.221 1.00 0.95 H new ATOM 0 HG21 THR A 41 5.882 11.897 8.770 1.00 0.91 H new ATOM 0 HG22 THR A 41 5.367 11.821 7.068 1.00 0.91 H new ATOM 0 HG23 THR A 41 6.633 10.722 7.664 1.00 0.91 H new ATOM 644 N GLU A 42 8.352 10.226 6.357 1.00 0.69 N ATOM 645 CA GLU A 42 9.002 8.957 6.066 1.00 0.66 C ATOM 646 C GLU A 42 8.287 8.310 4.901 1.00 0.54 C ATOM 647 O GLU A 42 8.863 7.585 4.086 1.00 0.56 O ATOM 648 CB GLU A 42 8.937 8.028 7.280 1.00 0.74 C ATOM 649 CG GLU A 42 7.535 7.536 7.637 1.00 0.65 C ATOM 650 CD GLU A 42 7.542 6.692 8.894 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.889 5.497 8.811 1.00 2.02 O ATOM 652 OE2 GLU A 42 7.184 7.209 9.970 1.00 1.17 O ATOM 0 H GLU A 42 7.557 10.151 6.992 1.00 0.69 H new ATOM 0 HA GLU A 42 10.050 9.134 5.823 1.00 0.66 H new ATOM 0 HB2 GLU A 42 9.573 7.163 7.092 1.00 0.74 H new ATOM 0 HB3 GLU A 42 9.354 8.550 8.142 1.00 0.74 H new ATOM 0 HG2 GLU A 42 6.874 8.391 7.776 1.00 0.65 H new ATOM 0 HG3 GLU A 42 7.132 6.953 6.809 1.00 0.65 H new ATOM 659 N SER A 43 7.009 8.633 4.848 1.00 0.48 N ATOM 660 CA SER A 43 6.045 8.009 3.970 1.00 0.43 C ATOM 661 C SER A 43 6.370 8.160 2.505 1.00 0.43 C ATOM 662 O SER A 43 5.893 7.381 1.702 1.00 0.49 O ATOM 663 CB SER A 43 4.697 8.625 4.242 1.00 0.50 C ATOM 664 OG SER A 43 4.830 10.027 4.341 1.00 1.25 O ATOM 0 H SER A 43 6.603 9.361 5.435 1.00 0.48 H new ATOM 0 HA SER A 43 6.059 6.939 4.179 1.00 0.43 H new ATOM 0 HB2 SER A 43 4.001 8.371 3.442 1.00 0.50 H new ATOM 0 HB3 SER A 43 4.281 8.223 5.166 1.00 0.50 H new ATOM 0 HG SER A 43 4.429 10.335 5.180 1.00 1.25 H new ATOM 670 N GLU A 44 7.141 9.165 2.143 1.00 0.46 N ATOM 671 CA GLU A 44 7.499 9.344 0.743 1.00 0.52 C ATOM 672 C GLU A 44 8.159 8.075 0.209 1.00 0.51 C ATOM 673 O GLU A 44 7.796 7.578 -0.850 1.00 0.58 O ATOM 674 CB GLU A 44 8.422 10.546 0.546 1.00 0.61 C ATOM 675 CG GLU A 44 8.793 10.781 -0.907 1.00 0.72 C ATOM 676 CD GLU A 44 9.858 11.840 -1.085 1.00 1.17 C ATOM 677 OE1 GLU A 44 9.515 13.038 -1.152 1.00 1.29 O ATOM 678 OE2 GLU A 44 11.049 11.476 -1.182 1.00 1.91 O ATOM 0 H GLU A 44 7.528 9.860 2.781 1.00 0.46 H new ATOM 0 HA GLU A 44 6.584 9.538 0.184 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.935 11.438 0.939 1.00 0.61 H new ATOM 0 HB3 GLU A 44 9.332 10.397 1.127 1.00 0.61 H new ATOM 0 HG2 GLU A 44 9.144 9.845 -1.342 1.00 0.72 H new ATOM 0 HG3 GLU A 44 7.901 11.075 -1.460 1.00 0.72 H new ATOM 685 N ALA A 45 9.093 7.530 0.978 1.00 0.48 N ATOM 686 CA ALA A 45 9.751 6.284 0.610 1.00 0.48 C ATOM 687 C ALA A 45 8.832 5.101 0.878 1.00 0.41 C ATOM 688 O ALA A 45 8.826 4.122 0.136 1.00 0.41 O ATOM 689 CB ALA A 45 11.059 6.129 1.367 1.00 0.52 C ATOM 0 H ALA A 45 9.411 7.931 1.860 1.00 0.48 H new ATOM 0 HA ALA A 45 9.975 6.311 -0.456 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.537 5.192 1.080 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.719 6.962 1.127 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.860 6.121 2.439 1.00 0.52 H new ATOM 695 N VAL A 46 8.048 5.216 1.942 1.00 0.37 N ATOM 696 CA VAL A 46 7.090 4.191 2.328 1.00 0.34 C ATOM 697 C VAL A 46 6.051 3.968 1.240 1.00 0.34 C ATOM 698 O VAL A 46 5.923 2.873 0.708 1.00 0.39 O ATOM 699 CB VAL A 46 6.352 4.613 3.593 1.00 0.49 C ATOM 700 CG1 VAL A 46 5.306 3.603 3.980 1.00 1.41 C ATOM 701 CG2 VAL A 46 7.300 4.873 4.740 1.00 1.13 C ATOM 0 H VAL A 46 8.059 6.025 2.563 1.00 0.37 H new ATOM 0 HA VAL A 46 7.651 3.271 2.494 1.00 0.34 H new ATOM 0 HB VAL A 46 5.848 5.553 3.367 1.00 0.49 H new ATOM 0 HG11 VAL A 46 4.798 3.934 4.886 1.00 1.41 H new ATOM 0 HG12 VAL A 46 4.580 3.503 3.173 1.00 1.41 H new ATOM 0 HG13 VAL A 46 5.781 2.639 4.162 1.00 1.41 H new ATOM 0 HG21 VAL A 46 6.732 5.171 5.621 1.00 1.13 H new ATOM 0 HG22 VAL A 46 7.862 3.965 4.960 1.00 1.13 H new ATOM 0 HG23 VAL A 46 7.991 5.670 4.467 1.00 1.13 H new ATOM 711 N LYS A 47 5.303 5.021 0.935 1.00 0.34 N ATOM 712 CA LYS A 47 4.242 4.958 -0.054 1.00 0.36 C ATOM 713 C LYS A 47 4.836 4.558 -1.396 1.00 0.39 C ATOM 714 O LYS A 47 4.221 3.829 -2.170 1.00 0.43 O ATOM 715 CB LYS A 47 3.536 6.313 -0.169 1.00 0.38 C ATOM 716 CG LYS A 47 4.354 7.339 -0.918 1.00 0.49 C ATOM 717 CD LYS A 47 3.802 8.744 -0.785 1.00 0.47 C ATOM 718 CE LYS A 47 3.445 9.099 0.648 1.00 0.47 C ATOM 719 NZ LYS A 47 3.184 10.559 0.800 1.00 0.67 N ATOM 0 H LYS A 47 5.417 5.938 1.366 1.00 0.34 H new ATOM 0 HA LYS A 47 3.505 4.216 0.254 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.580 6.177 -0.675 1.00 0.38 H new ATOM 0 HB3 LYS A 47 3.317 6.689 0.830 1.00 0.38 H new ATOM 0 HG2 LYS A 47 5.379 7.320 -0.547 1.00 0.49 H new ATOM 0 HG3 LYS A 47 4.391 7.067 -1.973 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.538 9.456 -1.159 1.00 0.47 H new ATOM 0 HD3 LYS A 47 2.915 8.843 -1.411 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.563 8.537 0.954 1.00 0.47 H new ATOM 0 HE3 LYS A 47 4.258 8.803 1.311 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 3.144 10.801 1.811 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 3.948 11.098 0.345 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 2.277 10.798 0.351 1.00 0.67 H new ATOM 733 N GLN A 48 6.061 5.021 -1.648 1.00 0.40 N ATOM 734 CA GLN A 48 6.768 4.656 -2.859 1.00 0.46 C ATOM 735 C GLN A 48 7.063 3.166 -2.871 1.00 0.45 C ATOM 736 O GLN A 48 6.934 2.514 -3.894 1.00 0.50 O ATOM 737 CB GLN A 48 8.071 5.436 -3.027 1.00 0.52 C ATOM 738 CG GLN A 48 7.913 6.731 -3.805 1.00 0.58 C ATOM 739 CD GLN A 48 7.280 6.530 -5.172 1.00 0.67 C ATOM 740 OE1 GLN A 48 7.518 5.374 -5.774 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 6.594 7.410 -5.688 1.00 0.63 N flip ATOM 0 H GLN A 48 6.576 5.646 -1.028 1.00 0.40 H new ATOM 0 HA GLN A 48 6.117 4.911 -3.695 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.478 5.662 -2.041 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.799 4.804 -3.535 1.00 0.52 H new ATOM 0 HG2 GLN A 48 7.302 7.424 -3.226 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.891 7.196 -3.929 1.00 0.58 H new ATOM 0 HE21 GLN A 48 6.433 8.287 -5.193 1.00 0.63 H new ATOM 0 HE22 GLN A 48 6.186 7.263 -6.611 1.00 0.63 H new ATOM 750 N ALA A 49 7.464 2.636 -1.728 1.00 0.42 N ATOM 751 CA ALA A 49 7.691 1.208 -1.585 1.00 0.41 C ATOM 752 C ALA A 49 6.380 0.452 -1.684 1.00 0.39 C ATOM 753 O ALA A 49 6.312 -0.641 -2.247 1.00 0.42 O ATOM 754 CB ALA A 49 8.354 0.912 -0.258 1.00 0.42 C ATOM 0 H ALA A 49 7.640 3.177 -0.881 1.00 0.42 H new ATOM 0 HA ALA A 49 8.349 0.882 -2.391 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.518 -0.162 -0.165 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.311 1.431 -0.206 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.711 1.253 0.554 1.00 0.42 H new ATOM 760 N LEU A 50 5.336 1.055 -1.145 1.00 0.38 N ATOM 761 CA LEU A 50 4.026 0.440 -1.129 1.00 0.40 C ATOM 762 C LEU A 50 3.396 0.433 -2.513 1.00 0.41 C ATOM 763 O LEU A 50 2.564 -0.416 -2.800 1.00 0.43 O ATOM 764 CB LEU A 50 3.107 1.135 -0.124 1.00 0.45 C ATOM 765 CG LEU A 50 2.727 0.275 1.085 1.00 0.69 C ATOM 766 CD1 LEU A 50 3.914 0.074 2.004 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.561 0.881 1.846 1.00 1.20 C ATOM 0 H LEU A 50 5.373 1.977 -0.710 1.00 0.38 H new ATOM 0 HA LEU A 50 4.157 -0.596 -0.817 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.596 2.042 0.230 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.196 1.443 -0.636 1.00 0.45 H new ATOM 0 HG LEU A 50 2.416 -0.700 0.710 1.00 0.69 H new ATOM 0 HD11 LEU A 50 3.616 -0.540 2.854 1.00 1.33 H new ATOM 0 HD12 LEU A 50 4.716 -0.425 1.459 1.00 1.33 H new ATOM 0 HD13 LEU A 50 4.266 1.042 2.361 1.00 1.33 H new ATOM 0 HD21 LEU A 50 1.315 0.248 2.698 1.00 1.20 H new ATOM 0 HD22 LEU A 50 1.834 1.875 2.199 1.00 1.20 H new ATOM 0 HD23 LEU A 50 0.696 0.955 1.187 1.00 1.20 H new ATOM 779 N ARG A 51 3.803 1.345 -3.394 1.00 0.44 N ATOM 780 CA ARG A 51 3.251 1.336 -4.739 1.00 0.50 C ATOM 781 C ARG A 51 3.975 0.298 -5.561 1.00 0.52 C ATOM 782 O ARG A 51 3.499 -0.132 -6.598 1.00 0.59 O ATOM 783 CB ARG A 51 3.307 2.709 -5.409 1.00 0.53 C ATOM 784 CG ARG A 51 4.680 3.320 -5.541 1.00 0.52 C ATOM 785 CD ARG A 51 5.427 2.801 -6.760 1.00 0.73 C ATOM 786 NE ARG A 51 4.678 3.020 -7.997 1.00 1.21 N ATOM 787 CZ ARG A 51 4.766 2.244 -9.081 1.00 1.63 C ATOM 788 NH1 ARG A 51 5.662 1.267 -9.150 1.00 1.96 N ATOM 789 NH2 ARG A 51 3.975 2.470 -10.122 1.00 2.17 N ATOM 0 H ARG A 51 4.490 2.075 -3.207 1.00 0.44 H new ATOM 0 HA ARG A 51 2.194 1.081 -4.671 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.870 2.625 -6.404 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.678 3.395 -4.842 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.588 4.404 -5.608 1.00 0.52 H new ATOM 0 HG3 ARG A 51 5.259 3.104 -4.643 1.00 0.52 H new ATOM 0 HD2 ARG A 51 6.395 3.297 -6.830 1.00 0.73 H new ATOM 0 HD3 ARG A 51 5.623 1.736 -6.639 1.00 0.73 H new ATOM 0 HE ARG A 51 4.046 3.819 -8.035 1.00 1.21 H new ATOM 0 HH11 ARG A 51 6.296 1.100 -8.368 1.00 1.96 H new ATOM 0 HH12 ARG A 51 5.717 0.683 -9.985 1.00 1.96 H new ATOM 0 HH21 ARG A 51 3.301 3.235 -10.094 1.00 2.17 H new ATOM 0 HH22 ARG A 51 4.041 1.879 -10.950 1.00 2.17 H new ATOM 803 N GLU A 52 5.140 -0.081 -5.066 1.00 0.49 N ATOM 804 CA GLU A 52 5.948 -1.139 -5.649 1.00 0.54 C ATOM 805 C GLU A 52 5.420 -2.496 -5.213 1.00 0.53 C ATOM 806 O GLU A 52 5.117 -3.357 -6.040 1.00 0.58 O ATOM 807 CB GLU A 52 7.387 -0.964 -5.187 1.00 0.59 C ATOM 808 CG GLU A 52 7.936 0.407 -5.506 1.00 0.63 C ATOM 809 CD GLU A 52 8.610 0.451 -6.853 1.00 0.87 C ATOM 810 OE1 GLU A 52 7.898 0.563 -7.869 1.00 1.07 O ATOM 811 OE2 GLU A 52 9.854 0.382 -6.898 1.00 1.10 O ATOM 0 H GLU A 52 5.557 0.342 -4.237 1.00 0.49 H new ATOM 0 HA GLU A 52 5.901 -1.084 -6.737 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.443 -1.133 -4.112 1.00 0.59 H new ATOM 0 HB3 GLU A 52 8.012 -1.721 -5.661 1.00 0.59 H new ATOM 0 HG2 GLU A 52 7.125 1.135 -5.483 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.649 0.699 -4.735 1.00 0.63 H new ATOM 818 N ALA A 53 5.309 -2.669 -3.900 1.00 0.49 N ATOM 819 CA ALA A 53 4.743 -3.879 -3.326 1.00 0.48 C ATOM 820 C ALA A 53 3.291 -4.022 -3.749 1.00 0.49 C ATOM 821 O ALA A 53 2.829 -5.112 -4.082 1.00 0.53 O ATOM 822 CB ALA A 53 4.861 -3.843 -1.808 1.00 0.45 C ATOM 0 H ALA A 53 5.607 -1.979 -3.211 1.00 0.49 H new ATOM 0 HA ALA A 53 5.298 -4.743 -3.693 1.00 0.48 H new ATOM 0 HB1 ALA A 53 4.434 -4.754 -1.388 1.00 0.45 H new ATOM 0 HB2 ALA A 53 5.912 -3.771 -1.526 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.322 -2.978 -1.422 1.00 0.45 H new ATOM 828 N GLY A 54 2.585 -2.899 -3.741 1.00 0.49 N ATOM 829 CA GLY A 54 1.222 -2.868 -4.211 1.00 0.53 C ATOM 830 C GLY A 54 1.139 -3.193 -5.684 1.00 0.60 C ATOM 831 O GLY A 54 0.290 -3.971 -6.089 1.00 0.70 O ATOM 0 H GLY A 54 2.941 -2.001 -3.412 1.00 0.49 H new ATOM 0 HA2 GLY A 54 0.624 -3.582 -3.645 1.00 0.53 H new ATOM 0 HA3 GLY A 54 0.796 -1.881 -4.030 1.00 0.53 H new ATOM 835 N ASP A 55 2.048 -2.613 -6.473 1.00 0.61 N ATOM 836 CA ASP A 55 2.112 -2.865 -7.917 1.00 0.69 C ATOM 837 C ASP A 55 2.177 -4.353 -8.206 1.00 0.70 C ATOM 838 O ASP A 55 1.405 -4.864 -9.005 1.00 0.79 O ATOM 839 CB ASP A 55 3.335 -2.177 -8.530 1.00 0.73 C ATOM 840 CG ASP A 55 3.555 -2.535 -9.984 1.00 0.85 C ATOM 841 OD1 ASP A 55 2.863 -1.956 -10.849 1.00 1.04 O ATOM 842 OD2 ASP A 55 4.394 -3.414 -10.271 1.00 0.82 O ATOM 0 H ASP A 55 2.755 -1.961 -6.133 1.00 0.61 H new ATOM 0 HA ASP A 55 1.206 -2.456 -8.364 1.00 0.69 H new ATOM 0 HB2 ASP A 55 3.218 -1.097 -8.442 1.00 0.73 H new ATOM 0 HB3 ASP A 55 4.222 -2.449 -7.957 1.00 0.73 H new ATOM 847 N GLU A 56 3.092 -5.040 -7.533 1.00 0.66 N ATOM 848 CA GLU A 56 3.263 -6.480 -7.697 1.00 0.74 C ATOM 849 C GLU A 56 2.037 -7.231 -7.211 1.00 0.77 C ATOM 850 O GLU A 56 1.745 -8.322 -7.686 1.00 0.88 O ATOM 851 CB GLU A 56 4.504 -6.955 -6.946 1.00 0.79 C ATOM 852 CG GLU A 56 5.775 -6.266 -7.403 1.00 1.24 C ATOM 853 CD GLU A 56 7.021 -6.882 -6.812 1.00 1.52 C ATOM 854 OE1 GLU A 56 7.328 -6.605 -5.635 1.00 2.29 O ATOM 855 OE2 GLU A 56 7.712 -7.629 -7.538 1.00 1.43 O ATOM 0 H GLU A 56 3.734 -4.618 -6.861 1.00 0.66 H new ATOM 0 HA GLU A 56 3.392 -6.688 -8.759 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.366 -6.779 -5.879 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.613 -8.031 -7.080 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.835 -6.309 -8.491 1.00 1.24 H new ATOM 0 HG3 GLU A 56 5.731 -5.212 -7.128 1.00 1.24 H new ATOM 862 N PHE A 57 1.334 -6.651 -6.260 1.00 0.71 N ATOM 863 CA PHE A 57 0.113 -7.246 -5.745 1.00 0.75 C ATOM 864 C PHE A 57 -1.089 -6.962 -6.650 1.00 0.78 C ATOM 865 O PHE A 57 -2.086 -7.681 -6.607 1.00 0.91 O ATOM 866 CB PHE A 57 -0.134 -6.770 -4.311 1.00 0.76 C ATOM 867 CG PHE A 57 0.190 -7.821 -3.292 1.00 1.09 C ATOM 868 CD1 PHE A 57 0.926 -8.938 -3.639 1.00 1.37 C ATOM 869 CD2 PHE A 57 -0.238 -7.683 -1.982 1.00 1.71 C ATOM 870 CE1 PHE A 57 1.228 -9.901 -2.697 1.00 1.79 C ATOM 871 CE2 PHE A 57 0.063 -8.640 -1.037 1.00 2.29 C ATOM 872 CZ PHE A 57 0.783 -9.781 -1.423 1.00 2.20 C ATOM 0 H PHE A 57 1.587 -5.764 -5.825 1.00 0.71 H new ATOM 0 HA PHE A 57 0.239 -8.329 -5.734 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.469 -5.883 -4.117 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -1.178 -6.475 -4.204 1.00 0.76 H new ATOM 0 HD1 PHE A 57 1.268 -9.059 -4.656 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -0.814 -6.815 -1.698 1.00 1.71 H new ATOM 0 HE1 PHE A 57 1.824 -10.757 -2.978 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -0.252 -8.513 -0.012 1.00 2.29 H new ATOM 0 HZ PHE A 57 0.982 -10.563 -0.705 1.00 2.20 H new ATOM 882 N GLU A 58 -0.982 -5.937 -7.492 1.00 0.73 N ATOM 883 CA GLU A 58 -2.076 -5.561 -8.387 1.00 0.82 C ATOM 884 C GLU A 58 -2.393 -6.680 -9.366 1.00 0.82 C ATOM 885 O GLU A 58 -3.522 -7.154 -9.417 1.00 0.89 O ATOM 886 CB GLU A 58 -1.739 -4.284 -9.155 1.00 0.86 C ATOM 887 CG GLU A 58 -1.444 -3.109 -8.251 1.00 0.91 C ATOM 888 CD GLU A 58 -1.137 -1.832 -9.002 1.00 0.93 C ATOM 889 OE1 GLU A 58 -1.104 -1.866 -10.250 1.00 1.30 O ATOM 890 OE2 GLU A 58 -0.912 -0.790 -8.353 1.00 1.24 O ATOM 0 H GLU A 58 -0.150 -5.352 -7.574 1.00 0.73 H new ATOM 0 HA GLU A 58 -2.955 -5.379 -7.769 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -0.876 -4.469 -9.794 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -2.572 -4.030 -9.810 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -2.300 -2.940 -7.597 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -0.598 -3.357 -7.611 1.00 0.91 H new ATOM 897 N LEU A 59 -1.395 -7.103 -10.133 1.00 0.81 N ATOM 898 CA LEU A 59 -1.576 -8.182 -11.096 1.00 0.87 C ATOM 899 C LEU A 59 -1.939 -9.483 -10.403 1.00 0.85 C ATOM 900 O LEU A 59 -2.654 -10.308 -10.963 1.00 0.96 O ATOM 901 CB LEU A 59 -0.341 -8.370 -12.002 1.00 0.96 C ATOM 902 CG LEU A 59 1.052 -8.475 -11.347 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.372 -7.292 -10.489 1.00 1.54 C ATOM 904 CD2 LEU A 59 1.246 -9.759 -10.570 1.00 1.46 C ATOM 0 H LEU A 59 -0.452 -6.715 -10.107 1.00 0.81 H new ATOM 0 HA LEU A 59 -2.407 -7.893 -11.739 1.00 0.87 H new ATOM 0 HB2 LEU A 59 -0.498 -9.274 -12.591 1.00 0.96 H new ATOM 0 HB3 LEU A 59 -0.315 -7.535 -12.702 1.00 0.96 H new ATOM 0 HG LEU A 59 1.756 -8.488 -12.179 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.363 -7.417 -10.052 1.00 1.54 H new ATOM 0 HD12 LEU A 59 1.354 -6.387 -11.096 1.00 1.54 H new ATOM 0 HD13 LEU A 59 0.632 -7.209 -9.693 1.00 1.54 H new ATOM 0 HD21 LEU A 59 2.245 -9.773 -10.134 1.00 1.46 H new ATOM 0 HD22 LEU A 59 0.502 -9.820 -9.776 1.00 1.46 H new ATOM 0 HD23 LEU A 59 1.131 -10.611 -11.240 1.00 1.46 H new ATOM 916 N ARG A 60 -1.428 -9.665 -9.194 1.00 0.83 N ATOM 917 CA ARG A 60 -1.813 -10.816 -8.375 1.00 0.90 C ATOM 918 C ARG A 60 -3.337 -10.946 -8.302 1.00 0.98 C ATOM 919 O ARG A 60 -3.894 -12.009 -8.565 1.00 1.15 O ATOM 920 CB ARG A 60 -1.261 -10.717 -6.948 1.00 1.03 C ATOM 921 CG ARG A 60 0.248 -10.580 -6.862 1.00 1.00 C ATOM 922 CD ARG A 60 0.980 -11.776 -7.444 1.00 1.07 C ATOM 923 NE ARG A 60 2.421 -11.538 -7.510 1.00 1.41 N ATOM 924 CZ ARG A 60 3.348 -12.493 -7.431 1.00 1.94 C ATOM 925 NH1 ARG A 60 2.992 -13.763 -7.275 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.632 -12.176 -7.512 1.00 2.58 N ATOM 0 H ARG A 60 -0.751 -9.039 -8.757 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.385 -11.696 -8.856 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -1.719 -9.860 -6.454 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -1.564 -11.605 -6.393 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.557 -9.678 -7.390 1.00 1.00 H new ATOM 0 HG3 ARG A 60 0.538 -10.454 -5.819 1.00 1.00 H new ATOM 0 HD2 ARG A 60 0.783 -12.658 -6.834 1.00 1.07 H new ATOM 0 HD3 ARG A 60 0.598 -11.988 -8.443 1.00 1.07 H new ATOM 0 HE ARG A 60 2.739 -10.576 -7.624 1.00 1.41 H new ATOM 0 HH11 ARG A 60 2.005 -14.012 -7.215 1.00 2.43 H new ATOM 0 HH12 ARG A 60 3.706 -14.489 -7.215 1.00 2.43 H new ATOM 0 HH21 ARG A 60 4.910 -11.202 -7.635 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.342 -12.906 -7.452 1.00 2.58 H new ATOM 940 N TYR A 61 -4.003 -9.854 -7.935 1.00 1.04 N ATOM 941 CA TYR A 61 -5.459 -9.842 -7.800 1.00 1.26 C ATOM 942 C TYR A 61 -6.148 -9.395 -9.095 1.00 1.32 C ATOM 943 O TYR A 61 -7.375 -9.379 -9.171 1.00 1.59 O ATOM 944 CB TYR A 61 -5.884 -8.915 -6.658 1.00 1.52 C ATOM 945 CG TYR A 61 -5.163 -9.162 -5.352 1.00 2.19 C ATOM 946 CD1 TYR A 61 -5.222 -10.405 -4.735 1.00 2.84 C ATOM 947 CD2 TYR A 61 -4.429 -8.158 -4.738 1.00 2.70 C ATOM 948 CE1 TYR A 61 -4.570 -10.639 -3.540 1.00 3.86 C ATOM 949 CE2 TYR A 61 -3.774 -8.387 -3.542 1.00 3.67 C ATOM 950 CZ TYR A 61 -3.826 -9.606 -2.956 1.00 4.23 C ATOM 951 OH TYR A 61 -3.196 -9.858 -1.761 1.00 5.32 O ATOM 0 H TYR A 61 -3.556 -8.962 -7.725 1.00 1.04 H new ATOM 0 HA TYR A 61 -5.768 -10.864 -7.580 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -5.715 -7.882 -6.963 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -6.956 -9.028 -6.494 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -5.787 -11.201 -5.197 1.00 2.84 H new ATOM 0 HD2 TYR A 61 -4.368 -7.184 -5.200 1.00 2.70 H new ATOM 0 HE1 TYR A 61 -4.633 -11.606 -3.062 1.00 3.86 H new ATOM 0 HE2 TYR A 61 -3.218 -7.589 -3.073 1.00 3.67 H new ATOM 0 HH TYR A 61 -2.324 -9.410 -1.750 1.00 5.32 H new ATOM 961 N ARG A 62 -5.350 -9.018 -10.092 1.00 1.28 N ATOM 962 CA ARG A 62 -5.853 -8.386 -11.321 1.00 1.39 C ATOM 963 C ARG A 62 -7.000 -9.165 -11.952 1.00 1.07 C ATOM 964 O ARG A 62 -8.048 -8.598 -12.250 1.00 1.30 O ATOM 965 CB ARG A 62 -4.722 -8.231 -12.341 1.00 1.72 C ATOM 966 CG ARG A 62 -5.140 -7.518 -13.617 1.00 2.15 C ATOM 967 CD ARG A 62 -5.581 -6.089 -13.343 1.00 2.51 C ATOM 968 NE ARG A 62 -4.489 -5.269 -12.821 1.00 3.10 N ATOM 969 CZ ARG A 62 -4.665 -4.168 -12.094 1.00 3.59 C ATOM 970 NH1 ARG A 62 -5.891 -3.752 -11.783 1.00 3.59 N ATOM 971 NH2 ARG A 62 -3.610 -3.479 -11.676 1.00 4.48 N ATOM 0 H ARG A 62 -4.337 -9.140 -10.076 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.236 -7.406 -11.035 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -3.902 -7.680 -11.880 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.338 -9.219 -12.597 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -4.308 -7.514 -14.321 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -5.955 -8.066 -14.090 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -5.961 -5.644 -14.263 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -6.404 -6.094 -12.628 1.00 2.51 H new ATOM 0 HE ARG A 62 -3.533 -5.559 -13.027 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -6.704 -4.278 -12.102 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -6.017 -2.907 -11.225 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -2.669 -3.794 -11.912 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -3.740 -2.635 -11.119 1.00 4.48 H new ATOM 985 N ARG A 63 -6.801 -10.458 -12.144 1.00 0.98 N ATOM 986 CA ARG A 63 -7.796 -11.309 -12.791 1.00 1.19 C ATOM 987 C ARG A 63 -9.002 -11.535 -11.880 1.00 1.20 C ATOM 988 O ARG A 63 -10.074 -11.941 -12.330 1.00 1.45 O ATOM 989 CB ARG A 63 -7.152 -12.651 -13.149 1.00 1.61 C ATOM 990 CG ARG A 63 -8.056 -13.600 -13.914 1.00 2.18 C ATOM 991 CD ARG A 63 -7.450 -14.991 -13.975 1.00 2.52 C ATOM 992 NE ARG A 63 -7.293 -15.569 -12.640 1.00 3.12 N ATOM 993 CZ ARG A 63 -6.376 -16.479 -12.317 1.00 3.84 C ATOM 994 NH1 ARG A 63 -5.488 -16.883 -13.215 1.00 4.07 N ATOM 995 NH2 ARG A 63 -6.339 -16.969 -11.082 1.00 4.72 N ATOM 0 H ARG A 63 -5.953 -10.948 -11.860 1.00 0.98 H new ATOM 0 HA ARG A 63 -8.147 -10.813 -13.696 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -6.258 -12.463 -13.743 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.827 -13.140 -12.231 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -9.033 -13.645 -13.433 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -8.215 -13.223 -14.924 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -8.084 -15.639 -14.580 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -6.479 -14.944 -14.468 1.00 2.52 H new ATOM 0 HE ARG A 63 -7.929 -15.254 -11.907 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -5.505 -16.496 -14.159 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -4.788 -17.580 -12.962 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -7.011 -16.648 -10.386 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -5.638 -17.666 -10.831 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.829 -11.244 -10.601 1.00 1.07 N ATOM 1010 CA ALA A 64 -9.835 -11.563 -9.606 1.00 1.09 C ATOM 1011 C ALA A 64 -10.838 -10.432 -9.407 1.00 1.08 C ATOM 1012 O ALA A 64 -12.023 -10.695 -9.248 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.169 -11.904 -8.283 1.00 1.17 C ATOM 0 H ALA A 64 -7.997 -10.786 -10.228 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.390 -12.426 -9.975 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -9.932 -12.142 -7.542 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -8.513 -12.764 -8.417 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.584 -11.051 -7.940 1.00 1.17 H new ATOM 1019 N PHE A 65 -10.369 -9.183 -9.429 1.00 1.14 N ATOM 1020 CA PHE A 65 -11.201 -8.025 -9.057 1.00 1.22 C ATOM 1021 C PHE A 65 -12.600 -8.058 -9.685 1.00 1.19 C ATOM 1022 O PHE A 65 -13.599 -7.844 -8.996 1.00 1.22 O ATOM 1023 CB PHE A 65 -10.532 -6.707 -9.446 1.00 1.47 C ATOM 1024 CG PHE A 65 -9.242 -6.404 -8.739 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -9.197 -6.332 -7.356 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -8.069 -6.230 -9.453 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -8.008 -6.083 -6.699 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -6.875 -5.984 -8.801 1.00 2.59 C ATOM 1029 CZ PHE A 65 -6.865 -5.780 -7.440 1.00 2.81 C ATOM 0 H PHE A 65 -9.416 -8.942 -9.700 1.00 1.14 H new ATOM 0 HA PHE A 65 -11.308 -8.090 -7.974 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -10.344 -6.718 -10.520 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -11.232 -5.894 -9.253 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -10.103 -6.472 -6.785 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -8.087 -6.287 -10.531 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -7.963 -6.122 -5.621 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -5.951 -5.952 -9.359 1.00 2.59 H new ATOM 0 HZ PHE A 65 -5.984 -5.390 -6.952 1.00 2.81 H new ATOM 1039 N SER A 66 -12.669 -8.345 -10.979 1.00 1.20 N ATOM 1040 CA SER A 66 -13.933 -8.300 -11.712 1.00 1.24 C ATOM 1041 C SER A 66 -14.897 -9.381 -11.220 1.00 1.13 C ATOM 1042 O SER A 66 -16.118 -9.235 -11.312 1.00 1.16 O ATOM 1043 CB SER A 66 -13.677 -8.458 -13.212 1.00 1.45 C ATOM 1044 OG SER A 66 -14.860 -8.245 -13.967 1.00 2.19 O ATOM 0 H SER A 66 -11.864 -8.612 -11.546 1.00 1.20 H new ATOM 0 HA SER A 66 -14.396 -7.330 -11.530 1.00 1.24 H new ATOM 0 HB2 SER A 66 -12.910 -7.751 -13.528 1.00 1.45 H new ATOM 0 HB3 SER A 66 -13.291 -9.457 -13.413 1.00 1.45 H new ATOM 0 HG SER A 66 -14.663 -8.352 -14.921 1.00 2.19 H new ATOM 1050 N ASP A 67 -14.347 -10.464 -10.698 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.155 -11.530 -10.120 1.00 1.08 C ATOM 1052 C ASP A 67 -15.406 -11.236 -8.647 1.00 0.97 C ATOM 1053 O ASP A 67 -16.477 -11.513 -8.110 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.447 -12.879 -10.279 1.00 1.18 C ATOM 1055 CG ASP A 67 -15.249 -14.036 -9.710 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -16.304 -14.376 -10.283 1.00 2.06 O ATOM 1057 OD2 ASP A 67 -14.828 -14.607 -8.680 1.00 2.72 O ATOM 0 H ASP A 67 -13.341 -10.631 -10.661 1.00 1.09 H new ATOM 0 HA ASP A 67 -16.110 -11.579 -10.643 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -14.256 -13.061 -11.336 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -13.478 -12.836 -9.782 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.410 -10.632 -8.016 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.450 -10.335 -6.595 1.00 0.85 C ATOM 1064 C LEU A 68 -15.508 -9.303 -6.244 1.00 0.76 C ATOM 1065 O LEU A 68 -16.068 -9.357 -5.161 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.084 -9.860 -6.110 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.146 -10.958 -5.609 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -12.143 -12.153 -6.545 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -10.750 -10.402 -5.447 1.00 1.56 C ATOM 0 H LEU A 68 -13.550 -10.334 -8.477 1.00 0.89 H new ATOM 0 HA LEU A 68 -14.717 -11.262 -6.088 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.592 -9.330 -6.926 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.234 -9.139 -5.306 1.00 0.91 H new ATOM 0 HG LEU A 68 -12.507 -11.304 -4.640 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -11.466 -12.915 -6.160 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -13.150 -12.564 -6.614 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -11.811 -11.839 -7.535 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -10.085 -11.188 -5.090 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.392 -10.032 -6.408 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -10.765 -9.584 -4.726 1.00 1.56 H new ATOM 1081 N THR A 69 -15.798 -8.371 -7.141 1.00 0.70 N ATOM 1082 CA THR A 69 -16.810 -7.364 -6.848 1.00 0.62 C ATOM 1083 C THR A 69 -18.164 -8.017 -6.609 1.00 0.63 C ATOM 1084 O THR A 69 -19.012 -7.470 -5.909 1.00 0.60 O ATOM 1085 CB THR A 69 -16.921 -6.306 -7.955 1.00 0.62 C ATOM 1086 OG1 THR A 69 -16.924 -6.929 -9.244 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.773 -5.325 -7.859 1.00 0.63 C ATOM 0 H THR A 69 -15.359 -8.290 -8.058 1.00 0.70 H new ATOM 0 HA THR A 69 -16.492 -6.852 -5.939 1.00 0.62 H new ATOM 0 HB THR A 69 -17.859 -5.767 -7.824 1.00 0.62 H new ATOM 0 HG1 THR A 69 -16.997 -6.242 -9.939 1.00 0.69 H new ATOM 0 HG21 THR A 69 -15.864 -4.580 -8.650 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.798 -4.829 -6.889 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.829 -5.858 -7.969 1.00 0.63 H new ATOM 1095 N SER A 70 -18.337 -9.207 -7.165 1.00 0.72 N ATOM 1096 CA SER A 70 -19.506 -10.017 -6.896 1.00 0.80 C ATOM 1097 C SER A 70 -19.357 -10.684 -5.533 1.00 0.76 C ATOM 1098 O SER A 70 -20.302 -10.748 -4.750 1.00 0.76 O ATOM 1099 CB SER A 70 -19.661 -11.079 -7.985 1.00 0.96 C ATOM 1100 OG SER A 70 -20.855 -11.828 -7.819 1.00 1.34 O ATOM 0 H SER A 70 -17.672 -9.633 -7.811 1.00 0.72 H new ATOM 0 HA SER A 70 -20.394 -9.385 -6.891 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.665 -10.599 -8.964 1.00 0.96 H new ATOM 0 HB3 SER A 70 -18.803 -11.751 -7.963 1.00 0.96 H new ATOM 0 HG SER A 70 -20.924 -12.497 -8.532 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.143 -11.154 -5.258 1.00 0.77 N ATOM 1107 CA GLN A 71 -17.821 -11.820 -4.002 1.00 0.77 C ATOM 1108 C GLN A 71 -18.042 -10.881 -2.827 1.00 0.67 C ATOM 1109 O GLN A 71 -18.699 -11.232 -1.847 1.00 0.74 O ATOM 1110 CB GLN A 71 -16.364 -12.293 -4.016 1.00 0.81 C ATOM 1111 CG GLN A 71 -16.022 -13.155 -5.207 1.00 0.99 C ATOM 1112 CD GLN A 71 -14.765 -13.971 -4.996 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -13.850 -13.460 -4.189 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -14.619 -15.061 -5.541 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.355 -11.083 -5.902 1.00 0.77 H new ATOM 0 HA GLN A 71 -18.479 -12.682 -3.892 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -15.708 -11.423 -4.007 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -16.163 -12.853 -3.103 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -16.855 -13.826 -5.416 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -15.896 -12.521 -6.085 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -15.346 -15.424 -6.158 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -13.771 -15.603 -5.377 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.492 -9.681 -2.941 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.624 -8.679 -1.901 1.00 0.55 C ATOM 1125 C LEU A 72 -19.018 -8.065 -1.922 1.00 0.47 C ATOM 1126 O LEU A 72 -19.553 -7.690 -0.884 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.582 -7.568 -2.085 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.114 -8.003 -2.028 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.433 -7.751 -3.363 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.386 -7.263 -0.917 1.00 1.35 C ATOM 0 H LEU A 72 -16.948 -9.379 -3.749 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.461 -9.171 -0.942 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.760 -7.087 -3.047 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.746 -6.813 -1.316 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.078 -9.072 -1.817 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.391 -8.066 -3.305 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -14.940 -8.318 -4.143 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -14.478 -6.688 -3.600 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.344 -7.583 -0.889 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.432 -6.190 -1.104 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.860 -7.485 0.039 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.606 -7.992 -3.113 1.00 0.48 N ATOM 1143 CA HIS A 73 -20.866 -7.277 -3.320 1.00 0.48 C ATOM 1144 C HIS A 73 -20.641 -5.793 -3.084 1.00 0.43 C ATOM 1145 O HIS A 73 -21.236 -5.183 -2.196 1.00 0.52 O ATOM 1146 CB HIS A 73 -21.993 -7.802 -2.417 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.401 -9.211 -2.709 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -22.162 -10.258 -1.846 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -23.042 -9.743 -3.774 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -22.635 -11.373 -2.369 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -23.175 -11.087 -3.536 1.00 2.62 N ATOM 0 H HIS A 73 -19.228 -8.422 -3.957 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.186 -7.447 -4.348 