USER MOD reduce.3.24.130724 H: found=0, std=0, add=1184, rem=0, adj=37 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 69 THR OG1 : rot 180:sc= 0.0123 USER MOD Set 1.2: A 117 LYS NZ :NH3+ -170:sc= 0.482 (180deg=0.435) USER MOD Set 2.1: A 48 GLN :FLIP amide:sc= -2.21! C(o=-4!,f=-2.3!) USER MOD Set 2.2: A 157 ASN :FLIP amide:sc= -0.0554 F(o=-3.1,f=-2.3) USER MOD Set 3.1: A 16 LYS NZ :NH3+ 148:sc= 2.01 (180deg=1.04) USER MOD Set 3.2: A 19 GLN : amide:sc= 0.791 K(o=2.8,f=-2.3) USER MOD Single : A 3 GLN : amide:sc= -0.272 K(o=-0.27,f=-0.85) USER MOD Single : A 4 SER OG : rot -173:sc= 0.388 USER MOD Single : A 5 ASN : amide:sc= -2.05! C(o=-2!,f=-6.9!) USER MOD Single : A 14 SER OG : rot 125:sc= 0.389 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 180:sc= 0 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 23 SER OG : rot 180:sc= 0 USER MOD Single : A 25 SER OG : rot 10:sc= 0.308 USER MOD Single : A 26 GLN : amide:sc= -0.227 K(o=-0.23,f=-0.97) USER MOD Single : A 28 SER OG : rot 84:sc= 0.402 USER MOD Single : A 41 THR OG1 : rot 180:sc= 0 USER MOD Single : A 43 SER OG : rot 67:sc= 1.12 USER MOD Single : A 47 LYS NZ :NH3+ -144:sc= -1.41! (180deg=-3.19!) USER MOD Single : A 61 TYR OH : rot 147:sc= 0.0577 USER MOD Single : A 66 SER OG : rot 180:sc= 0.0128 USER MOD Single : A 70 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN :FLIP amide:sc= 0 F(o=-1,f=0) USER MOD Single : A 73 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 75 THR OG1 : rot 180:sc= -4.27! USER MOD Single : A 78 THR OG1 : rot 180:sc= 0 USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 82 SER OG : rot -108:sc= 0.38 USER MOD Single : A 85 GLN : amide:sc=-0.00808 K(o=-0.0081,f=-0.9) USER MOD Single : A 88 ASN : amide:sc= 0.0595 X(o=0.059,f=-0.023) USER MOD Single : A 96 ASN : amide:sc= -1.31! C(o=-1.3!,f=-6!) USER MOD Single : A 105 SER OG : rot 52:sc= 0.236 USER MOD Single : A 111 CYS SG : rot 170:sc= -10.6! USER MOD Single : A 114 SER OG : rot 71:sc= 0.708 USER MOD Single : A 119 MET CE :methyl -156:sc= -6.2! (180deg=-9.15!) USER MOD Single : A 120 GLN :FLIP amide:sc= -0.198 F(o=-2!,f=-0.2) USER MOD Single : A 124 SER OG : rot -160:sc= -0.117 USER MOD Single : A 130 MET CE :methyl -118:sc= -8.46! (180deg=-12.2!) USER MOD Single : A 132 THR OG1 : rot 77:sc= 0.145 USER MOD Single : A 133 TYR OH : rot 180:sc= 0 USER MOD Single : A 135 ASN : amide:sc= 1.15 K(o=1.2,f=0) USER MOD Single : A 137 HIS : no HE2:sc= 0.831 K(o=0.83,f=-2.8!) USER MOD Single : A 143 GLN : amide:sc= 0.0169 K(o=0.017,f=-0.58) USER MOD Single : A 145 ASN : amide:sc= 0.957 K(o=0.96,f=-0.51) USER MOD Single : A 150 THR OG1 : rot 180:sc= 0 USER MOD Single : A 155 TYR OH : rot -140:sc= 1.21 USER MOD Single : B1014 CYS SG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 31 N GLN A 3 -0.955 9.686 12.195 1.00 0.73 N ATOM 32 CA GLN A 3 -1.821 10.022 11.080 1.00 0.73 C ATOM 33 C GLN A 3 -1.060 10.054 9.765 1.00 0.61 C ATOM 34 O GLN A 3 -1.627 10.349 8.719 1.00 0.64 O ATOM 35 CB GLN A 3 -2.546 11.332 11.346 1.00 0.83 C ATOM 36 CG GLN A 3 -3.613 11.169 12.407 1.00 1.13 C ATOM 37 CD GLN A 3 -4.703 10.201 11.984 1.00 1.76 C ATOM 38 OE1 GLN A 3 -5.028 10.090 10.801 1.00 2.42 O ATOM 39 NE2 GLN A 3 -5.261 9.479 12.940 1.00 2.22 N ATOM 0 HA GLN A 3 -2.570 9.236 10.986 1.00 0.73 H new ATOM 0 HB2 GLN A 3 -1.828 12.089 11.663 1.00 0.83 H new ATOM 0 HB3 GLN A 3 -3.001 11.691 10.423 1.00 0.83 H new ATOM 0 HG2 GLN A 3 -3.154 10.815 13.330 1.00 1.13 H new ATOM 0 HG3 GLN A 3 -4.057 12.140 12.625 1.00 1.13 H new ATOM 0 HE21 GLN A 3 -4.965 9.599 13.909 1.00 2.22 H new ATOM 0 HE22 GLN A 3 -5.988 8.801 12.709 1.00 2.22 H new ATOM 48 N SER A 4 0.225 9.735 9.820 1.00 0.55 N ATOM 49 CA SER A 4 1.044 9.659 8.621 1.00 0.52 C ATOM 50 C SER A 4 0.606 8.490 7.740 1.00 0.45 C ATOM 51 O SER A 4 0.702 8.553 6.515 1.00 0.46 O ATOM 52 CB SER A 4 2.513 9.498 9.001 1.00 0.61 C ATOM 53 OG SER A 4 2.876 10.389 10.044 1.00 1.25 O ATOM 0 H SER A 4 0.723 9.524 10.685 1.00 0.55 H new ATOM 0 HA SER A 4 0.916 10.584 8.059 1.00 0.52 H new ATOM 0 HB2 SER A 4 2.699 8.471 9.316 1.00 0.61 H new ATOM 0 HB3 SER A 4 3.139 9.682 8.128 1.00 0.61 H new ATOM 0 HG SER A 4 3.844 10.347 10.188 1.00 1.25 H new ATOM 59 N ASN A 5 0.091 7.431 8.374 1.00 0.43 N ATOM 60 CA ASN A 5 -0.338 6.228 7.654 1.00 0.39 C ATOM 61 C ASN A 5 -1.473 6.568 6.695 1.00 0.35 C ATOM 62 O ASN A 5 -1.811 5.786 5.804 1.00 0.35 O ATOM 63 CB ASN A 5 -0.807 5.099 8.597 1.00 0.40 C ATOM 64 CG ASN A 5 -0.403 5.254 10.059 1.00 0.80 C ATOM 65 OD1 ASN A 5 0.582 5.909 10.395 1.00 1.78 O ATOM 66 ND2 ASN A 5 -1.153 4.600 10.938 1.00 0.53 N ATOM 0 H ASN A 5 -0.039 7.383 9.385 1.00 0.43 H new ATOM 0 HA ASN A 5 0.534 5.868 7.109 1.00 0.39 H new ATOM 0 HB2 ASN A 5 -1.894 5.033 8.544 1.00 0.40 H new ATOM 0 HB3 ASN A 5 -0.412 4.153 8.227 1.00 0.40 H new ATOM 0 HD21 ASN A 5 -0.919 4.631 11.930 1.00 0.53 H new ATOM 0 HD22 ASN A 5 -1.963 4.067 10.621 1.00 0.53 H new ATOM 73 N ARG A 6 -2.063 7.740 6.904 1.00 0.35 N ATOM 74 CA ARG A 6 -3.086 8.275 6.023 1.00 0.34 C ATOM 75 C ARG A 6 -2.602 8.292 4.586 1.00 0.31 C ATOM 76 O ARG A 6 -3.284 7.821 3.677 1.00 0.30 O ATOM 77 CB ARG A 6 -3.421 9.705 6.441 1.00 0.41 C ATOM 78 CG ARG A 6 -4.477 10.344 5.572 1.00 0.59 C ATOM 79 CD ARG A 6 -5.776 9.593 5.716 1.00 0.41 C ATOM 80 NE ARG A 6 -6.361 9.828 7.040 1.00 0.68 N ATOM 81 CZ ARG A 6 -7.449 9.226 7.513 1.00 0.69 C ATOM 82 NH1 ARG A 6 -8.087 8.330 6.786 1.00 1.40 N ATOM 83 NH2 ARG A 6 -7.901 9.528 8.723 1.00 0.93 N ATOM 0 H ARG A 6 -1.842 8.346 7.694 1.00 0.35 H new ATOM 0 HA ARG A 6 -3.968 7.639 6.097 1.00 0.34 H new ATOM 0 HB2 ARG A 6 -3.763 9.704 7.476 1.00 0.41 H new ATOM 0 HB3 ARG A 6 -2.515 10.309 6.405 1.00 0.41 H new ATOM 0 HG2 ARG A 6 -4.615 11.387 5.858 1.00 0.59 H new ATOM 0 HG3 ARG A 6 -4.156 10.339 4.530 1.00 0.59 H new ATOM 0 HD2 ARG A 6 -6.474 9.911 4.942 1.00 0.41 H new ATOM 0 HD3 ARG A 6 -5.604 8.526 5.572 1.00 0.41 H new ATOM 0 HE ARG A 6 -5.898 10.506 7.645 1.00 0.68 H new ATOM 0 HH11 ARG A 6 -7.747 8.094 5.854 1.00 1.40 H new ATOM 0 HH12 ARG A 6 -8.920 7.873 7.156 1.00 1.40 H new ATOM 0 HH21 ARG A 6 -7.414 10.222 9.291 1.00 0.93 H new ATOM 0 HH22 ARG A 6 -8.735 9.066 9.086 1.00 0.93 H new ATOM 97 N GLU A 7 -1.417 8.843 4.418 1.00 0.30 N ATOM 98 CA GLU A 7 -0.816 9.056 3.111 1.00 0.29 C ATOM 99 C GLU A 7 -0.793 7.786 2.287 1.00 0.25 C ATOM 100 O GLU A 7 -1.214 7.779 1.132 1.00 0.26 O ATOM 101 CB GLU A 7 0.612 9.553 3.280 1.00 0.31 C ATOM 102 CG GLU A 7 0.712 10.902 3.944 1.00 0.40 C ATOM 103 CD GLU A 7 2.125 11.431 3.962 1.00 0.51 C ATOM 104 OE1 GLU A 7 2.577 11.895 2.896 1.00 0.68 O ATOM 105 OE2 GLU A 7 2.782 11.379 5.017 1.00 0.53 O ATOM 0 H GLU A 7 -0.835 9.160 5.193 1.00 0.30 H new ATOM 0 HA GLU A 7 -1.423 9.795 2.588 1.00 0.29 H new ATOM 0 HB2 GLU A 7 1.172 8.826 3.868 1.00 0.31 H new ATOM 0 HB3 GLU A 7 1.087 9.604 2.300 1.00 0.31 H new ATOM 0 HG2 GLU A 7 0.069 11.610 3.421 1.00 0.40 H new ATOM 0 HG3 GLU A 7 0.341 10.829 4.966 1.00 0.40 H new ATOM 112 N LEU A 8 -0.259 6.732 2.890 1.00 0.26 N ATOM 113 CA LEU A 8 -0.192 5.423 2.286 1.00 0.27 C ATOM 114 C LEU A 8 -1.529 5.047 1.661 1.00 0.28 C ATOM 115 O LEU A 8 -1.583 4.611 0.516 1.00 0.40 O ATOM 116 CB LEU A 8 0.203 4.424 3.370 1.00 0.34 C ATOM 117 CG LEU A 8 1.676 4.456 3.820 1.00 0.41 C ATOM 118 CD1 LEU A 8 2.330 5.836 3.680 1.00 1.00 C ATOM 119 CD2 LEU A 8 1.796 3.967 5.255 1.00 1.16 C ATOM 0 H LEU A 8 0.144 6.771 3.826 1.00 0.26 H new ATOM 0 HA LEU A 8 0.549 5.417 1.486 1.00 0.27 H new ATOM 0 HB2 LEU A 8 -0.426 4.599 4.243 1.00 0.34 H new ATOM 0 HB3 LEU A 8 -0.024 3.420 3.010 1.00 0.34 H new ATOM 0 HG LEU A 8 2.216 3.788 3.149 1.00 0.41 H new ATOM 0 HD11 LEU A 8 3.366 5.783 4.015 1.00 1.00 H new ATOM 0 HD12 LEU A 8 2.302 6.148 2.636 1.00 1.00 H new ATOM 0 HD13 LEU A 8 1.788 6.559 4.289 1.00 1.00 H new ATOM 0 HD21 LEU A 8 2.841 3.994 5.562 1.00 1.16 H new ATOM 0 HD22 LEU A 8 1.209 4.611 5.909 1.00 1.16 H new ATOM 0 HD23 LEU A 8 1.424 2.945 5.323 1.00 1.16 H new ATOM 131 N VAL A 9 -2.604 5.273 2.399 1.00 0.23 N ATOM 132 CA VAL A 9 -3.933 4.980 1.906 1.00 0.23 C ATOM 133 C VAL A 9 -4.297 5.935 0.776 1.00 0.23 C ATOM 134 O VAL A 9 -4.509 5.524 -0.363 1.00 0.24 O ATOM 135 CB VAL A 9 -4.963 5.110 3.043 1.00 0.25 C ATOM 136 CG1 VAL A 9 -6.382 4.969 2.522 1.00 0.26 C ATOM 137 CG2 VAL A 9 -4.679 4.079 4.123 1.00 0.27 C ATOM 0 H VAL A 9 -2.578 5.659 3.343 1.00 0.23 H new ATOM 0 HA VAL A 9 -3.945 3.958 1.528 1.00 0.23 H new ATOM 0 HB VAL A 9 -4.871 6.106 3.475 1.00 0.25 H new ATOM 0 HG11 VAL A 9 -7.085 5.066 3.350 1.00 0.26 H new ATOM 0 HG12 VAL A 9 -6.579 5.749 1.786 1.00 0.26 H new ATOM 0 HG13 VAL A 9 -6.503 3.991 2.056 1.00 0.26 H new ATOM 0 HG21 VAL A 9 -5.413 4.179 4.923 1.00 0.27 H new ATOM 0 HG22 VAL A 9 -4.741 3.078 3.696 1.00 0.27 H new ATOM 0 HG23 VAL A 9 -3.679 4.240 4.526 1.00 0.27 H new ATOM 147 N VAL A 10 -4.326 7.212 1.114 1.00 0.23 N ATOM 148 CA VAL A 10 -4.782 8.268 0.218 1.00 0.25 C ATOM 149 C VAL A 10 -4.094 8.223 -1.140 1.00 0.25 C ATOM 150 O VAL A 10 -4.757 8.208 -2.181 1.00 0.27 O ATOM 151 CB VAL A 10 -4.532 9.631 0.872 1.00 0.28 C ATOM 152 CG1 VAL A 10 -4.984 10.768 -0.012 1.00 0.33 C ATOM 153 CG2 VAL A 10 -5.241 9.681 2.198 1.00 0.32 C ATOM 0 H VAL A 10 -4.031 7.552 2.029 1.00 0.23 H new ATOM 0 HA VAL A 10 -5.847 8.112 0.046 1.00 0.25 H new ATOM 0 HB VAL A 10 -3.459 9.749 1.023 1.00 0.28 H new ATOM 0 HG11 VAL A 10 -4.789 11.717 0.488 1.00 0.33 H new ATOM 0 HG12 VAL A 10 -4.437 10.736 -0.955 1.00 0.33 H new ATOM 0 HG13 VAL A 10 -6.052 10.674 -0.208 1.00 0.33 H new ATOM 0 HG21 VAL A 10 -5.066 10.649 2.668 1.00 0.32 H new ATOM 0 HG22 VAL A 10 -6.311 9.540 2.044 1.00 0.32 H new ATOM 0 HG23 VAL A 10 -4.860 8.890 2.844 1.00 0.32 H new ATOM 163 N ASP A 11 -2.771 8.197 -1.121 1.00 0.26 N ATOM 164 CA ASP A 11 -1.991 8.237 -2.350 1.00 0.28 C ATOM 165 C ASP A 11 -2.338 7.067 -3.257 1.00 0.31 C ATOM 166 O ASP A 11 -2.375 7.206 -4.483 1.00 0.35 O ATOM 167 CB ASP A 11 -0.495 8.225 -2.042 1.00 0.32 C ATOM 168 CG ASP A 11 0.341 8.341 -3.299 1.00 0.39 C ATOM 169 OD1 ASP A 11 0.443 9.452 -3.854 1.00 0.59 O ATOM 170 OD2 ASP A 11 0.913 7.314 -3.728 1.00 0.49 O ATOM 0 H ASP A 11 -2.214 8.148 -0.268 1.00 0.26 H new ATOM 0 HA ASP A 11 -2.239 9.164 -2.867 1.00 0.28 H new ATOM 0 HB2 ASP A 11 -0.256 9.049 -1.370 1.00 0.32 H new ATOM 0 HB3 ASP A 11 -0.239 7.303 -1.520 1.00 0.32 H new ATOM 175 N PHE A 12 -2.624 5.922 -2.657 1.00 0.32 N ATOM 176 CA PHE A 12 -2.903 4.734 -3.434 1.00 0.38 C ATOM 177 C PHE A 12 -4.308 4.771 -4.007 1.00 0.34 C ATOM 178 O PHE A 12 -4.516 4.351 -5.145 1.00 0.39 O ATOM 179 CB PHE A 12 -2.718 3.468 -2.615 1.00 0.46 C ATOM 180 CG PHE A 12 -2.585 2.247 -3.478 1.00 0.76 C ATOM 181 CD1 PHE A 12 -1.398 1.989 -4.146 1.00 1.24 C ATOM 182 CD2 PHE A 12 -3.642 1.372 -3.636 1.00 0.98 C ATOM 183 CE1 PHE A 12 -1.268 0.876 -4.951 1.00 1.61 C ATOM 184 CE2 PHE A 12 -3.517 0.259 -4.442 1.00 1.38 C ATOM 185 CZ PHE A 12 -2.329 0.010 -5.099 1.00 1.61 C ATOM 0 H PHE A 12 -2.668 5.795 -1.646 1.00 0.32 H new ATOM 0 HA PHE A 12 -2.185 4.720 -4.254 1.00 0.38 H new ATOM 0 HB2 PHE A 12 -1.830 3.568 -1.991 1.00 0.46 H new ATOM 0 HB3 PHE A 12 -3.567 3.345 -1.943 1.00 0.46 H new ATOM 0 HD1 PHE A 12 -0.565 2.667 -4.035 1.00 1.24 H new ATOM 0 HD2 PHE A 12 -4.574 1.561 -3.124 1.00 0.98 H new ATOM 0 HE1 PHE A 12 -0.337 0.684 -5.464 1.00 1.61 H new ATOM 0 HE2 PHE A 12 -4.350 -0.418 -4.559 1.00 1.38 H new ATOM 0 HZ PHE A 12 -2.231 -0.862 -5.728 1.00 1.61 H new ATOM 195 N LEU A 13 -5.280 5.271 -3.241 1.00 0.28 N ATOM 196 CA LEU A 13 -6.623 5.417 -3.780 1.00 0.28 C ATOM 197 C LEU A 13 -6.586 6.334 -4.996 1.00 0.30 C ATOM 198 O LEU A 13 -7.244 6.072 -6.002 1.00 0.34 O ATOM 199 CB LEU A 13 -7.612 5.937 -2.727 1.00 0.25 C ATOM 200 CG LEU A 13 -8.204 4.859 -1.809 1.00 0.26 C ATOM 201 CD1 LEU A 13 -7.256 4.495 -0.692 1.00 0.26 C ATOM 202 CD2 LEU A 13 -9.541 5.300 -1.245 1.00 0.27 C ATOM 0 H LEU A 13 -5.164 5.572 -2.274 1.00 0.28 H new ATOM 0 HA LEU A 13 -6.979 4.432 -4.083 1.00 0.28 H new ATOM 0 HB2 LEU A 13 -7.107 6.681 -2.111 1.00 0.25 H new ATOM 0 HB3 LEU A 13 -8.429 6.448 -3.237 1.00 0.25 H new ATOM 0 HG LEU A 13 -8.361 3.968 -2.417 1.00 0.26 H new ATOM 0 HD11 LEU A 13 -7.711 3.729 -0.064 1.00 0.26 H new ATOM 0 HD12 LEU A 13 -6.326 4.113 -1.114 1.00 0.26 H new ATOM 0 HD13 LEU A 13 -7.045 5.379 -0.091 1.00 0.26 H new ATOM 0 HD21 LEU A 13 -9.939 4.518 -0.598 1.00 0.27 H new ATOM 0 HD22 LEU A 13 -9.409 6.216 -0.668 1.00 0.27 H new ATOM 0 HD23 LEU A 13 -10.238 5.484 -2.063 1.00 0.27 H new ATOM 214 N SER A 14 -5.765 7.375 -4.913 1.00 0.29 N ATOM 215 CA SER A 14 -5.547 8.281 -6.035 1.00 0.33 C ATOM 216 C SER A 14 -4.966 7.528 -7.227 1.00 0.37 C ATOM 217 O SER A 14 -5.417 7.681 -8.365 1.00 0.42 O ATOM 218 CB SER A 14 -4.598 9.408 -5.616 1.00 0.33 C ATOM 219 OG SER A 14 -4.390 10.325 -6.676 1.00 1.05 O ATOM 0 H SER A 14 -5.236 7.613 -4.074 1.00 0.29 H new ATOM 0 HA SER A 14 -6.506 8.708 -6.329 1.00 0.33 H new ATOM 0 HB2 SER A 14 -5.010 9.932 -4.754 1.00 0.33 H new ATOM 0 HB3 SER A 14 -3.643 8.985 -5.305 1.00 0.33 H new ATOM 0 HG SER A 14 -4.617 11.230 -6.375 1.00 1.05 H new ATOM 225 N TYR A 15 -3.973 6.700 -6.943 1.00 0.37 N ATOM 226 CA TYR A 15 -3.285 5.924 -7.962 1.00 0.45 C ATOM 227 C TYR A 15 -4.247 4.959 -8.661 1.00 0.43 C ATOM 228 O TYR A 15 -4.103 4.671 -9.851 1.00 0.55 O ATOM 229 CB TYR A 15 -2.127 5.165 -7.303 1.00 0.52 C ATOM 230 CG TYR A 15 -1.254 4.385 -8.255 1.00 0.67 C ATOM 231 CD1 TYR A 15 -0.751 4.967 -9.412 1.00 0.72 C ATOM 232 CD2 TYR A 15 -0.925 3.063 -7.989 1.00 0.89 C ATOM 233 CE1 TYR A 15 0.054 4.253 -10.276 1.00 0.89 C ATOM 234 CE2 TYR A 15 -0.119 2.344 -8.847 1.00 1.06 C ATOM 235 CZ TYR A 15 0.369 2.941 -9.988 1.00 1.03 C ATOM 236 OH TYR A 15 1.171 2.224 -10.845 1.00 1.22 O ATOM 0 H TYR A 15 -3.621 6.547 -5.998 1.00 0.37 H new ATOM 0 HA TYR A 15 -2.892 6.595 -8.726 1.00 0.45 H new ATOM 0 HB2 TYR A 15 -1.504 5.879 -6.764 1.00 0.52 H new ATOM 0 HB3 TYR A 15 -2.537 4.478 -6.563 1.00 0.52 H new ATOM 0 HD1 TYR A 15 -0.994 5.995 -9.639 1.00 0.72 H new ATOM 0 HD2 TYR A 15 -1.306 2.590 -7.096 1.00 0.89 H new ATOM 0 HE1 TYR A 15 0.435 4.719 -11.173 1.00 0.89 H new ATOM 0 HE2 TYR A 15 0.128 1.317 -8.625 1.00 1.06 H new ATOM 0 HH TYR A 15 1.296 1.317 -10.495 1.00 1.22 H new ATOM 246 N LYS A 16 -5.232 4.468 -7.918 1.00 0.33 N ATOM 247 CA LYS A 16 -6.214 3.552 -8.453 1.00 0.33 C ATOM 248 C LYS A 16 -7.205 4.222 -9.396 1.00 0.33 C ATOM 249 O LYS A 16 -7.511 3.680 -10.454 1.00 0.42 O ATOM 250 CB LYS A 16 -6.944 2.881 -7.298 1.00 0.34 C ATOM 251 CG LYS A 16 -6.046 1.975 -6.480 1.00 0.61 C ATOM 252 CD LYS A 16 -5.902 0.605 -7.119 1.00 0.57 C ATOM 253 CE LYS A 16 -5.281 0.660 -8.508 1.00 1.18 C ATOM 254 NZ LYS A 16 -4.857 -0.678 -8.991 1.00 1.41 N ATOM 0 H LYS A 16 -5.366 4.696 -6.933 1.00 0.33 H new ATOM 0 HA LYS A 16 -5.685 2.810 -9.051 1.00 0.33 H new ATOM 0 HB2 LYS A 16 -7.368 3.647 -6.648 1.00 0.34 H new ATOM 0 HB3 LYS A 16 -7.778 2.299 -7.691 1.00 0.34 H new ATOM 0 HG2 LYS A 16 -5.063 2.434 -6.376 1.00 0.61 H new ATOM 0 HG3 LYS A 16 -6.455 1.867 -5.475 1.00 0.61 H new ATOM 0 HD2 LYS A 16 -5.288 -0.027 -6.477 1.00 0.57 H new ATOM 0 HD3 LYS A 16 -6.883 0.135 -7.184 1.00 0.57 H new ATOM 0 HE2 LYS A 16 -6.000 1.085 -9.208 1.00 1.18 H new ATOM 0 HE3 LYS A 16 -4.419 1.327 -8.492 1.00 1.18 H new ATOM 0 HZ1 LYS A 16 -4.958 -0.722 -10.025 1.00 1.41 H new ATOM 0 HZ2 LYS A 16 -3.863 -0.841 -8.733 1.00 1.41 H new ATOM 0 HZ3 LYS A 16 -5.453 -1.410 -8.554 1.00 1.41 H new ATOM 268 N LEU A 17 -7.706 5.393 -9.028 1.00 0.33 N ATOM 269 CA LEU A 17 -8.692 6.083 -9.865 1.00 0.32 C ATOM 270 C LEU A 17 -8.089 6.484 -11.211 1.00 0.35 C ATOM 271 O LEU A 17 -8.809 6.641 -12.200 1.00 0.36 O ATOM 272 CB LEU A 17 -9.264 7.324 -9.167 1.00 0.35 C ATOM 273 CG LEU A 17 -10.323 7.070 -8.083 1.00 0.53 C ATOM 274 CD1 LEU A 17 -10.784 5.621 -8.072 1.00 1.35 C ATOM 275 CD2 LEU A 17 -9.787 7.481 -6.727 1.00 1.15 C ATOM 0 H LEU A 17 -7.454 5.884 -8.170 1.00 0.33 H new ATOM 0 HA LEU A 17 -9.506 5.379 -10.035 1.00 0.32 H new ATOM 0 HB2 LEU A 17 -8.438 7.874 -8.716 1.00 0.35 H new ATOM 0 HB3 LEU A 17 -9.701 7.972 -9.926 1.00 0.35 H new ATOM 0 HG LEU A 17 -11.196 7.679 -8.315 1.00 0.53 H new ATOM 0 HD11 LEU A 17 -11.532 5.483 -7.292 1.00 1.35 H new ATOM 0 HD12 LEU A 17 -11.218 5.370 -9.040 1.00 1.35 H new ATOM 0 HD13 LEU A 17 -9.932 4.970 -7.877 1.00 1.35 H new ATOM 0 HD21 LEU A 17 -10.545 7.297 -5.965 1.00 1.15 H new ATOM 0 HD22 LEU A 17 -8.894 6.900 -6.498 1.00 1.15 H new ATOM 0 HD23 LEU A 17 -9.536 8.542 -6.741 1.00 1.15 H new ATOM 287 N SER A 18 -6.770 6.627 -11.242 1.00 0.41 N ATOM 288 CA SER A 18 -6.059 7.028 -12.452 1.00 0.48 C ATOM 289 C SER A 18 -6.320 6.055 -13.607 1.00 0.51 C ATOM 290 O SER A 18 -6.613 6.478 -14.725 1.00 0.58 O ATOM 291 CB SER A 18 -4.557 7.126 -12.170 1.00 0.57 C ATOM 292 OG SER A 18 -3.861 7.696 -13.268 1.00 0.94 O ATOM 0 H SER A 18 -6.165 6.470 -10.436 1.00 0.41 H new ATOM 0 HA SER A 18 -6.433 8.007 -12.752 1.00 0.48 H new ATOM 0 HB2 SER A 18 -4.391 7.731 -11.278 1.00 0.57 H new ATOM 0 HB3 SER A 18 -4.159 6.133 -11.960 1.00 0.57 H new ATOM 0 HG SER A 18 -2.905 7.747 -13.058 1.00 0.94 H new ATOM 298 N GLN A 19 -6.255 4.754 -13.329 1.00 0.52 N ATOM 299 CA GLN A 19 -6.427 3.738 -14.371 1.00 0.57 C ATOM 300 C GLN A 19 -7.892 3.560 -14.753 1.00 0.51 C ATOM 301 O GLN A 19 -8.231 2.733 -15.595 1.00 0.59 O ATOM 302 CB GLN A 19 -5.862 2.398 -13.922 1.00 0.68 C ATOM 303 CG GLN A 19 -6.466 1.911 -12.630 1.00 0.84 C