USER MOD reduce.3.24.130724 H: found=0, std=0, add=1112, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 1112 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 74 SER OG : rot 100:sc= -0.103 USER MOD Set 1.2: A 76 MET CE :methyl -130:sc= -0.466 (180deg=-1.98) USER MOD Set 1.3: A 148 SER OG : rot 160:sc=-0.00496 USER MOD Set 2.1: A 31 ASN : amide:sc= -0.117 K(o=-0.24,f=-2.1) USER MOD Set 2.2: A 32 ASN : amide:sc= -0.124 K(o=-0.24,f=-3.2) USER MOD Single : A 3 THR OG1 : rot 180:sc= -1.14 USER MOD Single : A 10 MET CE :methyl -163:sc= -0.156 (180deg=-0.736) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 GLN :FLIP amide:sc= -0.558 F(o=-2.3!,f=-0.56) USER MOD Single : A 25 SER OG : rot 180:sc= 0 USER MOD Single : A 29 SER OG : rot 180:sc= 0 USER MOD Single : A 34 MET CE :methyl 151:sc= -0.196 (180deg=-0.768) USER MOD Single : A 35 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 37 ASN : amide:sc= 0 X(o=0,f=-0.092) USER MOD Single : A 46 THR OG1 : rot 180:sc= 0 USER MOD Single : A 52 THR OG1 : rot 180:sc= 0 USER MOD Single : A 54 LYS NZ :NH3+ 165:sc= -0.0641 (180deg=-0.381) USER MOD Single : A 60 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 65 ASN :FLIP amide:sc= -0.442 F(o=-2.8,f=-0.44) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -163:sc= -0.0845 (180deg=-0.409) USER MOD Single : A 78 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 80 ASN : amide:sc= -0.599 X(o=-0.6,f=-0.33) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 SER OG : rot 180:sc= -0.299 USER MOD Single : A 88 CYS SG : rot -33:sc= -0.837 USER MOD Single : A 93 GLN : amide:sc= -0.0328 K(o=-0.033,f=-0.71) USER MOD Single : A 94 ASN : amide:sc= -0.329 X(o=-0.33,f=-0.77) USER MOD Single : A 97 SER OG : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 103 SER OG : rot 93:sc= 0.473 USER MOD Single : A 104 SER OG : rot 158:sc= 0.708 USER MOD Single : A 107 THR OG1 : rot -16:sc= 0.879 USER MOD Single : A 108 SER OG : rot 67:sc= 1.21 USER MOD Single : A 110 GLN : amide:sc= -0.909 K(o=-0.91,f=-2.7!) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 123 ASN : amide:sc= -0.155 K(o=-0.16,f=-11!) USER MOD Single : A 124 SER OG : rot 180:sc= 0 USER MOD Single : A 125 GLN : amide:sc= -1.18 X(o=-1.2,f=-0.95) USER MOD Single : A 128 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 131 GLN :FLIP amide:sc= -0.528 F(o=-1.1,f=-0.53) USER MOD Single : A 133 ASN : amide:sc= -0.107 K(o=-0.11,f=-3.6!) USER MOD Single : A 134 LYS NZ :NH3+ -167:sc= -0.0223 (180deg=-0.225) USER MOD Single : A 137 TYR OH : rot 180:sc= 0 USER MOD Single : A 139 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 142 SER OG : rot 180:sc= 0 USER MOD Single : A 147 GLN : amide:sc= -0.883 K(o=-0.88,f=-5.3!) USER MOD ----------------------------------------------------------------- ATOM 31 N THR A 3 -25.037 4.230 6.426 0.35 0.00 N ATOM 32 CA THR A 3 -24.257 5.309 5.837 0.19 0.00 C ATOM 33 C THR A 3 -23.966 5.001 4.366 1.00 0.00 C ATOM 34 O THR A 3 -24.134 3.863 3.925 1.00 0.00 O ATOM 35 CB THR A 3 -22.939 5.523 6.623 1.00 0.00 C ATOM 36 OG1 THR A 3 -22.651 6.922 6.737 0.92 0.00 O ATOM 37 CG2 THR A 3 -21.767 4.817 5.960 0.08 0.00 C ATOM 0 HA THR A 3 -24.836 6.231 5.893 0.19 0.00 H new ATOM 0 HB THR A 3 -23.078 5.094 7.615 1.00 0.00 H new ATOM 0 HG1 THR A 3 -21.817 7.045 7.237 0.92 0.00 H new ATOM 0 HG21 THR A 3 -20.861 4.991 6.541 0.08 0.00 H new ATOM 0 HG22 THR A 3 -21.967 3.747 5.912 0.08 0.00 H new ATOM 0 HG23 THR A 3 -21.631 5.206 4.951 0.08 0.00 H new ATOM 45 N PRO A 4 -23.524 6.002 3.586 0.10 0.00 N ATOM 46 CA PRO A 4 -23.231 5.819 2.172 1.00 0.00 C ATOM 47 C PRO A 4 -21.858 5.201 1.947 0.22 0.00 C ATOM 48 O PRO A 4 -21.666 4.417 1.018 0.11 0.00 O ATOM 49 CB PRO A 4 -23.285 7.236 1.594 1.00 0.00 C ATOM 50 CG PRO A 4 -23.330 8.182 2.757 0.16 0.00 C ATOM 51 CD PRO A 4 -23.253 7.373 4.021 0.82 0.00 C ATOM 0 HA PRO A 4 -23.936 5.135 1.699 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -22.412 7.432 0.971 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -24.163 7.361 0.961 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -22.501 8.888 2.706 0.16 0.00 H new ATOM 0 HG3 PRO A 4 -24.249 8.768 2.736 0.16 0.00 H new ATOM 0 HD2 PRO A 4 -22.272 7.456 4.488 0.82 0.00 H new ATOM 0 HD3 PRO A 4 -23.985 7.710 4.755 0.82 0.00 H new ATOM 59 N ALA A 5 -20.910 5.557 2.806 0.32 0.00 N ATOM 60 CA ALA A 5 -19.555 5.036 2.703 0.14 0.00 C ATOM 61 C ALA A 5 -19.541 3.516 2.838 0.18 0.00 C ATOM 62 O ALA A 5 -18.732 2.833 2.210 0.77 0.00 O ATOM 63 CB ALA A 5 -18.666 5.667 3.763 0.12 0.00 C ATOM 0 H ALA A 5 -21.056 6.204 3.581 0.32 0.00 H new ATOM 0 HA ALA A 5 -19.167 5.293 1.717 0.14 0.00 H new ATOM 0 HB1 ALA A 5 -17.655 5.268 3.675 0.12 0.00 H new ATOM 0 HB2 ALA A 5 -18.643 6.748 3.623 0.12 0.00 H new ATOM 0 HB3 ALA A 5 -19.061 5.438 4.753 0.12 0.00 H new ATOM 69 N ARG A 6 -20.447 2.997 3.661 0.17 0.00 N ATOM 70 CA ARG A 6 -20.544 1.560 3.894 0.09 0.00 C ATOM 71 C ARG A 6 -20.939 0.821 2.619 0.61 0.00 C ATOM 72 O ARG A 6 -20.271 -0.128 2.206 0.09 0.00 O ATOM 73 CB ARG A 6 -21.569 1.272 4.996 0.73 0.00 C ATOM 74 CG ARG A 6 -21.587 -0.180 5.445 0.36 0.00 C ATOM 75 CD ARG A 6 -20.353 -0.529 6.260 0.99 0.00 C ATOM 76 NE ARG A 6 -20.291 0.223 7.510 0.56 0.00 N ATOM 77 CZ ARG A 6 -19.207 0.292 8.280 0.13 0.00 C ATOM 78 NH1 ARG A 6 -18.094 -0.335 7.922 0.10 0.00 N ATOM 79 NH2 ARG A 6 -19.236 0.991 9.405 1.00 0.00 N ATOM 0 H ARG A 6 -21.127 3.553 4.180 0.17 0.00 H new ATOM 0 HA ARG A 6 -19.563 1.204 4.209 0.09 0.00 H new ATOM 0 HB2 ARG A 6 -21.354 1.907 5.856 0.73 0.00 H new ATOM 0 HB3 ARG A 6 -22.562 1.545 4.638 0.73 0.00 H new ATOM 0 HG2 ARG A 6 -22.481 -0.366 6.040 0.36 0.00 H new ATOM 0 HG3 ARG A 6 -21.643 -0.831 4.572 0.36 0.00 H new ATOM 0 HD2 ARG A 6 -20.354 -1.597 6.479 0.99 0.00 H new ATOM 0 HD3 ARG A 6 -19.459 -0.325 5.670 0.99 0.00 H new ATOM 0 HE ARG A 6 -21.127 0.725 7.811 0.56 0.00 H new ATOM 0 HH11 ARG A 6 -18.067 -0.872 7.055 0.10 0.00 H new ATOM 0 HH12 ARG A 6 -17.265 -0.280 8.514 0.10 0.00 H new ATOM 0 HH21 ARG A 6 -20.089 1.477 9.682 1.00 0.00 H new ATOM 0 HH22 ARG A 6 -18.405 1.043 9.994 1.00 0.00 H new ATOM 93 N ARG A 7 -22.030 1.261 2.000 1.00 0.00 N ATOM 94 CA ARG A 7 -22.528 0.641 0.779 0.77 0.00 C ATOM 95 C ARG A 7 -21.480 0.666 -0.330 1.00 0.00 C ATOM 96 O ARG A 7 -21.395 -0.265 -1.131 0.26 0.00 O ATOM 97 CB ARG A 7 -23.799 1.351 0.314 1.00 0.00 C ATOM 98 CG ARG A 7 -24.963 1.204 1.279 0.46 0.00 C ATOM 99 CD ARG A 7 -26.174 1.997 0.815 0.07 0.00 C ATOM 100 NE ARG A 7 -26.655 1.547 -0.489 0.24 0.00 N ATOM 101 CZ ARG A 7 -27.783 1.979 -1.047 1.00 0.00 C ATOM 102 NH1 ARG A 7 -28.539 2.871 -0.422 1.00 0.00 N ATOM 103 NH2 ARG A 7 -28.154 1.521 -2.235 0.37 0.00 N ATOM 0 H ARG A 7 -22.588 2.049 2.327 1.00 0.00 H new ATOM 0 HA ARG A 7 -22.755 -0.402 1.001 0.77 0.00 H new ATOM 0 HB2 ARG A 7 -23.584 2.411 0.176 1.00 0.00 H new ATOM 0 HB3 ARG A 7 -24.092 0.955 -0.659 1.00 0.00 H new ATOM 0 HG2 ARG A 7 -25.230 0.151 1.372 0.46 0.00 H new ATOM 0 HG3 ARG A 7 -24.661 1.545 2.269 0.46 0.00 H new ATOM 0 HD2 ARG A 7 -26.974 1.901 1.549 0.07 0.00 H new ATOM 0 HD3 ARG A 7 -25.916 3.055 0.761 0.07 0.00 H new ATOM 0 HE ARG A 7 -26.095 0.864 -1.000 0.24 0.00 H new ATOM 0 HH11 ARG A 7 -28.257 3.229 0.490 1.00 0.00 H new ATOM 0 HH12 ARG A 7 -29.403 3.199 -0.854 1.00 0.00 H new ATOM 0 HH21 ARG A 7 -27.574 0.837 -2.722 0.37 0.00 H new ATOM 0 HH22 ARG A 7 -29.019 1.853 -2.662 0.37 0.00 H new ATOM 117 N ARG A 8 -20.684 1.731 -0.374 0.09 0.00 N ATOM 118 CA ARG A 8 -19.651 1.870 -1.395 1.00 0.00 C ATOM 119 C ARG A 8 -18.680 0.694 -1.365 0.23 0.00 C ATOM 120 O ARG A 8 -18.378 0.103 -2.404 0.44 0.00 O ATOM 121 CB ARG A 8 -18.884 3.181 -1.205 1.00 0.00 C ATOM 122 CG ARG A 8 -19.719 4.423 -1.473 1.00 0.00 C ATOM 123 CD ARG A 8 -20.121 4.524 -2.937 1.00 0.00 C ATOM 124 NE ARG A 8 -20.932 5.711 -3.199 0.71 0.00 N ATOM 125 CZ ARG A 8 -21.111 6.231 -4.410 0.55 0.00 C ATOM 126 NH1 ARG A 8 -20.544 5.667 -5.469 0.76 0.00 N ATOM 127 NH2 ARG A 8 -21.858 7.316 -4.562 0.15 0.00 N ATOM 0 H ARG A 8 -20.735 2.509 0.284 0.09 0.00 H new ATOM 0 HA ARG A 8 -20.146 1.881 -2.366 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -18.503 3.224 -0.185 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -18.019 3.185 -1.869 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -20.613 4.402 -0.850 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -19.154 5.310 -1.189 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -19.226 4.552 -3.558 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -20.680 3.633 -3.222 1.00 0.00 H new ATOM 0 HE ARG A 8 -21.387 6.167 -2.408 0.71 0.00 H new ATOM 0 HH11 ARG A 8 -19.969 4.832 -5.356 0.76 0.00 H new ATOM 0 HH12 ARG A 8 -20.683 6.068 -6.396 0.76 0.00 H new ATOM 0 HH21 ARG A 8 -22.295 7.752 -3.750 0.15 0.00 H new ATOM 0 HH22 ARG A 8 -21.995 7.715 -5.491 0.15 0.00 H new ATOM 141 N LEU A 9 -18.195 0.354 -0.173 0.63 0.00 N ATOM 142 CA LEU A 9 -17.257 -0.752 -0.017 0.30 0.00 C ATOM 143 C LEU A 9 -17.835 -2.047 -0.576 1.00 0.00 C ATOM 144 O LEU A 9 -17.121 -2.839 -1.193 0.16 0.00 O ATOM 145 CB LEU A 9 -16.880 -0.930 1.455 0.25 0.00 C ATOM 146 CG LEU A 9 -15.964 0.158 2.021 0.13 0.00 C ATOM 147 CD1 LEU A 9 -15.790 -0.019 3.522 0.06 0.00 C ATOM 148 CD2 LEU A 9 -14.613 0.133 1.319 1.00 0.00 C ATOM 0 H LEU A 9 -18.436 0.828 0.697 0.63 0.00 H new ATOM 0 HA LEU A 9 -16.357 -0.511 -0.583 0.30 0.00 H new ATOM 0 HB2 LEU A 9 -17.794 -0.960 2.048 0.25 0.00 H new ATOM 0 HB3 LEU A 9 -16.390 -1.896 1.575 0.25 0.00 H new ATOM 0 HG LEU A 9 -16.428 1.128 1.842 0.13 0.00 H new ATOM 0 HD11 LEU A 9 -15.136 0.763 3.907 0.06 0.00 H new ATOM 0 HD12 LEU A 9 -16.762 0.047 4.011 0.06 0.00 H new ATOM 0 HD13 LEU A 9 -15.348 -0.994 3.724 0.06 0.00 H new ATOM 0 HD21 LEU A 9 -13.973 0.913 1.733 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -14.143 -0.839 1.468 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -14.754 0.308 0.252 1.00 0.00 H new ATOM 160 N MET A 10 -19.127 -2.258 -0.357 0.10 0.00 N ATOM 161 CA MET A 10 -19.797 -3.456 -0.852 0.06 0.00 C ATOM 162 C MET A 10 -19.769 -3.491 -2.376 1.00 0.00 C ATOM 163 O MET A 10 -19.728 -4.562 -2.983 0.45 0.00 O ATOM 164 CB MET A 10 -21.243 -3.504 -0.354 1.00 0.00 C ATOM 165 CG MET A 10 -21.366 -3.773 1.138 0.18 0.00 C ATOM 166 SD MET A 10 -20.632 -5.347 1.624 0.70 0.00 S ATOM 167 CE MET A 10 -21.562 -6.489 0.605 0.09 0.00 C ATOM 0 H MET A 10 -19.731 -1.618 0.158 0.10 0.00 H new ATOM 0 HA MET A 10 -19.265 -4.328 -0.471 0.06 0.00 H new ATOM 0 HB2 MET A 10 -21.729 -2.556 -0.585 1.00 0.00 H new ATOM 0 HB3 MET A 10 -21.781 -4.279 -0.900 1.00 0.00 H new ATOM 0 HG2 MET A 10 -20.884 -2.966 1.690 0.18 0.00 H new ATOM 0 HG3 MET A 10 -22.419 -3.766 1.419 0.18 0.00 H new ATOM 0 HE1 MET A 10 -21.448 -7.500 0.995 0.09 0.00 H new ATOM 0 HE2 MET A 10 -22.616 -6.212 0.617 0.09 0.00 H new ATOM 0 HE3 MET A 10 -21.188 -6.451 -0.418 0.09 0.00 H new ATOM 177 N ARG A 11 -19.793 -2.310 -2.988 0.69 0.00 N ATOM 178 CA ARG A 11 -19.769 -2.193 -4.440 1.00 0.00 C ATOM 179 C ARG A 11 -18.373 -2.475 -4.985 0.24 0.00 C ATOM 180 O ARG A 11 -18.218 -2.930 -6.120 1.00 0.00 O ATOM 181 CB ARG A 11 -20.226 -0.797 -4.869 0.65 0.00 C ATOM 182 CG ARG A 11 -21.617 -0.438 -4.375 1.00 0.00 C ATOM 183 CD ARG A 11 -22.022 0.960 -4.815 0.24 0.00 C ATOM 184 NE ARG A 11 -22.170 1.056 -6.264 0.10 0.00 N ATOM 185 CZ ARG A 11 -22.858 2.019 -6.873 1.00 0.00 C ATOM 186 NH1 ARG A 11 -23.459 2.963 -6.161 1.00 0.00 N ATOM 187 NH2 ARG A 11 -22.947 2.037 -8.196 0.47 0.00 N ATOM 0 H ARG A 11 -19.829 -1.417 -2.496 0.69 0.00 H new ATOM 0 HA ARG A 11 -20.456 -2.933 -4.851 1.00 0.00 H new ATOM 0 HB2 ARG A 11 -19.515 -0.060 -4.496 0.65 0.00 H new ATOM 0 HB3 ARG A 11 -20.208 -0.736 -5.957 0.65 0.00 H new ATOM 0 HG2 ARG A 11 -22.337 -1.163 -4.755 1.00 0.00 H new ATOM 0 HG3 ARG A 11 -21.645 -0.500 -3.287 1.00 0.00 H new ATOM 0 HD2 ARG A 11 -22.962 1.233 -4.336 0.24 0.00 H new ATOM 0 HD3 ARG A 11 -21.273 1.677 -4.479 0.24 0.00 H new ATOM 0 HE ARG A 11 -21.721 0.346 -6.842 0.10 0.00 H new ATOM 0 HH11 ARG A 11 -23.395 2.953 -5.143 1.00 0.00 H new ATOM 0 HH12 ARG A 11 -23.985 3.699 -6.631 1.00 0.00 H new ATOM 0 HH21 ARG A 11 -22.488 1.312 -8.748 0.47 0.00 H new ATOM 0 HH22 ARG A 11 -23.475 2.775 -8.662 0.47 0.00 H new ATOM 201 N ASP A 12 -17.358 -2.198 -4.173 0.28 0.00 N ATOM 202 CA ASP A 12 -15.974 -2.423 -4.574 0.15 0.00 C ATOM 203 C ASP A 12 -15.642 -3.912 -4.567 0.13 0.00 C ATOM 204 O ASP A 12 -14.901 -4.395 -5.424 0.94 0.00 O ATOM 205 CB ASP A 12 -15.020 -1.674 -3.642 1.00 0.00 C ATOM 206 CG ASP A 12 -15.252 -0.175 -3.656 0.20 0.00 C ATOM 207 OD1 ASP A 12 -14.968 0.459 -4.693 1.00 0.00 O ATOM 208 OD2 ASP A 12 -15.716 0.363 -2.630 0.07 0.00 O ATOM 0 H ASP A 12 -17.468 -1.817 -3.233 0.28 0.00 H new ATOM 0 HA ASP A 12 -15.851 -2.044 -5.589 0.15 0.00 H new ATOM 0 HB2 ASP A 12 -15.142 -2.048 -2.625 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -13.991 -1.882 -3.937 1.00 0.00 H new ATOM 213 N PHE A 13 -16.195 -4.631 -3.597 0.92 0.00 N ATOM 214 CA PHE A 13 -15.958 -6.065 -3.476 0.40 0.00 C ATOM 215 C PHE A 13 -16.653 -6.829 -4.598 0.07 0.00 C ATOM 216 O PHE A 13 -16.031 -7.633 -5.290 0.18 0.00 O ATOM 217 CB PHE A 13 -16.443 -6.571 -2.114 0.06 0.00 C ATOM 218 CG PHE A 13 -16.329 -8.060 -1.942 0.33 0.00 C ATOM 219 CD1 PHE A 13 -15.141 -8.717 -2.222 0.37 0.00 C ATOM 220 CD2 PHE A 13 -17.412 -8.803 -1.499 0.44 0.00 C ATOM 221 CE1 PHE A 13 -15.036 -10.086 -2.062 0.77 0.00 C ATOM 222 CE2 PHE A 13 -17.312 -10.172 -1.338 0.12 0.00 C ATOM 223 CZ PHE A 13 -16.123 -10.814 -1.620 1.00 0.00 C ATOM 0 H PHE A 13 -16.811 -4.244 -2.882 0.92 0.00 H new ATOM 0 HA PHE A 13 -14.885 -6.239 -3.557 0.40 0.00 H new ATOM 0 HB2 PHE A 13 -15.868 -6.079 -1.329 0.06 0.00 H new ATOM 0 HB3 PHE A 13 -17.484 -6.278 -1.978 0.06 0.00 H new ATOM 0 HD1 PHE A 13 -14.288 -8.153 -2.569 0.37 0.00 H new ATOM 0 HD2 PHE A 13 -18.345 -8.306 -1.277 0.44 0.00 H new ATOM 0 HE1 PHE A 13 -14.104 -10.586 -2.283 0.77 0.00 H new ATOM 0 HE2 PHE A 13 -18.163 -10.739 -0.992 0.12 0.00 H new ATOM 0 HZ PHE A 13 -16.043 -11.884 -1.495 1.00 0.00 H new ATOM 233 N LYS A 14 -17.947 -6.572 -4.770 1.00 0.00 N ATOM 234 CA LYS A 14 -18.720 -7.238 -5.811 0.21 0.00 C ATOM 235 C LYS A 14 -18.131 -6.948 -7.188 0.18 0.00 C ATOM 236 O LYS A 14 -18.217 -7.773 -8.095 0.45 0.00 O ATOM 237 CB LYS A 14 -20.183 -6.802 -5.753 1.00 0.00 C ATOM 238 CG LYS A 14 -20.390 -5.313 -5.948 0.28 0.00 C ATOM 239 CD LYS A 14 -20.692 -4.975 -7.398 0.09 0.00 C ATOM 240 CE LYS A 14 -21.032 -3.503 -7.571 1.00 0.00 C ATOM 241 NZ LYS A 14 -21.349 -3.169 -8.986 1.00 0.00 N ATOM 0 H LYS A 14 -18.479 -5.911 -4.204 1.00 0.00 H new ATOM 0 HA LYS A 14 -18.672 -8.313 -5.637 0.21 0.00 H new ATOM 0 HB2 LYS A 14 -20.742 -7.340 -6.519 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -20.601 -7.093 -4.789 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -21.211 -4.973 -5.316 0.28 0.00 H new ATOM 0 HG3 LYS A 14 -19.497 -4.776 -5.627 0.28 0.00 H new ATOM 0 HD2 LYS A 14 -19.831 -5.225 -8.017 0.09 0.00 H new ATOM 0 HD3 LYS A 14 -21.525 -5.585 -7.748 0.09 0.00 H new ATOM 0 HE2 LYS A 14 -21.883 -3.250 -6.939 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -20.193 -2.895 -7.234 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -21.575 -2.157 -9.