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 5 ASN :FLIP amide:sc= -0.704! C(o=-3!,f=-0.33!) USER MOD Set 1.2: A 135 ASN : amide:sc= 0.378 K(o=-0.33,f=-1.1) USER MOD Set 2.1: A 69 THR OG1 : rot 180:sc= 0.0141 USER MOD Set 2.2: A 117 LYS NZ :NH3+ 139:sc= 0.614 (180deg=-1.6!) USER MOD Set 3.1: A 61 TYR OH : rot -5:sc= 0.0108 USER MOD Set 3.2: A 105 SER OG : rot 45:sc= -0.139! USER MOD Set 4.1: A 48 GLN :FLIP amide:sc= -2.48! C(o=-5.2!,f=-3.1!) USER MOD Set 4.2: A 157 ASN : amide:sc= -0.648 K(o=-3.1,f=-4.1!) USER MOD Set 5.1: A 23 SER OG : rot -106:sc= 0.0886 USER MOD Set 5.2: A 25 SER OG : rot 180:sc= 0.123 USER MOD Set 6.1: A 16 LYS NZ :NH3+ 165:sc= 1.13 (180deg=0.441) USER MOD Set 6.2: A 19 GLN : amide:sc= 0 K(o=1.1,f=0.44) USER MOD Single : A 3 GLN : amide:sc= -0.0728 K(o=-0.073,f=-1) USER MOD Single : A 4 SER OG : rot -165:sc= 1.28 USER MOD Single : A 14 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 57:sc= 1.25 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 X(o=0,f=-0.39) USER MOD Single : A 28 SER OG : rot -55:sc= -1.25! USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 81:sc= -0.0335 USER MOD Single : A 47 LYS NZ :NH3+ 153:sc= -0.717! (180deg=-1.35!) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= -1.74! C(o=-4!,f=-1.7!) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.02) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.31! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0.00204 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= -0.218 X(o=-0.22,f=-0.4) USER MOD Single : A 82 SER OG : rot -135:sc= 0.152 USER MOD Single : A 85 GLN :FLIP amide:sc= -0.275 F(o=-1.1,f=-0.28) USER MOD Single : A 88 ASN : amide:sc= 0.208 X(o=0.21,f=-0.015) USER MOD Single : A 96 ASN :FLIP amide:sc= -0.378 F(o=-2.7,f=-0.38) USER MOD Single : A 111 CYS SG : rot 168:sc= -14.1! USER MOD Single : A 114 SER OG : rot 73:sc= 0.969 USER MOD Single : A 119 MET CE :methyl -151:sc= -5.05! (180deg=-9.8!) USER MOD Single : A 120 GLN :FLIP amide:sc= -3.1! C(o=-3.7!,f=-3.1!) USER MOD Single : A 124 SER OG : rot -100:sc= 0 USER MOD Single : A 130 MET CE :methyl 171:sc= -3.13! (180deg=-3.35!) USER MOD Single : A 132 THR OG1 : rot 75:sc= 0.276 USER MOD Single : A 133 TYR OH : rot -7:sc= 0.548 USER MOD Single : A 137 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 143 GLN : amide:sc= 0.125 K(o=0.13,f=-0.73) USER MOD Single : A 145 ASN :FLIP amide:sc= -3.57! C(o=-6.3!,f=-3.6!) USER MOD Single : A 150 THR OG1 : rot -120:sc=-0.00629 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 -0.409 10.488 11.741 1.00 0.73 N ATOM 32 CA GLN A 3 -1.357 10.870 10.703 1.00 0.73 C ATOM 33 C GLN A 3 -0.812 10.550 9.316 1.00 0.61 C ATOM 34 O GLN A 3 -1.535 10.614 8.325 1.00 0.64 O ATOM 35 CB GLN A 3 -1.695 12.356 10.813 1.00 0.83 C ATOM 36 CG GLN A 3 -2.631 12.667 11.966 1.00 1.13 C ATOM 37 CD GLN A 3 -4.045 12.180 11.712 1.00 1.76 C ATOM 38 OE1 GLN A 3 -4.502 12.132 10.570 1.00 2.42 O ATOM 39 NE2 GLN A 3 -4.743 11.801 12.768 1.00 2.22 N ATOM 0 HA GLN A 3 -2.269 10.290 10.848 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -0.773 12.924 10.937 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -2.152 12.689 9.881 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -2.248 12.204 12.876 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -2.646 13.743 12.138 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -4.330 11.856 13.699 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -5.695 11.454 12.652 1.00 2.22 H new ATOM 48 N SER A 4 0.460 10.180 9.260 1.00 0.55 N ATOM 49 CA SER A 4 1.111 9.833 8.009 1.00 0.52 C ATOM 50 C SER A 4 0.524 8.554 7.408 1.00 0.45 C ATOM 51 O SER A 4 0.668 8.300 6.210 1.00 0.46 O ATOM 52 CB SER A 4 2.615 9.685 8.245 1.00 0.61 C ATOM 53 OG SER A 4 2.872 9.059 9.493 1.00 1.25 O ATOM 0 H SER A 4 1.066 10.113 10.078 1.00 0.55 H new ATOM 0 HA SER A 4 0.936 10.633 7.290 1.00 0.52 H new ATOM 0 HB2 SER A 4 3.057 9.097 7.441 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.089 10.666 8.221 1.00 0.61 H new ATOM 0 HG SER A 4 3.814 9.181 9.732 1.00 1.25 H new ATOM 59 N ASN A 5 -0.158 7.761 8.237 1.00 0.43 N ATOM 60 CA ASN A 5 -0.824 6.550 7.756 1.00 0.39 C ATOM 61 C ASN A 5 -1.932 6.913 6.779 1.00 0.35 C ATOM 62 O ASN A 5 -2.333 6.103 5.944 1.00 0.35 O ATOM 63 CB ASN A 5 -1.417 5.726 8.904 1.00 0.40 C ATOM 64 CG ASN A 5 -0.399 5.302 9.935 1.00 0.80 C ATOM 65 OD1 ASN A 5 -0.849 5.144 11.168 1.00 1.78 O flip ATOM 66 ND2 ASN A 5 0.768 5.107 9.624 1.00 0.53 N flip ATOM 0 H ASN A 5 -0.263 7.934 9.237 1.00 0.43 H new ATOM 0 HA ASN A 5 -0.067 5.944 7.257 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -2.196 6.310 9.394 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -1.896 4.838 8.492 1.00 0.40 H new ATOM 0 HD21 ASN A 5 1.068 5.242 8.659 1.00 0.53 H new ATOM 0 HD22 ASN A 5 1.441 4.809 10.330 1.00 0.53 H new ATOM 73 N ARG A 6 -2.427 8.140 6.905 1.00 0.35 N ATOM 74 CA ARG A 6 -3.420 8.676 5.986 1.00 0.34 C ATOM 75 C ARG A 6 -2.898 8.623 4.565 1.00 0.31 C ATOM 76 O ARG A 6 -3.521 8.044 3.679 1.00 0.30 O ATOM 77 CB ARG A 6 -3.735 10.130 6.340 1.00 0.41 C ATOM 78 CG ARG A 6 -4.682 10.792 5.358 1.00 0.59 C ATOM 79 CD ARG A 6 -6.015 10.084 5.362 1.00 0.41 C ATOM 80 NE ARG A 6 -6.685 10.252 6.651 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.653 9.471 7.111 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.109 8.466 6.382 1.00 1.40 N ATOM 83 NH2 ARG A 6 -8.162 9.696 8.312 1.00 0.93 N ATOM 0 H ARG A 6 -2.152 8.787 7.644 1.00 0.35 H new ATOM 0 HA ARG A 6 -4.324 8.073 6.069 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -4.172 10.168 7.338 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.805 10.698 6.377 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.818 11.840 5.623 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.253 10.770 4.356 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.645 10.479 4.565 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.870 9.023 5.157 1.00 0.41 H new ATOM 0 HE ARG A 6 -6.385 11.028 7.241 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.716 8.287 5.458 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.854 7.870 6.744 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -7.810 10.467 8.879 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -8.907 9.098 8.670 1.00 0.93 H new ATOM 97 N GLU A 7 -1.743 9.232 4.386 1.00 0.30 N ATOM 98 CA GLU A 7 -1.095 9.349 3.094 1.00 0.29 C ATOM 99 C GLU A 7 -0.935 7.994 2.429 1.00 0.25 C ATOM 100 O GLU A 7 -1.263 7.818 1.259 1.00 0.26 O ATOM 101 CB GLU A 7 0.279 9.967 3.288 1.00 0.31 C ATOM 102 CG GLU A 7 0.249 11.381 3.822 1.00 0.40 C ATOM 103 CD GLU A 7 1.637 11.910 4.089 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.374 12.190 3.123 1.00 0.68 O ATOM 105 OE2 GLU A 7 1.974 12.100 5.273 1.00 0.53 O ATOM 0 H GLU A 7 -1.220 9.667 5.146 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.717 9.974 2.453 1.00 0.29 H new ATOM 0 HB2 GLU A 7 0.853 9.343 3.973 1.00 0.31 H new ATOM 0 HB3 GLU A 7 0.806 9.961 2.334 1.00 0.31 H new ATOM 0 HG2 GLU A 7 -0.255 12.029 3.105 1.00 0.40 H new ATOM 0 HG3 GLU A 7 -0.334 11.409 4.743 1.00 0.40 H new ATOM 112 N LEU A 8 -0.396 7.058 3.192 1.00 0.26 N ATOM 113 CA LEU A 8 -0.187 5.695 2.757 1.00 0.27 C ATOM 114 C LEU A 8 -1.459 5.073 2.182 1.00 0.28 C ATOM 115 O LEU A 8 -1.398 4.271 1.253 1.00 0.40 O ATOM 116 CB LEU A 8 0.307 4.904 3.958 1.00 0.34 C ATOM 117 CG LEU A 8 1.774 5.130 4.357 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.305 6.528 4.011 1.00 1.00 C ATOM 119 CD2 LEU A 8 1.947 4.856 5.842 1.00 1.16 C ATOM 0 H LEU A 8 -0.087 7.232 4.148 1.00 0.26 H new ATOM 0 HA LEU A 8 0.548 5.678 1.952 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.323 5.149 4.813 1.00 0.34 H new ATOM 0 HB3 LEU A 8 0.167 3.843 3.752 1.00 0.34 H new ATOM 0 HG LEU A 8 2.367 4.431 3.767 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.346 6.609 4.324 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.236 6.688 2.935 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.711 7.281 4.528 1.00 1.00 H new ATOM 0 HD21 LEU A 8 2.988 5.017 6.123 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.309 5.530 6.413 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.669 3.824 6.056 1.00 1.16 H new ATOM 131 N VAL A 9 -2.605 5.451 2.730 1.00 0.23 N ATOM 132 CA VAL A 9 -3.879 5.000 2.203 1.00 0.23 C ATOM 133 C VAL A 9 -4.230 5.808 0.965 1.00 0.23 C ATOM 134 O VAL A 9 -4.393 5.274 -0.131 1.00 0.24 O ATOM 135 CB VAL A 9 -4.993 5.179 3.251 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.355 4.913 2.648 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.758 4.273 4.442 1.00 0.27 C ATOM 0 H VAL A 9 -2.676 6.069 3.539 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.795 3.943 1.950 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.968 6.214 3.592 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -7.123 5.047 3.410 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.532 5.609 1.828 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.392 3.891 2.270 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.556 4.415 5.170 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.748 3.234 4.112 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.800 4.517 4.901 1.00 0.27 H new ATOM 147 N VAL A 10 -4.324 7.106 1.175 1.00 0.23 N ATOM 148 CA VAL A 10 -4.720 8.064 0.155 1.00 0.25 C ATOM 149 C VAL A 10 -3.970 7.882 -1.160 1.00 0.25 C ATOM 150 O VAL A 10 -4.591 7.688 -2.210 1.00 0.27 O ATOM 151 CB VAL A 10 -4.484 9.479 0.684 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.737 10.517 -0.384 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.372 9.713 1.882 1.00 0.32 C ATOM 0 H VAL A 10 -4.123 7.536 2.078 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.776 7.895 -0.058 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.440 9.575 0.982 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.560 11.511 0.026 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.064 10.346 -1.224 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -5.770 10.444 -0.725 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.209 10.721 2.265 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.416 9.601 1.589 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -5.133 8.987 2.659 1.00 0.32 H new ATOM 163 N ASP A 11 -2.646 7.949 -1.104 1.00 0.26 N ATOM 164 CA ASP A 11 -1.828 7.876 -2.310 1.00 0.28 C ATOM 165 C ASP A 11 -2.075 6.569 -3.050 1.00 0.31 C ATOM 166 O ASP A 11 -2.027 6.524 -4.280 1.00 0.35 O ATOM 167 CB ASP A 11 -0.340 8.015 -1.974 1.00 0.32 C ATOM 168 CG ASP A 11 0.523 8.095 -3.220 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.551 9.170 -3.859 1.00 0.59 O ATOM 170 OD2 ASP A 11 1.173 7.091 -3.569 1.00 0.49 O ATOM 0 H ASP A 11 -2.116 8.054 -0.239 1.00 0.26 H new ATOM 0 HA ASP A 11 -2.115 8.705 -2.957 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.187 8.910 -1.370 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.025 7.165 -1.369 1.00 0.32 H new ATOM 175 N PHE A 12 -2.380 5.517 -2.299 1.00 0.32 N ATOM 176 CA PHE A 12 -2.619 4.218 -2.896 1.00 0.38 C ATOM 177 C PHE A 12 -3.997 4.178 -3.552 1.00 0.34 C ATOM 178 O PHE A 12 -4.134 3.695 -4.675 1.00 0.39 O ATOM 179 CB PHE A 12 -2.492 3.099 -1.862 1.00 0.46 C ATOM 180 CG PHE A 12 -2.100 1.780 -2.468 1.00 0.76 C ATOM 181 CD1 PHE A 12 -2.982 1.094 -3.289 1.00 0.98 C ATOM 182 CD2 PHE A 12 -0.859 1.217 -2.210 1.00 1.24 C ATOM 183 CE1 PHE A 12 -2.633 -0.124 -3.840 1.00 1.38 C ATOM 184 CE2 PHE A 12 -0.505 0.000 -2.759 1.00 1.61 C ATOM 185 CZ PHE A 12 -1.357 -0.647 -3.602 1.00 1.61 C ATOM 0 H PHE A 12 -2.466 5.542 -1.283 1.00 0.32 H new ATOM 0 HA PHE A 12 -1.859 4.058 -3.661 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.751 3.384 -1.116 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.442 2.985 -1.340 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -3.953 1.517 -3.500 1.00 0.98 H new ATOM 0 HD2 PHE A 12 -0.160 1.737 -1.571 1.00 1.24 H new ATOM 0 HE1 PHE A 12 -3.339 -0.668 -4.450 1.00 1.38 H new ATOM 0 HE2 PHE A 12 0.451 -0.440 -2.519 1.00 1.61 H new ATOM 0 HZ PHE A 12 -1.048 -1.562 -4.086 1.00 1.61 H new ATOM 195 N LEU A 13 -5.025 4.693 -2.868 1.00 0.28 N ATOM 196 CA LEU A 13 -6.352 4.756 -3.468 1.00 0.28 C ATOM 197 C LEU A 13 -6.323 5.606 -4.728 1.00 0.30 C ATOM 198 O LEU A 13 -6.905 5.238 -5.749 1.00 0.34 O ATOM 199 CB LEU A 13 -7.397 5.302 -2.491 1.00 0.25 C ATOM 200 CG LEU A 13 -8.021 4.252 -1.571 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.115 3.925 -0.414 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.380 4.703 -1.068 1.00 0.27 C ATOM 0 H LEU A 13 -4.962 5.063 -1.920 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.640 3.737 -3.726 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -6.932 6.073 -1.877 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.191 5.784 -3.061 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.156 3.345 -2.160 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.590 3.176 0.219 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.170 3.535 -0.791 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -6.929 4.827 0.169 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.799 3.937 -0.416 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.271 5.633 -0.511 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.047 4.863 -1.915 1.00 0.27 H new ATOM 214 N SER A 14 -5.617 6.725 -4.660 1.00 0.29 N ATOM 215 CA SER A 14 -5.468 7.605 -5.810 1.00 0.33 C ATOM 216 C SER A 14 -4.751 6.867 -6.940 1.00 0.37 C ATOM 217 O SER A 14 -5.118 6.985 -8.111 1.00 0.42 O ATOM 218 CB SER A 14 -4.689 8.861 -5.414 1.00 0.33 C ATOM 219 OG SER A 14 -4.720 9.834 -6.445 1.00 1.05 O ATOM 0 H SER A 14 -5.137 7.046 -3.819 1.00 0.29 H new ATOM 0 HA SER A 14 -6.456 7.906 -6.159 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.112 9.281 -4.502 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.655 8.596 -5.193 1.00 0.33 H new ATOM 0 HG SER A 14 -4.216 10.626 -6.163 1.00 1.05 H new ATOM 225 N TYR A 15 -3.743 6.083 -6.566 1.00 0.37 N ATOM 226 CA TYR A 15 -2.980 5.277 -7.512 1.00 0.45 C ATOM 227 C TYR A 15 -3.891 4.291 -8.242 1.00 0.43 C ATOM 228 O TYR A 15 -3.649 3.941 -9.397 1.00 0.55 O ATOM 229 CB TYR A 15 -1.873 4.526 -6.764 1.00 0.52 C ATOM 230 CG TYR A 15 -0.934 3.732 -7.646 1.00 0.67 C ATOM 231 CD1 TYR A 15 0.020 4.371 -8.424 1.00 0.72 C ATOM 232 CD2 TYR A 15 -0.992 2.343 -7.687 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.890 3.652 -9.220 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.120 1.615 -8.478 1.00 1.06 C ATOM 235 CZ TYR A 15 0.818 2.276 -9.242 1.00 1.03 C ATOM 236 OH TYR A 15 1.697 1.560 -10.025 1.00 1.22 O ATOM 0 H TYR A 15 -3.433 5.989 -5.599 1.00 0.37 H new ATOM 0 HA TYR A 15 -2.532 5.935 -8.256 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.288 5.246 -6.191 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.335 3.848 -6.047 1.00 0.52 H new ATOM 0 HD1 TYR A 15 0.084 5.449 -8.407 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.729 1.824 -7.092 1.00 0.89 H new ATOM 0 HE1 TYR A 15 1.624 4.166 -9.823 1.00 0.89 H new ATOM 0 HE2 TYR A 15 -0.174 0.537 -8.497 1.00 1.06 H new ATOM 0 HH TYR A 15 1.516 0.602 -9.928 1.00 1.22 H new ATOM 246 N LYS A 16 -4.954 3.867 -7.570 1.00 0.33 N ATOM 247 CA LYS A 16 -5.888 2.919 -8.131 1.00 0.33 C ATOM 248 C LYS A 16 -6.830 3.610 -9.098 1.00 0.33 C ATOM 249 O LYS A 16 -7.022 3.177 -10.220 1.00 0.42 O ATOM 250 CB LYS A 16 -6.677 2.272 -7.001 1.00 0.34 C ATOM 251 CG LYS A 16 -5.808 1.482 -6.039 1.00 0.61 C ATOM 252 CD LYS A 16 -5.063 0.371 -6.755 1.00 0.57 C ATOM 253 CE LYS A 16 -5.989 -0.346 -7.712 1.00 1.18 C ATOM 254 NZ LYS A 16 -5.520 -1.717 -8.034 1.00 1.41 N ATOM 0 H LYS A 16 -5.186 4.173 -6.625 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.339 2.154 -8.680 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.208 3.047 -6.448 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.431 1.610 -7.426 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.094 2.150 -5.558 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.429 1.057 -5.250 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -4.214 0.785 -7.300 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -4.662 -0.335 -6.028 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -6.987 -0.399 -7.276 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -6.074 0.232 -8.633 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -6.293 -2.254 -8.476 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -4.716 -1.663 -8.691 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -5.222 -2.196 -7.160 1.00 1.41 H new ATOM 268 N LEU A 17 -7.417 4.687 -8.639 1.00 0.33 N ATOM 269 CA LEU A 17 -8.297 5.510 -9.449 1.00 0.32 C ATOM 270 C LEU A 17 -7.605 6.004 -10.718 1.00 0.35 C ATOM 271 O LEU A 17 -8.254 6.242 -11.739 1.00 0.36 O ATOM 272 CB LEU A 17 -8.750 6.658 -8.580 1.00 0.35 C ATOM 273 CG LEU A 17 -9.390 6.173 -7.289 1.00 0.53 C ATOM 274 CD1 LEU A 17 -9.331 7.226 -6.212 1.00 1.35 C ATOM 275 CD2 LEU A 17 -10.811 5.730 -7.552 1.00 1.15 C ATOM 0 H LEU A 17 -7.300 5.025 -7.684 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.153 4.927 -9.790 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -7.897 7.295 -8.346 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.463 7.271 -9.131 1.00 0.35 H new ATOM 0 HG LEU A 17 -8.823 5.317 -6.924 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -9.798 6.844 -5.304 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -8.291 7.479 -6.007 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -9.862 8.118 -6.545 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -11.262 5.384 -6.622 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -11.387 6.568 -7.945 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -10.810 4.918 -8.279 1.00 1.15 H new ATOM 287 N SER A 18 -6.288 6.143 -10.648 1.00 0.41 N ATOM 288 CA SER A 18 -5.479 6.535 -11.784 1.00 0.48 C ATOM 289 C SER A 18 -5.665 5.595 -12.987 1.00 0.51 C ATOM 290 O SER A 18 -5.834 6.056 -14.115 1.00 0.58 O ATOM 291 CB SER A 18 -4.019 6.561 -11.356 1.00 0.57 C ATOM 292 OG SER A 18 -3.788 7.541 -10.356 1.00 0.94 O ATOM 0 H SER A 18 -5.752 5.985 -9.795 1.00 0.41 H new ATOM 0 HA SER A 18 -5.800 7.525 -12.108 1.00 0.48 H new ATOM 0 HB2 SER A 18 -3.732 5.580 -10.978 1.00 0.57 H new ATOM 0 HB3 SER A 18 -3.389 6.767 -12.221 1.00 0.57 H new ATOM 0 HG SER A 18 -4.375 7.371 -9.590 1.00 0.94 H new ATOM 298 N GLN A 19 -5.668 4.280 -12.748 1.00 0.52 N ATOM 299 CA GLN A 19 -5.805 3.302 -13.837 1.00 0.57 C ATOM 300 C GLN A 19 -7.241 3.228 -14.339 1.00 0.51 C ATOM 301 O GLN A 19 -7.563 2.460 -15.246 1.00 0.59 O ATOM 302 CB GLN A 19 -5.352 1.914 -13.390 1.00 0.68 C ATOM 303 CG GLN A 19 -6.065 1.442 -12.150 1.00 0.84 C ATOM 304 CD GLN A 19 -5.771 0.007 -11.785 1.00 0.97 C ATOM 305 OE1 GLN A 19 -4.819 -0.282 -11.062 1.00 1.37 O ATOM 306 NE2 GLN A 19 -6.613 -0.896 -12.253 1.00 1.19 N ATOM 0 H GLN A 19 -5.578 3.868 -11.819 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.165 3.640 -14.652 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -5.525 1.202 -14.197 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.278 1.929 -13.203 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -5.785 