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.672 -7.736 -1.377 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -22.862 -7.153 -2.524 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -23.385 -9.210 -4.648 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -22.588 -12.353 -1.917 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -23.621 -11.758 -4.162 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.740 -5.244 -3.880 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.358 -3.845 -3.801 1.00 0.41 C ATOM 1162 C ILE A 74 -20.554 -2.930 -4.021 1.00 0.49 C ATOM 1163 O ILE A 74 -21.112 -2.856 -5.119 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.270 -3.558 -4.841 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.078 -4.475 -4.581 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -17.850 -2.101 -4.790 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.302 -4.115 -3.335 1.00 0.39 C ATOM 0 H ILE A 74 -19.248 -5.763 -4.607 1.00 0.45 H new ATOM 0 HA ILE A 74 -18.972 -3.646 -2.801 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.663 -3.753 -5.839 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.432 -5.502 -4.495 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.408 -4.439 -5.440 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.077 -1.919 -5.536 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -18.712 -1.466 -4.998 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.459 -1.869 -3.799 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.469 -4.808 -3.212 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -15.918 -3.099 -3.426 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -16.958 -4.178 -2.467 1.00 0.39 H new ATOM 1179 N THR A 75 -20.920 -2.232 -2.964 1.00 0.38 N ATOM 1180 CA THR A 75 -22.151 -1.474 -2.917 1.00 0.40 C ATOM 1181 C THR A 75 -21.950 -0.307 -1.919 1.00 0.37 C ATOM 1182 O THR A 75 -20.804 -0.057 -1.537 1.00 0.34 O ATOM 1183 CB THR A 75 -23.290 -2.452 -2.499 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.531 -2.107 -3.130 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.469 -2.509 -0.986 1.00 0.46 C ATOM 0 H THR A 75 -20.367 -2.176 -2.109 1.00 0.38 H new ATOM 0 HA THR A 75 -22.424 -1.039 -3.878 1.00 0.40 H new ATOM 0 HB THR A 75 -22.990 -3.443 -2.838 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.227 -2.738 -2.851 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.273 -3.203 -0.741 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.543 -2.849 -0.523 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.719 -1.516 -0.612 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.007 0.473 -1.557 1.00 0.38 N ATOM 1194 CA PRO A 76 -23.016 1.402 -0.417 1.00 0.37 C ATOM 1195 C PRO A 76 -22.124 0.989 0.761 1.00 0.35 C ATOM 1196 O PRO A 76 -21.674 -0.150 0.844 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.491 1.408 0.007 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.260 0.811 -1.136 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.284 0.584 -2.260 1.00 0.44 C ATOM 0 HA PRO A 76 -22.612 2.372 -0.708 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.636 0.828 0.918 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.831 2.422 0.217 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.727 -0.127 -0.837 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -26.061 1.479 -1.451 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.517 -0.320 -2.822 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.285 1.411 -2.971 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.905 1.958 1.662 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.958 1.866 2.785 1.00 0.37 C ATOM 1209 C GLY A 77 -20.698 0.482 3.368 1.00 0.38 C ATOM 1210 O GLY A 77 -19.597 0.220 3.846 1.00 0.40 O ATOM 0 H GLY A 77 -22.395 2.852 1.629 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -20.004 2.278 2.456 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.323 2.507 3.587 1.00 0.37 H new ATOM 1214 N THR A 78 -21.676 -0.407 3.318 1.00 0.40 N ATOM 1215 CA THR A 78 -21.528 -1.749 3.856 1.00 0.42 C ATOM 1216 C THR A 78 -20.528 -2.587 3.052 1.00 0.38 C ATOM 1217 O THR A 78 -20.340 -3.776 3.319 1.00 0.40 O ATOM 1218 CB THR A 78 -22.887 -2.458 3.912 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.534 -2.378 2.635 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.759 -1.809 4.966 1.00 0.56 C ATOM 0 H THR A 78 -22.590 -0.220 2.906 1.00 0.40 H new ATOM 0 HA THR A 78 -21.133 -1.648 4.867 1.00 0.42 H new ATOM 0 HB THR A 78 -22.731 -3.506 4.168 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.400 -2.834 2.678 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.723 -2.316 5.003 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.272 -1.885 5.938 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.910 -0.759 4.717 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.863 -1.953 2.090 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.770 -2.579 1.367 1.00 0.31 C ATOM 1230 C ALA A 79 -17.562 -2.729 2.279 1.00 0.30 C ATOM 1231 O ALA A 79 -16.615 -3.440 1.960 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.404 -1.775 0.130 1.00 0.32 C ATOM 0 H ALA A 79 -20.068 -0.998 1.794 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.094 -3.567 1.042 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.583 -2.266 -0.393 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.268 -1.711 -0.531 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.098 -0.772 0.426 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.602 -2.055 3.426 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.543 -2.194 4.415 1.00 0.36 C ATOM 1240 C TYR A 80 -16.730 -3.489 5.186 1.00 0.36 C ATOM 1241 O TYR A 80 -15.819 -3.968 5.851 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.501 -0.991 5.364 1.00 0.44 C ATOM 1243 CG TYR A 80 -17.426 -1.063 6.563 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -18.796 -0.883 6.434 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -16.912 -1.283 7.836 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -19.627 -0.919 7.536 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -17.737 -1.328 8.940 1.00 2.52 C ATOM 1248 CZ TYR A 80 -19.093 -1.144 8.786 1.00 3.12 C ATOM 1249 OH TYR A 80 -19.916 -1.174 9.888 1.00 4.13 O ATOM 0 H TYR A 80 -18.350 -1.414 3.690 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.586 -2.226 3.895 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -15.479 -0.872 5.724 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -16.745 -0.094 4.794 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -19.219 -0.712 5.455 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -15.848 -1.421 7.962 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -20.690 -0.772 7.419 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -17.322 -1.507 9.921 1.00 2.52 H new ATOM 0 HH TYR A 80 -19.381 -1.345 10.691 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.927 -4.049 5.083 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.197 -5.379 5.612 1.00 0.41 C ATOM 1261 C GLN A 81 -17.793 -6.425 4.590 1.00 0.41 C ATOM 1262 O GLN A 81 -17.504 -7.574 4.919 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.666 -5.551 5.984 1.00 0.45 C ATOM 1264 CG GLN A 81 -20.020 -4.976 7.342 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.376 -5.441 7.826 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -21.489 -6.470 8.494 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.415 -4.692 7.499 1.00 0.79 N ATOM 0 H GLN A 81 -18.728 -3.602 4.637 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.610 -5.506 6.522 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.283 -5.072 5.224 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.913 -6.613 5.973 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.259 -5.266 8.067 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -20.010 -3.887 7.287 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -22.280 -3.847 6.944 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.352 -4.959 7.801 1.00 0.79 H new ATOM 1276 N SER A 82 -17.786 -6.001 3.350 1.00 0.39 N ATOM 1277 CA SER A 82 -17.271 -6.803 2.256 1.00 0.41 C ATOM 1278 C SER A 82 -15.753 -6.841 2.330 1.00 0.41 C ATOM 1279 O SER A 82 -15.138 -7.904 2.335 1.00 0.48 O ATOM 1280 CB SER A 82 -17.719 -6.189 0.936 1.00 0.41 C ATOM 1281 OG SER A 82 -19.113 -5.932 0.953 1.00 0.43 O ATOM 0 H SER A 82 -18.138 -5.087 3.065 1.00 0.39 H new ATOM 0 HA SER A 82 -17.653 -7.821 2.326 1.00 0.41 H new ATOM 0 HB2 SER A 82 -17.175 -5.262 0.757 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.478 -6.864 0.115 1.00 0.41 H new ATOM 0 HG SER A 82 -19.550 -6.449 0.244 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.163 -5.658 2.414 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.731 -5.515 2.596 1.00 0.37 C ATOM 1289 C PHE A 83 -13.327 -6.031 3.981 1.00 0.38 C ATOM 1290 O PHE A 83 -12.158 -6.303 4.243 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.318 -4.052 2.376 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.847 -3.798 2.538 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.964 -4.072 1.508 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.349 -3.283 3.723 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.613 -3.839 1.658 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -9.998 -3.047 3.878 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.126 -3.332 2.830 1.00 1.18 C ATOM 0 H PHE A 83 -15.665 -4.772 2.358 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.202 -6.117 1.857 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.620 -3.747 1.374 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.864 -3.422 3.079 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -11.337 -4.473 0.577 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -12.026 -3.063 4.536 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.936 -4.058 0.845 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.620 -2.644 4.806 1.00 1.05 H new ATOM 0 HZ PHE A 83 -8.067 -3.153 2.943 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.312 -6.167 4.863 1.00 0.41 N ATOM 1308 CA GLU A 84 -14.092 -6.752 6.180 1.00 0.48 C ATOM 1309 C GLU A 84 -13.544 -8.157 6.043 1.00 0.52 C ATOM 1310 O GLU A 84 -12.573 -8.523 6.694 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.394 -6.813 6.963 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.248 -7.436 8.332 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.525 -7.376 9.139 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.417 -8.221 8.919 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -16.648 -6.469 9.987 1.00 0.80 O ATOM 0 H GLU A 84 -15.274 -5.878 4.688 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.377 -6.124 6.711 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.790 -5.803 7.073 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -16.126 -7.382 6.390 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.941 -8.476 8.223 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.454 -6.925 8.877 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.202 -8.938 5.203 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.755 -10.283 4.847 1.00 0.65 C ATOM 1324 C GLN A 85 -12.278 -10.289 4.501 1.00 0.64 C ATOM 1325 O GLN A 85 -11.551 -11.231 4.810 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.543 -10.764 3.638 1.00 0.69 C ATOM 1327 CG GLN A 85 -16.032 -10.644 3.830 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.826 -11.028 2.598 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.377 -10.844 1.469 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -18.015 -11.567 2.808 1.00 1.62 N ATOM 0 H GLN A 85 -15.068 -8.659 4.743 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.919 -10.941 5.701 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.246 -10.187 2.763 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.290 -11.804 3.435 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -16.337 -11.278 4.663 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.275 -9.618 4.105 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -18.352 -11.703 3.761 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -18.595 -11.847 2.017 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.858 -9.208 3.881 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.507 -9.070 3.392 1.00 0.62 C ATOM 1341 C VAL A 86 -9.576 -8.640 4.514 1.00 0.55 C ATOM 1342 O VAL A 86 -8.535 -9.227 4.744 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.434 -8.033 2.272 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -9.258 -8.355 1.390 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -11.727 -7.995 1.475 1.00 1.30 C ATOM 0 H VAL A 86 -12.449 -8.396 3.702 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.198 -10.041 3.006 1.00 0.62 H new ATOM 0 HB VAL A 86 -10.300 -7.041 2.704 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -9.195 -7.622 0.586 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.342 -8.326 1.980 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.384 -9.350 0.964 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.646 -7.248 0.685 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -11.910 -8.974 1.032 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.554 -7.736 2.136 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.955 -7.612 5.232 1.00 0.51 N ATOM 1356 CA VAL A 87 -9.135 -7.150 6.333 1.00 0.51 C ATOM 1357 C VAL A 87 -9.026 -8.245 7.401 1.00 0.56 C ATOM 1358 O VAL A 87 -8.084 -8.283 8.194 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.699 -5.848 6.933 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.997 -6.084 7.686 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.674 -5.184 7.821 1.00 0.85 C ATOM 0 H VAL A 87 -10.814 -7.083 5.080 1.00 0.51 H new ATOM 0 HA VAL A 87 -8.136 -6.932 5.955 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.926 -5.178 6.104 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -11.359 -5.139 8.092 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.743 -6.496 7.006 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.822 -6.786 8.501 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -9.091 -4.266 8.235 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -8.405 -5.859 8.633 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.785 -4.947 7.236 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.993 -9.150 7.357 1.00 0.61 N ATOM 1372 CA ASN A 88 -10.059 -10.308 8.243 1.00 0.71 C ATOM 1373 C ASN A 88 -9.110 -11.431 7.811 1.00 0.78 C ATOM 1374 O ASN A 88 -8.519 -12.107 8.654 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.491 -10.823 8.294 1.00 0.73 C ATOM 1376 CG ASN A 88 -12.218 -10.357 9.538 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -12.207 -11.029 10.570 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.857 -9.203 9.451 1.00 0.73 N ATOM 0 H ASN A 88 -10.767 -9.101 6.695 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.739 -9.986 9.234 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -12.030 -10.483 7.410 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.486 -11.913 8.264 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.365 -8.839 10.257 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.842 -8.676 8.578 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.964 -11.638 6.505 1.00 0.75 N ATOM 1386 