USER MOD reduce.3.24.130724 H: found=0, std=0, add=604, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 605 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 136 LYS NZ :NH3+ -172:sc= 2.4 (180deg=1.22) USER MOD Set 1.2: A 147 TYR OH : rot 120:sc= 1.09 USER MOD Single : A 90 SER OG : rot 22:sc= -0.687 USER MOD Single : A 95 ASN : amide:sc= -0.311 K(o=-0.31,f=-5.8!) USER MOD Single : A 96 ASN : amide:sc= -2.34! C(o=-2.3!,f=-7.3!) USER MOD Single : A 97 LYS NZ :NH3+ -163:sc= 0.984 (180deg=0.33) USER MOD Single : A 100 SER OG : rot 42:sc= 0.156 USER MOD Single : A 101 SER OG : rot 180:sc= 0 USER MOD Single : A 102 THR OG1 : rot 180:sc= 0 USER MOD Single : A 103 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 109 GLN : amide:sc= -1.8! C(o=-1.8!,f=-3.7!) USER MOD Single : A 110 THR OG1 : rot 180:sc= 0.0172 USER MOD Single : A 113 HIS : no HD1:sc= 0 X(o=0,f=-0.00055) USER MOD Single : A 115 LYS NZ :NH3+ -115:sc= 1.28 (180deg=-0.385) USER MOD Single : A 116 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 117 GLN :FLIP amide:sc= -0.0588 F(o=-0.88,f=-0.059) USER MOD Single : A 119 SER OG : rot 88:sc= 0.775 USER MOD Single : A 125 GLN :FLIP amide:sc= -0.0689 F(o=-1.2,f=-0.069) USER MOD Single : A 132 THR OG1 : rot -170:sc= -0.17 USER MOD Single : A 141 GLN :FLIP amide:sc= -0.0101 F(o=-1.1,f=-0.01) USER MOD Single : A 150 LYS NZ :NH3+ -167:sc= -0.0255 (180deg=-0.198) USER MOD Single : A 153 SER OG : rot -144:sc= -0.698 USER MOD Single : A 154 THR OG1 : rot 180:sc= 0 USER MOD Single : A 157 MET CE :methyl -161:sc= -0.138 (180deg=-0.779) USER MOD Single : A 158 ASN : amide:sc= 0.00409 K(o=0.0041,f=-1.8) USER MOD ----------------------------------------------------------------- ATOM 1 N ASP A 86 16.474 -12.257 -1.109 1.00 0.00 N ATOM 2 CA ASP A 86 15.318 -12.206 -0.218 1.00 0.00 C ATOM 3 C ASP A 86 14.160 -11.655 -1.025 1.00 0.00 C ATOM 4 O ASP A 86 12.984 -11.900 -0.738 1.00 0.00 O ATOM 5 CB ASP A 86 15.605 -11.312 0.998 1.00 0.00 C ATOM 6 CG ASP A 86 14.425 -11.184 1.939 1.00 0.00 C ATOM 7 OD1 ASP A 86 14.121 -12.156 2.666 1.00 0.00 O ATOM 8 OD2 ASP A 86 13.806 -10.102 1.967 1.00 0.00 O ATOM 0 HA ASP A 86 15.084 -13.199 0.165 1.00 0.00 H new ATOM 0 HB2 ASP A 86 16.455 -11.718 1.546 1.00 0.00 H new ATOM 0 HB3 ASP A 86 15.893 -10.320 0.651 1.00 0.00 H new ATOM 13 N GLU A 87 14.548 -10.889 -2.044 1.00 0.00 N ATOM 14 CA GLU A 87 13.663 -10.422 -3.100 1.00 0.00 C ATOM 15 C GLU A 87 12.580 -9.478 -2.590 1.00 0.00 C ATOM 16 O GLU A 87 11.448 -9.883 -2.322 1.00 0.00 O ATOM 17 CB GLU A 87 13.051 -11.603 -3.866 1.00 0.00 C ATOM 18 CG GLU A 87 13.997 -12.243 -4.880 1.00 0.00 C ATOM 19 CD GLU A 87 15.216 -12.893 -4.247 1.00 0.00 C ATOM 20 OE1 GLU A 87 16.209 -12.181 -3.968 1.00 0.00 O ATOM 