2.084 -11.315 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.139 1.557 -12.294 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.389 -0.609 -12.850 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -6.488 -1.881 -12.018 1.00 1.19 H new ATOM 315 N LYS A 20 -8.098 4.028 -13.737 1.00 0.45 N ATOM 316 CA LYS A 20 -9.506 4.062 -14.090 1.00 0.49 C ATOM 317 C LYS A 20 -9.811 5.365 -14.792 1.00 0.48 C ATOM 318 O LYS A 20 -10.696 5.451 -15.642 1.00 0.53 O ATOM 319 CB LYS A 20 -10.353 3.936 -12.827 1.00 0.57 C ATOM 320 CG LYS A 20 -9.750 3.002 -11.806 1.00 0.49 C ATOM 321 CD LYS A 20 -9.668 1.586 -12.328 1.00 1.20 C ATOM 322 CE LYS A 20 -11.031 1.104 -12.799 1.00 1.75 C ATOM 323 NZ LYS A 20 -11.005 -0.309 -13.250 1.00 2.20 N ATOM 0 H LYS A 20 -7.840 4.673 -12.990 1.00 0.45 H new ATOM 0 HA LYS A 20 -9.740 3.231 -14.756 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -10.479 4.922 -12.380 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.347 3.579 -13.096 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -8.752 3.350 -11.538 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.349 3.021 -10.896 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -8.956 1.538 -13.152 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.295 0.926 -11.545 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -11.752 1.211 -11.988 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.375 1.737 -13.617 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -11.956 -0.592 -13.561 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -10.338 -0.409 -14.042 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -10.703 -0.919 -12.464 1.00 2.20 H new ATOM 337 N GLY A 21 -9.053 6.370 -14.413 1.00 0.45 N ATOM 338 CA GLY A 21 -9.193 7.680 -15.001 1.00 0.49 C ATOM 339 C GLY A 21 -9.976 8.600 -14.099 1.00 0.47 C ATOM 340 O GLY A 21 -10.589 9.567 -14.552 1.00 0.53 O ATOM 0 H GLY A 21 -8.330 6.302 -13.696 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -8.207 8.104 -15.190 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -9.695 7.597 -15.965 1.00 0.49 H new ATOM 344 N TYR A 22 -9.963 8.283 -12.815 1.00 0.40 N ATOM 345 CA TYR A 22 -10.679 9.068 -11.828 1.00 0.37 C ATOM 346 C TYR A 22 -9.725 9.724 -10.852 1.00 0.36 C ATOM 347 O TYR A 22 -8.576 9.303 -10.705 1.00 0.38 O ATOM 348 CB TYR A 22 -11.678 8.203 -11.065 1.00 0.34 C ATOM 349 CG TYR A 22 -12.869 7.793 -11.896 1.00 0.38 C ATOM 350 CD1 TYR A 22 -12.818 6.674 -12.717 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.043 8.533 -11.865 1.00 0.50 C ATOM 352 CE1 TYR A 22 -13.905 6.304 -13.482 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.134 8.169 -12.627 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.060 7.055 -13.433 1.00 0.62 C ATOM 355 OH TYR A 22 -16.147 6.691 -14.194 1.00 0.76 O ATOM 0 H TYR A 22 -9.461 7.482 -12.432 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.221 9.847 -12.364 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.171 7.309 -10.703 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.026 8.749 -10.188 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -11.914 6.085 -12.757 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.103 9.408 -11.234 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -13.851 5.431 -14.116 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.041 8.754 -12.592 1.00 0.62 H new ATOM 0 HH TYR A 22 -16.879 7.325 -14.043 1.00 0.76 H new ATOM 365 N SER A 23 -10.215 10.750 -10.186 1.00 0.37 N ATOM 366 CA SER A 23 -9.432 11.474 -9.214 1.00 0.39 C ATOM 367 C SER A 23 -9.818 11.030 -7.816 1.00 0.35 C ATOM 368 O SER A 23 -10.969 10.684 -7.566 1.00 0.34 O ATOM 369 CB SER A 23 -9.697 12.967 -9.366 1.00 0.45 C ATOM 370 OG SER A 23 -8.640 13.744 -8.826 1.00 0.52 O ATOM 0 H SER A 23 -11.165 11.102 -10.305 1.00 0.37 H new ATOM 0 HA SER A 23 -8.373 11.272 -9.376 1.00 0.39 H new ATOM 0 HB2 SER A 23 -9.824 13.209 -10.421 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.630 13.224 -8.865 1.00 0.45 H new ATOM 0 HG SER A 23 -8.927 14.142 -7.978 1.00 0.52 H new ATOM 376 N TRP A 24 -8.863 11.042 -6.909 1.00 0.37 N ATOM 377 CA TRP A 24 -9.155 10.766 -5.518 1.00 0.36 C ATOM 378 C TRP A 24 -9.744 12.010 -4.870 1.00 0.35 C ATOM 379 O TRP A 24 -10.745 11.942 -4.157 1.00 0.34 O ATOM 380 CB TRP A 24 -7.889 10.322 -4.766 1.00 0.45 C ATOM 381 CG TRP A 24 -7.846 10.812 -3.351 1.00 0.43 C ATOM 382 CD1 TRP A 24 -8.492 10.282 -2.273 1.00 0.96 C ATOM 383 CD2 TRP A 24 -7.132 11.957 -2.871 1.00 1.27 C ATOM 384 NE1 TRP A 24 -8.237 11.039 -1.156 1.00 0.61 N ATOM 385 CE2 TRP A 24 -7.401 12.070 -1.497 1.00 1.10 C ATOM 386 CE3 TRP A 24 -6.295 12.899 -3.475 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -6.863 13.088 -0.716 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -5.761 13.908 -2.698 1.00 3.36 C ATOM 389 CH2 TRP A 24 -6.046 13.996 -1.332 1.00 3.13 C ATOM 0 H TRP A 24 -7.882 11.239 -7.109 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.877 9.951 -5.466 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.834 9.233 -4.769 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.010 10.687 -5.298 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -9.112 9.398 -2.295 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -8.610 10.862 -0.223 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -6.070 12.839 -4.530 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -7.083 13.159 0.339 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -5.112 14.642 -3.153 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -5.612 14.797 -0.752 1.00 3.13 H new ATOM 400 N SER A 25 -9.126 13.147 -5.157 1.00 0.39 N ATOM 401 CA SER A 25 -9.463 14.395 -4.499 1.00 0.44 C ATOM 402 C SER A 25 -10.885 14.838 -4.822 1.00 0.43 C ATOM 403 O SER A 25 -11.562 15.426 -3.982 1.00 0.49 O ATOM 404 CB SER A 25 -8.456 15.468 -4.900 1.00 0.53 C ATOM 405 OG SER A 25 -8.204 15.427 -6.294 1.00 1.37 O ATOM 0 H SER A 25 -8.381 13.227 -5.849 1.00 0.39 H new ATOM 0 HA SER A 25 -9.416 14.240 -3.421 1.00 0.44 H new ATOM 0 HB2 SER A 25 -8.836 16.451 -4.624 1.00 0.53 H new ATOM 0 HB3 SER A 25 -7.525 15.321 -4.353 1.00 0.53 H new ATOM 0 HG SER A 25 -7.557 16.124 -6.530 1.00 1.37 H new ATOM 411 N GLN A 26 -11.344 14.531 -6.033 1.00 0.40 N ATOM 412 CA GLN A 26 -12.700 14.880 -6.447 1.00 0.42 C ATOM 413 C GLN A 26 -13.748 14.242 -5.541 1.00 0.38 C ATOM 414 O GLN A 26 -14.877 14.724 -5.435 1.00 0.41 O ATOM 415 CB GLN A 26 -12.946 14.444 -7.885 1.00 0.47 C ATOM 416 CG GLN A 26 -12.227 15.301 -8.901 1.00 0.59 C ATOM 417 CD GLN A 26 -12.653 15.001 -10.321 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.062 13.888 -10.639 1.00 1.11 O ATOM 419 NE2 GLN A 26 -12.554 15.992 -11.186 1.00 1.10 N ATOM 0 H GLN A 26 -10.798 14.043 -6.743 1.00 0.40 H new ATOM 0 HA GLN A 26 -12.792 15.963 -6.370 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.627 13.408 -8.003 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.017 14.473 -8.088 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.416 16.352 -8.683 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.152 15.145 -8.807 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.209 16.902 -10.881 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.822 15.848 -12.159 1.00 1.10 H new ATOM 428 N PHE A 27 -13.370 13.148 -4.902 1.00 0.35 N ATOM 429 CA PHE A 27 -14.287 12.380 -4.086 1.00 0.38 C ATOM 430 C PHE A 27 -13.798 12.303 -2.644 1.00 0.43 C ATOM 431 O PHE A 27 -14.306 11.509 -1.851 1.00 0.67 O ATOM 432 CB PHE A 27 -14.405 10.973 -4.669 1.00 0.43 C ATOM 433 CG PHE A 27 -14.720 10.961 -6.140 1.00 0.67 C ATOM 434 CD1 PHE A 27 -15.811 11.655 -6.639 1.00 0.85 C ATOM 435 CD2 PHE A 27 -13.910 10.269 -7.025 1.00 0.94 C ATOM 436 CE1 PHE A 27 -16.090 11.653 -7.993 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.183 10.265 -8.380 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.275 10.959 -8.864 1.00 1.28 C ATOM 0 H PHE A 27 -12.423 12.771 -4.935 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.261 12.870 -4.087 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.470 10.438 -4.501 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.184 10.430 -4.134 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.450 12.203 -5.963 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.054 9.726 -6.652 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -16.946 12.194 -8.369 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.544 9.720 -9.059 1.00 1.20 H new ATOM 0 HZ PHE A 27 -15.491 10.958 -9.922 1.00 1.28 H new ATOM 448 N SER A 28 -12.825 13.139 -2.303 1.00 0.39 N ATOM 449 CA SER A 28 -12.144 13.025 -1.021 1.00 0.42 C ATOM 450 C SER A 28 -12.637 14.036 0.004 1.00 0.58 C ATOM 451 O SER A 28 -13.553 14.812 -0.250 1.00 1.01 O ATOM 452 CB SER A 28 -10.636 13.166 -1.204 1.00 0.62 C ATOM 453 OG SER A 28 -10.262 14.502 -1.503 1.00 1.81 O ATOM 0 H SER A 28 -12.491 13.900 -2.894 1.00 0.39 H new ATOM 0 HA SER A 28 -12.378 12.034 -0.633 1.00 0.42 H new ATOM 0 HB2 SER A 28 -10.128 12.841 -0.296 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.305 12.508 -2.007 1.00 0.62 H new ATOM 0 HG SER A 28 -10.764 14.815 -2.284 1.00 1.81 H new ATOM 459 N ASP A 29 -12.013 13.977 1.174 1.00 0.63 N ATOM 460 CA ASP A 29 -12.320 14.855 2.296 1.00 0.84 C ATOM 461 C ASP A 29 -11.267 14.672 3.384 1.00 0.88 C ATOM 462 O ASP A 29 -10.953 15.599 4.128 1.00 1.03 O ATOM 463 CB ASP A 29 -13.712 14.545 2.850 1.00 1.04 C ATOM 464 CG ASP A 29 -13.935 15.111 4.243 1.00 1.69 C ATOM 465 OD1 ASP A 29 -13.874 16.349 4.405 1.00 1.85 O ATOM 466 OD2 ASP A 29 -14.169 14.327 5.181 1.00 2.31 O ATOM 0 H ASP A 29 -11.269 13.308 1.373 1.00 0.63 H new ATOM 0 HA ASP A 29 -12.310 15.890 1.954 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -14.465 14.950 2.174 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -13.855 13.465 2.875 1.00 1.04 H new ATOM 471 N VAL A 30 -10.687 13.473 3.393 1.00 0.80 N ATOM 472 CA VAL A 30 -9.747 13.018 4.418 1.00 0.82 C ATOM 473 C VAL A 30 -8.686 14.070 4.771 1.00 0.82 C ATOM 474 O VAL A 30 -8.703 14.636 5.862 1.00 0.92 O ATOM 475 CB VAL A 30 -9.077 11.701 3.950 1.00 0.81 C ATOM 476 CG1 VAL A 30 -10.072 10.557 4.019 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.551 11.825 2.522 1.00 0.76 C ATOM 0 H VAL A 30 -10.861 12.774 2.671 1.00 0.80 H new ATOM 0 HA VAL A 30 -10.316 12.845 5.332 1.00 0.82 H new ATOM 0 HB VAL A 30 -8.237 11.501 4.615 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.591 9.636 3.688 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -10.418 10.437 5.046 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -10.922 10.775 3.373 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -8.087 10.885 2.222 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.377 12.052 1.848 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -7.813 12.626 2.474 1.00 0.76 H new ATOM 487 N GLU A 31 -7.765 14.317 3.857 1.00 0.78 N ATOM 488 CA GLU A 31 -6.752 15.345 4.037 1.00 0.83 C ATOM 489 C GLU A 31 -7.154 16.585 3.254 1.00 0.88 C ATOM 490 O GLU A 31 -6.425 17.574 3.201 1.00 0.98 O ATOM 491 CB GLU A 31 -5.377 14.842 3.582 1.00 0.93 C ATOM 492 CG GLU A 31 -5.368 14.280 2.171 1.00 1.05 C ATOM 493 CD GLU A 31 -3.970 13.987 1.662 1.00 2.05 C ATOM 494 OE1 GLU A 31 -3.408 12.931 2.022 1.00 2.74 O ATOM 495 OE2 GLU A 31 -3.433 14.816 0.896 1.00 2.46 O ATOM 0 H GLU A 31 -7.697 13.814 2.972 1.00 0.78 H new ATOM 0 HA GLU A 31 -6.680 15.593 5.096 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -4.662 15.663 3.641 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -5.035 14.071 4.273 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -5.958 13.364 2.146 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -5.853 14.989 1.500 1.00 1.05 H new ATOM 502 N GLU A 32 -8.324 16.496 2.632 1.00 0.87 N ATOM 503 CA GLU A 32 -8.823 17.542 1.760 1.00 0.98 C ATOM 504 C GLU A 32 -9.172 18.798 2.544 1.00 1.09 C ATOM 505 O GLU A 32 -8.604 19.866 2.317 1.00 1.24 O ATOM 506 CB GLU A 32 -10.053 17.042 1.000 1.00 0.98 C ATOM 507 CG GLU A 32 -10.785 18.139 0.242 1.00 1.12 C ATOM 508 CD GLU A 32 -11.935 17.620 -0.590 1.00 1.20 C ATOM 509 OE1 GLU A 32 -11.690 17.129 -1.714 1.00 1.45 O ATOM 510 OE2 GLU A 32 -13.089 17.687 -0.116 1.00 1.17 O ATOM 0 H GLU A 32 -8.950 15.695 2.721 1.00 0.87 H new ATOM 0 HA GLU A 32 -8.035 17.796 1.051 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -9.746 16.268 0.297 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -10.742 16.577 1.705 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -11.162 18.874 0.953 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -10.079 18.656 -0.408 1.00 1.12 H new ATOM 630 N THR A 41 6.042 13.247 5.366 1.00 1.12 N ATOM 631 CA THR A 41 7.111 13.335 6.347 1.00 0.86 C ATOM 632 C THR A 41 8.040 12.117 6.234 1.00 0.75 C ATOM 633 O THR A 41 9.151 12.217 5.713 1.00 0.85 O ATOM 634 CB THR A 41 6.543 13.464 7.785 1.00 0.80 C ATOM 635 OG1 THR A 41 7.580 13.269 8.757 1.00 0.95 O ATOM 636 CG2 THR A 41 5.398 12.486 8.038 1.00 0.91 C ATOM 0 HA THR A 41 7.691 14.234 6.139 1.00 0.86 H new ATOM 0 HB THR A 41 6.145 14.474 7.883 1.00 0.80 H new ATOM 0 HG1 THR A 41 7.204 13.356 9.658 1.00 0.95 H new ATOM 0 HG21 THR A 41 5.031 12.611 9.057 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.589 12.683 7.334 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.755 11.465 7.904 1.00 0.91 H new ATOM 644 N GLU A 42 7.577 10.975 6.721 1.00 0.69 N ATOM 645 CA GLU A 42 8.218 9.697 6.464 1.00 0.66 C ATOM 646 C GLU A 42 7.550 9.058 5.270 1.00 0.54 C ATOM 647 O GLU A 42 8.150 8.295 4.510 1.00 0.56 O ATOM 648 CB GLU A 42 8.071 8.790 7.682 1.00 0.74 C ATOM 649 CG GLU A 42 6.632 8.404 7.997 1.00 0.65 C ATOM 650 CD GLU A 42 6.395 8.262 9.483 1.00 1.20 C ATOM 651 OE1 GLU A 42 7.069 7.428 10.122 1.00 2.02 O ATOM 652 OE2 GLU A 42 5.569 9.025 10.027 1.00 1.17 O ATOM 0 H GLU A 42 6.744 10.910 7.307 1.00 0.69 H new ATOM 0 HA GLU A 42 9.279 9.846 6.264 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.652 7.883 7.519 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.500 9.291 8.549 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.958 9.159 7.593 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.392 7.464 7.500 1.00 0.65 H new ATOM 659 N SER A 43 6.287 9.414 5.139 1.00 0.48 N ATOM 660 CA SER A 43 5.362 8.797 4.220 1.00 0.43 C ATOM 661 C SER A 43 5.824 8.825 2.786 1.00 0.43 C ATOM 662 O SER A 43 5.594 7.874 2.077 1.00 0.49 O ATOM 663 CB SER A 43 4.036 9.501 4.317 1.00 0.50 C ATOM 664 OG SER A 43 4.075 10.485 5.341 1.00 1.25 O ATOM 0 H SER A 43 5.867 10.164 5.688 1.00 0.48 H new ATOM 0 HA SER A 43 5.286 7.748 4.507 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.794 9.969 3.363 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.247 8.779 4.527 1.00 0.50 H new ATOM 0 HG SER A 43 4.507 11.296 5.000 1.00 1.25 H new ATOM 670 N GLU A 44 6.445 9.913 2.356 1.00 0.46 N ATOM 671 CA GLU A 44 6.814 10.072 0.947 1.00 0.52 C ATOM 672 C GLU A 44 7.510 8.811 0.422 1.00 0.51 C ATOM 673 O GLU A 44 7.043 8.197 -0.525 1.00 0.58 O ATOM 674 CB GLU A 44 7.714 11.298 0.765 1.00 0.61 C ATOM 675 CG GLU A 44 8.124 11.561 -0.677 1.00 0.72 C ATOM 676 CD GLU A 44 6.960 11.966 -1.558 1.00 1.17 C ATOM 677 OE1 GLU A 44 6.406 13.067 -1.352 1.00 1.29 O ATOM 678 OE2 GLU A 44 6.599 11.198 -2.468 1.00 1.91 O ATOM 0 H GLU A 44 6.705 10.697 2.954 1.00 0.46 H new ATOM 0 HA GLU A 44 5.902 10.223 0.369 1.00 0.52 H new ATOM 0 HB2 GLU A 44 7.195 12.176 1.150 1.00 0.61 H new ATOM 0 HB3 GLU A 44 8.612 11.169 1.369 1.00 0.61 H new ATOM 0 HG2 GLU A 44 8.879 12.347 -0.697 1.00 0.72 H new ATOM 0 HG3 GLU A 44 8.588 10.664 -1.087 1.00 0.72 H new ATOM 685 N ALA A 45 8.587 8.399 1.074 1.00 0.48 N ATOM 686 CA ALA A 45 9.301 7.185 0.681 1.00 0.48 C ATOM 687 C ALA A 45 8.434 5.951 0.908 1.00 0.41 C ATOM 688 O ALA A 45 8.416 5.033 0.088 1.00 0.41 O ATOM 689 CB ALA A 45 10.605 7.067 1.453 1.00 0.52 C ATOM 0 H ALA A 45 8.988 8.884 1.877 1.00 0.48 H new ATOM 0 HA ALA A 45 9.530 7.250 -0.383 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.126 6.159 1.150 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.233 7.933 1.242 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.393 7.025 2.521 1.00 0.52 H new ATOM 695 N VAL A 46 7.715 5.951 2.023 1.00 0.37 N ATOM 696 CA VAL A 46 6.805 4.869 2.391 1.00 0.34 C ATOM 697 C VAL A 46 5.763 4.633 1.303 1.00 0.34 C ATOM 698 O VAL A 46 5.673 3.555 0.722 1.00 0.39 O ATOM 699 CB VAL A 46 6.082 5.248 3.692 1.00 0.49 C ATOM 700 CG1 VAL A 46 5.033 4.236 4.074 1.00 1.41 C ATOM 701 CG2 VAL A 46 7.052 5.456 4.833 1.00 1.13 C ATOM 0 H VAL A 46 7.746 6.709 2.705 1.00 0.37 H new ATOM 0 HA VAL A 46 7.387 3.957 2.521 1.00 0.34 H new ATOM 0 HB VAL A 46 5.578 6.194 3.497 1.00 0.49 H new ATOM 0 HG11 VAL A 46 4.548 4.546 5.000 1.00 1.41 H new ATOM 0 HG12 VAL A 46 4.289 4.166 3.281 1.00 1.41 H new ATOM 0 HG13 VAL A 46 5.502 3.263 4.218 1.00 1.41 H new ATOM 0 HG21 VAL A 46 6.501 5.723 5.735 1.00 1.13 H new ATOM 0 HG22 VAL A 46 7.611 4.537 5.008 1.00 1.13 H new ATOM 0 HG23 VAL A 46 7.744 6.259 4.580 1.00 1.13 H new ATOM 711 N LYS A 47 4.997 5.672 1.036 1.00 0.34 N ATOM 712 CA LYS A 47 3.904 5.634 0.086 1.00 0.36 C ATOM 713 C LYS A 47 4.447 5.381 -1.319 1.00 0.39 C ATOM 714 O LYS A 47 3.795 4.747 -2.149 1.00 0.43 O ATOM 715 CB LYS A 47 3.141 6.964 0.155 1.00 0.38 C ATOM 716 CG LYS A 47 3.895 8.126 -0.465 1.00 0.49 C ATOM 717 CD LYS A 47 3.676 9.445 0.254 1.00 0.47 C ATOM 718 CE LYS A 47 2.251 9.619 0.701 1.00 0.47 C ATOM 719 NZ LYS A 47 1.870 11.058 0.812 1.00 0.67 N ATOM 0 H LYS A 47 5.119 6.582 1.481 1.00 0.34 H new ATOM 0 HA LYS A 47 3.219 4.822 0.331 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.183 6.851 -0.352 1.00 0.38 H new ATOM 0 HB3 LYS A 47 2.925 7.196 1.198 1.00 0.38 H new ATOM 0 HG2 LYS A 47 4.961 7.896 -0.469 1.00 0.49 H new ATOM 0 HG3 LYS A 47 3.588 8.234 -1.505 1.00 0.49 H new ATOM 0 HD2 LYS A 47 4.336 9.499 1.120 1.00 0.47 H new ATOM 0 HD3 LYS A 47 3.950 10.267 -0.407 1.00 0.47 H new ATOM 0 HE2 LYS A 47 1.586 9.122 -0.006 1.00 0.47 H new ATOM 0 HE3 LYS A 47 2.112 9.132 1.666 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 0.845 11.158 0.667 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 2.122 11.412 1.757 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 2.377 11.608 0.089 1.00 0.67 H new ATOM 733 N GLN A 48 5.665 5.858 -1.558 1.00 0.40 N ATOM 734 CA GLN A 48 6.334 5.656 -2.833 1.00 0.46 C ATOM 735 C GLN A 48 6.795 4.218 -2.980 1.00 0.45 C ATOM 736 O GLN A 48 6.935 3.714 -4.090 1.00 0.50 O ATOM 737 CB GLN A 48 7.528 6.598 -2.979 1.00 0.52 C ATOM 738 CG GLN A 48 7.152 7.985 -3.455 1.00 0.58 C ATOM 739 CD GLN A 48 6.402 7.975 -4.773 1.00 0.67 C ATOM 740 OE1 GLN A 48 6.674 6.985 -5.610 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 5.583 8.849 -5.038 1.00 0.63 N flip ATOM 0 H GLN A 48 6.209 6.390 -0.879 1.00 0.40 H new ATOM 0 HA GLN A 48 5.614 5.877 -3.621 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.036 6.678 -2.018 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.240 6.163 -3.681 1.00 0.52 H new ATOM 0 HG2 GLN A 48 6.537 8.469 -2.697 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.056 8.584 -3.562 1.00 0.58 H new ATOM 0 HE21 GLN A 48 5.400 9.596 -4.368 1.00 0.63 H new ATOM 0 HE22 GLN A 48 