CA GLU A 89 -8.011 -12.624 5.990 1.00 0.84 C ATOM 1387 C GLU A 89 -6.623 -12.089 6.155 1.00 0.82 C ATOM 1388 O GLU A 89 -5.670 -12.826 6.325 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.273 -12.934 4.499 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.340 -11.711 3.589 1.00 1.25 C ATOM 1391 CD GLU A 89 -6.992 -11.168 3.137 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -5.953 -11.724 3.524 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -6.980 -10.167 2.400 1.00 2.87 O ATOM 0 H GLU A 89 -9.489 -11.141 5.786 1.00 0.75 H new ATOM 0 HA GLU A 89 -8.131 -13.551 6.552 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.486 -13.595 4.137 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.212 -13.482 4.417 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -8.926 -11.966 2.706 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -8.877 -10.919 4.110 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.535 -10.788 6.113 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.275 -10.123 6.002 1.00 0.64 C ATOM 1402 C LEU A 90 -4.481 -10.201 7.318 1.00 0.70 C ATOM 1403 O LEU A 90 -3.260 -10.342 7.318 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.562 -8.678 5.615 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.844 -8.122 4.382 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.229 -9.191 3.525 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.812 -7.292 3.563 1.00 1.28 C ATOM 0 H LEU A 90 -7.339 -10.162 6.155 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.657 -10.606 5.245 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.635 -8.580 5.452 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -5.309 -8.045 6.466 1.00 0.56 H new ATOM 0 HG LEU A 90 -4.023 -7.502 4.742 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -3.736 -8.732 2.668 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.497 -9.749 4.109 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.007 -9.869 3.175 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -5.300 -6.897 2.686 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.648 -7.916 3.245 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -6.185 -6.466 4.168 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.195 -10.138 8.439 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.573 -10.052 9.767 1.00 0.82 C ATOM 1421 C PHE A 91 -4.641 -11.392 10.487 1.00 0.91 C ATOM 1422 O PHE A 91 -4.409 -11.479 11.688 1.00 1.06 O ATOM 1423 CB PHE A 91 -5.281 -8.969 10.577 1.00 0.88 C ATOM 1424 CG PHE A 91 -6.496 -9.410 11.354 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -7.585 -9.957 10.694 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -6.550 -9.288 12.731 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -8.699 -10.374 11.393 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -7.664 -9.701 13.436 1.00 1.75 C ATOM 1429 CZ PHE A 91 -8.731 -10.198 12.806 1.00 2.23 C ATOM 0 H PHE A 91 -6.215 -10.145 8.458 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.520 -9.793 9.655 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -4.564 -8.539 11.276 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.580 -8.172 9.897 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -7.561 -10.058 9.619 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -5.710 -8.864 13.262 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -9.533 -10.826 10.877 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -7.672 -9.621 14.513 1.00 1.75 H new ATOM 0 HZ PHE A 91 -9.615 -10.466 13.366 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.978 -12.422 9.735 1.00 0.96 N ATOM 1440 CA ARG A 92 -5.125 -13.780 10.280 1.00 1.11 C ATOM 1441 C ARG A 92 -3.890 -14.217 11.084 1.00 0.83 C ATOM 1442 O ARG A 92 -4.022 -14.786 12.165 1.00 0.90 O ATOM 1443 CB ARG A 92 -5.447 -14.795 9.165 1.00 1.53 C ATOM 1444 CG ARG A 92 -4.262 -15.284 8.331 1.00 1.62 C ATOM 1445 CD ARG A 92 -3.622 -14.161 7.536 1.00 2.21 C ATOM 1446 NE ARG A 92 -2.548 -14.625 6.661 1.00 3.27 N ATOM 1447 CZ ARG A 92 -2.375 -14.190 5.408 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -3.226 -13.311 4.885 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -1.364 -14.642 4.675 1.00 5.06 N ATOM 0 H ARG A 92 -5.159 -12.354 8.734 1.00 0.96 H new ATOM 0 HA ARG A 92 -5.967 -13.757 10.972 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -5.926 -15.662 9.620 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -6.176 -14.344 8.492 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -3.517 -15.733 8.988 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -4.597 -16.065 7.649 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -4.386 -13.667 6.935 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -3.226 -13.415 8.225 1.00 2.21 H new ATOM 0 HE ARG A 92 -1.895 -15.318 7.025 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -4.011 -12.969 5.440 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -3.094 -12.979 3.929 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -0.715 -15.324 5.067 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -1.237 -14.307 3.720 1.00 5.06 H new ATOM 1463 N ASP A 93 -2.700 -13.933 10.565 1.00 0.84 N ATOM 1464 CA ASP A 93 -1.449 -14.246 11.273 1.00 1.10 C ATOM 1465 C ASP A 93 -1.237 -13.277 12.428 1.00 1.31 C ATOM 1466 O ASP A 93 -0.552 -13.568 13.407 1.00 1.88 O ATOM 1467 CB ASP A 93 -0.268 -14.186 10.303 1.00 1.65 C ATOM 1468 CG ASP A 93 1.075 -14.322 10.994 1.00 2.40 C ATOM 1469 OD1 ASP A 93 1.508 -15.467 11.247 1.00 2.58 O ATOM 1470 OD2 ASP A 93 1.707 -13.284 11.276 1.00 3.12 O ATOM 0 H ASP A 93 -2.568 -13.487 9.657 1.00 0.84 H new ATOM 0 HA ASP A 93 -1.518 -15.255 11.678 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -0.372 -14.980 9.564 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -0.298 -13.240 9.762 1.00 1.65 H new ATOM 1475 N GLY A 94 -1.869 -12.139 12.292 1.00 1.11 N ATOM 1476 CA GLY A 94 -1.853 -11.108 13.292 1.00 1.69 C ATOM 1477 C GLY A 94 -1.524 -9.781 12.666 1.00 1.62 C ATOM 1478 O GLY A 94 -2.081 -8.775 13.077 1.00 2.31 O ATOM 0 H GLY A 94 -2.419 -11.901 11.467 1.00 1.11 H new ATOM 0 HA2 GLY A 94 -2.824 -11.055 13.785 1.00 1.69 H new ATOM 0 HA3 GLY A 94 -1.118 -11.348 14.060 1.00 1.69 H new ATOM 1482 N VAL A 95 -0.591 -9.822 11.695 1.00 0.85 N ATOM 1483 CA VAL A 95 -0.358 -8.816 10.652 1.00 0.67 C ATOM 1484 C VAL A 95 0.901 -9.195 9.894 1.00 0.62 C ATOM 1485 O VAL A 95 1.889 -9.604 10.495 1.00 0.61 O ATOM 1486 CB VAL A 95 -0.233 -7.379 11.187 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.589 -6.479 10.266 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.594 -6.787 11.363 1.00 1.06 C ATOM 0 H VAL A 95 0.056 -10.607 11.617 1.00 0.85 H new ATOM 0 HA VAL A 95 -1.233 -8.815 10.002 1.00 0.67 H new ATOM 0 HB VAL A 95 0.288 -7.438 12.143 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.645 -5.477 10.692 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.595 -6.886 10.162 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.114 -6.431 9.286 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.502 -5.769 11.742 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -2.111 -6.771 10.403 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -2.163 -7.388 12.072 1.00 1.06 H new ATOM 1498 N ASN A 96 0.852 -9.114 8.580 1.00 0.76 N ATOM 1499 CA ASN A 96 2.012 -9.425 7.763 1.00 0.86 C ATOM 1500 C ASN A 96 2.528 -8.152 7.112 1.00 0.72 C ATOM 1501 O ASN A 96 1.739 -7.254 6.802 1.00 0.62 O ATOM 1502 CB ASN A 96 1.656 -10.460 6.692 1.00 1.17 C ATOM 1503 CG ASN A 96 0.807 -11.599 7.232 1.00 1.47 C ATOM 1504 OD1 ASN A 96 0.965 -11.912 8.509 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 0.007 -12.186 6.509 1.00 1.67 N flip ATOM 0 H ASN A 96 0.024 -8.836 8.054 1.00 0.76 H new ATOM 0 HA ASN A 96 2.790 -9.848 8.399 1.00 0.86 H new ATOM 0 HB2 ASN A 96 1.120 -9.967 5.881 1.00 1.17 H new ATOM 0 HB3 ASN A 96 2.574 -10.867 6.267 1.00 1.17 H new ATOM 0 HD21 ASN A 96 -0.088 -11.917 5.530 1.00 1.67 H new ATOM 0 HD22 ASN A 96 -0.563 -12.942 6.888 1.00 1.67 H new ATOM 1512 N TRP A 97 3.838 -8.068 6.918 1.00 0.77 N ATOM 1513 CA TRP A 97 4.442 -6.918 6.252 1.00 0.72 C ATOM 1514 C TRP A 97 3.796 -6.687 4.890 1.00 0.63 C ATOM 1515 O TRP A 97 3.416 -5.567 4.546 1.00 0.59 O ATOM 1516 CB TRP A 97 5.951 -7.126 6.077 1.00 0.86 C ATOM 1517 CG TRP A 97 6.808 -6.182 6.876 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.047 -6.444 7.387 1.00 0.83 C ATOM 1519 CD2 TRP A 97 6.500 -4.831 7.255 1.00 1.43 C ATOM 1520 NE1 TRP A 97 8.533 -5.341 8.046 1.00 0.99 N ATOM 1521 CE2 TRP A 97 7.601 -4.341 7.984 1.00 1.60 C ATOM 1522 CE3 TRP A 97 5.404 -3.987 7.048 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 7.636 -3.050 8.504 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 5.440 -2.707 7.566 1.00 3.24 C ATOM 1525 CH2 TRP A 97 6.550 -2.250 8.286 1.00 3.34 C ATOM 0 H TRP A 97 4.504 -8.782 7.212 1.00 0.77 H new ATOM 0 HA TRP A 97 4.275 -6.041 6.878 1.00 0.72 H new ATOM 0 HB2 TRP A 97 6.199 -8.149 6.359 1.00 0.86 H new ATOM 0 HB3 TRP A 97 6.200 -7.017 5.021 1.00 0.86 H new ATOM 0 HD1 TRP A 97 8.570 -7.384 7.287 1.00 0.83 H new ATOM 0 HE1 TRP A 97 9.441 -5.278 8.507 1.00 0.99 H new ATOM 0 HE3 TRP A 97 4.544 -4.330 6.492 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 8.491 -2.694 9.060 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 4.598 -2.048 7.413 1.00 3.24 H new ATOM 0 HH2 TRP A 97 6.548 -1.243 8.678 1.00 3.34 H new ATOM 1536 N GLY A 98 3.644 -7.765 4.132 1.00 0.69 N ATOM 1537 CA GLY A 98 3.075 -7.667 2.806 1.00 0.69 C ATOM 1538 C GLY A 98 1.563 -7.563 2.820 1.00 0.62 C ATOM 1539 O GLY A 98 0.960 -7.108 1.849 1.00 0.61 O ATOM 0 H GLY A 98 3.907 -8.709 4.415 1.00 0.69 H new ATOM 0 HA2 GLY A 98 3.490 -6.794 2.302 1.00 0.69 H new ATOM 0 HA3 GLY A 98 3.369 -8.541 2.224 1.00 0.69 H new ATOM 1543 N ARG A 99 0.942 -7.966 3.921 1.00 0.65 N ATOM 1544 CA ARG A 99 -0.510 -7.915 4.017 1.00 0.67 C ATOM 1545 C ARG A 99 -0.965 -6.470 4.158 1.00 0.53 C ATOM 1546 O ARG A 99 -2.069 -6.117 3.757 1.00 0.55 O ATOM 1547 CB ARG A 99 -1.023 -8.780 5.183 1.00 0.82 C ATOM 1548 CG ARG A 99 -1.224 -8.047 6.507 1.00 1.04 C ATOM 1549 CD ARG A 99 -2.608 -7.421 6.605 1.00 1.50 C ATOM 1550 NE ARG A 99 -2.886 -6.900 7.948 1.00 2.48 N ATOM 1551 CZ ARG A 99 -4.098 -6.520 8.372 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -5.109 -6.416 7.522 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -4.291 -6.214 9.649 1.00 4.24 N ATOM 0 H ARG A 99 1.414 -8.327 4.750 1.00 0.65 H new ATOM 0 HA ARG A 99 -0.936 -8.327 3.102 1.00 0.67 H new ATOM 0 HB2 ARG A 99 -1.972 -9.229 4.889 1.00 0.82 H new ATOM 0 HB3 ARG A 99 -0.319 -9.597 5.343 1.00 0.82 H new ATOM 0 HG2 ARG A 99 -1.081 -8.744 7.333 1.00 1.04 H new ATOM 0 HG3 ARG A 99 -0.466 -7.270 6.611 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -2.692 -6.612 5.879 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -3.361 -8.164 6.342 1.00 1.50 H new ATOM 0 HE ARG A 99 -2.106 -6.822 8.601 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -4.968 -6.626 6.534 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -6.028 -6.126 7.856 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -3.515 -6.268 10.309 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -5.215 -5.925 9.970 1.00 4.24 H new ATOM 1567 N ILE A 100 -0.112 -5.640 4.743 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.412 -4.225 4.882 1.00 0.36 C ATOM 1569 C ILE A 100 -0.482 -3.573 3.500 1.00 0.33 C ATOM 1570 O ILE A 100 -1.348 -2.735 3.237 1.00 0.34 O ATOM 1571 CB ILE A 100 0.626 -3.511 5.776 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.558 -4.075 7.198 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.389 -2.008 5.782 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.585 -3.488 8.143 1.00 0.34 C ATOM 0 H ILE A 100 0.790 -5.923 5.127 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.381 -4.126 5.371 1.00 0.36 H new ATOM 0 HB ILE A 100 1.622 -3.691 5.372 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.438 -3.894 7.602 1.00 0.33 H new ATOM 0 HG13 ILE A 100 0.694 -5.156 7.156 1.00 0.33 H new ATOM 0 HG21 ILE A 100 1.131 -1.525 6.418 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.475 -1.622 4.766 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.609 -1.799 6.166 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.472 -3.939 9.129 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.587 -3.692 7.764 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.437 -2.411 8.217 1.00 0.34 H new ATOM 1586 N VAL A 101 0.408 -3.996 2.607 1.00 0.33 N ATOM 1587 CA VAL A 101 0.378 -3.527 1.225 1.00 0.35 C ATOM 1588 C VAL A 101 -0.852 -4.100 0.504 1.00 0.37 C ATOM 1589 O VAL A 101 -1.446 -3.445 -0.340 1.00 0.45 O ATOM 1590 CB VAL A 101 1.679 -3.880 0.446 1.00 0.46 C ATOM 1591 CG1 VAL A 101 2.744 -4.429 1.374 1.00 1.35 C ATOM 1592 CG2 VAL A 101 1.407 -4.828 -0.711 1.00 1.32 C ATOM 0 H VAL A 101 1.155 -4.659 2.814 1.00 0.33 H new ATOM 0 HA VAL A 101 0.312 -2.439 1.252 1.00 0.35 H new ATOM 0 HB VAL A 101 2.060 -2.953 0.017 1.00 0.46 H new ATOM 0 HG11 VAL A 101 3.640 -4.666 0.800 1.00 1.35 H new ATOM 0 HG12 VAL A 101 2.985 -3.684 2.132 1.00 1.35 H new ATOM 0 HG13 VAL A 101 2.374 -5.333 1.858 1.00 1.35 H new ATOM 0 HG21 VAL A 101 2.341 -5.049 -1.228 1.00 1.32 H new ATOM 0 HG22 VAL A 101 0.976 -5.754 -0.329 1.00 1.32 H new ATOM 0 HG23 VAL A 101 0.709 -4.362 -1.406 1.00 1.32 H new ATOM 1602 N ALA A 102 -1.235 -5.326 0.846 1.00 0.37 N ATOM 1603 CA ALA A 102 -2.446 -5.924 0.287 1.00 0.39 C ATOM 1604 C ALA A 102 -3.663 -5.124 0.707 1.00 0.35 C ATOM 1605 O ALA A 102 -4.496 -4.741 -0.113 1.00 0.34 O ATOM 1606 CB ALA A 102 -2.596 -7.361 0.753 1.00 0.44 C ATOM 0 H ALA A 102 -0.730 -5.922 1.502 1.00 0.37 H new ATOM 0 HA ALA A 102 -2.364 -5.913 -0.800 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -3.503 -7.789 0.326 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -1.733 -7.941 0.427 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -2.660 -7.386 1.841 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.724 -4.866 2.000 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.808 -4.129 2.615 1.00 0.34 C ATOM 1614 C PHE A 103 -5.007 -2.764 1.959 1.00 0.31 C ATOM 1615 O PHE A 103 -6.125 -2.404 1.593 1.00 0.32 O ATOM 1616 CB PHE A 103 -4.509 -3.988 4.111 1.00 0.36 C ATOM 1617 CG PHE A 103 -5.390 -3.005 4.829 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -6.651 -3.382 5.264 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.962 -1.713 5.073 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -7.464 -2.491 5.931 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -5.774 -0.816 5.741 1.00 1.48 C ATOM 1622 CZ PHE A 103 -7.007 -1.171 6.145 1.00 1.49 C ATOM 0 H PHE A 103 -3.009 -5.168 2.662 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.741 -4.675 2.475 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.614 -4.964 4.584 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -3.470 -3.684 4.235 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -7.001 -4.387 5.078 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.983 -1.402 4.738 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -8.437 -2.797 6.285 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -5.414 0.182 5.941 1.00 1.48 H new ATOM 0 HZ PHE A 103 -7.646 -0.449 6.632 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.927 -2.012 1.794 1.00 0.33 