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -20.528 -3.386 -9.586 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -22.166 -3.731 -9.301 1.00 0.00 H new ATOM 255 N ARG A 15 -17.548 -5.764 -7.338 0.11 0.00 N ATOM 256 CA ARG A 15 -16.937 -5.369 -8.601 0.80 0.00 C ATOM 257 C ARG A 15 -15.552 -5.994 -8.753 1.00 0.00 C ATOM 258 O ARG A 15 -15.070 -6.195 -9.867 1.00 0.00 O ATOM 259 CB ARG A 15 -16.836 -3.846 -8.696 1.00 0.00 C ATOM 260 CG ARG A 15 -16.268 -3.355 -10.019 0.62 0.00 C ATOM 261 CD ARG A 15 -16.119 -1.842 -10.035 1.00 0.00 C ATOM 262 NE ARG A 15 -15.601 -1.360 -11.313 0.08 0.00 N ATOM 263 CZ ARG A 15 -15.555 -0.075 -11.652 0.16 0.00 C ATOM 264 NH1 ARG A 15 -15.994 0.852 -10.810 0.53 0.00 N ATOM 265 NH2 ARG A 15 -15.069 0.286 -12.831 1.00 0.00 N ATOM 0 H ARG A 15 -17.486 -5.062 -6.601 0.11 0.00 H new ATOM 0 HA ARG A 15 -17.572 -5.731 -9.409 0.80 0.00 H new ATOM 0 HB2 ARG A 15 -17.827 -3.415 -8.553 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -16.209 -3.480 -7.883 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -15.297 -3.819 -10.194 0.62 0.00 H new ATOM 0 HG3 ARG A 15 -16.921 -3.666 -10.834 0.62 0.00 H new ATOM 0 HD2 ARG A 15 -17.086 -1.380 -9.838 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -15.449 -1.535 -9.232 1.00 0.00 H new ATOM 0 HE ARG A 15 -15.255 -2.047 -11.983 0.08 0.00 H new ATOM 0 HH11 ARG A 15 -16.368 0.579 -9.901 0.53 0.00 H new ATOM 0 HH12 ARG A 15 -15.958 1.837 -11.072 0.53 0.00 H new ATOM 0 HH21 ARG A 15 -14.729 -0.423 -13.481 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -15.035 1.272 -13.088 1.00 0.00 H new ATOM 279 N LEU A 16 -14.915 -6.298 -7.623 0.84 0.00 N ATOM 280 CA LEU A 16 -13.584 -6.896 -7.632 0.58 0.00 C ATOM 281 C LEU A 16 -13.593 -8.236 -8.365 1.00 0.00 C ATOM 282 O LEU A 16 -12.729 -8.502 -9.201 0.23 0.00 O ATOM 283 CB LEU A 16 -13.076 -7.093 -6.202 1.00 0.00 C ATOM 284 CG LEU A 16 -11.630 -7.579 -6.090 1.00 0.00 C ATOM 285 CD1 LEU A 16 -10.661 -6.461 -6.444 0.34 0.00 C ATOM 286 CD2 LEU A 16 -11.348 -8.104 -4.691 0.69 0.00 C ATOM 0 H LEU A 16 -15.300 -6.140 -6.692 0.84 0.00 H new ATOM 0 HA LEU A 16 -12.915 -6.215 -8.158 0.58 0.00 H new ATOM 0 HB2 LEU A 16 -13.168 -6.148 -5.666 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -13.724 -7.810 -5.698 1.00 0.00 H new ATOM 0 HG LEU A 16 -11.488 -8.395 -6.798 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -9.637 -6.826 -6.358 0.34 0.00 H new ATOM 0 HD12 LEU A 16 -10.844 -6.131 -7.466 0.34 0.00 H new ATOM 0 HD13 LEU A 16 -10.806 -5.624 -5.761 0.34 0.00 H new ATOM 0 HD21 LEU A 16 -10.314 -8.445 -4.632 0.69 0.00 H new ATOM 0 HD22 LEU A 16 -11.510 -7.308 -3.964 0.69 0.00 H new ATOM 0 HD23 LEU A 16 -12.017 -8.936 -4.473 0.69 0.00 H new ATOM 298 N GLN A 17 -14.574 -9.076 -8.044 0.07 0.00 N ATOM 299 CA GLN A 17 -14.693 -10.386 -8.666 0.11 0.00 C ATOM 300 C GLN A 17 -15.003 -10.265 -10.156 0.08 0.00 C ATOM 301 O GLN A 17 -14.781 -11.204 -10.921 0.90 0.00 O ATOM 302 CB GLN A 17 -15.778 -11.199 -7.961 0.53 0.00 C ATOM 303 CG GLN A 17 -17.130 -10.508 -7.915 0.06 0.00 C ATOM 304 CD GLN A 17 -18.163 -11.294 -7.132 1.00 0.00 C ATOM 305 OE1 GLN A 17 -19.090 -10.586 -6.497 1.00 0.00 O flip ATOM 306 NE2 GLN A 17 -18.128 -12.524 -7.098 0.72 0.00 N flip ATOM 0 H GLN A 17 -15.298 -8.870 -7.355 0.07 0.00 H new ATOM 0 HA GLN A 17 -13.737 -10.901 -8.566 0.11 0.00 H new ATOM 0 HB2 GLN A 17 -15.888 -12.158 -8.468 0.53 0.00 H new ATOM 0 HB3 GLN A 17 -15.455 -11.412 -6.942 0.53 0.00 H new ATOM 0 HG2 GLN A 17 -17.014 -9.521 -7.467 0.06 0.00 H new ATOM 0 HG3 GLN A 17 -17.490 -10.355 -8.932 0.06 0.00 H new ATOM 0 HE21 GLN A 17 -17.397 -13.028 -7.601 0.72 0.00 H new ATOM 0 HE22 GLN A 17 -18.830 -13.040 -6.567 0.72 0.00 H new ATOM 315 N GLU A 18 -15.519 -9.108 -10.562 1.00 0.00 N ATOM 316 CA GLU A 18 -15.850 -8.870 -11.964 0.10 0.00 C ATOM 317 C GLU A 18 -14.581 -8.695 -12.791 0.25 0.00 C ATOM 318 O GLU A 18 -14.480 -9.197 -13.910 0.23 0.00 O ATOM 319 CB GLU A 18 -16.735 -7.629 -12.103 0.20 0.00 C ATOM 320 CG GLU A 18 -18.047 -7.725 -11.343 1.00 0.00 C ATOM 321 CD GLU A 18 -18.899 -8.895 -11.794 0.59 0.00 C ATOM 322 OE1 GLU A 18 -19.584 -8.767 -12.831 0.19 0.00 O ATOM 323 OE2 GLU A 18 -18.883 -9.939 -11.108 0.08 0.00 O ATOM 0 H GLU A 18 -15.717 -8.323 -9.942 1.00 0.00 H new ATOM 0 HA GLU A 18 -16.396 -9.737 -12.336 0.10 0.00 H new ATOM 0 HB2 GLU A 18 -16.183 -6.759 -11.748 0.20 0.00 H new ATOM 0 HB3 GLU A 18 -16.948 -7.463 -13.159 0.20 0.00 H new ATOM 0 HG2 GLU A 18 -17.839 -7.822 -10.277 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -18.608 -6.800 -11.476 1.00 0.00 H new ATOM 330 N ASP A 19 -13.615 -7.978 -12.224 0.12 0.00 N ATOM 331 CA ASP A 19 -12.343 -7.732 -12.894 1.00 0.00 C ATOM 332 C ASP A 19 -11.265 -7.361 -11.875 0.09 0.00 C ATOM 333 O ASP A 19 -10.983 -6.182 -11.662 1.00 0.00 O ATOM 334 CB ASP A 19 -12.489 -6.615 -13.931 0.34 0.00 C ATOM 335 CG ASP A 19 -11.198 -6.353 -14.684 0.75 0.00 C ATOM 336 OD1 ASP A 19 -10.936 -7.066 -15.676 0.33 0.00 O ATOM 337 OD2 ASP A 19 -10.451 -5.437 -14.283 0.37 0.00 O ATOM 0 H ASP A 19 -13.690 -7.556 -11.298 0.12 0.00 H new ATOM 0 HA ASP A 19 -12.044 -8.647 -13.405 1.00 0.00 H new ATOM 0 HB2 ASP A 19 -13.273 -6.882 -14.640 0.34 0.00 H new ATOM 0 HB3 ASP A 19 -12.808 -5.700 -13.433 0.34 0.00 H new ATOM 342 N PRO A 20 -10.656 -8.369 -11.224 0.23 0.00 N ATOM 343 CA PRO A 20 -9.610 -8.141 -10.219 0.26 0.00 C ATOM 344 C PRO A 20 -8.319 -7.596 -10.831 0.36 0.00 C ATOM 345 O PRO A 20 -8.009 -7.879 -11.988 0.97 0.00 O ATOM 346 CB PRO A 20 -9.371 -9.535 -9.633 0.53 0.00 C ATOM 347 CG PRO A 20 -9.792 -10.474 -10.710 0.54 0.00 C ATOM 348 CD PRO A 20 -10.939 -9.805 -11.409 0.27 0.00 C ATOM 0 HA PRO A 20 -9.912 -7.397 -9.482 0.26 0.00 H new ATOM 0 HB2 PRO A 20 -8.323 -9.679 -9.369 0.53 0.00 H new ATOM 0 HB3 PRO A 20 -9.953 -9.688 -8.724 0.53 0.00 H new ATOM 0 HG2 PRO A 20 -8.972 -10.669 -11.402 0.54 0.00 H new ATOM 0 HG3 PRO A 20 -10.094 -11.435 -10.295 0.54 0.00 H new ATOM 0 HD2 PRO A 20 -10.980 -10.075 -12.464 0.27 0.00 H new ATOM 0 HD3 PRO A 20 -11.897 -10.086 -10.971 0.27 0.00 H new ATOM 356 N PRO A 21 -7.549 -6.800 -10.062 0.17 0.00 N ATOM 357 CA PRO A 21 -6.287 -6.228 -10.541 0.05 0.00 C ATOM 358 C PRO A 21 -5.226 -7.297 -10.779 0.35 0.00 C ATOM 359 O PRO A 21 -5.118 -8.258 -10.016 0.61 0.00 O ATOM 360 CB PRO A 21 -5.858 -5.290 -9.408 0.51 0.00 C ATOM 361 CG PRO A 21 -6.551 -5.806 -8.195 0.62 0.00 C ATOM 362 CD PRO A 21 -7.850 -6.393 -8.675 0.11 0.00 C ATOM 0 HA PRO A 21 -6.408 -5.723 -11.500 0.05 0.00 H new ATOM 0 HB2 PRO A 21 -4.776 -5.298 -9.278 0.51 0.00 H new ATOM 0 HB3 PRO A 21 -6.146 -4.260 -9.618 0.51 0.00 H new ATOM 0 HG2 PRO A 21 -5.946 -6.559 -7.691 0.62 0.00 H new ATOM 0 HG3 PRO A 21 -6.727 -5.005 -7.476 0.62 0.00 H new ATOM 0 HD2 PRO A 21 -8.157 -7.242 -8.065 0.11 0.00 H new ATOM 0 HD3 PRO A 21 -8.659 -5.664 -8.637 0.11 0.00 H new ATOM 370 N VAL A 22 -4.443 -7.123 -11.840 0.06 0.00 N ATOM 371 CA VAL A 22 -3.391 -8.074 -12.180 0.20 0.00 C ATOM 372 C VAL A 22 -2.077 -7.715 -11.495 0.08 0.00 C ATOM 373 O VAL A 22 -1.560 -6.610 -11.663 1.00 0.00 O ATOM 374 CB VAL A 22 -3.166 -8.137 -13.703 1.00 0.00 C ATOM 375 CG1 VAL A 22 -2.121 -9.188 -14.051 0.08 0.00 C ATOM 376 CG2 VAL A 22 -4.476 -8.415 -14.425 0.13 0.00 C ATOM 0 H VAL A 22 -4.518 -6.332 -12.479 0.06 0.00 H new ATOM 0 HA VAL A 22 -3.721 -9.051 -11.827 0.20 0.00 H new ATOM 0 HB VAL A 22 -2.793 -7.168 -14.035 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -1.978 -9.215 -15.131 0.08 0.00 H new ATOM 0 HG12 VAL A 22 -1.177 -8.937 -13.566 0.08 0.00 H new ATOM 0 HG13 VAL A 22 -2.458 -10.165 -13.705 0.08 0.00 H new ATOM 0 HG21 VAL A 22 -4.298 -8.456 -15.500 0.13 0.00 H new ATOM 0 HG22 VAL A 22 -4.882 -9.369 -14.088 0.13 0.00 H new ATOM 0 HG23 VAL A 22 -5.188 -7.620 -14.206 0.13 0.00 H new ATOM 386 N GLY A 23 -1.541 -8.657 -10.724 0.42 0.00 N ATOM 387 CA GLY A 23 -0.291 -8.423 -10.025 0.21 0.00 C ATOM 388 C GLY A 23 -0.498 -8.094 -8.560 0.09 0.00 C ATOM 389 O GLY A 23 0.465 -7.961 -7.805 1.00 0.00 O ATOM 0 H GLY A 23 -1.951 -9.578 -10.571 0.42 0.00 H new ATOM 0 HA2 GLY A 23 0.340 -9.308 -10.110 0.21 0.00 H new ATOM 0 HA3 GLY A 23 0.243 -7.603 -10.506 0.21 0.00 H new ATOM 393 N VAL A 24 -1.759 -7.963 -8.159 0.81 0.00 N ATOM 394 CA VAL A 24 -2.094 -7.647 -6.776 0.68 0.00 C ATOM 395 C VAL A 24 -3.531 -8.047 -6.457 0.35 0.00 C ATOM 396 O VAL A 24 -4.400 -8.022 -7.329 0.10 0.00 O ATOM 397 CB VAL A 24 -1.910 -6.143 -6.483 1.00 0.00 C ATOM 398 CG1 VAL A 24 -2.799 -5.305 -7.388 0.49 0.00 C ATOM 399 CG2 VAL A 24 -2.194 -5.843 -5.019 0.48 0.00 C ATOM 0 H VAL A 24 -2.566 -8.071 -8.774 0.81 0.00 H new ATOM 0 HA VAL A 24 -1.412 -8.216 -6.144 0.68 0.00 H new ATOM 0 HB VAL A 24 -0.873 -5.880 -6.690 1.00 0.00 H new ATOM 0 HG11 VAL A 24 -2.653 -4.248 -7.164 0.49 0.00 H new ATOM 0 HG12 VAL A 24 -2.540 -5.494 -8.430 0.49 0.00 H new ATOM 0 HG13 VAL A 24 -3.843 -5.571 -7.220 0.49 0.00 H new ATOM 0 HG21 VAL A 24 -2.059 -4.778 -4.833 0.48 0.00 H new ATOM 0 HG22 VAL A 24 -3.220 -6.125 -4.782 0.48 0.00 H new ATOM 0 HG23 VAL A 24 -1.507 -6.411 -4.391 0.48 0.00 H new ATOM 409 N SER A 25 -3.777 -8.423 -5.206 1.00 0.00 N ATOM 410 CA SER A 25 -5.113 -8.823 -4.779 1.00 0.00 C ATOM 411 C SER A 25 -5.451 -8.229 -3.416 0.37 0.00 C ATOM 412 O SER A 25 -4.581 -8.074 -2.563 1.00 0.00 O ATOM 413 CB SER A 25 -5.222 -10.347 -4.723 1.00 0.00 C ATOM 414 OG SER A 25 -6.514 -10.752 -4.308 0.44 0.00 O ATOM 0 H SER A 25 -3.070 -8.459 -4.472 1.00 0.00 H new ATOM 0 HA SER A 25 -5.827 -8.442 -5.509 1.00 0.00 H new ATOM 0 HB2 SER A 25 -5.004 -10.766 -5.705 1.00 0.00 H new ATOM 0 HB3 SER A 25 -4.475 -10.743 -4.035 1.00 0.00 H new ATOM 0 HG SER A 25 -6.558 -11.731 -4.282 0.44 0.00 H new ATOM 420 N GLY A 26 -6.724 -7.893 -3.225 0.06 0.00 N ATOM 421 CA GLY A 26 -7.162 -7.324 -1.964 0.70 0.00 C ATOM 422 C GLY A 26 -8.640 -7.541 -1.717 0.63 0.00 C ATOM 423 O GLY A 26 -9.483 -6.987 -2.424 0.30 0.00 O ATOM 0 H GLY A 26 -7.460 -8.005 -3.922 0.06 0.00 H new ATOM 0 HA2 GLY A 26 -6.591 -7.769 -1.149 0.70 0.00 H new ATOM 0 HA3 GLY A 26 -6.948 -6.255 -1.957 0.70 0.00 H new ATOM 427 N ALA A 27 -8.956 -8.348 -0.711 0.62 0.00 N ATOM 428 CA ALA A 27 -10.343 -8.641 -0.372 0.63 0.00 C ATOM 429 C ALA A 27 -10.519 -8.808 1.137 0.06 0.00 C ATOM 430 O ALA A 27 -9.562 -9.122 1.846 0.11 0.00 O ATOM 431 CB ALA A 27 -10.806 -9.890 -1.106 0.18 0.00 C ATOM 0 H ALA A 27 -8.270 -8.811 -0.115 0.62 0.00 H new ATOM 0 HA ALA A 27 -10.958 -7.798 -0.687 0.63 0.00 H new ATOM 0 HB1 ALA A 27 -11.843 -10.101 -0.846 0.18 0.00 H new ATOM 0 HB2 ALA A 27 -10.726 -9.731 -2.181 0.18 0.00 H new ATOM 0 HB3 ALA A 27 -10.181 -10.735 -0.817 0.18 0.00 H new ATOM 437 N PRO A 28 -11.748 -8.603 1.650 0.16 0.00 N ATOM 438 CA PRO A 28 -12.035 -8.732 3.081 0.23 0.00 C ATOM 439 C PRO A 28 -11.947 -10.176 3.557 1.00 0.00 C ATOM 440 O PRO A 28 -12.533 -11.075 2.954 1.00 0.00 O ATOM 441 CB PRO A 28 -13.470 -8.215 3.207 1.00 0.00 C ATOM 442 CG PRO A 28 -14.068 -8.434 1.863 0.07 0.00 C ATOM 443 CD PRO A 28 -12.950 -8.230 0.879 0.54 0.00 C ATOM 0 HA PRO A 28 -11.317 -8.184 3.691 0.23 0.00 H new ATOM 0 HB2 PRO A 28 -14.020 -8.755 3.978 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -13.489 -7.160 3.482 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -14.484 -9.438 1.779 0.07 0.00 H new ATOM 0 HG3 PRO A 28 -14.883 -7.734 1.679 0.07 0.00 H new ATOM 0 HD2 PRO A 28 -13.072 -8.857 -0.004 0.54 0.00 H new ATOM 0 HD3 PRO A 28 -12.902 -7.197 0.533 0.54 0.00 H new ATOM 451 N SER A 29 -11.209 -10.392 4.640 0.20 0.00 N ATOM 452 CA SER A 29 -11.043 -11.728 5.197 1.00 0.00 C ATOM 453 C SER A 29 -12.390 -12.324 5.593 0.22 0.00 C ATOM 454 O SER A 29 -12.901 -13.226 4.926 1.00 0.00 O ATOM 455 CB SER A 29 -10.113 -11.685 6.412 0.10 0.00 C ATOM 456 OG SER A 29 -8.836 -11.185 6.060 0.09 0.00 O ATOM 0 H SER A 29 -10.716 -9.658 5.149 0.20 0.00 H new ATOM 0 HA SER A 29 -10.598 -12.362 4.430 1.00 0.00 H new ATOM 0 HB2 SER A 29 -10.552 -11.057 7.187 0.10 0.00 H new ATOM 0 HB3 SER A 29 -10.012 -12.686 6.832 0.10 0.00 H new ATOM 0 HG SER A 29 -8.262 -11.166 6.854 0.09 0.00 H new ATOM 462 N GLU A 30 -12.963 -11.814 6.681 1.00 0.00 N ATOM 463 CA GLU A 30 -14.251 -12.295 7.170 0.15 0.00 C ATOM 464 C GLU A 30 -14.763 -11.418 8.308 1.00 0.00 C ATOM 465 O GLU A 30 -15.973 -11.271 8.495 0.09 0.00 O ATOM 466 CB GLU A 30 -14.132 -13.746 7.645 0.54 0.00 C ATOM 467 CG GLU A 30 -15.442 -14.340 8.139 1.00 0.00 C ATOM 468 CD GLU A 30 -16.518 -14.346 7.071 0.11 0.00 C ATOM 469 OE1 GLU A 30 -16.417 -15.161 6.129 0.31 0.00 O ATOM 470 OE2 GLU A 30 -17.463 -13.534 7.176 1.00 0.00 O ATOM 0 H GLU A 30 -12.554 -11.066 7.241 1.00 0.00 H new ATOM 0 HA GLU A 30 -14.964 -12.246 6.347 0.15 0.00 H new ATOM 0 HB2 GLU A 30 -13.753 -14.357 6.825 0.54 0.00 H new ATOM 0 HB3 GLU A 30 -13.396 -13.797 8.447 0.54 0.00 H new ATOM 0 HG2 GLU A 30 -15.268 -15.360 8.480 1.00 0.00 H new ATOM 0 HG3 GLU A 30 -15.793 -13.771 9.000 1.00 0.00 H new ATOM 477 N ASN A 31 -13.836 -10.839 9.065 0.13 0.00 N ATOM 478 CA ASN A 31 -14.194 -9.985 10.192 0.30 0.00 C ATOM 479 C ASN A 31 -14.477 -8.555 9.736 0.15 0.00 C ATOM 480 O ASN A 31 -13.567 -7.830 9.333 0.36 0.00 O ATOM 481 CB ASN A 31 -13.072 -9.985 11.232 0.20 0.00 C ATOM 482 CG ASN A 31 -13.463 -9.260 12.505 0.55 0.00 C ATOM 483 OD1 ASN A 31 -14.629 -9.265 12.902 0.13 0.00 O ATOM 484 ND2 ASN A 31 -12.490 -8.628 13.150 0.15 0.00 N ATOM 0 H ASN A 31 -12.832 -10.946 8.919 0.13 0.00 H new ATOM 0 HA ASN A 31 -15.103 -10.387 10.640 0.30 0.00 H new ATOM 0 HB2 ASN A 31 -12.802 -11.014 11.471 0.20 0.00 H new ATOM 0 HB3 ASN A 31 -12.186 -9.514 10.806 0.20 0.00 H new ATOM 0 HD21 ASN A 31 -12.695 -8.120 14.011 0.15 0.00 H new ATOM 0 HD22 ASN A 31 -11.538 -8.650 12.785 0.15 0.00 H new ATOM 491 N ASN A 32 -15.746 -8.162 9.805 0.27 0.00 N ATOM 492 CA ASN A 32 -16.169 -6.818 9.409 1.00 0.00 C ATOM 493 C ASN A 32 -15.772 -6.504 7.969 0.09 0.00 C ATOM 494 O ASN A 32 -15.212 -7.344 7.266 1.00 0.00 O ATOM 495 CB ASN A 32 -15.566 -5.771 10.349 1.00 0.00 C ATOM 496 CG ASN A 32 -15.976 -5.983 11.793 0.25 0.00 C ATOM 497 OD1 ASN A 32 -15.299 -6.684 12.545 0.11 0.00 O ATOM 498 ND2 ASN A 32 -17.089 -5.375 12.190 0.06 0.00 N ATOM 0 H ASN A 32 -16.505 -8.758 10.134 0.27 0.00 H new ATOM 0 HA ASN A 32 -17.256 -6.785 9.477 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.479 -5.804 10.275 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -15.878 -4.777 10.028 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -17.412 -5.480 13.152 0.06 0.00 H new ATOM 0 HD22 ASN A 32 -17.620 -4.803 11.533 0.06 0.00 H new ATOM 505 N ILE A 33 -16.078 -5.283 7.541 0.08 0.00 N ATOM 506 CA ILE A 33 -15.760 -4.835 6.191 1.00 0.00 C ATOM 507 C ILE A 33 -14.707 -3.728 6.226 0.74 0.00 C ATOM 508 O ILE A 33 -14.270 -3.233 5.188 0.72 0.00 O ATOM 509 CB ILE A 33 -17.025 -4.326 5.466 0.46 0.00 C ATOM 510 CG1 ILE A 33 -16.740 -4.100 3.977 1.00 0.00 C ATOM 511 CG2 ILE A 33 -17.529 -3.046 6.119 0.38 0.00 C ATOM 512 CD1 ILE A 33 -17.976 -3.776 3.165 0.40 0.00 C ATOM 0 H ILE A 33 -16.549 -4.583 8.114 0.08 0.00 H new ATOM 0 HA ILE A 33 -15.362 -5.689 5.643 1.00 0.00 H new ATOM 0 HB ILE A 33 -17.802 -5.085 5.550 0.46 0.00 H new ATOM 0 HG12 ILE A 33 -16.023 -3.286 3.873 1.00 0.00 H new ATOM 0 HG13 ILE A 33 -16.270 -4.993 3.566 1.00 0.00 H new ATOM 0 HG21 ILE A 33 -18.421 -2.698 5.598 0.38 0.00 H new ATOM 0 HG22 ILE A 33 -17.772 -3.242 7.163 0.38 0.00 H new ATOM 0 HG23 ILE A 33 -16.755 -2.280 6.064 0.38 0.00 H new ATOM 0 HD11 ILE A 33 -17.698 -3.629 2.121 0.40 0.00 H new ATOM 0 HD12 ILE A 33 -18.686 -4.600 3.239 0.40 0.00 H new ATOM 0 HD13 ILE A 33 -18.436 -2.866 3.550 0.40 0.00 H new ATOM 524 N MET A 34 -14.305 -3.347 7.435 0.12 0.00 N ATOM 525 CA MET A 34 -13.306 -2.299 7.615 0.72 0.00 C ATOM 526 C MET A 34 -11.904 -2.828 7.331 0.39 0.00 C ATOM 527 O MET A 34 -11.143 -2.224 6.575 1.00 0.00 O ATOM 528 CB MET A 34 -13.369 -1.744 9.038 0.06 0.00 C ATOM 529 CG MET A 34 -14.737 -1.208 9.427 0.17 0.00 C ATOM 530 SD MET A 34 -14.808 -0.687 11.151 1.00 0.00 S ATOM 531 CE MET A 34 -16.512 -0.149 11.275 1.00 0.00 C ATOM 0 H MET A 34 -14.656 -3.748 8.305 0.12 0.00 H new ATOM 0 HA MET A 34 -13.526 -1.500 6.908 0.72 0.00 H new ATOM 0 HB2 MET A 34 -13.085 -2.530 9.738 0.06 0.00 H new ATOM 0 HB3 MET A 34 -12.634 -0.946 9.140 0.06 0.00 H new ATOM 0 HG2 MET A 34 -14.989 -0.364 8.785 0.17 0.00 H new ATOM 0 HG3 MET A 34 -15.489 -1.978 9.252 0.17 0.00 H new ATOM 0 HE1 MET A 34 -16.864 -0.288 12.297 1.00 0.00 H new ATOM 0 HE2 MET A 34 -16.581 0.905 11.007 1.00 0.00 H new ATOM 0 HE3 MET A 34 -17.129 -0.737 10.596 1.00 0.00 H new ATOM 541 N GLN A 35 -11.567 -3.958 7.946 0.25 0.00 N ATOM 542 CA GLN A 35 -10.252 -4.564 7.762 0.10 0.00 C ATOM 543 C GLN A 35 -10.216 -5.420 6.501 1.00 0.00 C ATOM 544 O GLN A 35 -10.991 -6.365 6.357 0.67 0.00 O ATOM 545 CB GLN A 35 -9.879 -5.414 8.980 0.05 0.00 C ATOM 546 CG GLN A 35 -8.500 -6.048 8.879 1.00 0.00 C ATOM 547 CD GLN A 35 -8.094 -6.775 10.145 0.06 0.00 C ATOM 548 OE1 GLN A 35 -8.384 -7.960 10.315 0.09 0.00 O ATOM 549 NE2 GLN A 35 -7.415 -6.068 11.042 0.09 0.00 N ATOM 0 H GLN A 35 -12.185 -4.472 8.575 0.25 0.00 H new ATOM 0 HA GLN A 35 -9.525 -3.759 7.654 0.10 0.00 H new ATOM 0 HB2 GLN A 35 -9.919 -4.791 9.874 0.05 0.00 H new ATOM 0 HB3 GLN A 35 -10.623 -6.200 9.106 0.05 0.00 H new ATOM 0 HG2 GLN A 35 -8.487 -6.748 8.044 1.00 0.00 H new ATOM 0 HG3 GLN A 35 -7.765 -5.274 8.658 1.00 0.00 H new ATOM 0 HE21 GLN A 35 -7.196 -5.088 10.860 0.09 0.00 H new ATOM 0 HE22 GLN A 35 -7.112 -6.505 11.913 0.09 0.00 H new ATOM 558 N TRP A 36 -9.308 -5.080 5.592 0.38 0.00 N ATOM 559 CA TRP A 36 -9.165 -5.812 4.337 0.65 0.00 C ATOM 560 C TRP A 36 -7.749 -6.356 4.183 1.00 0.00 C ATOM 561 O TRP A 36 -6.773 -5.654 4.439 0.18 0.00 O ATOM 562 CB TRP A 36 -9.509 -4.907 3.151 0.58 0.00 C ATOM 563 CG TRP A 36 -10.979 -4.817 2.875 0.06 0.00 C ATOM 564 CD1 TRP A 36 -11.986 -4.720 3.794 0.30 0.00 C ATOM 565 CD2 TRP A 36 -11.612 -4.810 1.589 0.14 0.00 C ATOM 566 NE1 TRP A 36 -13.203 -4.661 3.159 0.51 0.00 N ATOM 567 CE2 TRP A 36 -13.000 -4.714 1.805 0.11 0.00 C ATOM 568 CE3 TRP A 36 -11.139 -4.881 0.275 0.81 0.00 C ATOM 569 CZ2 TRP A 36 -13.918 -4.683 0.759 0.09 0.00 C ATOM 570 CZ3 TRP A 36 -12.051 -4.848 -0.763 0.13 0.00 C ATOM 571 CH2 TRP A 36 -13.427 -4.751 -0.517 0.13 0.00 C ATOM 0 H TRP A 36 -8.659 -4.301 5.701 0.38 0.00 H new ATOM 0 HA TRP A 36 -9.858 -6.653 4.355 0.65 0.00 H new ATOM 0 HB2 TRP A 36 -9.121 -3.907 3.343 0.58 0.00 H new ATOM 0 HB3 TRP A 36 -9.002 -5.280 2.261 0.58 0.00 H new ATOM 0 HD1 TRP A 36 -11.845 -4.694 4.864 0.30 0.00 H new ATOM 0 HE1 TRP A 36 -14.110 -4.589 3.620 0.51 0.00 H new ATOM 0 HE3 TRP A 36 -10.081 -4.960 0.075 0.81 0.00 H new ATOM 0 HZ2 TRP A 36 -14.979 -4.608 0.947 0.09 0.00 H new ATOM 0 HZ3 TRP A 36 -11.697 -4.898 -1.782 0.13 0.00 H new ATOM 0 HH2 TRP A 36 -14.114 -4.729 -1.350 0.13 0.00 H new ATOM 582 N ASN A 37 -7.646 -7.609 3.752 0.43 0.00 N ATOM 583 CA ASN A 37 -6.349 -8.249 3.564 0.24 0.00 C ATOM 584 C ASN A 37 -5.945 -8.238 2.094 0.67 0.00 C ATOM 585 O ASN A 37 -6.669 -8.748 1.239 1.00 0.00 O ATOM 586 CB ASN A 37 -6.387 -9.688 4.083 0.30 0.00 C ATOM 587 CG ASN A 37 -5.071 -10.413 3.877 1.00 0.00 C ATOM 588 OD1 ASN A 37 -4.852 -11.041 2.840 0.09 0.00 O ATOM 589 ND2 ASN A 37 -4.189 -10.330 4.866 0.16 0.00 N ATOM 0 H ASN A 37 -8.445 -8.201 3.526 0.43 0.00 H new ATOM 0 HA ASN A 37 -5.608 -7.685 4.130 0.24 0.00 H new ATOM 0 HB2 ASN A 37 -6.633 -9.682 5.145 0.30 0.00 H new ATOM 0 HB3 ASN A 37 -7.182 -10.233 3.575 0.30 0.00 H new ATOM 0 HD21 ASN A 37 -3.286 -10.798 4.785 0.16 0.00 H new ATOM 0 HD22 ASN A 37 -4.414 -9.798 5.707 0.16 0.00 H new ATOM 596 N ALA A 38 -4.786 -7.653 1.810 0.10 0.00 N ATOM 597 CA ALA A 38 -4.286 -7.572 0.443 1.00 0.00 C ATOM 598 C ALA A 38 -2.813 -7.955 0.369 0.48 0.00 C ATOM 599 O ALA A 38 -2.061 -7.766 1.326 0.07 0.00 O ATOM 600 CB ALA A 38 -4.490 -6.169 -0.112 0.92 0.00 C ATOM 0 H ALA A 38 -4.176 -7.228 2.508 0.10 0.00 H new ATOM 0 HA ALA A 38 -4.851 -8.281 -0.162 1.00 0.00 H new ATOM 0 HB1 ALA A 38 -4.112 -6.123 -1.133 0.92 0.00 H new ATOM 0 HB2 ALA A 38 -5.553 -5.927 -0.107 0.92 0.00 H new ATOM 0 HB3 ALA A 38 -3.951 -5.451 0.507 0.92 0.00 H new ATOM 606 N VAL A 39 -2.411 -8.503 -0.774 1.00 0.00 N ATOM 607 CA VAL A 39 -1.029 -8.913 -0.985 0.08 0.00 C ATOM 608 C VAL A 39 -0.475 -8.307 -2.269 1.00 0.00 C ATOM 609 O VAL A 39 -1.024 -8.514 -3.351 0.51 0.00 O ATOM 610 CB VAL A 39 -0.904 -10.447 -1.058 0.92 0.00 C ATOM 611 CG1 VAL A 39 0.559 -10.865 -1.054 0.09 0.00 C ATOM 612 CG2 VAL A 39 -1.658 -11.101 0.087 0.10 0.00 C ATOM 0 H VAL A 39 -3.026 -8.673 -1.570 1.00 0.00 H new ATOM 0 HA VAL A 39 -0.453 -8.551 -0.133 0.08 0.00 H new ATOM 0 HB VAL A 39 -1.351 -10.785 -1.993 0.92 0.00 H new ATOM 0 HG11 VAL A 39 0.627 -11.952 -1.106 0.09 0.00 H new ATOM 0 HG12 VAL A 39 1.065 -10.428 -1.915 0.09 0.00 H new ATOM 0 HG13 VAL A 39 1.035 -10.515 -0.138 0.09 0.00 H new ATOM 0 HG21 VAL A 39 -1.557 -12.184 0.017 0.10 0.00 H new ATOM 0 HG22 VAL A 39 -1.246 -10.759 1.036 0.10 0.00 H new ATOM 0 HG23 VAL A 39 -2.712 -10.830 0.030 0.10 0.00 H new ATOM 622 N ILE A 40 0.614 -7.557 -2.141 1.00 0.00 N ATOM 623 CA ILE A 40 1.243 -6.922 -3.291 0.27 0.00 C ATOM 624 C ILE A 40 2.524 -7.649 -3.678 1.00 0.00 C ATOM 625 O ILE A 40 3.377 -7.917 -2.830 0.99 0.00 O ATOM 626 CB ILE A 40 1.572 -5.439 -3.011 0.74 0.00 C ATOM 627 CG1 ILE A 40 0.293 -4.653 -2.715 0.56 0.00 C ATOM 628 CG2 ILE A 40 2.316 -4.828 -4.191 0.76 0.00 C ATOM 629 CD1 ILE A 40 0.542 -3.214 -2.312 0.27 0.00 C ATOM 0 H ILE A 40 1.079 -7.374 -1.252 1.00 0.00 H new ATOM 0 HA ILE A 40 0.529 -6.976 -4.113 0.27 0.00 H new ATOM 0 HB ILE A 40 2.217 -5.387 -2.134 0.74 0.00 H new ATOM 0 HG12 ILE A 40 -0.345 -4.668 -3.599 0.56 0.00 H new ATOM 0 HG13 ILE A 40 -0.255 -5.155 -1.917 0.56 0.00 H new ATOM 0 HG21 ILE A 40 2.540 -3.783 -3.978 0.76 0.00 H new ATOM 0 HG22 ILE A 40 3.246 -5.372 -4.356 0.76 0.00 H new ATOM 0 HG23 ILE A 40 1.695 -4.891 -5.085 0.76 0.00 H new ATOM 0 HD11 ILE A 40 -0.410 -2.720 -2.118 0.27 0.00 H new ATOM 0 HD12 ILE A 40 1.154 -3.189 -1.410 0.27 0.00 H new ATOM 0 HD13 ILE A 40 1.062 -2.695 -3.117 0.27 0.00 H new ATOM 641 N PHE A 41 2.655 -7.969 -4.960 1.00 0.00 N ATOM 642 CA PHE A 41 3.837 -8.663 -5.456 0.68 0.00 C ATOM 643 C PHE A 41 4.760 -7.695 -6.190 1.00 0.00 C ATOM 644 O PHE A 41 4.302 -6.721 -6.788 1.00 0.00 O ATOM 645 CB PHE A 41 3.430 -9.812 -6.380 0.15 0.00 C ATOM 646 CG PHE A 41 2.481 -10.788 -5.742 0.11 0.00 C ATOM 647 CD1 PHE A 41 2.830 -11.456 -4.579 0.37 0.00 C ATOM 648 CD2 PHE A 41 1.240 -11.037 -6.307 1.00 0.00 C ATOM 649 CE1 PHE A 41 1.960 -12.354 -3.991 0.24 0.00 C ATOM 650 CE2 PHE A 41 0.365 -11.933 -5.723 1.00 0.00 C ATOM 651 CZ PHE A 41 0.726 -12.593 -4.564 0.15 0.00 C ATOM 0 H PHE A 41 1.958 -7.759 -5.674 1.00 0.00 H new ATOM 0 HA PHE A 41 4.377 -9.074 -4.603 0.68 0.00 H new ATOM 0 HB2 PHE A 41 2.966 -9.400 -7.276 0.15 0.00 H new ATOM 0 HB3 PHE A 41 4.325 -10.345 -6.700 0.15 0.00 H new ATOM 0 HD1 PHE A 41 3.793 -11.272 -4.127 0.37 0.00 H new ATOM 0 HD2 PHE A 41 0.954 -10.525 -7.214 1.00 0.00 H new ATOM 0 HE1 PHE A 41 2.244 -12.868 -3.085 0.24 0.00 H new ATOM 0 HE2 PHE A 41 -0.600 -12.117 -6.172 1.00 0.00 H new ATOM 0 HZ PHE A 41 0.044 -13.295 -4.107 0.15 0.00 H new ATOM 661 N GLY A 42 6.061 -7.971 -6.140 0.97 0.00 N ATOM 662 CA GLY A 42 7.031 -7.113 -6.799 0.28 0.00 C ATOM 663 C GLY A 42 6.743 -6.928 -8.280 0.74 0.00 C ATOM 664 O GLY A 42 6.307 -7.866 -8.947 0.06 0.00 O ATOM 0 H GLY A 42 6.461 -8.774 -5.655 0.97 0.00 H new ATOM 0 HA2 GLY A 42 7.039 -6.139 -6.310 0.28 0.00 H new ATOM 0 HA3 GLY A 42 8.027 -7.538 -6.678 0.28 0.00 H new ATOM 668 N PRO A 43 6.978 -5.718 -8.828 1.00 0.00 N ATOM 669 CA PRO A 43 6.736 -5.429 -10.248 0.92 0.00 C ATOM 670 C PRO A 43 7.690 -6.169 -11.178 1.00 0.00 C ATOM 671 O PRO A 43 7.670 -5.962 -12.392 0.10 0.00 O ATOM 672 CB PRO A 43 6.972 -3.922 -10.353 1.00 0.00 C ATOM 673 CG PRO A 43 7.864 -3.591 -9.208 1.00 0.00 C ATOM 674 CD PRO A 43 7.486 -4.536 -8.104 0.21 0.00 C ATOM 0 HA PRO A 43 5.739 -5.749 -10.551 0.92 0.00 H new ATOM 0 HB2 PRO A 43 7.437 -3.661 -11.304 1.00 0.00 H new ATOM 0 HB3 PRO A 43 6.034 -3.371 -10.295 1.00 0.00 H new ATOM 0 HG2 PRO A 43 8.912 -3.710 -9.482 1.00 0.00 H new ATOM 0 HG3 PRO A 43 7.732 -2.555 -8.897 1.00 0.00 H new ATOM 0 HD2 PRO A 43 8.342 -4.785 -7.477 0.21 0.00 H new ATOM 0 HD3 PRO A 43 6.726 -4.108 -7.450 0.21 0.00 H new ATOM 682 N GLU A 44 8.527 -7.020 -10.598 0.70 0.00 N ATOM 683 CA GLU A 44 9.501 -7.801 -11.361 0.09 0.00 C ATOM 684 C GLU A 44 10.554 -6.892 -11.985 0.06 0.00 C ATOM 685 O GLU A 44 10.255 -6.088 -12.868 0.60 0.00 O ATOM 686 CB GLU A 44 8.805 -8.628 -12.447 0.05 0.00 C ATOM 687 CG GLU A 44 9.756 -9.505 -13.242 0.26 0.00 C ATOM 688 CD GLU A 44 9.069 -10.227 -14.386 0.68 0.00 C ATOM 689 OE1 GLU A 44 8.997 -9.653 -15.492 1.00 0.00 O ATOM 690 OE2 GLU A 44 8.606 -11.368 -14.175 0.05 0.00 O ATOM 0 H GLU A 44 8.553 -7.190 -9.593 0.70 0.00 H new ATOM 0 HA GLU A 44 9.997 -8.484 -10.671 0.09 0.00 H new ATOM 0 HB2 GLU A 44 8.045 -9.257 -11.983 0.05 0.00 H new ATOM 0 HB3 GLU A 44 8.287 -7.954 -13.130 0.05 0.00 H new ATOM 0 HG2 GLU A 44 10.564 -8.891 -13.639 0.26 0.00 H new ATOM 0 HG3 GLU A 44 10.210 -10.238 -12.576 0.26 0.00 H new ATOM 697 N GLY A 45 11.790 -7.029 -11.517 0.31 0.00 N ATOM 698 CA GLY A 45 12.876 -6.212 -12.027 1.00 0.00 C ATOM 699 C GLY A 45 13.484 -5.336 -10.949 0.23 0.00 C ATOM 700 O GLY A 45 14.461 -4.628 -11.188 1.00 0.00 O ATOM 0 H GLY A 45 12.060 -7.693 -10.791 0.31 0.00 H new ATOM 0 HA2 GLY A 45 13.648 -6.857 -12.448 1.00 0.00 H new ATOM 0 HA3 GLY A 45 12.507 -5.585 -12.838 1.00 0.00 H new ATOM 704 N THR A 46 12.895 -5.391 -9.758 0.25 0.00 N ATOM 705 CA THR A 46 13.373 -4.605 -8.626 1.00 0.00 C ATOM 706 C THR A 46 13.988 -5.506 -7.559 0.05 0.00 C ATOM 707 O THR A 46 13.741 -6.710 -7.545 0.08 0.00 O ATOM 708 CB THR A 46 12.228 -3.792 -7.990 1.00 0.00 C ATOM 709 OG1 THR A 46 11.170 -4.667 -7.585 0.09 0.00 O ATOM 710 CG2 THR A 46 11.692 -2.758 -8.967 0.45 0.00 C ATOM 0 H THR A 46 12.084 -5.974 -9.552 0.25 0.00 H new ATOM 0 HA THR A 46 14.131 -3.921 -9.007 1.00 0.00 H new ATOM 0 HB THR A 46 12.623 -3.273 -7.116 1.00 0.00 H new ATOM 0 HG1 THR A 46 10.448 -4.142 -7.181 0.09 0.00 H new ATOM 0 HG21 THR A 46 10.885 -2.197 -8.496 0.45 0.00 H new ATOM 0 HG22 THR A 46 12.493 -2.075 -9.249 0.45 0.00 H new ATOM 0 HG23 THR A 46 11.313 -3.260 -9.857 0.45 0.00 H new ATOM 718 N PRO A 47 14.804 -4.941 -6.650 0.38 0.00 N ATOM 719 CA PRO A 47 15.437 -5.713 -5.576 0.90 0.00 C ATOM 720 C PRO A 47 14.419 -6.249 -4.572 0.36 0.00 C ATOM 721 O PRO A 47 14.783 -6.878 -3.580 0.67 0.00 O ATOM 722 CB PRO A 47 16.375 -4.703 -4.895 1.00 0.00 C ATOM 723 CG PRO A 47 16.481 -3.555 -5.841 0.32 0.00 C ATOM 724 CD PRO A 47 15.188 -3.522 -6.598 1.00 0.00 C ATOM 0 HA PRO A 47 15.952 -6.591 -5.964 0.90 0.00 H new ATOM 0 HB2 PRO A 47 15.975 -4.383 -3.933 1.00 0.00 H new ATOM 0 HB3 PRO A 47 17.353 -5.144 -4.702 1.00 0.00 H new ATOM 0 HG2 PRO A 47 16.642 -2.620 -5.304 0.32 0.00 H new ATOM 0 HG3 PRO A 47 17.326 -3.684 -6.518 0.32 0.00 H new ATOM 0 HD2 PRO A 47 14.437 -2.918 -6.089 1.00 0.00 H new ATOM 0 HD3 PRO A 47 15.314 -3.100 -7.595 1.00 0.00 H new ATOM 732 N PHE A 48 13.139 -5.992 -4.838 1.00 0.00 N ATOM 733 CA PHE A 48 12.066 -6.446 -3.962 0.21 0.00 C ATOM 734 C PHE A 48 11.253 -7.553 -4.625 0.55 0.00 C ATOM 735 O PHE A 48 10.375 -8.147 -4.002 1.00 0.00 O ATOM 736 CB PHE A 48 11.145 -5.280 -3.599 1.00 0.00 C ATOM 737 CG PHE A 48 11.875 -4.044 -3.159 0.88 0.00 C ATOM 738 CD1 PHE A 48 12.369 -3.145 -4.093 0.18 0.00 C ATOM 739 CD2 PHE A 48 12.067 -3.778 -1.812 0.69 0.00 C ATOM 740 CE1 PHE A 48 13.039 -2.006 -3.692 0.14 0.00 C ATOM 741 CE2 PHE A 48 12.739 -2.640 -1.405 1.00 0.00 C ATOM 742 CZ PHE A 48 13.225 -1.754 -2.346 0.05 0.00 C ATOM 0 H PHE A 48 12.822 -5.471 -5.655 1.00 0.00 H new ATOM 0 HA PHE A 48 12.520 -6.842 -3.054 0.21 0.00 H new ATOM 0 HB2 PHE A 48 10.525 -5.037 -4.462 1.00 0.00 H new ATOM 0 HB3 PHE A 48 10.472 -5.596 -2.802 1.00 0.00 H new ATOM 0 HD1 PHE A 48 12.228 -3.338 -5.146 0.18 0.00 H new ATOM 0 HD2 PHE A 48 11.687 -4.467 -1.072 0.69 0.00 H new ATOM 0 HE1 PHE A 48 13.417 -1.313 -4.429 0.14 0.00 H new ATOM 0 HE2 PHE A 48 12.883 -2.444 -0.353 1.00 0.00 H new ATOM 0 HZ PHE A 48 13.750 -0.865 -2.030 0.05 0.00 H new ATOM 752 N GLU A 49 11.543 -7.816 -5.897 0.45 0.00 N ATOM 753 CA GLU A 49 10.834 -8.849 -6.645 0.12 0.00 C ATOM 754 C GLU A 49 11.027 -10.226 -6.012 1.00 0.00 C ATOM 755 O GLU A 49 10.186 -11.110 -6.166 1.00 0.00 O ATOM 756 CB GLU A 49 11.313 -8.876 -8.101 0.13 0.00 C ATOM 757 CG GLU A 49 12.712 -9.445 -8.276 0.68 0.00 C ATOM 758 CD GLU A 49 13.169 -9.439 -9.721 0.13 0.00 C ATOM 759 OE1 GLU A 49 12.777 -10.358 -10.471 1.00 0.00 O ATOM 760 OE2 GLU A 49 13.919 -8.517 -10.103 0.07 0.00 O ATOM 0 H GLU A 49 12.263 -7.328 -6.430 0.45 0.00 H new ATOM 0 HA GLU A 49 9.772 -8.607 -6.619 0.12 0.00 H new ATOM 0 HB2 GLU A 49 10.614 -9.467 -8.693 0.13 0.00 H new ATOM 0 HB3 GLU A 49 11.291 -7.862 -8.500 0.13 0.00 H new ATOM 0 HG2 GLU A 49 13.413 -8.866 -7.675 0.68 0.00 H new ATOM 0 HG3 GLU A 49 12.735 -10.466 -7.896 0.68 0.00 H new ATOM 767 N ASP A 50 12.136 -10.399 -5.301 0.94 0.00 N ATOM 768 CA ASP A 50 12.438 -11.671 -4.653 1.00 0.00 C ATOM 769 C ASP A 50 11.739 -11.784 -3.300 0.61 0.00 C ATOM 770 O ASP A 50 11.902 -12.778 -2.591 1.00 0.00 O ATOM 771 CB ASP A 50 13.950 -11.830 -4.477 1.00 0.00 C ATOM 772 CG ASP A 50 14.561 -10.700 -3.672 0.25 0.00 C ATOM 773 OD1 ASP A 50 14.915 -9.665 -4.275 0.70 0.00 O ATOM 774 OD2 ASP A 50 14.686 -10.849 -2.438 1.00 0.00 O ATOM 0 H ASP A 50 12.840 -9.675 -5.159 0.94 0.00 H new ATOM 0 HA ASP A 50 12.066 -12.470 -5.294 1.00 0.00 H new ATOM 0 HB2 ASP A 50 14.157 -12.779 -3.982 1.00 0.00 H new ATOM 0 HB3 ASP A 50 14.425 -11.872 -5.457 1.00 0.00 H new ATOM 779 N GLY A 51 10.960 -10.765 -2.948 0.26 0.00 N ATOM 780 CA GLY A 51 10.250 -10.778 -1.681 0.20 0.00 C ATOM 781 C GLY A 51 8.831 -10.251 -1.800 0.29 0.00 C ATOM 782 O GLY A 51 8.563 -9.342 -2.584 1.00 0.00 O ATOM 0 H GLY A 51 10.808 -9.932 -3.516 0.26 0.00 H new ATOM 0 HA2 GLY A 51 10.224 -11.797 -1.294 0.20 0.00 H new ATOM 0 HA3 GLY A 51 10.797 -10.176 -0.956 0.20 0.00 H new ATOM 786 N THR A 52 7.920 -10.829 -1.021 1.00 0.00 N ATOM 787 CA THR A 52 6.523 -10.408 -1.037 1.00 0.00 C ATOM 788 C THR A 52 6.213 -9.505 0.151 0.10 0.00 C ATOM 789 O THR A 52 6.911 -9.539 1.165 0.97 0.00 O ATOM 790 CB THR A 52 5.567 -11.617 -1.009 0.16 0.00 C ATOM 791 OG1 THR A 52 5.739 -12.349 0.210 0.80 0.00 O ATOM 792 CG2 THR A 52 5.819 -12.533 -2.195 0.29 0.00 C ATOM 0 H THR A 52 8.124 -11.589 -0.372 1.00 0.00 H new ATOM 0 HA THR A 52 6.369 -9.857 -1.965 1.00 0.00 H new ATOM 0 HB THR A 52 4.544 -11.245 -1.068 0.16 0.00 H new ATOM 0 HG1 THR A 52 5.127 -13.114 0.221 0.80 0.00 H new ATOM 0 HG21 THR A 52 5.133 -13.379 -2.154 0.29 0.00 H new ATOM 0 HG22 THR A 52 5.659 -11.981 -3.121 0.29 0.00 H new ATOM 0 HG23 THR A 52 6.846 -12.897 -2.162 0.29 0.00 H new ATOM 800 N PHE A 53 5.164 -8.700 0.021 1.00 0.00 N ATOM 801 CA PHE A 53 4.767 -7.787 1.089 0.07 0.00 C ATOM 802 C PHE A 53 3.268 -7.878 1.358 0.32 0.00 C ATOM 803 O PHE A 53 2.454 -7.723 0.448 0.05 0.00 O ATOM 804 CB PHE A 53 5.146 -6.350 0.728 1.00 0.00 C ATOM 805 CG PHE A 53 6.597 -6.178 0.374 1.00 0.00 C ATOM 806 CD1 PHE A 53 7.583 -6.336 1.334 0.19 0.00 C ATOM 807 CD2 PHE A 53 6.973 -5.861 -0.921 0.85 0.00 C ATOM 808 CE1 PHE A 53 8.920 -6.180 1.009 1.00 0.00 C ATOM 809 CE2 PHE A 53 8.306 -5.703 -1.253 0.33 0.00 C ATOM 810 CZ PHE A 53 9.280 -5.863 -0.287 1.00 0.00 C ATOM 0 H PHE A 53 4.574 -8.660 -0.810 1.00 0.00 H new ATOM 0 HA PHE A 53 5.297 -8.079 1.996 0.07 0.00 H new ATOM 0 HB2 PHE A 53 4.535 -6.023 -0.113 1.00 0.00 H new ATOM 0 HB3 PHE A 53 4.907 -5.698 1.568 1.00 0.00 H new ATOM 0 HD1 PHE A 53 7.306 -6.584 2.348 0.19 0.00 H new ATOM 0 HD2 PHE A 53 6.216 -5.736 -1.681 0.85 0.00 H new ATOM 0 HE1 PHE A 53 9.679 -6.306 1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 53 8.585 -5.455 -2.266 0.33 0.00 H new ATOM 0 HZ PHE A 53 10.322 -5.741 -0.544 1.00 0.00 H new ATOM 820 N LYS A 54 2.913 -8.132 2.614 0.06 0.00 N ATOM 821 CA LYS A 54 1.513 -8.241 3.008 1.00 0.00 C ATOM 822 C LYS A 54 1.071 -6.998 3.774 1.00 0.00 C ATOM 823 O LYS A 54 1.569 -6.721 4.865 0.43 0.00 O ATOM 824 CB LYS A 54 1.299 -9.486 3.869 0.22 0.00 C ATOM 825 CG LYS A 54 1.632 -10.784 3.151 0.27 0.00 C ATOM 826 CD LYS A 54 1.525 -11.979 4.083 0.42 0.00 C ATOM 827 CE LYS A 54 1.865 -13.276 3.367 0.27 0.00 C ATOM 828 NZ LYS A 54 3.224 -13.236 2.760 0.34 0.00 N ATOM 0 H LYS A 54 3.577 -8.266 3.377 0.06 0.00 H new ATOM 0 HA LYS A 54 0.910 -8.326 2.104 1.00 0.00 H new ATOM 0 HB2 LYS A 54 1.914 -9.408 4.766 0.22 0.00 H new ATOM 0 HB3 LYS A 54 0.260 -9.517 4.197 0.22 0.00 H new ATOM 0 HG2 LYS A 54 0.956 -10.918 2.307 0.27 0.00 H new ATOM 0 HG3 LYS A 54 2.642 -10.727 2.745 0.27 0.00 H new ATOM 0 HD2 LYS A 54 2.198 -11.843 4.930 0.42 0.00 H new ATOM 0 HD3 LYS A 54 0.514 -12.039 4.485 0.42 0.00 H new ATOM 0 HE2 LYS A 54 1.807 -14.106 4.072 0.27 0.00 H new ATOM 0 HE3 LYS A 54 1.125 -13.466 2.589 0.27 0.00 H new ATOM 0 HZ1 LYS A 54 3.520 -14.201 2.508 0.34 0.00 H new ATOM 0 HZ2 LYS A 54 3.205 -12.645 1.905 0.34 0.00 H new ATOM 0 HZ3 LYS A 54 3.898 -12.835 3.443 0.34 0.00 H new ATOM 842 N LEU A 55 0.135 -6.252 3.197 0.46 0.00 N ATOM 843 CA LEU A 55 -0.368 -5.038 3.825 