21 OE2 GLU A 87 15.193 -14.122 -4.036 1.00 0.00 O ATOM 0 H GLU A 87 15.510 -10.571 -2.157 1.00 0.00 H new ATOM 0 HA GLU A 87 14.278 -9.843 -3.789 1.00 0.00 H new ATOM 0 HB2 GLU A 87 12.734 -12.362 -3.151 1.00 0.00 H new ATOM 0 HB3 GLU A 87 12.156 -11.261 -4.385 1.00 0.00 H new ATOM 0 HG2 GLU A 87 13.451 -12.994 -5.451 1.00 0.00 H new ATOM 0 HG3 GLU A 87 14.327 -11.482 -5.587 1.00 0.00 H new ATOM 28 N PRO A 88 12.935 -8.201 -2.410 1.00 0.00 N ATOM 29 CA PRO A 88 11.969 -7.148 -2.140 1.00 0.00 C ATOM 30 C PRO A 88 11.200 -6.773 -3.403 1.00 0.00 C ATOM 31 O PRO A 88 11.786 -6.589 -4.474 1.00 0.00 O ATOM 32 CB PRO A 88 12.825 -5.964 -1.660 1.00 0.00 C ATOM 33 CG PRO A 88 14.204 -6.508 -1.488 1.00 0.00 C ATOM 34 CD PRO A 88 14.306 -7.682 -2.415 1.00 0.00 C ATOM 0 HA PRO A 88 11.221 -7.452 -1.408 1.00 0.00 H new ATOM 0 HB2 PRO A 88 12.812 -5.151 -2.386 1.00 0.00 H new ATOM 0 HB3 PRO A 88 12.444 -5.559 -0.722 1.00 0.00 H new ATOM 0 HG2 PRO A 88 14.953 -5.754 -1.730 1.00 0.00 H new ATOM 0 HG3 PRO A 88 14.378 -6.810 -0.455 1.00 0.00 H new ATOM 0 HD2 PRO A 88 14.625 -7.385 -3.414 1.00 0.00 H new ATOM 0 HD3 PRO A 88 15.023 -8.422 -2.058 1.00 0.00 H new ATOM 42 N LEU A 89 9.891 -6.688 -3.277 1.00 0.00 N ATOM 43 CA LEU A 89 9.031 -6.299 -4.382 1.00 0.00 C ATOM 44 C LEU A 89 8.817 -4.792 -4.343 1.00 0.00 C ATOM 45 O LEU A 89 8.955 -4.177 -3.289 1.00 0.00 O ATOM 46 CB LEU A 89 7.695 -7.043 -4.277 1.00 0.00 C ATOM 47 CG LEU A 89 6.610 -6.631 -5.273 1.00 0.00 C ATOM 48 CD1 LEU A 89 7.022 -6.949 -6.701 1.00 0.00 C ATOM 49 CD2 LEU A 89 5.306 -7.322 -4.923 1.00 0.00 C ATOM 0 H LEU A 89 9.392 -6.886 -2.409 1.00 0.00 H new ATOM 0 HA LEU A 89 9.498 -6.562 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 89 7.886 -8.109 -4.401 1.00 0.00 H new ATOM 0 HB3 LEU A 89 7.304 -6.904 -3.269 1.00 0.00 H new ATOM 0 HG LEU A 89 6.471 -5.552 -5.207 1.00 0.00 H new ATOM 0 HD11 LEU A 89 6.230 -6.644 -7.385 1.00 0.00 H new ATOM 0 HD12 LEU A 89 7.938 -6.410 -6.944 1.00 0.00 H new ATOM 0 HD13 LEU A 89 7.194 -8.021 -6.800 1.00 0.00 H new ATOM 0 HD21 LEU A 89 4.535 -7.026 -5.635 1.00 0.00 H new ATOM 0 HD22 LEU A 89 5.444 -8.402 -4.966 1.00 0.00 H new ATOM 0 HD23 LEU A 89 5.001 -7.035 -3.917 1.00 0.00 H new ATOM 61 N SER A 90 8.500 -4.193 -5.476 1.00 0.00 N ATOM 62 CA SER A 90 8.279 -2.765 -5.524 1.00 0.00 C ATOM 63 C SER A 90 6.983 -2.463 -6.263 1.00 0.00 C ATOM 64 O SER A 90 6.736 -2.991 -7.346 1.00 0.00 O ATOM 65 CB SER A 90 9.464 -2.065 -6.194 1.00 0.00 C ATOM 66 OG SER A 90 9.470 -0.675 -5.906 1.00 0.00 O ATOM 0 H SER A 90 8.391 -4.673 -6.370 1.00 0.00 H new ATOM 0 HA SER A 90 8.193 -2.385 -4.506 1.00 0.00 H new ATOM 0 HB2 SER A 90 10.396 -2.514 -5.851 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.416 -2.215 -7.273 