ATOM 304 CD GLN A 19 -6.104 0.478 -12.306 1.00 0.97 C ATOM 305 OE1 GLN A 19 -5.104 0.209 -11.645 1.00 1.37 O ATOM 306 NE2 GLN A 19 -6.926 -0.450 -12.766 1.00 1.19 N ATOM 0 H GLN A 19 -6.085 4.378 -12.396 1.00 0.52 H new ATOM 0 HA GLN A 19 -5.880 4.090 -15.246 1.00 0.57 H new ATOM 0 HB2 GLN A 19 -6.037 1.656 -14.701 1.00 0.68 H new ATOM 0 HB3 GLN A 19 -4.782 2.486 -13.802 1.00 0.68 H new ATOM 0 HG2 GLN A 19 -6.135 2.556 -11.816 1.00 0.84 H new ATOM 0 HG3 GLN A 19 -7.551 2.001 -12.687 1.00 0.84 H new ATOM 0 HE21 GLN A 19 -7.745 -0.181 -13.311 1.00 1.19 H new ATOM 0 HE22 GLN A 19 -6.741 -1.435 -12.576 1.00 1.19 H new ATOM 315 N LYS A 20 -8.754 4.325 -14.114 1.00 0.45 N ATOM 316 CA LYS A 20 -10.187 4.235 -14.354 1.00 0.49 C ATOM 317 C LYS A 20 -10.651 5.476 -15.072 1.00 0.48 C ATOM 318 O LYS A 20 -11.629 5.466 -15.819 1.00 0.53 O ATOM 319 CB LYS A 20 -10.927 4.096 -13.027 1.00 0.57 C ATOM 320 CG LYS A 20 -10.199 3.224 -12.035 1.00 0.49 C ATOM 321 CD LYS A 20 -10.030 1.812 -12.554 1.00 1.20 C ATOM 322 CE LYS A 20 -11.359 1.227 -13.012 1.00 1.75 C ATOM 323 NZ LYS A 20 -11.200 -0.125 -13.606 1.00 2.20 N ATOM 0 H LYS A 20 -8.488 5.022 -13.419 1.00 0.45 H new ATOM 0 HA LYS A 20 -10.398 3.360 -14.969 1.00 0.49 H new ATOM 0 HB2 LYS A 20 -11.074 5.085 -12.594 1.00 0.57 H new ATOM 0 HB3 LYS A 20 -11.917 3.679 -13.211 1.00 0.57 H new ATOM 0 HG2 LYS A 20 -9.220 3.654 -11.822 1.00 0.49 H new ATOM 0 HG3 LYS A 20 -10.750 3.203 -11.095 1.00 0.49 H new ATOM 0 HD2 LYS A 20 -9.324 1.810 -13.384 1.00 1.20 H new ATOM 0 HD3 LYS A 20 -9.604 1.184 -11.772 1.00 1.20 H new ATOM 0 HE2 LYS A 20 -12.042 1.172 -12.164 1.00 1.75 H new ATOM 0 HE3 LYS A 20 -11.814 1.893 -13.745 1.00 1.75 H new ATOM 0 HZ1 LYS A 20 -12.129 -0.485 -13.904 1.00 2.20 H new ATOM 0 HZ2 LYS A 20 -10.569 -0.070 -14.431 1.00 2.20 H new ATOM 0 HZ3 LYS A 20 -10.790 -0.769 -12.899 1.00 2.20 H new ATOM 337 N GLY A 21 -9.926 6.544 -14.821 1.00 0.45 N ATOM 338 CA GLY A 21 -10.206 7.810 -15.453 1.00 0.49 C ATOM 339 C GLY A 21 -10.936 8.740 -14.517 1.00 0.47 C ATOM 340 O GLY A 21 -11.633 9.661 -14.945 1.00 0.53 O ATOM 0 H GLY A 21 -9.134 6.558 -14.179 1.00 0.45 H new ATOM 0 HA2 GLY A 21 -9.273 8.273 -15.774 1.00 0.49 H new ATOM 0 HA3 GLY A 21 -10.806 7.647 -16.348 1.00 0.49 H new ATOM 344 N TYR A 22 -10.774 8.485 -13.228 1.00 0.40 N ATOM 345 CA TYR A 22 -11.387 9.304 -12.202 1.00 0.37 C ATOM 346 C TYR A 22 -10.323 9.989 -11.367 1.00 0.36 C ATOM 347 O TYR A 22 -9.144 9.641 -11.441 1.00 0.38 O ATOM 348 CB TYR A 22 -12.296 8.463 -11.306 1.00 0.34 C ATOM 349 CG TYR A 22 -13.570 8.026 -11.997 1.00 0.38 C ATOM 350 CD1 TYR A 22 -13.587 6.906 -12.819 1.00 0.50 C ATOM 351 CD2 TYR A 22 -14.757 8.729 -11.822 1.00 0.50 C ATOM 352 CE1 TYR A 22 -14.747 6.499 -13.448 1.00 0.60 C ATOM 353 CE2 TYR A 22 -15.921 8.328 -12.447 1.00 0.62 C ATOM 354 CZ TYR A 22 -15.911 7.233 -13.272 1.00 0.62 C ATOM 355 OH TYR A 22 -17.069 6.810 -13.885 1.00 0.76 O ATOM 0 H TYR A 22 -10.217 7.709 -12.869 1.00 0.40 H new ATOM 0 HA TYR A 22 -11.994 10.064 -12.693 1.00 0.37 H new ATOM 0 HB2 TYR A 22 -11.751 7.581 -10.971 1.00 0.34 H new ATOM 0 HB3 TYR A 22 -12.551 9.038 -10.416 1.00 0.34 H new ATOM 0 HD1 TYR A 22 -12.677 6.344 -12.969 1.00 0.50 H new ATOM 0 HD2 TYR A 22 -14.769 9.603 -11.187 1.00 0.50 H new ATOM 0 HE1 TYR A 22 -14.748 5.617 -14.071 1.00 0.60 H new ATOM 0 HE2 TYR A 22 -16.838 8.876 -12.286 1.00 0.62 H new ATOM 0 HH TYR A 22 -17.799 7.426 -13.666 1.00 0.76 H new ATOM 365 N SER A 23 -10.739 10.963 -10.583 1.00 0.37 N ATOM 366 CA SER A 23 -9.823 11.688 -9.732 1.00 0.39 C ATOM 367 C SER A 23 -10.081 11.344 -8.279 1.00 0.35 C ATOM 368 O SER A 23 -11.216 11.081 -7.885 1.00 0.34 O ATOM 369 CB SER A 23 -9.999 13.186 -9.937 1.00 0.45 C ATOM 370 OG SER A 23 -8.876 13.914 -9.472 1.00 0.52 O ATOM 0 H SER A 23 -11.710 11.270 -10.519 1.00 0.37 H new ATOM 0 HA SER A 23 -8.803 11.405 -9.993 1.00 0.39 H new ATOM 0 HB2 SER A 23 -10.154 13.393 -10.996 1.00 0.45 H new ATOM 0 HB3 SER A 23 -10.893 13.522 -9.413 1.00 0.45 H new ATOM 0 HG SER A 23 -9.022 14.872 -9.621 1.00 0.52 H new ATOM 376 N TRP A 24 -9.031 11.351 -7.488 1.00 0.37 N ATOM 377 CA TRP A 24 -9.155 11.099 -6.070 1.00 0.36 C ATOM 378 C TRP A 24 -9.690 12.338 -5.360 1.00 0.35 C ATOM 379 O TRP A 24 -10.642 12.246 -4.589 1.00 0.34 O ATOM 380 CB TRP A 24 -7.803 10.630 -5.511 1.00 0.45 C ATOM 381 CG TRP A 24 -7.362 11.277 -4.233 1.00 0.43 C ATOM 382 CD1 TRP A 24 -7.827 11.021 -2.978 1.00 0.96 C ATOM 383 CD2 TRP A 24 -6.333 12.263 -4.087 1.00 1.27 C ATOM 384 NE1 TRP A 24 -7.173 11.810 -2.065 1.00 0.61 N ATOM 385 CE2 TRP A 24 -6.245 12.576 -2.721 1.00 1.10 C ATOM 386 CE3 TRP A 24 -5.482 12.917 -4.983 1.00 2.43 C ATOM 387 CZ2 TRP A 24 -5.342 13.513 -2.229 1.00 2.00 C ATOM 388 CZ3 TRP A 24 -4.584 13.845 -4.494 1.00 3.36 C ATOM 389 CH2 TRP A 24 -4.520 14.135 -3.128 1.00 3.13 C ATOM 0 H TRP A 24 -8.078 11.529 -7.805 1.00 0.37 H new ATOM 0 HA TRP A 24 -9.875 10.301 -5.893 1.00 0.36 H new ATOM 0 HB2 TRP A 24 -7.852 9.553 -5.352 1.00 0.45 H new ATOM 0 HB3 TRP A 24 -7.038 10.806 -6.267 1.00 0.45 H new ATOM 0 HD1 TRP A 24 -8.597 10.303 -2.737 1.00 0.96 H new ATOM 0 HE1 TRP A 24 -7.349 11.824 -1.060 1.00 0.61 H new ATOM 0 HE3 TRP A 24 -5.526 12.700 -6.040 1.00 2.43 H new ATOM 0 HZ2 TRP A 24 -5.292 13.741 -1.175 1.00 2.00 H new ATOM 0 HZ3 TRP A 24 -3.921 14.355 -5.177 1.00 3.36 H new ATOM 0 HH2 TRP A 24 -3.807 14.865 -2.775 1.00 3.13 H new ATOM 400 N SER A 25 -9.117 13.500 -5.660 1.00 0.39 N ATOM 401 CA SER A 25 -9.523 14.740 -5.008 1.00 0.44 C ATOM 402 C SER A 25 -10.986 15.079 -5.295 1.00 0.43 C ATOM 403 O SER A 25 -11.682 15.580 -4.420 1.00 0.49 O ATOM 404 CB SER A 25 -8.632 15.898 -5.445 1.00 0.53 C ATOM 405 OG SER A 25 -7.266 15.621 -5.186 1.00 1.37 O ATOM 0 H SER A 25 -8.372 13.608 -6.348 1.00 0.39 H new ATOM 0 HA SER A 25 -9.413 14.587 -3.934 1.00 0.44 H new ATOM 0 HB2 SER A 25 -8.772 16.086 -6.509 1.00 0.53 H new ATOM 0 HB3 SER A 25 -8.928 16.806 -4.919 1.00 0.53 H new ATOM 0 HG SER A 25 -7.166 14.680 -4.931 1.00 1.37 H new ATOM 411 N GLN A 26 -11.456 14.783 -6.512 1.00 0.40 N ATOM 412 CA GLN A 26 -12.840 15.096 -6.891 1.00 0.42 C ATOM 413 C GLN A 26 -13.847 14.493 -5.917 1.00 0.38 C ATOM 414 O GLN A 26 -14.952 15.013 -5.747 1.00 0.41 O ATOM 415 CB GLN A 26 -13.148 14.591 -8.300 1.00 0.47 C ATOM 416 CG GLN A 26 -12.467 15.379 -9.400 1.00 0.59 C ATOM 417 CD GLN A 26 -12.785 14.836 -10.780 1.00 0.73 C ATOM 418 OE1 GLN A 26 -13.031 13.641 -10.948 1.00 1.11 O ATOM 419 NE2 GLN A 26 -12.767 15.703 -11.776 1.00 1.10 N ATOM 0 H GLN A 26 -10.907 14.333 -7.244 1.00 0.40 H new ATOM 0 HA GLN A 26 -12.933 16.182 -6.862 1.00 0.42 H new ATOM 0 HB2 GLN A 26 -12.845 13.547 -8.375 1.00 0.47 H new ATOM 0 HB3 GLN A 26 -14.226 14.623 -8.459 1.00 0.47 H new ATOM 0 HG2 GLN A 26 -12.778 16.422 -9.342 1.00 0.59 H new ATOM 0 HG3 GLN A 26 -11.388 15.359 -9.244 1.00 0.59 H new ATOM 0 HE21 GLN A 26 -12.559 16.685 -11.594 1.00 1.10 H new ATOM 0 HE22 GLN A 26 -12.962 15.391 -12.727 1.00 1.10 H new ATOM 428 N PHE A 27 -13.470 13.391 -5.290 1.00 0.35 N ATOM 429 CA PHE A 27 -14.376 12.675 -4.414 1.00 0.38 C ATOM 430 C PHE A 27 -13.872 12.666 -2.975 1.00 0.43 C ATOM 431 O PHE A 27 -14.623 12.363 -2.047 1.00 0.67 O ATOM 432 CB PHE A 27 -14.544 11.250 -4.936 1.00 0.43 C ATOM 433 CG PHE A 27 -14.945 11.207 -6.384 1.00 0.67 C ATOM 434 CD1 PHE A 27 -16.116 11.808 -6.810 1.00 0.85 C ATOM 435 CD2 PHE A 27 -14.158 10.546 -7.315 1.00 0.94 C ATOM 436 CE1 PHE A 27 -16.497 11.756 -8.137 1.00 1.16 C ATOM 437 CE2 PHE A 27 -14.535 10.488 -8.642 1.00 1.20 C ATOM 438 CZ PHE A 27 -15.667 11.159 -9.067 1.00 1.28 C ATOM 0 H PHE A 27 -12.543 12.975 -5.373 1.00 0.35 H new ATOM 0 HA PHE A 27 -15.340 13.183 -4.411 1.00 0.38 H new ATOM 0 HB2 PHE A 27 -13.608 10.707 -4.806 1.00 0.43 H new ATOM 0 HB3 PHE A 27 -15.297 10.735 -4.339 1.00 0.43 H new ATOM 0 HD1 PHE A 27 -16.740 12.324 -6.096 1.00 0.85 H new ATOM 0 HD2 PHE A 27 -13.241 10.072 -6.999 1.00 0.94 H new ATOM 0 HE1 PHE A 27 -17.441 12.181 -8.447 1.00 1.16 H new ATOM 0 HE2 PHE A 27 -13.947 9.919 -9.347 1.00 1.20 H new ATOM 0 HZ PHE A 27 -15.901 11.216 -10.120 1.00 1.28 H new ATOM 448 N SER A 28 -12.606 13.009 -2.792 1.00 0.39 N ATOM 449 CA SER A 28 -11.989 12.959 -1.476 1.00 0.42 C ATOM 450 C SER A 28 -11.889 14.325 -0.828 1.00 0.58 C ATOM 451 O SER A 28 -11.819 15.350 -1.494 1.00 1.01 O ATOM 452 CB SER A 28 -10.609 12.332 -1.559 1.00 0.62 C ATOM 453 OG SER A 28 -10.685 11.022 -2.093 1.00 1.81 O ATOM 0 H SER A 28 -11.986 13.325 -3.538 1.00 0.39 H new ATOM 0 HA SER A 28 -12.637 12.344 -0.851 1.00 0.42 H new ATOM 0 HB2 SER A 28 -9.962 12.948 -2.183 1.00 0.62 H new ATOM 0 HB3 SER A 28 -10.158 12.300 -0.567 1.00 0.62 H new ATOM 0 HG SER A 28 -10.694 11.068 -3.072 1.00 1.81 H new ATOM 459 N ASP A 29 -11.870 14.296 0.486 1.00 0.63 N ATOM 460 CA ASP A 29 -11.778 15.488 1.311 1.00 0.84 C ATOM 461 C ASP A 29 -10.606 15.358 2.275 1.00 0.88 C ATOM 462 O ASP A 29 -10.146 16.335 2.866 1.00 1.03 O ATOM 463 CB ASP A 29 -13.090 15.635 2.076 1.00 1.04 C ATOM 464 CG ASP A 29 -12.997 16.533 3.294 1.00 1.69 C ATOM 465 OD1 ASP A 29 -12.683 16.024 4.393 1.00 2.31 O ATOM 466 OD2 ASP A 29 -13.250 17.743 3.166 1.00 1.85 O ATOM 0 H ASP A 29 -11.919 13.431 1.024 1.00 0.63 H new ATOM 0 HA ASP A 29 -11.610 16.371 0.694 1.00 0.84 H new ATOM 0 HB2 ASP A 29 -13.849 16.032 1.402 1.00 1.04 H new ATOM 0 HB3 ASP A 29 -13.428 14.648 2.390 1.00 1.04 H new ATOM 471 N VAL A 30 -10.083 14.144 2.323 1.00 0.80 N ATOM 472 CA VAL A 30 -9.156 13.687 3.354 1.00 0.82 C ATOM 473 C VAL A 30 -8.025 14.680 3.627 1.00 0.82 C ATOM 474 O VAL A 30 -8.008 15.330 4.674 1.00 0.92 O ATOM 475 CB VAL A 30 -8.591 12.307 2.953 1.00 0.81 C ATOM 476 CG1 VAL A 30 -9.636 11.229 3.194 1.00 0.89 C ATOM 477 CG2 VAL A 30 -8.173 12.303 1.487 1.00 0.76 C ATOM 0 H VAL A 30 -10.295 13.427 1.629 1.00 0.80 H new ATOM 0 HA VAL A 30 -9.713 13.606 4.287 1.00 0.82 H new ATOM 0 HB VAL A 30 -7.713 12.102 3.566 1.00 0.81 H new ATOM 0 HG11 VAL A 30 -9.230 10.258 2.909 1.00 0.89 H new ATOM 0 HG12 VAL A 30 -9.906 11.213 4.250 1.00 0.89 H new ATOM 0 HG13 VAL A 30 -10.522 11.441 2.596 1.00 0.89 H new ATOM 0 HG21 VAL A 30 -7.778 11.322 1.224 1.00 0.76 H new ATOM 0 HG22 VAL A 30 -9.038 12.525 0.862 1.00 0.76 H new ATOM 0 HG23 VAL A 30 -7.405 13.059 1.326 1.00 0.76 H new ATOM 487 N GLU A 31 -7.095 14.812 2.694 1.00 0.78 N ATOM 488 CA GLU A 31 -6.014 15.771 2.836 1.00 0.83 C ATOM 489 C GLU A 31 -6.344 17.019 2.033 1.00 0.88 C ATOM 490 O GLU A 31 -5.561 17.967 1.974 1.00 0.98 O ATOM 491 CB GLU A 31 -4.669 15.181 2.387 1.00 0.93 C ATOM 492 CG GLU A 31 -4.624 14.763 0.926 1.00 1.05 C ATOM 493 CD GLU A 31 -3.209 14.499 0.441 1.00 2.05 C ATOM 494 OE1 GLU A 31 -2.518 15.474 0.074 1.00 2.46 O ATOM 495 OE2 GLU A 31 -2.781 13.325 0.423 1.00 2.74 O ATOM 0 H GLU A 31 -7.068 14.267 1.832 1.00 0.78 H new ATOM 0 HA GLU A 31 -5.915 16.028 3.891 1.00 0.83 H new ATOM 0 HB2 GLU A 31 -3.885 15.917 2.566 1.00 0.93 H new ATOM 0 HB3 GLU A 31 -4.441 14.314 3.008 1.00 0.93 H new ATOM 0 HG2 GLU A 31 -5.225 13.864 0.790 1.00 1.05 H new ATOM 0 HG3 GLU A 31 -5.075 15.544 0.314 1.00 1.05 H new ATOM 502 N GLU A 32 -7.525 16.999 1.419 1.00 0.87 N ATOM 503 CA GLU A 32 -7.956 18.062 0.535 1.00 0.98 C ATOM 504 C GLU A 32 -8.173 19.364 1.294 1.00 1.09 C ATOM 505 O GLU A 32 -7.623 20.404 0.935 1.00 1.24 O ATOM 506 CB GLU A 32 -9.244 17.662 -0.195 1.00 0.98 C ATOM 507 CG GLU A 32 -9.914 18.831 -0.904 1.00 1.12 C ATOM 508 CD GLU A 32 -11.064 18.418 -1.794 1.00 1.20 C ATOM 509 OE1 GLU A 32 -10.819 18.069 -2.972 1.00 1.45 O ATOM 510 OE2 GLU A 32 -12.212 18.415 -1.314 1.00 1.17 O ATOM 0 H GLU A 32 -8.203 16.245 1.524 1.00 0.87 H new ATOM 0 HA GLU A 32 -7.164 18.224 -0.197 1.00 0.98 H new ATOM 0 HB2 GLU A 32 -9.015 16.885 -0.924 1.00 0.98 H new ATOM 0 HB3 GLU A 32 -9.942 17.231 0.522 1.00 0.98 H new ATOM 0 HG2 GLU A 32 -10.278 19.538 -0.158 1.00 1.12 H new ATOM 0 HG3 GLU A 32 -9.171 19.356 -1.504 1.00 1.12 H new ATOM 630 N THR A 41 6.357 12.727 5.717 1.00 1.12 N ATOM 631 CA THR A 41 7.496 12.680 6.615 1.00 0.86 C ATOM 632 C THR A 41 8.251 11.355 6.438 1.00 0.75 C ATOM 633 O THR A 41 9.343 11.330 5.867 1.00 0.85 O ATOM 634 CB THR A 41 7.084 12.909 8.093 1.00 0.80 C ATOM 635 OG1 THR A 41 8.110 12.457 8.985 1.00 0.95 O ATOM 636 CG2 THR A 41 5.771 12.228 8.432 1.00 0.91 C ATOM 0 HA THR A 41 8.166 13.499 6.353 1.00 0.86 H new ATOM 0 HB THR A 41 6.947 13.983 8.219 1.00 0.80 H new ATOM 0 HG1 THR A 41 7.830 12.613 9.911 1.00 0.95 H new ATOM 0 HG21 THR A 41 5.523 12.416 9.477 1.00 0.91 H new ATOM 0 HG22 THR A 41 4.981 12.624 7.794 1.00 0.91 H new ATOM 0 HG23 THR A 41 5.865 11.154 8.269 1.00 0.91 H new ATOM 644 N GLU A 42 7.669 10.255 6.902 1.00 0.69 N ATOM 645 CA GLU A 42 8.193 8.938 6.629 1.00 0.66 C ATOM 646 C GLU A 42 7.544 8.384 5.371 1.00 0.54 C ATOM 647 O GLU A 42 8.179 7.725 4.543 1.00 0.56 O ATOM 648 CB GLU A 42 7.896 8.015 7.818 1.00 0.74 C ATOM 649 CG GLU A 42 6.407 7.759 8.076 1.00 0.65 C ATOM 650 CD GLU A 42 5.618 9.002 8.376 1.00 1.20 C ATOM 651 OE1 GLU A 42 5.564 9.399 9.559 1.00 1.17 O ATOM 652 OE2 GLU A 42 5.055 9.585 7.434 1.00 2.02 O ATOM 0 H GLU A 42 6.825 10.259 7.475 1.00 0.69 H new ATOM 0 HA GLU A 42 9.271 8.997 6.479 1.00 0.66 H new ATOM 0 HB2 GLU A 42 8.391 7.059 7.650 1.00 0.74 H new ATOM 0 HB3 GLU A 42 8.337 8.449 8.716 1.00 0.74 H new ATOM 0 HG2 GLU A 42 5.976 7.269 7.203 1.00 0.65 H new ATOM 0 HG3 GLU A 42 6.307 7.067 8.912 1.00 0.65 H new ATOM 659 N SER A 43 6.271 8.710 5.241 1.00 0.48 N ATOM 660 CA SER A 43 5.376 8.073 4.302 1.00 0.43 C ATOM 661 C SER A 43 5.667 8.378 2.848 1.00 0.43 C ATOM 662 O SER A 43 5.275 7.605 1.988 1.00 0.49 O ATOM 663 CB SER A 43 3.953 8.472 4.622 1.00 0.50 C ATOM 664 OG SER A 43 3.564 7.970 5.885 1.00 1.25 O ATOM 0 H SER A 43 5.825 9.439 5.797 1.00 0.48 H new ATOM 0 HA SER A 43 5.529 7.000 4.419 1.00 0.43 H new ATOM 0 HB2 SER A 43 3.864 9.558 4.614 1.00 0.50 H new ATOM 0 HB3 SER A 43 3.282 8.092 3.852 1.00 0.50 H new ATOM 0 HG SER A 43 4.078 8.419 6.588 1.00 1.25 H new ATOM 670 N GLU A 44 6.316 9.487 2.552 1.00 0.46 N ATOM 671 CA GLU A 44 6.626 9.799 1.160 1.00 0.52 C ATOM 672 C GLU A 44 7.434 8.665 0.534 1.00 0.51 C ATOM 673 O GLU A 44 7.146 8.225 -0.575 1.00 0.58 O ATOM 674 CB GLU A 44 7.371 11.123 1.029 1.00 0.61 C ATOM 675 CG GLU A 44 7.680 11.489 -0.411 1.00 0.72 C ATOM 676 CD GLU A 44 8.503 12.752 -0.540 1.00 1.17 C ATOM 677 OE1 GLU A 44 7.946 13.860 -0.356 1.00 1.29 O ATOM 678 OE2 GLU A 44 9.706 12.642 -0.852 1.00 1.91 O ATOM 0 H GLU A 44 6.635 10.176 3.234 1.00 0.46 H new ATOM 0 HA GLU A 44 5.683 9.902 0.624 1.00 0.52 H new ATOM 0 HB2 GLU A 44 6.774 11.916 1.480 1.00 0.61 H new ATOM 0 HB3 GLU A 44 8.303 11.067 1.592 1.00 0.61 H new ATOM 0 HG2 GLU A 44 8.215 10.664 -0.882 1.00 0.72 H new ATOM 0 HG3 GLU A 44 6.745 11.615 -0.956 1.00 0.72 H new ATOM 685 N ALA A 45 8.423 8.171 1.268 1.00 0.48 N ATOM 686 CA ALA A 45 9.199 7.022 0.824 1.00 0.48 C ATOM 687 C ALA A 45 8.395 5.741 0.999 1.00 0.41 C ATOM 688 O ALA A 45 8.425 4.853 0.149 1.00 0.41 O ATOM 689 CB ALA A 45 10.509 6.937 1.591 1.00 0.52 C ATOM 0 H ALA A 45 8.706 8.548 2.172 1.00 0.48 H new ATOM 0 HA ALA A 45 9.427 7.146 -0.235 1.00 0.48 H new ATOM 0 HB1 ALA A 45 11.077 6.073 1.247 1.00 0.52 H new ATOM 0 HB2 ALA A 45 11.090 7.844 1.421 1.00 0.52 H new ATOM 0 HB3 ALA A 45 10.301 6.834 2.656 1.00 0.52 H new ATOM 695 N VAL A 46 7.673 5.667 2.109 1.00 0.37 N ATOM 696 CA VAL A 46 6.819 4.529 2.428 1.00 0.34 C ATOM 697 C VAL A 46 5.821 4.244 1.312 1.00 0.34 C ATOM 698 O VAL A 46 5.821 3.163 0.732 1.00 0.39 O ATOM 699 CB VAL A 46 6.050 4.824 3.715 1.00 0.49 C ATOM 700 CG1 VAL A 46 4.987 3.791 3.996 1.00 1.41 C ATOM 701 CG2 VAL A 46 6.979 4.953 4.893 1.00 1.13 C ATOM 0 H VAL A 46 7.663 6.400 2.819 1.00 0.37 H new ATOM 0 HA VAL A 46 7.456 3.653 2.549 1.00 0.34 H new ATOM 0 HB VAL A 46 5.549 5.780 3.563 1.00 0.49 H new ATOM 0 HG11 VAL A 46 4.469 4.045 4.921 1.00 1.41 H new ATOM 0 HG12 VAL A 46 4.272 3.771 3.173 1.00 1.41 H new ATOM 0 HG13 VAL A 46 5.451 2.810 4.098 1.00 1.41 H new ATOM 0 HG21 VAL A 46 6.400 5.163 5.792 1.00 1.13 H new ATOM 0 HG22 VAL A 46 7.530 4.022 5.025 1.00 1.13 H new ATOM 0 HG23 VAL A 46 7.681 5.768 4.715 1.00 1.13 H new ATOM 711 N LYS A 47 4.975 5.227 1.025 1.00 0.34 N ATOM 712 CA LYS A 47 3.941 5.092 0.010 1.00 0.36 C ATOM 713 C LYS A 47 4.592 4.804 -1.335 1.00 0.39 C ATOM 714 O LYS A 47 4.059 4.050 -2.147 1.00 0.43 O ATOM 715 CB LYS A 47 3.120 6.384 -0.079 1.00 0.38 C ATOM 716 CG LYS A 47 3.902 7.512 -0.719 1.00 0.49 C ATOM 717 CD LYS A 47 3.189 8.848 -0.673 1.00 0.47 C ATOM 718 CE LYS A 47 2.773 9.259 0.724 1.00 0.47 C ATOM 719 NZ LYS A 47 2.071 10.573 0.707 1.00 0.67 N ATOM 0 H LYS A 47 4.988 6.136 1.488 1.00 0.34 H new ATOM 0 HA LYS A 47 3.277 4.270 0.279 1.00 0.36 H new ATOM 0 HB2 LYS A 47 2.214 6.198 -0.656 1.00 0.38 H new ATOM 0 HB3 LYS A 47 2.806 6.683 0.921 1.00 0.38 H new ATOM 0 HG2 LYS A 47 4.865 7.606 -0.216 1.00 0.49 H new ATOM 0 HG3 LYS A 47 4.109 7.256 -1.758 1.00 0.49 H new ATOM 0 HD2 LYS A 47 3.842 9.615 -1.090 1.00 0.47 H new ATOM 0 HD3 LYS A 47 2.305 8.802 -1.309 1.00 0.47 H new ATOM 0 HE2 LYS A 47 2.119 8.499 1.151 1.00 0.47 H new ATOM 0 HE3 LYS A 47 3.652 9.320 1.366 1.00 0.47 H new ATOM 0 HZ1 LYS A 47 2.322 11.112 1.561 1.00 0.67 H new ATOM 0 HZ2 LYS A 47 2.358 11.109 -0.137 1.00 0.67 H new ATOM 0 HZ3 LYS A 47 1.043 10.417 0.685 1.00 0.67 H new ATOM 733 N GLN A 48 5.765 5.401 -1.551 1.00 0.40 N ATOM 734 CA GLN A 48 6.488 5.219 -2.791 1.00 0.46 C