0.52 0.00 C ATOM 844 C LEU A 55 -1.870 -5.128 4.066 0.50 0.00 C ATOM 845 O LEU A 55 -2.550 -5.987 3.503 1.00 0.00 O ATOM 846 CB LEU A 55 -0.034 -3.794 2.983 0.11 0.00 C ATOM 847 CG LEU A 55 -0.153 -3.936 1.455 0.06 0.00 C ATOM 848 CD1 LEU A 55 0.962 -4.808 0.899 0.17 0.00 C ATOM 849 CD2 LEU A 55 -1.511 -4.493 1.059 0.44 0.00 C ATOM 0 H LEU A 55 -0.290 -6.468 2.295 0.46 0.00 H new ATOM 0 HA LEU A 55 0.130 -4.939 4.790 0.52 0.00 H new ATOM 0 HB2 LEU A 55 -0.690 -2.983 3.301 0.11 0.00 H new ATOM 0 HB3 LEU A 55 0.986 -3.489 3.217 0.11 0.00 H new ATOM 0 HG LEU A 55 -0.056 -2.940 1.024 0.06 0.00 H new ATOM 0 HD11 LEU A 55 0.854 -4.891 -0.182 0.17 0.00 H new ATOM 0 HD12 LEU A 55 1.927 -4.358 1.133 0.17 0.00 H new ATOM 0 HD13 LEU A 55 0.906 -5.800 1.347 0.17 0.00 H new ATOM 0 HD21 LEU A 55 -1.565 -4.582 -0.026 0.44 0.00 H new ATOM 0 HD22 LEU A 55 -1.647 -5.475 1.511 0.44 0.00 H new ATOM 0 HD23 LEU A 55 -2.295 -3.821 1.408 0.44 0.00 H new ATOM 861 N VAL A 56 -2.381 -4.239 4.910 0.94 0.00 N ATOM 862 CA VAL A 56 -3.801 -4.217 5.229 0.19 0.00 C ATOM 863 C VAL A 56 -4.405 -2.845 4.949 0.19 0.00 C ATOM 864 O VAL A 56 -3.789 -1.815 5.233 1.00 0.00 O ATOM 865 CB VAL A 56 -4.048 -4.590 6.704 0.81 0.00 C ATOM 866 CG1 VAL A 56 -3.349 -3.608 7.631 0.29 0.00 C ATOM 867 CG2 VAL A 56 -5.538 -4.649 7.003 1.00 0.00 C ATOM 0 H VAL A 56 -1.831 -3.524 5.386 0.94 0.00 H new ATOM 0 HA VAL A 56 -4.284 -4.957 4.591 0.19 0.00 H new ATOM 0 HB VAL A 56 -3.628 -5.580 6.880 0.81 0.00 H new ATOM 0 HG11 VAL A 56 -3.536 -3.890 8.667 0.29 0.00 H new ATOM 0 HG12 VAL A 56 -2.276 -3.626 7.438 0.29 0.00 H new ATOM 0 HG13 VAL A 56 -3.733 -2.603 7.453 0.29 0.00 H new ATOM 0 HG21 VAL A 56 -5.689 -4.914 8.049 1.00 0.00 H new ATOM 0 HG22 VAL A 56 -5.987 -3.676 6.807 1.00 0.00 H new ATOM 0 HG23 VAL A 56 -6.007 -5.400 6.367 1.00 0.00 H new ATOM 877 N ILE A 57 -5.609 -2.837 4.388 0.37 0.00 N ATOM 878 CA ILE A 57 -6.299 -1.592 4.076 0.29 0.00 C ATOM 879 C ILE A 57 -7.459 -1.368 5.037 1.00 0.00 C ATOM 880 O ILE A 57 -8.467 -2.072 4.986 1.00 0.00 O ATOM 881 CB ILE A 57 -6.834 -1.578 2.626 0.21 0.00 C ATOM 882 CG1 ILE A 57 -5.701 -1.818 1.625 0.26 0.00 C ATOM 883 CG2 ILE A 57 -7.526 -0.255 2.332 1.00 0.00 C ATOM 884 CD1 ILE A 57 -5.315 -3.274 1.474 0.19 0.00 C ATOM 0 H ILE A 57 -6.127 -3.680 4.140 0.37 0.00 H new ATOM 0 HA ILE A 57 -5.570 -0.789 4.183 0.29 0.00 H new ATOM 0 HB ILE A 57 -7.559 -2.385 2.522 0.21 0.00 H new ATOM 0 HG12 ILE A 57 -6.000 -1.429 0.652 0.26 0.00 H new ATOM 0 HG13 ILE A 57 -4.825 -1.251 1.940 0.26 0.00 H new ATOM 0 HG21 ILE A 57 -7.898 -0.259 1.307 1.00 0.00 H new ATOM 0 HG22 ILE A 57 -8.360 -0.120 3.020 1.00 0.00 H new ATOM 0 HG23 ILE A 57 -6.816 0.563 2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 57 -4.507 -3.363 0.748 0.19 0.00 H new ATOM 0 HD12 ILE A 57 -4.983 -3.664 2.436 0.19 0.00 H new ATOM 0 HD13 ILE A 57 -6.177 -3.845 1.129 0.19 0.00 H new ATOM 896 N GLU A 58 -7.309 -0.384 5.915 0.36 0.00 N ATOM 897 CA GLU A 58 -8.341 -0.066 6.897 0.51 0.00 C ATOM 898 C GLU A 58 -9.269 1.031 6.385 0.78 0.00 C ATOM 899 O GLU A 58 -8.891 1.829 5.527 0.10 0.00 O ATOM 900 CB GLU A 58 -7.704 0.370 8.217 0.06 0.00 C ATOM 901 CG GLU A 58 -6.790 -0.678 8.831 0.08 0.00 C ATOM 902 CD GLU A 58 -7.518 -1.964 9.166 0.20 0.00 C ATOM 903 OE1 GLU A 58 -7.623 -2.835 8.278 1.00 0.00 O ATOM 904 OE2 GLU A 58 -7.982 -2.100 10.318 0.65 0.00 O ATOM 0 H GLU A 58 -6.481 0.209 5.968 0.36 0.00 H new ATOM 0 HA GLU A 58 -8.931 -0.967 7.063 0.51 0.00 H new ATOM 0 HB2 GLU A 58 -7.134 1.284 8.050 0.06 0.00 H new ATOM 0 HB3 GLU A 58 -8.493 0.612 8.928 0.06 0.00 H new ATOM 0 HG2 GLU A 58 -5.977 -0.895 8.139 0.08 0.00 H new ATOM 0 HG3 GLU A 58 -6.338 -0.274 9.737 0.08 0.00 H new ATOM 911 N PHE A 59 -10.486 1.064 6.923 0.55 0.00 N ATOM 912 CA PHE A 59 -11.473 2.066 6.531 0.45 0.00 C ATOM 913 C PHE A 59 -12.183 2.633 7.758 1.00 0.00 C ATOM 914 O PHE A 59 -12.143 2.042 8.838 0.70 0.00 O ATOM 915 CB PHE A 59 -12.501 1.461 5.574 1.00 0.00 C ATOM 916 CG PHE A 59 -11.938 1.096 4.230 0.27 0.00 C ATOM 917 CD1 PHE A 59 -11.869 2.037 3.214 1.00 0.00 C ATOM 918 CD2 PHE A 59 -11.480 -0.188 3.982 0.36 0.00 C ATOM 919 CE1 PHE A 59 -11.355 1.704 1.978 0.07 0.00 C ATOM 920 CE2 PHE A 59 -10.964 -0.527 2.746 1.00 0.00 C ATOM 921 CZ PHE A 59 -10.901 0.420 1.742 0.34 0.00 C ATOM 0 H PHE A 59 -10.812 0.408 7.632 0.55 0.00 H new ATOM 0 HA PHE A 59 -10.948 2.875 6.023 0.45 0.00 H new ATOM 0 HB2 PHE A 59 -12.929 0.570 6.032 1.00 0.00 H new ATOM 0 HB3 PHE A 59 -13.316 2.171 5.435 1.00 0.00 H new ATOM 0 HD1 PHE A 59 -12.222 3.042 3.392 1.00 0.00 H new ATOM 0 HD2 PHE A 59 -11.527 -0.932 4.763 0.36 0.00 H new ATOM 0 HE1 PHE A 59 -11.307 2.446 1.195 0.07 0.00 H new ATOM 0 HE2 PHE A 59 -10.610 -1.531 2.565 1.00 0.00 H new ATOM 0 HZ PHE A 59 -10.498 0.158 0.775 0.34 0.00 H new ATOM 931 N SER A 60 -12.830 3.780 7.582 0.64 0.00 N ATOM 932 CA SER A 60 -13.554 4.425 8.671 0.06 0.00 C ATOM 933 C SER A 60 -14.902 4.944 8.187 0.07 0.00 C ATOM 934 O SER A 60 -14.977 5.652 7.183 1.00 0.00 O ATOM 935 CB SER A 60 -12.729 5.576 9.251 0.12 0.00 C ATOM 936 OG SER A 60 -13.394 6.178 10.348 1.00 0.00 O ATOM 0 H SER A 60 -12.868 4.282 6.695 0.64 0.00 H new ATOM 0 HA SER A 60 -13.726 3.684 9.452 0.06 0.00 H new ATOM 0 HB2 SER A 60 -11.756 5.205 9.571 0.12 0.00 H new ATOM 0 HB3 SER A 60 -12.547 6.323 8.478 0.12 0.00 H new ATOM 0 HG SER A 60 -12.846 6.909 10.702 1.00 0.00 H new ATOM 942 N GLU A 61 -15.964 4.587 8.902 0.06 0.00 N ATOM 943 CA GLU A 61 -17.308 5.023 8.538 0.23 0.00 C ATOM 944 C GLU A 61 -17.435 6.538 8.654 0.06 0.00 C ATOM 945 O GLU A 61 -17.791 7.063 9.711 1.00 0.00 O ATOM 946 CB GLU A 61 -18.351 4.336 9.422 0.39 0.00 C ATOM 947 CG GLU A 61 -19.783 4.717 9.082 1.00 0.00 C ATOM 948 CD GLU A 61 -20.795 4.091 10.020 0.15 0.00 C ATOM 949 OE1 GLU A 61 -20.993 4.632 11.129 0.40 0.00 O ATOM 950 OE2 GLU A 61 -21.391 3.058 9.647 0.07 0.00 O ATOM 0 H GLU A 61 -15.921 3.999 9.734 0.06 0.00 H new ATOM 0 HA GLU A 61 -17.487 4.741 7.501 0.23 0.00 H new ATOM 0 HB2 GLU A 61 -18.239 3.256 9.329 0.39 0.00 H new ATOM 0 HB3 GLU A 61 -18.154 4.588 10.464 0.39 0.00 H new ATOM 0 HG2 GLU A 61 -19.884 5.802 9.117 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -20.003 4.410 8.060 1.00 0.00 H new ATOM 957 N GLU A 62 -17.139 7.234 7.561 0.38 0.00 N ATOM 958 CA GLU A 62 -17.213 8.689 7.532 0.19 0.00 C ATOM 959 C GLU A 62 -17.947 9.168 6.284 0.17 0.00 C ATOM 960 O GLU A 62 -19.107 9.574 6.351 0.14 0.00 O ATOM 961 CB GLU A 62 -15.807 9.291 7.573 0.21 0.00 C ATOM 962 CG GLU A 62 -15.058 9.012 8.866 0.06 0.00 C ATOM 963 CD GLU A 62 -15.662 9.725 10.059 0.15 0.00 C ATOM 964 OE1 GLU A 62 -15.331 10.911 10.272 1.00 0.00 O ATOM 965 OE2 GLU A 62 -16.465 9.099 10.783 0.10 0.00 O ATOM 0 H GLU A 62 -16.845 6.811 6.681 0.38 0.00 H new ATOM 0 HA GLU A 62 -17.768 9.020 8.410 0.19 0.00 H new ATOM 0 HB2 GLU A 62 -15.229 8.898 6.737 0.21 0.00 H new ATOM 0 HB3 GLU A 62 -15.879 10.369 7.431 0.21 0.00 H new ATOM 0 HG2 GLU A 62 -15.054 7.938 9.054 0.06 0.00 H new ATOM 0 HG3 GLU A 62 -14.019 9.320 8.752 0.06 0.00 H new ATOM 972 N TYR A 63 -17.259 9.118 5.147 0.60 0.00 N ATOM 973 CA TYR A 63 -17.839 9.545 3.879 0.14 0.00 C ATOM 974 C TYR A 63 -17.352 8.658 2.735 0.33 0.00 C ATOM 975 O TYR A 63 -16.277 8.066 2.821 1.00 0.00 O ATOM 976 CB TYR A 63 -17.480 11.006 3.594 0.09 0.00 C ATOM 977 CG TYR A 63 -18.082 11.983 4.578 1.00 0.00 C ATOM 978 CD1 TYR A 63 -19.398 12.408 4.444 0.23 0.00 C ATOM 979 CD2 TYR A 63 -17.335 12.479 5.638 1.00 0.00 C ATOM 980 CE1 TYR A 63 -19.952 13.301 5.341 0.29 0.00 C ATOM 981 CE2 TYR A 63 -17.884 13.372 6.540 0.14 0.00 C ATOM 982 CZ TYR A 63 -19.192 13.780 6.387 0.05 0.00 C ATOM 983 OH TYR A 63 -19.741 14.669 7.281 1.00 0.00 O ATOM 0 H TYR A 63 -16.297 8.785 5.079 0.60 0.00 H new ATOM 0 HA TYR A 63 -18.923 9.453 3.954 0.14 0.00 H new ATOM 0 HB2 TYR A 63 -16.395 11.113 3.606 0.09 0.00 H new ATOM 0 HB3 TYR A 63 -17.814 11.264 2.589 0.09 0.00 H new ATOM 0 HD1 TYR A 63 -19.997 12.035 3.626 0.23 0.00 H new ATOM 0 HD2 TYR A 63 -16.310 12.163 5.760 1.00 0.00 H new ATOM 0 HE1 TYR A 63 -20.976 13.623 5.223 0.29 0.00 H new ATOM 0 HE2 TYR A 63 -17.291 13.748 7.360 0.14 0.00 H new ATOM 0 HH TYR A 63 -19.073 14.907 7.958 1.00 0.00 H new ATOM 993 N PRO A 64 -18.136 8.555 1.645 0.52 0.00 N ATOM 994 CA PRO A 64 -17.769 7.734 0.487 0.30 0.00 C ATOM 995 C PRO A 64 -16.558 8.292 -0.254 0.68 0.00 C ATOM 996 O PRO A 64 -16.068 7.687 -1.207 0.56 0.00 O ATOM 997 CB PRO A 64 -19.012 7.792 -0.405 1.00 0.00 C ATOM 998 CG PRO A 64 -19.707 9.049 -0.014 0.40 0.00 C ATOM 999 CD PRO A 64 -19.438 9.226 1.454 1.00 0.00 C ATOM 0 HA PRO A 64 -17.487 6.722 0.779 0.30 0.00 H new ATOM 0 HB2 PRO A 64 -18.740 7.803 -1.461 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -19.651 6.923 -0.249 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -19.331 9.898 -0.586 0.40 0.00 H new ATOM 0 HG3 PRO A 64 -20.777 8.981 -0.210 0.40 0.00 H new ATOM 0 HD2 PRO A 64 -19.392 10.279 1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -20.218 8.771 2.064 1.00 0.00 H new ATOM 1007 N ASN A 65 -16.078 9.448 0.196 0.21 0.00 N ATOM 1008 CA ASN A 65 -14.925 10.092 -0.423 0.53 0.00 C ATOM 1009 C ASN A 65 -13.809 10.303 0.595 0.29 0.00 C ATOM 1010 O ASN A 65 -12.717 10.756 0.248 0.23 0.00 O ATOM 1011 CB ASN A 65 -15.331 11.433 -1.033 0.07 0.00 C ATOM 1012 CG ASN A 65 -16.521 11.309 -1.967 0.10 0.00 C ATOM 1013 OD1 ASN A 65 -16.628 10.175 -2.650 0.06 0.00 O flip ATOM 1014 ND2 ASN A 65 -17.337 12.227 -2.074 1.00 0.00 N flip ATOM 0 H ASN A 65 -16.470 9.958 0.988 0.21 0.00 H new ATOM 0 HA ASN A 65 -14.555 9.438 -1.212 0.53 0.00 H new ATOM 0 HB2 ASN A 65 -15.572 12.134 -0.234 0.07 0.00 H new ATOM 0 HB3 ASN A 65 -14.486 11.851 -1.580 0.07 0.00 H new ATOM 0 HD21 ASN A 65 -17.217 13.082 -1.531 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -18.132 12.132 -2.706 1.00 0.00 H new ATOM 1021 N LYS A 66 -14.089 9.975 1.853 1.00 0.00 N ATOM 1022 CA LYS A 66 -13.108 10.129 2.922 0.05 0.00 C ATOM 1023 C LYS A 66 -11.865 9.280 2.642 0.56 0.00 C ATOM 1024 O LYS A 66 -11.981 8.094 2.333 1.00 0.00 O ATOM 1025 CB LYS A 66 -13.723 9.727 4.263 0.74 0.00 C ATOM 1026 CG LYS A 66 -12.918 10.180 5.470 0.19 0.00 C ATOM 1027 CD LYS A 66 -12.986 11.688 5.649 0.31 0.00 C ATOM 1028 CE LYS A 66 -12.216 12.138 6.881 0.21 0.00 C ATOM 1029 NZ LYS A 66 -12.270 13.614 7.061 0.40 0.00 N ATOM 0 H LYS A 66 -14.988 9.601 2.157 1.00 0.00 H new ATOM 0 HA LYS A 66 -12.810 11.177 2.966 0.05 0.00 H new ATOM 0 HB2 LYS A 66 -14.727 10.145 4.331 0.74 0.00 H new ATOM 0 HB3 LYS A 66 -13.826 8.642 4.294 0.74 0.00 H new ATOM 0 HG2 LYS A 66 -13.296 9.688 6.366 0.19 0.00 H new ATOM 0 HG3 LYS A 66 -11.879 9.873 5.352 0.19 0.00 H new ATOM 0 HD2 LYS A 66 -12.579 12.179 4.765 0.31 0.00 H new ATOM 0 HD3 LYS A 66 -14.027 11.999 5.736 0.31 0.00 H new ATOM 0 HE2 LYS A 66 -12.627 11.649 7.764 0.21 0.00 H new ATOM 0 HE3 LYS A 66 -11.177 11.821 6.796 0.21 0.00 H new ATOM 0 HZ1 LYS A 66 -11.733 13.880 7.911 0.40 0.00 H new ATOM 0 HZ2 LYS A 66 -11.855 14.081 6.229 0.40 0.00 H new ATOM 0 HZ3 LYS A 66 -13.260 13.915 7.168 0.40 0.00 H new ATOM 1043 N PRO A 67 -10.656 9.873 2.740 0.22 0.00 N ATOM 1044 CA PRO A 67 -9.403 9.149 2.490 0.12 0.00 C ATOM 1045 C PRO A 67 -9.163 8.038 3.515 0.46 0.00 C ATOM 1046 O PRO A 67 -9.102 8.301 4.715 0.25 0.00 O ATOM 1047 CB PRO A 67 -8.326 10.231 2.620 0.72 0.00 C ATOM 1048 CG PRO A 67 -8.951 11.296 3.451 0.15 0.00 C ATOM 1049 CD PRO A 67 -10.411 11.282 3.102 1.00 0.00 C ATOM 0 HA PRO A 67 -9.410 8.652 1.520 0.12 0.00 H new ATOM 0 HB2 PRO A 67 -7.426 9.838 3.093 0.72 0.00 H new ATOM 0 HB3 PRO A 67 -8.031 10.614 1.643 0.72 0.00 H new ATOM 0 HG2 PRO A 67 -8.801 11.102 4.513 0.15 0.00 H new ATOM 0 HG3 PRO A 67 -8.507 12.269 3.239 0.15 0.00 H new ATOM 0 HD2 PRO A 67 -11.029 11.595 3.943 1.00 0.00 H new ATOM 0 HD3 PRO A 67 -10.634 11.955 2.274 1.00 0.00 H new ATOM 1057 N PRO A 68 -9.023 6.777 3.057 0.57 0.00 N ATOM 1058 CA PRO A 68 -8.792 5.640 3.953 1.00 0.00 C ATOM 1059 C PRO A 68 -7.362 5.596 4.485 0.06 0.00 C ATOM 1060 O PRO A 68 -6.579 6.522 4.269 0.06 0.00 O ATOM 1061 CB PRO A 68 -9.068 4.432 3.060 1.00 0.00 C ATOM 1062 CG PRO A 68 -8.730 4.897 1.686 0.36 0.00 C ATOM 1063 CD PRO A 68 -9.078 6.361 1.641 0.21 0.00 C ATOM 0 HA PRO A 68 -9.420 5.686 4.842 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -8.458 3.576 3.350 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -10.110 4.119 3.128 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -7.673 4.741 1.471 0.36 0.00 H new ATOM 0 HG3 PRO A 68 -9.293 4.340 0.937 0.36 0.00 H new ATOM 0 HD2 PRO A 68 -8.370 6.922 1.031 0.21 0.00 H new ATOM 0 HD3 PRO A 68 -10.067 6.525 1.214 0.21 0.00 H new ATOM 1071 N THR A 69 -7.033 4.513 5.182 1.00 0.00 N ATOM 1072 CA THR A 69 -5.701 4.336 5.746 0.20 0.00 C ATOM 1073 C THR A 69 -5.145 2.960 5.397 1.00 0.00 C ATOM 1074 O THR A 69 -5.847 1.954 5.501 1.00 0.00 O ATOM 1075 CB THR A 69 -5.713 4.501 7.278 0.05 0.00 C ATOM 1076 OG1 THR A 69 -6.273 5.772 7.631 0.87 0.00 O ATOM 1077 CG2 THR A 69 -4.308 4.388 7.849 0.22 0.00 C ATOM 0 H THR A 69 -7.674 3.742 5.370 1.00 0.00 H new ATOM 0 HA THR A 69 -5.064 5.107 5.313 0.20 0.00 H new ATOM 0 HB THR A 69 -6.325 3.703 7.699 0.05 0.00 H new ATOM 0 HG1 THR A 69 -6.278 5.868 8.606 0.87 0.00 H new ATOM 0 HG21 THR A 69 -4.345 4.508 8.932 0.22 0.00 H new ATOM 0 HG22 THR A 69 -3.894 3.409 7.606 0.22 0.00 H new ATOM 0 HG23 THR A 69 -3.677 5.166 7.419 0.22 0.00 H new ATOM 1085 N VAL A 70 -3.884 2.923 4.981 0.32 0.00 N ATOM 1086 CA VAL A 70 -3.239 1.667 4.616 0.87 0.00 C ATOM 1087 C VAL A 70 -1.794 1.619 5.108 0.12 0.00 C ATOM 1088 O VAL A 70 -1.115 2.644 5.169 1.00 0.00 O ATOM 1089 CB VAL A 70 -3.263 1.450 3.089 1.00 0.00 C ATOM 1090 CG1 VAL A 70 -2.461 2.528 2.378 1.00 0.00 C ATOM 1091 CG2 VAL A 70 -2.745 0.065 2.735 0.10 0.00 C ATOM 0 H VAL A 70 -3.289 3.746 4.888 0.32 0.00 H new ATOM 0 HA VAL A 70 -3.804 0.870 5.099 0.87 0.00 H new ATOM 0 HB VAL A 70 -4.297 1.521 2.751 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -2.492 2.355 1.302 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -2.888 3.506 2.600 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -1.427 2.498 2.721 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -2.770 -0.067 1.653 0.10 0.00 H new ATOM 0 HG22 VAL A 70 -1.720 -0.042 3.090 0.10 0.00 H new ATOM 0 HG23 VAL A 70 -3.373 -0.690 3.208 0.10 0.00 H new ATOM 1101 N ARG A 71 -1.334 0.421 5.463 1.00 0.00 N ATOM 1102 CA ARG A 71 0.029 0.238 5.951 1.00 0.00 C ATOM 1103 C ARG A 71 0.473 -1.215 5.798 1.00 0.00 C ATOM 1104 O ARG A 71 -0.354 -2.114 5.654 1.00 0.00 O ATOM 1105 CB ARG A 71 0.129 0.657 7.418 0.64 0.00 C ATOM 1106 CG ARG A 71 -0.757 -0.158 8.347 0.38 0.00 C ATOM 1107 CD ARG A 71 -0.562 0.248 9.798 0.11 0.00 C ATOM 1108 NE ARG A 71 0.822 0.073 10.233 1.00 0.00 N ATOM 1109 CZ ARG A 71 1.305 0.558 11.373 0.12 0.00 C ATOM 1110 NH1 ARG A 71 0.517 1.236 12.196 0.22 0.00 N ATOM 1111 NH2 ARG A 71 2.576 0.364 11.691 0.07 0.00 N ATOM 0 H ARG A 71 -1.885 -0.436 5.422 1.00 0.00 H new ATOM 0 HA ARG A 71 0.688 0.867 5.353 1.00 0.00 H new ATOM 0 HB2 ARG A 71 1.165 0.564 7.744 0.64 0.00 H new ATOM 0 HB3 ARG A 71 -0.139 1.710 7.505 0.64 0.00 H new ATOM 0 HG2 ARG A 71 -1.802 -0.023 8.067 0.38 0.00 H new ATOM 0 HG3 ARG A 71 -0.531 -1.218 8.231 0.38 0.00 H new ATOM 0 HD2 ARG A 71 -0.853 1.291 9.925 0.11 0.00 H new ATOM 0 HD3 ARG A 71 -1.220 -0.346 10.432 0.11 0.00 H new ATOM 0 HE ARG A 71 1.454 -0.451 9.628 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -0.463 1.387 11.955 0.22 0.00 H new ATOM 0 HH12 ARG A 71 0.890 1.607 13.070 0.22 0.00 H new ATOM 0 HH21 ARG A 71 3.185 -0.158 11.061 0.07 0.00 H new ATOM 0 HH22 ARG A 71 2.945 0.737 12.566 0.07 0.00 H new ATOM 1125 N PHE A 72 1.785 -1.435 5.830 1.00 0.00 N ATOM 1126 CA PHE A 72 2.338 -2.779 5.700 0.26 0.00 C ATOM 1127 C PHE A 72 2.361 -3.488 7.051 0.91 0.00 C ATOM 1128 O PHE A 72 2.895 -2.962 8.028 1.00 0.00 O ATOM 1129 CB PHE A 72 3.756 -2.720 5.123 0.23 0.00 C ATOM 1130 CG PHE A 72 3.803 -2.380 3.659 0.09 0.00 C ATOM 1131 CD1 PHE A 72 3.688 -1.066 3.234 1.00 0.00 C ATOM 1132 CD2 PHE A 72 3.966 -3.376 2.710 0.43 0.00 C ATOM 1133 CE1 PHE A 72 3.736 -0.753 1.889 0.07 0.00 C ATOM 1134 CE2 