1.00 0.00 H new ATOM 0 HG SER A 90 8.959 -0.509 -5.086 1.00 0.00 H new ATOM 72 N ILE A 91 6.146 -1.632 -5.659 1.00 0.00 N ATOM 73 CA ILE A 91 4.877 -1.252 -6.258 1.00 0.00 C ATOM 74 C ILE A 91 4.751 0.264 -6.283 1.00 0.00 C ATOM 75 O ILE A 91 5.310 0.955 -5.426 1.00 0.00 O ATOM 76 CB ILE A 91 3.672 -1.853 -5.498 1.00 0.00 C ATOM 77 CG1 ILE A 91 3.713 -1.456 -4.019 1.00 0.00 C ATOM 78 CG2 ILE A 91 3.644 -3.368 -5.653 1.00 0.00 C ATOM 79 CD1 ILE A 91 2.498 -1.905 -3.236 1.00 0.00 C ATOM 0 H ILE A 91 6.325 -1.207 -4.749 1.00 0.00 H new ATOM 0 HA ILE A 91 4.865 -1.648 -7.273 1.00 0.00 H new ATOM 0 HB ILE A 91 2.756 -1.450 -5.931 1.00 0.00 H new ATOM 0 HG12 ILE A 91 4.607 -1.881 -3.562 1.00 0.00 H new ATOM 0 HG13 ILE A 91 3.802 -0.372 -3.945 1.00 0.00 H new ATOM 0 HG21 ILE A 91 2.789 -3.773 -5.111 1.00 0.00 H new ATOM 0 HG22 ILE A 91 3.559 -3.624 -6.709 1.00 0.00 H new ATOM 0 HG23 ILE A 91 4.563 -3.792 -5.249 1.00 0.00 H new ATOM 0 HD11 ILE A 91 2.597 -1.589 -2.198 1.00 0.00 H new ATOM 0 HD12 ILE A 91 1.602 -1.459 -3.667 1.00 0.00 H new ATOM 0 HD13 ILE A 91 2.419 -2.991 -3.278 1.00 0.00 H new ATOM 91 N LEU A 92 4.027 0.782 -7.258 1.00 0.00 N ATOM 92 CA LEU A 92 3.891 2.220 -7.412 1.00 0.00 C ATOM 93 C LEU A 92 2.647 2.725 -6.692 1.00 0.00 C ATOM 94 O LEU A 92 1.520 2.395 -7.065 1.00 0.00 O ATOM 95 CB LEU A 92 3.834 2.595 -8.893 1.00 0.00 C ATOM 96 CG LEU A 92 3.772 4.095 -9.184 1.00 0.00 C ATOM 97 CD1 LEU A 92 5.001 4.796 -8.619 1.00 0.00 C ATOM 98 CD2 LEU A 92 3.671 4.331 -10.682 1.00 0.00 C ATOM 0 H LEU A 92 3.525 0.231 -7.954 1.00 0.00 H new ATOM 0 HA LEU A 92 4.764 2.695 -6.964 1.00 0.00 H new ATOM 0 HB2 LEU A 92 4.711 2.181 -9.390 1.00 0.00 H new ATOM 0 HB3 LEU A 92 2.961 2.119 -9.338 1.00 0.00 H new ATOM 0 HG LEU A 92 2.886 4.510 -8.702 1.00 0.00 H new ATOM 0 HD11 LEU A 92 4.942 5.863 -8.834 1.00 0.00 H new ATOM 0 HD12 LEU A 92 5.042 4.645 -7.540 1.00 0.00 H new ATOM 0 HD13 LEU A 92 5.899 4.382 -9.078 1.00 0.00 H new ATOM 0 HD21 LEU A 92 3.627 5.402 -10.879 1.00 0.00 H new ATOM 0 HD22 LEU A 92 4.544 3.906 -11.177 1.00 0.00 H new ATOM 0 HD23 LEU A 92 2.769 3.854 -11.065 1.00 0.00 H new ATOM 110 N VAL A 93 2.862 3.516 -5.652 1.00 0.00 N ATOM 111 CA VAL A 93 1.769 4.121 -4.912 1.00 0.00 C ATOM 112 C VAL A 93 1.561 5.555 -5.382 1.00 0.00 C ATOM 113 O VAL A 93 2.428 6.415 -5.206 1.00 0.00 O ATOM 114 CB VAL A 93 2.036 4.098 -3.391 1.00 0.00 C ATOM 115 CG1 VAL A 93 0.884 4.737 -2.628 1.00 0.00 C ATOM 116 CG2 VAL A 93 2.268 2.671 -2.913 1.00 0.00 C ATOM 0 H VAL A 93 3.790 3.754 -5.301 1.00 0.00 H new ATOM 0 HA VAL A 93 0.868 3.539 -5.102 1.00 0.00 H new ATOM 0 HB VAL A 93 2.936 4.680 -3.194 1.00 0.00 H new ATOM 0 HG11 VAL A 93 1.095 4.709 -1.559 1.00 0.00 H new ATOM 0 HG12 VAL A 93 0.766 5.772 -2.947 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -0.036 4.188 -2.831 1.00 0.00 H new ATOM 0 HG21 VAL A 93 2.455 2.673 -1.839 1.00 0.00 H new ATOM 0 HG22 VAL A 93 1.386 2.068 -3.127 1.00 0.00 H new ATOM 0 HG23 VAL A 93 3.130 2.250 -3.430 1.00 0.00 H new ATOM 126 N ARG A 94 0.423 5.795 -6.005 1.00 0.00 N ATOM 127 CA ARG A 94 0.101 7.098 -6.566 1.00 0.00 C ATOM 128 C ARG A 94 -1.018 7.741 -5.763 1.00 0.00 C ATOM 129 O ARG A 94 -2.137 7.230 -5.734 1.00 0.00 O ATOM 130 CB ARG A 94 -0.329 6.929 -8.025 1.00 0.00 C ATOM 131 CG ARG A 94 -0.700 8.226 -8.721 1.00 0.00 C ATOM 132 CD ARG A 94 -1.242 7.951 -10.112 1.00 0.00 C ATOM 133 NE ARG A 94 -1.564 9.177 -10.832 1.00 0.00 N ATOM 134 CZ ARG A 94 -1.274 9.379 -12.116 1.00 0.00 C ATOM 135 NH1 ARG A 94 -0.623 8.451 -12.807 1.00 0.00 N ATOM 136 NH2 ARG A 94 -1.620 10.513 -12.705 1.00 0.00 N ATOM 0 H ARG A 94 -0.306 5.094 -6.138 1.00 0.00 H new ATOM 0 HA ARG A 94 0.980 7.742 -6.522 1.00 0.00 H new ATOM 0 HB2 ARG A 94 0.481 6.453 -8.577 1.00 0.00 H new ATOM 0 HB3 ARG A 94 -1.183 6.252 -8.064 1.00 0.00 H new ATOM 0 HG2 ARG A 94 -1.447 8.760 -8.133 1.00 0.00 H new ATOM 0 HG3 ARG A 94 0.175 8.872 -8.787 1.00 0.00 H new ATOM 0 HD2 ARG A 94 -0.507 7.381 -10.680 1.00 0.00 H new ATOM 0 HD3 ARG A 94 -2.136 7.332 -10.036 1.00 0.00 H new ATOM 0 HE ARG A 94 -2.039 9.923 -10.323 1.00 0.00 H new ATOM 0 HH11 ARG A 94 -0.344 7.581 -12.355 1.00 0.00 H new ATOM 0 HH12 ARG A 94 -0.402 8.608 -13.790 1.00 0.00 H new ATOM 0 HH21 ARG A 94 -2.110 11.234 -12.175 1.00 0.00 H new ATOM 0 HH22 ARG A 94 -1.397 10.666 -13.689 1.00 0.00 H new ATOM 150 N ASN A 95 -0.722 8.850 -5.101 1.00 0.00 N ATOM 151 CA ASN A 95 -1.721 9.508 -4.278 1.00 0.00 C ATOM 152 C ASN A 95 -2.433 10.615 -5.050 1.00 0.00 C ATOM 153 O ASN A 95 -1.810 11.361 -5.806 1.00 0.00 O ATOM 154 CB ASN A 95 -1.120 10.024 -2.952 1.00 0.00 C ATOM 155 CG ASN A 95 0.050 10.984 -3.105 1.00 0.00 C ATOM 156 OD1 ASN A 95 0.074 11.829 -3.989 1.00 0.00 O ATOM 157 ND2 ASN A 95 1.041 10.846 -2.235 1.00 0.00 N ATOM 0 H ASN A 95 0.190 9.307 -5.118 1.00 0.00 H new ATOM 0 HA ASN A 95 -2.471 8.763 -4.015 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -1.906 10.521 -2.384 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -0.793 9.168 -2.362 1.00 0.00 H new ATOM 0 HD21 ASN A 95 1.857 11.456 -2.290 1.00 0.00 H new ATOM 0 HD22 ASN A 95 0.987 10.130 -1.510 1.00 0.00 H new ATOM 164 N ASN A 96 -3.760 10.635 -4.871 1.00 0.00 N ATOM 165 CA ASN A 96 -4.700 11.608 -5.467 1.00 0.00 C ATOM 166 C ASN A 96 -4.160 12.402 -6.672 1.00 0.00 C ATOM 167 O ASN A 96 -4.441 12.059 -7.822 1.00 0.00 O ATOM 168 CB ASN A 96 -5.274 12.569 -4.398 1.00 0.00 C ATOM 169 CG ASN A 96 -4.236 13.420 -3.676 1.00 0.00 C ATOM 170 OD1 ASN A 96 -3.121 12.985 -3.407 1.00 0.00 O ATOM 171 ND2 ASN A 96 -4.596 14.658 -3.384 1.00 0.00 N ATOM 0 H ASN A 96 -4.233 9.948 -4.284 1.00 0.00 H new ATOM 0 HA ASN A 96 -5.499 10.987 -5.872 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -5.996 13.231 -4.876 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -5.820 11.983 -3.659 1.00 0.00 H new ATOM 0 HD21 ASN A 96 -3.938 15.285 -2.920 1.00 0.00 H new ATOM 0 HD22 ASN A 96 -5.532 14.987 -3.622 1.00 0.00 H new ATOM 178 N LYS A 97 -3.387 13.448 -6.410 1.00 0.00 N ATOM 179 CA LYS A 97 -3.067 14.442 -7.425 1.00 0.00 C ATOM 180 C LYS A 97 -1.599 14.868 -7.337 1.00 0.00 C ATOM 181 O LYS A 97 -1.165 15.788 -8.029 1.00 0.00 O ATOM 182 CB LYS A 97 -4.000 15.650 -7.206 1.00 0.00 C ATOM 183 CG LYS A 97 -3.827 16.825 -8.164 1.00 0.00 C ATOM 184 CD LYS A 97 -4.394 16.548 -9.551 1.00 0.00 C ATOM 185 CE LYS A 97 -3.435 15.748 -10.414 1.00 0.00 C ATOM 186 NZ LYS A 97 -2.108 16.415 -10.538 1.00 0.00 N ATOM 0 H LYS A 97 -2.968 13.630 -5.498 1.00 0.00 H new ATOM 0 HA LYS A 97 -3.216 14.021 -8.420 1.00 0.00 H new ATOM 0 HB2 LYS A 97 -5.031 15.302 -7.275 1.00 0.00 H new ATOM 0 HB3 LYS A 97 -3.854 16.014 -6.189 1.00 0.00 H new ATOM 0 HG2 LYS A 97 -4.318 17.704 -7.745 1.00 0.00 H new ATOM 0 HG3 LYS A 97 -2.767 17.063 -8.251 1.00 0.00 H new ATOM 0 HD2 LYS A 97 -5.334 16.004 -9.455 1.00 0.00 H new ATOM 0 HD3 LYS A 97 -4.621 17.493 -10.044 1.00 0.00 H new ATOM 0 HE2 LYS A 97 -3.303 14.755 -9.985 1.00 0.00 H new ATOM 0 HE3 LYS A 97 -3.867 15.612 -11.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 97 -1.589 16.009 -11.343 1.00 0.00 H new ATOM 0 HZ2 LYS A 97 -2.245 17.434 -10.693 1.00 0.00 H new ATOM 0 HZ3 LYS A 97 -1.563 16.268 -9.665 1.00 0.00 H new ATOM 200 N GLY A 98 -0.821 14.175 -6.523 1.00 0.00 N ATOM 201 CA GLY A 98 0.514 14.654 -6.239 1.00 0.00 C ATOM 202 C GLY A 98 1.625 13.683 -6.588 1.00 0.00 C ATOM 203 O GLY A 98 2.276 13.821 -7.625 1.00 0.00 O ATOM 0 H GLY A 98 -1.083 13.304 -6.061 1.00 0.00 H new ATOM 0 HA2 GLY A 98 0.676 15.582 -6.787 1.00 0.00 H new ATOM 0 HA3 GLY A 98 0.581 14.895 -5.178 1.00 0.00 H new ATOM 207 N ARG A 99 1.829 12.698 -5.733 1.00 0.00 N ATOM 208 CA ARG A 99 3.045 11.899 -5.764 1.00 0.00 C ATOM 209 C ARG A 99 2.788 10.465 -6.211 1.00 0.00 C ATOM 210 O ARG A 99 1.828 9.825 -5.783 1.00 0.00 O ATOM 211 CB ARG A 99 3.667 11.882 -4.366 1.00 0.00 C ATOM 212 CG ARG A 99 5.076 11.316 -4.318 1.00 0.00 C ATOM 213 CD ARG A 99 6.060 12.257 -4.990 1.00 0.00 C ATOM 214 NE ARG A 99 6.108 13.558 -4.325 1.00 0.00 N ATOM 215 CZ ARG A 99 6.667 14.647 -4.853 1.00 0.00 C ATOM 216 NH1 ARG A 99 7.263 14.580 -6.036 1.00 0.00 N ATOM 217 NH2 ARG A 99 6.650 15.795 -4.185 1.00 0.00 N ATOM 0 H ARG A 99 1.167 12.430 -5.005 1.00 0.00 H new ATOM 0 HA ARG A 99 3.720 12.354 -6.489 1.00 0.00 H new ATOM 0 HB2 ARG A 99 3.683 12.899 -3.975 1.00 0.00 H new ATOM 0 HB3 ARG A 99 3.029 11.296 -3.704 1.00 0.00 H new ATOM 0 HG2 ARG A 99 5.372 11.153 -3.282 1.00 0.00 H new ATOM 0 HG3 ARG A 99 5.099 10.345 -4.812 1.00 0.00 H new ATOM 0 HD2 ARG A 99 7.054 11.809 -4.984 1.00 0.00 H new ATOM 0 HD3 ARG A 99 5.778 12.393 -6.034 1.00 0.00 H new ATOM 0 HE ARG A 99 5.687 13.637 -3.399 1.00 0.00 H new ATOM 0 HH11 ARG A 99 7.294 13.695 -6.542 1.00 0.00 H new ATOM 0 HH12 ARG A 99 7.691 15.413 -6.440 1.00 0.00 H new ATOM 0 HH21 ARG A 99 6.209 15.844 -3.267 1.00 0.00 H new ATOM 0 HH22 ARG A 99 7.078 16.627 -4.590 1.00 0.00 H new ATOM 231 N SER A 100 3.659 9.966 -7.072 1.00 0.00 N ATOM 232 CA SER A 100 3.707 8.552 -7.386 1.00 0.00 C ATOM 233 C SER A 100 5.049 7.997 -6.923 1.00 0.00 C ATOM 234 O SER A 100 6.088 8.291 -7.514 1.00 0.00 O ATOM 235 CB SER A 100 3.499 8.314 -8.889 1.00 0.00 C ATOM 236 OG SER A 100 4.315 9.172 -9.676 1.00 0.00 O ATOM 0 H SER A 100 4.349 10.529 -7.570 1.00 0.00 H new ATOM 0 HA SER A 100 2.900 8.035 -6.867 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.727 7.275 -9.128 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.451 8.476 -9.141 1.00 0.00 H new ATOM 0 HG SER A 100 5.211 9.224 -9.282 1.00 0.00 H new ATOM 242 N SER A 101 5.035 7.236 -5.841 1.00 0.00 N ATOM 243 CA SER A 101 6.266 6.729 -5.258 1.00 0.00 C ATOM 244 C SER A 101 6.287 5.207 -5.282 1.00 0.00 C ATOM 245 O SER A 101 5.304 4.553 -4.928 1.00 0.00 O ATOM 246 CB SER A 101 6.422 7.249 -3.828 1.00 0.00 C ATOM 247 OG SER A 101 7.705 6.952 -3.312 1.00 0.00 O ATOM 0 H SER A 101 4.186 6.956 -5.349 1.00 0.00 H new ATOM 0 HA SER A 101 7.106 7.086 -5.853 1.00 0.00 H new ATOM 0 HB2 SER A 101 6.261 8.327 -3.811 1.00 0.00 H new ATOM 0 HB3 SER A 101 5.659 6.802 -3.191 1.00 0.00 H new ATOM 0 HG SER A 101 7.778 7.297 -2.398 1.00 0.00 H new ATOM 253 N THR A 102 7.403 4.652 -5.721 1.00 0.00 N ATOM 254 CA THR A 102 7.556 3.213 -5.816 1.00 0.00 C ATOM 255 C THR A 102 8.140 2.658 -4.513 1.00 0.00 C ATOM 256 O THR A 102 9.344 2.757 -4.271 1.00 0.00 O ATOM 257 CB THR A 102 8.482 2.849 -6.990 1.00 0.00 C ATOM 258 OG1 THR A 102 8.445 3.893 -7.973 1.00 0.00 O ATOM 259 CG2 THR A 102 8.059 1.538 -7.631 1.00 0.00 C ATOM 0 H THR A 102 8.222 5.182 -6.019 1.00 0.00 H new ATOM 0 HA THR A 102 6.574 2.773 -5.987 1.00 0.00 H new ATOM 0 HB THR A 102 9.495 2.735 -6.605 1.00 0.00 H new ATOM 0 HG1 THR A 102 9.036 3.661 -8.719 1.00 0.00 H new ATOM 0 HG21 THR A 102 8.730 1.304 -8.458 1.00 0.00 H new ATOM 0 HG22 THR A 102 8.104 0.740 -6.890 1.00 0.00 H new ATOM 0 HG23 THR A 102 7.039 1.628 -8.006 1.00 0.00 H new ATOM 267 N TYR A 103 7.281 2.097 -3.670 1.00 0.00 N ATOM 268 CA TYR A 103 7.703 1.593 -2.365 1.00 0.00 C ATOM 269 C