5.085 8.829 -5.928 1.00 0.63 H new ATOM 750 N ALA A 49 7.053 3.568 -1.859 1.00 0.42 N ATOM 751 CA ALA A 49 7.402 2.161 -1.866 1.00 0.41 C ATOM 752 C ALA A 49 6.146 1.320 -2.006 1.00 0.39 C ATOM 753 O ALA A 49 6.150 0.276 -2.652 1.00 0.42 O ATOM 754 CB ALA A 49 8.146 1.786 -0.601 1.00 0.42 C ATOM 0 H ALA A 49 7.027 3.994 -0.932 1.00 0.42 H new ATOM 0 HA ALA A 49 8.057 1.969 -2.715 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.398 0.726 -0.628 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.061 2.375 -0.529 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.516 1.987 0.265 1.00 0.42 H new ATOM 760 N LEU A 50 5.068 1.807 -1.409 1.00 0.38 N ATOM 761 CA LEU A 50 3.792 1.109 -1.408 1.00 0.40 C ATOM 762 C LEU A 50 3.227 0.940 -2.812 1.00 0.41 C ATOM 763 O LEU A 50 2.633 -0.089 -3.114 1.00 0.43 O ATOM 764 CB LEU A 50 2.796 1.849 -0.518 1.00 0.45 C ATOM 765 CG LEU A 50 2.578 1.233 0.862 1.00 0.69 C ATOM 766 CD1 LEU A 50 3.902 0.951 1.547 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.740 2.155 1.721 1.00 1.20 C ATOM 0 H LEU A 50 5.054 2.697 -0.912 1.00 0.38 H new ATOM 0 HA LEU A 50 3.963 0.109 -1.010 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.140 2.876 -0.390 1.00 0.45 H new ATOM 0 HB3 LEU A 50 1.837 1.896 -1.034 1.00 0.45 H new ATOM 0 HG LEU A 50 2.050 0.288 0.730 1.00 0.69 H new ATOM 0 HD11 LEU A 50 3.718 0.513 2.528 1.00 1.33 H new ATOM 0 HD12 LEU A 50 4.484 0.256 0.942 1.00 1.33 H new ATOM 0 HD13 LEU A 50 4.457 1.882 1.664 1.00 1.33 H new ATOM 0 HD21 LEU A 50 1.592 1.704 2.702 1.00 1.20 H new ATOM 0 HD22 LEU A 50 2.251 3.111 1.835 1.00 1.20 H new ATOM 0 HD23 LEU A 50 0.772 2.315 1.246 1.00 1.20 H new ATOM 779 N ARG A 51 3.431 1.926 -3.677 1.00 0.44 N ATOM 780 CA ARG A 51 2.942 1.830 -5.045 1.00 0.50 C ATOM 781 C ARG A 51 3.727 0.770 -5.792 1.00 0.52 C ATOM 782 O ARG A 51 3.190 0.024 -6.611 1.00 0.59 O ATOM 783 CB ARG A 51 3.078 3.168 -5.775 1.00 0.53 C ATOM 784 CG ARG A 51 4.468 3.757 -5.690 1.00 0.52 C ATOM 785 CD ARG A 51 4.645 4.936 -6.624 1.00 0.73 C ATOM 786 NE ARG A 51 4.415 4.579 -8.020 1.00 1.21 N ATOM 787 CZ ARG A 51 3.745 5.340 -8.881 1.00 1.63 C ATOM 788 NH1 ARG A 51 3.159 6.459 -8.472 1.00 1.96 N ATOM 789 NH2 ARG A 51 3.637 4.956 -10.148 1.00 2.17 N ATOM 0 H ARG A 51 3.926 2.791 -3.459 1.00 0.44 H new ATOM 0 HA ARG A 51 1.886 1.560 -5.011 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.813 3.031 -6.823 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.364 3.877 -5.356 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.665 4.074 -4.666 1.00 0.52 H new ATOM 0 HG3 ARG A 51 5.202 2.989 -5.933 1.00 0.52 H new ATOM 0 HD2 ARG A 51 3.956 5.730 -6.337 1.00 0.73 H new ATOM 0 HD3 ARG A 51 5.654 5.334 -6.515 1.00 0.73 H new ATOM 0 HE ARG A 51 4.791 3.692 -8.356 1.00 1.21 H new ATOM 0 HH11 ARG A 51 3.221 6.739 -7.493 1.00 1.96 H new ATOM 0 HH12 ARG A 51 2.647 7.039 -9.137 1.00 1.96 H new ATOM 0 HH21 ARG A 51 4.066 4.083 -10.455 1.00 2.17 H new ATOM 0 HH22 ARG A 51 3.125 5.534 -10.814 1.00 2.17 H new ATOM 803 N GLU A 52 5.005 0.699 -5.474 1.00 0.49 N ATOM 804 CA GLU A 52 5.922 -0.167 -6.174 1.00 0.54 C ATOM 805 C GLU A 52 5.812 -1.596 -5.664 1.00 0.53 C ATOM 806 O GLU A 52 5.899 -2.556 -6.431 1.00 0.58 O ATOM 807 CB GLU A 52 7.321 0.390 -6.032 1.00 0.59 C ATOM 808 CG GLU A 52 7.377 1.816 -6.495 1.00 0.63 C ATOM 809 CD GLU A 52 8.654 2.156 -7.230 1.00 0.87 C ATOM 810 OE1 GLU A 52 9.748 1.919 -6.679 1.00 1.10 O ATOM 811 OE2 GLU A 52 8.570 2.653 -8.372 1.00 1.07 O ATOM 0 H GLU A 52 5.433 1.241 -4.723 1.00 0.49 H new ATOM 0 HA GLU A 52 5.670 -0.201 -7.234 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.638 0.328 -4.991 1.00 0.59 H new ATOM 0 HB3 GLU A 52 8.018 -0.213 -6.613 1.00 0.59 H new ATOM 0 HG2 GLU A 52 6.527 2.012 -7.148 1.00 0.63 H new ATOM 0 HG3 GLU A 52 7.276 2.475 -5.633 1.00 0.63 H new ATOM 818 N ALA A 53 5.607 -1.728 -4.362 1.00 0.49 N ATOM 819 CA ALA A 53 5.302 -3.018 -3.764 1.00 0.48 C ATOM 820 C ALA A 53 3.901 -3.453 -4.171 1.00 0.49 C ATOM 821 O ALA A 53 3.636 -4.636 -4.377 1.00 0.53 O ATOM 822 CB ALA A 53 5.419 -2.944 -2.246 1.00 0.45 C ATOM 0 H ALA A 53 5.647 -0.955 -3.698 1.00 0.49 H new ATOM 0 HA ALA A 53 6.020 -3.755 -4.124 1.00 0.48 H new ATOM 0 HB1 ALA A 53 5.187 -3.918 -1.815 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.435 -2.659 -1.973 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.718 -2.202 -1.863 1.00 0.45 H new ATOM 828 N GLY A 54 3.015 -2.471 -4.298 1.00 0.49 N ATOM 829 CA GLY A 54 1.648 -2.727 -4.699 1.00 0.53 C ATOM 830 C GLY A 54 1.555 -3.312 -6.087 1.00 0.60 C ATOM 831 O GLY A 54 0.917 -4.337 -6.279 1.00 0.70 O ATOM 0 H GLY A 54 3.226 -1.488 -4.127 1.00 0.49 H new ATOM 0 HA2 GLY A 54 1.186 -3.411 -3.988 1.00 0.53 H new ATOM 0 HA3 GLY A 54 1.081 -1.797 -4.661 1.00 0.53 H new ATOM 835 N ASP A 55 2.211 -2.677 -7.052 1.00 0.61 N ATOM 836 CA ASP A 55 2.198 -3.151 -8.438 1.00 0.69 C ATOM 837 C ASP A 55 2.640 -4.605 -8.524 1.00 0.70 C ATOM 838 O ASP A 55 2.127 -5.380 -9.326 1.00 0.79 O ATOM 839 CB ASP A 55 3.127 -2.303 -9.301 1.00 0.73 C ATOM 840 CG ASP A 55 3.059 -2.672 -10.770 1.00 0.85 C ATOM 841 OD1 ASP A 55 2.088 -2.267 -11.445 1.00 1.04 O ATOM 842 OD2 ASP A 55 3.968 -3.378 -11.256 1.00 0.82 O ATOM 0 H ASP A 55 2.761 -1.831 -6.903 1.00 0.61 H new ATOM 0 HA ASP A 55 1.174 -3.066 -8.803 1.00 0.69 H new ATOM 0 HB2 ASP A 55 2.867 -1.251 -9.182 1.00 0.73 H new ATOM 0 HB3 ASP A 55 4.152 -2.420 -8.948 1.00 0.73 H new ATOM 847 N GLU A 56 3.593 -4.959 -7.680 1.00 0.66 N ATOM 848 CA GLU A 56 4.142 -6.292 -7.644 1.00 0.74 C ATOM 849 C GLU A 56 3.190 -7.253 -6.938 1.00 0.77 C ATOM 850 O GLU A 56 3.186 -8.457 -7.192 1.00 0.88 O ATOM 851 CB GLU A 56 5.510 -6.228 -6.968 1.00 0.79 C ATOM 852 CG GLU A 56 5.869 -7.463 -6.190 1.00 1.24 C ATOM 853 CD GLU A 56 7.292 -7.434 -5.681 1.00 1.52 C ATOM 854 OE1 GLU A 56 7.583 -6.662 -4.747 1.00 2.29 O ATOM 855 OE2 GLU A 56 8.132 -8.185 -6.221 1.00 1.43 O ATOM 0 H GLU A 56 4.006 -4.322 -6.999 1.00 0.66 H new ATOM 0 HA GLU A 56 4.267 -6.679 -8.655 1.00 0.74 H new ATOM 0 HB2 GLU A 56 6.272 -6.057 -7.729 1.00 0.79 H new ATOM 0 HB3 GLU A 56 5.532 -5.370 -6.297 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.187 -7.568 -5.346 1.00 1.24 H new ATOM 0 HG3 GLU A 56 5.731 -8.340 -6.823 1.00 1.24 H new ATOM 862 N PHE A 57 2.399 -6.715 -6.038 1.00 0.71 N ATOM 863 CA PHE A 57 1.426 -7.505 -5.303 1.00 0.75 C ATOM 864 C PHE A 57 0.132 -7.703 -6.103 1.00 0.78 C ATOM 865 O PHE A 57 -0.298 -8.837 -6.332 1.00 0.91 O ATOM 866 CB PHE A 57 1.116 -6.840 -3.963 1.00 0.76 C ATOM 867 CG PHE A 57 1.084 -7.808 -2.817 1.00 1.09 C ATOM 868 CD1 PHE A 57 0.465 -9.036 -2.952 1.00 1.71 C ATOM 869 CD2 PHE A 57 1.663 -7.483 -1.601 1.00 1.37 C ATOM 870 CE1 PHE A 57 0.424 -9.923 -1.897 1.00 2.29 C ATOM 871 CE2 PHE A 57 1.626 -8.367 -0.544 1.00 1.79 C ATOM 872 CZ PHE A 57 1.044 -9.603 -0.704 1.00 2.20 C ATOM 0 H PHE A 57 2.408 -5.725 -5.793 1.00 0.71 H new ATOM 0 HA PHE A 57 1.862 -8.489 -5.129 1.00 0.75 H new ATOM 0 HB2 PHE A 57 1.865 -6.074 -3.763 1.00 0.76 H new ATOM 0 HB3 PHE A 57 0.153 -6.334 -4.030 1.00 0.76 H new ATOM 0 HD1 PHE A 57 0.009 -9.304 -3.893 1.00 1.71 H new ATOM 0 HD2 PHE A 57 2.149 -6.526 -1.480 1.00 1.37 H new ATOM 0 HE1 PHE A 57 -0.092 -10.866 -2.003 1.00 2.29 H new ATOM 0 HE2 PHE A 57 2.053 -8.090 0.408 1.00 1.79 H new ATOM 0 HZ PHE A 57 1.071 -10.322 0.101 1.00 2.20 H new ATOM 882 N GLU A 58 -0.456 -6.588 -6.548 1.00 0.73 N ATOM 883 CA GLU A 58 -1.812 -6.570 -7.107 1.00 0.82 C ATOM 884 C GLU A 58 -1.989 -7.537 -8.263 1.00 0.82 C ATOM 885 O GLU A 58 -2.893 -8.370 -8.237 1.00 0.89 O ATOM 886 CB GLU A 58 -2.192 -5.174 -7.591 1.00 0.86 C ATOM 887 CG GLU A 58 -2.015 -4.094 -6.549 1.00 0.91 C ATOM 888 CD GLU A 58 -2.867 -2.880 -6.831 1.00 0.93 C ATOM 889 OE1 GLU A 58 -2.468 -2.060 -7.688 1.00 1.24 O ATOM 890 OE2 GLU A 58 -3.924 -2.722 -6.184 1.00 1.30 O ATOM 0 H GLU A 58 -0.006 -5.673 -6.531 1.00 0.73 H new ATOM 0 HA GLU A 58 -2.465 -6.880 -6.291 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.587 -4.926 -8.463 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -3.232 -5.184 -7.916 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -2.270 -4.494 -5.568 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -0.967 -3.798 -6.510 1.00 0.91 H new ATOM 897 N LEU A 59 -1.129 -7.411 -9.271 1.00 0.81 N ATOM 898 CA LEU A 59 -1.263 -8.164 -10.520 1.00 0.87 C ATOM 899 C LEU A 59 -1.643 -9.628 -10.317 1.00 0.85 C ATOM 900 O LEU A 59 -2.473 -10.163 -11.049 1.00 0.96 O ATOM 901 CB LEU A 59 0.017 -8.079 -11.354 1.00 0.96 C ATOM 902 CG LEU A 59 1.350 -7.960 -10.600 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.515 -9.031 -9.548 1.00 1.54 C ATOM 904 CD2 LEU A 59 2.478 -8.084 -11.577 1.00 1.46 C ATOM 0 H LEU A 59 -0.322 -6.787 -9.248 1.00 0.81 H new ATOM 0 HA LEU A 59 -2.087 -7.691 -11.055 1.00 0.87 H new ATOM 0 HB2 LEU A 59 0.066 -8.966 -11.985 1.00 0.96 H new ATOM 0 HB3 LEU A 59 -0.071 -7.219 -12.018 1.00 0.96 H new ATOM 0 HG LEU A 59 1.356 -6.991 -10.102 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.473 -8.902 -9.045 1.00 1.54 H new ATOM 0 HD12 LEU A 59 0.708 -8.952 -8.819 1.00 1.54 H new ATOM 0 HD13 LEU A 59 1.483 -10.013 -10.020 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.428 -8.000 -11.049 1.00 1.46 H new ATOM 0 HD22 LEU A 59 2.424 -9.052 -12.075 1.00 1.46 H new ATOM 0 HD23 LEU A 59 2.405 -7.290 -12.320 1.00 1.46 H new ATOM 916 N ARG A 60 -1.043 -10.260 -9.326 1.00 0.83 N ATOM 917 CA ARG A 60 -1.261 -11.668 -9.077 1.00 0.90 C ATOM 918 C ARG A 60 -2.737 -11.979 -8.799 1.00 0.98 C ATOM 919 O ARG A 60 -3.361 -12.752 -9.522 1.00 1.15 O ATOM 920 CB ARG A 60 -0.383 -12.147 -7.918 1.00 1.03 C ATOM 921 CG ARG A 60 1.016 -12.550 -8.355 1.00 1.00 C ATOM 922 CD ARG A 60 1.919 -12.855 -7.172 1.00 1.07 C ATOM 923 NE ARG A 60 2.437 -11.639 -6.547 1.00 1.41 N ATOM 924 CZ ARG A 60 3.540 -11.602 -5.797 1.00 1.94 C ATOM 925 NH1 ARG A 60 4.245 -12.709 -5.590 1.00 2.43 N ATOM 926 NH2 ARG A 60 3.950 -10.454 -5.273 1.00 2.58 N ATOM 0 H ARG A 60 -0.396 -9.814 -8.676 1.00 0.83 H new ATOM 0 HA ARG A 60 -0.980 -12.208 -9.981 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -0.310 -11.354 -7.174 1.00 1.03 H new ATOM 0 HB3 ARG A 60 -0.864 -12.996 -7.433 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.955 -13.427 -9.000 1.00 1.00 H new ATOM 0 HG3 ARG A 60 1.455 -11.748 -8.948 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.365 -13.434 -6.433 1.00 1.07 H new ATOM 0 HD3 ARG A 60 2.752 -13.475 -7.503 1.00 1.07 H new ATOM 0 HE ARG A 60 1.926 -10.769 -6.693 1.00 1.41 H new ATOM 0 HH11 ARG A 60 3.944 -13.591 -6.005 1.00 2.43 H new ATOM 0 HH12 ARG A 60 5.088 -12.677 -5.016 1.00 2.43 H new ATOM 0 HH21 ARG A 60 3.422 -9.598 -5.443 1.00 2.58 H new ATOM 0 HH22 ARG A 60 4.793 -10.427 -4.700 1.00 2.58 H new ATOM 940 N TYR A 61 -3.296 -11.367 -7.762 1.00 1.04 N ATOM 941 CA TYR A 61 -4.667 -11.670 -7.351 1.00 1.26 C ATOM 942 C TYR A 61 -5.708 -10.752 -8.007 1.00 1.32 C ATOM 943 O TYR A 61 -6.912 -10.965 -7.846 1.00 1.59 O ATOM 944 CB TYR A 61 -4.805 -11.626 -5.821 1.00 1.52 C ATOM 945 CG TYR A 61 -4.198 -10.404 -5.158 1.00 2.19 C ATOM 946 CD1 TYR A 61 -4.521 -9.121 -5.575 1.00 2.84 C ATOM 947 CD2 TYR A 61 -3.308 -10.543 -4.100 1.00 2.70 C ATOM 948 CE1 TYR A 61 -3.975 -8.012 -4.964 1.00 3.86 C ATOM 949 CE2 TYR A 61 -2.758 -9.437 -3.482 1.00 3.67 C ATOM 950 CZ TYR A 61 -3.094 -8.174 -3.920 1.00 4.23 C ATOM 951 OH TYR A 61 -2.551 -7.068 -3.311 1.00 5.32 O ATOM 0 H TYR A 61 -2.828 -10.663 -7.192 1.00 1.04 H new ATOM 0 HA TYR A 61 -4.872 -12.682 -7.700 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -5.864 -11.672 -5.565 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -4.337 -12.518 -5.403 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -5.213 -8.988 -6.393 1.00 2.84 H new ATOM 0 HD2 TYR A 61 -3.042 -11.531 -3.755 1.00 2.70 H new ATOM 0 HE1 TYR A 61 -4.238 -7.021 -5.303 1.00 3.86 H new ATOM 0 HE2 TYR A 61 -2.068 -9.561 -2.660 1.00 3.67 H new ATOM 0 HH TYR A 61 -2.831 -6.260 -3.790 1.00 5.32 H new ATOM 961 N ARG A 62 -5.258 -9.745 -8.754 1.00 1.28 N ATOM 962 CA ARG A 62 -6.179 -8.765 -9.342 1.00 1.39 C ATOM 963 C ARG A 62 -7.079 -9.404 -10.396 1.00 1.07 C ATOM 964 O ARG A 62 -8.092 -8.824 -10.794 1.00 1.30 O ATOM 965 CB ARG A 62 -5.424 -7.586 -9.964 1.00 1.72 C ATOM 966 CG ARG A 62 -4.713 -7.919 -11.266 1.00 2.15 C ATOM 967 CD ARG A 62 -4.158 -6.669 -11.925 1.00 2.51 C ATOM 968 NE ARG A 62 -3.488 -6.960 -13.190 1.00 3.10 N ATOM 969 CZ ARG A 62 -3.319 -6.064 -14.164 1.00 3.59 C ATOM 970 NH1 ARG A 62 -3.839 -4.849 -14.051 1.00 3.59 N ATOM 971 NH2 ARG A 62 -2.645 -6.387 -15.259 1.00 4.48 N ATOM 0 H ARG A 62 -4.273 -9.584 -8.967 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.800 -8.394 -8.527 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -6.127 -6.773 -10.145 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.691 -7.219 -9.246 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -3.902 -8.621 -11.071 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -5.407 -8.414 -11.946 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -4.969 -5.963 -12.100 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -3.455 -6.185 -11.247 1.00 2.51 H new ATOM 0 HE ARG A 62 -3.128 -7.903 -13.337 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -4.370 -4.597 -13.217 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -3.708 -4.167 -14.798 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -2.253 -7.323 -15.359 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -2.518 -5.699 -16.001 1.00 4.48 H new ATOM 985 N ARG A 63 -6.708 -10.598 -10.838 1.00 0.98 N ATOM 986 CA ARG A 63 -7.484 -11.327 -11.834 1.00 1.19 C ATOM 987 C ARG A 63 -8.832 -11.777 -11.272 1.00 1.20 C ATOM 988 O ARG A 63 -9.729 -12.162 -12.021 1.00 1.45 O ATOM 989 CB ARG A 63 -6.692 -12.531 -12.344 1.00 1.61 C ATOM 990 CG ARG A 63 -5.589 -12.158 -13.322 1.00 2.18 C ATOM 991 CD ARG A 63 -4.767 -13.369 -13.733 1.00 2.52 C ATOM 992 NE ARG A 63 -3.713 -13.676 -12.769 1.00 3.12 N ATOM 993 CZ ARG A 63 -3.630 -14.813 -12.080 1.00 3.84 C ATOM 994 NH1 ARG A 63 -4.576 -15.739 -12.193 1.00 4.07 N ATOM 995 NH2 ARG A 63 -2.597 -15.028 -11.277 1.00 4.72 N ATOM 0 H ARG A 63 -5.870 -11.085 -10.521 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.679 -10.651 -12.667 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -6.253 -13.054 -11.494 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -7.376 -13.228 -12.828 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -6.028 -11.699 -14.208 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -4.936 -11.413 -12.867 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -5.424 -14.233 -13.838 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -4.321 -13.188 -14.711 1.00 2.52 H new ATOM 0 HE ARG A 63 -2.992 -12.972 -12.613 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -5.372 -15.582 -12.810 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -4.506 -16.607 -11.662 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -1.866 -14.323 -11.187 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -2.534 -15.899 -10.749 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.968 -11.752 -9.952 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.236 -12.074 -9.308 1.00 1.09 C ATOM 1011 C ALA A 64 -11.080 -10.823 -9.072 1.00 1.08 C ATOM 1012 O ALA A 64 -12.300 -10.869 -9.188 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.991 -12.785 -7.989 1.00 1.17 C ATOM 0 H ALA A 64 -8.216 -11.512 -9.306 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.788 -12.733 -9.979 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.946 -13.019 -7.519 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -9.440 -13.708 -8.170 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -9.411 -12.139 -7.330 1.00 1.17 H new ATOM 1019 N PHE A 65 -10.407 -9.712 -8.770 1.00 1.14 N ATOM 1020 CA PHE A 65 -11.053 -8.487 -8.265 1.00 1.22 C ATOM 1021 C PHE A 65 -12.342 -8.114 -8.995 1.00 1.19 C ATOM 1022 O PHE A 65 -13.373 -7.888 -8.361 1.00 1.22 O ATOM 1023 CB PHE A 65 -10.087 -7.304 -8.340 1.00 1.47 C ATOM 1024 CG PHE A 65 -9.067 -7.263 -7.237 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -8.986 -8.280 -6.300 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -8.195 -6.191 -7.133 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -8.056 -8.228 -5.283 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -7.263 -6.134 -6.115 1.00 2.59 C ATOM 1029 CZ PHE A 65 -7.195 -7.153 -5.190 1.00 2.81 C ATOM 0 H PHE A 65 -9.395 -9.630 -8.867 1.00 1.14 H new ATOM 0 HA PHE A 65 -11.322 -8.709 -7.232 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -9.567 -7.335 -9.298 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -10.663 -6.379 -8.320 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -9.658 -9.123 -6.367 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -8.245 -5.391 -7.856 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -8.001 -9.028 -4.560 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -6.589 -5.293 -6.044 1.00 2.59 H new ATOM 0 HZ PHE A 65 -6.468 -7.111 -4.392 1.00 2.81 H new ATOM 1039 N SER A 66 -12.292 -8.071 -10.315 1.00 1.20 N ATOM 1040 CA SER A 66 -13.408 -7.557 -11.100 1.00 1.24 C ATOM 1041 C SER A 66 -14.580 -8.533 -11.107 1.00 1.13 C ATOM 1042 O SER A 66 -15.726 -8.151 -11.358 1.00 1.16 O ATOM 1043 CB SER A 66 -12.949 -7.257 -12.511 1.00 1.45 C ATOM 1044 OG SER A 66 -11.812 -6.406 -12.499 1.00 2.19 O ATOM 0 H SER A 66 -11.494 -8.384 -10.868 1.00 1.20 H new ATOM 0 HA SER A 66 -13.757 -6.634 -10.637 1.00 1.24 H new ATOM 0 HB2 SER A 66 -12.708 -8.187 -13.026 1.00 1.45 H new ATOM 0 HB3 SER A 66 -13.757 -6.784 -13.069 1.00 1.45 H new ATOM 0 HG SER A 66 -11.529 -6.225 -13.420 1.00 2.19 H new ATOM 1050 N ASP A 67 -14.286 -9.787 -10.808 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.298 -10.829 -10.734 1.00 1.08 C ATOM 1052 C ASP A 67 -15.851 -10.929 -9.318 1.00 0.97 C ATOM 1053 O ASP A 67 -16.978 -11.378 -9.103 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.693 -12.175 -11.150 1.00 1.18 C ATOM 1055 CG ASP A 67 -14.362 -12.242 -12.627 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -13.279 -11.759 -13.023 1.00 2.72 O ATOM 1057 OD2 ASP A 67 -15.181 -12.779 -13.405 1.00 2.06 O ATOM 0 H ASP A 67 -13.340 -10.112 -10.610 1.00 1.09 H new ATOM 0 HA ASP A 67 -16.112 -10.575 -11.413 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -13.787 -12.355 -10.571 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -15.392 -12.974 -10.903 1.00 1.18 H new ATOM 1062 N LEU A 68 -15.055 -10.485 -8.353 1.00 0.89 N ATOM 1063 CA LEU A 68 -15.385 -10.641 -6.946 1.00 0.85 C ATOM 1064 C LEU A 68 -16.424 -9.639 -6.464 1.00 0.76 C ATOM 1065 O LEU A 68 -16.988 -9.826 -5.398 1.00 0.77 O ATOM 1066 CB LEU A 68 -14.133 -10.506 -6.086 1.00 0.91 C ATOM 1067 CG LEU A 68 -13.000 -11.460 -6.439 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -11.832 -11.264 -5.493 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -13.487 -12.897 -6.418 1.00 1.56 C ATOM 0 H LEU A 68 -14.169 -10.010 -8.524 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.812 -11.639 -6.844 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -13.764 -9.483 -6.167 