PHE A 72 4.014 -3.068 1.364 0.12 0.00 C ATOM 1135 CZ PHE A 72 3.899 -1.754 0.953 0.22 0.00 C ATOM 0 H PHE A 72 2.483 -0.701 5.945 1.00 0.00 H new ATOM 0 HA PHE A 72 1.699 -3.342 5.020 0.26 0.00 H new ATOM 0 HB2 PHE A 72 4.333 -1.979 5.677 0.23 0.00 H new ATOM 0 HB3 PHE A 72 4.242 -3.683 5.278 0.23 0.00 H new ATOM 0 HD1 PHE A 72 3.560 -0.278 3.962 1.00 0.00 H new ATOM 0 HD2 PHE A 72 4.057 -4.405 3.026 0.43 0.00 H new ATOM 0 HE1 PHE A 72 3.646 0.275 1.570 0.07 0.00 H new ATOM 0 HE2 PHE A 72 4.141 -3.854 0.634 0.12 0.00 H new ATOM 0 HZ PHE A 72 3.937 -1.511 -0.099 0.22 0.00 H new ATOM 1145 N LEU A 73 1.779 -4.683 7.099 0.11 0.00 N ATOM 1146 CA LEU A 73 1.738 -5.462 8.333 0.35 0.00 C ATOM 1147 C LEU A 73 3.150 -5.777 8.813 0.08 0.00 C ATOM 1148 O LEU A 73 3.411 -5.827 10.016 0.32 0.00 O ATOM 1149 CB LEU A 73 0.957 -6.759 8.120 1.00 0.00 C ATOM 1150 CG LEU A 73 -0.534 -6.582 7.819 0.07 0.00 C ATOM 1151 CD1 LEU A 73 -1.164 -7.913 7.442 0.17 0.00 C ATOM 1152 CD2 LEU A 73 -1.251 -5.971 9.014 0.07 0.00 C ATOM 0 H LEU A 73 1.331 -5.132 6.300 0.11 0.00 H new ATOM 0 HA LEU A 73 1.233 -4.869 9.095 0.35 0.00 H new ATOM 0 HB2 LEU A 73 1.414 -7.308 7.297 1.00 0.00 H new ATOM 0 HB3 LEU A 73 1.060 -7.377 9.012 1.00 0.00 H new ATOM 0 HG LEU A 73 -0.635 -5.902 6.973 0.07 0.00 H new ATOM 0 HD11 LEU A 73 -2.224 -7.767 7.232 0.17 0.00 H new ATOM 0 HD12 LEU A 73 -0.670 -8.312 6.556 0.17 0.00 H new ATOM 0 HD13 LEU A 73 -1.051 -8.616 8.268 0.17 0.00 H new ATOM 0 HD21 LEU A 73 -2.309 -5.853 8.782 0.07 0.00 H new ATOM 0 HD22 LEU A 73 -1.140 -6.626 9.878 0.07 0.00 H new ATOM 0 HD23 LEU A 73 -0.818 -4.996 9.239 0.07 0.00 H new ATOM 1164 N SER A 74 4.056 -5.990 7.864 0.11 0.00 N ATOM 1165 CA SER A 74 5.444 -6.298 8.185 0.09 0.00 C ATOM 1166 C SER A 74 6.284 -5.026 8.234 0.26 0.00 C ATOM 1167 O SER A 74 6.109 -4.124 7.415 0.06 0.00 O ATOM 1168 CB SER A 74 6.024 -7.269 7.156 0.10 0.00 C ATOM 1169 OG SER A 74 7.370 -7.592 7.460 0.17 0.00 O ATOM 0 H SER A 74 3.853 -5.955 6.865 0.11 0.00 H new ATOM 0 HA SER A 74 5.469 -6.767 9.169 0.09 0.00 H new ATOM 0 HB2 SER A 74 5.425 -8.179 7.133 0.10 0.00 H new ATOM 0 HB3 SER A 74 5.969 -6.826 6.162 0.10 0.00 H new ATOM 0 HG SER A 74 7.404 -8.464 7.907 0.17 0.00 H new ATOM 1175 N LYS A 75 7.196 -4.962 9.198 0.75 0.00 N ATOM 1176 CA LYS A 75 8.064 -3.801 9.354 0.24 0.00 C ATOM 1177 C LYS A 75 9.059 -3.709 8.201 0.70 0.00 C ATOM 1178 O LYS A 75 9.933 -4.563 8.054 0.10 0.00 O ATOM 1179 CB LYS A 75 8.812 -3.880 10.685 0.09 0.00 C ATOM 1180 CG LYS A 75 7.896 -4.006 11.893 0.14 0.00 C ATOM 1181 CD LYS A 75 7.087 -2.738 12.120 1.00 0.00 C ATOM 1182 CE LYS A 75 7.972 -1.577 12.548 0.18 0.00 C ATOM 1183 NZ LYS A 75 8.689 -1.865 13.821 1.00 0.00 N ATOM 0 H LYS A 75 7.353 -5.701 9.883 0.75 0.00 H new ATOM 0 HA LYS A 75 7.443 -2.905 9.345 0.24 0.00 H new ATOM 0 HB2 LYS A 75 9.488 -4.735 10.662 0.09 0.00 H new ATOM 0 HB3 LYS A 75 9.429 -2.989 10.799 0.09 0.00 H new ATOM 0 HG2 LYS A 75 7.220 -4.849 11.750 0.14 0.00 H new ATOM 0 HG3 LYS A 75 8.491 -4.222 12.780 0.14 0.00 H new ATOM 0 HD2 LYS A 75 6.558 -2.474 11.204 1.00 0.00 H new ATOM 0 HD3 LYS A 75 6.331 -2.920 12.883 1.00 0.00 H new ATOM 0 HE2 LYS A 75 8.698 -1.365 11.763 0.18 0.00 H new ATOM 0 HE3 LYS A 75 7.363 -0.681 12.669 0.18 0.00 H new ATOM 0 HZ1 LYS A 75 9.044 -0.976 14.228 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 8.036 -2.317 14.493 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 9.488 -2.503 13.633 1.00 0.00 H new ATOM 1197 N MET A 76 8.921 -2.666 7.386 0.73 0.00 N ATOM 1198 CA MET A 76 9.809 -2.465 6.246 0.29 0.00 C ATOM 1199 C MET A 76 10.412 -1.065 6.263 0.35 0.00 C ATOM 1200 O MET A 76 9.921 -0.173 6.956 0.13 0.00 O ATOM 1201 CB MET A 76 9.052 -2.690 4.936 0.70 0.00 C ATOM 1202 CG MET A 76 8.503 -4.097 4.783 0.06 0.00 C ATOM 1203 SD MET A 76 9.783 -5.359 4.930 0.07 0.00 S ATOM 1204 CE MET A 76 8.813 -6.851 4.738 0.09 0.00 C ATOM 0 H MET A 76 8.204 -1.949 7.494 0.73 0.00 H new ATOM 0 HA MET A 76 10.619 -3.190 6.319 0.29 0.00 H new ATOM 0 HB2 MET A 76 8.228 -1.979 4.876 0.70 0.00 H new ATOM 0 HB3 MET A 76 9.718 -2.476 4.100 0.70 0.00 H new ATOM 0 HG2 MET A 76 7.739 -4.270 5.541 0.06 0.00 H new ATOM 0 HG3 MET A 76 8.016 -4.190 3.812 0.06 0.00 H new ATOM 0 HE1 MET A 76 9.048 -7.544 5.546 0.09 0.00 H new ATOM 0 HE2 MET A 76 7.752 -6.602 4.770 0.09 0.00 H new ATOM 0 HE3 MET A 76 9.047 -7.317 3.781 0.09 0.00 H new ATOM 1214 N PHE A 77 11.479 -0.882 5.493 0.33 0.00 N ATOM 1215 CA PHE A 77 12.157 0.405 5.411 0.21 0.00 C ATOM 1216 C PHE A 77 12.046 0.982 4.003 0.05 0.00 C ATOM 1217 O PHE A 77 12.517 0.381 3.037 0.05 0.00 O ATOM 1218 CB PHE A 77 13.628 0.255 5.803 0.35 0.00 C ATOM 1219 CG PHE A 77 14.371 1.560 5.862 0.84 0.00 C ATOM 1220 CD1 PHE A 77 14.271 2.378 6.975 1.00 0.00 C ATOM 1221 CD2 PHE A 77 15.169 1.967 4.805 0.71 0.00 C ATOM 1222 CE1 PHE A 77 14.954 3.579 7.032 0.06 0.00 C ATOM 1223 CE2 PHE A 77 15.854 3.167 4.857 0.33 0.00 C ATOM 1224 CZ PHE A 77 15.745 3.974 5.972 0.46 0.00 C ATOM 0 H PHE A 77 11.894 -1.613 4.915 0.33 0.00 H new ATOM 0 HA PHE A 77 11.675 1.092 6.106 0.21 0.00 H new ATOM 0 HB2 PHE A 77 13.688 -0.232 6.776 0.35 0.00 H new ATOM 0 HB3 PHE A 77 14.121 -0.402 5.087 0.35 0.00 H new ATOM 0 HD1 PHE A 77 13.653 2.075 7.807 1.00 0.00 H new ATOM 0 HD2 PHE A 77 15.257 1.340 3.930 0.71 0.00 H new ATOM 0 HE1 PHE A 77 14.869 4.208 7.906 0.06 0.00 H new ATOM 0 HE2 PHE A 77 16.473 3.473 4.027 0.33 0.00 H new ATOM 0 HZ PHE A 77 16.278 4.913 6.015 0.46 0.00 H new ATOM 1234 N HIS A 78 11.418 2.149 3.893 0.59 0.00 N ATOM 1235 CA HIS A 78 11.243 2.803 2.603 0.61 0.00 C ATOM 1236 C HIS A 78 11.755 4.243 2.649 0.05 0.00 C ATOM 1237 O HIS A 78 11.845 4.838 3.723 0.42 0.00 O ATOM 1238 CB HIS A 78 9.769 2.785 2.196 1.00 0.00 C ATOM 1239 CG HIS A 78 9.191 1.408 2.092 0.94 0.00 C ATOM 1240 ND1 HIS A 78 8.151 0.951 2.871 1.00 0.00 N ATOM 1241 CD2 HIS A 78 9.523 0.379 1.271 0.46 0.00 C ATOM 1242 CE1 HIS A 78 7.890 -0.313 2.508 0.44 0.00 C ATOM 1243 NE2 HIS A 78 8.693 -0.705 1.540 0.07 0.00 N ATOM 0 H HIS A 78 11.022 2.660 4.682 0.59 0.00 H new ATOM 0 HA HIS A 78 11.824 2.254 1.862 0.61 0.00 H new ATOM 0 HB2 HIS A 78 9.193 3.357 2.923 1.00 0.00 H new ATOM 0 HB3 HIS A 78 9.660 3.289 1.236 1.00 0.00 H new ATOM 0 HD2 HIS A 78 10.306 0.399 0.528 0.46 0.00 H new ATOM 0 HE1 HIS A 78 7.122 -0.929 2.951 0.44 0.00 H new ATOM 0 HE2 HIS A 78 8.704 -1.616 1.082 0.07 0.00 H new ATOM 1251 N PRO A 79 12.097 4.824 1.482 0.09 0.00 N ATOM 1252 CA PRO A 79 12.598 6.201 1.406 0.16 0.00 C ATOM 1253 C PRO A 79 11.597 7.208 1.961 0.08 0.00 C ATOM 1254 O PRO A 79 11.961 8.331 2.311 0.37 0.00 O ATOM 1255 CB PRO A 79 12.817 6.434 -0.095 0.40 0.00 C ATOM 1256 CG PRO A 79 12.021 5.373 -0.777 1.00 0.00 C ATOM 1257 CD PRO A 79 12.020 4.195 0.153 0.59 0.00 C ATOM 0 HA PRO A 79 13.502 6.334 2.000 0.16 0.00 H new ATOM 0 HB2 PRO A 79 12.483 7.428 -0.392 0.40 0.00 H new ATOM 0 HB3 PRO A 79 13.873 6.362 -0.355 0.40 0.00 H new ATOM 0 HG2 PRO A 79 11.005 5.714 -0.976 1.00 0.00 H new ATOM 0 HG3 PRO A 79 12.463 5.111 -1.738 1.00 0.00 H new ATOM 0 HD2 PRO A 79 11.117 3.594 0.042 0.59 0.00 H new ATOM 0 HD3 PRO A 79 12.867 3.535 -0.031 0.59 0.00 H new ATOM 1265 N ASN A 80 10.337 6.795 2.040 0.92 0.00 N ATOM 1266 CA ASN A 80 9.279 7.655 2.558 1.00 0.00 C ATOM 1267 C ASN A 80 8.279 6.848 3.381 0.22 0.00 C ATOM 1268 O ASN A 80 7.637 5.929 2.872 0.75 0.00 O ATOM 1269 CB ASN A 80 8.565 8.368 1.407 1.00 0.00 C ATOM 1270 CG ASN A 80 8.310 7.453 0.223 1.00 0.00 C ATOM 1271 OD1 ASN A 80 8.156 6.242 0.378 0.78 0.00 O ATOM 1272 ND2 ASN A 80 8.264 8.032 -0.972 1.00 0.00 N ATOM 0 H ASN A 80 10.023 5.868 1.751 0.92 0.00 H new ATOM 0 HA ASN A 80 9.733 8.403 3.208 1.00 0.00 H new ATOM 0 HB2 ASN A 80 7.616 8.767 1.765 1.00 0.00 H new ATOM 0 HB3 ASN A 80 9.166 9.218 1.082 1.00 0.00 H new ATOM 0 HD21 ASN A 80 8.096 7.469 -1.806 1.00 0.00 H new ATOM 0 HD22 ASN A 80 8.397 9.040 -1.056 1.00 0.00 H new ATOM 1279 N VAL A 81 8.148 7.202 4.656 0.57 0.00 N ATOM 1280 CA VAL A 81 7.228 6.513 5.557 0.09 0.00 C ATOM 1281 C VAL A 81 6.672 7.472 6.607 0.38 0.00 C ATOM 1282 O VAL A 81 7.425 8.183 7.273 0.20 0.00 O ATOM 1283 CB VAL A 81 7.918 5.325 6.266 0.10 0.00 C ATOM 1284 CG1 VAL A 81 7.030 4.753 7.361 0.16 0.00 C ATOM 1285 CG2 VAL A 81 8.285 4.242 5.262 0.20 0.00 C ATOM 0 H VAL A 81 8.669 7.964 5.090 0.57 0.00 H new ATOM 0 HA VAL A 81 6.409 6.132 4.948 0.09 0.00 H new ATOM 0 HB VAL A 81 8.833 5.695 6.728 0.10 0.00 H new ATOM 0 HG11 VAL A 81 7.539 3.919 7.844 0.16 0.00 H new ATOM 0 HG12 VAL A 81 6.820 5.526 8.100 0.16 0.00 H new ATOM 0 HG13 VAL A 81 6.094 4.404 6.925 0.16 0.00 H new ATOM 0 HG21 VAL A 81 8.770 3.415 5.780 0.20 0.00 H new ATOM 0 HG22 VAL A 81 7.382 3.882 4.769 0.20 0.00 H new ATOM 0 HG23 VAL A 81 8.967 4.652 4.517 0.20 0.00 H new ATOM 1295 N TYR A 82 5.350 7.484 6.747 0.70 0.00 N ATOM 1296 CA TYR A 82 4.690 8.352 7.718 0.57 0.00 C ATOM 1297 C TYR A 82 4.917 7.849 9.141 0.23 0.00 C ATOM 1298 O TYR A 82 5.461 6.763 9.347 0.22 0.00 O ATOM 1299 CB TYR A 82 3.191 8.434 7.430 0.10 0.00 C ATOM 1300 CG TYR A 82 2.845 9.287 6.230 0.13 0.00 C ATOM 1301 CD1 TYR A 82 2.994 10.668 6.270 0.36 0.00 C ATOM 1302 CD2 TYR A 82 2.368 8.713 5.057 0.08 0.00 C ATOM 1303 CE1 TYR A 82 2.678 11.452 5.177 1.00 0.00 C ATOM 1304 CE2 TYR A 82 2.050 9.491 3.959 0.12 0.00 C ATOM 1305 CZ TYR A 82 2.207 10.860 4.026 0.14 0.00 C ATOM 1306 OH TYR A 82 1.892 11.637 2.935 0.09 0.00 O ATOM 0 H TYR A 82 4.714 6.903 6.201 0.70 0.00 H new ATOM 0 HA TYR A 82 5.124 9.348 7.628 0.57 0.00 H new ATOM 0 HB2 TYR A 82 2.806 7.427 7.271 0.10 0.00 H new ATOM 0 HB3 TYR A 82 2.683 8.835 8.307 0.10 0.00 H new ATOM 0 HD1 TYR A 82 3.363 11.136 7.170 0.36 0.00 H new ATOM 0 HD2 TYR A 82 2.244 7.642 5.002 0.08 0.00 H new ATOM 0 HE1 TYR A 82 2.800 12.524 5.225 1.00 0.00 H new ATOM 0 HE2 TYR A 82 1.681 9.030 3.055 0.12 0.00 H new ATOM 0 HH TYR A 82 1.575 11.064 2.206 0.09 0.00 H new ATOM 1316 N ALA A 83 4.499 8.647 10.119 0.53 0.00 N ATOM 1317 CA ALA A 83 4.653 8.284 11.523 0.71 0.00 C ATOM 1318 C ALA A 83 3.786 7.082 11.878 0.05 0.00 C ATOM 1319 O ALA A 83 4.090 6.339 12.811 1.00 0.00 O ATOM 1320 CB ALA A 83 4.306 9.467 12.413 0.09 0.00 C ATOM 0 H ALA A 83 4.051 9.550 9.964 0.53 0.00 H new ATOM 0 HA ALA A 83 5.695 8.009 11.690 0.71 0.00 H new ATOM 0 HB1 ALA A 83 4.425 9.183 13.459 0.09 0.00 H new ATOM 0 HB2 ALA A 83 4.970 10.301 12.186 0.09 0.00 H new ATOM 0 HB3 ALA A 83 3.273 9.767 12.234 0.09 0.00 H new ATOM 1326 N ASP A 84 2.705 6.896 11.126 1.00 0.00 N ATOM 1327 CA ASP A 84 1.792 5.783 11.359 0.84 0.00 C ATOM 1328 C ASP A 84 2.148 4.595 10.473 0.29 0.00 C ATOM 1329 O ASP A 84 1.407 3.613 10.406 0.60 0.00 O ATOM 1330 CB ASP A 84 0.349 6.217 11.097 0.83 0.00 C ATOM 1331 CG ASP A 84 -0.080 7.372 11.981 1.00 0.00 C ATOM 1332 OD1 ASP A 84 -0.563 7.113 13.104 0.11 0.00 O ATOM 1333 OD2 ASP A 84 0.070 8.534 11.551 0.27 0.00 O ATOM 0 H ASP A 84 2.440 7.502 10.350 1.00 0.00 H new ATOM 0 HA ASP A 84 1.888 5.477 12.401 0.84 0.00 H new ATOM 0 HB2 ASP A 84 0.244 6.506 10.051 0.83 0.00 H new ATOM 0 HB3 ASP A 84 -0.317 5.370 11.262 0.83 0.00 H new ATOM 1338 N GLY A 85 3.287 4.689 9.795 0.13 0.00 N ATOM 1339 CA GLY A 85 3.724 3.616 8.921 0.34 0.00 C ATOM 1340 C GLY A 85 2.946 3.573 7.621 0.25 0.00 C ATOM 1341 O GLY A 85 3.057 2.616 6.855 0.95 0.00 O ATOM 0 H GLY A 85 3.916 5.491 9.835 0.13 0.00 H new ATOM 0 HA2 GLY A 85 4.785 3.739 8.702 0.34 0.00 H new ATOM 0 HA3 GLY A 85 3.614 2.663 9.438 0.34 0.00 H new ATOM 1345 N SER A 86 2.154 4.612 7.371 1.00 0.00 N ATOM 1346 CA SER A 86 1.356 4.690 6.154 0.18 0.00 C ATOM 1347 C SER A 86 2.248 4.864 4.930 0.54 0.00 C ATOM 1348 O SER A 86 3.449 5.112 5.054 0.36 0.00 O ATOM 1349 CB SER A 86 0.360 5.848 6.243 1.00 0.00 C ATOM 1350 OG SER A 86 -0.432 5.933 5.073 1.00 0.00 O ATOM 0 H SER A 86 2.049 5.411 7.996 1.00 0.00 H new ATOM 0 HA SER A 86 0.805 3.755 6.051 0.18 0.00 H new ATOM 0 HB2 SER A 86 -0.284 5.711 7.112 1.00 0.00 H new ATOM 0 HB3 SER A 86 0.899 6.784 6.389 1.00 0.00 H new ATOM 0 HG SER A 86 -1.061 6.680 5.157 1.00 0.00 H new ATOM 1356 N ILE A 87 1.657 4.731 3.747 0.06 0.00 N ATOM 1357 CA ILE A 87 2.399 4.871 2.501 1.00 0.00 C ATOM 1358 C ILE A 87 2.212 6.262 1.905 0.41 0.00 C ATOM 1359 O ILE A 87 1.097 6.782 1.849 0.09 0.00 O ATOM 1360 CB ILE A 87 1.966 3.814 1.464 0.08 0.00 C ATOM 1361 CG1 ILE A 87 2.235 2.403 1.992 0.40 0.00 C ATOM 1362 CG2 ILE A 87 2.688 4.031 0.143 0.18 0.00 C ATOM 1363 CD1 ILE A 87 1.165 1.886 2.928 0.98 0.00 C ATOM 0 H ILE A 87 0.665 4.526 3.626 0.06 0.00 H new ATOM 0 HA ILE A 87 3.452 4.720 2.741 1.00 0.00 H new ATOM 0 HB ILE A 87 0.895 3.922 1.293 0.08 0.00 H new ATOM 0 HG12 ILE A 87 2.326 1.720 1.147 0.40 0.00 H new ATOM 0 HG13 ILE A 87 3.193 2.396 2.512 0.40 0.00 H new ATOM 0 HG21 ILE A 87 2.369 3.275 -0.575 0.18 0.00 H new ATOM 0 HG22 ILE A 87 2.450 5.022 -0.243 0.18 0.00 H new ATOM 0 HG23 ILE A 87 3.764 3.951 0.299 0.18 0.00 H new ATOM 0 HD11 ILE A 87 1.426 0.881 3.260 0.98 0.00 H new ATOM 0 HD12 ILE A 87 1.089 2.545 3.793 0.98 0.00 H new ATOM 0 HD13 ILE A 87 0.208 1.859 2.407 0.98 0.00 H new ATOM 1375 N CYS A 88 3.313 6.861 1.462 0.09 0.00 N ATOM 1376 CA CYS A 88 3.275 8.191 0.868 0.98 0.00 C ATOM 1377 C CYS A 88 2.916 8.111 -0.613 0.13 0.00 C ATOM 1378 O CYS A 88 3.751 7.758 -1.446 0.18 0.00 O ATOM 1379 CB CYS A 88 4.627 8.887 1.039 0.10 0.00 C ATOM 1380 SG CYS A 88 5.197 8.974 2.752 0.10 0.00 S ATOM 0 H CYS A 88 4.243 6.445 1.504 0.09 0.00 H new ATOM 0 HA CYS A 88 2.508 8.771 1.381 0.98 0.00 H new ATOM 0 HB2 CYS A 88 5.373 8.360 0.445 0.10 0.00 H new ATOM 0 HB3 CYS A 88 4.557 9.898 0.638 0.10 0.00 H new ATOM 0 HG CYS A 88 4.173 9.095 3.544 0.10 0.00 H new ATOM 1386 N LEU A 89 1.667 8.433 -0.928 1.00 0.00 N ATOM 1387 CA LEU A 89 1.194 8.397 -2.307 0.29 0.00 C ATOM 1388 C LEU A 89 0.357 9.631 -2.623 1.00 0.00 C ATOM 1389 O LEU A 89 -0.443 10.078 -1.800 0.51 0.00 O ATOM 1390 CB LEU A 89 0.371 7.128 -2.549 1.00 0.00 C ATOM 1391 CG LEU A 89 0.697 6.368 -3.840 0.12 0.00 C ATOM 1392 CD1 LEU A 89 0.510 7.263 -5.056 0.73 0.00 C ATOM 1393 CD2 LEU A 89 2.117 5.820 -3.791 0.19 0.00 C ATOM 0 H LEU A 89 0.964 8.722 -0.248 1.00 0.00 H new ATOM 0 HA LEU A 89 2.061 8.390 -2.967 0.29 0.00 H new ATOM 0 HB2 LEU A 89 0.517 6.454 -1.704 1.00 0.00 H new ATOM 0 HB3 LEU A 89 -0.685 7.398 -2.563 1.00 0.00 H new ATOM 0 HG LEU A 89 0.006 5.530 -3.927 0.12 0.00 H new ATOM 0 HD11 LEU A 89 0.747 6.702 -5.960 0.73 0.00 H new ATOM 0 HD12 LEU A 89 -0.524 7.604 -5.101 0.73 0.00 H new ATOM 0 HD13 LEU A 89 1.173 8.125 -4.979 0.73 0.00 H new ATOM 0 HD21 LEU A 89 2.332 5.283 -4.715 0.19 0.00 H new ATOM 0 HD22 LEU A 89 2.821 6.644 -3.678 0.19 0.00 H new ATOM 0 HD23 LEU A 89 2.215 5.140 -2.945 0.19 0.00 H new ATOM 1405 N ASP A 90 0.545 10.178 -3.820 0.09 0.00 N ATOM 1406 CA ASP A 90 -0.191 11.363 -4.244 0.36 0.00 C ATOM 1407 C ASP A 90 -1.681 11.065 -4.381 1.00 0.00 C ATOM 1408 O ASP A 90 -2.513 11.969 -4.297 0.28 0.00 O ATOM 1409 CB ASP A 90 0.360 11.884 -5.573 0.05 0.00 C ATOM 1410 CG ASP A 90 1.824 12.270 -5.481 1.00 0.00 C ATOM 1411 OD1 ASP A 90 2.111 13.433 -5.127 0.12 0.00 O ATOM 1412 OD2 ASP A 90 2.684 11.408 -5.762 0.29 0.00 O ATOM 0 H ASP A 90 1.201 9.819 -4.513 0.09 0.00 H new ATOM 0 HA ASP A 90 -0.063 12.128 -3.479 0.36 0.00 H new ATOM 0 HB2 ASP A 90 0.236 11.119 -6.339 0.05 0.00 H new ATOM 0 HB3 ASP A 90 -0.222 12.749 -5.890 0.05 0.00 H new ATOM 1417 N ILE A 91 -2.012 9.795 -4.592 0.05 0.00 N ATOM 1418 CA ILE A 91 -3.404 9.383 -4.743 1.00 0.00 C ATOM 1419 C ILE A 91 -4.179 9.595 -3.446 0.16 0.00 C ATOM 1420 O ILE A 91 -5.389 9.821 -3.466 0.19 0.00 O ATOM 1421 CB ILE A 91 -3.515 7.904 -5.167 1.00 0.00 C ATOM 1422 CG1 ILE A 91 -4.966 7.558 -5.516 1.00 0.00 C ATOM 1423 CG2 ILE A 91 -2.999 6.992 -4.063 0.10 0.00 C ATOM 1424 CD1 ILE A 91 -5.139 6.170 -6.097 0.28 0.00 C ATOM 0 H ILE A 91 -1.337 9.034 -4.662 0.05 0.00 H new ATOM 0 HA ILE A 91 -3.836 10.004 -5.527 1.00 0.00 H new ATOM 0 HB ILE A 91 -2.900 7.750 -6.053 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -5.577 7.645 -4.617 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -5.343 8.290 -6.230 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -3.085 5.953 -4.380 0.10 0.00 H new ATOM 0 HG22 ILE A 91 -1.954 7.224 -3.859 