TYR A 103 8.111 0.126 -2.449 1.00 0.00 C ATOM 270 O TYR A 103 7.824 -0.555 -3.438 1.00 0.00 O ATOM 271 CB TYR A 103 6.581 1.758 -1.335 1.00 0.00 C ATOM 272 CG TYR A 103 6.313 3.195 -0.926 1.00 0.00 C ATOM 273 CD1 TYR A 103 7.035 3.788 0.101 1.00 0.00 C ATOM 274 CD2 TYR A 103 5.335 3.950 -1.560 1.00 0.00 C ATOM 275 CE1 TYR A 103 6.791 5.094 0.486 1.00 0.00 C ATOM 276 CE2 TYR A 103 5.086 5.255 -1.184 1.00 0.00 C ATOM 277 CZ TYR A 103 5.814 5.824 -0.159 1.00 0.00 C ATOM 278 OH TYR A 103 5.565 7.127 0.219 1.00 0.00 O ATOM 0 H TYR A 103 6.287 1.979 -3.865 1.00 0.00 H new ATOM 0 HA TYR A 103 8.567 2.177 -2.049 1.00 0.00 H new ATOM 0 HB2 TYR A 103 5.664 1.332 -1.743 1.00 0.00 H new ATOM 0 HB3 TYR A 103 6.833 1.181 -0.445 1.00 0.00 H new ATOM 0 HD1 TYR A 103 7.801 3.220 0.608 1.00 0.00 H new ATOM 0 HD2 TYR A 103 4.760 3.509 -2.361 1.00 0.00 H new ATOM 0 HE1 TYR A 103 7.362 5.540 1.287 1.00 0.00 H new ATOM 0 HE2 TYR A 103 4.324 5.829 -1.690 1.00 0.00 H new ATOM 0 HH TYR A 103 4.848 7.497 -0.337 1.00 0.00 H new ATOM 288 N GLU A 104 8.777 -0.355 -1.405 1.00 0.00 N ATOM 289 CA GLU A 104 9.217 -1.740 -1.354 1.00 0.00 C ATOM 290 C GLU A 104 8.325 -2.561 -0.427 1.00 0.00 C ATOM 291 O GLU A 104 8.075 -2.186 0.724 1.00 0.00 O ATOM 292 CB GLU A 104 10.680 -1.822 -0.907 1.00 0.00 C ATOM 293 CG GLU A 104 10.937 -1.226 0.469 1.00 0.00 C ATOM 294 CD GLU A 104 12.406 -1.173 0.818 1.00 0.00 C ATOM 295 OE1 GLU A 104 13.066 -0.178 0.454 1.00 0.00 O ATOM 296 OE2 GLU A 104 12.906 -2.119 1.462 1.00 0.00 O ATOM 0 H GLU A 104 9.023 0.196 -0.583 1.00 0.00 H new ATOM 0 HA GLU A 104 9.138 -2.159 -2.357 1.00 0.00 H new ATOM 0 HB2 GLU A 104 10.991 -2.867 -0.904 1.00 0.00 H new ATOM 0 HB3 GLU A 104 11.303 -1.306 -1.638 1.00 0.00 H new ATOM 0 HG2 GLU A 104 10.522 -0.219 0.507 1.00 0.00 H new ATOM 0 HG3 GLU A 104 10.411 -1.816 1.220 1.00 0.00 H new ATOM 303 N VAL A 105 7.847 -3.680 -0.939 1.00 0.00 N ATOM 304 CA VAL A 105 6.920 -4.538 -0.216 1.00 0.00 C ATOM 305 C VAL A 105 7.264 -6.007 -0.433 1.00 0.00 C ATOM 306 O VAL A 105 8.235 -6.332 -1.117 1.00 0.00 O ATOM 307 CB VAL A 105 5.462 -4.296 -0.666 1.00 0.00 C ATOM 308 CG1 VAL A 105 5.017 -2.882 -0.330 1.00 0.00 C ATOM 309 CG2 VAL A 105 5.305 -4.563 -2.156 1.00 0.00 C ATOM 0 H VAL A 105 8.089 -4.022 -1.869 1.00 0.00 H new ATOM 0 HA VAL A 105 7.012 -4.291 0.842 1.00 0.00 H new ATOM 0 HB VAL A 105 4.824 -4.993 -0.122 1.00 0.00 H new ATOM 0 HG11 VAL A 105 3.987 -2.737 -0.657 1.00 0.00 H new ATOM 0 HG12 VAL A 105 5.081 -2.727 0.747 1.00 0.00 H new ATOM 0 HG13 VAL A 105 5.663 -2.167 -0.839 1.00 0.00 H new ATOM 0 HG21 VAL A 105 4.270 -4.386 -2.450 1.00 0.00 H new ATOM 0 HG22 VAL A 105 5.961 -3.896 -2.716 1.00 0.00 H new ATOM 0 HG23 VAL A 105 5.571 -5.598 -2.370 1.00 0.00 H new ATOM 