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -14.409 -10.664 -5.043 1.00 0.91 H new ATOM 0 HG LEU A 68 -12.658 -11.238 -7.450 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -11.030 -11.953 -5.758 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -11.470 -10.239 -5.569 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -12.155 -11.459 -4.471 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -12.663 -13.564 -6.673 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -13.857 -13.141 -5.422 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -14.291 -13.019 -7.144 1.00 1.56 H new ATOM 1081 N THR A 69 -16.661 -8.577 -7.220 1.00 0.70 N ATOM 1082 CA THR A 69 -17.522 -7.487 -6.756 1.00 0.62 C ATOM 1083 C THR A 69 -18.910 -7.976 -6.360 1.00 0.63 C ATOM 1084 O THR A 69 -19.550 -7.396 -5.483 1.00 0.60 O ATOM 1085 CB THR A 69 -17.652 -6.393 -7.818 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.780 -6.994 -9.112 1.00 0.69 O ATOM 1087 CG2 THR A 69 -16.446 -5.476 -7.784 1.00 0.63 C ATOM 0 H THR A 69 -16.274 -8.442 -8.154 1.00 0.70 H new ATOM 0 HA THR A 69 -17.041 -7.074 -5.870 1.00 0.62 H new ATOM 0 HB THR A 69 -18.541 -5.798 -7.608 1.00 0.62 H new ATOM 0 HG1 THR A 69 -17.865 -6.293 -9.791 1.00 0.69 H new ATOM 0 HG21 THR A 69 -16.555 -4.704 -8.546 1.00 0.63 H new ATOM 0 HG22 THR A 69 -16.371 -5.009 -6.802 1.00 0.63 H new ATOM 0 HG23 THR A 69 -15.543 -6.055 -7.980 1.00 0.63 H new ATOM 1095 N SER A 70 -19.357 -9.053 -6.989 1.00 0.72 N ATOM 1096 CA SER A 70 -20.621 -9.673 -6.636 1.00 0.80 C ATOM 1097 C SER A 70 -20.526 -10.284 -5.240 1.00 0.76 C ATOM 1098 O SER A 70 -21.479 -10.252 -4.459 1.00 0.76 O ATOM 1099 CB SER A 70 -20.962 -10.751 -7.660 1.00 0.96 C ATOM 1100 OG SER A 70 -22.286 -11.226 -7.491 1.00 1.34 O ATOM 0 H SER A 70 -18.859 -9.516 -7.749 1.00 0.72 H new ATOM 0 HA SER A 70 -21.408 -8.919 -6.636 1.00 0.80 H new ATOM 0 HB2 SER A 70 -20.844 -10.349 -8.666 1.00 0.96 H new ATOM 0 HB3 SER A 70 -20.261 -11.581 -7.564 1.00 0.96 H new ATOM 0 HG SER A 70 -22.475 -11.914 -8.163 1.00 1.34 H new ATOM 1106 N GLN A 71 -19.355 -10.830 -4.938 1.00 0.77 N ATOM 1107 CA GLN A 71 -19.076 -11.414 -3.635 1.00 0.77 C ATOM 1108 C GLN A 71 -18.928 -10.310 -2.597 1.00 0.67 C ATOM 1109 O GLN A 71 -19.413 -10.430 -1.472 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.789 -12.244 -3.684 1.00 0.81 C ATOM 1111 CG GLN A 71 -17.760 -13.280 -4.792 1.00 0.99 C ATOM 1112 CD GLN A 71 -16.533 -14.167 -4.714 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -15.461 -13.646 -4.137 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -16.550 -15.316 -5.154 1.00 1.42 N flip ATOM 0 H GLN A 71 -18.573 -10.880 -5.590 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.906 -12.065 -3.361 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.940 -11.571 -3.808 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -17.658 -12.748 -2.727 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -18.657 -13.897 -4.734 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -17.782 -12.777 -5.759 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -17.395 -15.682 -5.592 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -15.719 -15.903 -5.081 1.00 1.42 H new ATOM 1123 N LEU A 72 -18.243 -9.234 -2.981 1.00 0.59 N ATOM 1124 CA LEU A 72 -18.085 -8.083 -2.112 1.00 0.55 C ATOM 1125 C LEU A 72 -19.423 -7.405 -1.860 1.00 0.47 C ATOM 1126 O LEU A 72 -19.655 -6.871 -0.785 1.00 0.48 O ATOM 1127 CB LEU A 72 -17.128 -7.059 -2.731 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.630 -7.341 -2.599 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -15.260 -7.640 -1.159 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -15.178 -8.457 -3.523 1.00 1.35 C ATOM 0 H LEU A 72 -17.790 -9.141 -3.890 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.675 -8.444 -1.169 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -17.364 -6.972 -3.792 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -17.331 -6.088 -2.279 1.00 0.59 H new ATOM 0 HG LEU A 72 -15.102 -6.438 -2.906 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -14.190 -7.837 -1.092 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.511 -6.784 -0.533 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -15.812 -8.515 -0.816 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -14.108 -8.624 -3.396 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -15.719 -9.372 -3.280 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -15.382 -8.178 -4.557 1.00 1.35 H new ATOM 1142 N HIS A 73 -20.311 -7.452 -2.847 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.575 -6.721 -2.775 1.00 0.48 C ATOM 1144 C HIS A 73 -21.280 -5.232 -2.733 1.00 0.43 C ATOM 1145 O HIS A 73 -21.913 -4.478 -1.997 1.00 0.52 O ATOM 1146 CB HIS A 73 -22.400 -7.129 -1.547 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.919 -8.530 -1.594 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -22.602 -9.477 -0.646 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -23.752 -9.140 -2.468 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -23.214 -10.609 -0.936 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -23.918 -10.430 -2.036 1.00 2.62 N ATOM 0 H HIS A 73 -20.181 -7.987 -3.706 1.00 0.48 H new ATOM 0 HA HIS A 73 -22.166 -6.964 -3.658 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.785 -7.011 -0.655 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -23.242 -6.445 -1.446 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -24.202 -8.694 -3.343 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -23.149 -11.526 -0.369 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -24.494 -11.138 -2.492 1.00 2.62 H new ATOM 1160 N ILE A 74 -20.300 -4.843 -3.540 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.829 -3.468 -3.629 1.00 0.41 C ATOM 1162 C ILE A 74 -20.988 -2.492 -3.811 1.00 0.49 C ATOM 1163 O ILE A 74 -21.689 -2.504 -4.829 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.821 -3.354 -4.783 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.599 -4.210 -4.461 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.418 -1.913 -5.027 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.814 -3.717 -3.261 1.00 0.39 C ATOM 0 H ILE A 74 -19.804 -5.484 -4.159 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.336 -3.202 -2.694 1.00 0.41 H new ATOM 0 HB ILE A 74 -19.290 -3.715 -5.699 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.921 -5.235 -4.278 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.942 -4.233 -5.330 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.704 -1.869 -5.850 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -19.301 -1.326 -5.281 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.959 -1.506 -4.126 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.960 -4.373 -3.091 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.461 -2.703 -3.449 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.456 -3.721 -2.380 1.00 0.39 H new ATOM 1179 N THR A 75 -21.183 -1.670 -2.797 1.00 0.38 N ATOM 1180 CA THR A 75 -22.363 -0.846 -2.677 1.00 0.40 C ATOM 1181 C THR A 75 -22.045 0.300 -1.686 1.00 0.37 C ATOM 1182 O THR A 75 -20.868 0.505 -1.380 1.00 0.34 O ATOM 1183 CB THR A 75 -23.529 -1.765 -2.193 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.791 -1.334 -2.717 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.599 -1.837 -0.673 1.00 0.46 C ATOM 0 H THR A 75 -20.520 -1.557 -2.030 1.00 0.38 H new ATOM 0 HA THR A 75 -22.663 -0.390 -3.621 1.00 0.40 H new ATOM 0 HB THR A 75 -23.316 -2.763 -2.575 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.499 -1.931 -2.397 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.423 -2.486 -0.377 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.663 -2.239 -0.284 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.761 -0.838 -0.268 1.00 0.46 H new ATOM 1193 N PRO A 76 -23.048 1.104 -1.246 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.983 1.978 -0.068 1.00 0.37 C ATOM 1195 C PRO A 76 -22.044 1.508 1.055 1.00 0.35 C ATOM 1196 O PRO A 76 -21.586 0.370 1.063 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.431 1.961 0.424 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.270 1.595 -0.765 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.333 1.316 -1.910 1.00 0.44 C ATOM 0 HA PRO A 76 -22.576 2.953 -0.335 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.560 1.238 1.230 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.720 2.935 0.820 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.882 0.719 -0.548 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.953 2.406 -1.017 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.642 0.439 -2.479 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.292 2.151 -2.609 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.783 2.436 1.989 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.818 2.278 3.089 1.00 0.37 C ATOM 1209 C GLY A 77 -20.587 0.867 3.618 1.00 0.38 C ATOM 1210 O GLY A 77 -19.494 0.565 4.098 1.00 0.40 O ATOM 0 H GLY A 77 -22.250 3.342 2.000 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.859 2.675 2.756 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -21.149 2.900 3.920 1.00 0.37 H new ATOM 1214 N THR A 78 -21.586 0.003 3.536 1.00 0.40 N ATOM 1215 CA THR A 78 -21.451 -1.365 4.000 1.00 0.42 C ATOM 1216 C THR A 78 -20.492 -2.175 3.125 1.00 0.38 C ATOM 1217 O THR A 78 -20.283 -3.363 3.352 1.00 0.40 O ATOM 1218 CB THR A 78 -22.821 -2.054 4.066 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.510 -1.906 2.818 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.643 -1.445 5.182 1.00 0.56 C ATOM 0 H THR A 78 -22.503 0.228 3.150 1.00 0.40 H new ATOM 0 HA THR A 78 -21.027 -1.323 5.003 1.00 0.42 H new ATOM 0 HB THR A 78 -22.675 -3.116 4.263 1.00 0.49 H new ATOM 0 HG1 THR A 78 -24.382 -2.351 2.871 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.615 -1.936 5.227 1.00 0.56 H new ATOM 0 HG22 THR A 78 -23.124 -1.580 6.131 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.782 -0.381 4.992 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.885 -1.516 2.142 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.812 -2.118 1.368 1.00 0.31 C ATOM 1230 C ALA A 79 -17.552 -2.201 2.221 1.00 0.30 C ATOM 1231 O ALA A 79 -16.596 -2.895 1.883 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.555 -1.328 0.096 1.00 0.32 C ATOM 0 H ALA A 79 -20.121 -0.563 1.865 1.00 0.34 H new ATOM 0 HA ALA A 79 -19.107 -3.126 1.076 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.748 -1.797 -0.467 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -19.460 -1.312 -0.512 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -18.272 -0.307 0.353 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.569 -1.491 3.346 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.499 -1.584 4.330 1.00 0.36 C ATOM 1240 C TYR A 80 -16.639 -2.886 5.100 1.00 0.36 C ATOM 1241 O TYR A 80 -15.695 -3.358 5.718 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.528 -0.381 5.279 1.00 0.44 C ATOM 1243 CG TYR A 80 -15.472 -0.420 6.365 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -14.121 -0.442 6.041 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -15.824 -0.429 7.709 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -13.151 -0.471 7.024 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -14.859 -0.457 8.700 1.00 2.52 C ATOM 1248 CZ TYR A 80 -13.539 -0.507 8.364 1.00 3.12 C ATOM 1249 OH TYR A 80 -12.559 -0.509 9.334 1.00 4.13 O ATOM 0 H TYR A 80 -18.316 -0.843 3.598 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.537 -1.575 3.817 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -16.399 0.531 4.696 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -17.511 -0.325 5.746 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -13.824 -0.436 5.003 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -16.868 -0.414 7.985 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -12.104 -0.466 6.759 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -15.152 -0.439 9.739 1.00 2.52 H new ATOM 0 HH TYR A 80 -12.976 -0.535 10.220 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.830 -3.469 5.036 1.00 0.37 N ATOM 1260 CA GLN A 81 -18.069 -4.791 5.592 1.00 0.41 C ATOM 1261 C GLN A 81 -17.572 -5.846 4.618 1.00 0.41 C ATOM 1262 O GLN A 81 -17.190 -6.955 4.991 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.555 -4.987 5.876 1.00 0.45 C ATOM 1264 CG GLN A 81 -20.052 -4.205 7.078 1.00 0.58 C ATOM 1265 CD GLN A 81 -21.552 -4.302 7.254 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -22.171 -5.304 6.891 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -22.147 -3.261 7.808 1.00 0.79 N ATOM 0 H GLN A 81 -18.648 -3.042 4.602 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.527 -4.888 6.533 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -20.127 -4.689 4.997 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.749 -6.047 6.037 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -19.559 -4.575 7.977 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.769 -3.158 6.968 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.596 -2.451 8.094 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -23.157 -3.267 7.950 1.00 0.79 H new ATOM 1276 N SER A 82 -17.576 -5.465 3.368 1.00 0.39 N ATOM 1277 CA SER A 82 -17.042 -6.283 2.294 1.00 0.41 C ATOM 1278 C SER A 82 -15.523 -6.197 2.279 1.00 0.41 C ATOM 1279 O SER A 82 -14.835 -7.137 1.910 1.00 0.48 O ATOM 1280 CB SER A 82 -17.597 -5.776 0.976 1.00 0.41 C ATOM 1281 OG SER A 82 -18.937 -5.343 1.138 1.00 0.43 O ATOM 0 H SER A 82 -17.952 -4.570 3.056 1.00 0.39 H new ATOM 0 HA SER A 82 -17.331 -7.323 2.445 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.984 -4.953 0.609 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.552 -6.566 0.227 1.00 0.41 H new ATOM 0 HG SER A 82 -19.481 -5.679 0.395 1.00 0.43 H new ATOM 1287 N PHE A 83 -15.010 -5.042 2.651 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.584 -4.865 2.844 1.00 0.37 C ATOM 1289 C PHE A 83 -13.186 -5.411 4.216 1.00 0.38 C ATOM 1290 O PHE A 83 -12.022 -5.701 4.480 1.00 0.39 O ATOM 1291 CB PHE A 83 -13.220 -3.383 2.684 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.792 -3.057 3.021 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.761 -3.492 2.205 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -11.484 -2.317 4.149 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.449 -3.195 2.508 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -10.171 -2.015 4.456 1.00 1.05 C ATOM 1297 CZ PHE A 83 -9.154 -2.456 3.635 1.00 1.18 C ATOM 0 H PHE A 83 -15.565 -4.204 2.827 1.00 0.38 H new ATOM 0 HA PHE A 83 -13.028 -5.422 2.090 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.416 -3.082 1.655 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.876 -2.789 3.320 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -10.987 -4.070 1.321 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -12.277 -1.972 4.796 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.654 -3.540 1.864 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.941 -1.435 5.337 1.00 1.05 H new ATOM 0 HZ PHE A 83 -8.127 -2.223 3.874 1.00 1.18 H new ATOM 1307 N GLU A 84 -14.191 -5.588 5.065 1.00 0.41 N ATOM 1308 CA GLU A 84 -14.003 -5.992 6.452 1.00 0.48 C ATOM 1309 C GLU A 84 -13.498 -7.399 6.542 1.00 0.52 C ATOM 1310 O GLU A 84 -12.473 -7.676 7.145 1.00 0.55 O ATOM 1311 CB GLU A 84 -15.331 -5.970 7.160 1.00 0.55 C ATOM 1312 CG GLU A 84 -15.252 -6.390 8.611 1.00 0.62 C ATOM 1313 CD GLU A 84 -16.584 -6.276 9.316 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -16.965 -5.155 9.706 1.00 0.80 O ATOM 1315 OE2 GLU A 84 -17.263 -7.312 9.477 1.00 0.78 O ATOM 0 H GLU A 84 -15.169 -5.454 4.807 1.00 0.41 H new ATOM 0 HA GLU A 84 -13.286 -5.304 6.900 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.746 -4.964 7.104 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -16.023 -6.630 6.637 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.900 -7.420 8.670 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -14.517 -5.772 9.126 1.00 0.62 H new ATOM 1322 N GLN A 85 -14.290 -8.281 5.965 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.999 -9.694 5.889 1.00 0.65 C ATOM 1324 C GLN A 85 -12.569 -9.926 5.512 1.00 0.64 C ATOM 1325 O GLN A 85 -11.884 -10.814 6.019 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.897 -10.274 4.837 1.00 0.69 C ATOM 1327 CG GLN A 85 -14.909 -9.468 3.585 1.00 0.79 C ATOM 1328 CD GLN A 85 -15.284 -10.278 2.361 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -14.797 -9.871 1.203 1.00 1.44 O flip ATOM 1330 NE2 GLN A 85 -16.019 -11.256 2.453 1.00 1.62 N flip ATOM 0 H GLN A 85 -15.175 -8.026 5.526 1.00 0.57 H new ATOM 0 HA GLN A 85 -14.166 -10.164 6.858 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -14.573 -11.289 4.608 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -15.912 -10.344 5.229 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -15.613 -8.643 3.697 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -13.924 -9.027 3.434 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -16.377 -11.541 3.365 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -16.273 -11.784 1.618 1.00 1.62 H new ATOM 1339 N VAL A 86 -12.148 -9.082 4.623 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.829 -9.146 4.082 1.00 0.62 C ATOM 1341 C VAL A 86 -9.816 -8.566 5.044 1.00 0.55 C ATOM 1342 O VAL A 86 -8.847 -9.210 5.395 1.00 0.59 O ATOM 1343 CB VAL A 86 -10.725 -8.374 2.777 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -9.643 -8.984 1.915 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -12.071 -8.329 2.090 1.00 1.30 C ATOM 0 H VAL A 86 -12.717 -8.322 4.249 1.00 0.58 H new ATOM 0 HA VAL A 86 -10.619 -10.201 3.906 1.00 0.62 H new ATOM 0 HB VAL A 86 -10.440 -7.340 2.972 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -9.568 -8.430 0.979 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -8.689 -8.938 2.441 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -9.890 -10.024 1.703 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -11.984 -7.773 1.156 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -12.406 -9.345 1.878 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -12.795 -7.836 2.739 1.00 1.30 H new ATOM 1355 N VAL A 87 -10.051 -7.336 5.481 1.00 0.51 N ATOM 1356 CA VAL A 87 -9.119 -6.669 6.375 1.00 0.51 C ATOM 1357 C VAL A 87 -8.991 -7.471 7.665 1.00 0.56 C ATOM 1358 O VAL A 87 -8.004 -7.382 8.394 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.566 -5.222 6.677 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.763 -5.178 7.618 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.413 -4.422 7.238 1.00 0.85 C ATOM 0 H VAL A 87 -10.873 -6.785 5.233 1.00 0.51 H new ATOM 0 HA VAL A 87 -8.147 -6.614 5.885 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.882 -4.773 5.736 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -11.043 -4.141 7.803 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.602 -5.705 7.164 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.502 -5.657 8.562 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.743 -3.404 7.446 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -8.063 -4.886 8.160 