0.10 0.00 H new ATOM 0 HG23 ILE A 91 -3.588 7.146 -3.159 0.10 0.00 H new ATOM 0 HD11 ILE A 91 -6.192 5.997 -6.319 0.28 0.00 H new ATOM 0 HD12 ILE A 91 -4.556 6.084 -7.014 0.28 0.00 H new ATOM 0 HD13 ILE A 91 -4.794 5.428 -5.377 0.28 0.00 H new ATOM 1436 N LEU A 92 -3.474 9.524 -2.322 0.71 0.00 N ATOM 1437 CA LEU A 92 -4.094 9.706 -1.015 0.46 0.00 C ATOM 1438 C LEU A 92 -4.451 11.172 -0.782 0.59 0.00 C ATOM 1439 O LEU A 92 -5.254 11.495 0.094 1.00 0.00 O ATOM 1440 CB LEU A 92 -3.153 9.212 0.087 0.09 0.00 C ATOM 1441 CG LEU A 92 -3.716 9.289 1.507 1.00 0.00 C ATOM 1442 CD1 LEU A 92 -4.919 8.366 1.656 1.00 0.00 C ATOM 1443 CD2 LEU A 92 -2.642 8.934 2.524 0.14 0.00 C ATOM 0 H LEU A 92 -2.471 9.341 -2.290 0.71 0.00 H new ATOM 0 HA LEU A 92 -5.013 9.121 -0.988 0.46 0.00 H new ATOM 0 HB2 LEU A 92 -2.884 8.177 -0.124 0.09 0.00 H new ATOM 0 HB3 LEU A 92 -2.233 9.796 0.046 0.09 0.00 H new ATOM 0 HG LEU A 92 -4.043 10.312 1.693 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -5.306 8.434 2.673 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -5.695 8.664 0.951 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -4.617 7.339 1.451 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -3.059 8.994 3.529 0.14 0.00 H new ATOM 0 HD22 LEU A 92 -2.286 7.921 2.338 0.14 0.00 H new ATOM 0 HD23 LEU A 92 -1.810 9.633 2.434 0.14 0.00 H new ATOM 1455 N GLN A 93 -3.850 12.052 -1.573 0.08 0.00 N ATOM 1456 CA GLN A 93 -4.101 13.485 -1.459 0.09 0.00 C ATOM 1457 C GLN A 93 -5.409 13.867 -2.148 1.00 0.00 C ATOM 1458 O GLN A 93 -6.278 13.020 -2.360 0.65 0.00 O ATOM 1459 CB GLN A 93 -2.937 14.271 -2.068 0.58 0.00 C ATOM 1460 CG GLN A 93 -1.596 13.976 -1.413 0.06 0.00 C ATOM 1461 CD GLN A 93 -1.572 14.341 0.059 1.00 0.00 C ATOM 1462 OE1 GLN A 93 -2.258 15.265 0.493 0.41 0.00 O ATOM 1463 NE2 GLN A 93 -0.777 13.612 0.835 0.55 0.00 N ATOM 0 H GLN A 93 -3.184 11.799 -2.302 0.08 0.00 H new ATOM 0 HA GLN A 93 -4.187 13.734 -0.401 0.09 0.00 H new ATOM 0 HB2 GLN A 93 -2.871 14.041 -3.131 0.58 0.00 H new ATOM 0 HB3 GLN A 93 -3.146 15.337 -1.985 0.58 0.00 H new ATOM 0 HG2 GLN A 93 -1.367 12.916 -1.524 0.06 0.00 H new ATOM 0 HG3 GLN A 93 -0.813 14.528 -1.933 0.06 0.00 H new ATOM 0 HE21 GLN A 93 -0.226 12.855 0.432 0.55 0.00 H new ATOM 0 HE22 GLN A 93 -0.718 13.810 1.834 0.55 0.00 H new ATOM 1472 N ASN A 94 -5.546 15.145 -2.490 0.22 0.00 N ATOM 1473 CA ASN A 94 -6.750 15.640 -3.152 0.56 0.00 C ATOM 1474 C ASN A 94 -6.899 15.031 -4.545 0.45 0.00 C ATOM 1475 O ASN A 94 -7.914 15.229 -5.215 0.06 0.00 O ATOM 1476 CB ASN A 94 -6.709 17.167 -3.251 0.64 0.00 C ATOM 1477 CG ASN A 94 -7.959 17.745 -3.888 0.53 0.00 C ATOM 1478 OD1 ASN A 94 -8.027 17.913 -5.106 0.38 0.00 O ATOM 1479 ND2 ASN A 94 -8.953 18.057 -3.066 1.00 0.00 N ATOM 0 H ASN A 94 -4.837 15.858 -2.319 0.22 0.00 H new ATOM 0 HA ASN A 94 -7.611 15.343 -2.554 0.56 0.00 H new ATOM 0 HB2 ASN A 94 -6.586 17.589 -2.253 0.64 0.00 H new ATOM 0 HB3 ASN A 94 -5.838 17.466 -3.833 0.64 0.00 H new ATOM 0 HD21 ASN A 94 -9.817 18.453 -3.437 1.00 0.00 H new ATOM 0 HD22 ASN A 94 -8.853 17.901 -2.063 1.00 0.00 H new ATOM 1486 N ARG A 95 -5.888 14.282 -4.972 0.99 0.00 N ATOM 1487 CA ARG A 95 -5.907 13.646 -6.285 1.00 0.00 C ATOM 1488 C ARG A 95 -6.885 12.471 -6.307 0.33 0.00 C ATOM 1489 O ARG A 95 -7.227 11.956 -7.371 1.00 0.00 O ATOM 1490 CB ARG A 95 -4.501 13.167 -6.658 0.31 0.00 C ATOM 1491 CG ARG A 95 -4.375 12.658 -8.087 1.00 0.00 C ATOM 1492 CD ARG A 95 -4.470 13.787 -9.103 0.24 0.00 C ATOM 1493 NE ARG A 95 -5.838 14.272 -9.264 0.44 0.00 N ATOM 1494 CZ ARG A 95 -6.200 15.178 -10.169 0.19 0.00 C ATOM 1495 NH1 ARG A 95 -5.298 15.693 -10.993 0.32 0.00 N ATOM 1496 NH2 ARG A 95 -7.464 15.567 -10.251 0.63 0.00 N ATOM 0 H ARG A 95 -5.045 14.100 -4.428 0.99 0.00 H new ATOM 0 HA ARG A 95 -6.239 14.382 -7.017 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -3.799 13.988 -6.513 0.31 0.00 H new ATOM 0 HB3 ARG A 95 -4.207 12.372 -5.973 0.31 0.00 H new ATOM 0 HG2 ARG A 95 -3.422 12.142 -8.206 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -5.160 11.927 -8.282 1.00 0.00 H new ATOM 0 HD2 ARG A 95 -3.829 14.611 -8.789 0.24 0.00 H new ATOM 0 HD3 ARG A 95 -4.094 13.440 -10.065 0.24 0.00 H new ATOM 0 HE ARG A 95 -6.557 13.895 -8.647 0.44 0.00 H new ATOM 0 HH11 ARG A 95 -4.324 15.395 -10.934 0.32 0.00 H new ATOM 0 HH12 ARG A 95 -5.578 16.387 -11.686 0.32 0.00 H new ATOM 0 HH21 ARG A 95 -8.161 15.172 -9.620 0.63 0.00 H new ATOM 0 HH22 ARG A 95 -7.740 16.262 -10.945 0.63 0.00 H new ATOM 1510 N TRP A 96 -7.336 12.058 -5.125 0.07 0.00 N ATOM 1511 CA TRP A 96 -8.274 10.946 -5.007 0.41 0.00 C ATOM 1512 C TRP A 96 -9.635 11.313 -5.595 0.19 0.00 C ATOM 1513 O TRP A 96 -10.075 12.459 -5.499 0.95 0.00 O ATOM 1514 CB TRP A 96 -8.428 10.537 -3.538 0.59 0.00 C ATOM 1515 CG TRP A 96 -9.480 9.493 -3.309 1.00 0.00 C ATOM 1516 CD1 TRP A 96 -10.637 9.642 -2.599 1.00 0.00 C ATOM 1517 CD2 TRP A 96 -9.475 8.144 -3.791 0.15 0.00 C ATOM 1518 NE1 TRP A 96 -11.349 8.466 -2.607 0.05 0.00 N ATOM 1519 CE2 TRP A 96 -10.658 7.533 -3.333 0.40 0.00 C ATOM 1520 CE3 TRP A 96 -8.585 7.394 -4.565 0.40 0.00 C ATOM 1521 CZ2 TRP A 96 -10.972 6.208 -3.626 0.22 0.00 C ATOM 1522 CZ3 TRP A 96 -8.898 6.080 -4.854 1.00 0.00 C ATOM 1523 CH2 TRP A 96 -10.082 5.497 -4.385 0.13 0.00 C ATOM 0 H TRP A 96 -7.066 12.477 -4.235 0.07 0.00 H new ATOM 0 HA TRP A 96 -7.874 10.104 -5.571 0.41 0.00 H new ATOM 0 HB2 TRP A 96 -7.472 10.163 -3.172 0.59 0.00 H new ATOM 0 HB3 TRP A 96 -8.671 11.421 -2.948 0.59 0.00 H new ATOM 0 HD1 TRP A 96 -10.947 10.550 -2.104 1.00 0.00 H new ATOM 0 HE1 TRP A 96 -12.246 8.313 -2.147 0.05 0.00 H new ATOM 0 HE3 TRP A 96 -7.669 7.834 -4.931 0.40 0.00 H new ATOM 0 HZ2 TRP A 96 -11.886 5.757 -3.267 0.22 0.00 H new ATOM 0 HZ3 TRP A 96 -8.218 5.492 -5.452 1.00 0.00 H new ATOM 0 HH2 TRP A 96 -10.297 4.467 -4.627 0.13 0.00 H new ATOM 1534 N SER A 97 -10.292 10.330 -6.203 0.22 0.00 N ATOM 1535 CA SER A 97 -11.603 10.541 -6.809 1.00 0.00 C ATOM 1536 C SER A 97 -12.559 9.408 -6.440 0.07 0.00 C ATOM 1537 O SER A 97 -12.134 8.264 -6.269 0.18 0.00 O ATOM 1538 CB SER A 97 -11.471 10.636 -8.330 1.00 0.00 C ATOM 1539 OG SER A 97 -10.644 11.725 -8.703 0.78 0.00 O ATOM 0 H SER A 97 -9.937 9.378 -6.289 0.22 0.00 H new ATOM 0 HA SER A 97 -12.010 11.477 -6.426 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.054 9.708 -8.721 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.458 10.755 -8.777 1.00 0.00 H new ATOM 0 HG SER A 97 -10.574 11.763 -9.680 0.78 0.00 H new ATOM 1545 N PRO A 98 -13.867 9.705 -6.312 0.08 0.00 N ATOM 1546 CA PRO A 98 -14.877 8.701 -5.958 0.12 0.00 C ATOM 1547 C PRO A 98 -15.096 7.677 -7.067 0.73 0.00 C ATOM 1548 O PRO A 98 -15.839 6.711 -6.894 0.49 0.00 O ATOM 1549 CB PRO A 98 -16.158 9.521 -5.737 0.11 0.00 C ATOM 1550 CG PRO A 98 -15.717 10.944 -5.663 0.31 0.00 C ATOM 1551 CD PRO A 98 -14.470 11.035 -6.491 0.29 0.00 C ATOM 0 HA PRO A 98 -14.572 8.123 -5.086 0.12 0.00 H new ATOM 0 HB2 PRO A 98 -16.864 9.372 -6.554 0.11 0.00 H new ATOM 0 HB3 PRO A 98 -16.663 9.219 -4.819 0.11 0.00 H new ATOM 0 HG2 PRO A 98 -16.489 11.612 -6.046 0.31 0.00 H new ATOM 0 HG3 PRO A 98 -15.523 11.239 -4.632 0.31 0.00 H new ATOM 0 HD2 PRO A 98 -14.693 11.241 -7.538 0.29 0.00 H new ATOM 0 HD3 PRO A 98 -13.810 11.829 -6.143 0.29 0.00 H new ATOM 1559 N THR A 99 -14.445 7.892 -8.206 0.17 0.00 N ATOM 1560 CA THR A 99 -14.577 6.985 -9.342 0.19 0.00 C ATOM 1561 C THR A 99 -13.721 5.736 -9.160 1.00 0.00 C ATOM 1562 O THR A 99 -14.172 4.621 -9.422 1.00 0.00 O ATOM 1563 CB THR A 99 -14.185 7.677 -10.660 0.14 0.00 C ATOM 1564 OG1 THR A 99 -12.824 8.120 -10.597 0.17 0.00 O ATOM 1565 CG2 THR A 99 -15.096 8.863 -10.941 1.00 0.00 C ATOM 0 H THR A 99 -13.822 8.684 -8.367 0.17 0.00 H new ATOM 0 HA THR A 99 -15.626 6.693 -9.390 0.19 0.00 H new ATOM 0 HB THR A 99 -14.294 6.955 -11.469 0.14 0.00 H new ATOM 0 HG1 THR A 99 -12.583 8.557 -11.440 0.17 0.00 H new ATOM 0 HG21 THR A 99 -14.799 9.336 -11.877 1.00 0.00 H new ATOM 0 HG22 THR A 99 -16.127 8.519 -11.019 1.00 0.00 H new ATOM 0 HG23 THR A 99 -15.015 9.585 -10.128 1.00 0.00 H new ATOM 1573 N TYR A 100 -12.484 5.929 -8.711 0.29 0.00 N ATOM 1574 CA TYR A 100 -11.566 4.815 -8.494 0.29 0.00 C ATOM 1575 C TYR A 100 -12.135 3.826 -7.481 1.00 0.00 C ATOM 1576 O TYR A 100 -13.114 4.119 -6.795 1.00 0.00 O ATOM 1577 CB TYR A 100 -10.209 5.329 -8.013 0.29 0.00 C ATOM 1578 CG TYR A 100 -9.494 6.196 -9.024 1.00 0.00 C ATOM 1579 CD1 TYR A 100 -8.795 5.631 -10.082 0.88 0.00 C ATOM 1580 CD2 TYR A 100 -9.519 7.581 -8.917 0.93 0.00 C ATOM 1581 CE1 TYR A 100 -8.139 6.423 -11.008 0.10 0.00 C ATOM 1582 CE2 TYR A 100 -8.868 8.379 -9.839 0.30 0.00 C ATOM 1583 CZ TYR A 100 -8.179 7.795 -10.881 1.00 0.00 C ATOM 1584 OH TYR A 100 -7.528 8.586 -11.798 0.59 0.00 O ATOM 0 H TYR A 100 -12.094 6.846 -8.490 0.29 0.00 H new ATOM 0 HA TYR A 100 -11.435 4.298 -9.445 0.29 0.00 H new ATOM 0 HB2 TYR A 100 -10.351 5.899 -7.095 0.29 0.00 H new ATOM 0 HB3 TYR A 100 -9.575 4.478 -7.765 0.29 0.00 H new ATOM 0 HD1 TYR A 100 -8.763 4.556 -10.184 0.88 0.00 H new ATOM 0 HD2 TYR A 100 -10.056 8.041 -8.101 0.93 0.00 H new ATOM 0 HE1 TYR A 100 -7.599 5.969 -11.825 0.10 0.00 H new ATOM 0 HE2 TYR A 100 -8.899 9.454 -9.744 0.30 0.00 H new ATOM 0 HH TYR A 100 -7.656 9.529 -11.565 0.59 0.00 H new ATOM 1594 N ASP A 101 -11.514 2.653 -7.394 0.15 0.00 N ATOM 1595 CA ASP A 101 -11.962 1.621 -6.468 0.07 0.00 C ATOM 1596 C ASP A 101 -10.780 0.978 -5.744 0.06 0.00 C ATOM 1597 O ASP A 101 -9.644 1.440 -5.852 0.91 0.00 O ATOM 1598 CB ASP A 101 -12.766 0.555 -7.212 0.09 0.00 C ATOM 1599 CG ASP A 101 -11.966 -0.117 -8.309 0.29 0.00 C ATOM 1600 OD1 ASP A 101 -11.603 0.570 -9.287 0.84 0.00 O ATOM 1601 OD2 ASP A 101 -11.705 -1.333 -8.194 0.07 0.00 O ATOM 0 H ASP A 101 -10.701 2.395 -7.953 0.15 0.00 H new ATOM 0 HA ASP A 101 -12.601 2.093 -5.722 0.07 0.00 H new ATOM 0 HB2 ASP A 101 -13.107 -0.199 -6.502 0.09 0.00 H new ATOM 0 HB3 ASP A 101 -13.656 1.012 -7.644 0.09 0.00 H new ATOM 1606 N VAL A 102 -11.064 -0.092 -5.006 1.00 0.00 N ATOM 1607 CA VAL A 102 -10.039 -0.808 -4.252 0.50 0.00 C ATOM 1608 C VAL A 102 -8.922 -1.319 -5.164 1.00 0.00 C ATOM 1609 O VAL A 102 -7.793 -1.529 -4.719 0.12 0.00 O ATOM 1610 CB VAL A 102 -10.656 -1.993 -3.476 1.00 0.00 C ATOM 1611 CG1 VAL A 102 -9.576 -2.849 -2.830 0.17 0.00 C ATOM 1612 CG2 VAL A 102 -11.636 -1.487 -2.430 1.00 0.00 C ATOM 0 H VAL A 102 -12.001 -0.484 -4.914 1.00 0.00 H new ATOM 0 HA VAL A 102 -9.608 -0.100 -3.544 0.50 0.00 H new ATOM 0 HB VAL A 102 -11.196 -2.619 -4.186 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -10.040 -3.675 -2.291 0.17 0.00 H new ATOM 0 HG12 VAL A 102 -8.915 -3.245 -3.601 0.17 0.00 H new ATOM 0 HG13 VAL A 102 -8.998 -2.241 -2.134 0.17 0.00 H new ATOM 0 HG21 VAL A 102 -12.063 -2.333 -1.891 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -11.115 -0.836 -1.728 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -12.434 -0.929 -2.919 1.00 0.00 H new ATOM 1622 N SER A 103 -9.239 -1.513 -6.438 0.30 0.00 N ATOM 1623 CA SER A 103 -8.255 -2.002 -7.400 0.09 0.00 C ATOM 1624 C SER A 103 -7.199 -0.942 -7.696 0.36 0.00 C ATOM 1625 O SER A 103 -6.038 -1.264 -7.952 0.30 0.00 O ATOM 1626 CB SER A 103 -8.945 -2.420 -8.700 0.54 0.00 C ATOM 1627 OG SER A 103 -9.864 -3.475 -8.474 0.18 0.00 O ATOM 0 H SER A 103 -10.165 -1.341 -6.829 0.30 0.00 H new ATOM 0 HA SER A 103 -7.760 -2.868 -6.959 0.09 0.00 H new ATOM 0 HB2 SER A 103 -9.467 -1.565 -9.129 0.54 0.00 H new ATOM 0 HB3 SER A 103 -8.197 -2.735 -9.427 0.54 0.00 H new ATOM 0 HG SER A 103 -10.755 -3.103 -8.310 0.18 0.00 H new ATOM 1633 N SER A 104 -7.606 0.322 -7.657 0.14 0.00 N ATOM 1634 CA SER A 104 -6.697 1.430 -7.932 1.00 0.00 C ATOM 1635 C SER A 104 -5.720 1.655 -6.780 0.97 0.00 C ATOM 1636 O SER A 104 -4.516 1.802 -7.000 0.60 0.00 O ATOM 1637 CB SER A 104 -7.493 2.710 -8.198 0.18 0.00 C ATOM 1638 OG SER A 104 -6.630 3.799 -8.475 1.00 0.00 O ATOM 0 H SER A 104 -8.561 0.606 -7.437 0.14 0.00 H new ATOM 0 HA SER A 104 -6.117 1.172 -8.818 1.00 0.00 H new ATOM 0 HB2 SER A 104 -8.168 2.554 -9.039 0.18 0.00 H new ATOM 0 HB3 SER A 104 -8.112 2.944 -7.332 0.18 0.00 H new ATOM 0 HG SER A 104 -7.119 4.484 -8.977 1.00 0.00 H new ATOM 1644 N ILE A 105 -6.239 1.680 -5.556 0.15 0.00 N ATOM 1645 CA ILE A 105 -5.403 1.899 -4.378 1.00 0.00 C ATOM 1646 C ILE A 105 -4.317 0.830 -4.263 1.00 0.00 C ATOM 1647 O ILE A 105 -3.194 1.119 -3.851 0.15 0.00 O ATOM 1648 CB ILE A 105 -6.253 1.940 -3.083 0.27 0.00 C ATOM 1649 CG1 ILE A 105 -5.414 2.429 -1.890 0.10 0.00 C ATOM 1650 CG2 ILE A 105 -6.878 0.578 -2.798 0.10 0.00 C ATOM 1651 CD1 ILE A 105 -4.643 1.341 -1.166 1.00 0.00 C ATOM 0 H ILE A 105 -7.230 1.552 -5.353 0.15 0.00 H new ATOM 0 HA ILE A 105 -4.920 2.868 -4.501 1.00 0.00 H new ATOM 0 HB ILE A 105 -7.064 2.653 -3.233 0.27 0.00 H new ATOM 0 HG12 ILE A 105 -4.708 3.181 -2.244 0.10 0.00 H new ATOM 0 HG13 ILE A 105 -6.075 2.922 -1.177 0.10 0.00 H new ATOM 0 HG21 ILE A 105 -7.469 0.633 -1.884 0.10 0.00 H new ATOM 0 HG22 ILE A 105 -7.521 0.292 -3.630 0.10 0.00 H new ATOM 0 HG23 ILE A 105 -6.090 -0.165 -2.676 0.10 0.00 H new ATOM 0 HD11 ILE A 105 -4.082 1.780 -0.341 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -5.340 0.599 -0.776 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -3.953 0.861 -1.860 1.00 0.00 H new ATOM 1663 N LEU A 106 -4.651 -0.402 -4.642 0.24 0.00 N ATOM 1664 CA LEU A 106 -3.696 -1.506 -4.578 1.00 0.00 C ATOM 1665 C LEU A 106 -2.554 -1.303 -5.571 1.00 0.00 C ATOM 1666 O LEU A 106 -1.383 -1.447 -5.219 0.21 0.00 O ATOM 1667 CB LEU A 106 -4.393 -2.842 -4.857 1.00 0.00 C ATOM 1668 CG LEU A 106 -5.271 -3.375 -3.721 0.11 0.00 C ATOM 1669 CD1 LEU A 106 -5.891 -4.708 -4.113 0.14 0.00 C ATOM 1670 CD2 LEU A 106 -4.462 -3.521 -2.439 0.14 0.00 C ATOM 0 H LEU A 106 -5.572 -0.660 -4.995 0.24 0.00 H new ATOM 0 HA LEU A 106 -3.281 -1.525 -3.570 1.00 0.00 H new ATOM 0 HB2 LEU A 106 -5.010 -2.731 -5.749 1.00 0.00 H new ATOM 0 HB3 LEU A 106 -3.632 -3.588 -5.086 1.00 0.00 H new ATOM 0 HG LEU A 106 -6.072 -2.658 -3.540 0.11 0.00 H new ATOM 0 HD11 LEU A 106 -6.512 -5.075 -3.296 0.14 0.00 H new ATOM 0 HD12 LEU A 106 -6.504 -4.576 -5.004 0.14 0.00 H new ATOM 0 HD13 LEU A 106 -5.101 -5.430 -4.320 0.14 0.00 H new ATOM 0 HD21 LEU A 106 -5.104 -3.901 -1.645 0.14 0.00 H new ATOM 0 HD22 LEU A 106 -3.640 -4.217 -2.605 0.14 0.00 H new ATOM 0 HD23 LEU A 106 -4.062 -2.550 -2.149 0.14 0.00 H new ATOM 1682 N THR A 107 -2.902 -0.971 -6.810 0.18 0.00 N ATOM 1683 CA THR A 107 -1.906 -0.756 -7.853 1.00 0.00 C ATOM 1684 C THR A 107 -1.047 0.472 -7.560 0.49 0.00 C ATOM 1685 O THR A 107 0.107 0.544 -7.981 1.00 0.00 O ATOM 1686 CB THR A 107 -2.562 -0.592 -9.237 0.08 0.00 C ATOM 1687 OG1 THR A 107 -3.463 0.522 -9.223 1.00 0.00 O ATOM 1688 CG2 THR A 107 -3.311 -1.854 -9.634 1.00 0.00 C ATOM 0 H THR A 107 -3.867 -0.845 -7.116 0.18 0.00 H new ATOM 0 HA THR A 107 -1.272 -1.642 -7.863 1.00 0.00 H new ATOM 0 HB THR A 107 -1.775 -0.412 -9.969 0.08 0.00 H new ATOM 0 HG1 THR A 107 -3.656 0.775 -8.296 1.00 0.00 H new ATOM 0 HG21 THR A 107 -3.766 -1.714 -10.615 1.00 0.00 H new ATOM 0 HG22 THR A 107 -2.616 -2.693 -9.673 1.00 0.00 H new ATOM 0 HG23 THR A 107 -4.089 -2.061 -8.900 1.00 0.00 H new ATOM 1696 N SER A 108 -1.617 1.432 -6.839 1.00 0.00 N ATOM 1697 CA SER A 108 -0.897 2.654 -6.494 1.00 0.00 C ATOM 1698 C SER A 108 0.319 2.345 -5.628 0.17 0.00 C ATOM 1699 O SER A 108 1.423 2.818 -5.899 0.60 0.00 O ATOM 1700 CB SER A 108 -1.822 3.629 -5.762 0.08 0.00 C ATOM 1701 OG SER A 108 -2.907 4.020 -6.588 0.92 0.00 O ATOM 0 H SER A 108 -2.572 1.389 -6.483 1.00 0.00 H new ATOM 0 HA SER A 108 -0.554 3.115 -7.420 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.202 3.162 -4.853 0.08 0.00 H new ATOM 0 HB3 SER A 108 -1.258 4.510 -5.456 0.08 0.00 H new ATOM 0 HG SER A 108 -3.490 3.249 -6.749 0.92 0.00 H new ATOM 1707 N ILE A 109 0.110 1.546 -4.587 0.31 0.00 N ATOM 1708 CA ILE A 109 1.189 1.169 -3.680 0.39 0.00 C ATOM 1709 C ILE A 109 2.210 0.285 -4.388 1.00 0.00 C ATOM 1710 O ILE A 109 3.415 0.413 -4.169 0.69 0.00 O ATOM 1711 CB ILE A 109 0.649 0.428 -2.443 1.00 0.00 C ATOM 1712 CG1 ILE A 109 -0.415 1.275 -1.740 1.00 0.00 C ATOM 1713 CG2 ILE A 109 1.788 0.092 -1.488 0.23 0.00 C ATOM 1714 CD1 ILE