N ATOM 1633 CA PHE A 104 -4.040 -0.666 1.250 1.00 0.40 C ATOM 1634 C PHE A 104 -4.238 -0.707 -0.270 1.00 0.39 C ATOM 1635 O PHE A 104 -4.842 0.195 -0.850 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.816 0.183 1.643 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.784 0.348 0.564 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -1.033 -0.724 0.131 1.00 1.47 C ATOM 1639 CD2 PHE A 104 -1.568 1.583 -0.013 1.00 1.79 C ATOM 1640 CE1 PHE A 104 -0.092 -0.575 -0.863 1.00 2.61 C ATOM 1641 CE2 PHE A 104 -0.624 1.741 -1.005 1.00 2.90 C ATOM 1642 CZ PHE A 104 0.113 0.661 -1.432 1.00 3.29 C ATOM 0 H PHE A 104 -2.978 -2.305 2.025 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.922 -0.191 1.680 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -3.161 1.171 1.949 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.341 -0.272 2.512 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -1.185 -1.695 0.578 1.00 1.47 H new ATOM 0 HD2 PHE A 104 -2.145 2.435 0.316 1.00 1.79 H new ATOM 0 HE1 PHE A 104 0.484 -1.426 -1.195 1.00 2.61 H new ATOM 0 HE2 PHE A 104 -0.463 2.713 -1.447 1.00 2.90 H new ATOM 0 HZ PHE A 104 0.850 0.783 -2.212 1.00 3.29 H new ATOM 1652 N SER A 105 -3.751 -1.770 -0.907 1.00 0.37 N ATOM 1653 CA SER A 105 -3.890 -1.925 -2.348 1.00 0.44 C ATOM 1654 C SER A 105 -5.327 -2.284 -2.702 1.00 0.40 C ATOM 1655 O SER A 105 -5.947 -1.656 -3.564 1.00 0.45 O ATOM 1656 CB SER A 105 -2.930 -3.002 -2.870 1.00 0.50 C ATOM 1657 OG SER A 105 -2.965 -3.089 -4.284 1.00 1.19 O ATOM 0 H SER A 105 -3.258 -2.534 -0.446 1.00 0.37 H new ATOM 0 HA SER A 105 -3.636 -0.977 -2.823 1.00 0.44 H new ATOM 0 HB2 SER A 105 -1.915 -2.775 -2.544 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.195 -3.967 -2.439 1.00 0.50 H new ATOM 0 HG SER A 105 -2.837 -2.197 -4.670 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.862 -3.279 -2.010 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.225 -3.722 -2.240 1.00 0.37 C ATOM 1665 C PHE A 106 -8.201 -2.676 -1.723 1.00 0.31 C ATOM 1666 O PHE A 106 -9.334 -2.590 -2.184 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.457 -5.068 -1.556 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.665 -5.810 -2.054 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -8.591 -6.571 -3.209 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.866 -5.752 -1.370 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -9.696 -7.261 -3.671 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -10.972 -6.439 -1.826 1.00 2.53 C ATOM 1673 CZ PHE A 106 -10.887 -7.194 -2.979 1.00 2.89 C ATOM 0 H PHE A 106 -5.369 -3.796 -1.282 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.390 -3.848 -3.310 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.576 -5.693 -1.700 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.561 -4.905 -0.483 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.660 -6.626 -3.754 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -9.939 -5.162 -0.468 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -9.627 -7.852 -4.573 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -11.903 -6.386 -1.282 1.00 2.53 H new ATOM 0 HZ PHE A 106 -11.752 -7.731 -3.338 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.747 -1.882 -0.762 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.528 -0.754 -0.302 1.00 0.28 C ATOM 1685 C GLY A 107 -8.632 0.316 -1.369 1.00 0.24 C ATOM 1686 O GLY A 107 -9.704 0.876 -1.601 1.00 0.27 O ATOM 0 H GLY A 107 -6.849 -2.001 -0.293 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.527 -1.090 -0.023 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.071 -0.334 0.594 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.511 0.593 -2.028 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.516 1.518 -3.143 1.00 0.22 C ATOM 1692 C GLY A 108 -8.364 0.999 -4.285 1.00 0.22 C ATOM 1693 O GLY A 108 -8.984 1.769 -5.021 1.00 0.23 O ATOM 0 H GLY A 108 -6.599 0.192 -1.808 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.897 2.485 -2.814 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.495 1.679 -3.489 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.388 -0.320 -4.426 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.225 -0.978 -5.416 1.00 0.26 C ATOM 1699 C ALA A 109 -10.686 -0.963 -4.980 1.00 0.27 C ATOM 1700 O ALA A 109 -11.588 -0.909 -5.808 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.748 -2.405 -5.637 1.00 0.29 C ATOM 0 H ALA A 109 -7.830 -0.959 -3.860 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.146 -0.433 -6.357 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.381 -2.889 -6.380 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.717 -2.393 -5.991 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.803 -2.957 -4.698 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.904 -0.975 -3.667 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.251 -0.971 -3.096 1.00 0.28 C ATOM 1709 C LEU A 110 -12.921 0.332 -3.486 1.00 0.24 C ATOM 1710 O LEU A 110 -14.100 0.382 -3.845 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.167 -1.087 -1.567 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.210 -1.988 -0.887 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.621 -1.456 -1.067 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.109 -3.412 -1.409 1.00 1.12 C ATOM 0 H LEU A 110 -10.158 -0.988 -2.972 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.828 -1.816 -3.472 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.175 -1.458 -1.307 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.254 -0.086 -1.144 1.00 0.32 H new ATOM 0 HG LEU A 110 -12.993 -1.988 0.181 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.327 -2.122 -0.571 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.693 -0.460 -0.629 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.857 -1.403 -2.130 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -13.856 -4.034 -0.915 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.285 -3.419 -2.485 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.114 -3.806 -1.202 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.119 1.380 -3.409 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.490 2.703 -3.864 1.00 0.19 C ATOM 1728 C CYS A 111 -12.995 2.662 -5.302 1.00 0.20 C ATOM 1729 O CYS A 111 -14.111 3.097 -5.590 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.263 3.600 -3.755 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.455 5.231 -4.482 1.00 0.22 S ATOM 0 H CYS A 111 -11.177 1.332 -3.022 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.299 3.093 -3.247 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -11.007 3.715 -2.702 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.421 3.101 -4.235 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.443 5.976 -4.149 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.183 2.106 -6.194 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.529 2.045 -7.608 1.00 0.22 C ATOM 1739 C VAL A 112 -13.757 1.179 -7.847 1.00 0.22 C ATOM 1740 O VAL A 112 -14.616 1.531 -8.647 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.367 1.514 -8.465 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.815 1.315 -9.900 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.197 2.472 -8.419 1.00 0.27 C ATOM 0 H VAL A 112 -11.280 1.691 -5.962 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.747 3.070 -7.909 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.052 0.553 -8.058 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.981 0.939 -10.493 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.634 0.596 -9.929 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.152 2.266 -10.311 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.383 2.082 -9.030 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.507 3.443 -8.804 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.857 2.582 -7.389 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.846 0.050 -7.156 1.00 0.23 N ATOM 1754 CA GLU A 113 -14.998 -0.831 -7.294 1.00 0.28 C ATOM 1755 C GLU A 113 -16.279 -0.111 -6.893 1.00 0.23 C ATOM 1756 O GLU A 113 -17.370 -0.449 -7.357 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.811 -2.098 -6.479 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.672 -2.967 -6.985 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.297 -2.696 -8.433 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.026 -3.145 -9.342 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.272 -2.022 -8.671 1.00 2.51 O ATOM 0 H GLU A 113 -13.138 -0.276 -6.498 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.084 -1.116 -8.343 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.622 -1.830 -5.439 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.736 -2.674 -6.497 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -12.797 -2.807 -6.356 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -13.952 -4.015 -6.881 1.00 0.53 H new ATOM 1768 N SER A 114 -16.137 0.899 -6.048 1.00 0.18 N ATOM 1769 CA SER A 114 -17.255 1.739 -5.669 1.00 0.19 C ATOM 1770 C SER A 114 -17.547 2.710 -6.801 1.00 0.22 C ATOM 1771 O SER A 114 -18.693 2.927 -7.174 1.00 0.28 O ATOM 1772 CB SER A 114 -16.921 2.488 -4.382 1.00 0.18 C ATOM 1773 OG SER A 114 -16.627 1.580 -3.333 1.00 0.20 O ATOM 0 H SER A 114 -15.251 1.155 -5.611 1.00 0.18 H new ATOM 0 HA SER A 114 -18.140 1.129 -5.488 1.00 0.19 H new ATOM 0 HB2 SER A 114 -16.068 3.146 -4.550 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.761 3.121 -4.096 1.00 0.18 H new ATOM 0 HG SER A 114 -15.765 1.147 -3.507 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.481 3.224 -7.387 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.565 4.176 -8.482 1.00 0.27 C ATOM 1781 C VAL A 115 -17.205 3.509 -9.683 1.00 0.28 C ATOM 1782 O VAL A 115 -17.961 4.121 -10.437 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.155 4.656 -8.860 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -15.187 5.582 -10.057 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.497 5.322 -7.668 1.00 1.10 C ATOM 0 H VAL A 115 -15.526 2.992 -7.115 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.168 5.029 -8.171 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.562 3.787 -9.144 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -14.173 5.902 -10.297 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.613 5.057 -10.912 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.798 6.455 -9.826 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.498 5.659 -7.945 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -15.095 6.178 -7.354 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.425 4.609 -6.847 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.883 2.239 -9.814 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.408 1.369 -10.844 1.00 0.34 C ATOM 1797 C ASP A 116 -18.928 1.451 -10.910 1.00 0.35 C ATOM 1798 O ASP A 116 -19.506 1.669 -11.973 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.983 -0.052 -10.500 1.00 0.37 C ATOM 1800 CG ASP A 116 -17.300 -1.065 -11.588 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -18.490 -1.389 -11.789 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -16.352 -1.556 -12.240 1.00 0.60 O ATOM 0 H ASP A 116 -16.229 1.770 -9.187 1.00 0.28 H new ATOM 0 HA ASP A 116 -17.021 1.672 -11.817 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.910 -0.064 -10.306 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.477 -0.356 -9.577 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.564 1.293 -9.755 1.00 0.32 N ATOM 1808 CA LYS A 117 -21.016 1.329 -9.667 1.00 0.35 C ATOM 1809 C LYS A 117 -21.508 2.762 -9.484 1.00 0.34 C ATOM 1810 O LYS A 117 -22.665 2.983 -9.119 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.503 0.477 -8.490 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.569 -0.656 -8.090 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.383 -1.666 -9.201 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.780 -2.955 -8.677 1.00 0.61 C ATOM 1815 NZ LYS A 117 -20.707 -3.647 -7.736 1.00 1.62 N ATOM 0 H LYS A 117 -19.093 1.138 -8.864 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.418 0.926 -10.597 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.653 1.127 -7.628 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.475 0.055 -8.744 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.599 -0.243 -7.811 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.967 -1.158 -7.208 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -21.344 -1.876 -9.670 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.737 -1.247 -9.972 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -19.547 -3.615 -9.512 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -18.840 -2.739 -8.170 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -20.451 -4.653 -7.673 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -20.635 -3.212 -6.794 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -21.683 -3.560 -8.084 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.616 3.725 -9.726 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.932 5.148 -9.595 1.00 0.33 C ATOM 1831 C GLU A 118 -21.213 5.496 -8.136 1.00 0.31 C ATOM 1832 O GLU A 118 -22.076 6.314 -7.827 1.00 0.38 O ATOM 1833 CB GLU A 118 -22.124 5.517 -10.480 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.901 5.201 -11.947 1.00 0.49 C ATOM 1835 CD GLU A 118 -23.150 5.395 -12.774 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -24.018 4.498 -12.767 1.00 1.88 O ATOM 1837 OE2 GLU A 118 -23.276 6.449 -13.435 1.00 1.07 O ATOM 0 H GLU A 118 -19.656 3.540 -10.018 1.00 0.31 H new ATOM 0 HA GLU A 118 -20.071 5.728 -9.927 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -23.007 4.982 -10.130 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.332 6.581 -10.372 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -21.108 5.839 -12.337 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.559 4.171 -12.046 1.00 0.49 H new ATOM 1844 N MET A 119 -20.445 4.881 -7.252 1.00 0.26 N ATOM 1845 CA MET A 119 -20.597 5.071 -5.817 1.00 0.26 C ATOM 1846 C MET A 119 -19.317 5.680 -5.272 1.00 0.25 C ATOM 1847 O MET A 119 -18.734 5.206 -4.302 1.00 0.23 O ATOM 1848 CB MET A 119 -20.872 3.737 -5.125 1.00 0.25 C ATOM 1849 CG MET A 119 -22.024 2.954 -5.725 1.00 0.28 C ATOM 1850 SD MET A 119 -22.182 1.317 -4.993 1.00 0.31 S ATOM 1851 CE MET A 119 -20.484 0.748 -5.089 1.00 0.29 C ATOM 0 H MET A 119 -19.698 4.235 -7.508 1.00 0.26 H new ATOM 0 HA MET A 119 -21.441 5.734 -5.626 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.971 3.126 -5.167 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.083 3.923 -4.072 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.952 3.507 -5.580 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.875 2.857 -6.800 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.466 -0.342 -5.107 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.022 1.133 -5.998 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.931 1.106 -4.221 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.890 6.738 -5.925 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.649 7.413 -5.615 1.00 0.31 C ATOM 1863 C GLN A 120 -17.673 8.065 -4.230 1.00 0.32 C ATOM 1864 O GLN A 120 -16.663 8.576 -3.761 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.394 8.431 -6.711 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.505 