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.600 -4.398 6.513 1.00 0.85 H new ATOM 1371 N ASN A 88 -10.011 -8.275 7.898 1.00 0.61 N ATOM 1372 CA ASN A 88 -10.046 -9.220 8.989 1.00 0.71 C ATOM 1373 C ASN A 88 -9.082 -10.379 8.751 1.00 0.78 C ATOM 1374 O ASN A 88 -8.354 -10.766 9.661 1.00 0.91 O ATOM 1375 CB ASN A 88 -11.468 -9.731 9.172 1.00 0.73 C ATOM 1376 CG ASN A 88 -12.178 -9.047 10.324 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -12.132 -9.512 11.463 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.838 -7.938 10.042 1.00 0.73 N ATOM 0 H ASN A 88 -10.852 -8.287 7.321 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.726 -8.713 9.899 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -12.031 -9.570 8.253 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -11.446 -10.806 9.348 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -13.332 -7.437 10.780 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.854 -7.583 9.086 1.00 0.73 H new ATOM 1385 N GLU A 89 -9.046 -10.926 7.527 1.00 0.75 N ATOM 1386 CA GLU A 89 -8.112 -12.001 7.232 1.00 0.84 C ATOM 1387 C GLU A 89 -6.720 -11.432 7.141 1.00 0.82 C ATOM 1388 O GLU A 89 -5.744 -12.023 7.613 1.00 0.98 O ATOM 1389 CB GLU A 89 -8.469 -12.775 5.929 1.00 0.87 C ATOM 1390 CG GLU A 89 -8.593 -11.981 4.629 1.00 1.25 C ATOM 1391 CD GLU A 89 -7.278 -11.504 4.041 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -6.209 -11.974 4.492 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -7.314 -10.680 3.111 1.00 2.87 O ATOM 0 H GLU A 89 -9.641 -10.644 6.748 1.00 0.75 H new ATOM 0 HA GLU A 89 -8.173 -12.726 8.044 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -7.710 -13.543 5.779 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -9.415 -13.290 6.096 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -9.101 -12.600 3.890 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -9.229 -11.114 4.810 1.00 1.25 H new ATOM 1400 N LEU A 90 -6.669 -10.245 6.575 1.00 0.69 N ATOM 1401 CA LEU A 90 -5.445 -9.653 6.123 1.00 0.64 C ATOM 1402 C LEU A 90 -4.509 -9.318 7.282 1.00 0.70 C ATOM 1403 O LEU A 90 -3.301 -9.163 7.087 1.00 0.80 O ATOM 1404 CB LEU A 90 -5.818 -8.405 5.346 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.934 -8.038 4.160 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -4.417 -9.243 3.417 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.741 -7.180 3.224 1.00 1.28 C ATOM 0 H LEU A 90 -7.492 -9.663 6.418 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.900 -10.357 5.494 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -6.839 -8.524 4.983 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -5.822 -7.563 6.039 1.00 0.56 H new ATOM 0 HG LEU A 90 -4.061 -7.507 4.540 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -3.794 -8.917 2.584 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.825 -9.861 4.093 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -5.257 -9.824 3.037 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -5.129 -6.904 2.365 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.615 -7.735 2.883 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -6.064 -6.278 3.744 1.00 1.28 H new ATOM 1419 N PHE A 91 -5.060 -9.219 8.493 1.00 0.73 N ATOM 1420 CA PHE A 91 -4.268 -8.776 9.632 1.00 0.82 C ATOM 1421 C PHE A 91 -4.021 -9.904 10.630 1.00 0.91 C ATOM 1422 O PHE A 91 -2.998 -9.932 11.311 1.00 1.06 O ATOM 1423 CB PHE A 91 -4.929 -7.571 10.328 1.00 0.88 C ATOM 1424 CG PHE A 91 -5.880 -7.925 11.441 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -7.150 -8.399 11.152 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -5.508 -7.787 12.766 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -8.029 -8.727 12.165 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -6.382 -8.113 13.783 1.00 1.75 C ATOM 1429 CZ PHE A 91 -7.620 -8.573 13.506 1.00 2.23 C ATOM 0 H PHE A 91 -6.034 -9.436 8.705 1.00 0.73 H new ATOM 0 HA PHE A 91 -3.298 -8.464 9.245 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -4.146 -6.927 10.729 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -5.468 -6.989 9.581 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -7.456 -8.513 10.122 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -4.522 -7.420 13.008 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -9.017 -9.097 11.934 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -6.072 -7.999 14.811 1.00 1.75 H new ATOM 0 HZ PHE A 91 -8.297 -8.823 14.310 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.941 -10.844 10.691 1.00 0.96 N ATOM 1440 CA ARG A 92 -4.919 -11.867 11.726 1.00 1.11 C ATOM 1441 C ARG A 92 -3.812 -12.881 11.485 1.00 0.83 C ATOM 1442 O ARG A 92 -3.139 -13.325 12.414 1.00 0.90 O ATOM 1443 CB ARG A 92 -6.264 -12.575 11.739 1.00 1.53 C ATOM 1444 CG ARG A 92 -6.531 -13.344 10.463 1.00 1.62 C ATOM 1445 CD ARG A 92 -7.993 -13.648 10.278 1.00 2.21 C ATOM 1446 NE ARG A 92 -8.479 -14.656 11.219 1.00 3.27 N ATOM 1447 CZ ARG A 92 -9.595 -15.362 11.048 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -10.364 -15.161 9.983 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -9.941 -16.275 11.945 1.00 5.06 N ATOM 0 H ARG A 92 -5.718 -10.924 10.035 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.727 -11.388 12.686 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.301 -13.260 12.586 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -7.055 -11.840 11.888 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -6.171 -12.767 9.611 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -5.967 -14.276 10.478 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -8.570 -12.732 10.402 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -8.162 -13.995 9.259 1.00 2.21 H new ATOM 0 HE ARG A 92 -7.928 -14.829 12.060 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -10.101 -14.462 9.289 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -11.217 -15.706 9.860 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -9.353 -16.435 12.763 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -10.795 -16.818 11.817 1.00 5.06 H new ATOM 1463 N ASP A 93 -3.628 -13.224 10.227 1.00 0.84 N ATOM 1464 CA ASP A 93 -2.771 -14.334 9.855 1.00 1.10 C ATOM 1465 C ASP A 93 -1.323 -13.933 9.649 1.00 1.31 C ATOM 1466 O ASP A 93 -0.551 -14.725 9.111 1.00 1.88 O ATOM 1467 CB ASP A 93 -3.292 -15.006 8.583 1.00 1.65 C ATOM 1468 CG ASP A 93 -4.254 -16.137 8.875 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -3.782 -17.254 9.177 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -5.483 -15.925 8.799 1.00 3.12 O ATOM 0 H ASP A 93 -4.064 -12.747 9.438 1.00 0.84 H new ATOM 0 HA ASP A 93 -2.799 -15.030 10.693 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -3.790 -14.262 7.961 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -2.449 -15.390 8.008 1.00 1.65 H new ATOM 1475 N GLY A 94 -0.915 -12.742 10.070 1.00 1.11 N ATOM 1476 CA GLY A 94 0.478 -12.421 9.874 1.00 1.69 C ATOM 1477 C GLY A 94 0.751 -11.099 9.189 1.00 1.62 C ATOM 1478 O GLY A 94 1.152 -11.092 8.030 1.00 2.31 O ATOM 0 H GLY A 94 -1.490 -12.029 10.519 1.00 1.11 H new ATOM 0 HA2 GLY A 94 0.972 -12.416 10.846 1.00 1.69 H new ATOM 0 HA3 GLY A 94 0.937 -13.216 9.287 1.00 1.69 H new ATOM 1482 N VAL A 95 0.507 -9.980 9.857 1.00 0.85 N ATOM 1483 CA VAL A 95 0.786 -8.685 9.242 1.00 0.67 C ATOM 1484 C VAL A 95 2.280 -8.432 9.157 1.00 0.62 C ATOM 1485 O VAL A 95 2.958 -8.178 10.151 1.00 0.61 O ATOM 1486 CB VAL A 95 0.123 -7.510 9.993 1.00 0.59 C ATOM 1487 CG1 VAL A 95 0.554 -6.169 9.411 1.00 0.84 C ATOM 1488 CG2 VAL A 95 -1.378 -7.636 9.954 1.00 1.06 C ATOM 0 H VAL A 95 0.126 -9.938 10.802 1.00 0.85 H new ATOM 0 HA VAL A 95 0.358 -8.733 8.241 1.00 0.67 H new ATOM 0 HB VAL A 95 0.453 -7.551 11.031 1.00 0.59 H new ATOM 0 HG11 VAL A 95 0.071 -5.361 9.961 1.00 0.84 H new ATOM 0 HG12 VAL A 95 1.636 -6.067 9.494 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.264 -6.118 8.362 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -1.827 -6.799 10.488 1.00 1.06 H new ATOM 0 HG22 VAL A 95 -1.717 -7.629 8.918 1.00 1.06 H new ATOM 0 HG23 VAL A 95 -1.677 -8.571 10.427 1.00 1.06 H new ATOM 1498 N ASN A 96 2.785 -8.579 7.950 1.00 0.76 N ATOM 1499 CA ASN A 96 4.182 -8.335 7.661 1.00 0.86 C ATOM 1500 C ASN A 96 4.290 -7.097 6.792 1.00 0.72 C ATOM 1501 O ASN A 96 3.297 -6.394 6.581 1.00 0.62 O ATOM 1502 CB ASN A 96 4.811 -9.535 6.935 1.00 1.17 C ATOM 1503 CG ASN A 96 4.281 -10.872 7.418 1.00 1.47 C ATOM 1504 OD1 ASN A 96 3.865 -10.935 8.674 1.00 2.12 O flip ATOM 1505 ND2 ASN A 96 4.243 -11.843 6.662 1.00 1.67 N flip ATOM 0 H ASN A 96 2.237 -8.871 7.141 1.00 0.76 H new ATOM 0 HA ASN A 96 4.719 -8.188 8.598 1.00 0.86 H new ATOM 0 HB2 ASN A 96 4.624 -9.443 5.865 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.892 -9.509 7.073 1.00 1.17 H new ATOM 0 HD21 ASN A 96 4.573 -11.754 5.701 1.00 1.67 H new ATOM 0 HD22 ASN A 96 3.882 -12.736 6.997 1.00 1.67 H new ATOM 1512 N TRP A 97 5.481 -6.852 6.274 1.00 0.77 N ATOM 1513 CA TRP A 97 5.742 -5.700 5.424 1.00 0.72 C ATOM 1514 C TRP A 97 4.797 -5.676 4.218 1.00 0.63 C ATOM 1515 O TRP A 97 4.203 -4.645 3.901 1.00 0.59 O ATOM 1516 CB TRP A 97 7.196 -5.737 4.944 1.00 0.86 C ATOM 1517 CG TRP A 97 8.192 -5.894 6.061 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.817 -4.894 6.749 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.678 -7.124 6.615 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.657 -5.426 7.697 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.590 -6.791 7.636 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.430 -8.474 6.352 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 10.251 -7.757 8.389 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.088 -9.431 7.100 1.00 3.24 C ATOM 1525 CH2 TRP A 97 9.988 -9.069 8.109 1.00 3.34 C ATOM 0 H TRP A 97 6.296 -7.446 6.430 1.00 0.77 H new ATOM 0 HA TRP A 97 5.569 -4.796 6.008 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.317 -6.561 4.241 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.414 -4.818 4.399 1.00 0.86 H new ATOM 0 HD1 TRP A 97 8.672 -3.838 6.574 1.00 0.83 H new ATOM 0 HE1 TRP A 97 10.237 -4.890 8.342 1.00 0.99 H new ATOM 0 HE3 TRP A 97 7.736 -8.764 5.577 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.947 -7.480 9.167 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 8.905 -10.477 6.903 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.484 -9.841 8.678 1.00 3.34 H new ATOM 1536 N GLY A 98 4.647 -6.824 3.565 1.00 0.69 N ATOM 1537 CA GLY A 98 3.848 -6.896 2.355 1.00 0.69 C ATOM 1538 C GLY A 98 2.352 -6.949 2.607 1.00 0.62 C ATOM 1539 O GLY A 98 1.572 -6.463 1.791 1.00 0.61 O ATOM 0 H GLY A 98 5.066 -7.708 3.853 1.00 0.69 H new ATOM 0 HA2 GLY A 98 4.071 -6.030 1.732 1.00 0.69 H new ATOM 0 HA3 GLY A 98 4.143 -7.780 1.789 1.00 0.69 H new ATOM 1543 N ARG A 99 1.945 -7.532 3.730 1.00 0.65 N ATOM 1544 CA ARG A 99 0.520 -7.675 4.051 1.00 0.67 C ATOM 1545 C ARG A 99 -0.195 -6.332 4.031 1.00 0.53 C ATOM 1546 O ARG A 99 -1.305 -6.215 3.520 1.00 0.55 O ATOM 1547 CB ARG A 99 0.339 -8.317 5.421 1.00 0.82 C ATOM 1548 CG ARG A 99 0.380 -9.835 5.407 1.00 1.04 C ATOM 1549 CD ARG A 99 -0.863 -10.409 4.749 1.00 1.50 C ATOM 1550 NE ARG A 99 -0.983 -11.853 4.942 1.00 2.48 N ATOM 1551 CZ ARG A 99 -2.146 -12.499 4.991 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -3.284 -11.834 4.836 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -2.169 -13.807 5.190 1.00 4.24 N ATOM 0 H ARG A 99 2.576 -7.914 4.435 1.00 0.65 H new ATOM 0 HA ARG A 99 0.082 -8.316 3.286 1.00 0.67 H new ATOM 0 HB2 ARG A 99 1.119 -7.950 6.088 1.00 0.82 H new ATOM 0 HB3 ARG A 99 -0.615 -7.994 5.838 1.00 0.82 H new ATOM 0 HG2 ARG A 99 1.268 -10.173 4.872 1.00 1.04 H new ATOM 0 HG3 ARG A 99 0.461 -10.209 6.428 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -1.746 -9.917 5.156 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -0.840 -10.189 3.682 1.00 1.50 H new ATOM 0 HE ARG A 99 -0.126 -12.397 5.045 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -3.268 -10.826 4.679 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -4.174 -12.331 4.874 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -1.295 -14.321 5.306 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -3.060 -14.302 5.227 1.00 4.24 H new ATOM 1567 N ILE A 100 0.451 -5.324 4.591 1.00 0.44 N ATOM 1568 CA ILE A 100 -0.127 -3.996 4.666 1.00 0.36 C ATOM 1569 C ILE A 100 -0.243 -3.379 3.274 1.00 0.33 C ATOM 1570 O ILE A 100 -1.229 -2.714 2.959 1.00 0.34 O ATOM 1571 CB ILE A 100 0.707 -3.102 5.597 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.739 -3.728 6.990 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.136 -1.698 5.653 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.495 -2.918 8.012 1.00 0.34 C ATOM 0 H ILE A 100 1.381 -5.402 5.002 1.00 0.44 H new ATOM 0 HA ILE A 100 -1.132 -4.077 5.081 1.00 0.36 H new ATOM 0 HB ILE A 100 1.723 -3.027 5.209 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.285 -3.867 7.338 1.00 0.33 H new ATOM 0 HG13 ILE A 100 1.190 -4.718 6.921 1.00 0.33 H new ATOM 0 HG21 ILE A 100 0.743 -1.084 6.318 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.140 -1.263 4.653 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.887 -1.736 6.028 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.470 -3.431 8.973 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.530 -2.800 7.690 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.032 -1.936 8.113 1.00 0.34 H new ATOM 1586 N VAL A 101 0.763 -3.623 2.446 1.00 0.33 N ATOM 1587 CA VAL A 101 0.721 -3.245 1.035 1.00 0.35 C ATOM 1588 C VAL A 101 -0.534 -3.819 0.376 1.00 0.37 C ATOM 1589 O VAL A 101 -1.318 -3.095 -0.234 1.00 0.45 O ATOM 1590 CB VAL A 101 1.958 -3.775 0.291 1.00 0.46 C ATOM 1591 CG1 VAL A 101 1.952 -3.340 -1.165 1.00 1.35 C ATOM 1592 CG2 VAL A 101 3.219 -3.317 0.994 1.00 1.32 C ATOM 0 H VAL A 101 1.627 -4.085 2.728 1.00 0.33 H new ATOM 0 HA VAL A 101 0.707 -2.157 0.979 1.00 0.35 H new ATOM 0 HB VAL A 101 1.930 -4.865 0.303 1.00 0.46 H new ATOM 0 HG11 VAL A 101 2.839 -3.730 -1.665 1.00 1.35 H new ATOM 0 HG12 VAL A 101 1.059 -3.726 -1.656 1.00 1.35 H new ATOM 0 HG13 VAL A 101 1.954 -2.251 -1.220 1.00 1.35 H new ATOM 0 HG21 VAL A 101 4.091 -3.696 0.461 1.00 1.32 H new ATOM 0 HG22 VAL A 101 3.250 -2.228 1.012 1.00 1.32 H new ATOM 0 HG23 VAL A 101 3.224 -3.697 2.016 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.702 -5.134 0.510 1.00 0.37 N ATOM 1603 CA ALA A 102 -1.885 -5.831 -0.013 1.00 0.39 C ATOM 1604 C ALA A 102 -3.171 -5.223 0.535 1.00 0.35 C ATOM 1605 O ALA A 102 -4.163 -5.076 -0.181 1.00 0.34 O ATOM 1606 CB ALA A 102 -1.839 -7.309 0.338 1.00 0.44 C ATOM 0 H ALA A 102 -0.032 -5.744 0.978 1.00 0.37 H new ATOM 0 HA ALA A 102 -1.876 -5.717 -1.097 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -2.725 -7.805 -0.059 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -0.946 -7.758 -0.096 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -1.813 -7.425 1.422 1.00 0.44 H new ATOM 1612 N PHE A 103 -3.139 -4.887 1.814 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.257 -4.247 2.483 1.00 0.34 C ATOM 1614 C PHE A 103 -4.617 -2.920 1.807 1.00 0.31 C ATOM 1615 O PHE A 103 -5.794 -2.608 1.623 1.00 0.32 O ATOM 1616 CB PHE A 103 -3.908 -4.065 3.964 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.641 -2.945 4.656 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -5.938 -3.135 5.110 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.044 -1.715 4.853 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -6.622 -2.119 5.746 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -4.726 -0.693 5.490 1.00 1.48 C ATOM 1622 CZ PHE A 103 -5.973 -0.864 5.929 1.00 1.49 C ATOM 0 H PHE A 103 -2.334 -5.051 2.418 1.00 0.35 H new ATOM 0 HA PHE A 103 -5.142 -4.878 2.408 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -4.119 -4.997 4.489 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -2.836 -3.886 4.050 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.419 -4.091 4.964 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.035 -1.549 4.506 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -7.631 -2.273 6.099 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.239 0.260 5.634 1.00 1.48 H new ATOM 0 HZ PHE A 103 -6.490 -0.054 6.422 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.605 -2.155 1.419 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.835 -0.920 0.680 1.00 0.40 C ATOM 1634 C PHE A 104 -4.304 -1.225 -0.735 1.00 0.39 C ATOM 1635 O PHE A 104 -5.104 -0.488 -1.302 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.573 -0.064 0.632 1.00 0.56 C ATOM 1637 CG PHE A 104 -2.181 0.503 1.963 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -3.068 1.274 2.687 1.00 1.79 C ATOM 1639 CD2 PHE A 104 -0.928 0.256 2.491 1.00 1.47 C ATOM 1640 CE1 PHE A 104 -2.713 1.791 3.916 1.00 2.90 C ATOM 1641 CE2 PHE A 104 -0.568 0.770 3.721 1.00 2.61 C ATOM 1642 CZ PHE A 104 -1.452 1.567 4.418 1.00 3.29 C ATOM 0 H PHE A 104 -2.624 -2.365 1.602 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.612 -0.361 1.202 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -1.750 -0.666 0.246 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -2.726 0.755 -0.071 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -4.051 1.475 2.287 1.00 1.79 H new ATOM 0 HD2 PHE A 104 -0.223 -0.345 1.936 1.00 1.47 H new ATOM 0 HE1 PHE A 104 -3.425 2.371 4.484 1.00 2.90 H new ATOM 0 HE2 PHE A 104 0.404 0.548 4.136 1.00 2.61 H new ATOM 0 HZ PHE A 104 -1.155 2.014 5.355 1.00 3.29 H new ATOM 1652 N SER A 105 -3.797 -2.315 -1.295 1.00 0.37 N ATOM 1653 CA SER A 105 -4.184 -2.752 -2.628 1.00 0.44 C ATOM 1654 C SER A 105 -5.685 -3.009 -2.708 1.00 0.40 C ATOM 1655 O SER A 105 -6.386 -2.394 -3.514 1.00 0.45 O ATOM 1656 CB SER A 105 -3.403 -4.013 -3.009 1.00 0.50 C ATOM 1657 OG SER A 105 -3.902 -4.594 -4.200 1.00 1.19 O ATOM 0 H SER A 105 -3.110 -2.917 -0.841 1.00 0.37 H new ATOM 0 HA SER A 105 -3.945 -1.957 -3.334 1.00 0.44 H new ATOM 0 HB2 SER A 105 -2.350 -3.764 -3.138 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.462 -4.738 -2.197 1.00 0.50 H new ATOM 0 HG SER A 105 -4.047 -3.894 -4.870 1.00 1.19 H new ATOM 1663 N PHE A 106 -6.181 -3.899 -1.855 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.594 -4.246 -1.866 1.00 0.37 C ATOM 1665 C PHE A 106 -8.431 -3.061 -1.402 1.00 0.31 C ATOM 1666 O PHE A 106 -9.558 -2.874 -1.848 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.865 -5.458 -0.976 1.00 0.46 C ATOM 1668 CG PHE A 106 -9.204 -6.092 -1.228 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -9.380 -6.984 -2.273 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -10.286 -5.796 -0.416 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -10.609 -7.569 -2.502 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -11.519 -6.378 -0.639 1.00 2.53 C ATOM 1673 CZ PHE A 106 -11.678 -7.262 -1.705 1.00 2.89 C ATOM 0 H PHE A 106 -5.628 -4.390 -1.152 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.873 -4.501 -2.888 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -7.083 -6.200 -1.137 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.806 -5.153 0.069 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -8.546 -7.224 -2.916 