A 109 -1.127 0.550 -0.618 0.16 0.00 C ATOM 0 H ILE A 109 -0.798 1.146 -4.350 0.31 0.00 H new ATOM 0 HA ILE A 109 1.672 2.091 -3.356 0.39 0.00 H new ATOM 0 HB ILE A 109 0.187 -0.505 -2.767 1.00 0.00 H new ATOM 0 HG12 ILE A 109 0.055 2.173 -1.340 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -1.151 1.601 -2.475 1.00 0.00 H new ATOM 0 HG21 ILE A 109 1.391 -0.432 -0.618 0.23 0.00 H new ATOM 0 HG22 ILE A 109 2.512 -0.545 -1.996 0.23 0.00 H new ATOM 0 HG23 ILE A 109 2.276 1.012 -1.166 0.23 0.00 H new ATOM 0 HD11 ILE A 109 -1.866 1.213 -0.168 0.16 0.00 H new ATOM 0 HD12 ILE A 109 -1.627 -0.334 -1.015 0.16 0.00 H new ATOM 0 HD13 ILE A 109 -0.402 0.248 0.138 0.16 0.00 H new ATOM 1726 N GLN A 110 1.721 -0.612 -5.236 0.31 0.00 N ATOM 1727 CA GLN A 110 2.590 -1.516 -5.980 0.94 0.00 C ATOM 1728 C GLN A 110 3.504 -0.728 -6.912 0.05 0.00 C ATOM 1729 O GLN A 110 4.636 -1.131 -7.180 0.14 0.00 O ATOM 1730 CB GLN A 110 1.754 -2.512 -6.788 1.00 0.00 C ATOM 1731 CG GLN A 110 2.586 -3.521 -7.561 0.33 0.00 C ATOM 1732 CD GLN A 110 1.735 -4.480 -8.368 1.00 0.00 C ATOM 1733 OE1 GLN A 110 0.605 -4.793 -7.991 0.46 0.00 O ATOM 1734 NE2 GLN A 110 2.274 -4.954 -9.485 0.62 0.00 N ATOM 0 H GLN A 110 0.726 -0.733 -5.426 0.31 0.00 H new ATOM 0 HA GLN A 110 3.205 -2.067 -5.268 0.94 0.00 H new ATOM 0 HB2 GLN A 110 1.087 -3.046 -6.111 1.00 0.00 H new ATOM 0 HB3 GLN A 110 1.124 -1.962 -7.487 1.00 0.00 H new ATOM 0 HG2 GLN A 110 3.264 -2.991 -8.230 0.33 0.00 H new ATOM 0 HG3 GLN A 110 3.204 -4.087 -6.864 0.33 0.00 H new ATOM 0 HE21 GLN A 110 3.214 -4.668 -9.759 0.62 0.00 H new ATOM 0 HE22 GLN A 110 1.748 -5.605 -10.069 0.62 0.00 H new ATOM 1743 N SER A 111 2.997 0.398 -7.400 0.06 0.00 N ATOM 1744 CA SER A 111 3.755 1.256 -8.299 1.00 0.00 C ATOM 1745 C SER A 111 4.929 1.904 -7.571 1.00 0.00 C ATOM 1746 O SER A 111 5.955 2.213 -8.177 0.80 0.00 O ATOM 1747 CB SER A 111 2.847 2.332 -8.896 0.59 0.00 C ATOM 1748 OG SER A 111 3.570 3.189 -9.762 0.28 0.00 O ATOM 0 H SER A 111 2.059 0.738 -7.186 0.06 0.00 H new ATOM 0 HA SER A 111 4.150 0.639 -9.106 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.031 1.860 -9.444 0.59 0.00 H new ATOM 0 HB3 SER A 111 2.396 2.917 -8.094 0.59 0.00 H new ATOM 0 HG SER A 111 2.966 3.867 -10.131 0.28 0.00 H new ATOM 1754 N LEU A 112 4.767 2.108 -6.265 0.09 0.00 N ATOM 1755 CA LEU A 112 5.806 2.727 -5.449 1.00 0.00 C ATOM 1756 C LEU A 112 7.102 1.931 -5.535 0.83 0.00 C ATOM 1757 O LEU A 112 8.192 2.469 -5.330 1.00 0.00 O ATOM 1758 CB LEU A 112 5.347 2.824 -3.992 0.13 0.00 C ATOM 1759 CG LEU A 112 6.253 3.649 -3.077 1.00 0.00 C ATOM 1760 CD1 LEU A 112 6.201 5.118 -3.463 1.00 0.00 C ATOM 1761 CD2 LEU A 112 5.850 3.466 -1.621 0.86 0.00 C ATOM 0 H LEU A 112 3.924 1.853 -5.750 0.09 0.00 H new ATOM 0 HA LEU A 112 5.989 3.731 -5.831 1.00 0.00 H new ATOM 0 HB2 LEU A 112 4.346 3.256 -3.971 0.13 0.00 H new ATOM 0 HB3 LEU A 112 5.268 1.816 -3.585 0.13 0.00 H new ATOM 0 HG LEU A 112 7.277 3.296 -3.197 1.00 0.00 H new ATOM 0 HD11 LEU A 112 6.851 5.691 -2.802 1.00 0.00 H new ATOM 0 HD12 LEU A 112 6.536 5.236 -4.493 1.00 0.00 H new ATOM 0 HD13 LEU A 112 5.178 5.482 -3.371 1.00 0.00 H new ATOM 0 HD21 LEU A 112 6.506 4.060 -0.985 0.86 0.00 H new ATOM 0 HD22 LEU A 112 4.819 3.792 -1.485 0.86 0.00 H new ATOM 0 HD23 LEU A 112 5.937 2.414 -1.349 0.86 0.00 H new ATOM 1773 N LEU A 113 6.973 0.646 -5.839 0.64 0.00 N ATOM 1774 CA LEU A 113 8.127 -0.235 -5.958 0.77 0.00 C ATOM 1775 C LEU A 113 8.819 -0.028 -7.296 0.21 0.00 C ATOM 1776 O LEU A 113 10.048 0.022 -7.374 0.09 0.00 O ATOM 1777 CB LEU A 113 7.693 -1.695 -5.838 0.72 0.00 C ATOM 1778 CG LEU A 113 6.538 -1.950 -4.872 0.13 0.00 C ATOM 1779 CD1 LEU A 113 6.153 -3.419 -4.891 0.65 0.00 C ATOM 1780 CD2 LEU A 113 6.911 -1.508 -3.467 1.00 0.00 C ATOM 0 H LEU A 113 6.077 0.189 -6.008 0.64 0.00 H new ATOM 0 HA LEU A 113 8.822 0.005 -5.153 0.77 0.00 H new ATOM 0 HB2 LEU A 113 7.406 -2.055 -6.826 0.72 0.00 H new ATOM 0 HB3 LEU A 113 8.550 -2.288 -5.519 0.72 0.00 H new ATOM 0 HG LEU A 113 5.677 -1.364 -5.194 0.13 0.00 H new ATOM 0 HD11 LEU A 113 5.329 -3.588 -4.198 0.65 0.00 H new ATOM 0 HD12 LEU A 113 5.845 -3.701 -5.898 0.65 0.00 H new ATOM 0 HD13 LEU A 113 7.009 -4.023 -4.591 0.65 0.00 H new ATOM 0 HD21 LEU A 113 6.076 -1.697 -2.792 1.00 0.00 H new ATOM 0 HD22 LEU A 113 7.784 -2.067 -3.130 1.00 0.00 H new ATOM 0 HD23 LEU A 113 7.141 -0.443 -3.470 1.00 0.00 H new ATOM 1792 N ASP A 114 8.017 0.093 -8.346 0.18 0.00 N ATOM 1793 CA ASP A 114 8.541 0.285 -9.687 0.49 0.00 C ATOM 1794 C ASP A 114 9.310 1.598 -9.790 0.19 0.00 C ATOM 1795 O ASP A 114 10.394 1.651 -10.370 1.00 0.00 O ATOM 1796 CB ASP A 114 7.403 0.261 -10.710 0.57 0.00 C ATOM 1797 CG ASP A 114 7.903 0.375 -12.136 1.00 0.00 C ATOM 1798 OD1 ASP A 114 8.071 1.514 -12.618 0.08 0.00 O ATOM 1799 OD2 ASP A 114 8.126 -0.677 -12.773 1.00 0.00 O ATOM 0 H ASP A 114 6.999 0.061 -8.292 0.18 0.00 H new ATOM 0 HA ASP A 114 9.229 -0.533 -9.902 0.49 0.00 H new ATOM 0 HB2 ASP A 114 6.838 -0.665 -10.599 0.57 0.00 H new ATOM 0 HB3 ASP A 114 6.715 1.081 -10.503 0.57 0.00 H new ATOM 1804 N GLU A 115 8.740 2.658 -9.222 0.15 0.00 N ATOM 1805 CA GLU A 115 9.369 3.973 -9.250 0.21 0.00 C ATOM 1806 C GLU A 115 8.811 4.872 -8.142 0.07 0.00 C ATOM 1807 O GLU A 115 7.634 5.236 -8.166 1.00 0.00 O ATOM 1808 CB GLU A 115 9.159 4.631 -10.616 0.24 0.00 C ATOM 1809 CG GLU A 115 7.710 4.641 -11.075 0.18 0.00 C ATOM 1810 CD GLU A 115 7.532 5.318 -12.421 0.11 0.00 C ATOM 1811 OE1 GLU A 115 7.430 6.563 -12.451 0.15 0.00 O ATOM 1812 OE2 GLU A 115 7.493 4.604 -13.444 0.18 0.00 O ATOM 0 H GLU A 115 7.843 2.630 -8.737 0.15 0.00 H new ATOM 0 HA GLU A 115 10.437 3.842 -9.078 0.21 0.00 H new ATOM 0 HB2 GLU A 115 9.525 5.657 -10.575 0.24 0.00 H new ATOM 0 HB3 GLU A 115 9.762 4.107 -11.358 0.24 0.00 H new ATOM 0 HG2 GLU A 115 7.345 3.616 -11.136 0.18 0.00 H new ATOM 0 HG3 GLU A 115 7.100 5.153 -10.331 0.18 0.00 H new ATOM 1886 N PRO A 121 9.615 13.704 -0.170 1.00 0.00 N ATOM 1887 CA PRO A 121 10.139 12.673 0.724 0.37 0.00 C ATOM 1888 C PRO A 121 9.641 12.836 2.159 0.11 0.00 C ATOM 1889 O PRO A 121 9.645 13.939 2.706 0.56 0.00 O ATOM 1890 CB PRO A 121 11.646 12.900 0.653 0.57 0.00 C ATOM 1891 CG PRO A 121 11.791 14.367 0.429 1.00 0.00 C ATOM 1892 CD PRO A 121 10.588 14.799 -0.374 0.06 0.00 C ATOM 0 HA PRO A 121 9.823 11.672 0.431 0.37 0.00 H new ATOM 0 HB2 PRO A 121 12.138 12.588 1.574 0.57 0.00 H new ATOM 0 HB3 PRO A 121 12.096 12.328 -0.158 0.57 0.00 H new ATOM 0 HG2 PRO A 121 11.836 14.902 1.378 1.00 0.00 H new ATOM 0 HG3 PRO A 121 12.714 14.588 -0.106 1.00 0.00 H new ATOM 0 HD2 PRO A 121 10.195 15.753 -0.024 0.06 0.00 H new ATOM 0 HD3 PRO A 121 10.835 14.924 -1.428 0.06 0.00 H new ATOM 1900 N ALA A 122 9.214 11.730 2.761 0.38 0.00 N ATOM 1901 CA ALA A 122 8.716 11.749 4.132 0.08 0.00 C ATOM 1902 C ALA A 122 9.847 11.519 5.125 1.00 0.00 C ATOM 1903 O ALA A 122 9.772 11.942 6.278 0.55 0.00 O ATOM 1904 CB ALA A 122 7.629 10.701 4.315 0.20 0.00 C ATOM 0 H ALA A 122 9.203 10.810 2.321 0.38 0.00 H new ATOM 0 HA ALA A 122 8.290 12.733 4.325 0.08 0.00 H new ATOM 0 HB1 ALA A 122 7.267 10.727 5.343 0.20 0.00 H new ATOM 0 HB2 ALA A 122 6.804 10.910 3.635 0.20 0.00 H new ATOM 0 HB3 ALA A 122 8.036 9.713 4.099 0.20 0.00 H new ATOM 1910 N ASN A 123 10.898 10.844 4.668 0.32 0.00 N ATOM 1911 CA ASN A 123 12.051 10.557 5.513 0.05 0.00 C ATOM 1912 C ASN A 123 13.319 11.153 4.910 0.45 0.00 C ATOM 1913 O ASN A 123 13.811 10.682 3.885 0.15 0.00 O ATOM 1914 CB ASN A 123 12.215 9.046 5.692 0.60 0.00 C ATOM 1915 CG ASN A 123 13.192 8.694 6.798 0.10 0.00 C ATOM 1916 OD1 ASN A 123 14.118 9.449 7.091 1.00 0.00 O ATOM 1917 ND2 ASN A 123 12.988 7.538 7.419 0.65 0.00 N ATOM 0 H ASN A 123 10.974 10.486 3.716 0.32 0.00 H new ATOM 0 HA ASN A 123 11.883 11.012 6.489 0.05 0.00 H new ATOM 0 HB2 ASN A 123 11.244 8.602 5.914 0.60 0.00 H new ATOM 0 HB3 ASN A 123 12.559 8.608 4.755 0.60 0.00 H new ATOM 0 HD21 ASN A 123 13.612 7.246 8.171 0.65 0.00 H new ATOM 0 HD22 ASN A 123 12.207 6.942 7.144 0.65 0.00 H new ATOM 1924 N SER A 124 13.839 12.194 5.550 0.98 0.00 N ATOM 1925 CA SER A 124 15.049 12.858 5.076 1.00 0.00 C ATOM 1926 C SER A 124 16.269 11.954 5.233 0.92 0.00 C ATOM 1927 O SER A 124 17.190 11.997 4.419 0.21 0.00 O ATOM 1928 CB SER A 124 15.269 14.166 5.836 0.24 0.00 C ATOM 1929 OG SER A 124 15.422 13.930 7.225 0.86 0.00 O ATOM 0 H SER A 124 13.442 12.597 6.399 0.98 0.00 H new ATOM 0 HA SER A 124 14.918 13.077 4.016 1.00 0.00 H new ATOM 0 HB2 SER A 124 16.155 14.670 5.450 0.24 0.00 H new ATOM 0 HB3 SER A 124 14.424 14.834 5.668 0.24 0.00 H new ATOM 0 HG SER A 124 15.563 14.782 7.688 0.86 0.00 H new ATOM 1935 N GLN A 125 16.265 11.133 6.279 0.06 0.00 N ATOM 1936 CA GLN A 125 17.375 10.224 6.540 0.49 0.00 C ATOM 1937 C GLN A 125 17.421 9.106 5.504 0.09 0.00 C ATOM 1938 O GLN A 125 18.477 8.813 4.944 0.09 0.00 O ATOM 1939 CB GLN A 125 17.257 9.630 7.947 0.11 0.00 C ATOM 1940 CG GLN A 125 18.478 8.830 8.373 0.07 0.00 C ATOM 1941 CD GLN A 125 19.731 9.680 8.449 0.07 0.00 C ATOM 1942 OE1 GLN A 125 19.667 10.878 8.723 0.08 0.00 O ATOM 1943 NE2 GLN A 125 20.882 9.062 8.208 0.41 0.00 N ATOM 0 H GLN A 125 15.506 11.079 6.959 0.06 0.00 H new ATOM 0 HA GLN A 125 18.301 10.794 6.471 0.49 0.00 H new ATOM 0 HB2 GLN A 125 17.094 10.437 8.661 0.11 0.00 H new ATOM 0 HB3 GLN A 125 16.378 8.986 7.988 0.11 0.00 H new ATOM 0 HG2 GLN A 125 18.290 8.377 9.347 0.07 0.00 H new ATOM 0 HG3 GLN A 125 18.638 8.014 7.668 0.07 0.00 H new ATOM 0 HE21 GLN A 125 20.889 8.067 7.984 0.41 0.00 H new ATOM 0 HE22 GLN A 125 21.758 9.583 8.247 0.41 0.00 H new ATOM 1952 N ALA A 126 16.270 8.489 5.252 0.32 0.00 N ATOM 1953 CA ALA A 126 16.180 7.401 4.284 1.00 0.00 C ATOM 1954 C ALA A 126 16.670 7.843 2.907 0.15 0.00 C ATOM 1955 O ALA A 126 17.543 7.208 2.317 0.13 0.00 O ATOM 1956 CB ALA A 126 14.749 6.892 4.198 0.68 0.00 C ATOM 0 H ALA A 126 15.387 8.724 5.705 0.32 0.00 H new ATOM 0 HA ALA A 126 16.825 6.591 4.625 1.00 0.00 H new ATOM 0 HB1 ALA A 126 14.695 6.080 3.472 0.68 0.00 H new ATOM 0 HB2 ALA A 126 14.433 6.527 5.175 0.68 0.00 H new ATOM 0 HB3 ALA A 126 14.092 7.704 3.884 0.68 0.00 H new ATOM 1962 N ALA A 127 16.100 8.932 2.403 0.14 0.00 N ATOM 1963 CA ALA A 127 16.477 9.460 1.095 0.16 0.00 C ATOM 1964 C ALA A 127 17.950 9.856 1.067 0.05 0.00 C ATOM 1965 O ALA A 127 18.615 9.735 0.038 1.00 0.00 O ATOM 1966 CB ALA A 127 15.599 10.649 0.736 1.00 0.00 C ATOM 0 H ALA A 127 15.375 9.467 2.880 0.14 0.00 H new ATOM 0 HA ALA A 127 16.327 8.675 0.354 0.16 0.00 H new ATOM 0 HB1 ALA A 127 15.890 11.034 -0.241 1.00 0.00 H new ATOM 0 HB2 ALA A 127 14.556 10.335 0.707 1.00 0.00 H new ATOM 0 HB3 ALA A 127 15.722 11.431 1.485 1.00 0.00 H new ATOM 1972 N GLN A 128 18.452 10.331 2.202 0.65 0.00 N ATOM 1973 CA GLN A 128 19.847 10.749 2.311 0.05 0.00 C ATOM 1974 C GLN A 128 20.791 9.599 1.975 0.10 0.00 C ATOM 1975 O GLN A 128 21.693 9.747 1.152 0.10 0.00 O ATOM 1976 CB GLN A 128 20.138 11.265 3.722 0.19 0.00 C ATOM 1977 CG GLN A 128 21.502 11.924 3.860 0.31 0.00 C ATOM 1978 CD GLN A 128 21.762 12.438 5.262 0.19 0.00 C ATOM 1979 OE1 GLN A 128 21.282 11.872 6.244 0.07 0.00 O ATOM 1980 NE2 GLN A 128 22.523 13.523 5.362 0.63 0.00 N ATOM 0 H GLN A 128 17.913 10.437 3.062 0.65 0.00 H new ATOM 0 HA GLN A 128 20.014 11.553 1.594 0.05 0.00 H new ATOM 0 HB2 GLN A 128 19.367 11.982 4.004 0.19 0.00 H new ATOM 0 HB3 GLN A 128 20.072 10.434 4.424 0.19 0.00 H new ATOM 0 HG2 GLN A 128 22.277 11.206 3.591 0.31 0.00 H new ATOM 0 HG3 GLN A 128 21.575 12.752 3.154 0.31 0.00 H new ATOM 0 HE21 GLN A 128 22.901 13.960 4.521 0.63 0.00 H new ATOM 0 HE22 GLN A 128 22.730 13.918 6.279 0.63 0.00 H new ATOM 1989 N LEU A 129 20.578 8.454 2.616 0.12 0.00 N ATOM 1990 CA LEU A 129 21.416 7.280 2.384 0.33 0.00 C ATOM 1991 C LEU A 129 21.322 6.817 0.935 0.11 0.00 C ATOM 1992 O LEU A 129 22.261 6.228 0.401 0.32 0.00 O ATOM 1993 CB LEU A 129 21.011 6.137 3.322 0.59 0.00 C ATOM 1994 CG LEU A 129 21.624 6.188 4.727 0.51 0.00 C ATOM 1995 CD1 LEU A 129 23.143 6.115 4.654 0.37 0.00 C ATOM 1996 CD2 LEU A 129 21.183 7.446 5.461 1.00 0.00 C ATOM 0 H LEU A 129 19.834 8.313 3.299 0.12 0.00 H new ATOM 0 HA LEU A 129 22.448 7.562 2.591 0.33 0.00 H new ATOM 0 HB2 LEU A 129 19.925 6.136 3.418 0.59 0.00 H new ATOM 0 HB3 LEU A 129 21.290 5.192 2.857 0.59 0.00 H new ATOM 0 HG LEU A 129 21.266 5.323 5.286 0.51 0.00 H new ATOM 0 HD11 LEU A 129 23.558 6.153 5.661 0.37 0.00 H new ATOM 0 HD12 LEU A 129 23.440 5.182 4.174 0.37 0.00 H new ATOM 0 HD13 LEU A 129 23.520 6.958 4.074 0.37 0.00 H new ATOM 0 HD21 LEU A 129 21.629 7.462 6.455 1.00 0.00 H new ATOM 0 HD22 LEU A 129 21.507 8.325 4.904 1.00 0.00 H new ATOM 0 HD23 LEU A 129 20.097 7.453 5.550 1.00 0.00 H new ATOM 2008 N TYR A 130 20.185 7.086 0.304 0.33 0.00 N ATOM 2009 CA TYR A 130 19.971 6.692 -1.083 1.00 0.00 C ATOM 2010 C TYR A 130 20.867 7.490 -2.026 1.00 0.00 C ATOM 2011 O TYR A 130 21.261 6.998 -3.084 0.06 0.00 O ATOM 2012 CB TYR A 130 18.503 6.886 -1.471 0.32 0.00 C ATOM 2013 CG TYR A 130 18.192 6.479 -2.894 1.00 0.00 C ATOM 2014 CD1 TYR A 130 18.086 5.139 -3.247 1.00 0.00 C ATOM 2015 CD2 TYR A 130 18.008 7.436 -3.884 0.29 0.00 C ATOM 2016 CE1 TYR A 130 17.804 4.766 -4.548 0.61 0.00 C ATOM 2017 CE2 TYR A 130 17.726 7.070 -5.185 1.00 0.00 C ATOM 2018 CZ TYR A 130 17.624 5.734 -5.514 0.39 0.00 C ATOM 2019 OH TYR A 130 17.342 5.367 -6.809 0.17 0.00 O ATOM 0 H TYR A 130 19.398 7.575 0.730 0.33 0.00 H new ATOM 0 HA TYR A 130 20.229 5.637 -1.175 1.00 0.00 H new ATOM 0 HB2 TYR A 130 17.877 6.307 -0.792 0.32 0.00 H new ATOM 0 HB3 TYR A 130 18.236 7.934 -1.335 0.32 0.00 H new ATOM 0 HD1 TYR A 130 18.226 4.378 -2.494 1.00 0.00 H new ATOM 0 HD2 TYR A 130 18.087 8.483 -3.632 0.29 0.00 H new ATOM 0 HE1 TYR A 130 17.725 3.721 -4.807 0.61 0.00 H new ATOM 0 HE2 TYR A 130 17.586 7.827 -5.943 1.00 0.00 H new ATOM 0 HH TYR A 130 17.244 6.170 -7.362 0.17 0.00 H new ATOM 2029 N GLN A 131 21.186 8.722 -1.639 1.00 0.00 N ATOM 2030 CA GLN A 131 22.032 9.582 -2.460 0.07 0.00 C ATOM 2031 C GLN A 131 23.451 9.670 -1.901 1.00 0.00 C ATOM 2032 O GLN A 131 24.355 10.181 -2.562 1.00 0.00 O ATOM 2033 CB GLN A 131 21.422 10.981 -2.571 0.36 0.00 C ATOM 2034 CG GLN A 131 21.211 11.667 -1.230 1.00 0.00 C ATOM 2035 CD GLN A 131 20.591 13.046 -1.370 1.00 0.00 C ATOM 2036 OE1 GLN A 131 20.874 13.719 -2.480 0.07 0.00 O flip ATOM 2037 NE2 GLN A 131 19.864 13.503 -0.487 0.66 0.00 N flip ATOM 0 H GLN A 131 20.873 9.146 -0.766 1.00 0.00 H new ATOM 0 HA GLN A 131 22.089 9.138 -3.454 0.07 0.00 H new ATOM 0 HB2 GLN A 131 22.071 11.602 -3.188 0.36 0.00 H new ATOM 0 HB3 GLN A 131 20.464 10.910 -3.087 0.36 0.00 H new ATOM 0 HG2 GLN A 131 20.569 11.046 -0.606 1.00 0.00 H new ATOM 0 HG3 GLN A 131 22.168 11.754 -0.716 1.00 0.00 H new ATOM 0 HE21 GLN A 131 19.672 12.953 0.350 0.66 0.00 H new ATOM 0 HE22 GLN A 131 19.454 14.431 -0.593 0.66 0.00 H new ATOM 2046 N GLU A 132 23.640 9.172 -0.682 0.12 0.00 N ATOM 2047 CA GLU A 132 24.951 9.196 -0.041 1.00 0.00 C ATOM 2048 C GLU A 132 25.658 7.855 -0.199 1.00 0.00 C ATOM 2049 O GLU A 132 26.542 7.701 -1.042 0.33 0.00 O ATOM 2050 CB GLU A 132 24.816 9.541 1.443 0.62 0.00 C ATOM 2051 CG GLU A 132 24.445 10.991 1.705 0.32 0.00 C ATOM 2052 CD GLU A 132 25.522 11.960 1.258 0.19 0.00 C ATOM 2053 OE1 GLU A 132 26.428 12.256 2.067 1.00 0.00 O ATOM 2054 OE2 GLU A 132 25.462 12.424 0.101 0.15 0.00 O ATOM 0 H GLU A 132 22.903 8.748 -0.119 0.12 0.00 H new ATOM 0 HA GLU A 132 25.550 9.964 -0.530 1.00 0.00 H new ATOM 0 HB2 GLU A 132 24.059 8.896 1.889 0.62 0.00 H new ATOM 0 HB3 GLU A 132 25.758 9.321 1.945 0.62 0.00 H new ATOM 0 HG2 GLU A 132 23.515 11.223 1.186 0.32 0.00 H new ATOM 0 HG3 GLU A 132 24.259 11.127 2.770 0.32 0.00 H new ATOM 2061 N ASN A 133 25.261 6.886 0.622 0.09 0.00 N ATOM 2062 CA ASN A 133 25.855 5.554 0.579 0.69 0.00 C ATOM 2063 C ASN A 133 24.869 4.532 0.026 1.00 0.00 C ATOM 2064 O ASN A 133 23.947 4.104 0.721 0.61 0.00 O ATOM 2065 CB ASN A 133 26.309 5.133 1.977 0.62 0.00 C ATOM 2066 CG ASN A 133 27.510 5.922 2.459 0.06 0.00 C ATOM 2067 OD1 ASN A 133 27.691 7.085 2.095 1.00 0.00 O ATOM 2068 ND2 ASN A 133 28.338 5.293 3.285 0.16 0.00 N ATOM 0 H ASN A 133 24.530 6.999 1.325 0.09 0.00 H new ATOM 0 HA ASN A 133 26.719 5.592 -0.084 