ATOM 735 C GLN A 48 6.968 3.787 -2.937 1.00 0.45 C ATOM 736 O GLN A 48 7.065 3.270 -4.042 1.00 0.50 O ATOM 737 CB GLN A 48 7.679 6.167 -2.902 1.00 0.52 C ATOM 738 CG GLN A 48 7.359 7.472 -3.608 1.00 0.58 C ATOM 739 CD GLN A 48 6.736 7.277 -4.983 1.00 0.67 C ATOM 740 OE1 GLN A 48 7.069 6.181 -5.653 1.00 0.99 O flip ATOM 741 NE2 GLN A 48 5.954 8.106 -5.440 1.00 0.63 N flip ATOM 0 H GLN A 48 6.227 6.013 -0.878 1.00 0.40 H new ATOM 0 HA GLN A 48 5.790 5.449 -3.596 1.00 0.46 H new ATOM 0 HB2 GLN A 48 8.050 6.388 -1.901 1.00 0.52 H new ATOM 0 HB3 GLN A 48 8.484 5.663 -3.437 1.00 0.52 H new ATOM 0 HG2 GLN A 48 6.678 8.055 -2.988 1.00 0.58 H new ATOM 0 HG3 GLN A 48 8.274 8.055 -3.711 1.00 0.58 H new ATOM 0 HE21 GLN A 48 5.719 8.938 -4.899 1.00 0.63 H new ATOM 0 HE22 GLN A 48 5.539 7.963 -6.361 1.00 0.63 H new ATOM 750 N ALA A 49 7.282 3.161 -1.816 1.00 0.42 N ATOM 751 CA ALA A 49 7.689 1.767 -1.808 1.00 0.41 C ATOM 752 C ALA A 49 6.471 0.862 -1.857 1.00 0.39 C ATOM 753 O ALA A 49 6.481 -0.190 -2.493 1.00 0.42 O ATOM 754 CB ALA A 49 8.509 1.470 -0.569 1.00 0.42 C ATOM 0 H ALA A 49 7.263 3.599 -0.895 1.00 0.42 H new ATOM 0 HA ALA A 49 8.301 1.577 -2.690 1.00 0.41 H new ATOM 0 HB1 ALA A 49 8.809 0.422 -0.574 1.00 0.42 H new ATOM 0 HB2 ALA A 49 9.397 2.101 -0.561 1.00 0.42 H new ATOM 0 HB3 ALA A 49 7.912 1.673 0.320 1.00 0.42 H new ATOM 760 N LEU A 50 5.411 1.298 -1.197 1.00 0.38 N ATOM 761 CA LEU A 50 4.186 0.524 -1.100 1.00 0.40 C ATOM 762 C LEU A 50 3.497 0.375 -2.450 1.00 0.41 C ATOM 763 O LEU A 50 2.738 -0.563 -2.653 1.00 0.43 O ATOM 764 CB LEU A 50 3.230 1.162 -0.093 1.00 0.45 C ATOM 765 CG LEU A 50 2.998 0.345 1.176 1.00 0.69 C ATOM 766 CD1 LEU A 50 4.270 0.253 1.993 1.00 1.33 C ATOM 767 CD2 LEU A 50 1.867 0.933 2.002 1.00 1.20 C ATOM 0 H LEU A 50 5.376 2.196 -0.715 1.00 0.38 H new ATOM 0 HA LEU A 50 4.460 -0.473 -0.756 1.00 0.40 H new ATOM 0 HB2 LEU A 50 3.620 2.140 0.188 1.00 0.45 H new ATOM 0 HB3 LEU A 50 2.270 1.330 -0.581 1.00 0.45 H new ATOM 0 HG LEU A 50 2.709 -0.664 0.881 1.00 0.69 H new ATOM 0 HD11 LEU A 50 4.083 -0.333 2.893 1.00 1.33 H new ATOM 0 HD12 LEU A 50 5.048 -0.229 1.401 1.00 1.33 H new ATOM 0 HD13 LEU A 50 4.595 1.255 2.274 1.00 1.33 H new ATOM 0 HD21 LEU A 50 1.722 0.333 2.900 1.00 1.20 H new ATOM 0 HD22 LEU A 50 2.117 1.955 2.285 1.00 1.20 H new ATOM 0 HD23 LEU A 50 0.949 0.933 1.414 1.00 1.20 H new ATOM 779 N ARG A 51 3.770 1.278 -3.380 1.00 0.44 N ATOM 780 CA ARG A 51 3.143 1.202 -4.692 1.00 0.50 C ATOM 781 C ARG A 51 3.963 0.287 -5.582 1.00 0.52 C ATOM 782 O ARG A 51 3.448 -0.348 -6.498 1.00 0.59 O ATOM 783 CB ARG A 51 3.023 2.588 -5.312 1.00 0.53 C ATOM 784 CG ARG A 51 4.282 3.410 -5.157 1.00 0.52 C ATOM 785 CD ARG A 51 4.259 4.649 -6.018 1.00 0.73 C ATOM 786 NE ARG A 51 3.128 5.527 -5.728 1.00 1.21 N ATOM 787 CZ ARG A 51 2.576 6.334 -6.630 1.00 1.63 C ATOM 788 NH1 ARG A 51 2.966 6.280 -7.897 1.00 1.96 N ATOM 789 NH2 ARG A 51 1.617 7.174 -6.268 1.00 2.17 N ATOM 0 H ARG A 51 4.412 2.061 -3.255 1.00 0.44 H new ATOM 0 HA ARG A 51 2.136 0.797 -4.587 1.00 0.50 H new ATOM 0 HB2 ARG A 51 2.788 2.488 -6.372 1.00 0.53 H new ATOM 0 HB3 ARG A 51 2.190 3.117 -4.849 1.00 0.53 H new ATOM 0 HG2 ARG A 51 4.401 3.697 -4.112 1.00 0.52 H new ATOM 0 HG3 ARG A 51 5.147 2.801 -5.421 1.00 0.52 H new ATOM 0 HD2 ARG A 51 5.187 5.202 -5.873 1.00 0.73 H new ATOM 0 HD3 ARG A 51 4.223 4.355 -7.067 1.00 0.73 H new ATOM 0 HE ARG A 51 2.741 5.521 -4.784 1.00 1.21 H new ATOM 0 HH11 ARG A 51 3.690 5.619 -8.180 1.00 1.96 H new ATOM 0 HH12 ARG A 51 2.542 6.899 -8.588 1.00 1.96 H new ATOM 0 HH21 ARG A 51 1.302 7.202 -5.298 1.00 2.17 H new ATOM 0 HH22 ARG A 51 1.193 7.793 -6.959 1.00 2.17 H new ATOM 803 N GLU A 52 5.247 0.232 -5.281 1.00 0.49 N ATOM 804 CA GLU A 52 6.167 -0.675 -5.941 1.00 0.54 C ATOM 805 C GLU A 52 5.865 -2.107 -5.514 1.00 0.53 C ATOM 806 O GLU A 52 5.755 -3.011 -6.342 1.00 0.58 O ATOM 807 CB GLU A 52 7.589 -0.288 -5.558 1.00 0.59 C ATOM 808 CG GLU A 52 7.909 1.169 -5.858 1.00 0.63 C ATOM 809 CD GLU A 52 8.375 1.377 -7.283 1.00 0.87 C ATOM 810 OE1 GLU A 52 7.518 1.481 -8.185 1.00 1.07 O ATOM 811 OE2 GLU A 52 9.601 1.441 -7.507 1.00 1.10 O ATOM 0 H GLU A 52 5.683 0.818 -4.569 1.00 0.49 H new ATOM 0 HA GLU A 52 6.056 -0.609 -7.023 1.00 0.54 H new ATOM 0 HB2 GLU A 52 7.737 -0.475 -4.494 1.00 0.59 H new ATOM 0 HB3 GLU A 52 8.291 -0.927 -6.095 1.00 0.59 H new ATOM 0 HG2 GLU A 52 7.023 1.777 -5.676 1.00 0.63 H new ATOM 0 HG3 GLU A 52 8.681 1.517 -5.172 1.00 0.63 H new ATOM 818 N ALA A 53 5.724 -2.295 -4.207 1.00 0.49 N ATOM 819 CA ALA A 53 5.320 -3.576 -3.646 1.00 0.48 C ATOM 820 C ALA A 53 3.875 -3.884 -4.020 1.00 0.49 C ATOM 821 O ALA A 53 3.526 -5.027 -4.321 1.00 0.53 O ATOM 822 CB ALA A 53 5.489 -3.553 -2.131 1.00 0.45 C ATOM 0 H ALA A 53 5.886 -1.567 -3.511 1.00 0.49 H new ATOM 0 HA ALA A 53 5.954 -4.361 -4.057 1.00 0.48 H new ATOM 0 HB1 ALA A 53 5.185 -4.514 -1.716 1.00 0.45 H new ATOM 0 HB2 ALA A 53 6.534 -3.365 -1.884 1.00 0.45 H new ATOM 0 HB3 ALA A 53 4.869 -2.763 -1.708 1.00 0.45 H new ATOM 828 N GLY A 54 3.047 -2.847 -4.004 1.00 0.49 N ATOM 829 CA GLY A 54 1.646 -2.993 -4.336 1.00 0.53 C ATOM 830 C GLY A 54 1.435 -3.472 -5.752 1.00 0.60 C ATOM 831 O GLY A 54 0.606 -4.341 -5.988 1.00 0.70 O ATOM 0 H GLY A 54 3.328 -1.896 -3.763 1.00 0.49 H new ATOM 0 HA2 GLY A 54 1.183 -3.697 -3.645 1.00 0.53 H new ATOM 0 HA3 GLY A 54 1.142 -2.036 -4.201 1.00 0.53 H new ATOM 835 N ASP A 55 2.197 -2.914 -6.688 1.00 0.61 N ATOM 836 CA ASP A 55 2.100 -3.291 -8.101 1.00 0.69 C ATOM 837 C ASP A 55 2.261 -4.796 -8.278 1.00 0.70 C ATOM 838 O ASP A 55 1.493 -5.434 -9.002 1.00 0.79 O ATOM 839 CB ASP A 55 3.163 -2.552 -8.918 1.00 0.73 C ATOM 840 CG ASP A 55 3.137 -2.921 -10.389 1.00 0.85 C ATOM 841 OD1 ASP A 55 2.154 -2.570 -11.083 1.00 1.04 O ATOM 842 OD2 ASP A 55 4.110 -3.548 -10.863 1.00 0.82 O ATOM 0 H ASP A 55 2.894 -2.194 -6.495 1.00 0.61 H new ATOM 0 HA ASP A 55 1.110 -3.008 -8.460 1.00 0.69 H new ATOM 0 HB2 ASP A 55 3.011 -1.478 -8.815 1.00 0.73 H new ATOM 0 HB3 ASP A 55 4.149 -2.775 -8.510 1.00 0.73 H new ATOM 847 N GLU A 56 3.246 -5.360 -7.588 1.00 0.66 N ATOM 848 CA GLU A 56 3.494 -6.794 -7.633 1.00 0.74 C ATOM 849 C GLU A 56 2.316 -7.580 -7.068 1.00 0.77 C ATOM 850 O GLU A 56 2.059 -8.712 -7.469 1.00 0.88 O ATOM 851 CB GLU A 56 4.780 -7.146 -6.885 1.00 0.79 C ATOM 852 CG GLU A 56 6.040 -6.764 -7.642 1.00 1.24 C ATOM 853 CD GLU A 56 7.296 -7.295 -6.988 1.00 1.52 C ATOM 854 OE1 GLU A 56 7.542 -8.520 -7.066 1.00 1.43 O ATOM 855 OE2 GLU A 56 8.052 -6.497 -6.399 1.00 2.29 O ATOM 0 H GLU A 56 3.888 -4.842 -6.988 1.00 0.66 H new ATOM 0 HA GLU A 56 3.614 -7.075 -8.679 1.00 0.74 H new ATOM 0 HB2 GLU A 56 4.779 -6.643 -5.918 1.00 0.79 H new ATOM 0 HB3 GLU A 56 4.795 -8.218 -6.686 1.00 0.79 H new ATOM 0 HG2 GLU A 56 5.977 -7.145 -8.661 1.00 1.24 H new ATOM 0 HG3 GLU A 56 6.102 -5.678 -7.711 1.00 1.24 H new ATOM 862 N PHE A 57 1.602 -6.973 -6.143 1.00 0.71 N ATOM 863 CA PHE A 57 0.423 -7.594 -5.562 1.00 0.75 C ATOM 864 C PHE A 57 -0.758 -7.490 -6.523 1.00 0.78 C ATOM 865 O PHE A 57 -1.531 -8.436 -6.682 1.00 0.91 O ATOM 866 CB PHE A 57 0.074 -6.939 -4.221 1.00 0.76 C ATOM 867 CG PHE A 57 -1.153 -7.519 -3.576 1.00 1.09 C ATOM 868 CD1 PHE A 57 -1.153 -8.820 -3.098 1.00 1.37 C ATOM 869 CD2 PHE A 57 -2.310 -6.765 -3.455 1.00 1.71 C ATOM 870 CE1 PHE A 57 -2.282 -9.358 -2.511 1.00 1.79 C ATOM 871 CE2 PHE A 57 -3.441 -7.298 -2.870 1.00 2.29 C ATOM 872 CZ PHE A 57 -3.428 -8.595 -2.398 1.00 2.20 C ATOM 0 H PHE A 57 1.816 -6.046 -5.774 1.00 0.71 H new ATOM 0 HA PHE A 57 0.641 -8.647 -5.386 1.00 0.75 H new ATOM 0 HB2 PHE A 57 0.919 -7.048 -3.541 1.00 0.76 H new ATOM 0 HB3 PHE A 57 -0.076 -5.870 -4.375 1.00 0.76 H new ATOM 0 HD1 PHE A 57 -0.260 -9.420 -3.185 1.00 1.37 H new ATOM 0 HD2 PHE A 57 -2.327 -5.750 -3.822 1.00 1.71 H new ATOM 0 HE1 PHE A 57 -2.269 -10.373 -2.141 1.00 1.79 H new ATOM 0 HE2 PHE A 57 -4.336 -6.700 -2.782 1.00 2.29 H new ATOM 0 HZ PHE A 57 -4.313 -9.013 -1.941 1.00 2.20 H new ATOM 882 N GLU A 58 -0.873 -6.342 -7.176 1.00 0.73 N ATOM 883 CA GLU A 58 -1.987 -6.076 -8.077 1.00 0.82 C ATOM 884 C GLU A 58 -1.985 -7.044 -9.249 1.00 0.82 C ATOM 885 O GLU A 58 -3.015 -7.624 -9.581 1.00 0.89 O ATOM 886 CB GLU A 58 -1.923 -4.644 -8.601 1.00 0.86 C ATOM 887 CG GLU A 58 -1.817 -3.604 -7.507 1.00 0.91 C ATOM 888 CD GLU A 58 -1.802 -2.192 -8.047 1.00 0.93 C ATOM 889 OE1 GLU A 58 -0.876 -1.846 -8.808 1.00 1.24 O ATOM 890 OE2 GLU A 58 -2.733 -1.429 -7.734 1.00 1.30 O ATOM 0 H GLU A 58 -0.205 -5.576 -7.098 1.00 0.73 H new ATOM 0 HA GLU A 58 -2.909 -6.212 -7.511 1.00 0.82 H new ATOM 0 HB2 GLU A 58 -1.066 -4.547 -9.267 1.00 0.86 H new ATOM 0 HB3 GLU A 58 -2.814 -4.444 -9.197 1.00 0.86 H new ATOM 0 HG2 GLU A 58 -2.656 -3.718 -6.820 1.00 0.91 H new ATOM 0 HG3 GLU A 58 -0.908 -3.779 -6.931 1.00 0.91 H new ATOM 897 N LEU A 59 -0.821 -7.226 -9.856 1.00 0.81 N ATOM 898 CA LEU A 59 -0.702 -8.061 -11.046 1.00 0.87 C ATOM 899 C LEU A 59 -1.151 -9.498 -10.785 1.00 0.85 C ATOM 900 O LEU A 59 -1.711 -10.148 -11.667 1.00 0.96 O ATOM 901 CB LEU A 59 0.738 -8.033 -11.584 1.00 0.96 C ATOM 902 CG LEU A 59 1.837 -8.505 -10.623 1.00 1.06 C ATOM 903 CD1 LEU A 59 1.995 -10.019 -10.651 1.00 1.54 C ATOM 904 CD2 LEU A 59 3.154 -7.840 -10.964 1.00 1.46 C ATOM 0 H LEU A 59 0.056 -6.807 -9.545 1.00 0.81 H new ATOM 0 HA LEU A 59 -1.368 -7.646 -11.802 1.00 0.87 H new ATOM 0 HB2 LEU A 59 0.779 -8.652 -12.480 1.00 0.96 H new ATOM 0 HB3 LEU A 59 0.968 -7.013 -11.891 1.00 0.96 H new ATOM 0 HG LEU A 59 1.539 -8.218 -9.615 1.00 1.06 H new ATOM 0 HD11 LEU A 59 2.782 -10.316 -9.958 1.00 1.54 H new ATOM 0 HD12 LEU A 59 1.056 -10.488 -10.356 1.00 1.54 H new ATOM 0 HD13 LEU A 59 2.260 -10.339 -11.659 1.00 1.54 H new ATOM 0 HD21 LEU A 59 3.925 -8.184 -10.274 1.00 1.46 H new ATOM 0 HD22 LEU A 59 3.439 -8.098 -11.984 1.00 1.46 H new ATOM 0 HD23 LEU A 59 3.048 -6.758 -10.880 1.00 1.46 H new ATOM 916 N ARG A 60 -0.933 -9.992 -9.572 1.00 0.83 N ATOM 917 CA ARG A 60 -1.218 -11.388 -9.286 1.00 0.90 C ATOM 918 C ARG A 60 -2.668 -11.609 -8.856 1.00 0.98 C ATOM 919 O ARG A 60 -3.260 -12.635 -9.191 1.00 1.15 O ATOM 920 CB ARG A 60 -0.248 -11.959 -8.250 1.00 1.03 C ATOM 921 CG ARG A 60 -0.086 -11.121 -7.002 1.00 1.00 C ATOM 922 CD ARG A 60 0.912 -11.756 -6.052 1.00 1.07 C ATOM 923 NE ARG A 60 2.192 -12.030 -6.707 1.00 1.41 N ATOM 924 CZ ARG A 60 3.353 -11.473 -6.361 1.00 1.94 C ATOM 925 NH1 ARG A 60 3.413 -10.592 -5.368 1.00 2.43 N ATOM 926 NH2 ARG A 60 4.461 -11.800 -7.011 1.00 2.58 N ATOM 0 H ARG A 60 -0.566 -9.456 -8.785 1.00 0.83 H new ATOM 0 HA ARG A 60 -1.073 -11.931 -10.220 1.00 0.90 H new ATOM 0 HB2 ARG A 60 -0.591 -12.953 -7.961 1.00 1.03 H new ATOM 0 HB3 ARG A 60 0.729 -12.082 -8.717 1.00 1.03 H new ATOM 0 HG2 ARG A 60 0.249 -10.119 -7.272 1.00 1.00 H new ATOM 0 HG3 ARG A 60 -1.050 -11.012 -6.504 1.00 1.00 H new ATOM 0 HD2 ARG A 60 1.074 -11.095 -5.201 1.00 1.07 H new ATOM 0 HD3 ARG A 60 0.499 -12.685 -5.660 1.00 1.07 H new ATOM 0 HE ARG A 60 2.196 -12.693 -7.482 1.00 1.41 H new ATOM 0 HH11 ARG A 60 2.565 -10.336 -4.862 1.00 2.43 H new ATOM 0 HH12 ARG A 60 4.307 -10.172 -5.112 1.00 2.43 H new ATOM 0 HH21 ARG A 60 4.424 -12.476 -7.774 1.00 2.58 H new ATOM 0 HH22 ARG A 60 5.350 -11.375 -6.748 1.00 2.58 H new ATOM 940 N TYR A 61 -3.244 -10.660 -8.125 1.00 1.04 N ATOM 941 CA TYR A 61 -4.618 -10.815 -7.647 1.00 1.26 C ATOM 942 C TYR A 61 -5.623 -10.215 -8.637 1.00 1.32 C ATOM 943 O TYR A 61 -6.836 -10.360 -8.468 1.00 1.59 O ATOM 944 CB TYR A 61 -4.783 -10.184 -6.251 1.00 1.52 C ATOM 945 CG TYR A 61 -5.356 -8.780 -6.246 1.00 2.19 C ATOM 946 CD1 TYR A 61 -4.547 -7.684 -6.524 1.00 2.70 C ATOM 947 CD2 TYR A 61 -6.696 -8.548 -5.970 1.00 2.84 C ATOM 948 CE1 TYR A 61 -5.055 -6.402 -6.525 1.00 3.67 C ATOM 949 CE2 TYR A 61 -7.213 -7.265 -5.968 1.00 3.86 C ATOM 950 CZ TYR A 61 -6.425 -6.213 -6.226 1.00 4.23 C ATOM 951 OH TYR A 61 -6.892 -4.919 -6.240 1.00 5.32 O ATOM 0 H TYR A 61 -2.791 -9.787 -7.853 1.00 1.04 H new ATOM 0 HA TYR A 61 -4.826 -11.882 -7.569 1.00 1.26 H new ATOM 0 HB2 TYR A 61 -5.429 -10.826 -5.653 1.00 1.52 H new ATOM 0 HB3 TYR A 61 -3.810 -10.165 -5.760 1.00 1.52 H new ATOM 0 HD1 TYR A 61 -3.501 -7.840 -6.743 1.00 2.70 H new ATOM 0 HD2 TYR A 61 -7.346 -9.383 -5.753 1.00 2.84 H new ATOM 0 HE1 TYR A 61 -4.419 -5.558 -6.750 1.00 3.67 H new ATOM 0 HE2 TYR A 61 -8.261 -7.110 -5.757 1.00 3.86 H new ATOM 0 HH TYR A 61 -7.823 -4.911 -6.545 1.00 5.32 H new ATOM 961 N ARG A 62 -5.108 -9.563 -9.678 1.00 1.28 N ATOM 962 CA ARG A 62 -5.939 -8.832 -10.640 1.00 1.39 C ATOM 963 C ARG A 62 -7.008 -9.732 -11.260 1.00 1.07 C ATOM 964 O ARG A 62 -8.108 -9.276 -11.578 1.00 1.30 O ATOM 965 CB ARG A 62 -5.064 -8.226 -11.742 1.00 1.72 C ATOM 966 CG ARG A 62 -5.788 -7.205 -12.599 1.00 2.15 C ATOM 967 CD ARG A 62 -4.866 -6.584 -13.638 1.00 2.51 C ATOM 968 NE ARG A 62 -5.524 -5.496 -14.356 1.00 3.10 N ATOM 969 CZ ARG A 62 -5.046 -4.914 -15.454 1.00 3.59 C ATOM 970 NH1 ARG A 62 -3.871 -5.274 -15.960 1.00 3.59 N ATOM 971 NH2 ARG A 62 -5.743 -3.949 -16.035 1.00 4.48 N ATOM 0 H ARG A 62 -4.109 -9.525 -9.880 1.00 1.28 H new ATOM 0 HA ARG A 62 -6.446 -8.033 -10.098 1.00 1.39 H new ATOM 0 HB2 ARG A 62 -4.194 -7.754 -11.285 1.00 1.72 H new ATOM 0 HB3 ARG A 62 -4.693 -9.027 -12.381 1.00 1.72 H new ATOM 0 HG2 ARG A 62 -6.630 -7.682 -13.100 1.00 2.15 H new ATOM 0 HG3 ARG A 62 -6.198 -6.421 -11.962 1.00 2.15 H new ATOM 0 HD2 ARG A 62 -3.967 -6.208 -13.150 1.00 2.51 H new ATOM 0 HD3 ARG A 62 -4.547 -7.349 -14.347 1.00 2.51 H new ATOM 0 HE ARG A 62 -6.414 -5.157 -13.990 1.00 3.10 H new ATOM 0 HH11 ARG A 62 -3.323 -6.005 -15.507 1.00 3.59 H new ATOM 0 HH12 ARG A 62 -3.517 -4.819 -16.802 1.00 3.59 H new ATOM 0 HH21 ARG A 62 -6.638 -3.658 -15.641 1.00 4.48 H new ATOM 0 HH22 ARG A 62 -5.385 -3.497 -16.876 1.00 4.48 H new ATOM 985 N ARG A 63 -6.671 -11.008 -11.417 1.00 0.98 N ATOM 986 CA ARG A 63 -7.590 -12.003 -11.963 1.00 1.19 C ATOM 987 C ARG A 63 -8.912 -12.042 -11.196 1.00 1.20 C ATOM 988 O ARG A 63 -9.981 -12.177 -11.792 1.00 1.45 O ATOM 989 CB ARG A 63 -6.937 -13.391 -11.939 1.00 1.61 C ATOM 990 CG ARG A 63 -6.343 -13.768 -10.588 1.00 2.18 C ATOM 991 CD ARG A 63 -5.747 -15.165 -10.602 1.00 2.52 C ATOM 992 NE ARG A 63 -6.770 -16.207 -10.694 1.00 3.12 N ATOM 993 CZ ARG A 63 -6.506 -17.515 -10.651 1.00 3.84 C ATOM 994 NH1 ARG A 63 -5.254 -17.943 -10.553 1.00 4.07 N ATOM 995 NH2 ARG A 63 -7.489 -18.399 -10.717 1.00 4.72 N ATOM 0 H ARG A 63 -5.755 -11.382 -11.170 1.00 0.98 H new ATOM 0 HA ARG A 63 -7.810 -11.716 -12.991 1.00 1.19 H new ATOM 0 HB2 ARG A 63 -7.681 -14.137 -12.219 1.00 1.61 H new ATOM 0 HB3 ARG A 63 -6.151 -13.425 -12.693 1.00 1.61 H new ATOM 0 HG2 ARG A 63 -5.572 -13.047 -10.316 1.00 2.18 H new ATOM 0 HG3 ARG A 63 -7.117 -13.711 -9.822 1.00 2.18 H new ATOM 0 HD2 ARG A 63 -5.062 -15.256 -11.445 1.00 2.52 H new ATOM 0 HD3 ARG A 63 -5.159 -15.315 -9.696 1.00 2.52 H new ATOM 0 HE ARG A 63 -7.742 -15.917 -10.797 1.00 3.12 H new ATOM 0 HH11 ARG A 63 -4.487 -17.272 -10.510 1.00 4.07 H new ATOM 0 HH12 ARG A 63 -5.058 -18.943 -10.521 1.00 4.07 H new ATOM 0 HH21 ARG A 63 -8.455 -18.082 -10.801 1.00 4.72 H new ATOM 0 HH22 ARG A 63 -7.281 -19.397 -10.684 1.00 4.72 H new ATOM 1009 N ALA A 64 -8.837 -11.911 -9.879 1.00 1.07 N ATOM 1010 CA ALA A 64 -10.012 -12.031 -9.033 1.00 1.09 C ATOM 1011 C ALA A 64 -10.691 -10.683 -8.815 1.00 1.08 C ATOM 1012 O ALA A 64 -11.904 -10.619 -8.636 1.00 1.05 O ATOM 1013 CB ALA A 64 -9.630 -12.649 -7.696 1.00 1.17 C ATOM 0 H ALA A 64 -7.971 -11.721 -9.374 1.00 1.07 H new ATOM 0 HA ALA A 64 -10.724 -12.680 -9.542 1.00 1.09 H new ATOM 0 HB1 ALA A 64 -10.517 -12.735 -7.068 1.00 1.17 H new ATOM 0 HB2 ALA A 64 -9.205 -13.639 -7.861 1.00 1.17 H new ATOM 0 HB3 ALA A 64 -8.894 -12.016 -7.200 1.00 1.17 H new ATOM 1019 N PHE A 65 -9.903 -9.614 -8.861 1.00 1.14 N ATOM 1020 CA PHE A 65 -10.380 -8.269 -8.522 1.00 1.22 C ATOM 1021 C PHE A 65 -11.656 -7.880 -9.281 1.00 1.19 C ATOM 1022 O PHE A 65 -12.553 -7.253 -8.718 1.00 1.22 O ATOM 1023 CB PHE A 65 -9.270 -7.244 -8.787 1.00 1.47 C ATOM 1024 CG PHE A 65 -9.683 -5.819 -8.546 1.00 1.41 C ATOM 1025 CD1 PHE A 65 -10.268 -5.448 -7.348 1.00 1.67 C ATOM 1026 CD2 PHE A 65 -9.489 -4.854 -9.520 1.00 1.98 C ATOM 1027 CE1 PHE A 65 -10.650 -4.140 -7.125 1.00 2.44 C ATOM 1028 CE2 PHE A 65 -9.869 -3.546 -9.302 1.00 2.59 C ATOM 1029 CZ PHE A 65 -10.438 -3.184 -8.098 1.00 2.81 C ATOM 0 H PHE A 65 -8.920 -9.650 -9.132 1.00 1.14 H new ATOM 0 HA PHE A 65 -10.636 -8.275 -7.463 1.00 1.22 H new ATOM 0 HB2 PHE A 65 -8.416 -7.476 -8.151 1.00 1.47 H new ATOM 0 HB3 PHE A 65 -8.936 -7.345 -9.819 1.00 1.47 H new ATOM 0 HD1 PHE A 65 -10.427 -6.190 -6.579 1.00 1.67 H new ATOM 0 HD2 PHE A 65 -9.035 -5.129 -10.461 1.00 1.98 H new ATOM 0 HE1 PHE A 65 -11.115 -3.865 -6.190 1.00 2.44 H new ATOM 0 HE2 PHE A 65 -9.721 -2.805 -10.074 1.00 2.59 H new ATOM 0 HZ PHE A 65 -10.716 -2.156 -7.918 1.00 2.81 H new ATOM 1039 N SER A 66 -11.747 -8.264 -10.543 1.00 1.20 N ATOM 1040 CA SER A 66 -12.886 -7.885 -11.367 1.00 1.24 C ATOM 1041 C SER A 66 -14.155 -8.636 -10.964 1.00 1.13 C ATOM 1042 O SER A 66 -15.253 -8.085 -11.016 1.00 1.16 O ATOM 1043 CB SER A 66 -12.562 -8.145 -12.837 1.00 1.45 C ATOM 1044 OG SER A 66 -12.014 -9.444 -13.013 1.00 2.19 O ATOM 0 H SER A 66 -11.050 -8.836 -11.019 1.00 1.20 H new ATOM 0 HA SER A 66 -13.075 -6.823 -11.214 1.00 1.24 H new ATOM 0 HB2 SER A 66 -13.467 -8.043 -13.436 1.00 1.45 H new ATOM 0 HB3 SER A 66 -11.856 -7.396 -13.196 1.00 1.45 H