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -10.164 -5.101 0.402 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -10.727 -8.272 -3.313 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -12.353 -6.150 0.008 1.00 2.53 H new ATOM 0 HZ PHE A 106 -12.644 -7.704 -1.902 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.866 -2.262 -0.509 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.546 -1.074 -0.044 1.00 0.28 C ATOM 1685 C GLY A 107 -8.688 -0.043 -1.141 1.00 0.24 C ATOM 1686 O GLY A 107 -9.761 0.524 -1.344 1.00 0.27 O ATOM 0 H GLY A 107 -6.946 -2.417 -0.098 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.533 -1.344 0.331 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -7.994 -0.643 0.791 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.601 0.190 -1.859 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.641 1.095 -2.980 1.00 0.22 C ATOM 1692 C GLY A 108 -8.529 0.558 -4.085 1.00 0.22 C ATOM 1693 O GLY A 108 -9.166 1.315 -4.817 1.00 0.23 O ATOM 0 H GLY A 108 -6.690 -0.234 -1.682 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -8.010 2.067 -2.653 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.632 1.249 -3.363 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.566 -0.764 -4.199 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.442 -1.435 -5.145 1.00 0.26 C ATOM 1699 C ALA A 109 -10.895 -1.312 -4.707 1.00 0.27 C ATOM 1700 O ALA A 109 -11.798 -1.266 -5.539 1.00 0.31 O ATOM 1701 CB ALA A 109 -9.055 -2.899 -5.270 1.00 0.29 C ATOM 0 H ALA A 109 -7.992 -1.396 -3.641 1.00 0.24 H new ATOM 0 HA ALA A 109 -9.332 -0.956 -6.118 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.718 -3.391 -5.981 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -8.026 -2.975 -5.621 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -9.143 -3.383 -4.297 1.00 0.29 H new ATOM 1707 N LEU A 110 -11.105 -1.242 -3.396 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.443 -1.096 -2.834 1.00 0.28 C ATOM 1709 C LEU A 110 -12.988 0.254 -3.266 1.00 0.24 C ATOM 1710 O LEU A 110 -14.150 0.391 -3.658 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.379 -1.180 -1.305 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.497 -1.976 -0.619 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.860 -1.355 -0.862 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -13.485 -3.428 -1.077 1.00 1.12 C ATOM 0 H LEU A 110 -10.361 -1.284 -2.700 1.00 0.25 H new ATOM 0 HA LEU A 110 -13.095 -1.894 -3.190 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.423 -1.624 -1.027 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.387 -0.166 -0.906 1.00 0.32 H new ATOM 0 HG LEU A 110 -13.306 -1.946 0.454 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.625 -1.948 -0.360 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.872 -0.339 -0.468 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -15.064 -1.332 -1.933 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -14.286 -3.974 -0.578 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.634 -3.470 -2.156 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -12.526 -3.881 -0.826 1.00 1.12 H new ATOM 1726 N CYS A 111 -12.107 1.242 -3.193 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.371 2.577 -3.695 1.00 0.19 C ATOM 1728 C CYS A 111 -12.837 2.519 -5.143 1.00 0.20 C ATOM 1729 O CYS A 111 -13.914 3.010 -5.478 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.095 3.408 -3.577 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.195 5.055 -4.288 1.00 0.22 S ATOM 0 H CYS A 111 -11.181 1.135 -2.779 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.164 3.039 -3.107 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.834 3.499 -2.523 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.281 2.868 -4.061 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.165 5.753 -3.912 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.038 1.882 -5.991 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.348 1.795 -7.409 1.00 0.22 C ATOM 1739 C VAL A 112 -13.641 1.031 -7.661 1.00 0.22 C ATOM 1740 O VAL A 112 -14.444 1.447 -8.486 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.209 1.148 -8.214 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.636 0.921 -9.648 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -9.975 2.026 -8.180 1.00 0.27 C ATOM 0 H VAL A 112 -11.171 1.419 -5.719 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.473 2.823 -7.750 1.00 0.22 H new ATOM 0 HB VAL A 112 -10.973 0.186 -7.760 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.818 0.462 -10.203 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.503 0.261 -9.669 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -11.895 1.876 -10.106 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.177 1.555 -8.754 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.208 2.999 -8.613 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.650 2.157 -7.148 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.850 -0.080 -6.962 1.00 0.23 N ATOM 1754 CA GLU A 113 -15.088 -0.838 -7.123 1.00 0.28 C ATOM 1755 C GLU A 113 -16.300 0.020 -6.789 1.00 0.23 C ATOM 1756 O GLU A 113 -17.375 -0.161 -7.358 1.00 0.29 O ATOM 1757 CB GLU A 113 -15.082 -2.112 -6.291 1.00 0.40 C ATOM 1758 CG GLU A 113 -14.198 -3.191 -6.889 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.990 -3.018 -8.386 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.963 -3.180 -9.154 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.851 -2.723 -8.803 1.00 2.51 O ATOM 0 H GLU A 113 -13.191 -0.472 -6.289 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.154 -1.131 -8.171 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.738 -1.882 -5.283 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -16.101 -2.489 -6.202 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -13.230 -3.180 -6.388 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -14.644 -4.167 -6.699 1.00 0.53 H new ATOM 1768 N SER A 114 -16.114 0.982 -5.900 1.00 0.18 N ATOM 1769 CA SER A 114 -17.171 1.912 -5.560 1.00 0.19 C ATOM 1770 C SER A 114 -17.363 2.885 -6.713 1.00 0.22 C ATOM 1771 O SER A 114 -18.477 3.203 -7.101 1.00 0.28 O ATOM 1772 CB SER A 114 -16.816 2.656 -4.274 1.00 0.18 C ATOM 1773 OG SER A 114 -16.604 1.745 -3.209 1.00 0.20 O ATOM 0 H SER A 114 -15.238 1.137 -5.401 1.00 0.18 H new ATOM 0 HA SER A 114 -18.103 1.372 -5.392 1.00 0.19 H new ATOM 0 HB2 SER A 114 -15.919 3.255 -4.431 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.619 3.346 -4.014 1.00 0.18 H new ATOM 0 HG SER A 114 -15.752 1.279 -3.342 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.253 3.285 -7.301 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.247 4.219 -8.414 1.00 0.27 C ATOM 1781 C VAL A 115 -16.884 3.567 -9.620 1.00 0.28 C ATOM 1782 O VAL A 115 -17.626 4.188 -10.381 1.00 0.31 O ATOM 1783 CB VAL A 115 -14.802 4.604 -8.758 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -14.740 5.561 -9.928 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.124 5.191 -7.545 1.00 1.10 C ATOM 0 H VAL A 115 -15.324 2.971 -7.020 1.00 0.21 H new ATOM 0 HA VAL A 115 -16.807 5.112 -8.136 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.272 3.699 -9.057 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -13.700 5.809 -10.140 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.188 5.093 -10.805 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.288 6.471 -9.683 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.099 5.462 -7.797 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.665 6.080 -7.220 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.118 4.456 -6.740 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.583 2.295 -9.744 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.055 1.455 -10.821 1.00 0.34 C ATOM 1797 C ASP A 116 -18.570 1.525 -10.955 1.00 0.35 C ATOM 1798 O ASP A 116 -19.099 1.759 -12.040 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.627 0.029 -10.511 1.00 0.37 C ATOM 1800 CG ASP A 116 -16.824 -0.917 -11.679 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -17.937 -1.457 -11.835 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -15.858 -1.141 -12.438 1.00 0.60 O ATOM 0 H ASP A 116 -15.986 1.802 -9.080 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.631 1.795 -11.765 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.576 0.026 -10.222 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.194 -0.337 -9.655 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.265 1.336 -9.840 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.722 1.351 -9.834 1.00 0.35 C ATOM 1809 C LYS A 117 -21.239 2.774 -9.628 1.00 0.34 C ATOM 1810 O LYS A 117 -22.406 2.975 -9.288 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.273 0.436 -8.731 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.301 -0.641 -8.258 1.00 0.36 C ATOM 1813 CD LYS A 117 -19.869 -1.566 -9.380 1.00 0.45 C ATOM 1814 CE LYS A 117 -18.805 -2.546 -8.906 1.00 0.61 C ATOM 1815 NZ LYS A 117 -18.288 -3.380 -10.021 1.00 1.62 N ATOM 0 H LYS A 117 -18.842 1.170 -8.927 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.066 0.981 -10.800 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.559 1.050 -7.877 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.180 -0.046 -9.096 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.421 -0.166 -7.823 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.770 -1.228 -7.468 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -20.732 -2.116 -9.755 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.481 -0.977 -10.211 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -17.981 -1.996 -8.451 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -19.223 -3.191 -8.133 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -17.257 -3.483 -9.928 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -18.734 -4.319 -9.988 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.510 -2.923 -10.928 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.351 3.752 -9.828 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.692 5.169 -9.709 1.00 0.33 C ATOM 1831 C GLU A 118 -21.097 5.508 -8.280 1.00 0.31 C ATOM 1832 O GLU A 118 -22.120 6.147 -8.029 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.790 5.544 -10.706 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.363 5.356 -12.151 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.461 5.683 -13.134 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -22.796 6.874 -13.284 1.00 1.07 O ATOM 1837 OE2 GLU A 118 -23.011 4.746 -13.749 1.00 1.88 O ATOM 0 H GLU A 118 -19.377 3.582 -10.077 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.808 5.760 -9.950 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.674 4.937 -10.511 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -22.077 6.584 -10.549 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.499 5.989 -12.355 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.044 4.324 -12.299 1.00 0.49 H new ATOM 1844 N MET A 119 -20.259 5.077 -7.353 1.00 0.26 N ATOM 1845 CA MET A 119 -20.471 5.292 -5.930 1.00 0.26 C ATOM 1846 C MET A 119 -19.188 5.849 -5.338 1.00 0.25 C ATOM 1847 O MET A 119 -18.727 5.421 -4.283 1.00 0.23 O ATOM 1848 CB MET A 119 -20.828 3.970 -5.244 1.00 0.25 C ATOM 1849 CG MET A 119 -21.995 3.237 -5.877 1.00 0.28 C ATOM 1850 SD MET A 119 -22.210 1.586 -5.189 1.00 0.31 S ATOM 1851 CE MET A 119 -20.533 0.966 -5.325 1.00 0.29 C ATOM 0 H MET A 119 -19.404 4.563 -7.568 1.00 0.26 H new ATOM 0 HA MET A 119 -21.293 5.991 -5.777 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.954 3.319 -5.258 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.062 4.168 -4.198 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.908 3.813 -5.728 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.836 3.163 -6.953 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.554 -0.117 -5.446 1.00 0.29 H new ATOM 0 HE2 MET A 119 -20.047 1.419 -6.189 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.977 1.219 -4.422 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.611 6.808 -6.042 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.315 7.367 -5.702 1.00 0.31 C ATOM 1863 C GLN A 120 -17.302 8.058 -4.332 1.00 0.32 C ATOM 1864 O GLN A 120 -16.255 8.471 -3.853 1.00 0.33 O ATOM 1865 CB GLN A 120 -16.898 8.334 -6.797 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.150 7.788 -8.193 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.311 8.464 -8.891 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -18.925 7.767 -9.831 1.00 1.15 O flip ATOM 1869 NE2 GLN A 120 -18.632 9.616 -8.612 1.00 0.55 N flip ATOM 0 H GLN A 120 -19.033 7.224 -6.872 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.602 6.546 -5.629 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -17.442 9.271 -6.675 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -15.838 8.564 -6.688 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.249 7.913 -8.794 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.345 6.717 -8.129 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -18.133 10.121 -7.880 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -19.397 10.068 -9.113 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.460 8.189 -3.709 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.539 8.762 -2.370 1.00 0.35 C ATOM 1880 C VAL A 121 -17.851 7.868 -1.333 1.00 0.31 C ATOM 1881 O VAL A 121 -17.447 8.335 -0.268 1.00 0.36 O ATOM 1882 CB VAL A 121 -19.999 8.998 -1.945 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.639 10.070 -2.812 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.784 7.700 -2.025 1.00 0.38 C ATOM 0 H VAL A 121 -19.358 7.909 -4.104 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.020 9.720 -2.411 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.012 9.346 -0.912 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.671 10.224 -2.498 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.085 11.002 -2.706 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.621 9.753 -3.855 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.816 7.879 -1.722 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.766 7.327 -3.049 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.334 6.961 -1.362 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.704 6.583 -1.655 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.033 5.641 -0.762 1.00 0.21 C ATOM 1896 C LEU A 122 -15.537 5.851 -0.807 1.00 0.19 C ATOM 1897 O LEU A 122 -14.838 5.523 0.142 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.335 4.182 -1.132 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.734 3.662 -0.787 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -19.087 3.993 0.653 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.770 4.216 -1.747 1.00 0.22 C ATOM 0 H LEU A 122 -18.040 6.172 -2.526 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.413 5.831 0.242 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.183 4.064 -2.205 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.603 3.546 -0.634 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.732 2.577 -0.893 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -20.084 3.616 0.879 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.363 3.528 1.321 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -19.068 5.074 0.793 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.755 3.832 -1.481 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.777 5.304 -1.687 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.524 3.910 -2.764 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.065 6.393 -1.921 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.646 6.667 -2.121 1.00 0.20 C ATOM 1915 C VAL A 123 -13.003 7.297 -0.885 1.00 0.22 C ATOM 1916 O VAL A 123 -12.007 6.789 -0.366 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.464 7.583 -3.345 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.045 8.127 -3.436 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -13.843 6.818 -4.605 1.00 0.23 C ATOM 0 H VAL A 123 -15.653 6.656 -2.712 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.142 5.716 -2.296 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.122 8.445 -3.237 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -11.957 8.769 -4.313 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -11.818 8.704 -2.540 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.342 7.298 -3.521 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -13.716 7.463 -5.474 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.202 5.942 -4.706 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -14.883 6.500 -4.538 1.00 0.23 H new ATOM 1929 N SER A 124 -13.583 8.383 -0.402 1.00 0.24 N ATOM 1930 CA SER A 124 -13.041 9.062 0.764 1.00 0.28 C ATOM 1931 C SER A 124 -13.288 8.242 2.031 1.00 0.27 C ATOM 1932 O SER A 124 -12.431 8.178 2.914 1.00 0.33 O ATOM 1933 CB SER A 124 -13.661 10.450 0.907 1.00 0.36 C ATOM 1934 OG SER A 124 -12.974 11.219 1.880 1.00 1.35 O ATOM 0 H SER A 124 -14.422 8.811 -0.795 1.00 0.24 H new ATOM 0 HA SER A 124 -11.965 9.170 0.626 1.00 0.28 H new ATOM 0 HB2 SER A 124 -13.633 10.965 -0.053 1.00 0.36 H new ATOM 0 HB3 SER A 124 -14.710 10.356 1.188 1.00 0.36 H new ATOM 0 HG SER A 124 -13.475 11.204 2.722 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.457 7.605 2.104 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.830 6.814 3.271 1.00 0.23 C ATOM 1942 C ARG A 125 -13.850 5.677 3.477 1.00 0.21 C ATOM 1943 O ARG A 125 -13.243 5.554 4.535 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.238 6.240 3.115 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.296 7.294 2.884 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.700 6.722 2.947 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.008 6.045 4.201 1.00 1.44 N ATOM 1948 CZ ARG A 125 -20.214 5.549 4.484 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.196 5.645 3.598 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -20.451 4.966 5.651 1.00 2.67 N ATOM 0 H ARG A 125 -15.161 7.623 1.366 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.809 7.474 4.138 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.246 5.539 2.280 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.492 5.672 4.010 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.192 8.080 3.632 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.138 7.757 1.910 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -19.417 7.529 2.796 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.832 6.019 2.124 1.00 0.55 H new ATOM 0 HE ARG A 125 -18.267 5.946 4.895 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -21.030 6.098 2.699 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.118 5.266 3.815 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -19.707 4.893 6.345 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -21.377 4.591 5.855 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.698 4.856 2.453 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.794 3.723 2.501 1.00 0.19 C ATOM 1966 C ILE A 126 -11.410 4.171 2.939 1.00 0.20 C ATOM 1967 O ILE A 126 -10.848 3.617 3.876 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.715 3.028 1.129 