7.800 -8.088 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.326 8.621 -9.059 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -18.936 7.950 -10.018 1.00 1.15 O flip ATOM 1869 NE2 GLN A 120 -18.403 9.844 -8.958 1.00 0.55 N flip ATOM 0 H GLN A 120 -19.403 7.160 -6.699 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.836 6.687 -5.578 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -18.110 9.248 -6.625 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.401 8.862 -6.585 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.505 7.660 -8.497 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.952 6.810 -7.992 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -17.916 10.325 -8.202 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -18.954 10.378 -9.630 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.831 8.056 -3.584 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.935 8.528 -2.208 1.00 0.35 C ATOM 1880 C VAL A 121 -18.199 7.596 -1.242 1.00 0.31 C ATOM 1881 O VAL A 121 -17.853 7.992 -0.133 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.402 8.655 -1.756 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -21.117 9.740 -2.545 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -21.113 7.320 -1.903 1.00 0.38 C ATOM 0 H VAL A 121 -19.709 7.729 -3.988 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.471 9.514 -2.186 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.418 8.941 -0.704 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -22.151 9.812 -2.209 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.616 10.695 -2.386 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -21.097 9.492 -3.606 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -22.149 7.422 -1.580 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -21.087 7.007 -2.947 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.613 6.572 -1.287 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.964 6.354 -1.666 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.228 5.395 -0.842 1.00 0.21 C ATOM 1896 C LEU A 122 -15.748 5.702 -0.879 1.00 0.19 C ATOM 1897 O LEU A 122 -15.024 5.389 0.060 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.446 3.950 -1.309 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.799 3.323 -0.969 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.130 3.534 0.494 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.895 3.873 -1.861 1.00 0.22 C ATOM 0 H LEU A 122 -18.270 5.990 -2.568 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.608 5.490 0.175 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.316 3.917 -2.391 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.663 3.329 -0.875 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.732 2.250 -1.152 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.096 3.081 0.717 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.361 3.071 1.112 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.172 4.602 0.707 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.846 3.410 -1.597 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.967 4.952 -1.725 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.661 3.653 -2.903 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.319 6.312 -1.973 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.925 6.689 -2.174 1.00 0.20 C ATOM 1915 C VAL A 123 -13.316 7.340 -0.926 1.00 0.22 C ATOM 1916 O VAL A 123 -12.275 6.903 -0.429 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.825 7.640 -3.380 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.434 8.250 -3.508 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.220 6.887 -4.646 1.00 0.23 C ATOM 0 H VAL A 123 -15.929 6.561 -2.751 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.353 5.782 -2.368 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.513 8.472 -3.227 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.406 8.915 -4.371 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -12.201 8.816 -2.606 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.699 7.456 -3.638 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -14.151 7.556 -5.504 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.548 6.041 -4.791 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.244 6.525 -4.550 1.00 0.23 H new ATOM 1929 N SER A 124 -13.974 8.367 -0.414 1.00 0.24 N ATOM 1930 CA SER A 124 -13.517 9.073 0.755 1.00 0.28 C ATOM 1931 C SER A 124 -13.649 8.221 2.012 1.00 0.27 C ATOM 1932 O SER A 124 -12.778 8.243 2.886 1.00 0.33 O ATOM 1933 CB SER A 124 -14.370 10.316 0.880 1.00 0.36 C ATOM 1934 OG SER A 124 -15.685 10.047 0.424 1.00 1.35 O ATOM 0 H SER A 124 -14.843 8.730 -0.805 1.00 0.24 H new ATOM 0 HA SER A 124 -12.461 9.321 0.651 1.00 0.28 H new ATOM 0 HB2 SER A 124 -14.396 10.647 1.918 1.00 0.36 H new ATOM 0 HB3 SER A 124 -13.933 11.128 0.298 1.00 0.36 H new ATOM 0 HG SER A 124 -15.829 10.488 -0.439 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.746 7.481 2.089 1.00 0.23 N ATOM 1941 CA ARG A 125 -15.043 6.662 3.250 1.00 0.23 C ATOM 1942 C ARG A 125 -13.973 5.606 3.432 1.00 0.21 C ATOM 1943 O ARG A 125 -13.351 5.514 4.485 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.404 5.985 3.091 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.518 6.945 2.730 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.865 6.261 2.730 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.942 7.184 2.375 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.221 6.834 2.275 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.600 5.607 2.602 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -22.126 7.726 1.884 1.00 2.67 N ATOM 0 H ARG A 125 -15.450 7.433 1.352 1.00 0.23 H new ATOM 0 HA ARG A 125 -15.066 7.307 4.128 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.332 5.218 2.320 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.659 5.478 4.021 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.530 7.773 3.439 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.326 7.372 1.746 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.851 5.430 2.025 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -19.058 5.839 3.716 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.697 8.157 2.193 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.911 4.931 2.931 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.581 5.339 2.525 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.839 8.679 1.661 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -23.107 7.457 1.807 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.761 4.824 2.387 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.773 3.757 2.404 1.00 0.19 C ATOM 1966 C ILE A 126 -11.413 4.273 2.860 1.00 0.20 C ATOM 1967 O ILE A 126 -10.823 3.728 3.792 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.660 3.102 1.015 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.039 2.572 0.606 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.631 1.983 1.035 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.123 2.069 -0.812 1.00 0.18 C ATOM 0 H ILE A 126 -14.267 4.910 1.505 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.106 3.005 3.119 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.327 3.840 0.286 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.318 1.763 1.281 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.773 3.366 0.740 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.565 1.532 0.045 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.659 2.388 1.315 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -11.931 1.226 1.759 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.134 1.714 -1.013 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.879 2.878 -1.500 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.417 1.250 -0.950 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.945 5.350 2.238 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.643 5.919 2.565 1.00 0.24 C ATOM 1985 C ALA A 127 -9.555 6.326 4.032 1.00 0.24 C ATOM 1986 O ALA A 127 -8.466 6.371 4.608 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.369 7.119 1.689 1.00 0.27 C ATOM 0 H ALA A 127 -11.449 5.847 1.504 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.893 5.149 2.384 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.394 7.538 1.940 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.374 6.814 0.642 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.140 7.872 1.852 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.703 6.614 4.631 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.764 7.050 6.015 1.00 0.22 C ATOM 1995 C ALA A 128 -10.353 5.925 6.931 1.00 0.23 C ATOM 1996 O ALA A 128 -9.320 5.993 7.600 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.172 7.515 6.361 1.00 0.23 C ATOM 0 H ALA A 128 -11.612 6.552 4.172 1.00 0.21 H new ATOM 0 HA ALA A 128 -10.076 7.885 6.148 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.203 7.839 7.401 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.450 8.347 5.714 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.873 6.693 6.216 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.139 4.872 6.915 1.00 0.25 N ATOM 2004 CA TRP A 129 -10.933 3.774 7.823 1.00 0.35 C ATOM 2005 C TRP A 129 -9.793 2.871 7.378 1.00 0.25 C ATOM 2006 O TRP A 129 -9.297 2.081 8.172 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.230 3.007 8.061 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.059 2.761 6.843 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.131 3.497 6.447 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -12.916 1.707 5.888 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -14.657 2.985 5.294 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -13.932 1.879 4.929 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -12.027 0.641 5.743 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -14.082 1.020 3.842 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -12.178 -0.209 4.666 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -13.198 -0.016 3.726 1.00 3.91 C ATOM 0 H TRP A 129 -11.928 4.756 6.280 1.00 0.25 H new ATOM 0 HA TRP A 129 -10.628 4.191 8.783 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -11.987 2.046 8.515 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.831 3.558 8.784 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.512 4.362 6.969 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -15.458 3.363 4.788 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -11.235 0.484 6.461 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -14.869 1.168 3.117 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -11.497 -1.038 4.546 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -13.288 -0.699 2.894 1.00 3.91 H new ATOM 2027 N MET A 130 -9.377 2.971 6.116 1.00 0.24 N ATOM 2028 CA MET A 130 -8.151 2.301 5.693 1.00 0.26 C ATOM 2029 C MET A 130 -6.975 2.811 6.513 1.00 0.25 C ATOM 2030 O MET A 130 -6.254 2.037 7.143 1.00 0.29 O ATOM 2031 CB MET A 130 -7.865 2.530 4.214 1.00 0.31 C ATOM 2032 CG MET A 130 -8.719 1.697 3.285 1.00 0.29 C ATOM 2033 SD MET A 130 -8.343 2.020 1.555 1.00 1.08 S ATOM 2034 CE MET A 130 -6.613 1.578 1.506 1.00 0.31 C ATOM 0 H MET A 130 -9.858 3.496 5.386 1.00 0.24 H new ATOM 0 HA MET A 130 -8.288 1.232 5.854 1.00 0.26 H new ATOM 0 HB2 MET A 130 -8.019 3.584 3.984 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.815 2.311 4.020 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.563 0.640 3.499 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.772 1.908 3.473 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.242 1.672 0.485 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.049 2.243 2.160 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.491 0.549 1.843 1.00 0.31 H new ATOM 2044 N ALA A 131 -6.802 4.127 6.517 1.00 0.24 N ATOM 2045 CA ALA A 131 -5.716 4.743 7.257 1.00 0.24 C ATOM 2046 C ALA A 131 -5.949 4.621 8.753 1.00 0.24 C ATOM 2047 O ALA A 131 -5.007 4.410 9.513 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.554 6.199 6.866 1.00 0.25 C ATOM 0 H ALA A 131 -7.400 4.784 6.016 1.00 0.24 H new ATOM 0 HA ALA A 131 -4.796 4.216 7.006 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -4.734 6.639 7.434 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.335 6.267 5.800 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.476 6.739 7.082 1.00 0.25 H new ATOM 2054 N THR A 132 -7.201 4.763 9.176 1.00 0.26 N ATOM 2055 CA THR A 132 -7.546 4.577 10.579 1.00 0.29 C ATOM 2056 C THR A 132 -7.224 3.157 11.049 1.00 0.30 C ATOM 2057 O THR A 132 -6.694 2.965 12.143 1.00 0.32 O ATOM 2058 CB THR A 132 -9.030 4.870 10.846 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.306 6.253 10.581 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.389 4.536 12.287 1.00 0.40 C ATOM 0 H THR A 132 -7.987 5.004 8.572 1.00 0.26 H new ATOM 0 HA THR A 132 -6.941 5.288 11.141 1.00 0.29 H new ATOM 0 HB THR A 132 -9.634 4.248 10.185 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.354 6.397 9.613 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.444 4.750 12.458 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.198 3.479 12.474 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.782 5.139 12.962 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.553 2.164 10.232 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.243 0.783 10.571 1.00 0.32 C ATOM 2070 C TYR A 133 -5.742 0.615 10.742 1.00 0.32 C ATOM 2071 O TYR A 133 -5.285 -0.042 11.675 1.00 0.37 O ATOM 2072 CB TYR A 133 -7.758 -0.183 9.505 1.00 0.33 C ATOM 2073 CG TYR A 133 -7.495 -1.631 9.840 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -8.338 -2.332 10.689 1.00 1.29 C ATOM 2075 CD2 TYR A 133 -6.395 -2.293 9.314 1.00 1.72 C ATOM 2076 CE1 TYR A 133 -8.093 -3.654 11.004 1.00 1.93 C ATOM 2077 CE2 TYR A 133 -6.141 -3.611 9.624 1.00 2.40 C ATOM 2078 CZ TYR A 133 -6.992 -4.288 10.468 1.00 2.40 C ATOM 2079 OH TYR A 133 -6.738 -5.604 10.776 1.00 3.13 O ATOM 0 H TYR A 133 -8.030 2.288 9.339 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.745 0.547 11.509 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.830 -0.035 9.377 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.287 0.054 8.551 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -9.200 -1.836 11.111 1.00 1.29 H new ATOM 0 HD2 TYR A 133 -5.726 -1.766 8.650 1.00 1.72 H new ATOM 0 HE1 TYR A 133 -8.759 -4.188 11.666 1.00 1.93 H new ATOM 0 HE2 TYR A 133 -5.279 -4.110 9.207 1.00 2.40 H new ATOM 0 HH TYR A 133 -7.583 -6.068 10.950 1.00 3.13 H new ATOM 2089 N LEU A 134 -4.976 1.213 9.840 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.530 1.214 9.970 1.00 0.30 C ATOM 2091 C LEU A 134 -3.155 1.914 11.276 1.00 0.32 C ATOM 2092 O LEU A 134 -2.370 1.399 12.061 1.00 0.35 O ATOM 2093 CB LEU A 134 -2.883 1.905 8.758 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.387 1.627 8.543 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -0.936 2.140 7.183 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.550 2.261 9.640 1.00 0.88 C ATOM 0 H LEU A 134 -5.331 1.700 9.017 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.157 0.190 9.996 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.421 1.600 7.861 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.021 2.981 8.862 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.242 