new ATOM 0 HG SER A 66 -11.816 -9.590 -13.962 1.00 2.19 H new ATOM 1050 N ASP A 67 -14.000 -9.886 -10.549 1.00 1.09 N ATOM 1051 CA ASP A 67 -15.146 -10.729 -10.229 1.00 1.08 C ATOM 1052 C ASP A 67 -15.529 -10.604 -8.763 1.00 0.97 C ATOM 1053 O ASP A 67 -16.705 -10.694 -8.406 1.00 1.01 O ATOM 1054 CB ASP A 67 -14.840 -12.191 -10.555 1.00 1.18 C ATOM 1055 CG ASP A 67 -16.049 -13.087 -10.386 1.00 1.86 C ATOM 1056 OD1 ASP A 67 -16.888 -13.136 -11.309 1.00 2.72 O ATOM 1057 OD2 ASP A 67 -16.169 -13.747 -9.333 1.00 2.06 O ATOM 0 H ASP A 67 -13.094 -10.339 -10.426 1.00 1.09 H new ATOM 0 HA ASP A 67 -15.985 -10.391 -10.837 1.00 1.08 H new ATOM 0 HB2 ASP A 67 -14.478 -12.263 -11.581 1.00 1.18 H new ATOM 0 HB3 ASP A 67 -14.037 -12.544 -9.908 1.00 1.18 H new ATOM 1062 N LEU A 68 -14.529 -10.377 -7.919 1.00 0.89 N ATOM 1063 CA LEU A 68 -14.731 -10.326 -6.477 1.00 0.85 C ATOM 1064 C LEU A 68 -15.697 -9.230 -6.054 1.00 0.76 C ATOM 1065 O LEU A 68 -16.216 -9.292 -4.959 1.00 0.77 O ATOM 1066 CB LEU A 68 -13.398 -10.172 -5.731 1.00 0.91 C ATOM 1067 CG LEU A 68 -12.744 -11.478 -5.267 1.00 1.06 C ATOM 1068 CD1 LEU A 68 -12.850 -12.549 -6.332 1.00 1.54 C ATOM 1069 CD2 LEU A 68 -11.289 -11.240 -4.898 1.00 1.56 C ATOM 0 H LEU A 68 -13.564 -10.224 -8.212 1.00 0.89 H new ATOM 0 HA LEU A 68 -15.182 -11.280 -6.203 1.00 0.85 H new ATOM 0 HB2 LEU A 68 -12.698 -9.647 -6.380 1.00 0.91 H new ATOM 0 HB3 LEU A 68 -13.561 -9.539 -4.859 1.00 0.91 H new ATOM 0 HG LEU A 68 -13.277 -11.827 -4.383 1.00 1.06 H new ATOM 0 HD11 LEU A 68 -12.378 -13.464 -5.976 1.00 1.54 H new ATOM 0 HD12 LEU A 68 -13.900 -12.743 -6.549 1.00 1.54 H new ATOM 0 HD13 LEU A 68 -12.348 -12.211 -7.239 1.00 1.54 H new ATOM 0 HD21 LEU A 68 -10.839 -12.177 -4.571 1.00 1.56 H new ATOM 0 HD22 LEU A 68 -10.750 -10.863 -5.767 1.00 1.56 H new ATOM 0 HD23 LEU A 68 -11.233 -10.509 -4.091 1.00 1.56 H new ATOM 1081 N THR A 69 -15.969 -8.250 -6.911 1.00 0.70 N ATOM 1082 CA THR A 69 -16.864 -7.154 -6.535 1.00 0.62 C ATOM 1083 C THR A 69 -18.233 -7.694 -6.157 1.00 0.63 C ATOM 1084 O THR A 69 -18.888 -7.191 -5.243 1.00 0.60 O ATOM 1085 CB THR A 69 -17.023 -6.122 -7.663 1.00 0.62 C ATOM 1086 OG1 THR A 69 -17.108 -6.782 -8.932 1.00 0.69 O ATOM 1087 CG2 THR A 69 -15.870 -5.143 -7.664 1.00 0.63 C ATOM 0 H THR A 69 -15.591 -8.189 -7.856 1.00 0.70 H new ATOM 0 HA THR A 69 -16.410 -6.655 -5.679 1.00 0.62 H new ATOM 0 HB THR A 69 -17.945 -5.568 -7.489 1.00 0.62 H new ATOM 0 HG1 THR A 69 -17.211 -6.114 -9.642 1.00 0.69 H new ATOM 0 HG21 THR A 69 -16.005 -4.423 -8.471 1.00 0.63 H new ATOM 0 HG22 THR A 69 -15.838 -4.617 -6.710 1.00 0.63 H new ATOM 0 HG23 THR A 69 -14.935 -5.683 -7.812 1.00 0.63 H new ATOM 1095 N SER A 70 -18.639 -8.739 -6.858 1.00 0.72 N ATOM 1096 CA SER A 70 -19.872 -9.445 -6.566 1.00 0.80 C ATOM 1097 C SER A 70 -19.783 -10.133 -5.207 1.00 0.76 C ATOM 1098 O SER A 70 -20.784 -10.318 -4.515 1.00 0.76 O ATOM 1099 CB SER A 70 -20.103 -10.478 -7.660 1.00 0.96 C ATOM 1100 OG SER A 70 -20.174 -9.860 -8.933 1.00 1.34 O ATOM 0 H SER A 70 -18.120 -9.122 -7.648 1.00 0.72 H new ATOM 0 HA SER A 70 -20.702 -8.740 -6.534 1.00 0.80 H new ATOM 0 HB2 SER A 70 -19.295 -11.210 -7.651 1.00 0.96 H new ATOM 0 HB3 SER A 70 -21.027 -11.021 -7.463 1.00 0.96 H new ATOM 0 HG SER A 70 -20.321 -10.543 -9.620 1.00 1.34 H new ATOM 1106 N GLN A 71 -18.565 -10.489 -4.831 1.00 0.77 N ATOM 1107 CA GLN A 71 -18.307 -11.203 -3.591 1.00 0.77 C ATOM 1108 C GLN A 71 -18.137 -10.219 -2.442 1.00 0.67 C ATOM 1109 O GLN A 71 -18.555 -10.490 -1.317 1.00 0.74 O ATOM 1110 CB GLN A 71 -17.063 -12.076 -3.744 1.00 0.81 C ATOM 1111 CG GLN A 71 -17.045 -12.846 -5.048 1.00 0.99 C ATOM 1112 CD GLN A 71 -16.028 -13.958 -5.046 1.00 1.09 C ATOM 1113 OE1 GLN A 71 -14.996 -13.801 -4.243 1.00 1.31 O flip ATOM 1114 NE2 GLN A 71 -16.176 -14.960 -5.744 1.00 1.42 N flip ATOM 0 H GLN A 71 -17.727 -10.291 -5.377 1.00 0.77 H new ATOM 0 HA GLN A 71 -19.158 -11.846 -3.366 1.00 0.77 H new ATOM 0 HB2 GLN A 71 -16.174 -11.448 -3.686 1.00 0.81 H new ATOM 0 HB3 GLN A 71 -17.012 -12.778 -2.912 1.00 0.81 H new ATOM 0 HG2 GLN A 71 -18.035 -13.263 -5.234 1.00 0.99 H new ATOM 0 HG3 GLN A 71 -16.829 -12.161 -5.868 1.00 0.99 H new ATOM 0 HE21 GLN A 71 -16.990 -15.042 -6.353 1.00 1.42 H new ATOM 0 HE22 GLN A 71 -15.484 -15.709 -5.714 1.00 1.42 H new ATOM 1123 N LEU A 72 -17.521 -9.071 -2.728 1.00 0.59 N ATOM 1124 CA LEU A 72 -17.499 -7.974 -1.784 1.00 0.55 C ATOM 1125 C LEU A 72 -18.913 -7.460 -1.588 1.00 0.47 C ATOM 1126 O LEU A 72 -19.284 -7.032 -0.499 1.00 0.48 O ATOM 1127 CB LEU A 72 -16.643 -6.812 -2.307 1.00 0.59 C ATOM 1128 CG LEU A 72 -15.121 -6.919 -2.158 1.00 0.76 C ATOM 1129 CD1 LEU A 72 -14.731 -7.278 -0.739 1.00 1.37 C ATOM 1130 CD2 LEU A 72 -14.519 -7.881 -3.161 1.00 1.35 C ATOM 0 H LEU A 72 -17.035 -8.886 -3.605 1.00 0.59 H new ATOM 0 HA LEU A 72 -17.077 -8.340 -0.848 1.00 0.55 H new ATOM 0 HB2 LEU A 72 -16.867 -6.682 -3.366 1.00 0.59 H new ATOM 0 HB3 LEU A 72 -16.966 -5.903 -1.799 1.00 0.59 H new ATOM 0 HG LEU A 72 -14.706 -5.935 -2.376 1.00 0.76 H new ATOM 0 HD11 LEU A 72 -13.646 -7.346 -0.666 1.00 1.37 H new ATOM 0 HD12 LEU A 72 -15.093 -6.509 -0.057 1.00 1.37 H new ATOM 0 HD13 LEU A 72 -15.174 -8.238 -0.472 1.00 1.37 H new ATOM 0 HD21 LEU A 72 -13.439 -7.926 -3.019 1.00 1.35 H new ATOM 0 HD22 LEU A 72 -14.946 -8.873 -3.015 1.00 1.35 H new ATOM 0 HD23 LEU A 72 -14.738 -7.537 -4.172 1.00 1.35 H new ATOM 1142 N HIS A 73 -19.707 -7.542 -2.653 1.00 0.48 N ATOM 1143 CA HIS A 73 -21.049 -6.972 -2.662 1.00 0.48 C ATOM 1144 C HIS A 73 -20.926 -5.463 -2.567 1.00 0.43 C ATOM 1145 O HIS A 73 -21.705 -4.792 -1.887 1.00 0.52 O ATOM 1146 CB HIS A 73 -21.907 -7.531 -1.522 1.00 0.55 C ATOM 1147 CG HIS A 73 -22.380 -8.933 -1.752 1.00 1.20 C ATOM 1148 ND1 HIS A 73 -21.942 -10.008 -1.012 1.00 2.06 N ATOM 1149 CD2 HIS A 73 -23.270 -9.431 -2.640 1.00 1.97 C ATOM 1150 CE1 HIS A 73 -22.539 -11.104 -1.436 1.00 2.72 C ATOM 1151 NE2 HIS A 73 -23.352 -10.784 -2.424 1.00 2.62 N ATOM 0 H HIS A 73 -19.441 -8.000 -3.524 1.00 0.48 H new ATOM 0 HA HIS A 73 -21.553 -7.245 -3.589 1.00 0.48 H new ATOM 0 HB2 HIS A 73 -21.331 -7.499 -0.597 1.00 0.55 H new ATOM 0 HB3 HIS A 73 -22.773 -6.884 -1.381 1.00 0.55 H new ATOM 0 HD2 HIS A 73 -23.816 -8.868 -3.382 1.00 1.97 H new ATOM 0 HE1 HIS A 73 -22.388 -12.098 -1.041 1.00 2.72 H new ATOM 0 HE2 HIS A 73 -23.943 -11.434 -2.942 1.00 2.62 H new ATOM 1160 N ILE A 74 -19.915 -4.965 -3.273 1.00 0.45 N ATOM 1161 CA ILE A 74 -19.554 -3.557 -3.311 1.00 0.41 C ATOM 1162 C ILE A 74 -20.768 -2.653 -3.484 1.00 0.49 C ATOM 1163 O ILE A 74 -21.485 -2.711 -4.488 1.00 0.91 O ATOM 1164 CB ILE A 74 -18.542 -3.339 -4.445 1.00 0.38 C ATOM 1165 CG1 ILE A 74 -17.256 -4.089 -4.115 1.00 0.36 C ATOM 1166 CG2 ILE A 74 -18.254 -1.868 -4.659 1.00 0.44 C ATOM 1167 CD1 ILE A 74 -16.505 -3.501 -2.937 1.00 0.39 C ATOM 0 H ILE A 74 -19.309 -5.549 -3.850 1.00 0.45 H new ATOM 0 HA ILE A 74 -19.107 -3.287 -2.354 1.00 0.41 H new ATOM 0 HB ILE A 74 -18.968 -3.724 -5.371 1.00 0.38 H new ATOM 0 HG12 ILE A 74 -17.496 -5.131 -3.901 1.00 0.36 H new ATOM 0 HG13 ILE A 74 -16.606 -4.085 -4.990 1.00 0.36 H new ATOM 0 HG21 ILE A 74 -17.534 -1.752 -5.469 1.00 0.44 H new ATOM 0 HG22 ILE A 74 -19.178 -1.350 -4.918 1.00 0.44 H new ATOM 0 HG23 ILE A 74 -17.843 -1.441 -3.744 1.00 0.44 H new ATOM 0 HD11 ILE A 74 -15.600 -4.082 -2.756 1.00 0.39 H new ATOM 0 HD12 ILE A 74 -16.235 -2.468 -3.156 1.00 0.39 H new ATOM 0 HD13 ILE A 74 -17.138 -3.530 -2.050 1.00 0.39 H new ATOM 1179 N THR A 75 -20.986 -1.828 -2.477 1.00 0.38 N ATOM 1180 CA THR A 75 -22.183 -1.032 -2.369 1.00 0.40 C ATOM 1181 C THR A 75 -21.898 0.130 -1.389 1.00 0.37 C ATOM 1182 O THR A 75 -20.726 0.352 -1.073 1.00 0.34 O ATOM 1183 CB THR A 75 -23.336 -1.970 -1.900 1.00 0.46 C ATOM 1184 OG1 THR A 75 -24.584 -1.584 -2.489 1.00 0.51 O ATOM 1185 CG2 THR A 75 -23.461 -2.014 -0.380 1.00 0.46 C ATOM 0 H THR A 75 -20.329 -1.694 -1.708 1.00 0.38 H new ATOM 0 HA THR A 75 -22.486 -0.588 -3.317 1.00 0.40 H new ATOM 0 HB THR A 75 -23.082 -2.974 -2.239 1.00 0.46 H new ATOM 0 HG1 THR A 75 -25.292 -2.188 -2.181 1.00 0.51 H new ATOM 0 HG21 THR A 75 -24.277 -2.680 -0.101 1.00 0.46 H new ATOM 0 HG22 THR A 75 -22.530 -2.381 0.051 1.00 0.46 H new ATOM 0 HG23 THR A 75 -23.665 -1.012 -0.003 1.00 0.46 H new ATOM 1193 N PRO A 76 -22.919 0.932 -0.972 1.00 0.38 N ATOM 1194 CA PRO A 76 -22.859 1.861 0.165 1.00 0.37 C ATOM 1195 C PRO A 76 -21.894 1.468 1.294 1.00 0.35 C ATOM 1196 O PRO A 76 -21.430 0.332 1.371 1.00 0.35 O ATOM 1197 CB PRO A 76 -24.302 1.838 0.678 1.00 0.42 C ATOM 1198 CG PRO A 76 -25.148 1.413 -0.485 1.00 0.47 C ATOM 1199 CD PRO A 76 -24.217 1.088 -1.628 1.00 0.44 C ATOM 0 HA PRO A 76 -22.478 2.831 -0.153 1.00 0.37 H new ATOM 0 HB2 PRO A 76 -24.408 1.144 1.512 1.00 0.42 H new ATOM 0 HB3 PRO A 76 -24.603 2.821 1.041 1.00 0.42 H new ATOM 0 HG2 PRO A 76 -25.751 0.544 -0.223 1.00 0.47 H new ATOM 0 HG3 PRO A 76 -25.839 2.207 -0.767 1.00 0.47 H new ATOM 0 HD2 PRO A 76 -24.518 0.177 -2.145 1.00 0.44 H new ATOM 0 HD3 PRO A 76 -24.199 1.885 -2.371 1.00 0.44 H new ATOM 1207 N GLY A 77 -21.637 2.456 2.164 1.00 0.36 N ATOM 1208 CA GLY A 77 -20.633 2.403 3.237 1.00 0.37 C ATOM 1209 C GLY A 77 -20.318 1.039 3.837 1.00 0.38 C ATOM 1210 O GLY A 77 -19.189 0.814 4.274 1.00 0.40 O ATOM 0 H GLY A 77 -22.139 3.343 2.139 1.00 0.36 H new ATOM 0 HA2 GLY A 77 -19.705 2.823 2.850 1.00 0.37 H new ATOM 0 HA3 GLY A 77 -20.967 3.056 4.043 1.00 0.37 H new ATOM 1214 N THR A 78 -21.285 0.132 3.860 1.00 0.40 N ATOM 1215 CA THR A 78 -21.095 -1.189 4.440 1.00 0.42 C ATOM 1216 C THR A 78 -20.104 -2.042 3.646 1.00 0.38 C ATOM 1217 O THR A 78 -19.891 -3.213 3.961 1.00 0.40 O ATOM 1218 CB THR A 78 -22.432 -1.932 4.555 1.00 0.49 C ATOM 1219 OG1 THR A 78 -23.124 -1.903 3.298 1.00 0.50 O ATOM 1220 CG2 THR A 78 -23.282 -1.291 5.630 1.00 0.56 C ATOM 0 H THR A 78 -22.218 0.290 3.479 1.00 0.40 H new ATOM 0 HA THR A 78 -20.677 -1.031 5.434 1.00 0.42 H new ATOM 0 HB THR A 78 -22.239 -2.971 4.824 1.00 0.49 H new ATOM 0 HG1 THR A 78 -23.975 -2.381 3.382 1.00 0.50 H new ATOM 0 HG21 THR A 78 -24.231 -1.822 5.708 1.00 0.56 H new ATOM 0 HG22 THR A 78 -22.759 -1.340 6.585 1.00 0.56 H new ATOM 0 HG23 THR A 78 -23.470 -0.249 5.372 1.00 0.56 H new ATOM 1228 N ALA A 79 -19.467 -1.444 2.647 1.00 0.34 N ATOM 1229 CA ALA A 79 -18.428 -2.119 1.887 1.00 0.31 C ATOM 1230 C ALA A 79 -17.194 -2.331 2.758 1.00 0.30 C ATOM 1231 O ALA A 79 -16.272 -3.058 2.394 1.00 0.31 O ATOM 1232 CB ALA A 79 -18.082 -1.318 0.645 1.00 0.32 C ATOM 0 H ALA A 79 -19.655 -0.488 2.345 1.00 0.34 H new ATOM 0 HA ALA A 79 -18.797 -3.095 1.572 1.00 0.31 H new ATOM 0 HB1 ALA A 79 -17.303 -1.834 0.085 1.00 0.32 H new ATOM 0 HB2 ALA A 79 -18.969 -1.213 0.021 1.00 0.32 H new ATOM 0 HB3 ALA A 79 -17.725 -0.330 0.937 1.00 0.32 H new ATOM 1238 N TYR A 80 -17.196 -1.698 3.926 1.00 0.33 N ATOM 1239 CA TYR A 80 -16.133 -1.885 4.900 1.00 0.36 C ATOM 1240 C TYR A 80 -16.275 -3.243 5.563 1.00 0.36 C ATOM 1241 O TYR A 80 -15.331 -3.761 6.146 1.00 0.38 O ATOM 1242 CB TYR A 80 -16.158 -0.770 5.955 1.00 0.44 C ATOM 1243 CG TYR A 80 -17.235 -0.918 7.013 1.00 1.15 C ATOM 1244 CD1 TYR A 80 -18.578 -0.835 6.674 1.00 2.21 C ATOM 1245 CD2 TYR A 80 -16.912 -1.136 8.345 1.00 1.69 C ATOM 1246 CE1 TYR A 80 -19.566 -0.965 7.630 1.00 3.13 C ATOM 1247 CE2 TYR A 80 -17.893 -1.269 9.306 1.00 2.52 C ATOM 1248 CZ TYR A 80 -19.199 -1.200 8.960 1.00 3.12 C ATOM 1249 OH TYR A 80 -20.198 -1.309 9.901 1.00 4.13 O ATOM 0 H TYR A 80 -17.926 -1.049 4.220 1.00 0.33 H new ATOM 0 HA TYR A 80 -15.175 -1.840 4.383 1.00 0.36 H new ATOM 0 HB2 TYR A 80 -15.187 -0.734 6.448 1.00 0.44 H new ATOM 0 HB3 TYR A 80 -16.294 0.186 5.449 1.00 0.44 H new ATOM 0 HD1 TYR A 80 -18.856 -0.666 5.644 1.00 2.21 H new ATOM 0 HD2 TYR A 80 -15.874 -1.203 8.635 1.00 1.69 H new ATOM 0 HE1 TYR A 80 -20.607 -0.886 7.355 1.00 3.13 H new ATOM 0 HE2 TYR A 80 -17.617 -1.429 10.338 1.00 2.52 H new ATOM 0 HH TYR A 80 -19.801 -1.473 10.782 1.00 4.13 H new ATOM 1259 N GLN A 81 -17.469 -3.812 5.467 1.00 0.37 N ATOM 1260 CA GLN A 81 -17.709 -5.157 5.958 1.00 0.41 C ATOM 1261 C GLN A 81 -17.383 -6.175 4.883 1.00 0.41 C ATOM 1262 O GLN A 81 -17.186 -7.359 5.151 1.00 0.46 O ATOM 1263 CB GLN A 81 -19.144 -5.313 6.444 1.00 0.45 C ATOM 1264 CG GLN A 81 -19.307 -4.938 7.904 1.00 0.58 C ATOM 1265 CD GLN A 81 -20.705 -5.184 8.426 1.00 0.68 C ATOM 1266 OE1 GLN A 81 -21.010 -6.268 8.920 1.00 1.03 O ATOM 1267 NE2 GLN A 81 -21.560 -4.178 8.335 1.00 0.79 N ATOM 0 H GLN A 81 -18.285 -3.361 5.053 1.00 0.37 H new ATOM 0 HA GLN A 81 -17.052 -5.335 6.809 1.00 0.41 H new ATOM 0 HB2 GLN A 81 -19.800 -4.689 5.837 1.00 0.45 H new ATOM 0 HB3 GLN A 81 -19.463 -6.345 6.300 1.00 0.45 H new ATOM 0 HG2 GLN A 81 -18.597 -5.509 8.501 1.00 0.58 H new ATOM 0 HG3 GLN A 81 -19.057 -3.885 8.033 1.00 0.58 H new ATOM 0 HE21 GLN A 81 -21.266 -3.295 7.918 1.00 0.79 H new ATOM 0 HE22 GLN A 81 -22.513 -4.286 8.682 1.00 0.79 H new ATOM 1276 N SER A 82 -17.328 -5.688 3.667 1.00 0.39 N ATOM 1277 CA SER A 82 -16.829 -6.456 2.542 1.00 0.41 C ATOM 1278 C SER A 82 -15.311 -6.515 2.622 1.00 0.41 C ATOM 1279 O SER A 82 -14.705 -7.585 2.615 1.00 0.48 O ATOM 1280 CB SER A 82 -17.260 -5.777 1.250 1.00 0.41 C ATOM 1281 OG SER A 82 -18.606 -5.337 1.340 1.00 0.43 O ATOM 0 H SER A 82 -17.628 -4.744 3.424 1.00 0.39 H new ATOM 0 HA SER A 82 -17.230 -7.469 2.565 1.00 0.41 H new ATOM 0 HB2 SER A 82 -16.608 -4.928 1.044 1.00 0.41 H new ATOM 0 HB3 SER A 82 -17.154 -6.470 0.416 1.00 0.41 H new ATOM 0 HG SER A 82 -19.173 -5.902 0.775 1.00 0.43 H new ATOM 1287 N PHE A 83 -14.712 -5.336 2.726 1.00 0.38 N ATOM 1288 CA PHE A 83 -13.281 -5.197 2.941 1.00 0.37 C ATOM 1289 C PHE A 83 -12.900 -5.753 4.316 1.00 0.38 C ATOM 1290 O PHE A 83 -11.731 -5.987 4.607 1.00 0.39 O ATOM 1291 CB PHE A 83 -12.869 -3.725 2.779 1.00 0.36 C ATOM 1292 CG PHE A 83 -11.403 -3.466 2.989 1.00 0.56 C ATOM 1293 CD1 PHE A 83 -10.491 -3.747 1.986 1.00 0.79 C ATOM 1294 CD2 PHE A 83 -10.937 -2.942 4.185 1.00 0.75 C ATOM 1295 CE1 PHE A 83 -9.142 -3.514 2.170 1.00 1.07 C ATOM 1296 CE2 PHE A 83 -9.590 -2.706 4.375 1.00 1.05 C ATOM 1297 CZ PHE A 83 -8.692 -2.993 3.367 1.00 1.18 C ATOM 0 H PHE A 83 -15.208 -4.447 2.663 1.00 0.38 H new ATOM 0 HA PHE A 83 -12.739 -5.776 2.193 1.00 0.37 H new ATOM 0 HB2 PHE A 83 -13.145 -3.390 1.779 1.00 0.36 H new ATOM 0 HB3 PHE A 83 -13.438 -3.121 3.486 1.00 0.36 H new ATOM 0 HD1 PHE A 83 -10.839 -4.154 1.048 1.00 0.79 H new ATOM 0 HD2 PHE A 83 -11.636 -2.716 4.977 1.00 0.75 H new ATOM 0 HE1 PHE A 83 -8.441 -3.739 1.380 1.00 1.07 H new ATOM 0 HE2 PHE A 83 -9.239 -2.297 5.311 1.00 1.05 H new ATOM 0 HZ PHE A 83 -7.638 -2.810 3.514 1.00 1.18 H new ATOM 1307 N GLU A 84 -13.893 -5.951 5.167 1.00 0.41 N ATOM 1308 CA GLU A 84 -13.668 -6.550 6.473 1.00 0.48 C ATOM 1309 C GLU A 84 -13.103 -7.938 6.316 1.00 0.52 C ATOM 1310 O GLU A 84 -12.120 -8.309 6.945 1.00 0.55 O ATOM 1311 CB GLU A 84 -14.966 -6.665 7.245 1.00 0.55 C ATOM 1312 CG GLU A 84 -14.775 -7.218 8.640 1.00 0.62 C ATOM 1313 CD GLU A 84 -15.944 -6.952 9.562 1.00 0.71 C ATOM 1314 OE1 GLU A 84 -17.000 -7.593 9.381 1.00 0.78 O ATOM 1315 OE2 GLU A 84 -15.824 -6.089 10.454 1.00 0.80 O ATOM 0 H GLU A 84 -14.865 -5.705 4.977 1.00 0.41 H new ATOM 0 HA GLU A 84 -12.971 -5.909 7.012 1.00 0.48 H new ATOM 0 HB2 GLU A 84 -15.432 -5.682 7.310 1.00 0.55 H new ATOM 0 HB3 GLU A 84 -15.654 -7.308 6.696 1.00 0.55 H new ATOM 0 HG2 GLU A 84 -14.611 -8.294 8.576 1.00 0.62 H new ATOM 0 HG3 GLU A 84 -13.875 -6.783 9.074 1.00 0.62 H new ATOM 1322 N GLN A 85 -13.767 -8.685 5.468 1.00 0.57 N ATOM 1323 CA GLN A 85 -13.446 -10.079 5.209 1.00 0.65 C ATOM 1324 C GLN A 85 -11.976 -10.276 4.910 1.00 0.64 C ATOM 1325 O GLN A 85 -11.358 -11.256 5.331 1.00 0.71 O ATOM 1326 CB GLN A 85 -14.293 -10.547 4.039 1.00 0.69 C ATOM 1327 CG GLN A 85 -15.747 -10.234 4.251 1.00 0.79 C ATOM 1328 CD GLN A 85 -16.403 -11.131 5.282 1.00 1.13 C ATOM 1329 OE1 GLN A 85 -16.019 -12.288 5.459 1.00 1.44 O ATOM 1330 NE2 GLN A 85 -17.390 -10.600 5.977 1.00 1.62 N ATOM 0 H GLN A 85 -14.560 -8.341 4.926 1.00 0.57 H new ATOM 0 HA GLN A 85 -13.664 -10.667 6.101 1.00 0.65 H new ATOM 0 HB2 GLN A 85 -13.947 -10.068 3.123 1.00 0.69 H new ATOM 0 HB3 GLN A 85 -14.167 -11.621 3.904 1.00 0.69 H new ATOM 0 HG2 GLN A 85 -15.847 -9.195 4.565 1.00 0.79 H new ATOM 0 HG3 GLN A 85 -16.276 -10.332 3.303 1.00 0.79 H new ATOM 0 HE21 GLN A 85 -17.678 -9.638 5.800 1.00 1.62 H new ATOM 0 HE22 GLN A 85 -17.865 -11.152 6.691 1.00 1.62 H new ATOM 1339 N VAL A 86 -11.431 -9.321 4.202 1.00 0.58 N ATOM 1340 CA VAL A 86 -10.062 -9.378 3.764 1.00 0.62 C ATOM 1341 C VAL A 86 -9.119 -8.715 4.764 1.00 0.55 C ATOM 1342 O VAL A 86 -8.059 -9.243 5.071 1.00 0.59 O ATOM 1343 CB VAL A 86 -9.947 -8.742 2.391 1.00 0.70 C ATOM 1344 CG1 VAL A 86 -10.558 -7.383 2.423 1.00 1.13 C ATOM 1345 CG2 VAL A 86 -8.510 -8.720 1.925 1.00 1.30 C ATOM 0 H VAL A 86 -11.927 -8.478 3.912 1.00 0.58 H new ATOM 0 HA VAL A 86 -9.760 -10.423 3.700 1.00 0.62 H new ATOM 0 HB VAL A 86 -10.495 -9.340 1.663 1.00 0.70 H new ATOM 0 HG11 VAL A 86 -10.477 -6.924 1.438 1.00 1.13 H new ATOM 0 HG12 VAL A 86 -11.609 -7.463 2.700 1.00 1.13 H new ATOM 0 HG13 VAL A 86 -10.036 -6.766 3.155 1.00 1.13 H new ATOM 0 HG21 VAL A 86 -8.454 -8.259 0.939 1.00 1.30 H new ATOM 0 HG22 VAL A 86 -7.908 -8.145 2.629 1.00 1.30 H new ATOM 0 HG23 VAL A 86 -8.129 -9.740 1.871 1.00 1.30 H new ATOM 1355 N VAL A 87 -9.515 -7.567 5.298 1.00 0.51 N ATOM 1356 CA VAL A 87 -8.700 -6.897 6.317 