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.122 2.604 0.698 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.785 1.827 1.193 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.212 2.140 -0.733 1.00 0.18 C ATOM 0 H ILE A 126 -14.196 4.956 1.569 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.181 3.009 3.228 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.310 3.723 0.393 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.464 1.802 1.351 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.803 3.443 0.840 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.741 1.348 0.215 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.786 2.155 1.481 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -12.160 1.115 1.929 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.240 1.858 -0.960 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.902 2.947 -1.397 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.559 1.280 -0.878 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.888 5.201 2.286 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.576 5.735 2.629 1.00 0.24 C ATOM 1985 C ALA A 127 -9.514 6.162 4.097 1.00 0.24 C ATOM 1986 O ALA A 127 -8.483 6.010 4.757 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.227 6.905 1.725 1.00 0.27 C ATOM 0 H ALA A 127 -11.352 5.683 1.516 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.844 4.941 2.479 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.244 7.292 1.994 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.214 6.572 0.687 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -9.972 7.692 1.844 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.619 6.697 4.600 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.725 7.071 6.005 1.00 0.22 C ATOM 1995 C ALA A 128 -10.608 5.847 6.892 1.00 0.23 C ATOM 1996 O ALA A 128 -9.721 5.755 7.743 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.051 7.760 6.272 1.00 0.23 C ATOM 0 H ALA A 128 -11.459 6.883 4.052 1.00 0.21 H new ATOM 0 HA ALA A 128 -9.910 7.758 6.233 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.114 8.033 7.326 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.124 8.659 5.660 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.869 7.084 6.023 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.501 4.906 6.654 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.617 3.716 7.472 1.00 0.35 C ATOM 2005 C TRP A 129 -10.376 2.823 7.332 1.00 0.25 C ATOM 2006 O TRP A 129 -10.032 2.080 8.251 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.895 2.967 7.081 1.00 0.56 C ATOM 2008 CG TRP A 129 -14.149 3.784 7.254 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.997 4.209 6.268 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -14.696 4.274 8.483 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -16.020 4.957 6.802 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -15.862 5.001 8.166 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -14.312 4.171 9.822 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -16.640 5.620 9.142 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -15.087 4.784 10.787 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -16.240 5.499 10.443 1.00 3.91 C ATOM 0 H TRP A 129 -12.169 4.946 5.884 1.00 0.25 H new ATOM 0 HA TRP A 129 -11.679 4.003 8.522 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.817 2.651 6.041 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -12.975 2.062 7.683 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.879 3.988 5.217 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -16.770 5.404 6.274 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -13.424 3.621 10.098 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -17.528 6.176 8.880 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -14.798 4.710 11.825 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -16.826 5.965 11.222 1.00 3.91 H new ATOM 2027 N MET A 130 -9.703 2.913 6.186 1.00 0.24 N ATOM 2028 CA MET A 130 -8.452 2.185 5.960 1.00 0.26 C ATOM 2029 C MET A 130 -7.335 2.745 6.820 1.00 0.25 C ATOM 2030 O MET A 130 -6.677 2.015 7.562 1.00 0.29 O ATOM 2031 CB MET A 130 -8.036 2.268 4.496 1.00 0.31 C ATOM 2032 CG MET A 130 -8.878 1.414 3.577 1.00 0.29 C ATOM 2033 SD MET A 130 -8.486 1.685 1.843 1.00 1.08 S ATOM 2034 CE MET A 130 -6.785 1.143 1.808 1.00 0.31 C ATOM 0 H MET A 130 -10.003 3.484 5.396 1.00 0.24 H new ATOM 0 HA MET A 130 -8.628 1.144 6.231 1.00 0.26 H new ATOM 0 HB2 MET A 130 -8.095 3.306 4.169 1.00 0.31 H new ATOM 0 HB3 MET A 130 -6.993 1.964 4.406 1.00 0.31 H new ATOM 0 HG2 MET A 130 -8.726 0.363 3.821 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.932 1.632 3.747 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.440 1.095 0.775 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.167 1.847 2.365 1.00 0.31 H new ATOM 0 HE3 MET A 130 -6.708 0.155 2.262 1.00 0.31 H new ATOM 2044 N ALA A 131 -7.121 4.051 6.711 1.00 0.24 N ATOM 2045 CA ALA A 131 -6.058 4.713 7.449 1.00 0.24 C ATOM 2046 C ALA A 131 -6.238 4.533 8.943 1.00 0.24 C ATOM 2047 O ALA A 131 -5.267 4.336 9.668 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.990 6.188 7.094 1.00 0.25 C ATOM 0 H ALA A 131 -7.672 4.671 6.117 1.00 0.24 H new ATOM 0 HA ALA A 131 -5.115 4.248 7.163 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -5.187 6.662 7.659 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.796 6.297 6.027 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.938 6.666 7.341 1.00 0.25 H new ATOM 2054 N THR A 132 -7.478 4.600 9.407 1.00 0.26 N ATOM 2055 CA THR A 132 -7.758 4.373 10.814 1.00 0.29 C ATOM 2056 C THR A 132 -7.400 2.947 11.220 1.00 0.30 C ATOM 2057 O THR A 132 -6.753 2.736 12.245 1.00 0.32 O ATOM 2058 CB THR A 132 -9.230 4.624 11.154 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.588 5.966 10.810 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.465 4.382 12.635 1.00 0.40 C ATOM 0 H THR A 132 -8.297 4.808 8.835 1.00 0.26 H new ATOM 0 HA THR A 132 -7.143 5.082 11.368 1.00 0.29 H new ATOM 0 HB THR A 132 -9.852 3.937 10.581 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.681 6.041 9.837 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.514 4.562 12.871 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.210 3.351 12.880 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.840 5.059 13.218 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.829 1.974 10.423 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.523 0.575 10.695 1.00 0.32 C ATOM 2070 C TYR A 133 -6.015 0.389 10.815 1.00 0.32 C ATOM 2071 O TYR A 133 -5.532 -0.360 11.660 1.00 0.37 O ATOM 2072 CB TYR A 133 -8.086 -0.325 9.595 1.00 0.33 C ATOM 2073 CG TYR A 133 -8.282 -1.758 10.034 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -7.223 -2.657 10.000 1.00 1.72 C ATOM 2075 CD2 TYR A 133 -9.518 -2.216 10.476 1.00 1.29 C ATOM 2076 CE1 TYR A 133 -7.389 -3.968 10.391 1.00 2.40 C ATOM 2077 CE2 TYR A 133 -9.691 -3.529 10.871 1.00 1.93 C ATOM 2078 CZ TYR A 133 -8.665 -4.383 10.859 1.00 2.40 C ATOM 2079 OH TYR A 133 -8.788 -5.705 11.220 1.00 3.13 O ATOM 0 H TYR A 133 -8.389 2.129 9.585 1.00 0.30 H new ATOM 0 HA TYR A 133 -7.991 0.291 11.637 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -9.041 0.078 9.259 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.412 -0.304 8.738 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -6.253 -2.323 9.661 1.00 1.72 H new ATOM 0 HD2 TYR A 133 -10.356 -1.535 10.511 1.00 1.29 H new ATOM 0 HE1 TYR A 133 -6.566 -4.666 10.343 1.00 2.40 H new ATOM 0 HE2 TYR A 133 -10.665 -3.867 11.192 1.00 1.93 H new ATOM 0 HH TYR A 133 -7.968 -6.187 10.983 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.279 1.083 9.962 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.833 1.160 10.082 1.00 0.30 C ATOM 2091 C LEU A 134 -3.456 1.773 11.430 1.00 0.32 C ATOM 2092 O LEU A 134 -2.794 1.139 12.252 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.279 1.982 8.900 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.855 2.539 9.010 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -0.944 1.665 9.815 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -1.242 2.743 7.642 1.00 0.88 C ATOM 0 H LEU A 134 -5.663 1.604 9.174 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.393 0.164 10.044 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.324 1.356 8.009 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.953 2.822 8.733 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.955 3.494 9.526 1.00 0.48 H new ATOM 0 HD11 LEU A 134 0.049 2.114 9.856 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.338 1.563 10.826 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -0.879 0.681 9.350 1.00 0.95 H new ATOM 0 HD21 LEU A 134 -0.232 3.139 7.751 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -1.203 1.790 7.115 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -1.848 3.448 7.073 1.00 0.88 H new ATOM 2108 N ASN A 135 -3.898 2.994 11.629 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.634 3.757 12.855 1.00 0.35 C ATOM 2110 C ASN A 135 -3.860 2.943 14.135 1.00 0.38 C ATOM 2111 O ASN A 135 -3.056 3.010 15.064 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.513 5.012 12.888 1.00 0.36 C ATOM 2113 CG ASN A 135 -3.873 6.217 12.227 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.198 7.009 12.873 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.084 6.367 10.931 1.00 0.34 N ATOM 0 H ASN A 135 -4.458 3.502 10.944 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.579 4.028 12.830 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.460 4.796 12.393 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -4.744 5.257 13.925 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.679 7.162 10.437 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.652 5.687 10.425 1.00 0.34 H new ATOM 2122 N ASP A 136 -4.953 2.194 14.202 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.259 1.417 15.403 1.00 0.42 C ATOM 2124 C ASP A 136 -4.580 0.048 15.389 1.00 0.40 C ATOM 2125 O ASP A 136 -3.884 -0.323 16.332 1.00 0.43 O ATOM 2126 CB ASP A 136 -6.771 1.235 15.554 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.137 0.339 16.726 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.250 0.851 17.861 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -7.317 -0.879 16.517 1.00 0.58 O ATOM 0 H ASP A 136 -5.637 2.106 13.450 1.00 0.38 H new ATOM 0 HA ASP A 136 -4.871 1.979 16.253 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.239 2.210 15.687 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.176 0.809 14.636 1.00 0.45 H new ATOM 2134 N HIS A 137 -4.770 -0.684 14.306 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.391 -2.095 14.244 1.00 0.38 C ATOM 2136 C HIS A 137 -2.960 -2.304 13.761 1.00 0.35 C ATOM 2137 O HIS A 137 -2.183 -3.036 14.373 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.349 -2.821 13.303 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.548 -3.409 13.983 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.759 -2.757 14.072 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -6.728 -4.608 14.587 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.628 -3.526 14.697 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -8.030 -4.654 15.019 1.00 1.34 N ATOM 0 H HIS A 137 -5.188 -0.326 13.447 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.450 -2.495 15.256 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.686 -2.124 12.536 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.807 -3.618 12.794 1.00 0.40 H new ATOM 0 HD2 HIS A 137 -5.986 -5.383 14.706 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -9.656 -3.274 14.909 1.00 1.13 H new ATOM 0 HE2 HIS A 137 -8.464 -5.436 15.510 1.00 1.34 H new ATOM 2152 N LEU A 138 -2.628 -1.666 12.659 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.389 -1.920 11.953 1.00 0.29 C ATOM 2154 C LEU A 138 -0.189 -1.290 12.621 1.00 0.27 C ATOM 2155 O LEU A 138 0.863 -1.907 12.724 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.519 -1.333 10.575 1.00 0.30 C ATOM 2157 CG LEU A 138 -1.820 -2.294 9.456 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.506 -3.557 9.956 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.676 -1.592 8.428 1.00 1.20 C ATOM 0 H LEU A 138 -3.213 -0.952 12.225 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.227 -2.998 11.939 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.307 -0.581 10.599 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.590 -0.814 10.337 1.00 0.30 H new ATOM 0 HG LEU A 138 -0.879 -2.608 9.005 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.704 -4.221 9.115 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -1.859 -4.063 10.673 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.447 -3.293 10.439 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.901 -2.278 7.612 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.606 -1.263 8.892 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -2.140 -0.727 8.037 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.361 -0.047 13.022 1.00 0.30 N ATOM 2172 CA GLU A 139 0.730 0.786 13.524 1.00 0.31 C ATOM 2173 C GLU A 139 1.687 0.031 14.472 1.00 0.30 C ATOM 2174 O GLU A 139 2.894 0.020 14.226 1.00 0.30 O ATOM 2175 CB GLU A 139 0.172 2.030 14.207 1.00 0.38 C ATOM 2176 CG GLU A 139 1.120 3.209 14.161 1.00 0.40 C ATOM 2177 CD GLU A 139 0.562 4.423 14.861 1.00 0.49 C ATOM 2178 OE1 GLU A 139 -0.555 4.845 14.519 1.00 0.75 O ATOM 2179 OE2 GLU A 139 1.249 4.972 15.750 1.00 0.61 O ATOM 0 H GLU A 139 -1.266 0.424 13.011 1.00 0.30 H new ATOM 0 HA GLU A 139 1.324 1.079 12.658 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.768 2.308 13.730 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.056 1.795 15.247 1.00 0.38 H new ATOM 0 HG2 GLU A 139 2.066 2.929 14.624 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.335 3.459 13.122 1.00 0.40 H new ATOM 2186 N PRO A 140 1.187 -0.627 15.551 1.00 0.32 N ATOM 2187 CA PRO A 140 2.055 -1.385 16.467 1.00 0.34 C ATOM 2188 C PRO A 140 2.739 -2.552 15.758 1.00 0.32 C ATOM 2189 O PRO A 140 3.931 -2.801 15.947 1.00 0.34 O ATOM 2190 CB PRO A 140 1.097 -1.906 17.546 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.134 -1.077 17.415 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.226 -0.698 15.969 1.00 0.36 C ATOM 0 HA PRO A 140 2.858 -0.768 16.869 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.876 -2.963 17.398 1.00 0.40 H new ATOM 0 HB3 PRO A 140 1.533 -1.807 18.540 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.016 -1.636 17.728 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.077 -0.191 18.047 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -0.780 -1.439 15.393 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -0.735 0.257 15.834 1.00 0.36 H new ATOM 2200 N TRP A 141 1.966 -3.245 14.933 1.00 0.31 N ATOM 2201 CA TRP A 141 2.455 -4.362 14.127 1.00 0.32 C ATOM 2202 C TRP A 141 3.618 -3.914 13.246 1.00 0.31 C ATOM 2203 O TRP A 141 4.660 -4.557 13.193 1.00 0.36 O ATOM 2204 CB TRP A 141 1.311 -4.862 13.248 1.00 0.35 C ATOM 2205 CG TRP A 141 1.142 -6.344 13.237 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.043 -7.263 12.804 1.00 0.43 C ATOM 2207 CD2 TRP A 141 -0.013 -7.077 13.661 1.00 0.63 C ATOM 2208 NE1 TRP A 141 1.523 -8.527 12.923 1.00 0.60 N ATOM 2209 CE2 TRP A 141 0.262 -8.440 13.454 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -1.251 -6.713 14.197 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 -0.657 -9.441 13.762 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -2.161 -7.707 14.503 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -1.861 -9.056 14.286 1.00 1.20 C ATOM 0 H TRP A 141 0.974 -3.048 14.801 1.00 0.31 H new ATOM 0 HA TRP A 141 2.806 -5.159 14.783 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.382 -4.405 13.589 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.478 -4.520 12.227 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.026 -7.032 12.421 1.00 0.43 H new ATOM 0 HE1 TRP A 141 1.997 -9.391 12.659 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -1.492 -5.674 14.369 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 -0.427 -10.483 13.593 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -3.121 -7.437 14.917 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -2.594 -9.808 14.537 1.00 1.20 H new ATOM 2224 N ILE A 142 3.412 -2.800 12.562 1.00 0.26 N ATOM 2225 CA ILE A 142 4.436 -2.167 11.738 1.00 0.26 C ATOM 2226 C ILE A 142 5.740 -2.004 12.500 1.00 0.29 C ATOM 2227 O ILE A 142 6.810 -2.361 12.010 1.00 0.32 O ATOM 2228 CB ILE A 142 3.934 -0.787 11.289 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.845 -0.967 10.250 1.00 0.28 C ATOM 2230 CG2 ILE A 142 5.065 0.079 10.757 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.939 0.220 10.131 1.00 0.26 C ATOM 0 H ILE A 142 2.521 -2.303 12.561 1.00 0.26 H new ATOM 0 HA ILE A 142 4.626 -2.805 10.875 1.00 0.26 H new ATOM 0 HB ILE A 142 3.524 -0.266 12.154 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.305 -1.163 9.281 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.251 -1.845 10.504 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.669 1.047 10.450 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.811 0.224 11.539 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.527 -0.412 9.901 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.183 0.026 9.371 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.452 0.403 11.089 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.522 1.096 9.847 1.00 0.26 H new ATOM 2243 N GLN A 143 5.636 -1.453 13.694 1.00 0.30 N ATOM 2244 CA GLN A 143 6.791 -1.225 14.544 1.00 0.35 C ATOM 2245 C GLN A 143 7.524 -2.532 14.850 1.00 0.39 C ATOM 2246 O GLN A 143 8.748 -2.548 14.979 1.00 0.43 O ATOM 2247 CB GLN A 143 6.351 -0.544 15.831 1.00 0.41 C ATOM 2248 CG GLN A 143 5.575 0.738 15.586 1.00 0.43 C ATOM 2249 CD GLN A 143 6.372 1.762 14.803 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.600 1.807 14.871 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.672 2.597 14.056 1.00 0.52 N ATOM 0 H GLN A 143 4.751 -1.151 14.102 1.00 0.30 H new ATOM 0 HA GLN A 143 7.488 -0.576 14.014 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.733 -1.232 16.407 1.00 0.41 H new ATOM 0 HB3 GLN A 143 7.229 -0.321 16.437 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.658 0.505 15.044 1.00 0.43 H new ATOM 0 HG3 GLN A 143 5.279 1.168 16.543 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.655 2.526 14.028 1.00 0.52 H new ATOM 0 HE22 GLN A 143 6.149 3.313 13.508 1.00 0.52 H new ATOM 2260 N GLU A 144 6.773 -3.630 14.938 1.00 0.40 N ATOM 2261 CA GLU A 144 7.348 -4.954 15.153 1.00 0.47 C ATOM 2262 C GLU A 144 8.180 -5.392 13.954 1.00 0.48 C ATOM 2263 O GLU A 144 9.014 -6.291 14.049 1.00 0.55 O ATOM 2264 CB GLU A 144 6.222 -5.955 15.372 1.00 0.51 C ATOM 2265 CG GLU A 144 5.298 -5.572 16.498 1.00 0.52 C ATOM 2266 CD GLU A 144 5.908 -5.805 17.861 1.00 0.61 C ATOM 2267 OE1 GLU A 144 6.644 -4.918 18.346 1.00 0.67 O ATOM 2268 OE2 GLU A 144 5.647 -6.871 18.457 1.00 0.78 O ATOM 0 H GLU A 144 5.756 -3.625 14.863 1.00 0.40 H new ATOM 0 HA GLU A 144 7.998 -4.912 16.027 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.644 -6.049 14.453 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.651 -6.935 15.580 1.00 0.51 H new ATOM 0 HG2 GLU A 144 5.030 -4.520 16.400 1.00 0.52 H new ATOM 0 HG3 GLU A 144 4.375 -6.145 16.415 1.00 0.52 H new ATOM 2275 N ASN A 145 7.930 -4.752 12.824 1.00 0.44 N ATOM 2276 CA ASN A 145 8.575 -5.115 11.571 1.00 0.48 C ATOM 2277 C ASN A 145 9.589 -4.051 11.196 1.00 0.47 C ATOM 2278 O ASN A 145 10.208 -4.100 10.134 1.00 0.57 O ATOM 2279 CB ASN A 145 7.541 -5.286 10.449 1.00 0.49 C ATOM 2280 CG ASN A 145 6.565 -6.430 10.699 1.00 0.58 C ATOM 2281 OD1 ASN A 145 6.107 -6.563 11.936 1.00 0.93 O flip ATOM 2282 ND2 ASN A 145 6.203 -7.165 9.780 1.00 0.54 N flip ATOM 0 H ASN A 145 7.279 -3.971 12.748 1.00 0.44 H new ATOM 0 HA ASN A 145 9.085 -6.069 11.704 1.00 0.48 H new ATOM 0 HB2 ASN A 145 6.981 -4.358 10.336 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.062 -5.461 9.508 1.00 0.49 H new ATOM 0 HD21 ASN A 145 6.579 -7.031 8.841 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.527 -7.908 9.957 1.00 0.54 H new ATOM 2289 N GLY A 146 9.734 -3.076 12.079 1.00 0.42 N ATOM 2290 CA GLY A 146 10.725 -2.047 11.900 1.00 0.45 C ATOM 2291 C GLY A 146 10.123 -0.661 11.826 1.00 0.44 C ATOM 2292 O GLY A 146 10.568 0.254 12.519 1.00 0.56 O ATOM 0 H GLY A 146 9.173 -2.982 12.926 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.436 -2.086 12.725 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.286 -2.244 10.986 1.00 0.45 H new ATOM 2296 N GLY A 147 9.105 -0.507 10.996 1.00 0.36 N ATOM 2297 CA GLY A 147 8.488 0.789 10.814 1.00 0.36 C ATOM 2298 C GLY A 147 8.141 1.046 9.365 1.00 0.38 C ATOM 2299 O GLY A 147 8.407 0.205 8.504 1.00 0.49 O ATOM 0 H GLY A 147 8.693 -1.259 10.443 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.584 0.850 11.421 1.00 0.36 H new ATOM 0 HA3 GLY A 147 9.164 1.567 11.170 1.00 0.36 H new ATOM 2303 N TRP A 148 7.549 2.201 9.089 1.00 0.35 N ATOM 2304 CA TRP A 148 7.143 2.545 7.737 1.00 0.37 C ATOM 2305 C TRP A 148 8.357 2.767 6.855 1.00 0.38 C ATOM 2306 O TRP A 148 8.392 2.318 5.710 1.00 0.40 O ATOM 2307 CB TRP A 148 6.275 3.796 7.742 1.00 0.39 C ATOM 2308 CG TRP A 148 5.033 3.665 8.554 1.00 0.46 C ATOM 2309 CD1 TRP A 148 3.862 3.095 8.160 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.831 4.121 9.895 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.940 3.171 9.169 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.512 3.793 10.247 1.00 1.25 C ATOM 2313 CE3 TRP A 148 5.636 4.771 10.831 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.979 4.096 11.496 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 5.106 5.072 12.070 1.00 3.57 C ATOM 2316 CH2 TRP A 148 3.788 4.734 12.393 1.00 3.32 C ATOM 0 H TRP A 148 7.340 2.915 9.787 1.00 0.35 H new ATOM 0 HA TRP A 148 6.563 1.713 7.336 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.861 4.632 8.125 1.00 0.39 H new ATOM 0 HB3 TRP A 148 6.002 4.041 6.716 1.00 0.39 H new ATOM 0 HD1 TRP A 148 3.686 2.648 7.193 1.00 0.79 H new ATOM 0 HE1 TRP A 148 1.983 2.821 9.125 1.00 0.52 H new ATOM 0 HE3 TRP A 148 6.656 5.034 10.591 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.961 3.836 11.748 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 5.719 5.577 12.802 1.00 3.57 H new ATOM 0 HH2 TRP A 148 3.402 4.982 13.371 1.00 3.32 H new ATOM 2327 N ASP A 149 9.354 3.460 7.394 1.00 0.42 N ATOM 2328 CA ASP A 149 10.604 3.678 6.676 1.00 0.47 C ATOM 2329 C ASP A 149 11.236 2.348 6.298 1.00 0.47 C ATOM 2330 O ASP A 149 11.847 2.226 5.240 1.00 0.52 O ATOM 2331 CB ASP A 149 11.588 4.504 7.510 1.00 0.56 C ATOM 2332 CG ASP A 149 11.313 5.992 7.449 1.00 1.23 C ATOM 2333 OD1 ASP A 149 11.818 6.653 6.518 1.00 1.72 O ATOM 2334 OD2 ASP A 149 10.606 6.514 8.336 1.00 1.96 O ATOM 0 H ASP A 149 9.321 3.879 8.323 1.00 0.42 H new ATOM 0 HA ASP A 149 10.373 4.236 5.769 1.00 0.47 H new ATOM 0 HB2 ASP A 149 11.542 4.174 8.548 1.00 0.56 H new ATOM 0 HB3 ASP A 149 12.602 4.313 7.159 1.00 0.56 H new ATOM 2339 N THR A 150 11.059 1.352 7.157 1.00 0.47 N ATOM 2340 CA THR A 150 11.582 0.017 6.908 1.00 0.51 C ATOM 2341 C THR A 150 11.013 -0.575 5.624 1.00 0.50 C ATOM 2342 O THR A 150 11.735 -1.199 4.854 1.00 0.56 O ATOM 2343 CB THR A 150 11.279 -0.936 8.078 1.00 0.56 C ATOM 2344 OG1 THR A 150 11.990 -0.520 9.254 1.00 0.62 O ATOM 2345 CG2 THR A 150 11.658 -2.366 7.719 1.00 0.67 C ATOM 0 H THR A 150 10.553 1.446 8.038 1.00 0.47 H new ATOM 0 HA THR A 150 12.662 0.122 6.805 1.00 0.51 H new ATOM 0 HB THR A 150 10.208 -0.901 8.279 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.590 -1.238 9.545 1.00 0.62 H new ATOM 0 HG21 THR A 150 11.436 -3.023 8.560 1.00 0.67 H new ATOM 0 HG22 THR A 150 11.087 -2.686 6.847 1.00 0.67 H new ATOM 0 HG23 THR A 150 12.723 -2.414 7.493 1.00 0.67 H new ATOM 2353 N PHE A 151 9.726 -0.369 5.382 1.00 0.45 N ATOM 2354 CA PHE A 151 9.095 -0.918 4.191 1.00 0.47 C ATOM 2355 C PHE A 151 9.785 -0.373 2.944 1.00 0.48 C ATOM 2356 O PHE A 151 9.966 -1.080 1.955 1.00 0.55 O ATOM 2357 CB PHE A 151 7.603 -0.575 4.145 1.00 0.47 C ATOM 2358 CG PHE A 151 6.826 -0.974 5.368 1.00 1.18 C ATOM 2359 CD1 PHE A 151 6.990 -2.234 5.920 1.00 1.80 C ATOM 2360 CD2 PHE A 151 5.952 -0.092 5.975 1.00 1.75 C ATOM 2361 CE1 PHE A 151 6.291 -2.607 7.051 1.00 2.65 C ATOM 2362 CE2 PHE A 151 5.250 -0.458 7.107 1.00 2.61 C ATOM 2363 CZ PHE A 151 5.360 -1.706 7.611 1.00 3.00 C ATOM 0 H PHE A 151 9.105 0.168 5.987 1.00 0.45 H new ATOM 0 HA PHE A 151 9.195 -2.003 4.224 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.496 0.500 3.999 1.00 0.47 H new ATOM 0 HB3 PHE A 151 7.160 -1.061 3.276 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.673 -2.933 5.460 1.00 1.80 H new ATOM 0 HD2 PHE A 151 5.816 0.895 5.559 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.454 -3.575 7.501 1.00 2.65 H new ATOM 0 HE2 PHE A 151 4.607 0.261 7.594 1.00 2.61 H new ATOM 0 HZ PHE A 151 4.738 -2.013 8.439 1.00 3.00 H new ATOM 2373 N VAL A 152 10.196 0.886 3.019 1.00 0.45 N ATOM 2374 CA VAL A 152 10.894 1.535 1.920 1.00 0.49 C ATOM 2375 C VAL A 152 12.376 1.150 1.935 1.00 0.57 C ATOM 2376 O VAL A 152 13.061 1.208 0.919 1.00 0.64 O ATOM 2377 CB VAL A 152 10.698 3.076 1.929 1.00 0.60 C ATOM 2378 CG1 VAL A 152 9.552 3.460 2.849 1.00 1.15 C ATOM 2379 CG2 VAL A 152 11.967 3.824 2.303 1.00 0.91 C ATOM 0 H VAL A 152 10.056 1.481 3.836 1.00 0.45 H new ATOM 0 HA VAL A 152 10.456 1.179 0.987 1.00 0.49 H new ATOM 0 HB VAL A 152 10.449 3.373 0.910 1.00 0.60 H new ATOM 0 HG11 VAL A 152 9.428 4.543 2.844 1.00 1.15 H new ATOM 0 HG12 VAL A 152 8.633 2.988 2.502 1.00 1.15 H new ATOM 0 HG13 VAL A 152 9.771 3.125 3.863 1.00 1.15 H new ATOM 0 HG21 VAL A 152 11.773 4.897 2.294 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.287 3.522 3.300 1.00 0.91 H new ATOM 0 HG23 VAL A 152 12.752 3.591 1.584 1.00 0.91 H new ATOM 2389 N GLU A 153 12.880 0.775 3.100 1.00 0.59 N ATOM 2390 CA GLU A 153 14.216 0.207 3.192 1.00 0.69 C ATOM 2391 C GLU A 153 14.306 -1.055 2.337 1.00 0.70 C ATOM 2392 O GLU A 153 15.377 -1.421 1.854 1.00 0.80 O ATOM 2393 CB GLU A 153 14.566 -0.114 4.645 1.00 0.76 C ATOM 2394 CG GLU A 153 14.751 1.124 5.502 1.00 0.80 C ATOM 2395 CD GLU A 153 16.032 1.859 5.178 1.00 1.31 C ATOM 2396 OE1 GLU A 153 16.029 2.698 4.254 1.00 1.67 O ATOM 2397 OE2 GLU A 153 17.058 1.589 5.841 1.00 1.58 O ATOM 0 H GLU A 153 12.388 0.853 3.990 1.00 0.59 H new ATOM 0 HA GLU A 153 14.932 0.940 2.820 1.00 0.69 H new ATOM 0 HB2 GLU A 153 13.777 -0.731 5.074 1.00 0.76 H new ATOM 0 HB3 GLU A 153 15.481 -0.705 4.669 1.00 0.76 H new ATOM 0 HG2 GLU A 153 13.903 1.794 5.357 1.00 0.80 H new ATOM 0 HG3 GLU A 153 14.755 0.838 6.554 1.00 0.80 H new ATOM 2404 N LEU A 154 13.160 -1.706 2.145 1.00 0.67 N ATOM 2405 CA LEU A 154 13.088 -2.921 1.345 1.00 0.72 C ATOM 2406 C LEU A 154 12.629 -2.605 -0.080 1.00 0.74 C ATOM 2407 O LEU A 154 13.305 -2.934 -1.053 1.00 0.83 O ATOM 2408 CB LEU A 154 12.104 -3.923 1.968 1.00 0.72 C ATOM 2409 CG LEU A 154 11.954 -3.864 3.492 1.00 0.83 C ATOM 2410 CD1 LEU A 154 10.980 -4.925 3.973 1.00 1.30 C ATOM 2411 CD2 LEU A 154 13.294 -4.026 4.186 1.00 1.14 C ATOM 0 H LEU A 154 12.266 -1.408 2.536 1.00 0.67 H new ATOM 0 HA LEU A 154 14.087 -3.357 1.319 1.00 0.72 H new ATOM 0 HB2 LEU A 154 11.123 -3.763 1.521 1.00 0.72 H new ATOM 0 HB3 LEU A 154 12.420 -4.929 1.693 1.00 0.72 H new ATOM 0 HG LEU A 154 11.559 -2.881 3.749 1.00 0.83 H new ATOM 0 HD11 LEU A 154 10.886 -4.868 5.057 1.00 1.30 H new ATOM 0 HD12 LEU A 154 10.005 -4.758 3.515 1.00 1.30 H new ATOM 0 HD13 LEU A 154 11.349 -5.912 3.692 1.00 1.30 H new ATOM 0 HD21 LEU A 154 13.153 -3.979 5.266 1.00 1.14 H new ATOM 0 HD22 LEU A 154 13.728 -4.989 3.918 1.00 1.14 H new ATOM 0 HD23 LEU A 154 13.965 -3.226 3.873 1.00 1.14 H new ATOM 2423 N TYR A 155 11.477 -1.947 -0.191 1.00 0.69 N ATOM 2424 CA TYR A 155 10.816 -1.745 -1.481 1.00 0.78 C ATOM 2425 C TYR A 155 10.817 -0.279 -1.892 1.00 0.77 C ATOM 2426 O TYR A 155 10.058 0.126 -2.776 1.00 1.15 O ATOM 2427 CB TYR A 155 9.365 -2.200 -1.393 1.00 0.86 C ATOM 2428 CG TYR A 155 9.170 -3.609 -0.884 1.00 1.40 C ATOM 2429 CD1 TYR A 155 9.519 -4.711 -1.654 1.00 1.83 C ATOM 2430 CD2 TYR A 155 8.626 -3.836 0.375 1.00 2.24 C ATOM 2431 CE1 TYR A 155 9.332 -5.996 -1.183 1.00 2.65 C ATOM 2432 CE2 TYR A 155 8.436 -5.117 0.851 1.00 3.16 C ATOM 2433 CZ TYR A 155 8.790 -6.193 0.070 1.00 3.24 C ATOM 2434 OH TYR A 155 8.598 -7.471 0.541 1.00 4.24 O ATOM 0 H TYR A 155 10.978 -1.542 0.601 1.00 0.69 H new ATOM 0 HA TYR A 155 11.368 -2.326 -2.220 1.00 0.78 H new ATOM 0 HB2 TYR A 155 8.824 -1.515 -0.740 1.00 0.86 H new ATOM 0 HB3 TYR A 155 8.914 -2.121 -2.382 1.00 0.86 H new ATOM 0 HD1 TYR A 155 9.943 -4.561 -2.636 1.00 1.83 H new ATOM 0 HD2 TYR A 155 8.347 -2.994 0.992 1.00 2.24 H new ATOM 0 HE1 TYR A 155 9.609 -6.843 -1.793 1.00 2.65 H new ATOM 0 HE2 TYR A 155 8.012 -5.274 1.832 1.00 3.16 H new ATOM 0 HH TYR A 155 8.209 -7.433 1.440 1.00 4.24 H new ATOM 2444 N GLY A 156 11.666 0.500 -1.262 1.00 0.66 N ATOM 2445 CA GLY A 156 11.597 1.943 -1.394 1.00 0.64 C ATOM 2446 C GLY A 156 11.852 2.469 -2.772 1.00 0.78 C ATOM 2447 O GLY A 156 12.448 1.819 -3.630 1.00 1.10 O ATOM 0 H GLY A 156 12.412 0.163 -0.654 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.610 2.275 -1.073 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.321 2.389 -0.712 1.00 0.64 H new ATOM 2451 N ASN A 157 11.381 3.673 -2.944 1.00 0.70 N ATOM 2452 CA ASN A 157 11.385 4.361 -4.193 1.00 0.80 C ATOM 2453 C ASN A 157 12.309 5.570 -4.110 1.00 1.14 C ATOM 2454 O ASN A 157 12.411 6.193 -3.053 1.00 1.29 O ATOM 2455 CB ASN A 157 9.946 4.751 -4.439 1.00 0.70 C ATOM 2456 CG ASN A 157 9.641 5.265 -5.824 1.00 0.77 C ATOM 2457 OD1 ASN A 157 10.472 5.876 -6.490 1.00 0.88 O ATOM 2458 ND2 ASN A 157 8.423 5.011 -6.258 1.00 0.76 N ATOM 0 H ASN A 157 10.970 4.217 -2.186 1.00 0.70 H new ATOM 0 HA ASN A 157 11.759 3.751 -5.016 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.314 3.884 -4.245 1.00 0.70 H new ATOM 0 HB3 ASN A 157 9.667 5.517 -3.716 1.00 0.70 H new ATOM 0 HD21 ASN A 157 8.136 5.326 -7.185 1.00 0.76 H new ATOM 0 HD22 ASN A 157 7.767 4.499 -5.667 1.00 0.76 H new ATOM 2969 N GLY B1005 -12.149 -13.495 1.683 1.00 1.02 N ATOM 2970 CA GLY B1005 -11.787 -14.007 2.999 1.00 1.07 C ATOM 2971 C GLY B1005 -10.707 -15.093 2.965 1.00 1.05 C ATOM 2972 O GLY B1005 -9.790 -15.089 3.780 1.00 1.20 O ATOM 0 HA2 GLY B1005 -11.438 -13.180 3.617 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -12.679 -14.409 3.480 1.00 1.07 H new ATOM 2976 N ARG B1006 -10.835 -16.041 2.033 1.00 1.08 N ATOM 2977 CA ARG B1006 -9.843 -17.099 1.855 1.00 1.08 C ATOM 2978 C ARG B1006 -8.860 -16.812 0.721 1.00 1.04 C ATOM 2979 O ARG B1006 -7.839 -17.478 0.610 1.00 1.10 O ATOM 2980 CB ARG B1006 -10.538 -18.421 1.551 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.823 -19.268 2.770 1.00 1.24 C ATOM 2982 CD ARG B1006 -11.660 -18.525 3.791 1.00 1.55 C ATOM 2983 NE ARG B1006 -11.767 -19.257 5.053 1.00 1.88 N ATOM 2984 CZ ARG B1006 -12.873 -19.307 5.794 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -13.981 -18.706 5.382 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -12.877 -19.969 6.943 1.00 2.87 N ATOM 0 H ARG B1006 -11.622 -16.095 1.387 1.00 1.08 H new ATOM 0 HA ARG B1006 -9.283 -17.150 2.789 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -11.478 -18.215 1.038 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -9.918 -18.994 0.862 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.343 -20.177 2.467 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -9.882 -19.576 3.226 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -11.219 -17.546 3.977 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -12.657 -18.354 3.386 1.00 1.55 H new ATOM 0 HE ARG B1006 -10.944 -19.760 5.386 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -13.989 -18.203 4.495 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -14.826 -18.747 5.952 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -12.031 -20.442 7.262 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -13.726 -20.005 7.508 1.00 2.87 H new ATOM 3000 N ALA B1007 -9.160 -15.836 -0.123 1.00 1.02 N ATOM 3001 CA ALA B1007 -8.383 -15.640 -1.344 1.00 1.05 C ATOM 3002 C ALA B1007 -7.314 -14.567 -1.183 1.00 1.02 C ATOM 3003 O ALA B1007 -6.150 -14.820 -1.466 1.00 1.31 O ATOM 3004 CB ALA B1007 -9.292 -15.319 -2.513 1.00 1.10 C ATOM 0 H ALA B1007 -9.925 -15.174 0.009 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.867 -16.578 -1.548 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -8.692 -15.177 -3.412 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.989 -16.142 -2.668 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -9.849 -14.407 -2.301 1.00 1.10 H new ATOM 3010 N LEU B1008 -7.699 -13.378 -0.734 1.00 0.84 N ATOM 3011 CA LEU B1008 -6.729 -12.304 -0.518 1.00 0.83 C ATOM 3012 C LEU B1008 -5.773 -12.722 0.581 1.00 0.78 C ATOM 3013 O LEU B1008 -4.562 -12.581 0.460 1.00 0.79 O ATOM 3014 CB LEU B1008 -7.420 -10.984 -0.151 1.00 0.90 C ATOM 3015 CG LEU B1008 -8.248 -10.337 -1.266 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -7.499 -10.409 -2.587 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -9.616 -10.990 -1.389 1.00 1.33 C ATOM 0 H LEU B1008 -8.664 -13.132 -0.514 1.00 0.84 H new ATOM 0 HA LEU B1008 -6.181 -12.134 -1.445 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -8.072 -11.162 0.704 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -6.659 -10.273 0.170 1.00 0.90 H new ATOM 0 HG LEU B1008 -8.404 -9.290 -1.007 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -8.098 -9.946 -3.371 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -6.550 -9.881 -2.496 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -7.311 -11.452 -2.842 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -10.179 -10.508 -2.189 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -9.495 -12.049 -1.618 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -10.157 -10.882 -0.449 1.00 1.33 H new ATOM 3029 N ALA B1009 -6.360 -13.226 1.649 1.00 0.78 N ATOM 3030 CA ALA B1009 -5.650 -13.923 2.709 1.00 0.78 C ATOM 3031 C ALA B1009 -4.541 -14.813 2.156 1.00 0.80 C ATOM 3032 O ALA B1009 -3.386 -14.751 2.577 1.00 0.76 O ATOM 3033 CB ALA B1009 -6.630 -14.801 3.465 1.00 0.88 C ATOM 0 H ALA B1009 -7.365 -13.162 1.809 1.00 0.78 H new ATOM 0 HA ALA B1009 -5.202 -13.173 3.361 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -6.106 -15.328 4.262 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -7.417 -14.181 3.895 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -7.072 -15.525 2.781 1.00 0.88 H new ATOM 3039 N ALA B1010 -4.929 -15.646 1.196 1.00 0.89 N ATOM 3040 CA ALA B1010 -4.062 -16.671 0.639 1.00 0.94 C ATOM 3041 C ALA B1010 -3.058 -16.093 -0.348 1.00 0.92 C ATOM 3042 O ALA B1010 -1.850 -16.277 -0.202 1.00 0.92 O ATOM 3043 CB ALA B1010 -4.914 -17.720 -0.043 1.00 1.03 C ATOM 0 H ALA B1010 -5.861 -15.626 0.782 1.00 0.89 H new ATOM 0 HA ALA B1010 -3.493 -17.118 1.454 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -4.271 -18.493 -0.464 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -5.592 -18.167 0.684 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -5.493 -17.256 -0.841 1.00 1.03 H new ATOM 3049 N PHE B1011 -3.564 -15.399 -1.357 1.00 0.93 N ATOM 3050 CA PHE B1011 -2.722 -14.821 -2.394 1.00 0.93 C ATOM 3051 C PHE B1011 -1.830 -13.725 -1.816 1.00 0.85 C ATOM 3052 O PHE B1011 -0.784 -13.400 -2.376 1.00 0.89 O ATOM 3053 CB PHE B1011 -3.582 -14.259 -3.532 1.00 0.97 C ATOM 3054 CG PHE B1011 -4.174 -15.309 -4.440 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -3.382 -16.018 -5.338 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -5.525 -15.603 -4.378 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -3.926 -16.988 -6.149 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -6.074 -16.577 -5.188 1.00 1.32 C ATOM 3059 CZ PHE B1011 -5.253 -17.217 -6.151 1.00 1.46 C ATOM 0 H PHE B1011 -4.561 -15.222 -1.480 1.00 0.93 H new ATOM 0 HA PHE B1011 -2.085 -15.610 -2.794 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -4.391 -13.669 -3.103 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -2.974 -13.580 -4.130 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -2.325 -15.804 -5.400 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -6.157 -15.064 -3.688 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -3.282 -17.571 -6.790 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -7.115 -16.848 -5.090 1.00 1.32 H new ATOM 0 HZ PHE B1011 -5.689 -17.883 -6.881 1.00 1.46 H new ATOM 3069 N GLY B1012 -2.246 -13.180 -0.681 1.00 0.78 N ATOM 3070 CA GLY B1012 -1.497 -12.126 -0.032 1.00 0.72 C ATOM 3071 C GLY B1012 -0.325 -12.648 0.770 1.00 0.73 C ATOM 3072 O GLY B1012 0.461 -11.871 1.309 1.00 0.78 O ATOM 0 H GLY B1012 -3.099 -13.454 -0.194 1.00 0.78 H new ATOM 0 HA2 GLY B1012 -1.133 -11.428 -0.786 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -2.162 -11.567 0.626 1.00 0.72 H new ATOM 3076 N ASP B1013 -0.210 -13.966 0.868 1.00 0.78 N ATOM 3077 CA ASP B1013 0.948 -14.571 1.515 1.00 0.86 C ATOM 3078 C ASP B1013 2.111 -14.653 0.528 1.00 0.93 C ATOM 3079 O ASP B1013 3.247 -14.952 0.900 1.00 1.06 O ATOM 3080 CB ASP B1013 0.606 -15.963 2.054 1.00 0.98 C ATOM 3081 CG ASP B1013 1.730 -16.562 2.880 1.00 1.18 C ATOM 3082 OD1 ASP B1013 2.016 -16.038 3.979 1.00 1.48 O ATOM 3083 OD2 ASP B1013 2.333 -17.565 2.440 1.00 1.90 O ATOM 0 H ASP B1013 -0.896 -14.631 0.512 1.00 0.78 H new ATOM 0 HA ASP B1013 1.241 -13.945 2.358 1.00 0.86 H new ATOM 0 HB2 ASP B1013 -0.295 -15.901 2.664 1.00 0.98 H new ATOM 0 HB3 ASP B1013 0.380 -16.626 1.219 1.00 0.98 H new ATOM 3088 N CYS B1014 1.824 -14.351 -0.734 1.00 0.93 N ATOM 3089 CA CYS B1014 2.828 -14.386 -1.779 1.00 1.06 C ATOM 3090 C CYS B1014 3.301 -12.969 -2.039 1.00 1.08 C ATOM 3091 O CYS B1014 2.754 -12.267 -2.885 1.00 1.44 O ATOM 3092 CB CYS B1014 2.254 -14.978 -3.066 1.00 1.12 C ATOM 3093 SG CYS B1014 1.070 -16.338 -2.805 1.00 1.34 S ATOM 0 H CYS B1014 0.895 -14.078 -1.055 1.00 0.93 H new ATOM 0 HA CYS B1014 3.659 -15.014 -1.457 1.00 1.06 H new ATOM 0 HB2 CYS B1014 1.760 -14.185 -3.628 1.00 1.12 H new ATOM 0 HB3 CYS B1014 3.076 -15.341 -3.683 1.00 1.12 H new ATOM 0 HG CYS B1014 0.642 -16.767 -3.955 1.00 1.34 H new