0.547 8.579 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.126 1.934 7.050 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.504 1.639 6.399 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.107 3.215 7.125 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.504 2.048 9.462 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -0.707 3.340 9.640 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -0.845 1.851 10.606 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.757 3.075 11.499 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.557 3.860 12.720 1.00 0.35 C ATOM 2110 C ASN A 135 -3.691 3.016 13.981 1.00 0.38 C ATOM 2111 O ASN A 135 -2.762 2.932 14.785 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.581 4.996 12.781 1.00 0.36 C ATOM 2113 CG ASN A 135 -4.037 6.320 12.309 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -4.051 6.534 11.009 1.00 0.46 O flip ATOM 2115 ND2 ASN A 135 -3.594 7.137 13.110 1.00 0.34 N flip ATOM 0 H ASN A 135 -4.403 3.505 10.837 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.542 4.255 12.681 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.445 4.729 12.172 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.934 5.102 13.807 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.603 6.929 14.109 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -3.216 8.024 12.777 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.849 2.394 14.153 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.141 1.677 15.386 1.00 0.42 C ATOM 2124 C ASP A 136 -4.523 0.283 15.402 1.00 0.40 C ATOM 2125 O ASP A 136 -3.909 -0.120 16.388 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.653 1.580 15.596 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.013 0.740 16.805 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.035 1.283 17.928 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.269 -0.470 16.639 1.00 0.58 O ATOM 0 H ASP A 136 -5.597 2.371 13.460 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.694 2.244 16.203 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.066 2.582 15.716 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.114 1.150 14.707 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.668 -0.440 14.307 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.300 -1.848 14.269 1.00 0.38 C ATOM 2136 C HIS A 137 -2.856 -2.068 13.835 1.00 0.35 C ATOM 2137 O HIS A 137 -2.107 -2.788 14.493 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.234 -2.594 13.314 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.381 -3.281 13.992 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -6.497 -4.652 14.072 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -7.480 -2.778 14.601 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -7.616 -4.962 14.699 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -8.229 -3.843 15.030 1.00 1.34 N ATOM 0 H HIS A 137 -5.039 -0.077 13.429 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.397 -2.233 15.284 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.628 -1.888 12.583 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.656 -3.335 12.762 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -7.722 -1.733 14.726 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -7.969 -5.962 14.906 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -9.118 -3.780 15.526 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.466 -1.452 12.731 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.233 -1.830 12.064 1.00 0.29 C ATOM 2154 C LEU A 138 -0.020 -1.070 12.563 1.00 0.27 C ATOM 2155 O LEU A 138 1.046 -1.655 12.693 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.397 -1.639 10.565 1.00 0.30 C ATOM 2157 CG LEU A 138 -2.619 -2.347 10.003 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.745 -2.111 8.518 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.542 -3.825 10.317 1.00 1.20 C ATOM 0 H LEU A 138 -2.981 -0.695 12.282 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.048 -2.878 12.297 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -1.469 -0.574 10.346 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.506 -2.008 10.058 1.00 0.30 H new ATOM 0 HG LEU A 138 -3.512 -1.936 10.474 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -3.627 -2.628 8.141 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -2.841 -1.042 8.326 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -1.857 -2.492 8.013 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -3.420 -4.329 9.913 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -1.643 -4.246 9.868 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.508 -3.966 11.397 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.179 0.219 12.840 1.00 0.30 N ATOM 2172 CA GLU A 139 0.960 1.075 13.175 1.00 0.31 C ATOM 2173 C GLU A 139 1.835 0.466 14.281 1.00 0.30 C ATOM 2174 O GLU A 139 3.043 0.341 14.088 1.00 0.30 O ATOM 2175 CB GLU A 139 0.520 2.489 13.562 1.00 0.38 C ATOM 2176 CG GLU A 139 1.692 3.447 13.690 1.00 0.40 C ATOM 2177 CD GLU A 139 1.299 4.794 14.258 1.00 0.49 C ATOM 2178 OE1 GLU A 139 0.638 4.828 15.314 1.00 0.61 O ATOM 2179 OE2 GLU A 139 1.620 5.824 13.630 1.00 0.75 O ATOM 0 H GLU A 139 -1.081 0.696 12.840 1.00 0.30 H new ATOM 0 HA GLU A 139 1.563 1.145 12.270 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.175 2.868 12.813 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.020 2.452 14.508 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.452 2.998 14.329 1.00 0.40 H new ATOM 0 HG3 GLU A 139 2.144 3.591 12.709 1.00 0.40 H new ATOM 2186 N PRO A 140 1.260 0.065 15.444 1.00 0.32 N ATOM 2187 CA PRO A 140 2.037 -0.590 16.506 1.00 0.34 C ATOM 2188 C PRO A 140 2.796 -1.801 15.977 1.00 0.32 C ATOM 2189 O PRO A 140 4.006 -1.920 16.155 1.00 0.34 O ATOM 2190 CB PRO A 140 0.973 -1.035 17.512 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.175 -0.120 17.288 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.162 0.215 15.825 1.00 0.36 C ATOM 0 HA PRO A 140 2.789 0.073 16.933 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.687 -2.074 17.350 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.342 -0.962 18.535 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.114 -0.597 17.570 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.080 0.780 17.895 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -0.803 -0.457 15.254 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.521 1.228 15.643 1.00 0.36 H new ATOM 2200 N TRP A 141 2.062 -2.677 15.302 1.00 0.31 N ATOM 2201 CA TRP A 141 2.616 -3.886 14.701 1.00 0.32 C ATOM 2202 C TRP A 141 3.773 -3.541 13.762 1.00 0.31 C ATOM 2203 O TRP A 141 4.858 -4.097 13.875 1.00 0.36 O ATOM 2204 CB TRP A 141 1.508 -4.602 13.944 1.00 0.35 C ATOM 2205 CG TRP A 141 1.721 -6.068 13.829 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.449 -6.711 12.882 1.00 0.43 C ATOM 2207 CD2 TRP A 141 1.203 -7.081 14.700 1.00 0.63 C ATOM 2208 NE1 TRP A 141 2.387 -8.061 13.081 1.00 0.60 N ATOM 2209 CE2 TRP A 141 1.642 -8.317 14.200 1.00 0.70 C ATOM 2210 CE3 TRP A 141 0.405 -7.062 15.848 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 1.312 -9.527 14.807 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 0.081 -8.263 16.453 1.00 1.19 C ATOM 2213 CH2 TRP A 141 0.535 -9.480 15.931 1.00 1.20 C ATOM 0 H TRP A 141 1.059 -2.569 15.155 1.00 0.31 H new ATOM 0 HA TRP A 141 3.009 -4.537 15.482 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.558 -4.419 14.447 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.427 -4.175 12.944 1.00 0.35 H new ATOM 0 HD1 TRP A 141 2.997 -6.227 12.087 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.826 -8.766 12.489 1.00 0.60 H new ATOM 0 HE3 TRP A 141 0.048 -6.127 16.255 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 1.657 -10.468 14.404 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -0.532 -8.262 17.342 1.00 1.19 H new ATOM 0 HH2 TRP A 141 0.266 -10.401 16.427 1.00 1.20 H new ATOM 2224 N ILE A 142 3.519 -2.618 12.846 1.00 0.26 N ATOM 2225 CA ILE A 142 4.547 -2.057 11.973 1.00 0.26 C ATOM 2226 C ILE A 142 5.797 -1.662 12.756 1.00 0.29 C ATOM 2227 O ILE A 142 6.909 -2.065 12.416 1.00 0.32 O ATOM 2228 CB ILE A 142 3.979 -0.813 11.269 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.904 -1.225 10.274 1.00 0.28 C ATOM 2230 CG2 ILE A 142 5.076 -0.016 10.588 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.974 -0.100 9.900 1.00 0.26 C ATOM 0 H ILE A 142 2.588 -2.233 12.684 1.00 0.26 H new ATOM 0 HA ILE A 142 4.830 -2.818 11.246 1.00 0.26 H new ATOM 0 HB ILE A 142 3.529 -0.166 12.022 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.381 -1.607 9.372 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.321 -2.043 10.697 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.642 0.857 10.100 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.805 0.309 11.331 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.570 -0.640 9.843 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.233 -0.462 9.188 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.470 0.268 10.794 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.546 0.710 9.447 1.00 0.26 H new ATOM 2243 N GLN A 143 5.605 -0.863 13.796 1.00 0.30 N ATOM 2244 CA GLN A 143 6.711 -0.376 14.610 1.00 0.35 C ATOM 2245 C GLN A 143 7.458 -1.524 15.294 1.00 0.39 C ATOM 2246 O GLN A 143 8.662 -1.424 15.531 1.00 0.43 O ATOM 2247 CB GLN A 143 6.207 0.623 15.646 1.00 0.41 C ATOM 2248 CG GLN A 143 5.463 1.796 15.029 1.00 0.43 C ATOM 2249 CD GLN A 143 6.287 2.551 14.003 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.513 2.623 14.094 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.615 3.112 13.011 1.00 0.52 N ATOM 0 H GLN A 143 4.687 -0.536 14.098 1.00 0.30 H new ATOM 0 HA GLN A 143 7.415 0.126 13.946 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.548 0.110 16.346 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.053 0.999 16.221 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.551 1.432 14.557 1.00 0.43 H new ATOM 0 HG3 GLN A 143 5.160 2.483 15.819 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.599 3.029 12.972 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.113 3.627 12.285 1.00 0.52 H new ATOM 2260 N GLU A 144 6.752 -2.616 15.596 1.00 0.40 N ATOM 2261 CA GLU A 144 7.379 -3.812 16.151 1.00 0.47 C ATOM 2262 C GLU A 144 8.354 -4.413 15.151 1.00 0.48 C ATOM 2263 O GLU A 144 9.254 -5.173 15.505 1.00 0.55 O ATOM 2264 CB GLU A 144 6.309 -4.848 16.475 1.00 0.51 C ATOM 2265 CG GLU A 144 5.231 -4.337 17.397 1.00 0.52 C ATOM 2266 CD GLU A 144 5.676 -4.260 18.839 1.00 0.61 C ATOM 2267 OE1 GLU A 144 5.667 -5.303 19.525 1.00 0.78 O ATOM 2268 OE2 GLU A 144 6.034 -3.154 19.296 1.00 0.67 O ATOM 0 H GLU A 144 5.744 -2.694 15.464 1.00 0.40 H new ATOM 0 HA GLU A 144 7.917 -3.531 17.057 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.850 -5.186 15.546 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.783 -5.717 16.931 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.917 -3.347 17.066 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.360 -4.989 17.325 1.00 0.52 H new ATOM 2275 N ASN A 145 8.158 -4.056 13.894 1.00 0.44 N ATOM 2276 CA ASN A 145 8.932 -4.607 12.795 1.00 0.48 C ATOM 2277 C ASN A 145 9.948 -3.576 12.340 1.00 0.47 C ATOM 2278 O ASN A 145 10.711 -3.798 11.403 1.00 0.57 O ATOM 2279 CB ASN A 145 8.015 -4.997 11.624 1.00 0.49 C ATOM 2280 CG ASN A 145 7.029 -6.108 11.968 1.00 0.58 C ATOM 2281 OD1 ASN A 145 6.565 -6.131 13.208 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 6.673 -6.923 11.117 1.00 0.54 N flip ATOM 0 H ASN A 145 7.456 -3.374 13.606 1.00 0.44 H new ATOM 0 HA ASN A 145 9.445 -5.506 13.136 1.00 0.48 H new ATOM 0 HB2 ASN A 145 7.460 -4.117 11.299 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.630 -5.315 10.782 1.00 0.49 H new ATOM 0 HD21 ASN A 145 7.053 -6.873 10.172 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.998 -7.649 11.357 1.00 0.54 H new ATOM 2289 N GLY A 146 9.934 -2.442 13.023 1.00 0.42 N ATOM 2290 CA GLY A 146 10.865 -1.380 12.739 1.00 0.45 C ATOM 2291 C GLY A 146 10.169 -0.069 12.449 1.00 0.44 C ATOM 2292 O GLY A 146 10.537 0.975 12.986 1.00 0.56 O ATOM 0 H GLY A 146 9.281 -2.240 13.781 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.537 -1.252 13.588 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.481 -1.659 11.884 1.00 0.45 H new ATOM 2296 N GLY A 147 9.145 -0.130 11.613 1.00 0.36 N ATOM 2297 CA GLY A 147 8.432 1.065 11.215 1.00 0.36 C ATOM 2298 C GLY A 147 8.179 1.081 9.724 1.00 0.38 C ATOM 2299 O GLY A 147 8.598 0.164 9.017 1.00 0.49 O ATOM 0 H GLY A 147 8.792 -0.993 11.200 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.483 1.120 11.748 1.00 0.36 H new ATOM 0 HA3 GLY A 147 9.008 1.946 11.498 1.00 0.36 H new ATOM 2303 N TRP A 148 7.498 2.112 9.238 1.00 0.35 N ATOM 2304 CA TRP A 148 7.195 2.213 7.816 1.00 0.37 C ATOM 2305 C TRP A 148 8.480 2.332 7.006 1.00 0.38 C ATOM 2306 O TRP A 148 8.586 1.767 5.915 1.00 0.40 O ATOM 2307 CB TRP A 148 6.287 3.407 7.521 1.00 0.39 C ATOM 2308 CG TRP A 148 4.897 3.283 8.060 1.00 0.46 C ATOM 2309 CD1 TRP A 148 3.983 2.319 7.754 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.251 4.174 8.974 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.812 2.554 8.430 1.00 0.52 N ATOM 2312 CE2 TRP A 148 2.954 3.683 9.188 1.00 1.25 C ATOM 2313 CE3 TRP A 148 4.646 5.335 9.638 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.051 4.315 10.036 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 3.749 5.962 10.478 1.00 3.57 C ATOM 2316 CH2 TRP A 148 2.464 5.449 10.671 1.00 3.32 C ATOM 0 H TRP A 148 7.147 2.885 9.803 1.00 0.35 H new ATOM 0 HA TRP A 148 6.668 1.304 7.527 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.744 4.305 7.936 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.232 3.547 6.441 1.00 0.39 H new ATOM 0 HD1 TRP A 148 4.155 1.493 7.080 1.00 0.79 H new ATOM 0 HE1 TRP A 148 1.971 1.979 8.376 1.00 0.52 H new ATOM 0 HE3 TRP A 148 5.638 5.737 9.497 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.057 3.921 10.187 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 4.045 6.863 10.994 1.00 3.57 H new ATOM 0 HH2 TRP A 148 1.784 5.961 11.336 1.00 3.32 H new ATOM 2327 N ASP A 149 9.455 3.065 7.551 1.00 0.42 N ATOM 2328 CA ASP A 149 10.770 3.196 6.919 1.00 0.47 C ATOM 2329 C ASP A 149 11.347 1.824 6.620 1.00 0.47 C ATOM 2330 O ASP A 149 11.874 1.576 5.535 1.00 0.52 O ATOM 2331 CB ASP A 149 11.763 3.938 7.823 1.00 0.56 C ATOM 2332 CG ASP A 149 11.437 5.402 8.038 1.00 1.23 C ATOM 2333 OD1 ASP A 149 11.718 6.216 7.132 1.00 1.72 O ATOM 2334 OD2 ASP A 149 10.946 5.754 9.131 1.00 1.96 O ATOM 0 H ASP A 149 9.358 3.576 8.428 1.00 0.42 H new ATOM 0 HA ASP A 149 10.625 3.764 6.000 1.00 0.47 H new ATOM 0 HB2 ASP A 149 11.797 3.439 8.792 1.00 0.56 H new ATOM 0 HB3 ASP A 149 12.760 3.860 7.389 1.00 0.56 H new ATOM 2339 N THR A 150 11.217 0.933 7.592 1.00 0.47 N ATOM 2340 CA THR A 150 11.788 -0.398 7.509 1.00 0.51 C ATOM 2341 C THR A 150 11.235 -1.182 6.326 1.00 0.50 C ATOM 2342 O THR A 150 11.971 -1.908 5.664 1.00 0.56 O ATOM 2343 CB THR A 150 11.539 -1.179 8.808 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.124 -0.476 9.910 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.122 -2.579 8.717 1.00 0.67 C ATOM 0 H THR A 150 10.712 1.115 8.459 1.00 0.47 H new ATOM 0 HA THR A 150 12.861 -0.275 7.362 1.00 0.51 H new ATOM 