1.00 0.51 C ATOM 1357 C VAL A 87 -8.531 -7.820 7.517 1.00 0.56 C ATOM 1358 O VAL A 87 -7.569 -7.733 8.277 1.00 0.60 O ATOM 1359 CB VAL A 87 -9.309 -5.549 6.778 1.00 0.54 C ATOM 1360 CG1 VAL A 87 -10.552 -5.748 7.631 1.00 0.75 C ATOM 1361 CG2 VAL A 87 -8.277 -4.734 7.533 1.00 0.85 C ATOM 0 H VAL A 87 -10.379 -7.083 5.052 1.00 0.51 H new ATOM 0 HA VAL A 87 -7.733 -6.675 5.866 1.00 0.51 H new ATOM 0 HB VAL A 87 -9.610 -5.004 5.883 1.00 0.54 H new ATOM 0 HG11 VAL A 87 -10.946 -4.777 7.932 1.00 0.75 H new ATOM 0 HG12 VAL A 87 -11.307 -6.283 7.055 1.00 0.75 H new ATOM 0 HG13 VAL A 87 -10.295 -6.327 8.518 1.00 0.75 H new ATOM 0 HG21 VAL A 87 -8.720 -3.790 7.850 1.00 0.85 H new ATOM 0 HG22 VAL A 87 -7.943 -5.291 8.409 1.00 0.85 H new ATOM 0 HG23 VAL A 87 -7.425 -4.535 6.883 1.00 0.85 H new ATOM 1371 N ASN A 88 -9.483 -8.725 7.637 1.00 0.61 N ATOM 1372 CA ASN A 88 -9.498 -9.734 8.678 1.00 0.71 C ATOM 1373 C ASN A 88 -8.430 -10.793 8.450 1.00 0.78 C ATOM 1374 O ASN A 88 -7.780 -11.238 9.397 1.00 0.91 O ATOM 1375 CB ASN A 88 -10.873 -10.378 8.725 1.00 0.73 C ATOM 1376 CG ASN A 88 -11.692 -9.898 9.905 1.00 0.78 C ATOM 1377 OD1 ASN A 88 -11.701 -10.522 10.963 1.00 0.87 O ATOM 1378 ND2 ASN A 88 -12.388 -8.787 9.736 1.00 0.73 N ATOM 0 H ASN A 88 -10.281 -8.781 7.004 1.00 0.61 H new ATOM 0 HA ASN A 88 -9.279 -9.251 9.630 1.00 0.71 H new ATOM 0 HB2 ASN A 88 -11.407 -10.157 7.801 1.00 0.73 H new ATOM 0 HB3 ASN A 88 -10.763 -11.461 8.778 1.00 0.73 H new ATOM 0 HD21 ASN A 88 -12.957 -8.421 10.499 1.00 0.73 H new ATOM 0 HD22 ASN A 88 -12.356 -8.296 8.843 1.00 0.73 H new ATOM 1385 N GLU A 89 -8.233 -11.195 7.198 1.00 0.75 N ATOM 1386 CA GLU A 89 -7.244 -12.218 6.905 1.00 0.84 C ATOM 1387 C GLU A 89 -5.862 -11.610 6.929 1.00 0.82 C ATOM 1388 O GLU A 89 -4.881 -12.250 7.324 1.00 0.98 O ATOM 1389 CB GLU A 89 -7.488 -12.916 5.549 1.00 0.87 C ATOM 1390 CG GLU A 89 -7.612 -12.010 4.328 1.00 1.25 C ATOM 1391 CD GLU A 89 -6.297 -11.497 3.793 1.00 2.21 C ATOM 1392 OE1 GLU A 89 -5.238 -11.926 4.291 1.00 2.58 O ATOM 1393 OE2 GLU A 89 -6.321 -10.685 2.853 1.00 2.87 O ATOM 0 H GLU A 89 -8.736 -10.835 6.387 1.00 0.75 H new ATOM 0 HA GLU A 89 -7.333 -12.983 7.676 1.00 0.84 H new ATOM 0 HB2 GLU A 89 -6.670 -13.615 5.373 1.00 0.87 H new ATOM 0 HB3 GLU A 89 -8.400 -13.507 5.629 1.00 0.87 H new ATOM 0 HG2 GLU A 89 -8.123 -12.557 3.536 1.00 1.25 H new ATOM 0 HG3 GLU A 89 -8.242 -11.159 4.586 1.00 1.25 H new ATOM 1400 N LEU A 90 -5.817 -10.355 6.532 1.00 0.69 N ATOM 1401 CA LEU A 90 -4.578 -9.691 6.200 1.00 0.64 C ATOM 1402 C LEU A 90 -3.629 -9.619 7.395 1.00 0.70 C ATOM 1403 O LEU A 90 -2.408 -9.644 7.234 1.00 0.80 O ATOM 1404 CB LEU A 90 -4.904 -8.292 5.697 1.00 0.56 C ATOM 1405 CG LEU A 90 -4.243 -7.873 4.383 1.00 0.67 C ATOM 1406 CD1 LEU A 90 -3.789 -9.052 3.563 1.00 1.25 C ATOM 1407 CD2 LEU A 90 -5.223 -7.043 3.581 1.00 1.28 C ATOM 0 H LEU A 90 -6.644 -9.766 6.431 1.00 0.69 H new ATOM 0 HA LEU A 90 -4.067 -10.265 5.427 1.00 0.64 H new ATOM 0 HB2 LEU A 90 -5.985 -8.215 5.576 1.00 0.56 H new ATOM 0 HB3 LEU A 90 -4.618 -7.576 6.467 1.00 0.56 H new ATOM 0 HG LEU A 90 -3.354 -7.292 4.629 1.00 0.67 H new ATOM 0 HD11 LEU A 90 -3.327 -8.698 2.641 1.00 1.25 H new ATOM 0 HD12 LEU A 90 -3.064 -9.633 4.132 1.00 1.25 H new ATOM 0 HD13 LEU A 90 -4.647 -9.679 3.321 1.00 1.25 H new ATOM 0 HD21 LEU A 90 -4.760 -6.740 2.642 1.00 1.28 H new ATOM 0 HD22 LEU A 90 -6.114 -7.634 3.372 1.00 1.28 H new ATOM 0 HD23 LEU A 90 -5.501 -6.157 4.151 1.00 1.28 H new ATOM 1419 N PHE A 91 -4.190 -9.540 8.596 1.00 0.73 N ATOM 1420 CA PHE A 91 -3.373 -9.361 9.791 1.00 0.82 C ATOM 1421 C PHE A 91 -3.301 -10.630 10.636 1.00 0.91 C ATOM 1422 O PHE A 91 -2.293 -10.890 11.293 1.00 1.06 O ATOM 1423 CB PHE A 91 -3.910 -8.197 10.639 1.00 0.88 C ATOM 1424 CG PHE A 91 -5.109 -8.542 11.481 1.00 1.04 C ATOM 1425 CD1 PHE A 91 -6.383 -8.525 10.940 1.00 1.70 C ATOM 1426 CD2 PHE A 91 -4.957 -8.886 12.816 1.00 1.26 C ATOM 1427 CE1 PHE A 91 -7.483 -8.844 11.713 1.00 2.30 C ATOM 1428 CE2 PHE A 91 -6.052 -9.205 13.593 1.00 1.75 C ATOM 1429 CZ PHE A 91 -7.316 -9.185 13.040 1.00 2.23 C ATOM 0 H PHE A 91 -5.194 -9.596 8.768 1.00 0.73 H new ATOM 0 HA PHE A 91 -2.362 -9.130 9.456 1.00 0.82 H new ATOM 0 HB2 PHE A 91 -3.113 -7.841 11.292 1.00 0.88 H new ATOM 0 HB3 PHE A 91 -4.172 -7.372 9.977 1.00 0.88 H new ATOM 0 HD1 PHE A 91 -6.519 -8.259 9.902 1.00 1.70 H new ATOM 0 HD2 PHE A 91 -3.969 -8.904 13.253 1.00 1.26 H new ATOM 0 HE1 PHE A 91 -8.472 -8.827 11.279 1.00 2.30 H new ATOM 0 HE2 PHE A 91 -5.920 -9.470 14.632 1.00 1.75 H new ATOM 0 HZ PHE A 91 -8.174 -9.436 13.645 1.00 2.23 H new ATOM 1439 N ARG A 92 -4.357 -11.428 10.586 1.00 0.96 N ATOM 1440 CA ARG A 92 -4.523 -12.550 11.511 1.00 1.11 C ATOM 1441 C ARG A 92 -3.454 -13.617 11.308 1.00 0.83 C ATOM 1442 O ARG A 92 -3.162 -14.403 12.209 1.00 0.90 O ATOM 1443 CB ARG A 92 -5.930 -13.150 11.352 1.00 1.53 C ATOM 1444 CG ARG A 92 -5.991 -14.505 10.646 1.00 1.62 C ATOM 1445 CD ARG A 92 -5.731 -14.408 9.161 1.00 2.21 C ATOM 1446 NE ARG A 92 -5.899 -15.696 8.494 1.00 3.27 N ATOM 1447 CZ ARG A 92 -5.525 -15.944 7.239 1.00 4.05 C ATOM 1448 NH1 ARG A 92 -4.975 -14.988 6.499 1.00 3.96 N ATOM 1449 NH2 ARG A 92 -5.719 -17.151 6.720 1.00 5.06 N ATOM 0 H ARG A 92 -5.117 -11.323 9.914 1.00 0.96 H new ATOM 0 HA ARG A 92 -4.406 -12.172 12.526 1.00 1.11 H new ATOM 0 HB2 ARG A 92 -6.375 -13.255 12.341 1.00 1.53 H new ATOM 0 HB3 ARG A 92 -6.547 -12.443 10.798 1.00 1.53 H new ATOM 0 HG2 ARG A 92 -5.258 -15.176 11.095 1.00 1.62 H new ATOM 0 HG3 ARG A 92 -6.973 -14.950 10.809 1.00 1.62 H new ATOM 0 HD2 ARG A 92 -6.411 -13.679 8.720 1.00 2.21 H new ATOM 0 HD3 ARG A 92 -4.718 -14.041 8.993 1.00 2.21 H new ATOM 0 HE ARG A 92 -6.330 -16.455 9.022 1.00 3.27 H new ATOM 0 HH11 ARG A 92 -4.836 -14.056 6.890 1.00 3.96 H new ATOM 0 HH12 ARG A 92 -4.691 -15.185 5.539 1.00 3.96 H new ATOM 0 HH21 ARG A 92 -6.153 -17.884 7.281 1.00 5.06 H new ATOM 0 HH22 ARG A 92 -5.434 -17.345 5.760 1.00 5.06 H new ATOM 1463 N ASP A 93 -2.869 -13.625 10.128 1.00 0.84 N ATOM 1464 CA ASP A 93 -1.947 -14.679 9.738 1.00 1.10 C ATOM 1465 C ASP A 93 -0.510 -14.310 10.051 1.00 1.31 C ATOM 1466 O ASP A 93 0.376 -15.165 10.063 1.00 1.88 O ATOM 1467 CB ASP A 93 -2.114 -14.962 8.249 1.00 1.65 C ATOM 1468 CG ASP A 93 -1.132 -15.989 7.718 1.00 2.40 C ATOM 1469 OD1 ASP A 93 -1.320 -17.194 8.000 1.00 2.58 O ATOM 1470 OD2 ASP A 93 -0.172 -15.599 7.021 1.00 3.12 O ATOM 0 H ASP A 93 -3.015 -12.909 9.416 1.00 0.84 H new ATOM 0 HA ASP A 93 -2.181 -15.575 10.313 1.00 1.10 H new ATOM 0 HB2 ASP A 93 -3.130 -15.312 8.065 1.00 1.65 H new ATOM 0 HB3 ASP A 93 -1.992 -14.032 7.694 1.00 1.65 H new ATOM 1475 N GLY A 94 -0.275 -13.048 10.341 1.00 1.11 N ATOM 1476 CA GLY A 94 1.094 -12.612 10.501 1.00 1.69 C ATOM 1477 C GLY A 94 1.411 -11.372 9.699 1.00 1.62 C ATOM 1478 O GLY A 94 2.140 -11.447 8.711 1.00 2.31 O ATOM 0 H GLY A 94 -0.987 -12.328 10.467 1.00 1.11 H new ATOM 0 HA2 GLY A 94 1.287 -12.416 11.556 1.00 1.69 H new ATOM 0 HA3 GLY A 94 1.764 -13.416 10.198 1.00 1.69 H new ATOM 1482 N VAL A 95 0.855 -10.234 10.093 1.00 0.85 N ATOM 1483 CA VAL A 95 0.995 -9.021 9.298 1.00 0.67 C ATOM 1484 C VAL A 95 2.442 -8.540 9.308 1.00 0.62 C ATOM 1485 O VAL A 95 3.002 -8.127 10.319 1.00 0.61 O ATOM 1486 CB VAL A 95 0.038 -7.891 9.781 1.00 0.59 C ATOM 1487 CG1 VAL A 95 -0.342 -8.085 11.231 1.00 0.84 C ATOM 1488 CG2 VAL A 95 0.648 -6.505 9.579 1.00 1.06 C ATOM 0 H VAL A 95 0.309 -10.125 10.948 1.00 0.85 H new ATOM 0 HA VAL A 95 0.712 -9.268 8.275 1.00 0.67 H new ATOM 0 HB VAL A 95 -0.863 -7.954 9.170 1.00 0.59 H new ATOM 0 HG11 VAL A 95 -1.010 -7.282 11.542 1.00 0.84 H new ATOM 0 HG12 VAL A 95 -0.846 -9.044 11.350 1.00 0.84 H new ATOM 0 HG13 VAL A 95 0.556 -8.069 11.848 1.00 0.84 H new ATOM 0 HG21 VAL A 95 -0.051 -5.745 9.929 1.00 1.06 H new ATOM 0 HG22 VAL A 95 1.577 -6.431 10.144 1.00 1.06 H new ATOM 0 HG23 VAL A 95 0.854 -6.349 8.520 1.00 1.06 H new ATOM 1498 N ASN A 96 3.048 -8.688 8.154 1.00 0.76 N ATOM 1499 CA ASN A 96 4.417 -8.288 7.923 1.00 0.86 C ATOM 1500 C ASN A 96 4.446 -7.057 7.044 1.00 0.72 C ATOM 1501 O ASN A 96 3.404 -6.461 6.762 1.00 0.62 O ATOM 1502 CB ASN A 96 5.186 -9.422 7.238 1.00 1.17 C ATOM 1503 CG ASN A 96 4.408 -10.017 6.084 1.00 1.47 C ATOM 1504 OD1 ASN A 96 4.505 -9.557 4.947 1.00 2.12 O ATOM 1505 ND2 ASN A 96 3.617 -11.035 6.374 1.00 1.67 N ATOM 0 H ASN A 96 2.597 -9.096 7.335 1.00 0.76 H new ATOM 0 HA ASN A 96 4.887 -8.064 8.880 1.00 0.86 H new ATOM 0 HB2 ASN A 96 6.142 -9.044 6.875 1.00 1.17 H new ATOM 0 HB3 ASN A 96 5.408 -10.202 7.967 1.00 1.17 H new ATOM 0 HD21 ASN A 96 3.057 -11.470 5.641 1.00 1.67 H new ATOM 0 HD22 ASN A 96 3.567 -11.385 7.331 1.00 1.67 H new ATOM 1512 N TRP A 97 5.638 -6.699 6.604 1.00 0.77 N ATOM 1513 CA TRP A 97 5.830 -5.574 5.708 1.00 0.72 C ATOM 1514 C TRP A 97 4.965 -5.727 4.457 1.00 0.63 C ATOM 1515 O TRP A 97 4.320 -4.779 4.016 1.00 0.59 O ATOM 1516 CB TRP A 97 7.304 -5.484 5.307 1.00 0.86 C ATOM 1517 CG TRP A 97 8.247 -5.393 6.468 1.00 0.68 C ATOM 1518 CD1 TRP A 97 8.758 -4.256 7.026 1.00 0.83 C ATOM 1519 CD2 TRP A 97 8.802 -6.486 7.210 1.00 1.43 C ATOM 1520 NE1 TRP A 97 9.595 -4.578 8.067 1.00 0.99 N ATOM 1521 CE2 TRP A 97 9.636 -5.939 8.200 1.00 1.60 C ATOM 1522 CE3 TRP A 97 8.670 -7.875 7.135 1.00 2.29 C ATOM 1523 CZ2 TRP A 97 10.336 -6.733 9.103 1.00 2.54 C ATOM 1524 CZ3 TRP A 97 9.364 -8.661 8.033 1.00 3.24 C ATOM 1525 CH2 TRP A 97 10.187 -8.088 9.005 1.00 3.34 C ATOM 0 H TRP A 97 6.501 -7.180 6.858 1.00 0.77 H new ATOM 0 HA TRP A 97 5.534 -4.661 6.225 1.00 0.72 H new ATOM 0 HB2 TRP A 97 7.562 -6.359 4.711 1.00 0.86 H new ATOM 0 HB3 TRP A 97 7.444 -4.611 4.669 1.00 0.86 H new ATOM 0 HD1 TRP A 97 8.537 -3.251 6.697 1.00 0.83 H new ATOM 0 HE1 TRP A 97 10.103 -3.910 8.647 1.00 0.99 H new ATOM 0 HE3 TRP A 97 8.035 -8.326 6.387 1.00 2.29 H new ATOM 0 HZ2 TRP A 97 10.975 -6.294 9.855 1.00 2.54 H new ATOM 0 HZ3 TRP A 97 9.269 -9.736 7.983 1.00 3.24 H new ATOM 0 HH2 TRP A 97 10.717 -8.729 9.694 1.00 3.34 H new ATOM 1536 N GLY A 98 4.927 -6.942 3.923 1.00 0.69 N ATOM 1537 CA GLY A 98 4.241 -7.196 2.669 1.00 0.69 C ATOM 1538 C GLY A 98 2.733 -7.269 2.807 1.00 0.62 C ATOM 1539 O GLY A 98 2.003 -6.926 1.880 1.00 0.61 O ATOM 0 H GLY A 98 5.364 -7.764 4.341 1.00 0.69 H new ATOM 0 HA2 GLY A 98 4.495 -6.409 1.959 1.00 0.69 H new ATOM 0 HA3 GLY A 98 4.605 -8.133 2.249 1.00 0.69 H new ATOM 1543 N ARG A 99 2.261 -7.713 3.965 1.00 0.65 N ATOM 1544 CA ARG A 99 0.825 -7.838 4.212 1.00 0.67 C ATOM 1545 C ARG A 99 0.120 -6.493 4.082 1.00 0.53 C ATOM 1546 O ARG A 99 -0.998 -6.404 3.581 1.00 0.55 O ATOM 1547 CB ARG A 99 0.569 -8.404 5.607 1.00 0.82 C ATOM 1548 CG ARG A 99 0.695 -9.913 5.693 1.00 1.04 C ATOM 1549 CD ARG A 99 -0.313 -10.593 4.790 1.00 1.50 C ATOM 1550 NE ARG A 99 -0.428 -12.021 5.060 1.00 2.48 N ATOM 1551 CZ ARG A 99 -1.544 -12.711 4.859 1.00 3.32 C ATOM 1552 NH1 ARG A 99 -2.632 -12.085 4.435 1.00 3.44 N ATOM 1553 NH2 ARG A 99 -1.575 -14.014 5.106 1.00 4.24 N ATOM 0 H ARG A 99 2.849 -7.993 4.750 1.00 0.65 H new ATOM 0 HA ARG A 99 0.424 -8.519 3.461 1.00 0.67 H new ATOM 0 HB2 ARG A 99 1.271 -7.951 6.306 1.00 0.82 H new ATOM 0 HB3 ARG A 99 -0.432 -8.114 5.927 1.00 0.82 H new ATOM 0 HG2 ARG A 99 1.704 -10.214 5.410 1.00 1.04 H new ATOM 0 HG3 ARG A 99 0.543 -10.236 6.723 1.00 1.04 H new ATOM 0 HD2 ARG A 99 -1.288 -10.122 4.919 1.00 1.50 H new ATOM 0 HD3 ARG A 99 -0.023 -10.445 3.750 1.00 1.50 H new ATOM 0 HE ARG A 99 0.389 -12.514 5.421 1.00 2.48 H new ATOM 0 HH11 ARG A 99 -2.608 -11.080 4.265 1.00 3.44 H new ATOM 0 HH12 ARG A 99 -3.493 -12.609 4.278 1.00 3.44 H new ATOM 0 HH21 ARG A 99 -0.740 -14.488 5.451 1.00 4.24 H new ATOM 0 HH22 ARG A 99 -2.434 -14.542 4.951 1.00 4.24 H new ATOM 1567 N ILE A 100 0.796 -5.453 4.517 1.00 0.44 N ATOM 1568 CA ILE A 100 0.200 -4.133 4.591 1.00 0.36 C ATOM 1569 C ILE A 100 0.138 -3.459 3.223 1.00 0.33 C ATOM 1570 O ILE A 100 -0.798 -2.710 2.934 1.00 0.34 O ATOM 1571 CB ILE A 100 0.969 -3.278 5.605 1.00 0.32 C ATOM 1572 CG1 ILE A 100 0.814 -3.924 6.981 1.00 0.33 C ATOM 1573 CG2 ILE A 100 0.464 -1.846 5.607 1.00 0.34 C ATOM 1574 CD1 ILE A 100 1.640 -3.287 8.063 1.00 0.34 C ATOM 0 H ILE A 100 1.767 -5.495 4.828 1.00 0.44 H new ATOM 0 HA ILE A 100 -0.831 -4.238 4.929 1.00 0.36 H new ATOM 0 HB ILE A 100 2.024 -3.236 5.334 1.00 0.32 H new ATOM 0 HG12 ILE A 100 -0.236 -3.884 7.271 1.00 0.33 H new ATOM 0 HG13 ILE A 100 1.084 -4.977 6.907 1.00 0.33 H new ATOM 0 HG21 ILE A 100 1.027 -1.263 6.335 1.00 0.34 H new ATOM 0 HG22 ILE A 100 0.595 -1.413 4.615 1.00 0.34 H new ATOM 0 HG23 ILE A 100 -0.593 -1.833 5.872 1.00 0.34 H new ATOM 0 HD11 ILE A 100 1.469 -3.808 9.005 1.00 0.34 H new ATOM 0 HD12 ILE A 100 2.696 -3.350 7.800 1.00 0.34 H new ATOM 0 HD13 ILE A 100 1.355 -2.240 8.170 1.00 0.34 H new ATOM 1586 N VAL A 101 1.113 -3.747 2.373 1.00 0.33 N ATOM 1587 CA VAL A 101 1.084 -3.252 1.000 1.00 0.35 C ATOM 1588 C VAL A 101 -0.096 -3.870 0.239 1.00 0.37 C ATOM 1589 O VAL A 101 -0.583 -3.318 -0.744 1.00 0.45 O ATOM 1590 CB VAL A 101 2.417 -3.518 0.238 1.00 0.46 C ATOM 1591 CG1 VAL A 101 3.466 -4.115 1.152 1.00 1.35 C ATOM 1592 CG2 VAL A 101 2.197 -4.394 -0.983 1.00 1.32 C ATOM 0 H VAL A 101 1.928 -4.315 2.604 1.00 0.33 H new ATOM 0 HA VAL A 101 0.958 -2.171 1.053 1.00 0.35 H new ATOM 0 HB VAL A 101 2.787 -2.554 -0.110 1.00 0.46 H new ATOM 0 HG11 VAL A 101 4.383 -4.288 0.589 1.00 1.35 H new ATOM 0 HG12 VAL A 101 3.668 -3.426 1.972 1.00 1.35 H new ATOM 0 HG13 VAL A 101 3.103 -5.061 1.554 1.00 1.35 H new ATOM 0 HG21 VAL A 101 3.148 -4.558 -1.489 1.00 1.32 H new ATOM 0 HG22 VAL A 101 1.781 -5.353 -0.673 1.00 1.32 H new ATOM 0 HG23 VAL A 101 1.504 -3.901 -1.664 1.00 1.32 H new ATOM 1602 N ALA A 102 -0.564 -5.015 0.710 1.00 0.37 N ATOM 1603 CA ALA A 102 -1.741 -5.645 0.134 1.00 0.39 C ATOM 1604 C ALA A 102 -2.997 -5.011 0.696 1.00 0.35 C ATOM 1605 O ALA A 102 -3.952 -4.731 -0.032 1.00 0.34 O ATOM 1606 CB ALA A 102 -1.731 -7.129 0.418 1.00 0.44 C ATOM 0 H ALA A 102 -0.148 -5.526 1.488 1.00 0.37 H new ATOM 0 HA ALA A 102 -1.726 -5.498 -0.946 1.00 0.39 H new ATOM 0 HB1 ALA A 102 -2.618 -7.589 -0.019 1.00 0.44 H new ATOM 0 HB2 ALA A 102 -0.838 -7.577 -0.018 1.00 0.44 H new ATOM 0 HB3 ALA A 102 -1.730 -7.293 1.496 1.00 0.44 H new ATOM 1612 N PHE A 103 -2.971 -4.784 1.999 1.00 0.35 N ATOM 1613 CA PHE A 103 -4.067 -4.143 2.706 1.00 0.34 C ATOM 1614 C PHE A 103 -4.418 -2.799 2.083 1.00 0.31 C ATOM 1615 O PHE A 103 -5.560 -2.567 1.685 1.00 0.32 O ATOM 1616 CB PHE A 103 -3.686 -3.983 4.183 1.00 0.36 C ATOM 1617 CG PHE A 103 -4.499 -2.961 4.927 1.00 0.62 C ATOM 1618 CD1 PHE A 103 -5.752 -3.288 5.426 1.00 0.67 C ATOM 1619 CD2 PHE A 103 -4.018 -1.681 5.128 1.00 1.03 C ATOM 1620 CE1 PHE A 103 -6.504 -2.357 6.110 1.00 1.09 C ATOM 1621 CE2 PHE A 103 -4.769 -0.746 5.812 1.00 1.48 C ATOM 1622 CZ PHE A 103 -5.990 -1.062 6.298 1.00 1.49 C ATOM 0 H PHE A 103 -2.186 -5.040 2.598 1.00 0.35 H new ATOM 0 HA PHE A 103 -4.955 -4.771 2.629 1.00 0.34 H new ATOM 0 HB2 PHE A 103 -3.794 -4.947 4.680 1.00 0.36 H new ATOM 0 HB3 PHE A 103 -2.633 -3.708 4.246 1.00 0.36 H new ATOM 0 HD1 PHE A 103 -6.143 -4.284 5.277 1.00 0.67 H new ATOM 0 HD2 PHE A 103 -3.045 -1.409 4.746 1.00 1.03 H new ATOM 0 HE1 PHE A 103 -7.477 -2.620 6.497 1.00 1.09 H new ATOM 0 HE2 PHE A 103 -4.376 0.249 5.960 1.00 1.48 H new ATOM 0 HZ PHE A 103 -6.569 -0.322 6.829 1.00 1.49 H new ATOM 1632 N PHE A 104 -3.426 -1.927 1.969 1.00 0.33 N ATOM 1633 CA PHE A 104 -3.663 -0.588 1.459 1.00 0.40 C ATOM 1634 C PHE A 104 -3.966 -0.637 -0.039 1.00 0.39 C ATOM 1635 O PHE A 104 -4.580 0.277 -0.593 1.00 0.47 O ATOM 1636 CB PHE A 104 -2.460 0.320 1.773 1.00 0.56 C ATOM 1637 CG PHE A 104 -1.489 0.513 0.642 1.00 0.97 C ATOM 1638 CD1 PHE A 104 -0.813 -0.569 0.117 1.00 1.47 C ATOM 1639 CD2 PHE A 104 -1.254 1.764 0.107 1.00 1.79 C ATOM 1640 CE1 PHE A 104 0.080 -0.409 -0.921 1.00 2.61 C ATOM 1641 CE2 PHE A 104 -0.359 1.932 -0.928 1.00 2.90 C ATOM 1642 CZ PHE A 104 0.294 0.893 -1.447 1.00 3.29 C ATOM 0 H PHE A 104 -2.457 -2.122 2.221 1.00 0.33 H new ATOM 0 HA PHE A 104 -4.535 -0.162 1.955 1.00 0.40 H new ATOM 0 HB2 PHE A 104 -2.833 1.297 2.080 1.00 0.56 H new ATOM 0 HB3 PHE A 104 -1.923 -0.098 2.624 1.00 0.56 H new ATOM 0 HD1 PHE A 104 -0.986 -1.554 0.524 1.00 1.47 H new ATOM 0 HD2 PHE A 104 -1.778 2.621 0.504 1.00 1.79 H new ATOM 0 HE1 PHE A 104 0.608 -1.259 -1.327 1.00 2.61 H new ATOM 0 HE2 PHE A 104 -0.184 2.921 -1.324 1.00 2.90 H new ATOM 0 HZ PHE A 104 0.984 1.040 -2.265 1.00 3.29 H new ATOM 1652 N SER A 105 -3.559 -1.729 -0.679 1.00 0.37 N ATOM 1653 CA SER A 105 -3.795 -1.920 -2.098 1.00 0.44 C ATOM 1654 C SER A 105 -5.264 -2.228 -2.354 1.00 0.40 C ATOM 1655 O SER A 105 -5.907 -1.585 -3.184 1.00 0.45 O ATOM 1656 CB SER A 105 -2.913 -3.051 -2.638 1.00 0.50 C ATOM 1657 OG SER A 105 -3.067 -3.207 -4.039 1.00 1.19 O ATOM 0 H SER A 105 -3.061 -2.498 -0.230 1.00 0.37 H new ATOM 0 HA SER A 105 -3.537 -0.998 -2.619 1.00 0.44 H new ATOM 0 HB2 SER A 105 -1.869 -2.841 -2.407 1.00 0.50 H new ATOM 0 HB3 SER A 105 -3.169 -3.984 -2.137 1.00 0.50 H new ATOM 0 HG SER A 105 -2.933 -2.343 -4.481 1.00 1.19 H new ATOM 1663 N PHE A 106 -5.803 -3.196 -1.622 1.00 0.35 N ATOM 1664 CA PHE A 106 -7.187 -3.597 -1.813 1.00 0.37 C ATOM 1665 C PHE A 106 -8.126 -2.503 -1.316 1.00 0.31 C ATOM 1666 O PHE A 106 -9.245 -2.379 -1.791 1.00 0.30 O ATOM 1667 CB PHE A 106 -7.480 -4.913 -1.097 1.00 0.46 C ATOM 1668 CG PHE A 106 -8.692 -5.628 -1.623 1.00 0.99 C ATOM 1669 CD1 PHE A 