0.69 0.00 H new ATOM 0 HB2 ASN A 133 25.485 5.266 2.678 0.62 0.00 H new ATOM 0 HB3 ASN A 133 26.554 4.071 1.971 0.62 0.00 H new ATOM 0 HD21 ASN A 133 29.163 5.774 3.644 0.16 0.00 H new ATOM 0 HD22 ASN A 133 28.149 4.329 3.560 0.16 0.00 H new ATOM 2075 N LYS A 134 25.066 4.143 -1.230 0.69 0.00 N ATOM 2076 CA LYS A 134 24.193 3.170 -1.875 0.05 0.00 C ATOM 2077 C LYS A 134 24.420 1.776 -1.298 0.14 0.00 C ATOM 2078 O LYS A 134 23.556 0.903 -1.396 1.00 0.00 O ATOM 2079 CB LYS A 134 24.429 3.158 -3.387 1.00 0.00 C ATOM 2080 CG LYS A 134 24.213 4.512 -4.048 1.00 0.00 C ATOM 2081 CD LYS A 134 24.514 4.461 -5.537 0.53 0.00 C ATOM 2082 CE LYS A 134 24.306 5.815 -6.196 0.13 0.00 C ATOM 2083 NZ LYS A 134 22.905 6.297 -6.048 1.00 0.00 N ATOM 0 H LYS A 134 25.823 4.487 -1.821 0.69 0.00 H new ATOM 0 HA LYS A 134 23.160 3.461 -1.683 0.05 0.00 H new ATOM 0 HB2 LYS A 134 25.448 2.825 -3.585 1.00 0.00 H new ATOM 0 HB3 LYS A 134 23.761 2.429 -3.845 1.00 0.00 H new ATOM 0 HG2 LYS A 134 23.182 4.832 -3.895 1.00 0.00 H new ATOM 0 HG3 LYS A 134 24.852 5.256 -3.572 1.00 0.00 H new ATOM 0 HD2 LYS A 134 25.543 4.135 -5.690 0.53 0.00 H new ATOM 0 HD3 LYS A 134 23.871 3.721 -6.014 0.53 0.00 H new ATOM 0 HE2 LYS A 134 24.988 6.542 -5.755 0.13 0.00 H new ATOM 0 HE3 LYS A 134 24.556 5.745 -7.255 0.13 0.00 H new ATOM 0 HZ1 LYS A 134 22.745 7.102 -6.687 1.00 0.00 H new ATOM 0 HZ2 LYS A 134 22.246 5.529 -6.288 1.00 0.00 H new ATOM 0 HZ3 LYS A 134 22.743 6.598 -5.066 1.00 0.00 H new ATOM 2097 N ARG A 135 25.590 1.576 -0.698 0.06 0.00 N ATOM 2098 CA ARG A 135 25.940 0.290 -0.102 0.30 0.00 C ATOM 2099 C ARG A 135 25.123 0.034 1.163 0.18 0.00 C ATOM 2100 O ARG A 135 24.705 -1.095 1.423 0.28 0.00 O ATOM 2101 CB ARG A 135 27.433 0.247 0.223 0.35 0.00 C ATOM 2102 CG ARG A 135 27.899 -1.085 0.789 0.94 0.00 C ATOM 2103 CD ARG A 135 29.364 -1.032 1.195 0.36 0.00 C ATOM 2104 NE ARG A 135 29.609 -0.011 2.211 1.00 0.00 N ATOM 2105 CZ ARG A 135 30.775 0.155 2.827 0.77 0.00 C ATOM 2106 NH1 ARG A 135 31.806 -0.624 2.531 0.14 0.00 N ATOM 2107 NH2 ARG A 135 30.909 1.104 3.744 1.00 0.00 N ATOM 0 H ARG A 135 26.313 2.290 -0.611 0.06 0.00 H new ATOM 0 HA ARG A 135 25.709 -0.493 -0.825 0.30 0.00 H new ATOM 0 HB2 ARG A 135 27.999 0.464 -0.683 0.35 0.00 H new ATOM 0 HB3 ARG A 135 27.662 1.036 0.939 0.35 0.00 H new ATOM 0 HG2 ARG A 135 27.289 -1.348 1.653 0.94 0.00 H new ATOM 0 HG3 ARG A 135 27.754 -1.869 0.046 0.94 0.00 H new ATOM 0 HD2 ARG A 135 29.671 -2.006 1.577 0.36 0.00 H new ATOM 0 HD3 ARG A 135 29.977 -0.826 0.318 0.36 0.00 H new ATOM 0 HE ARG A 135 28.840 0.611 2.462 1.00 0.00 H new ATOM 0 HH11 ARG A 135 31.707 -1.356 1.827 0.14 0.00 H new ATOM 0 HH12 ARG A 135 32.698 -0.492 3.007 0.14 0.00 H new ATOM 0 HH21 ARG A 135 30.118 1.705 3.975 1.00 0.00 H new ATOM 0 HH22 ARG A 135 31.803 1.233 4.218 1.00 0.00 H new ATOM 2121 N GLU A 136 24.902 1.084 1.945 1.00 0.00 N ATOM 2122 CA GLU A 136 24.133 0.966 3.181 0.17 0.00 C ATOM 2123 C GLU A 136 22.649 0.792 2.881 0.15 0.00 C ATOM 2124 O GLU A 136 21.912 0.190 3.663 1.00 0.00 O ATOM 2125 CB GLU A 136 24.348 2.198 4.062 0.60 0.00 C ATOM 2126 CG GLU A 136 25.792 2.396 4.492 0.19 0.00 C ATOM 2127 CD GLU A 136 25.954 3.525 5.491 1.00 0.00 C ATOM 2128 OE1 GLU A 136 26.108 4.686 5.055 0.32 0.00 O ATOM 2129 OE2 GLU A 136 25.928 3.248 6.709 0.80 0.00 O ATOM 0 H GLU A 136 25.243 2.025 1.747 1.00 0.00 H new ATOM 0 HA GLU A 136 24.484 0.083 3.715 0.17 0.00 H new ATOM 0 HB2 GLU A 136 24.014 3.083 3.521 0.60 0.00 H new ATOM 0 HB3 GLU A 136 23.722 2.113 4.950 0.60 0.00 H new ATOM 0 HG2 GLU A 136 26.166 1.471 4.931 0.19 0.00 H new ATOM 0 HG3 GLU A 136 26.404 2.603 3.614 0.19 0.00 H new ATOM 2136 N TYR A 137 22.217 1.324 1.741 0.56 0.00 N ATOM 2137 CA TYR A 137 20.819 1.234 1.333 0.15 0.00 C ATOM 2138 C TYR A 137 20.476 -0.171 0.844 0.65 0.00 C ATOM 2139 O TYR A 137 19.486 -0.761 1.278 0.11 0.00 O ATOM 2140 CB TYR A 137 20.528 2.257 0.229 0.42 0.00 C ATOM 2141 CG TYR A 137 19.095 2.245 -0.249 1.00 0.00 C ATOM 2142 CD1 TYR A 137 18.104 2.924 0.450 0.27 0.00 C ATOM 2143 CD2 TYR A 137 18.731 1.556 -1.399 0.08 0.00 C ATOM 2144 CE1 TYR A 137 16.792 2.916 0.014 0.80 0.00 C ATOM 2145 CE2 TYR A 137 17.423 1.544 -1.841 0.30 0.00 C ATOM 2146 CZ TYR A 137 16.457 2.225 -1.130 0.27 0.00 C ATOM 2147 OH TYR A 137 15.152 2.212 -1.568 0.14 0.00 O ATOM 0 H TYR A 137 22.816 1.822 1.083 0.56 0.00 H new ATOM 0 HA TYR A 137 20.198 1.452 2.202 0.15 0.00 H new ATOM 0 HB2 TYR A 137 20.770 3.254 0.597 0.42 0.00 H new ATOM 0 HB3 TYR A 137 21.186 2.061 -0.618 0.42 0.00 H new ATOM 0 HD1 TYR A 137 18.363 3.466 1.347 0.27 0.00 H new ATOM 0 HD2 TYR A 137 19.484 1.020 -1.957 0.08 0.00 H new ATOM 0 HE1 TYR A 137 16.033 3.449 0.568 0.80 0.00 H new ATOM 0 HE2 TYR A 137 17.158 1.005 -2.738 0.30 0.00 H new ATOM 0 HH TYR A 137 15.088 1.680 -2.389 0.14 0.00 H new ATOM 2157 N GLU A 138 21.294 -0.701 -0.061 1.00 0.00 N ATOM 2158 CA GLU A 138 21.069 -2.034 -0.611 1.00 0.00 C ATOM 2159 C GLU A 138 21.039 -3.089 0.491 0.07 0.00 C ATOM 2160 O GLU A 138 20.255 -4.036 0.435 0.12 0.00 O ATOM 2161 CB GLU A 138 22.150 -2.378 -1.639 0.94 0.00 C ATOM 2162 CG GLU A 138 23.563 -2.304 -1.085 1.00 0.00 C ATOM 2163 CD GLU A 138 24.616 -2.598 -2.134 0.92 0.00 C ATOM 2164 OE1 GLU A 138 25.065 -1.648 -2.808 0.10 0.00 O ATOM 2165 OE2 GLU A 138 24.993 -3.781 -2.280 1.00 0.00 O ATOM 0 H GLU A 138 22.119 -0.227 -0.429 1.00 0.00 H new ATOM 0 HA GLU A 138 20.097 -2.031 -1.105 1.00 0.00 H new ATOM 0 HB2 GLU A 138 21.970 -3.383 -2.020 0.94 0.00 H new ATOM 0 HB3 GLU A 138 22.065 -1.697 -2.485 0.94 0.00 H new ATOM 0 HG2 GLU A 138 23.735 -1.311 -0.671 1.00 0.00 H new ATOM 0 HG3 GLU A 138 23.665 -3.014 -0.264 1.00 0.00 H new ATOM 2172 N LYS A 139 21.900 -2.921 1.492 0.12 0.00 N ATOM 2173 CA LYS A 139 21.967 -3.860 2.605 0.67 0.00 C ATOM 2174 C LYS A 139 20.662 -3.860 3.396 0.08 0.00 C ATOM 2175 O LYS A 139 20.275 -4.874 3.976 1.00 0.00 O ATOM 2176 CB LYS A 139 23.139 -3.511 3.526 0.69 0.00 C ATOM 2177 CG LYS A 139 24.503 -3.785 2.911 1.00 0.00 C ATOM 2178 CD LYS A 139 24.724 -5.270 2.677 0.11 0.00 C ATOM 2179 CE LYS A 139 26.105 -5.546 2.101 0.12 0.00 C ATOM 2180 NZ LYS A 139 26.323 -6.997 1.850 1.00 0.00 N ATOM 0 H LYS A 139 22.559 -2.145 1.554 0.12 0.00 H new ATOM 0 HA LYS A 139 22.122 -4.859 2.197 0.67 0.00 H new ATOM 0 HB2 LYS A 139 23.077 -2.456 3.795 0.69 0.00 H new ATOM 0 HB3 LYS A 139 23.046 -4.082 4.450 0.69 0.00 H new ATOM 0 HG2 LYS A 139 24.590 -3.250 1.965 1.00 0.00 H new ATOM 0 HG3 LYS A 139 25.283 -3.400 3.568 1.00 0.00 H new ATOM 0 HD2 LYS A 139 24.607 -5.809 3.617 0.11 0.00 H new ATOM 0 HD3 LYS A 139 23.962 -5.649 1.996 0.11 0.00 H new ATOM 0 HE2 LYS A 139 26.226 -4.994 1.169 0.12 0.00 H new ATOM 0 HE3 LYS A 139 26.866 -5.179 2.790 0.12 0.00 H new ATOM 0 HZ1 LYS A 139 27.275 -7.142 1.458 1.00 0.00 H new ATOM 0 HZ2 LYS A 139 26.233 -7.521 2.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 139 25.613 -7.343 1.173 1.00 0.00 H new ATOM 2194 N ARG A 140 19.989 -2.713 3.417 1.00 0.00 N ATOM 2195 CA ARG A 140 18.725 -2.580 4.132 1.00 0.00 C ATOM 2196 C ARG A 140 17.588 -3.239 3.361 1.00 0.00 C ATOM 2197 O ARG A 140 16.635 -3.746 3.954 1.00 0.00 O ATOM 2198 CB ARG A 140 18.403 -1.103 4.373 0.48 0.00 C ATOM 2199 CG ARG A 140 19.284 -0.447 5.425 0.66 0.00 C ATOM 2200 CD ARG A 140 19.009 -1.003 6.814 0.07 0.00 C ATOM 2201 NE ARG A 140 19.779 -0.311 7.844 0.06 0.00 N ATOM 2202 CZ ARG A 140 19.743 -0.631 9.135 0.34 0.00 C ATOM 2203 NH1 ARG A 140 18.983 -1.636 9.550 0.54 0.00 N ATOM 2204 NH2 ARG A 140 20.468 0.051 10.011 0.21 0.00 N ATOM 0 H ARG A 140 20.299 -1.862 2.947 1.00 0.00 H new ATOM 0 HA ARG A 140 18.828 -3.085 5.092 1.00 0.00 H new ATOM 0 HB2 ARG A 140 18.508 -0.560 3.434 0.48 0.00 H new ATOM 0 HB3 ARG A 140 17.360 -1.013 4.678 0.48 0.00 H new ATOM 0 HG2 ARG A 140 20.332 -0.604 5.171 0.66 0.00 H new ATOM 0 HG3 ARG A 140 19.113 0.630 5.423 0.66 0.00 H new ATOM 0 HD2 ARG A 140 17.945 -0.914 7.036 0.07 0.00 H new ATOM 0 HD3 ARG A 140 19.251 -2.066 6.833 0.07 0.00 H new ATOM 0 HE ARG A 140 20.379 0.462 7.557 0.06 0.00 H new ATOM 0 HH11 ARG A 140 18.425 -2.164 8.879 0.54 0.00 H new ATOM 0 HH12 ARG A 140 18.956 -1.880 10.540 0.54 0.00 H new ATOM 0 HH21 ARG A 140 21.055 0.823 9.696 0.21 0.00 H new ATOM 0 HH22 ARG A 140 20.438 -0.196 11.000 0.21 0.00 H new ATOM 2218 N VAL A 141 17.696 -3.231 2.036 0.40 0.00 N ATOM 2219 CA VAL A 141 16.676 -3.828 1.179 0.71 0.00 C ATOM 2220 C VAL A 141 16.494 -5.312 1.487 1.00 0.00 C ATOM 2221 O VAL A 141 15.379 -5.774 1.727 0.18 0.00 O ATOM 2222 CB VAL A 141 17.028 -3.667 -0.313 0.16 0.00 C ATOM 2223 CG1 VAL A 141 15.958 -4.303 -1.188 0.15 0.00 C ATOM 2224 CG2 VAL A 141 17.205 -2.198 -0.666 1.00 0.00 C ATOM 0 H VAL A 141 18.480 -2.817 1.532 0.40 0.00 H new ATOM 0 HA VAL A 141 15.745 -3.299 1.385 0.71 0.00 H new ATOM 0 HB VAL A 141 17.972 -4.180 -0.499 0.16 0.00 H new ATOM 0 HG11 VAL A 141 16.225 -4.179 -2.237 0.15 0.00 H new ATOM 0 HG12 VAL A 141 15.883 -5.365 -0.956 0.15 0.00 H new ATOM 0 HG13 VAL A 141 14.999 -3.821 -0.998 0.15 0.00 H new ATOM 0 HG21 VAL A 141 17.453 -2.105 -1.723 1.00 0.00 H new ATOM 0 HG22 VAL A 141 16.279 -1.661 -0.462 1.00 0.00 H new ATOM 0 HG23 VAL A 141 18.010 -1.774 -0.066 1.00 0.00 H new ATOM 2234 N SER A 142 17.596 -6.055 1.470 0.67 0.00 N ATOM 2235 CA SER A 142 17.555 -7.485 1.747 0.05 0.00 C ATOM 2236 C SER A 142 17.277 -7.747 3.224 0.63 0.00 C ATOM 2237 O SER A 142 16.676 -8.758 3.581 0.56 0.00 O ATOM 2238 CB SER A 142 18.874 -8.144 1.338 0.26 0.00 C ATOM 2239 OG SER A 142 19.131 -7.958 -0.042 0.31 0.00 O ATOM 0 H SER A 142 18.527 -5.690 1.268 0.67 0.00 H new ATOM 0 HA SER A 142 16.744 -7.919 1.162 0.05 0.00 H new ATOM 0 HB2 SER A 142 19.691 -7.723 1.923 0.26 0.00 H new ATOM 0 HB3 SER A 142 18.837 -9.210 1.564 0.26 0.00 H new ATOM 0 HG SER A 142 19.980 -8.387 -0.277 0.31 0.00 H new ATOM 2245 N ALA A 143 17.718 -6.829 4.077 0.21 0.00 N ATOM 2246 CA ALA A 143 17.526 -6.967 5.516 0.24 0.00 C ATOM 2247 C ALA A 143 16.046 -6.979 5.892 1.00 0.00 C ATOM 2248 O ALA A 143 15.611 -7.800 6.699 0.05 0.00 O ATOM 2249 CB ALA A 143 18.245 -5.844 6.250 1.00 0.00 C ATOM 0 H ALA A 143 18.211 -5.981 3.797 0.21 0.00 H new ATOM 0 HA ALA A 143 17.950 -7.925 5.816 0.24 0.00 H new ATOM 0 HB1 ALA A 143 18.095 -5.957 7.324 1.00 0.00 H new ATOM 0 HB2 ALA A 143 19.311 -5.887 6.026 1.00 0.00 H new ATOM 0 HB3 ALA A 143 17.845 -4.883 5.927 1.00 0.00 H new ATOM 2255 N ILE A 144 15.277 -6.068 5.303 1.00 0.00 N ATOM 2256 CA ILE A 144 13.850 -5.971 5.591 1.00 0.00 C ATOM 2257 C ILE A 144 13.059 -7.107 4.944 0.09 0.00 C ATOM 2258 O ILE A 144 12.089 -7.602 5.519 0.81 0.00 O ATOM 2259 CB ILE A 144 13.271 -4.622 5.116 0.81 0.00 C ATOM 2260 CG1 ILE A 144 13.491 -4.442 3.610 1.00 0.00 C ATOM 2261 CG2 ILE A 144 13.901 -3.475 5.892 0.80 0.00 C ATOM 2262 CD1 ILE A 144 12.782 -3.235 3.030 0.36 0.00 C ATOM 0 H ILE A 144 15.618 -5.387 4.624 1.00 0.00 H new ATOM 0 HA ILE A 144 13.751 -6.046 6.674 1.00 0.00 H new ATOM 0 HB ILE A 144 12.198 -4.619 5.306 0.81 0.00 H new ATOM 0 HG12 ILE A 144 14.560 -4.352 3.416 1.00 0.00 H new ATOM 0 HG13 ILE A 144 13.147 -5.337 3.092 1.00 0.00 H new ATOM 0 HG21 ILE A 144 13.483 -2.529 5.547 0.80 0.00 H new ATOM 0 HG22 ILE A 144 13.693 -3.597 6.955 0.80 0.00 H new ATOM 0 HG23 ILE A 144 14.979 -3.476 5.731 0.80 0.00 H new ATOM 0 HD11 ILE A 144 12.984 -3.173 1.961 0.36 0.00 H new ATOM 0 HD12 ILE A 144 11.708 -3.331 3.191 0.36 0.00 H new ATOM 0 HD13 ILE A 144 13.143 -2.331 3.520 0.36 0.00 H new ATOM 2274 N VAL A 145 13.477 -7.518 3.750 0.30 0.00 N ATOM 2275 CA VAL A 145 12.796 -8.592 3.031 0.82 0.00 C ATOM 2276 C VAL A 145 13.052 -9.952 3.679 0.06 0.00 C ATOM 2277 O VAL A 145 12.182 -10.823 3.674 0.19 0.00 O ATOM 2278 CB VAL A 145 13.231 -8.633 1.550 1.00 0.00 C ATOM 2279 CG1 VAL A 145 12.717 -9.890 0.863 1.00 0.00 C ATOM 2280 CG2 VAL A 145 12.745 -7.391 0.819 0.57 0.00 C ATOM 0 H VAL A 145 14.281 -7.126 3.261 0.30 0.00 H new ATOM 0 HA VAL A 145 11.728 -8.380 3.081 0.82 0.00 H new ATOM 0 HB VAL A 145 14.320 -8.653 1.519 1.00 0.00 H new ATOM 0 HG11 VAL A 145 13.038 -9.893 -0.179 1.00 0.00 H new ATOM 0 HG12 VAL A 145 13.116 -10.770 1.368 1.00 0.00 H new ATOM 0 HG13 VAL A 145 11.628 -9.909 0.907 1.00 0.00 H new ATOM 0 HG21 VAL A 145 13.060 -7.436 -0.224 0.57 0.00 H new ATOM 0 HG22 VAL A 145 11.657 -7.343 0.868 0.57 0.00 H new ATOM 0 HG23 VAL A 145 13.169 -6.503 1.288 0.57 0.00 H new ATOM 2290 N GLU A 146 14.245 -10.128 4.240 0.30 0.00 N ATOM 2291 CA GLU A 146 14.606 -11.386 4.888 0.38 0.00 C ATOM 2292 C GLU A 146 13.767 -11.626 6.141 0.05 0.00 C ATOM 2293 O GLU A 146 13.489 -12.769 6.501 0.16 0.00 O ATOM 2294 CB GLU A 146 16.093 -11.395 5.246 1.00 0.00 C ATOM 2295 CG GLU A 146 17.002 -11.678 4.062 1.00 0.00 C ATOM 2296 CD GLU A 146 18.473 -11.588 4.421 0.09 0.00 C ATOM 2297 OE1 GLU A 146 19.036 -10.476 4.343 0.59 0.00 O ATOM 2298 OE2 GLU A 146 19.061 -12.630 4.780 0.26 0.00 O ATOM 0 H GLU A 146 14.977 -9.418 4.259 0.30 0.00 H new ATOM 0 HA GLU A 146 14.403 -12.192 4.183 0.38 0.00 H new ATOM 0 HB2 GLU A 146 16.360 -10.430 5.676 1.00 0.00 H new ATOM 0 HB3 GLU A 146 16.268 -12.147 6.016 1.00 0.00 H new ATOM 0 HG2 GLU A 146 16.787 -12.673 3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 146 16.783 -10.970 3.263 1.00 0.00 H new ATOM 2305 N GLN A 147 13.365 -10.543 6.802 1.00 0.00 N ATOM 2306 CA GLN A 147 12.559 -10.645 8.014 0.08 0.00 C ATOM 2307 C GLN A 147 11.198 -11.269 7.718 1.00 0.00 C ATOM 2308 O GLN A 147 10.699 -12.086 8.491 0.61 0.00 O ATOM 2309 CB GLN A 147 12.369 -9.263 8.645 0.57 0.00 C ATOM 2310 CG GLN A 147 13.666 -8.612 9.102 0.26 0.00 C ATOM 2311 CD GLN A 147 14.259 -9.271 10.333 0.33 0.00 C ATOM 2312 OE1 GLN A 147 14.097 -10.471 10.553 0.37 0.00 O ATOM 2313 NE2 GLN A 147 14.954 -8.483 11.147 1.00 0.00 N ATOM 0 H GLN A 147 13.584 -9.588 6.519 1.00 0.00 H new ATOM 0 HA GLN A 147 13.089 -11.290 8.715 0.08 0.00 H new ATOM 0 HB2 GLN A 147 11.880 -8.609 7.923 0.57 0.00 H new ATOM 0 HB3 GLN A 147 11.698 -9.353 9.499 0.57 0.00 H new ATOM 0 HG2 GLN A 147 14.392 -8.652 8.290 0.26 0.00 H new ATOM 0 HG3 GLN A 147 13.482 -7.559 9.314 0.26 0.00 H new ATOM 0 HE21 GLN A 147 15.064 -7.493 10.927 1.00 0.00 H new ATOM 0 HE22 GLN A 147 15.377 -8.868 11.991 1.00 0.00 H new ATOM 2322 N SER A 148 10.605 -10.879 6.594 0.06 0.00 N ATOM 2323 CA SER A 148 9.301 -11.398 6.198 0.27 0.00 C ATOM 2324 C SER A 148 9.449 -12.590 5.257 1.00 0.00 C ATOM 2325 O SER A 148 8.458 -13.164 4.808 0.10 0.00 O ATOM 2326 CB SER A 148 8.480 -10.302 5.518 1.00 0.00 C ATOM 2327 OG SER A 148 9.085 -9.892 4.303 0.39 0.00 O ATOM 0 H SER A 148 11.007 -10.206 5.942 0.06 0.00 H new ATOM 0 HA SER A 148 8.783 -11.730 7.098 0.27 0.00 H new ATOM 0 HB2 SER A 148 7.472 -10.667 5.321 1.00 0.00 H new ATOM 0 HB3 SER A 148 8.384 -9.447 6.187 1.00 0.00 H new ATOM 0 HG SER A 148 8.418 -9.449 3.739 0.39 0.00 H new ATOM 2333 N TRP A 149 10.692 -12.955 4.962 0.77 0.00 N ATOM 2334 CA TRP A 149 10.967 -14.077 4.072 0.14 0.00 C ATOM 2335 C TRP A 149 10.667 -15.404 4.763 0.08 0.00 C ATOM 2336 O TRP A 149 10.602 -16.450 4.116 1.00 0.00 O ATOM 2337 CB TRP A 149 12.426 -14.042 3.614 1.00 0.00 C ATOM 2338 CG TRP A 149 12.607 -14.422 2.176 1.00 0.00 C ATOM 2339 CD1 TRP A 149 12.488 -13.601 1.093 1.00 0.00 C ATOM 2340 CD2 TRP A 149 12.935 -15.719 1.663 0.22 0.00 C ATOM 2341 NE1 TRP A 149 12.725 -14.304 -0.062 0.06 0.00 N ATOM 2342 CE2 TRP A 149 13.003 -15.606 0.260 1.00 0.00 C ATOM 2343 CE3 TRP A 149 13.182 -16.963 2.251 0.30 0.00 C ATOM 2344 CZ2 TRP A 149 13.304 -16.690 -0.559 0.57 0.00 C ATOM 2345 CZ3 TRP A 149 13.482 -18.038 1.436 0.26 0.00 C ATOM 2346 CH2 TRP A 149 13.542 -17.895 0.044 0.52 0.00 C ATOM 0 H TRP A 149 11.524 -12.491 5.326 0.77 0.00 H new ATOM 0 HA TRP A 149 10.318 -13.989 3.201 0.14 0.00 H new ATOM 0 HB2 TRP A 149 12.824 -13.039 3.770 1.00 0.00 H new ATOM 0 HB3 TRP A 149 13.011 -14.718 4.237 1.00 0.00 H new ATOM 0 HD1 TRP A 149 12.243 -12.550 1.138 1.00 0.00 H new ATOM 0 HE1 TRP A 149 12.698 -13.919 -1.006 0.06 0.00 H new ATOM 0 HE3 TRP A 149 13.139 -17.082 3.324 0.30 0.00 H new ATOM 0 HZ2 TRP A 149 13.348 -16.584 -1.633 0.57 0.00 H new ATOM 0 HZ3 TRP A 149 13.673 -19.004 1.880 0.26 0.00 H new ATOM 0 HH2 TRP A 149 13.781 -18.754 -0.566 0.52 0.00 H new