0 HB THR A 150 10.463 -1.267 8.961 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.899 -0.975 10.242 1.00 0.62 H new ATOM 0 HG21 THR A 150 11.933 -3.113 9.648 1.00 0.67 H new ATOM 0 HG22 THR A 150 11.655 -3.115 7.891 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.197 -2.515 8.547 1.00 0.67 H new ATOM 2353 N PHE A 151 9.952 -1.022 6.037 1.00 0.45 N ATOM 2354 CA PHE A 151 9.349 -1.754 4.934 1.00 0.47 C ATOM 2355 C PHE A 151 10.002 -1.348 3.622 1.00 0.48 C ATOM 2356 O PHE A 151 10.242 -2.183 2.754 1.00 0.55 O ATOM 2357 CB PHE A 151 7.839 -1.527 4.854 1.00 0.47 C ATOM 2358 CG PHE A 151 7.201 -2.276 3.715 1.00 1.18 C ATOM 2359 CD1 PHE A 151 6.854 -3.612 3.852 1.00 1.80 C ATOM 2360 CD2 PHE A 151 6.928 -1.637 2.517 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.250 -4.294 2.815 1.00 2.65 C ATOM 2362 CE2 PHE A 151 6.322 -2.315 1.478 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.066 -3.675 1.602 1.00 3.00 C ATOM 0 H PHE A 151 9.318 -0.403 6.541 1.00 0.45 H new ATOM 0 HA PHE A 151 9.515 -2.816 5.115 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.378 -1.838 5.792 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.641 -0.461 4.739 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.059 -4.124 4.780 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.192 -0.597 2.394 1.00 1.75 H new ATOM 0 HE1 PHE A 151 5.922 -5.313 2.957 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.049 -1.791 0.574 1.00 2.61 H new ATOM 0 HZ PHE A 151 5.724 -4.243 0.749 1.00 3.00 H new ATOM 2373 N VAL A 152 10.310 -0.067 3.489 1.00 0.45 N ATOM 2374 CA VAL A 152 10.971 0.425 2.294 1.00 0.49 C ATOM 2375 C VAL A 152 12.447 0.011 2.310 1.00 0.57 C ATOM 2376 O VAL A 152 13.095 -0.079 1.269 1.00 0.64 O ATOM 2377 CB VAL A 152 10.805 1.959 2.090 1.00 0.60 C ATOM 2378 CG1 VAL A 152 9.725 2.526 3.002 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.116 2.705 2.271 1.00 0.91 C ATOM 0 H VAL A 152 10.113 0.646 4.191 1.00 0.45 H new ATOM 0 HA VAL A 152 10.481 -0.035 1.436 1.00 0.49 H new ATOM 0 HB VAL A 152 10.488 2.108 1.058 1.00 0.60 H new ATOM 0 HG11 VAL A 152 9.634 3.599 2.835 1.00 1.15 H new ATOM 0 HG12 VAL A 152 8.773 2.043 2.783 1.00 1.15 H new ATOM 0 HG13 VAL A 152 9.994 2.342 4.042 1.00 1.15 H new ATOM 0 HG21 VAL A 152 11.952 3.772 2.119 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.495 2.536 3.279 1.00 0.91 H new ATOM 0 HG23 VAL A 152 12.844 2.343 1.545 1.00 0.91 H new ATOM 2389 N GLU A 153 12.986 -0.225 3.499 1.00 0.59 N ATOM 2390 CA GLU A 153 14.331 -0.767 3.619 1.00 0.69 C ATOM 2391 C GLU A 153 14.385 -2.172 3.024 1.00 0.70 C ATOM 2392 O GLU A 153 15.437 -2.640 2.588 1.00 0.80 O ATOM 2393 CB GLU A 153 14.779 -0.790 5.077 1.00 0.76 C ATOM 2394 CG GLU A 153 14.907 0.598 5.660 1.00 0.80 C ATOM 2395 CD GLU A 153 15.925 1.441 4.925 1.00 1.31 C ATOM 2396 OE1 GLU A 153 17.137 1.229 5.136 1.00 1.58 O ATOM 2397 OE2 GLU A 153 15.519 2.322 4.140 1.00 1.67 O ATOM 0 H GLU A 153 12.516 -0.051 4.387 1.00 0.59 H new ATOM 0 HA GLU A 153 15.013 -0.122 3.065 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.063 -1.364 5.666 1.00 0.76 H new ATOM 0 HB3 GLU A 153 15.738 -1.303 5.152 1.00 0.76 H new ATOM 0 HG2 GLU A 153 13.937 1.094 5.627 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.191 0.523 6.710 1.00 0.80 H new ATOM 2404 N LEU A 154 13.235 -2.836 3.010 1.00 0.67 N ATOM 2405 CA LEU A 154 13.124 -4.177 2.449 1.00 0.72 C ATOM 2406 C LEU A 154 12.631 -4.113 1.007 1.00 0.74 C ATOM 2407 O LEU A 154 13.294 -4.579 0.082 1.00 0.83 O ATOM 2408 CB LEU A 154 12.140 -5.028 3.266 1.00 0.72 C ATOM 2409 CG LEU A 154 12.100 -4.747 4.770 1.00 0.83 C ATOM 2410 CD1 LEU A 154 11.149 -5.705 5.468 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.487 -4.835 5.376 1.00 1.14 C ATOM 0 H LEU A 154 12.361 -2.465 3.383 1.00 0.67 H new ATOM 0 HA LEU A 154 14.114 -4.632 2.481 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.139 -4.879 2.862 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.390 -6.079 3.119 1.00 0.72 H new ATOM 0 HG LEU A 154 11.733 -3.731 4.914 1.00 0.83 H new ATOM 0 HD11 LEU A 154 11.134 -5.489 6.536 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.146 -5.584 5.060 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.484 -6.730 5.309 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.430 -4.631 6.445 1.00 1.14 H new ATOM 0 HD22 LEU A 154 13.890 -5.835 5.218 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.139 -4.102 4.901 1.00 1.14 H new ATOM 2423 N TYR A 155 11.470 -3.504 0.827 1.00 0.69 N ATOM 2424 CA TYR A 155 10.769 -3.524 -0.446 1.00 0.78 C ATOM 2425 C TYR A 155 10.565 -2.121 -0.984 1.00 0.77 C ATOM 2426 O TYR A 155 9.606 -1.854 -1.714 1.00 1.15 O ATOM 2427 CB TYR A 155 9.418 -4.207 -0.282 1.00 0.86 C ATOM 2428 CG TYR A 155 9.511 -5.710 -0.159 1.00 1.40 C ATOM 2429 CD1 TYR A 155 9.805 -6.502 -1.262 1.00 2.24 C ATOM 2430 CD2 TYR A 155 9.293 -6.336 1.060 1.00 1.83 C ATOM 2431 CE1 TYR A 155 9.880 -7.877 -1.151 1.00 3.16 C ATOM 2432 CE2 TYR A 155 9.369 -7.709 1.178 1.00 2.65 C ATOM 2433 CZ TYR A 155 9.703 -8.473 0.062 1.00 3.24 C ATOM 2434 OH TYR A 155 9.731 -9.846 0.188 1.00 4.24 O ATOM 0 H TYR A 155 10.988 -2.982 1.559 1.00 0.69 H new ATOM 0 HA TYR A 155 11.380 -4.079 -1.158 1.00 0.78 H new ATOM 0 HB2 TYR A 155 8.924 -3.808 0.604 1.00 0.86 H new ATOM 0 HB3 TYR A 155 8.789 -3.959 -1.137 1.00 0.86 H new ATOM 0 HD1 TYR A 155 9.978 -6.036 -2.221 1.00 2.24 H new ATOM 0 HD2 TYR A 155 9.060 -5.740 1.930 1.00 1.83 H new ATOM 0 HE1 TYR A 155 10.079 -8.479 -2.025 1.00 3.16 H new ATOM 0 HE2 TYR A 155 9.171 -8.186 2.126 1.00 2.65 H new ATOM 0 HH TYR A 155 9.588 -10.091 1.126 1.00 4.24 H new ATOM 2444 N GLY A 156 11.475 -1.236 -0.626 1.00 0.66 N ATOM 2445 CA GLY A 156 11.412 0.135 -1.080 1.00 0.64 C ATOM 2446 C GLY A 156 11.488 0.269 -2.573 1.00 0.78 C ATOM 2447 O GLY A 156 11.805 -0.679 -3.292 1.00 1.10 O ATOM 0 H GLY A 156 12.268 -1.445 -0.020 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.483 0.585 -0.728 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.229 0.698 -0.629 1.00 0.64 H new ATOM 2451 N ASN A 157 11.180 1.462 -3.017 1.00 0.70 N ATOM 2452 CA ASN A 157 11.151 1.805 -4.418 1.00 0.80 C ATOM 2453 C ASN A 157 12.489 1.524 -5.089 1.00 1.14 C ATOM 2454 O ASN A 157 13.493 2.159 -4.772 1.00 1.29 O ATOM 2455 CB ASN A 157 10.792 3.274 -4.511 1.00 0.70 C ATOM 2456 CG ASN A 157 10.712 3.782 -5.928 1.00 0.77 C ATOM 2457 OD1 ASN A 157 9.568 3.584 -6.553 1.00 0.88 O flip ATOM 2458 ND2 ASN A 157 11.675 4.333 -6.460 1.00 0.76 N flip ATOM 0 H ASN A 157 10.937 2.239 -2.402 1.00 0.70 H new ATOM 0 HA ASN A 157 10.414 1.195 -4.941 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.833 3.438 -4.019 1.00 0.70 H new ATOM 0 HB3 ASN A 157 11.534 3.857 -3.965 1.00 0.70 H new ATOM 0 HD21 ASN A 157 12.541 4.464 -5.937 1.00 0.76 H new ATOM 0 HD22 ASN A 157 11.608 4.658 -7.424 1.00 0.76 H new ATOM 2969 N GLY B1005 -11.702 -14.160 2.347 1.00 1.02 N ATOM 2970 CA GLY B1005 -10.962 -14.673 3.500 1.00 1.07 C ATOM 2971 C GLY B1005 -9.998 -15.806 3.148 1.00 1.05 C ATOM 2972 O GLY B1005 -8.935 -15.936 3.754 1.00 1.20 O ATOM 0 HA2 GLY B1005 -10.401 -13.857 3.955 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -11.671 -15.028 4.248 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.370 -16.629 2.176 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.487 -17.678 1.675 1.00 1.08 C ATOM 2978 C ARG B1006 -8.514 -17.128 0.633 1.00 1.04 C ATOM 2979 O ARG B1006 -7.299 -17.231 0.785 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.293 -18.816 1.040 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.886 -19.818 2.019 1.00 1.24 C ATOM 2982 CD ARG B1006 -11.868 -19.176 2.977 1.00 1.55 C ATOM 2983 NE ARG B1006 -12.702 -20.173 3.640 1.00 1.88 N ATOM 2984 CZ ARG B1006 -13.023 -20.154 4.930 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -12.516 -19.228 5.734 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -13.834 -21.081 5.421 1.00 2.87 N ATOM 0 H ARG B1006 -11.280 -16.591 1.717 1.00 1.08 H new ATOM 0 HA ARG B1006 -8.927 -18.059 2.529 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.103 -18.382 0.454 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.648 -19.352 0.344 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.389 -20.610 1.464 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -10.082 -20.287 2.587 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -11.323 -18.600 3.726 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -12.501 -18.474 2.434 1.00 1.55 H new ATOM 0 HE ARG B1006 -13.065 -20.939 3.073 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -11.876 -18.525 5.363 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -12.766 -19.219 6.723 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -14.210 -21.806 4.809 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -14.082 -21.069 6.410 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.066 -16.533 -0.419 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.291 -16.155 -1.598 1.00 1.05 C ATOM 3002 C ALA B1007 -7.298 -15.034 -1.320 1.00 1.02 C ATOM 3003 O ALA B1007 -6.107 -15.183 -1.582 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.221 -15.749 -2.722 1.00 1.10 C ATOM 0 H ALA B1007 -10.057 -16.300 -0.480 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.712 -17.031 -1.889 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.634 -15.469 -3.597 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.873 -16.585 -2.975 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.827 -14.900 -2.404 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.793 -13.921 -0.797 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.968 -12.738 -0.575 1.00 0.83 C ATOM 3012 C LEU B1008 -5.799 -13.055 0.340 1.00 0.78 C ATOM 3013 O LEU B1008 -4.651 -12.798 -0.007 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.805 -11.605 0.018 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.628 -10.784 -0.976 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.769 -10.367 -2.150 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.849 -11.544 -1.449 1.00 1.33 C ATOM 0 H LEU B1008 -8.767 -13.811 -0.517 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.574 -12.418 -1.539 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -8.484 -12.031 0.756 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -7.137 -10.929 0.552 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.979 -9.889 -0.462 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -8.367 -9.783 -2.850 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -6.935 -9.762 -1.794 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.385 -11.254 -2.653 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -10.409 -10.930 -2.154 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.536 -12.466 -1.940 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -10.482 -11.784 -0.594 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.108 -13.616 1.500 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.110 -14.045 2.462 1.00 0.78 C ATOM 3031 C ALA B1009 -4.010 -14.858 1.779 1.00 0.80 C ATOM 3032 O ALA B1009 -2.815 -14.652 2.007 1.00 0.76 O ATOM 3033 CB ALA B1009 -5.758 -14.899 3.537 1.00 0.88 C ATOM 0 H ALA B1009 -7.068 -13.787 1.800 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.669 -13.154 2.910 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -5.001 -15.217 4.255 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.524 -14.318 4.050 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -6.214 -15.776 3.079 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.458 -15.783 0.931 1.00 0.89 N ATOM 3040 CA ALA B1010 -3.586 -16.707 0.222 1.00 0.94 C ATOM 3041 C ALA B1010 -2.710 -15.979 -0.791 1.00 0.92 C ATOM 3042 O ALA B1010 -1.484 -16.096 -0.769 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.435 -17.757 -0.476 1.00 1.03 C ATOM 0 H ALA B1010 -5.447 -15.910 0.718 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.924 -17.186 0.944 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -3.787 -18.453 -1.009 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -5.021 -18.302 0.264 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -5.106 -17.271 -1.184 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.348 -15.220 -1.676 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.634 -14.452 -2.690 1.00 0.93 C ATOM 3051 C PHE B1011 -1.807 -13.343 -2.039 1.00 0.85 C ATOM 3052 O PHE B1011 -0.894 -12.787 -2.651 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.620 -13.840 -3.693 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.193 -14.812 -4.695 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -3.462 -15.172 -5.812 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.468 -15.342 -4.540 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -3.983 -16.043 -6.748 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -5.995 -16.206 -5.473 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.252 -16.561 -6.580 1.00 1.46 C ATOM 0 H PHE B1011 -4.362 -15.120 -1.711 1.00 0.93 H new ATOM 0 HA PHE B1011 -1.964 -15.129 -3.219 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.441 -13.384 -3.140 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -3.116 -13.039 -4.233 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.471 -14.767 -5.954 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -6.055 -15.072 -3.674 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -3.398 -16.319 -7.612 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -6.989 -16.606 -5.339 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.661 -17.241 -7.312 1.00 1.46 H new ATOM 3069 N GLY B1012 -2.132 -13.036 -0.791 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.479 -11.960 -0.082 1.00 0.72 C ATOM 3071 C GLY B1012 -0.173 -12.368 0.561 1.00 0.73 C ATOM 3072 O GLY B1012 0.531 -11.540 1.134 1.00 0.78 O ATOM 0 H GLY B1012 -2.848 -13.523 -0.252 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -1.293 -11.139 -0.774 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -2.152 -11.582 0.688 1.00 0.72 H new ATOM 3076 N ASP B1013 0.156 -13.642 0.467 1.00 0.78 N ATOM 3077 CA ASP B1013 1.422 -14.135 0.988 1.00 0.86 C ATOM 3078 C ASP B1013 2.472 -14.139 -0.122 1.00 0.93 C ATOM 3079 O ASP B1013 3.616 -14.548 0.073 1.00 1.06 O ATOM 3080 CB ASP B1013 1.235 -15.541 1.567 1.00 0.98 C ATOM 3081 CG ASP B1013 2.470 -16.059 2.280 1.00 1.18 C ATOM 3082 OD1 ASP B1013 2.821 -15.512 3.348 1.00 1.90 O ATOM 3083 OD2 ASP B1013 3.110 -16.998 1.758 1.00 1.48 O ATOM 0 H ASP B1013 -0.432 -14.355 0.036 1.00 0.78 H new ATOM 0 HA ASP B1013 1.767 -13.478 1.786 1.00 0.86 H new ATOM 0 HB2 ASP B1013 0.397 -15.532 2.264 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.973 -16.227 0.762 1.00 0.98 H new ATOM 3088 N CYS B1014 2.080 -13.636 -1.286 1.00 0.93 N ATOM 3089 CA CYS B1014 2.940 -13.668 -2.460 1.00 1.06 C ATOM 3090 C CYS B1014 3.687 -12.346 -2.650 1.00 1.08 C ATOM 3091 O CYS B1014 4.037 -11.979 -3.771 1.00 1.44 O ATOM 3092 CB CYS B1014 2.105 -13.983 -3.702 1.00 1.12 C ATOM 3093 SG CYS B1014 1.042 -15.455 -3.522 1.00 1.34 S ATOM 0 H CYS B1014 1.171 -13.201 -1.441 1.00 0.93 H new ATOM 0 HA CYS B1014 3.685 -14.449 -2.311 1.00 1.06 H new ATOM 0 HB2 CYS B1014 1.480 -13.121 -3.936 1.00 1.12 H new ATOM 0 HB3 CYS B1014 2.774 -14.131 -4.550 1.00 1.12 H new ATOM 0 HG CYS B1014 0.371 -15.643 -4.620 1.00 1.34 H new