106 -8.649 -6.280 -2.844 1.00 1.56 C ATOM 1670 CD2 PHE A 106 -9.874 -5.647 -0.900 1.00 1.64 C ATOM 1671 CE1 PHE A 106 -9.759 -6.938 -3.334 1.00 2.46 C ATOM 1672 CE2 PHE A 106 -10.988 -6.304 -1.385 1.00 2.53 C ATOM 1673 CZ PHE A 106 -10.931 -6.950 -2.604 1.00 2.89 C ATOM 0 H PHE A 106 -5.305 -3.713 -0.897 1.00 0.35 H new ATOM 0 HA PHE A 106 -7.353 -3.748 -2.880 1.00 0.37 H new ATOM 0 HB2 PHE A 106 -6.614 -5.568 -1.190 1.00 0.46 H new ATOM 0 HB3 PHE A 106 -7.618 -4.716 -0.034 1.00 0.46 H new ATOM 0 HD1 PHE A 106 -7.735 -6.274 -3.420 1.00 1.56 H new ATOM 0 HD2 PHE A 106 -9.925 -5.142 0.054 1.00 1.64 H new ATOM 0 HE1 PHE A 106 -9.711 -7.443 -4.287 1.00 2.46 H new ATOM 0 HE2 PHE A 106 -11.903 -6.312 -0.811 1.00 2.53 H new ATOM 0 HZ PHE A 106 -11.801 -7.463 -2.986 1.00 2.89 H new ATOM 1683 N GLY A 107 -7.663 -1.706 -0.360 1.00 0.30 N ATOM 1684 CA GLY A 107 -8.445 -0.571 0.085 1.00 0.28 C ATOM 1685 C GLY A 107 -8.498 0.511 -0.972 1.00 0.24 C ATOM 1686 O GLY A 107 -9.515 1.183 -1.137 1.00 0.27 O ATOM 0 H GLY A 107 -6.766 -1.825 0.111 1.00 0.30 H new ATOM 0 HA2 GLY A 107 -9.457 -0.896 0.326 1.00 0.28 H new ATOM 0 HA3 GLY A 107 -8.014 -0.167 1.001 1.00 0.28 H new ATOM 1690 N GLY A 108 -7.398 0.680 -1.691 1.00 0.23 N ATOM 1691 CA GLY A 108 -7.388 1.591 -2.813 1.00 0.22 C ATOM 1692 C GLY A 108 -8.239 1.059 -3.947 1.00 0.22 C ATOM 1693 O GLY A 108 -8.874 1.814 -4.681 1.00 0.23 O ATOM 0 H GLY A 108 -6.514 0.202 -1.516 1.00 0.23 H new ATOM 0 HA2 GLY A 108 -7.761 2.566 -2.499 1.00 0.22 H new ATOM 0 HA3 GLY A 108 -6.365 1.738 -3.159 1.00 0.22 H new ATOM 1697 N ALA A 109 -8.243 -0.260 -4.077 1.00 0.24 N ATOM 1698 CA ALA A 109 -9.071 -0.949 -5.053 1.00 0.26 C ATOM 1699 C ALA A 109 -10.544 -0.857 -4.669 1.00 0.27 C ATOM 1700 O ALA A 109 -11.413 -0.749 -5.531 1.00 0.31 O ATOM 1701 CB ALA A 109 -8.640 -2.402 -5.145 1.00 0.29 C ATOM 0 H ALA A 109 -7.671 -0.883 -3.507 1.00 0.24 H new ATOM 0 HA ALA A 109 -8.944 -0.473 -6.025 1.00 0.26 H new ATOM 0 HB1 ALA A 109 -9.260 -2.920 -5.877 1.00 0.29 H new ATOM 0 HB2 ALA A 109 -7.596 -2.453 -5.453 1.00 0.29 H new ATOM 0 HB3 ALA A 109 -8.754 -2.878 -4.171 1.00 0.29 H new ATOM 1707 N LEU A 110 -10.791 -0.856 -3.363 1.00 0.25 N ATOM 1708 CA LEU A 110 -12.141 -0.780 -2.806 1.00 0.28 C ATOM 1709 C LEU A 110 -12.793 0.502 -3.289 1.00 0.24 C ATOM 1710 O LEU A 110 -13.981 0.552 -3.623 1.00 0.24 O ATOM 1711 CB LEU A 110 -12.050 -0.776 -1.275 1.00 0.32 C ATOM 1712 CG LEU A 110 -13.029 -1.684 -0.517 1.00 0.45 C ATOM 1713 CD1 LEU A 110 -14.462 -1.211 -0.660 1.00 1.11 C ATOM 1714 CD2 LEU A 110 -12.897 -3.128 -0.981 1.00 1.12 C ATOM 0 H LEU A 110 -10.058 -0.908 -2.656 1.00 0.25 H new ATOM 0 HA LEU A 110 -12.735 -1.635 -3.127 1.00 0.28 H new ATOM 0 HB2 LEU A 110 -11.036 -1.062 -0.995 1.00 0.32 H new ATOM 0 HB3 LEU A 110 -12.199 0.247 -0.929 1.00 0.32 H new ATOM 0 HG LEU A 110 -12.767 -1.631 0.540 1.00 0.45 H new ATOM 0 HD11 LEU A 110 -15.123 -1.880 -0.109 1.00 1.11 H new ATOM 0 HD12 LEU A 110 -14.553 -0.201 -0.260 1.00 1.11 H new ATOM 0 HD13 LEU A 110 -14.742 -1.211 -1.713 1.00 1.11 H new ATOM 0 HD21 LEU A 110 -13.600 -3.753 -0.430 1.00 1.12 H new ATOM 0 HD22 LEU A 110 -13.115 -3.189 -2.047 1.00 1.12 H new ATOM 0 HD23 LEU A 110 -11.881 -3.477 -0.798 1.00 1.12 H new ATOM 1726 N CYS A 111 -11.971 1.539 -3.312 1.00 0.21 N ATOM 1727 CA CYS A 111 -12.333 2.828 -3.860 1.00 0.19 C ATOM 1728 C CYS A 111 -12.863 2.677 -5.281 1.00 0.20 C ATOM 1729 O CYS A 111 -13.976 3.105 -5.586 1.00 0.26 O ATOM 1730 CB CYS A 111 -11.095 3.715 -3.840 1.00 0.20 C ATOM 1731 SG CYS A 111 -11.295 5.313 -4.641 1.00 0.22 S ATOM 0 H CYS A 111 -11.020 1.504 -2.944 1.00 0.21 H new ATOM 0 HA CYS A 111 -13.125 3.279 -3.262 1.00 0.19 H new ATOM 0 HB2 CYS A 111 -10.800 3.879 -2.804 1.00 0.20 H new ATOM 0 HB3 CYS A 111 -10.276 3.182 -4.324 1.00 0.20 H new ATOM 0 HG CYS A 111 -10.264 6.061 -4.381 1.00 0.22 H new ATOM 1737 N VAL A 112 -12.080 2.028 -6.134 1.00 0.20 N ATOM 1738 CA VAL A 112 -12.454 1.850 -7.529 1.00 0.22 C ATOM 1739 C VAL A 112 -13.685 0.961 -7.657 1.00 0.22 C ATOM 1740 O VAL A 112 -14.543 1.215 -8.494 1.00 0.26 O ATOM 1741 CB VAL A 112 -11.305 1.258 -8.365 1.00 0.26 C ATOM 1742 CG1 VAL A 112 -11.762 0.988 -9.785 1.00 0.35 C ATOM 1743 CG2 VAL A 112 -10.121 2.202 -8.378 1.00 0.27 C ATOM 0 H VAL A 112 -11.181 1.616 -5.882 1.00 0.20 H new ATOM 0 HA VAL A 112 -12.683 2.842 -7.918 1.00 0.22 H new ATOM 0 HB VAL A 112 -11.003 0.316 -7.908 1.00 0.26 H new ATOM 0 HG11 VAL A 112 -10.936 0.570 -10.360 1.00 0.35 H new ATOM 0 HG12 VAL A 112 -12.590 0.280 -9.772 1.00 0.35 H new ATOM 0 HG13 VAL A 112 -12.089 1.920 -10.245 1.00 0.35 H new ATOM 0 HG21 VAL A 112 -9.317 1.769 -8.973 1.00 0.27 H new ATOM 0 HG22 VAL A 112 -10.421 3.156 -8.812 1.00 0.27 H new ATOM 0 HG23 VAL A 112 -9.772 2.362 -7.358 1.00 0.27 H new ATOM 1753 N GLU A 113 -13.775 -0.072 -6.827 1.00 0.23 N ATOM 1754 CA GLU A 113 -14.957 -0.929 -6.807 1.00 0.28 C ATOM 1755 C GLU A 113 -16.210 -0.096 -6.557 1.00 0.23 C ATOM 1756 O GLU A 113 -17.279 -0.377 -7.103 1.00 0.29 O ATOM 1757 CB GLU A 113 -14.823 -2.015 -5.735 1.00 0.40 C ATOM 1758 CG GLU A 113 -13.806 -3.093 -6.074 1.00 0.53 C ATOM 1759 CD GLU A 113 -13.445 -3.966 -4.893 1.00 1.86 C ATOM 1760 OE1 GLU A 113 -14.122 -4.996 -4.696 1.00 2.34 O ATOM 1761 OE2 GLU A 113 -12.482 -3.632 -4.178 1.00 2.51 O ATOM 0 H GLU A 113 -13.048 -0.336 -6.162 1.00 0.23 H new ATOM 0 HA GLU A 113 -15.043 -1.414 -7.779 1.00 0.28 H new ATOM 0 HB2 GLU A 113 -14.542 -1.548 -4.791 1.00 0.40 H new ATOM 0 HB3 GLU A 113 -15.796 -2.482 -5.582 1.00 0.40 H new ATOM 0 HG2 GLU A 113 -14.203 -3.720 -6.872 1.00 0.53 H new ATOM 0 HG3 GLU A 113 -12.902 -2.622 -6.459 1.00 0.53 H new ATOM 1768 N SER A 114 -16.061 0.950 -5.760 1.00 0.18 N ATOM 1769 CA SER A 114 -17.162 1.844 -5.459 1.00 0.19 C ATOM 1770 C SER A 114 -17.436 2.728 -6.664 1.00 0.22 C ATOM 1771 O SER A 114 -18.578 2.962 -7.037 1.00 0.28 O ATOM 1772 CB SER A 114 -16.818 2.687 -4.235 1.00 0.18 C ATOM 1773 OG SER A 114 -16.529 1.859 -3.122 1.00 0.20 O ATOM 0 H SER A 114 -15.181 1.200 -5.308 1.00 0.18 H new ATOM 0 HA SER A 114 -18.060 1.266 -5.238 1.00 0.19 H new ATOM 0 HB2 SER A 114 -15.960 3.322 -4.454 1.00 0.18 H new ATOM 0 HB3 SER A 114 -17.651 3.348 -3.996 1.00 0.18 H new ATOM 0 HG SER A 114 -15.673 1.404 -3.266 1.00 0.20 H new ATOM 1779 N VAL A 115 -16.363 3.148 -7.305 1.00 0.21 N ATOM 1780 CA VAL A 115 -16.434 4.013 -8.470 1.00 0.27 C ATOM 1781 C VAL A 115 -17.083 3.266 -9.618 1.00 0.28 C ATOM 1782 O VAL A 115 -17.815 3.832 -10.429 1.00 0.31 O ATOM 1783 CB VAL A 115 -15.021 4.446 -8.882 1.00 0.34 C ATOM 1784 CG1 VAL A 115 -15.054 5.290 -10.136 1.00 1.23 C ATOM 1785 CG2 VAL A 115 -14.352 5.184 -7.743 1.00 1.10 C ATOM 0 H VAL A 115 -15.412 2.899 -7.032 1.00 0.21 H new ATOM 0 HA VAL A 115 -17.026 4.895 -8.225 1.00 0.27 H new ATOM 0 HB VAL A 115 -14.436 3.554 -9.106 1.00 0.34 H new ATOM 0 HG11 VAL A 115 -14.039 5.583 -10.405 1.00 1.23 H new ATOM 0 HG12 VAL A 115 -15.493 4.714 -10.951 1.00 1.23 H new ATOM 0 HG13 VAL A 115 -15.654 6.183 -9.958 1.00 1.23 H new ATOM 0 HG21 VAL A 115 -13.350 5.487 -8.045 1.00 1.10 H new ATOM 0 HG22 VAL A 115 -14.937 6.068 -7.488 1.00 1.10 H new ATOM 0 HG23 VAL A 115 -14.287 4.529 -6.874 1.00 1.10 H new ATOM 1795 N ASP A 116 -16.797 1.983 -9.639 1.00 0.28 N ATOM 1796 CA ASP A 116 -17.318 1.050 -10.617 1.00 0.34 C ATOM 1797 C ASP A 116 -18.835 1.136 -10.706 1.00 0.35 C ATOM 1798 O ASP A 116 -19.406 1.247 -11.792 1.00 0.41 O ATOM 1799 CB ASP A 116 -16.897 -0.347 -10.184 1.00 0.37 C ATOM 1800 CG ASP A 116 -17.179 -1.412 -11.225 1.00 0.48 C ATOM 1801 OD1 ASP A 116 -16.490 -1.440 -12.270 1.00 0.60 O ATOM 1802 OD2 ASP A 116 -18.106 -2.222 -11.015 1.00 0.60 O ATOM 0 H ASP A 116 -16.177 1.546 -8.957 1.00 0.28 H new ATOM 0 HA ASP A 116 -16.923 1.288 -11.605 1.00 0.34 H new ATOM 0 HB2 ASP A 116 -15.831 -0.343 -9.959 1.00 0.37 H new ATOM 0 HB3 ASP A 116 -17.417 -0.605 -9.261 1.00 0.37 H new ATOM 1807 N LYS A 117 -19.483 1.099 -9.548 1.00 0.32 N ATOM 1808 CA LYS A 117 -20.935 1.183 -9.474 1.00 0.35 C ATOM 1809 C LYS A 117 -21.382 2.644 -9.401 1.00 0.34 C ATOM 1810 O LYS A 117 -22.541 2.934 -9.106 1.00 0.37 O ATOM 1811 CB LYS A 117 -21.443 0.429 -8.238 1.00 0.37 C ATOM 1812 CG LYS A 117 -20.538 -0.707 -7.775 1.00 0.36 C ATOM 1813 CD LYS A 117 -20.337 -1.750 -8.851 1.00 0.45 C ATOM 1814 CE LYS A 117 -19.652 -2.988 -8.306 1.00 0.61 C ATOM 1815 NZ LYS A 117 -19.523 -4.043 -9.344 1.00 1.62 N ATOM 0 H LYS A 117 -19.022 1.011 -8.643 1.00 0.32 H new ATOM 0 HA LYS A 117 -21.353 0.729 -10.372 1.00 0.35 H new ATOM 0 HB2 LYS A 117 -21.563 1.138 -7.419 1.00 0.37 H new ATOM 0 HB3 LYS A 117 -22.431 0.024 -8.456 1.00 0.37 H new ATOM 0 HG2 LYS A 117 -19.571 -0.301 -7.479 1.00 0.36 H new ATOM 0 HG3 LYS A 117 -20.970 -1.177 -6.892 1.00 0.36 H new ATOM 0 HD2 LYS A 117 -21.302 -2.025 -9.277 1.00 0.45 H new ATOM 0 HD3 LYS A 117 -19.740 -1.329 -9.660 1.00 0.45 H new ATOM 0 HE2 LYS A 117 -18.663 -2.722 -7.931 1.00 0.61 H new ATOM 0 HE3 LYS A 117 -20.220 -3.376 -7.460 1.00 0.61 H new ATOM 0 HZ1 LYS A 117 -19.208 -4.930 -8.901 1.00 1.62 H new ATOM 0 HZ2 LYS A 117 -20.444 -4.193 -9.803 1.00 1.62 H new ATOM 0 HZ3 LYS A 117 -18.826 -3.746 -10.056 1.00 1.62 H new ATOM 1829 N GLU A 118 -20.444 3.550 -9.675 1.00 0.31 N ATOM 1830 CA GLU A 118 -20.679 4.991 -9.597 1.00 0.33 C ATOM 1831 C GLU A 118 -21.084 5.395 -8.186 1.00 0.31 C ATOM 1832 O GLU A 118 -22.020 6.165 -7.974 1.00 0.38 O ATOM 1833 CB GLU A 118 -21.716 5.442 -10.627 1.00 0.40 C ATOM 1834 CG GLU A 118 -21.245 5.256 -12.059 1.00 0.49 C ATOM 1835 CD GLU A 118 -22.189 5.872 -13.065 1.00 1.12 C ATOM 1836 OE1 GLU A 118 -23.157 5.198 -13.470 1.00 1.88 O ATOM 1837 OE2 GLU A 118 -21.964 7.035 -13.463 1.00 1.07 O ATOM 0 H GLU A 118 -19.496 3.304 -9.959 1.00 0.31 H new ATOM 0 HA GLU A 118 -19.744 5.499 -9.836 1.00 0.33 H new ATOM 0 HB2 GLU A 118 -22.638 4.880 -10.477 1.00 0.40 H new ATOM 0 HB3 GLU A 118 -21.953 6.493 -10.461 1.00 0.40 H new ATOM 0 HG2 GLU A 118 -20.257 5.701 -12.173 1.00 0.49 H new ATOM 0 HG3 GLU A 118 -21.141 4.191 -12.268 1.00 0.49 H new ATOM 1844 N MET A 119 -20.335 4.874 -7.232 1.00 0.26 N ATOM 1845 CA MET A 119 -20.533 5.161 -5.821 1.00 0.26 C ATOM 1846 C MET A 119 -19.268 5.819 -5.301 1.00 0.25 C ATOM 1847 O MET A 119 -18.736 5.469 -4.253 1.00 0.23 O ATOM 1848 CB MET A 119 -20.810 3.873 -5.044 1.00 0.25 C ATOM 1849 CG MET A 119 -21.956 3.049 -5.599 1.00 0.28 C ATOM 1850 SD MET A 119 -22.111 1.459 -4.766 1.00 0.31 S ATOM 1851 CE MET A 119 -20.414 0.891 -4.848 1.00 0.29 C ATOM 0 H MET A 119 -19.563 4.233 -7.416 1.00 0.26 H new ATOM 0 HA MET A 119 -21.391 5.820 -5.690 1.00 0.26 H new ATOM 0 HB2 MET A 119 -19.907 3.263 -5.039 1.00 0.25 H new ATOM 0 HB3 MET A 119 -21.028 4.127 -4.007 1.00 0.25 H new ATOM 0 HG2 MET A 119 -22.887 3.606 -5.493 1.00 0.28 H new ATOM 0 HG3 MET A 119 -21.802 2.886 -6.666 1.00 0.28 H new ATOM 0 HE1 MET A 119 -20.391 -0.197 -4.783 1.00 0.29 H new ATOM 0 HE2 MET A 119 -19.970 1.207 -5.792 1.00 0.29 H new ATOM 0 HE3 MET A 119 -19.848 1.316 -4.020 1.00 0.29 H new ATOM 1861 N GLN A 120 -18.792 6.771 -6.077 1.00 0.31 N ATOM 1862 CA GLN A 120 -17.544 7.463 -5.830 1.00 0.31 C ATOM 1863 C GLN A 120 -17.528 8.220 -4.497 1.00 0.32 C ATOM 1864 O GLN A 120 -16.500 8.759 -4.097 1.00 0.33 O ATOM 1865 CB GLN A 120 -17.305 8.400 -7.000 1.00 0.36 C ATOM 1866 CG GLN A 120 -17.375 7.674 -8.333 1.00 0.36 C ATOM 1867 CD GLN A 120 -18.204 8.400 -9.375 1.00 0.58 C ATOM 1868 OE1 GLN A 120 -18.737 7.649 -10.326 1.00 1.15 O flip ATOM 1869 NE2 GLN A 120 -18.353 9.617 -9.339 1.00 0.55 N flip ATOM 0 H GLN A 120 -19.274 7.092 -6.917 1.00 0.31 H new ATOM 0 HA GLN A 120 -16.741 6.730 -5.747 1.00 0.31 H new ATOM 0 HB2 GLN A 120 -18.047 9.199 -6.983 1.00 0.36 H new ATOM 0 HB3 GLN A 120 -16.327 8.870 -6.894 1.00 0.36 H new ATOM 0 HG2 GLN A 120 -16.364 7.536 -8.716 1.00 0.36 H new ATOM 0 HG3 GLN A 120 -17.794 6.680 -8.175 1.00 0.36 H new ATOM 0 HE21 GLN A 120 -17.926 10.161 -8.589 1.00 0.55 H new ATOM 0 HE22 GLN A 120 -18.904 10.085 -10.059 1.00 0.55 H new ATOM 1878 N VAL A 121 -18.662 8.282 -3.819 1.00 0.32 N ATOM 1879 CA VAL A 121 -18.707 8.855 -2.480 1.00 0.35 C ATOM 1880 C VAL A 121 -17.924 7.994 -1.482 1.00 0.31 C ATOM 1881 O VAL A 121 -17.423 8.499 -0.477 1.00 0.36 O ATOM 1882 CB VAL A 121 -20.153 9.023 -1.979 1.00 0.39 C ATOM 1883 CG1 VAL A 121 -20.901 10.030 -2.835 1.00 0.46 C ATOM 1884 CG2 VAL A 121 -20.871 7.683 -1.970 1.00 0.38 C ATOM 0 H VAL A 121 -19.559 7.946 -4.169 1.00 0.32 H new ATOM 0 HA VAL A 121 -18.244 9.840 -2.547 1.00 0.35 H new ATOM 0 HB VAL A 121 -20.123 9.402 -0.957 1.00 0.39 H new ATOM 0 HG11 VAL A 121 -21.921 10.135 -2.465 1.00 0.46 H new ATOM 0 HG12 VAL A 121 -20.396 10.995 -2.787 1.00 0.46 H new ATOM 0 HG13 VAL A 121 -20.923 9.684 -3.868 1.00 0.46 H new ATOM 0 HG21 VAL A 121 -21.892 7.820 -1.613 1.00 0.38 H new ATOM 0 HG22 VAL A 121 -20.891 7.274 -2.980 1.00 0.38 H new ATOM 0 HG23 VAL A 121 -20.345 6.993 -1.310 1.00 0.38 H new ATOM 1894 N LEU A 122 -17.800 6.698 -1.778 1.00 0.24 N ATOM 1895 CA LEU A 122 -17.065 5.777 -0.910 1.00 0.21 C ATOM 1896 C LEU A 122 -15.582 6.042 -1.003 1.00 0.19 C ATOM 1897 O LEU A 122 -14.845 5.769 -0.068 1.00 0.19 O ATOM 1898 CB LEU A 122 -17.321 4.308 -1.274 1.00 0.18 C ATOM 1899 CG LEU A 122 -18.673 3.721 -0.861 1.00 0.22 C ATOM 1900 CD1 LEU A 122 -18.958 4.008 0.603 1.00 0.26 C ATOM 1901 CD2 LEU A 122 -19.783 4.245 -1.753 1.00 0.22 C ATOM 0 H LEU A 122 -18.198 6.264 -2.611 1.00 0.24 H new ATOM 0 HA LEU A 122 -17.422 5.950 0.105 1.00 0.21 H new ATOM 0 HB2 LEU A 122 -17.221 4.203 -2.354 1.00 0.18 H new ATOM 0 HB3 LEU A 122 -16.535 3.704 -0.821 1.00 0.18 H new ATOM 0 HG LEU A 122 -18.631 2.639 -0.986 1.00 0.22 H new ATOM 0 HD11 LEU A 122 -19.924 3.582 0.876 1.00 0.26 H new ATOM 0 HD12 LEU A 122 -18.178 3.562 1.220 1.00 0.26 H new ATOM 0 HD13 LEU A 122 -18.978 5.086 0.765 1.00 0.26 H new ATOM 0 HD21 LEU A 122 -20.734 3.814 -1.441 1.00 0.22 H new ATOM 0 HD22 LEU A 122 -19.832 5.331 -1.673 1.00 0.22 H new ATOM 0 HD23 LEU A 122 -19.581 3.967 -2.787 1.00 0.22 H new ATOM 1913 N VAL A 123 -15.161 6.570 -2.143 1.00 0.19 N ATOM 1914 CA VAL A 123 -13.762 6.898 -2.387 1.00 0.20 C ATOM 1915 C VAL A 123 -13.110 7.585 -1.182 1.00 0.22 C ATOM 1916 O VAL A 123 -12.086 7.126 -0.680 1.00 0.25 O ATOM 1917 CB VAL A 123 -13.652 7.782 -3.643 1.00 0.22 C ATOM 1918 CG1 VAL A 123 -12.246 8.336 -3.825 1.00 0.23 C ATOM 1919 CG2 VAL A 123 -14.088 6.976 -4.861 1.00 0.23 C ATOM 0 H VAL A 123 -15.779 6.784 -2.926 1.00 0.19 H new ATOM 0 HA VAL A 123 -13.221 5.966 -2.548 1.00 0.20 H new ATOM 0 HB VAL A 123 -14.311 8.642 -3.523 1.00 0.22 H new ATOM 0 HG11 VAL A 123 -12.212 8.954 -4.722 1.00 0.23 H new ATOM 0 HG12 VAL A 123 -11.978 8.940 -2.958 1.00 0.23 H new ATOM 0 HG13 VAL A 123 -11.540 7.511 -3.925 1.00 0.23 H new ATOM 0 HG21 VAL A 123 -14.012 7.596 -5.754 1.00 0.23 H new ATOM 0 HG22 VAL A 123 -13.444 6.104 -4.970 1.00 0.23 H new ATOM 0 HG23 VAL A 123 -15.120 6.651 -4.732 1.00 0.23 H new ATOM 1929 N SER A 124 -13.716 8.661 -0.699 1.00 0.24 N ATOM 1930 CA SER A 124 -13.156 9.386 0.438 1.00 0.28 C ATOM 1931 C SER A 124 -13.397 8.615 1.738 1.00 0.27 C ATOM 1932 O SER A 124 -12.557 8.622 2.640 1.00 0.33 O ATOM 1933 CB SER A 124 -13.771 10.784 0.535 1.00 0.36 C ATOM 1934 OG SER A 124 -12.955 11.658 1.301 1.00 1.35 O ATOM 0 H SER A 124 -14.584 9.049 -1.069 1.00 0.24 H new ATOM 0 HA SER A 124 -12.081 9.485 0.285 1.00 0.28 H new ATOM 0 HB2 SER A 124 -13.906 11.194 -0.466 1.00 0.36 H new ATOM 0 HB3 SER A 124 -14.760 10.717 0.988 1.00 0.36 H new ATOM 0 HG SER A 124 -13.491 12.416 1.614 1.00 1.35 H new ATOM 1940 N ARG A 125 -14.541 7.936 1.817 1.00 0.23 N ATOM 1941 CA ARG A 125 -14.922 7.196 3.017 1.00 0.23 C ATOM 1942 C ARG A 125 -13.947 6.064 3.284 1.00 0.21 C ATOM 1943 O ARG A 125 -13.428 5.929 4.387 1.00 0.25 O ATOM 1944 CB ARG A 125 -16.326 6.610 2.869 1.00 0.28 C ATOM 1945 CG ARG A 125 -17.393 7.623 2.505 1.00 0.55 C ATOM 1946 CD ARG A 125 -18.771 7.003 2.571 1.00 0.55 C ATOM 1947 NE ARG A 125 -19.831 7.961 2.265 1.00 1.44 N ATOM 1948 CZ ARG A 125 -21.104 7.789 2.621 1.00 1.65 C ATOM 1949 NH1 ARG A 125 -21.456 6.726 3.336 1.00 1.06 N ATOM 1950 NH2 ARG A 125 -22.023 8.683 2.279 1.00 2.67 N ATOM 0 H ARG A 125 -15.222 7.884 1.060 1.00 0.23 H new ATOM 0 HA ARG A 125 -14.905 7.896 3.852 1.00 0.23 H new ATOM 0 HB2 ARG A 125 -16.304 5.834 2.104 1.00 0.28 H new ATOM 0 HB3 ARG A 125 -16.605 6.127 3.805 1.00 0.28 H new ATOM 0 HG2 ARG A 125 -17.340 8.473 3.185 1.00 0.55 H new ATOM 0 HG3 ARG A 125 -17.210 8.005 1.501 1.00 0.55 H new ATOM 0 HD2 ARG A 125 -18.825 6.170 1.870 1.00 0.55 H new ATOM 0 HD3 ARG A 125 -18.934 6.592 3.567 1.00 0.55 H new ATOM 0 HE ARG A 125 -19.584 8.807 1.751 1.00 1.44 H new ATOM 0 HH11 ARG A 125 -20.752 6.042 3.613 1.00 1.06 H new ATOM 0 HH12 ARG A 125 -22.430 6.594 3.608 1.00 1.06 H new ATOM 0 HH21 ARG A 125 -21.757 9.508 1.741 1.00 2.67 H new ATOM 0 HH22 ARG A 125 -22.995 8.546 2.554 1.00 2.67 H new ATOM 1964 N ILE A 126 -13.712 5.252 2.266 1.00 0.19 N ATOM 1965 CA ILE A 126 -12.814 4.114 2.374 1.00 0.19 C ATOM 1966 C ILE A 126 -11.452 4.553 2.873 1.00 0.20 C ATOM 1967 O ILE A 126 -10.917 3.973 3.809 1.00 0.23 O ATOM 1968 CB ILE A 126 -12.672 3.393 1.020 1.00 0.19 C ATOM 1969 CG1 ILE A 126 -14.046 2.885 0.580 1.00 0.18 C ATOM 1970 CG2 ILE A 126 -11.670 2.243 1.121 1.00 0.22 C ATOM 1971 CD1 ILE A 126 -14.085 2.350 -0.826 1.00 0.18 C ATOM 0 H ILE A 126 -14.136 5.362 1.345 1.00 0.19 H new ATOM 0 HA ILE A 126 -13.244 3.417 3.093 1.00 0.19 H new ATOM 0 HB ILE A 126 -12.292 4.092 0.275 1.00 0.19 H new ATOM 0 HG12 ILE A 126 -14.367 2.100 1.265 1.00 0.18 H new ATOM 0 HG13 ILE A 126 -14.767 3.698 0.667 1.00 0.18 H new ATOM 0 HG21 ILE A 126 -11.586 1.748 0.154 1.00 0.22 H new ATOM 0 HG22 ILE A 126 -10.696 2.634 1.415 1.00 0.22 H new ATOM 0 HG23 ILE A 126 -12.013 1.526 1.867 1.00 0.22 H new ATOM 0 HD11 ILE A 126 -15.094 2.011 -1.058 1.00 0.18 H new ATOM 0 HD12 ILE A 126 -13.797 3.137 -1.523 1.00 0.18 H new ATOM 0 HD13 ILE A 126 -13.391 1.514 -0.917 1.00 0.18 H new ATOM 1983 N ALA A 127 -10.919 5.607 2.271 1.00 0.21 N ATOM 1984 CA ALA A 127 -9.616 6.137 2.650 1.00 0.24 C ATOM 1985 C ALA A 127 -9.560 6.511 4.129 1.00 0.24 C ATOM 1986 O ALA A 127 -8.486 6.520 4.734 1.00 0.29 O ATOM 1987 CB ALA A 127 -9.288 7.348 1.807 1.00 0.27 C ATOM 0 H ALA A 127 -11.373 6.116 1.512 1.00 0.21 H new ATOM 0 HA ALA A 127 -8.879 5.353 2.476 1.00 0.24 H new ATOM 0 HB1 ALA A 127 -8.312 7.739 2.096 1.00 0.27 H new ATOM 0 HB2 ALA A 127 -9.268 7.064 0.755 1.00 0.27 H new ATOM 0 HB3 ALA A 127 -10.047 8.115 1.962 1.00 0.27 H new ATOM 1993 N ALA A 128 -10.718 6.814 4.704 1.00 0.21 N ATOM 1994 CA ALA A 128 -10.808 7.200 6.099 1.00 0.22 C ATOM 1995 C ALA A 128 -10.495 6.024 6.990 1.00 0.23 C ATOM 1996 O ALA A 128 -9.464 5.992 7.663 1.00 0.28 O ATOM 1997 CB ALA A 128 -12.198 7.732 6.412 1.00 0.23 C ATOM 0 H ALA A 128 -11.614 6.798 4.216 1.00 0.21 H new ATOM 0 HA ALA A 128 -10.079 7.988 6.286 1.00 0.22 H new ATOM 0 HB1 ALA A 128 -12.250 8.018 7.463 1.00 0.23 H new ATOM 0 HB2 ALA A 128 -12.403 8.602 5.789 1.00 0.23 H new ATOM 0 HB3 ALA A 128 -12.938 6.958 6.209 1.00 0.23 H new ATOM 2003 N TRP A 129 -11.369 5.046 6.956 1.00 0.25 N ATOM 2004 CA TRP A 129 -11.239 3.897 7.818 1.00 0.35 C ATOM 2005 C TRP A 129 -10.151 2.949 7.336 1.00 0.25 C ATOM 2006 O TRP A 129 -9.689 2.107 8.094 1.00 0.27 O ATOM 2007 CB TRP A 129 -12.581 3.196 7.988 1.00 0.56 C ATOM 2008 CG TRP A 129 -13.355 3.004 6.726 1.00 0.60 C ATOM 2009 CD1 TRP A 129 -14.338 3.823 6.262 1.00 0.49 C ATOM 2010 CD2 TRP A 129 -13.240 1.934 5.783 1.00 1.73 C ATOM 2011 NE1 TRP A 129 -14.833 3.343 5.083 1.00 1.14 N ATOM 2012 CE2 TRP A 129 -14.179 2.179 4.765 1.00 1.99 C ATOM 2013 CE3 TRP A 129 -12.432 0.798 5.695 1.00 2.63 C ATOM 2014 CZ2 TRP A 129 -14.333 1.327 3.674 1.00 3.08 C ATOM 2015 CZ3 TRP A 129 -12.586 -0.046 4.613 1.00 3.70 C ATOM 2016 CH2 TRP A 129 -13.530 0.222 3.614 1.00 3.91 C ATOM 0 H TRP A 129 -12.180 5.024 6.338 1.00 0.25 H new ATOM 0 HA TRP A 129 -10.926 4.248 8.801 1.00 0.35 H new ATOM 0 HB2 TRP A 129 -12.410 2.221 8.444 1.00 0.56 H new ATOM 0 HB3 TRP A 129 -13.189 3.772 8.686 1.00 0.56 H new ATOM 0 HD1 TRP A 129 -14.677 4.722 6.755 1.00 0.49 H new ATOM 0 HE1 TRP A 129 -15.570 3.779 4.528 1.00 1.14 H new ATOM 0 HE3 TRP A 129 -11.700 0.584 6.460 1.00 2.63 H new ATOM 0 HZ2 TRP A 129 -15.061 1.532 2.903 1.00 3.08 H new ATOM 0 HZ3 TRP A 129 -11.968 -0.928 4.536 1.00 3.70 H new ATOM 0 HH2 TRP A 129 -13.626 -0.457 2.780 1.00 3.91 H new ATOM 2027 N MET A 130 -9.739 3.084 6.081 1.00 0.24 N ATOM 2028 CA MET A 130 -8.601 2.321 5.580 1.00 0.26 C ATOM 2029 C MET A 130 -7.331 2.743 6.307 1.00 0.25 C ATOM 2030 O MET A 130 -6.545 1.907 6.744 1.00 0.29 O ATOM 2031 CB MET A 130 -8.441 2.506 4.074 1.00 0.31 C ATOM 2032 CG MET A 130 -8.683 1.235 3.285 1.00 0.29 C ATOM 2033 SD MET A 130 -7.172 0.297 3.032 1.00 1.08 S ATOM 2034 CE MET A 130 -6.272 1.467 2.026 1.00 0.31 C ATOM 0 H MET A 130 -10.170 3.707 5.398 1.00 0.24 H new ATOM 0 HA MET A 130 -8.783 1.263 5.771 1.00 0.26 H new ATOM 0 HB2 MET A 130 -9.135 3.274 3.734 1.00 0.31 H new ATOM 0 HB3 MET A 130 -7.435 2.870 3.864 1.00 0.31 H new ATOM 0 HG2 MET A 130 -9.410 0.616 3.811 1.00 0.29 H new ATOM 0 HG3 MET A 130 -9.119 1.487 2.318 1.00 0.29 H new ATOM 0 HE1 MET A 130 -6.072 1.028 1.048 1.00 0.31 H new ATOM 0 HE2 MET A 130 -6.865 2.373 1.903 1.00 0.31 H new ATOM 0 HE3 MET A 130 -5.328 1.715 2.512 1.00 0.31 H new ATOM 2044 N ALA A 131 -7.147 4.049 6.464 1.00 0.24 N ATOM 2045 CA ALA A 131 -6.004 4.557 7.205 1.00 0.24 C ATOM 2046 C ALA A 131 -6.191 4.306 8.690 1.00 0.24 C ATOM 2047 O ALA A 131 -5.238 3.982 9.398 1.00 0.25 O ATOM 2048 CB ALA A 131 -5.795 6.035 6.943 1.00 0.25 C ATOM 0 H ALA A 131 -7.769 4.767 6.092 1.00 0.24 H new ATOM 0 HA ALA A 131 -5.115 4.026 6.864 1.00 0.24 H new ATOM 0 HB1 ALA A 131 -4.933 6.387 7.510 1.00 0.25 H new ATOM 0 HB2 ALA A 131 -5.619 6.195 5.879 1.00 0.25 H new ATOM 0 HB3 ALA A 131 -6.682 6.588 7.251 1.00 0.25 H new ATOM 2054 N THR A 132 -7.422 4.471 9.159 1.00 0.26 N ATOM 2055 CA THR A 132 -7.749 4.168 10.545 1.00 0.29 C ATOM 2056 C THR A 132 -7.472 2.699 10.884 1.00 0.30 C ATOM 2057 O THR A 132 -6.899 2.398 11.928 1.00 0.32 O ATOM 2058 CB THR A 132 -9.216 4.491 10.859 1.00 0.32 C ATOM 2059 OG1 THR A 132 -9.424 5.909 10.791 1.00 0.35 O ATOM 2060 CG2 THR A 132 -9.595 3.969 12.237 1.00 0.40 C ATOM 0 H THR A 132 -8.206 4.811 8.602 1.00 0.26 H new ATOM 0 HA THR A 132 -7.106 4.798 11.159 1.00 0.29 H new ATOM 0 HB THR A 132 -9.850 4.000 10.121 1.00 0.32 H new ATOM 0 HG1 THR A 132 -9.471 6.188 9.853 1.00 0.35 H new ATOM 0 HG21 THR A 132 -10.639 4.207 12.442 1.00 0.40 H new ATOM 0 HG22 THR A 132 -9.457 2.888 12.267 1.00 0.40 H new ATOM 0 HG23 THR A 132 -8.961 4.437 12.990 1.00 0.40 H new ATOM 2068 N TYR A 133 -7.885 1.790 10.009 1.00 0.30 N ATOM 2069 CA TYR A 133 -7.630 0.367 10.207 1.00 0.32 C ATOM 2070 C TYR A 133 -6.141 0.109 10.373 1.00 0.32 C ATOM 2071 O TYR A 133 -5.729 -0.684 11.220 1.00 0.37 O ATOM 2072 CB TYR A 133 -8.176 -0.446 9.037 1.00 0.33 C ATOM 2073 CG TYR A 133 -9.467 -1.165 9.349 1.00 0.93 C ATOM 2074 CD1 TYR A 133 -9.541 -2.060 10.408 1.00 1.29 C ATOM 2075 CD2 TYR A 133 -10.610 -0.949 8.590 1.00 1.72 C ATOM 2076 CE1 TYR A 133 -10.718 -2.719 10.702 1.00 1.93 C ATOM 2077 CE2 TYR A 133 -11.791 -1.605 8.879 1.00 2.40 C ATOM 2078 CZ TYR A 133 -11.838 -2.488 9.936 1.00 2.40 C ATOM 2079 OH TYR A 133 -13.012 -3.139 10.235 1.00 3.13 O ATOM 0 H TYR A 133 -8.398 2.012 9.156 1.00 0.30 H new ATOM 0 HA TYR A 133 -8.142 0.054 11.117 1.00 0.32 H new ATOM 0 HB2 TYR A 133 -8.336 0.218 8.188 1.00 0.33 H new ATOM 0 HB3 TYR A 133 -7.427 -1.177 8.733 1.00 0.33 H new ATOM 0 HD1 TYR A 133 -8.664 -2.243 11.011 1.00 1.29 H new ATOM 0 HD2 TYR A 133 -10.575 -0.258 7.761 1.00 1.72 H new ATOM 0 HE1 TYR A 133 -10.760 -3.412 11.529 1.00 1.93 H new ATOM 0 HE2 TYR A 133 -12.672 -1.427 8.280 1.00 2.40 H new ATOM 0 HH TYR A 133 -13.708 -2.866 9.601 1.00 3.13 H new ATOM 2089 N LEU A 134 -5.338 0.790 9.568 1.00 0.29 N ATOM 2090 CA LEU A 134 -3.896 0.738 9.723 1.00 0.30 C ATOM 2091 C LEU A 134 -3.525 1.308 11.093 1.00 0.32 C ATOM 2092 O LEU A 134 -2.814 0.677 11.861 1.00 0.35 O ATOM 2093 CB LEU A 134 -3.209 1.522 8.589 1.00 0.29 C ATOM 2094 CG LEU A 134 -1.717 1.220 8.371 1.00 0.48 C ATOM 2095 CD1 LEU A 134 -1.226 1.849 7.078 1.00 0.95 C ATOM 2096 CD2 LEU A 134 -0.879 1.727 9.530 1.00 0.88 C ATOM 0 H LEU A 134 -5.662 1.383 8.804 1.00 0.29 H new ATOM 0 HA LEU A 134 -3.553 -0.295 9.664 1.00 0.30 H new ATOM 0 HB2 LEU A 134 -3.740 1.319 7.659 1.00 0.29 H new ATOM 0 HB3 LEU A 134 -3.318 2.587 8.792 1.00 0.29 H new ATOM 0 HG LEU A 134 -1.608 0.137 8.308 1.00 0.48 H new ATOM 0 HD11 LEU A 134 -0.168 1.624 6.942 1.00 0.95 H new ATOM 0 HD12 LEU A 134 -1.793 1.446 6.239 1.00 0.95 H new ATOM 0 HD13 LEU A 134 -1.364 2.929 7.124 1.00 0.95 H new ATOM 0 HD21 LEU A 134 0.171 1.499 9.347 1.00 0.88 H new ATOM 0 HD22 LEU A 134 -1.005 2.806 9.625 1.00 0.88 H new ATOM 0 HD23 LEU A 134 -1.201 1.241 10.451 1.00 0.88 H new ATOM 2108 N ASN A 135 -4.048 2.490 11.389 1.00 0.31 N ATOM 2109 CA ASN A 135 -3.801 3.177 12.660 1.00 0.35 C ATOM 2110 C ASN A 135 -4.069 2.279 13.870 1.00 0.38 C ATOM 2111 O ASN A 135 -3.245 2.194 14.783 1.00 0.43 O ATOM 2112 CB ASN A 135 -4.686 4.425 12.751 1.00 0.36 C ATOM 2113 CG ASN A 135 -4.004 5.691 12.282 1.00 0.38 C ATOM 2114 OD1 ASN A 135 -3.440 6.432 13.082 1.00 0.46 O ATOM 2115 ND2 ASN A 135 -4.056 5.953 10.988 1.00 0.34 N ATOM 0 H ASN A 135 -4.659 3.006 10.755 1.00 0.31 H new ATOM 0 HA ASN A 135 -2.747 3.453 12.680 1.00 0.35 H new ATOM 0 HB2 ASN A 135 -5.585 4.266 12.156 1.00 0.36 H new ATOM 0 HB3 ASN A 135 -5.007 4.557 13.784 1.00 0.36 H new ATOM 0 HD21 ASN A 135 -3.617 6.797 10.621 1.00 0.34 H new ATOM 0 HD22 ASN A 135 -4.535 5.311 10.356 1.00 0.34 H new ATOM 2122 N ASP A 136 -5.218 1.617 13.876 1.00 0.38 N ATOM 2123 CA ASP A 136 -5.629 0.808 15.020 1.00 0.42 C ATOM 2124 C ASP A 136 -4.969 -0.568 15.023 1.00 0.40 C ATOM 2125 O ASP A 136 -4.392 -0.991 16.025 1.00 0.43 O ATOM 2126 CB ASP A 136 -7.153 0.655 15.028 1.00 0.45 C ATOM 2127 CG ASP A 136 -7.637 -0.329 16.076 1.00 0.53 C ATOM 2128 OD1 ASP A 136 -7.527 -0.018 17.280 1.00 0.59 O ATOM 2129 OD2 ASP A 136 -8.130 -1.416 15.701 1.00 0.58 O ATOM 0 H ASP A 136 -5.883 1.623 13.103 1.00 0.38 H new ATOM 0 HA ASP A 136 -5.303 1.327 15.921 1.00 0.42 H new ATOM 0 HB2 ASP A 136 -7.611 1.627 15.210 1.00 0.45 H new ATOM 0 HB3 ASP A 136 -7.486 0.325 14.044 1.00 0.45 H new ATOM 2134 N HIS A 137 -5.050 -1.254 13.899 1.00 0.38 N ATOM 2135 CA HIS A 137 -4.634 -2.650 13.816 1.00 0.38 C ATOM 2136 C HIS A 137 -3.167 -2.804 13.424 1.00 0.35 C ATOM 2137 O HIS A 137 -2.401 -3.495 14.093 1.00 0.37 O ATOM 2138 CB HIS A 137 -5.511 -3.363 12.790 1.00 0.40 C ATOM 2139 CG HIS A 137 -6.637 -4.154 13.383 1.00 0.63 C ATOM 2140 ND1 HIS A 137 -7.679 -3.585 14.083 1.00 1.18 N ATOM 2141 CD2 HIS A 137 -6.887 -5.483 13.362 1.00 1.45 C ATOM 2142 CE1 HIS A 137 -8.518 -4.530 14.460 1.00 1.13 C ATOM 2143 NE2 HIS A 137 -8.064 -5.691 14.036 1.00 1.34 N ATOM 0 H HIS A 137 -5.402 -0.868 13.023 1.00 0.38 H new ATOM 0 HA HIS A 137 -4.749 -3.091 14.806 1.00 0.38 H new ATOM 0 HB2 HIS A 137 -5.924 -2.622 12.106 1.00 0.40 H new ATOM 0 HB3 HIS A 137 -4.886 -4.031 12.197 1.00 0.40 H new ATOM 0 HD1 HIS A 137 -7.785 -2.590 14.279 1.00 1.18 H new ATOM 0 HD2 HIS A 137 -6.273 -6.241 12.900 1.00 1.45 H new ATOM 0 HE1 HIS A 137 -9.427 -4.377 15.023 1.00 1.13 H new ATOM 2152 N LEU A 138 -2.786 -2.147 12.344 1.00 0.32 N ATOM 2153 CA LEU A 138 -1.506 -2.375 11.707 1.00 0.29 C ATOM 2154 C LEU A 138 -0.356 -1.641 12.373 1.00 0.27 C ATOM 2155 O LEU A 138 0.695 -2.222 12.603 1.00 0.27 O ATOM 2156 CB LEU A 138 -1.627 -1.932 10.265 1.00 0.30 C ATOM 2157 CG LEU A 138 -1.729 -3.057 9.258 1.00 0.59 C ATOM 2158 CD1 LEU A 138 -2.426 -4.277 9.842 1.00 1.20 C ATOM 2159 CD2 LEU A 138 -2.452 -2.580 8.017 1.00 1.20 C ATOM 0 H LEU A 138 -3.358 -1.439 11.884 1.00 0.32 H new ATOM 0 HA LEU A 138 -1.271 -3.436 11.791 1.00 0.29 H new ATOM 0 HB2 LEU A 138 -2.507 -1.297 10.168 1.00 0.30 H new ATOM 0 HB3 LEU A 138 -0.762 -1.318 10.015 1.00 0.30 H new ATOM 0 HG LEU A 138 -0.716 -3.357 8.991 1.00 0.59 H new ATOM 0 HD11 LEU A 138 -2.479 -5.062 9.087 1.00 1.20 H new ATOM 0 HD12 LEU A 138 -1.865 -4.639 10.703 1.00 1.20 H new ATOM 0 HD13 LEU A 138 -3.434 -4.005 10.154 1.00 1.20 H new ATOM 0 HD21 LEU A 138 -2.520 -3.397 7.299 1.00 1.20 H new ATOM 0 HD22 LEU A 138 -3.455 -2.248 8.285 1.00 1.20 H new ATOM 0 HD23 LEU A 138 -1.902 -1.751 7.572 1.00 1.20 H new ATOM 2171 N GLU A 139 -0.569 -0.366 12.653 1.00 0.30 N ATOM 2172 CA GLU A 139 0.478 0.531 13.146 1.00 0.31 C ATOM 2173 C GLU A 139 1.351 -0.100 14.244 1.00 0.30 C ATOM 2174 O GLU A 139 2.576 -0.114 14.109 1.00 0.30 O ATOM 2175 CB GLU A 139 -0.125 1.842 13.642 1.00 0.38 C ATOM 2176 CG GLU A 139 0.896 2.953 13.772 1.00 0.40 C ATOM 2177 CD GLU A 139 0.292 4.229 14.299 1.00 0.49 C ATOM 2178 OE1 GLU A 139 -0.787 4.625 13.814 1.00 0.75 O ATOM 2179 OE2 GLU A 139 0.895 4.856 15.191 1.00 0.61 O ATOM 0 H GLU A 139 -1.478 0.085 12.546 1.00 0.30 H new ATOM 0 HA GLU A 139 1.133 0.729 12.298 1.00 0.31 H new ATOM 0 HB2 GLU A 139 -0.910 2.157 12.955 1.00 0.38 H new ATOM 0 HB3 GLU A 139 -0.597 1.675 14.610 1.00 0.38 H new ATOM 0 HG2 GLU A 139 1.697 2.631 14.438 1.00 0.40 H new ATOM 0 HG3 GLU A 139 1.348 3.143 12.799 1.00 0.40 H new ATOM 2186 N PRO A 140 0.761 -0.647 15.336 1.00 0.32 N ATOM 2187 CA PRO A 140 1.547 -1.289 16.395 1.00 0.34 C ATOM 2188 C PRO A 140 2.363 -2.455 15.856 1.00 0.32 C ATOM 2189 O PRO A 140 3.544 -2.602 16.168 1.00 0.34 O ATOM 2190 CB PRO A 140 0.496 -1.798 17.386 1.00 0.40 C ATOM 2191 CG PRO A 140 -0.737 -1.019 17.092 1.00 0.56 C ATOM 2192 CD PRO A 140 -0.686 -0.696 15.629 1.00 0.36 C ATOM 0 HA PRO A 140 2.263 -0.599 16.843 1.00 0.34 H new ATOM 0 HB2 PRO A 140 0.324 -2.867 17.261 1.00 0.40 H new ATOM 0 HB3 PRO A 140 0.821 -1.645 18.415 1.00 0.40 H new ATOM 0 HG2 PRO A 140 -1.630 -1.597 17.333 1.00 0.56 H new ATOM 0 HG3 PRO A 140 -0.775 -0.109 17.691 1.00 0.56 H new ATOM 0 HD2 PRO A 140 -1.191 -1.456 15.033 1.00 0.36 H new ATOM 0 HD3 PRO A 140 -1.172 0.255 15.411 1.00 0.36 H new ATOM 2200 N TRP A 141 1.721 -3.265 15.027 1.00 0.31 N ATOM 2201 CA TRP A 141 2.362 -4.422 14.423 1.00 0.32 C ATOM 2202 C TRP A 141 3.502 -3.977 13.512 1.00 0.31 C ATOM 2203 O TRP A 141 4.579 -4.556 13.529 1.00 0.36 O ATOM 2204 CB TRP A 141 1.332 -5.233 13.643 1.00 0.35 C ATOM 2205 CG TRP A 141 1.568 -6.706 13.711 1.00 0.36 C ATOM 2206 CD1 TRP A 141 2.487 -7.417 13.007 1.00 0.43 C ATOM 2207 CD2 TRP A 141 0.867 -7.651 14.530 1.00 0.63 C ATOM 2208 NE1 TRP A 141 2.389 -8.750 13.312 1.00 0.60 N ATOM 2209 CE2 TRP A 141 1.408 -8.920 14.253 1.00 0.70 C ATOM 2210 CE3 TRP A 141 -0.166 -7.548 15.463 1.00 0.91 C ATOM 2211 CZ2 TRP A 141 0.951 -10.077 14.876 1.00 0.98 C ATOM 2212 CZ3 TRP A 141 -0.618 -8.697 16.085 1.00 1.19 C ATOM 2213 CH2 TRP A 141 -0.059 -9.947 15.789 1.00 1.20 C ATOM 0 H TRP A 141 0.746 -3.139 14.756 1.00 0.31 H new ATOM 0 HA TRP A 141 2.780 -5.052 15.208 1.00 0.32 H new ATOM 0 HB2 TRP A 141 0.337 -5.013 14.030 1.00 0.35 H new ATOM 0 HB3 TRP A 141 1.345 -4.917 12.600 1.00 0.35 H new ATOM 0 HD1 TRP A 141 3.193 -6.993 12.308 1.00 0.43 H new ATOM 0 HE1 TRP A 141 2.955 -9.494 12.904 1.00 0.60 H new ATOM 0 HE3 TRP A 141 -0.604 -6.588 15.695 1.00 0.91 H new ATOM 0 HZ2 TRP A 141 1.378 -11.042 14.647 1.00 0.98 H new ATOM 0 HZ3 TRP A 141 -1.415 -8.630 16.811 1.00 1.19 H new ATOM 0 HH2 TRP A 141 -0.433 -10.826 16.292 1.00 1.20 H new ATOM 2224 N ILE A 142 3.258 -2.935 12.732 1.00 0.26 N ATOM 2225 CA ILE A 142 4.292 -2.309 11.913 1.00 0.26 C ATOM 2226 C ILE A 142 5.548 -2.034 12.730 1.00 0.29 C ATOM 2227 O ILE A 142 6.656 -2.392 12.331 1.00 0.32 O ATOM 2228 CB ILE A 142 3.753 -0.989 11.338 1.00 0.25 C ATOM 2229 CG1 ILE A 142 2.732 -1.292 10.258 1.00 0.28 C ATOM 2230 CG2 ILE A 142 4.875 -0.118 10.797 1.00 0.28 C ATOM 2231 CD1 ILE A 142 1.805 -0.146 9.965 1.00 0.26 C ATOM 0 H ILE A 142 2.340 -2.498 12.647 1.00 0.26 H new ATOM 0 HA ILE A 142 4.554 -2.991 11.104 1.00 0.26 H new ATOM 0 HB ILE A 142 3.273 -0.428 12.140 1.00 0.25 H new ATOM 0 HG12 ILE A 142 3.255 -1.568 9.343 1.00 0.28 H new ATOM 0 HG13 ILE A 142 2.142 -2.157 10.561 1.00 0.28 H new ATOM 0 HG21 ILE A 142 4.458 0.807 10.398 1.00 0.28 H new ATOM 0 HG22 ILE A 142 5.574 0.116 11.600 1.00 0.28 H new ATOM 0 HG23 ILE A 142 5.399 -0.651 10.004 1.00 0.28 H new ATOM 0 HD11 ILE A 142 1.103 -0.436 9.183 1.00 0.26 H new ATOM 0 HD12 ILE A 142 1.254 0.116 10.868 1.00 0.26 H new ATOM 0 HD13 ILE A 142 2.385 0.715 9.631 1.00 0.26 H new ATOM 2243 N GLN A 143 5.356 -1.401 13.873 1.00 0.30 N ATOM 2244 CA GLN A 143 6.450 -1.066 14.772 1.00 0.35 C ATOM 2245 C GLN A 143 7.193 -2.320 15.242 1.00 0.39 C ATOM 2246 O GLN A 143 8.401 -2.284 15.466 1.00 0.43 O ATOM 2247 CB GLN A 143 5.906 -0.289 15.961 1.00 0.41 C ATOM 2248 CG GLN A 143 5.082 0.919 15.548 1.00 0.43 C ATOM 2249 CD GLN A 143 5.894 1.955 14.802 1.00 0.48 C ATOM 2250 OE1 GLN A 143 7.095 2.108 15.026 1.00 0.57 O ATOM 2251 NE2 GLN A 143 5.242 2.675 13.906 1.00 0.52 N ATOM 0 H GLN A 143 4.439 -1.104 14.206 1.00 0.30 H new ATOM 0 HA GLN A 143 7.167 -0.448 14.231 1.00 0.35 H new ATOM 0 HB2 GLN A 143 5.291 -0.951 16.571 1.00 0.41 H new ATOM 0 HB3 GLN A 143 6.737 0.040 16.585 1.00 0.41 H new ATOM 0 HG2 GLN A 143 4.254 0.591 14.919 1.00 0.43 H new ATOM 0 HG3 GLN A 143 4.646 1.376 16.436 1.00 0.43 H new ATOM 0 HE21 GLN A 143 4.246 2.516 13.751 1.00 0.52 H new ATOM 0 HE22 GLN A 143 5.734 3.389 13.370 1.00 0.52 H new ATOM 2260 N GLU A 144 6.469 -3.433 15.366 1.00 0.40 N ATOM 2261 CA GLU A 144 7.068 -4.716 15.738 1.00 0.47 C ATOM 2262 C GLU A 144 8.028 -5.198 14.655 1.00 0.48 C ATOM 2263 O GLU A 144 8.885 -6.048 14.886 1.00 0.55 O ATOM 2264 CB GLU A 144 5.972 -5.757 15.924 1.00 0.51 C ATOM 2265 CG GLU A 144 4.871 -5.313 16.855 1.00 0.52 C ATOM 2266 CD GLU A 144 5.240 -5.453 18.315 1.00 0.61 C ATOM 2267 OE1 GLU A 144 5.940 -4.561 18.841 1.00 0.67 O ATOM 2268 OE2 GLU A 144 4.836 -6.451 18.946 1.00 0.78 O ATOM 0 H GLU A 144 5.461 -3.472 15.213 1.00 0.40 H new ATOM 0 HA GLU A 144 7.620 -4.580 16.668 1.00 0.47 H new ATOM 0 HB2 GLU A 144 5.540 -5.996 14.952 1.00 0.51 H new ATOM 0 HB3 GLU A 144 6.415 -6.675 16.310 1.00 0.51 H new ATOM 0 HG2 GLU A 144 4.624 -4.272 16.646 1.00 0.52 H new ATOM 0 HG3 GLU A 144 3.974 -5.900 16.655 1.00 0.52 H new ATOM 2275 N ASN A 145 7.859 -4.646 13.468 1.00 0.44 N ATOM 2276 CA ASN A 145 8.624 -5.052 12.305 1.00 0.48 C ATOM 2277 C ASN A 145 9.578 -3.945 11.885 1.00 0.47 C ATOM 2278 O ASN A 145 10.253 -4.036 10.862 1.00 0.57 O ATOM 2279 CB ASN A 145 7.661 -5.405 11.171 1.00 0.49 C ATOM 2280 CG ASN A 145 6.838 -6.635 11.504 1.00 0.58 C ATOM 2281 OD1 ASN A 145 7.167 -7.750 11.097 1.00 0.93 O ATOM 2282 ND2 ASN A 145 5.786 -6.447 12.282 1.00 0.54 N ATOM 0 H ASN A 145 7.186 -3.902 13.283 1.00 0.44 H new ATOM 0 HA ASN A 145 9.223 -5.930 12.549 1.00 0.48 H new ATOM 0 HB2 ASN A 145 6.997 -4.562 10.981 1.00 0.49 H new ATOM 0 HB3 ASN A 145 8.225 -5.580 10.255 1.00 0.49 H new ATOM 0 HD21 ASN A 145 5.213 -7.242 12.566 1.00 0.54 H new ATOM 0 HD22 ASN A 145 5.547 -5.507 12.598 1.00 0.54 H new ATOM 2289 N GLY A 146 9.621 -2.893 12.685 1.00 0.42 N ATOM 2290 CA GLY A 146 10.565 -1.823 12.458 1.00 0.45 C ATOM 2291 C GLY A 146 9.898 -0.497 12.157 1.00 0.44 C ATOM 2292 O GLY A 146 10.316 0.544 12.659 1.00 0.56 O ATOM 0 H GLY A 146 9.014 -2.761 13.494 1.00 0.42 H new ATOM 0 HA2 GLY A 146 11.199 -1.713 13.338 1.00 0.45 H new ATOM 0 HA3 GLY A 146 11.217 -2.092 11.627 1.00 0.45 H new ATOM 2296 N GLY A 147 8.860 -0.526 11.339 1.00 0.36 N ATOM 2297 CA GLY A 147 8.165 0.694 10.997 1.00 0.36 C ATOM 2298 C GLY A 147 7.919 0.818 9.510 1.00 0.38 C ATOM 2299 O GLY A 147 8.239 -0.094 8.745 1.00 0.49 O ATOM 0 H GLY A 147 8.487 -1.371 10.906 1.00 0.36 H new ATOM 0 HA2 GLY A 147 7.212 0.726 11.524 1.00 0.36 H new ATOM 0 HA3 GLY A 147 8.748 1.549 11.339 1.00 0.36 H new ATOM 2303 N TRP A 148 7.355 1.946 9.101 1.00 0.35 N ATOM 2304 CA TRP A 148 7.021 2.175 7.705 1.00 0.37 C ATOM 2305 C TRP A 148 8.280 2.428 6.891 1.00 0.38 C ATOM 2306 O TRP A 148 8.468 1.855 5.818 1.00 0.40 O ATOM 2307 CB TRP A 148 6.095 3.380 7.570 1.00 0.39 C ATOM 2308 CG TRP A 148 4.849 3.292 8.383 1.00 0.46 C ATOM 2309 CD1 TRP A 148 3.714 2.614 8.063 1.00 0.79 C ATOM 2310 CD2 TRP A 148 4.605 3.925 9.640 1.00 1.45 C ATOM 2311 NE1 TRP A 148 2.777 2.782 9.047 1.00 0.52 N ATOM 2312 CE2 TRP A 148 3.302 3.581 10.031 1.00 1.25 C ATOM 2313 CE3 TRP A 148 5.366 4.748 10.476 1.00 2.64 C ATOM 2314 CZ2 TRP A 148 2.742 4.030 11.220 1.00 2.17 C ATOM 2315 CZ3 TRP A 148 4.808 5.193 11.657 1.00 3.57 C ATOM 2316 CH2 TRP A 148 3.507 4.834 12.020 1.00 3.32 C ATOM 0 H TRP A 148 7.119 2.720 9.722 1.00 0.35 H new ATOM 0 HA TRP A 148 6.518 1.284 7.330 1.00 0.37 H new ATOM 0 HB2 TRP A 148 6.641 4.277 7.860 1.00 0.39 H new ATOM 0 HB3 TRP A 148 5.823 3.498 6.521 1.00 0.39 H new ATOM 0 HD1 TRP A 148 3.573 2.030 7.166 1.00 0.79 H new ATOM 0 HE1 TRP A 148 1.840 2.378 9.048 1.00 0.52 H new ATOM 0 HE3 TRP A 148 6.372 5.030 10.202 1.00 2.64 H new ATOM 0 HZ2 TRP A 148 1.737 3.754 11.503 1.00 2.17 H new ATOM 0 HZ3 TRP A 148 5.386 5.829 12.311 1.00 3.57 H new ATOM 0 HH2 TRP A 148 3.097 5.198 12.950 1.00 3.32 H new ATOM 2327 N ASP A 149 9.136 3.299 7.412 1.00 0.42 N ATOM 2328 CA ASP A 149 10.369 3.672 6.727 1.00 0.47 C ATOM 2329 C ASP A 149 11.242 2.452 6.503 1.00 0.47 C ATOM 2330 O ASP A 149 11.822 2.283 5.430 1.00 0.52 O ATOM 2331 CB ASP A 149 11.132 4.722 7.533 1.00 0.56 C ATOM 2332 CG ASP A 149 12.472 5.072 6.917 1.00 1.23 C ATOM 2333 OD1 ASP A 149 12.499 5.866 5.954 1.00 1.72 O ATOM 2334 OD2 ASP A 149 13.502 4.536 7.378 1.00 1.96 O ATOM 0 H ASP A 149 8.998 3.762 8.310 1.00 0.42 H new ATOM 0 HA ASP A 149 10.107 4.097 5.758 1.00 0.47 H new ATOM 0 HB2 ASP A 149 10.526 5.625 7.612 1.00 0.56 H new ATOM 0 HB3 ASP A 149 11.288 4.353 8.547 1.00 0.56 H new ATOM 2339 N THR A 150 11.311 1.595 7.513 1.00 0.47 N ATOM 2340 CA THR A 150 12.082 0.368 7.426 1.00 0.51 C ATOM 2341 C THR A 150 11.643 -0.483 6.236 1.00 0.50 C ATOM 2342 O THR A 150 12.469 -1.117 5.587 1.00 0.56 O ATOM 2343 CB THR A 150 11.970 -0.457 8.720 1.00 0.56 C ATOM 2344 OG1 THR A 150 12.435 0.319 9.833 1.00 0.62 O ATOM 2345 CG2 THR A 150 12.782 -1.735 8.607 1.00 0.67 C ATOM 0 H THR A 150 10.838 1.731 8.406 1.00 0.47 H new ATOM 0 HA THR A 150 13.123 0.658 7.284 1.00 0.51 H new ATOM 0 HB THR A 150 10.924 -0.721 8.876 1.00 0.56 H new ATOM 0 HG1 THR A 150 12.360 -0.210 10.655 1.00 0.62 H new ATOM 0 HG21 THR A 150 12.692 -2.306 9.531 1.00 0.67 H new ATOM 0 HG22 THR A 150 12.409 -2.331 7.774 1.00 0.67 H new ATOM 0 HG23 THR A 150 13.829 -1.487 8.435 1.00 0.67 H new ATOM 2353 N PHE A 151 10.352 -0.471 5.925 1.00 0.45 N ATOM 2354 CA PHE A 151 9.850 -1.231 4.789 1.00 0.47 C ATOM 2355 C PHE A 151 10.495 -0.742 3.505 1.00 0.48 C ATOM 2356 O PHE A 151 10.933 -1.537 2.682 1.00 0.55 O ATOM 2357 CB PHE A 151 8.327 -1.130 4.668 1.00 0.47 C ATOM 2358 CG PHE A 151 7.804 -1.695 3.372 1.00 1.18 C ATOM 2359 CD1 PHE A 151 7.589 -3.056 3.228 1.00 1.80 C ATOM 2360 CD2 PHE A 151 7.508 -0.862 2.309 1.00 1.75 C ATOM 2361 CE1 PHE A 151 7.094 -3.572 2.046 1.00 2.65 C ATOM 2362 CE2 PHE A 151 7.013 -1.372 1.125 1.00 2.61 C ATOM 2363 CZ PHE A 151 6.876 -2.742 0.972 1.00 3.00 C ATOM 0 H PHE A 151 9.641 0.051 6.438 1.00 0.45 H new ATOM 0 HA PHE A 151 10.109 -2.277 4.955 1.00 0.47 H new ATOM 0 HB2 PHE A 151 7.865 -1.659 5.502 1.00 0.47 H new ATOM 0 HB3 PHE A 151 8.029 -0.085 4.749 1.00 0.47 H new ATOM 0 HD1 PHE A 151 7.811 -3.721 4.049 1.00 1.80 H new ATOM 0 HD2 PHE A 151 7.666 0.202 2.406 1.00 1.75 H new ATOM 0 HE1 PHE A 151 6.878 -4.627 1.966 1.00 2.65 H new ATOM 0 HE2 PHE A 151 6.734 -0.706 0.322 1.00 2.61 H new ATOM 0 HZ PHE A 151 6.599 -3.156 0.014 1.00 3.00 H new ATOM 2373 N VAL A 152 10.563 0.570 3.343 1.00 0.45 N ATOM 2374 CA VAL A 152 11.166 1.155 2.157 1.00 0.49 C ATOM 2375 C VAL A 152 12.684 0.938 2.183 1.00 0.57 C ATOM 2376 O VAL A 152 13.350 0.941 1.151 1.00 0.64 O ATOM 2377 CB VAL A 152 10.805 2.657 1.970 1.00 0.60 C ATOM 2378 CG1 VAL A 152 9.623 3.053 2.846 1.00 1.15 C ATOM 2379 CG2 VAL A 152 12.001 3.560 2.211 1.00 0.91 C ATOM 0 H VAL A 152 10.209 1.249 4.017 1.00 0.45 H new ATOM 0 HA VAL A 152 10.749 0.643 1.290 1.00 0.49 H new ATOM 0 HB VAL A 152 10.508 2.792 0.930 1.00 0.60 H new ATOM 0 HG11 VAL A 152 9.394 4.108 2.694 1.00 1.15 H new ATOM 0 HG12 VAL A 152 8.754 2.451 2.579 1.00 1.15 H new ATOM 0 HG13 VAL A 152 9.873 2.884 3.893 1.00 1.15 H new ATOM 0 HG21 VAL A 152 11.706 4.600 2.070 1.00 0.91 H new ATOM 0 HG22 VAL A 152 12.363 3.420 3.230 1.00 0.91 H new ATOM 0 HG23 VAL A 152 12.794 3.309 1.506 1.00 0.91 H new ATOM 2389 N GLU A 153 13.231 0.766 3.376 1.00 0.59 N ATOM 2390 CA GLU A 153 14.634 0.409 3.517 1.00 0.69 C ATOM 2391 C GLU A 153 14.884 -0.998 2.970 1.00 0.70 C ATOM 2392 O GLU A 153 16.006 -1.344 2.602 1.00 0.80 O ATOM 2393 CB GLU A 153 15.062 0.508 4.979 1.00 0.76 C ATOM 2394 CG GLU A 153 14.990 1.926 5.512 1.00 0.80 C ATOM 2395 CD GLU A 153 16.037 2.834 4.901 1.00 1.31 C ATOM 2396 OE1 GLU A 153 17.155 2.909 5.456 1.00 1.58 O ATOM 2397 OE2 GLU A 153 15.746 3.482 3.872 1.00 1.67 O ATOM 0 H GLU A 153 12.728 0.867 4.257 1.00 0.59 H new ATOM 0 HA GLU A 153 15.234 1.111 2.937 1.00 0.69 H new ATOM 0 HB2 GLU A 153 14.425 -0.137 5.585 1.00 0.76 H new ATOM 0 HB3 GLU A 153 16.082 0.136 5.081 1.00 0.76 H new ATOM 0 HG2 GLU A 153 13.999 2.335 5.313 1.00 0.80 H new ATOM 0 HG3 GLU A 153 15.116 1.910 6.595 1.00 0.80 H new ATOM 2404 N LEU A 154 13.827 -1.805 2.922 1.00 0.67 N ATOM 2405 CA LEU A 154 13.913 -3.160 2.386 1.00 0.72 C ATOM 2406 C LEU A 154 13.436 -3.203 0.936 1.00 0.74 C ATOM 2407 O LEU A 154 14.151 -3.652 0.041 1.00 0.83 O ATOM 2408 CB LEU A 154 13.046 -4.132 3.200 1.00 0.72 C ATOM 2409 CG LEU A 154 12.961 -3.872 4.704 1.00 0.83 C ATOM 2410 CD1 LEU A 154 12.177 -4.977 5.394 1.00 1.30 C ATOM 2411 CD2 LEU A 154 14.342 -3.736 5.314 1.00 1.14 C ATOM 0 H LEU A 154 12.897 -1.542 3.249 1.00 0.67 H new ATOM 0 HA LEU A 154 14.960 -3.459 2.445 1.00 0.72 H new ATOM 0 HB2 LEU A 154 12.035 -4.112 2.792 1.00 0.72 H new ATOM 0 HB3 LEU A 154 13.430 -5.141 3.049 1.00 0.72 H new ATOM 0 HG LEU A 154 12.434 -2.929 4.853 1.00 0.83 H new ATOM 0 HD11 LEU A 154 12.127 -4.774 6.464 1.00 1.30 H new ATOM 0 HD12 LEU A 154 11.167 -5.017 4.985 1.00 1.30 H new ATOM 0 HD13 LEU A 154 12.673 -5.933 5.229 1.00 1.30 H new ATOM 0 HD21 LEU A 154 14.250 -3.552 6.384 1.00 1.14 H new ATOM 0 HD22 LEU A 154 14.904 -4.656 5.151 1.00 1.14 H new ATOM 0 HD23 LEU A 154 14.866 -2.903 4.846 1.00 1.14 H new ATOM 2423 N TYR A 155 12.211 -2.739 0.725 1.00 0.69 N ATOM 2424 CA TYR A 155 11.523 -2.883 -0.549 1.00 0.78 C ATOM 2425 C TYR A 155 11.141 -1.515 -1.105 1.00 0.77 C ATOM 2426 O TYR A 155 10.162 -1.383 -1.840 1.00 1.15 O ATOM 2427 CB TYR A 155 10.269 -3.728 -0.333 1.00 0.86 C ATOM 2428 CG TYR A 155 10.006 -4.747 -1.417 1.00 1.40 C ATOM 2429 CD1 TYR A 155 10.878 -5.806 -1.621 1.00 1.83 C ATOM 2430 CD2 TYR A 155 8.879 -4.660 -2.223 1.00 2.24 C ATOM 2431 CE1 TYR A 155 10.637 -6.750 -2.596 1.00 2.65 C ATOM 2432 CE2 TYR A 155 8.628 -5.603 -3.199 1.00 3.16 C ATOM 2433 CZ TYR A 155 9.511 -6.646 -3.380 1.00 3.24 C ATOM 2434 OH TYR A 155 9.263 -7.591 -4.346 1.00 4.24 O ATOM 0 H TYR A 155 11.666 -2.251 1.436 1.00 0.69 H new ATOM 0 HA TYR A 155 12.182 -3.370 -1.267 1.00 0.78 H new ATOM 0 HB2 TYR A 155 10.355 -4.246 0.622 1.00 0.86 H new ATOM 0 HB3 TYR A 155 9.407 -3.064 -0.259 1.00 0.86 H new ATOM 0 HD1 TYR A 155 11.761 -5.892 -1.005 1.00 1.83 H new ATOM 0 HD2 TYR A 155 8.188 -3.842 -2.084 1.00 2.24 H new ATOM 0 HE1 TYR A 155 11.328 -7.567 -2.744 1.00 2.65 H new ATOM 0 HE2 TYR A 155 7.746 -5.524 -3.817 1.00 3.16 H new ATOM 0 HH TYR A 155 8.913 -7.153 -5.150 1.00 4.24 H new ATOM 2444 N GLY A 156 11.916 -0.503 -0.731 1.00 0.66 N ATOM 2445 CA GLY A 156 11.645 0.858 -1.150 1.00 0.64 C ATOM 2446 C GLY A 156 11.613 1.050 -2.640 1.00 0.78 C ATOM 2447 O GLY A 156 12.039 0.191 -3.416 1.00 1.10 O ATOM 0 H GLY A 156 12.738 -0.605 -0.136 1.00 0.66 H new ATOM 0 HA2 GLY A 156 10.687 1.170 -0.734 1.00 0.64 H new ATOM 0 HA3 GLY A 156 12.405 1.515 -0.727 1.00 0.64 H new ATOM 2451 N ASN A 157 11.108 2.202 -3.012 1.00 0.70 N ATOM 2452 CA ASN A 157 10.927 2.592 -4.389 1.00 0.80 C ATOM 2453 C ASN A 157 12.230 2.479 -5.170 1.00 1.14 C ATOM 2454 O ASN A 157 13.265 2.992 -4.738 1.00 1.29 O ATOM 2455 CB ASN A 157 10.413 4.018 -4.384 1.00 0.70 C ATOM 2456 CG ASN A 157 10.169 4.576 -5.761 1.00 0.77 C ATOM 2457 OD1 ASN A 157 8.983 4.343 -6.290 1.00 0.88 O flip ATOM 2458 ND2 ASN A 157 11.042 5.207 -6.345 1.00 0.76 N flip ATOM 0 H ASN A 157 10.804 2.913 -2.347 1.00 0.70 H new ATOM 0 HA ASN A 157 10.215 1.931 -4.883 1.00 0.80 H new ATOM 0 HB2 ASN A 157 9.484 4.059 -3.815 1.00 0.70 H new ATOM 0 HB3 ASN A 157 11.132 4.653 -3.866 1.00 0.70 H new ATOM 0 HD21 ASN A 157 11.945 5.363 -5.897 1.00 0.76 H new ATOM 0 HD22 ASN A 157 10.866 5.576 -7.279 1.00 0.76 H new ATOM 2969 N GLY B1005 -11.290 -13.153 1.913 1.00 1.02 N ATOM 2970 CA GLY B1005 -10.919 -13.893 3.119 1.00 1.07 C ATOM 2971 C GLY B1005 -9.810 -14.933 2.897 1.00 1.05 C ATOM 2972 O GLY B1005 -9.007 -15.186 3.792 1.00 1.20 O ATOM 0 HA2 GLY B1005 -10.592 -13.185 3.881 1.00 1.07 H new ATOM 0 HA3 GLY B1005 -11.803 -14.397 3.510 1.00 1.07 H new ATOM 2976 N ARG B1006 -9.781 -15.549 1.709 1.00 1.08 N ATOM 2977 CA ARG B1006 -8.738 -16.518 1.358 1.00 1.08 C ATOM 2978 C ARG B1006 -7.739 -15.966 0.341 1.00 1.04 C ATOM 2979 O ARG B1006 -6.547 -16.264 0.407 1.00 1.10 O ATOM 2980 CB ARG B1006 -9.353 -17.777 0.749 1.00 1.14 C ATOM 2981 CG ARG B1006 -10.296 -18.520 1.664 1.00 1.24 C ATOM 2982 CD ARG B1006 -9.613 -18.925 2.960 1.00 1.55 C ATOM 2983 NE ARG B1006 -10.559 -19.444 3.941 1.00 1.88 N ATOM 2984 CZ ARG B1006 -10.230 -20.281 4.923 1.00 2.43 C ATOM 2985 NH1 ARG B1006 -8.988 -20.745 5.020 1.00 2.88 N ATOM 2986 NH2 ARG B1006 -11.146 -20.661 5.801 1.00 2.87 N ATOM 0 H ARG B1006 -10.470 -15.392 0.974 1.00 1.08 H new ATOM 0 HA ARG B1006 -8.218 -16.742 2.289 1.00 1.08 H new ATOM 0 HB2 ARG B1006 -9.890 -17.501 -0.159 1.00 1.14 H new ATOM 0 HB3 ARG B1006 -8.550 -18.451 0.452 1.00 1.14 H new ATOM 0 HG2 ARG B1006 -11.158 -17.892 1.887 1.00 1.24 H new ATOM 0 HG3 ARG B1006 -10.672 -19.409 1.157 1.00 1.24 H new ATOM 0 HD2 ARG B1006 -8.858 -19.682 2.750 1.00 1.55 H new ATOM 0 HD3 ARG B1006 -9.093 -18.064 3.379 1.00 1.55 H new ATOM 0 HE ARG B1006 -11.532 -19.148 3.871 1.00 1.88 H new ATOM 0 HH11 ARG B1006 -8.283 -20.460 4.341 1.00 2.88 H new ATOM 0 HH12 ARG B1006 -8.740 -21.386 5.774 1.00 2.88 H new ATOM 0 HH21 ARG B1006 -12.102 -20.313 5.724 1.00 2.87 H new ATOM 0 HH22 ARG B1006 -10.896 -21.302 6.554 1.00 2.87 H new ATOM 3000 N ALA B1007 -8.230 -15.175 -0.606 1.00 1.02 N ATOM 3001 CA ALA B1007 -7.454 -14.836 -1.798 1.00 1.05 C ATOM 3002 C ALA B1007 -6.299 -13.888 -1.503 1.00 1.02 C ATOM 3003 O ALA B1007 -5.141 -14.242 -1.717 1.00 1.31 O ATOM 3004 CB ALA B1007 -8.358 -14.251 -2.865 1.00 1.10 C ATOM 0 H ALA B1007 -9.159 -14.756 -0.574 1.00 1.02 H new ATOM 0 HA ALA B1007 -7.013 -15.764 -2.163 1.00 1.05 H new ATOM 0 HB1 ALA B1007 -7.767 -14.003 -3.747 1.00 1.10 H new ATOM 0 HB2 ALA B1007 -9.123 -14.980 -3.134 1.00 1.10 H new ATOM 0 HB3 ALA B1007 -8.835 -13.349 -2.483 1.00 1.10 H new ATOM 3010 N LEU B1008 -6.612 -12.693 -1.017 1.00 0.84 N ATOM 3011 CA LEU B1008 -5.583 -11.691 -0.751 1.00 0.83 C ATOM 3012 C LEU B1008 -4.627 -12.226 0.303 1.00 0.78 C ATOM 3013 O LEU B1008 -3.411 -12.063 0.201 1.00 0.79 O ATOM 3014 CB LEU B1008 -6.204 -10.362 -0.291 1.00 0.90 C ATOM 3015 CG LEU B1008 -7.199 -9.704 -1.264 1.00 0.88 C ATOM 3016 CD1 LEU B1008 -6.681 -9.758 -2.687 1.00 1.13 C ATOM 3017 CD2 LEU B1008 -8.569 -10.355 -1.179 1.00 1.33 C ATOM 0 H LEU B1008 -7.563 -12.394 -0.800 1.00 0.84 H new ATOM 0 HA LEU B1008 -5.037 -11.494 -1.674 1.00 0.83 H new ATOM 0 HB2 LEU B1008 -6.714 -10.532 0.657 1.00 0.90 H new ATOM 0 HB3 LEU B1008 -5.397 -9.656 -0.097 1.00 0.90 H new ATOM 0 HG LEU B1008 -7.300 -8.659 -0.970 1.00 0.88 H new ATOM 0 HD11 LEU B1008 -7.402 -9.287 -3.355 1.00 1.13 H new ATOM 0 HD12 LEU B1008 -5.730 -9.229 -2.748 1.00 1.13 H new ATOM 0 HD13 LEU B1008 -6.538 -10.797 -2.983 1.00 1.13 H new ATOM 0 HD21 LEU B1008 -9.248 -9.867 -1.878 1.00 1.33 H new ATOM 0 HD22 LEU B1008 -8.486 -11.412 -1.432 1.00 1.33 H new ATOM 0 HD23 LEU B1008 -8.958 -10.254 -0.166 1.00 1.33 H new ATOM 3029 N ALA B1009 -5.219 -12.861 1.306 1.00 0.78 N ATOM 3030 CA ALA B1009 -4.507 -13.640 2.309 1.00 0.78 C ATOM 3031 C ALA B1009 -3.347 -14.422 1.696 1.00 0.80 C ATOM 3032 O ALA B1009 -2.188 -14.281 2.088 1.00 0.76 O ATOM 3033 CB ALA B1009 -5.467 -14.623 2.957 1.00 0.88 C ATOM 0 H ALA B1009 -6.229 -12.848 1.447 1.00 0.78 H new ATOM 0 HA ALA B1009 -4.105 -12.946 3.047 1.00 0.78 H new ATOM 0 HB1 ALA B1009 -4.937 -15.208 3.709 1.00 0.88 H new ATOM 0 HB2 ALA B1009 -6.282 -14.077 3.431 1.00 0.88 H new ATOM 0 HB3 ALA B1009 -5.872 -15.291 2.197 1.00 0.88 H new ATOM 3039 N ALA B1010 -3.694 -15.241 0.711 1.00 0.89 N ATOM 3040 CA ALA B1010 -2.759 -16.163 0.086 1.00 0.94 C ATOM 3041 C ALA B1010 -1.771 -15.445 -0.822 1.00 0.92 C ATOM 3042 O ALA B1010 -0.577 -15.748 -0.821 1.00 0.92 O ATOM 3043 CB ALA B1010 -3.528 -17.206 -0.705 1.00 1.03 C ATOM 0 H ALA B1010 -4.636 -15.283 0.323 1.00 0.89 H new ATOM 0 HA ALA B1010 -2.184 -16.644 0.877 1.00 0.94 H new ATOM 0 HB1 ALA B1010 -2.827 -17.897 -1.173 1.00 1.03 H new ATOM 0 HB2 ALA B1010 -4.188 -17.757 -0.035 1.00 1.03 H new ATOM 0 HB3 ALA B1010 -4.122 -16.714 -1.475 1.00 1.03 H new ATOM 3049 N PHE B1011 -2.276 -14.494 -1.596 1.00 0.93 N ATOM 3050 CA PHE B1011 -1.455 -13.771 -2.557 1.00 0.93 C ATOM 3051 C PHE B1011 -0.478 -12.826 -1.859 1.00 0.85 C ATOM 3052 O PHE B1011 0.542 -12.439 -2.432 1.00 0.89 O ATOM 3053 CB PHE B1011 -2.342 -13.000 -3.543 1.00 0.97 C ATOM 3054 CG PHE B1011 -2.863 -13.843 -4.679 1.00 1.12 C ATOM 3055 CD1 PHE B1011 -2.031 -14.168 -5.735 1.00 1.50 C ATOM 3056 CD2 PHE B1011 -4.174 -14.309 -4.699 1.00 1.18 C ATOM 3057 CE1 PHE B1011 -2.487 -14.938 -6.786 1.00 1.67 C ATOM 3058 CE2 PHE B1011 -4.633 -15.074 -5.748 1.00 1.32 C ATOM 3059 CZ PHE B1011 -3.790 -15.392 -6.793 1.00 1.46 C ATOM 0 H PHE B1011 -3.254 -14.205 -1.577 1.00 0.93 H new ATOM 0 HA PHE B1011 -0.867 -14.502 -3.112 1.00 0.93 H new ATOM 0 HB2 PHE B1011 -3.187 -12.574 -3.001 1.00 0.97 H new ATOM 0 HB3 PHE B1011 -1.773 -12.165 -3.953 1.00 0.97 H new ATOM 0 HD1 PHE B1011 -1.011 -13.814 -5.737 1.00 1.50 H new ATOM 0 HD2 PHE B1011 -4.839 -14.068 -3.883 1.00 1.18 H new ATOM 0 HE1 PHE B1011 -1.824 -15.185 -7.602 1.00 1.67 H new ATOM 0 HE2 PHE B1011 -5.654 -15.426 -5.753 1.00 1.32 H new ATOM 0 HZ PHE B1011 -4.149 -15.995 -7.614 1.00 1.46 H new ATOM 3069 N GLY B1012 -0.780 -12.474 -0.616 1.00 0.78 N ATOM 3070 CA GLY B1012 0.082 -11.582 0.134 1.00 0.72 C ATOM 3071 C GLY B1012 1.338 -12.259 0.634 1.00 0.73 C ATOM 3072 O GLY B1012 2.350 -11.600 0.882 1.00 0.78 O ATOM 0 H GLY B1012 -1.609 -12.791 -0.113 1.00 0.78 H new ATOM 0 HA2 GLY B1012 0.358 -10.736 -0.496 1.00 0.72 H new ATOM 0 HA3 GLY B1012 -0.471 -11.180 0.983 1.00 0.72 H new ATOM 3076 N ASP B1013 1.276 -13.575 0.764 1.00 0.78 N ATOM 3077 CA ASP B1013 2.419 -14.368 1.213 1.00 0.86 C ATOM 3078 C ASP B1013 3.596 -14.239 0.240 1.00 0.93 C ATOM 3079 O ASP B1013 4.747 -14.482 0.602 1.00 1.06 O ATOM 3080 CB ASP B1013 2.002 -15.838 1.349 1.00 0.98 C ATOM 3081 CG ASP B1013 3.127 -16.743 1.814 1.00 1.18 C ATOM 3082 OD1 ASP B1013 3.424 -16.753 3.025 1.00 1.90 O ATOM 3083 OD2 ASP B1013 3.739 -17.424 0.963 1.00 1.48 O ATOM 0 H ASP B1013 0.440 -14.124 0.564 1.00 0.78 H new ATOM 0 HA ASP B1013 2.744 -13.991 2.183 1.00 0.86 H new ATOM 0 HB2 ASP B1013 1.174 -15.909 2.054 1.00 0.98 H new ATOM 0 HB3 ASP B1013 1.633 -16.194 0.387 1.00 0.98 H new ATOM 3088 N CYS B1014 3.305 -13.813 -0.983 1.00 0.93 N ATOM 3089 CA CYS B1014 4.311 -13.771 -2.037 1.00 1.06 C ATOM 3090 C CYS B1014 5.084 -12.458 -2.009 1.00 1.08 C ATOM 3091 O CYS B1014 6.137 -12.336 -2.635 1.00 1.44 O ATOM 3092 CB CYS B1014 3.643 -13.947 -3.398 1.00 1.12 C ATOM 3093 SG CYS B1014 2.461 -15.330 -3.461 1.00 1.34 S ATOM 0 H CYS B1014 2.380 -13.492 -1.269 1.00 0.93 H new ATOM 0 HA CYS B1014 5.015 -14.585 -1.866 1.00 1.06 H new ATOM 0 HB2 CYS B1014 3.124 -13.025 -3.660 1.00 1.12 H new ATOM 0 HB3 CYS B1014 4.413 -14.104 -4.153 1.00 1.12 H new ATOM 0 HG CYS B1014 1.942 -15.403 -4.650 1.00 1.34 H new