319 N ARG A 106 6.482 -6.890 0.167 1.00 0.00 N ATOM 320 CA ARG A 106 6.627 -8.320 -0.057 1.00 0.00 C ATOM 321 C ARG A 106 5.261 -8.927 -0.340 1.00 0.00 C ATOM 322 O ARG A 106 4.238 -8.294 -0.092 1.00 0.00 O ATOM 323 CB ARG A 106 7.264 -9.003 1.159 1.00 0.00 C ATOM 324 CG ARG A 106 8.654 -8.485 1.491 1.00 0.00 C ATOM 325 CD ARG A 106 9.283 -9.251 2.644 1.00 0.00 C ATOM 326 NE ARG A 106 9.454 -10.674 2.341 1.00 0.00 N ATOM 327 CZ ARG A 106 10.394 -11.158 1.524 1.00 0.00 C ATOM 328 NH1 ARG A 106 11.232 -10.337 0.903 1.00 0.00 N ATOM 329 NH2 ARG A 106 10.513 -12.466 1.340 1.00 0.00 N ATOM 0 H ARG A 106 5.736 -6.640 0.816 1.00 0.00 H new ATOM 0 HA ARG A 106 7.282 -8.476 -0.914 1.00 0.00 H new ATOM 0 HB2 ARG A 106 6.617 -8.862 2.025 1.00 0.00 H new ATOM 0 HB3 ARG A 106 7.320 -10.076 0.974 1.00 0.00 H new ATOM 0 HG2 ARG A 106 9.292 -8.566 0.611 1.00 0.00 H new ATOM 0 HG3 ARG A 106 8.596 -7.427 1.747 1.00 0.00 H new ATOM 0 HD2 ARG A 106 10.253 -8.814 2.881 1.00 0.00 H new ATOM 0 HD3 ARG A 106 8.659 -9.144 3.531 1.00 0.00 H new ATOM 0 HE ARG A 106 8.816 -11.337 2.781 1.00 0.00 H new ATOM 0 HH11 ARG A 106 11.161 -9.330 1.048 1.00 0.00 H new ATOM 0 HH12 ARG A 106 11.947 -10.713 0.281 1.00 0.00 H new ATOM 0 HH21 ARG A 106 9.885 -13.108 1.823 1.00 0.00 H new ATOM 0 HH22 ARG A 106 11.232 -12.830 0.715 1.00 0.00 H new ATOM 343 N LEU A 107 5.241 -10.137 -0.872 1.00 0.00 N ATOM 344 CA LEU A 107 3.978 -10.824 -1.115 1.00 0.00 C ATOM 345 C LEU A 107 3.490 -11.488 0.161 1.00 0.00 C ATOM 346 O LEU A 107 2.298 -11.473 0.468 1.00 0.00 O ATOM 347 CB LEU A 107 4.114 -11.878 -2.228 1.00 0.00 C ATOM 348 CG LEU A 107 4.345 -11.337 -3.646 1.00 0.00 C ATOM 349 CD1 LEU A 107 5.748 -10.764 -3.789 1.00 0.00 C ATOM 350 CD2 LEU A 107 4.109 -12.433 -4.676 1.00 0.00 C ATOM 0 H LEU A 107 6.073 -10.662 -1.142 1.00 0.00 H new ATOM 0 HA LEU A 107 3.252 -10.078 -1.440 1.00 0.00 H new ATOM 0 HB2 LEU A 107 4.942 -12.540 -1.974 1.00 0.00 H new ATOM 0 HB3 LEU A 107 3.210 -12.487 -2.236 1.00 0.00 H new ATOM 0 HG LEU A 107 3.632 -10.532 -3.823 1.00 0.00 H new ATOM 0 HD11 LEU A 107 5.886 -10.388 -4.803 1.00 0.00 H new ATOM 0 HD12 LEU A 107 5.882 -9.949 -3.078 1.00 0.00 H new ATOM 0 HD13 LEU A 107 6.482 -11.545 -3.589 1.00 0.00 H new ATOM 0 HD21 LEU A 107 4.277 -12.034 -5.677 1.00 0.00 H new ATOM 0 HD22 LEU A 107 4.798 -13.258 -4.494 1.00 0.00 H new ATOM 0 HD23 LEU A 107 3.083 -12.793 -4.596 1.00 0.00 H new ATOM 362 N THR A 108 4.427 -12.050 0.911 1.00 0.00 N ATOM 363 CA THR A 108 4.112 -12.707 2.160 1.00 0.00 C ATOM 364 C THR A 108 4.232 -11.721 3.323 1.00 0.00 C ATOM 365 O THR A 108 5.132 -11.817 4.158 1.00 0.00 O ATOM 366 CB THR A 108 5.029 -13.926 2.392 1.00 0.00 C ATOM 367 OG1 THR A 108 5.092 -14.711 1.190 1.00 0.00 O ATOM 368 CG2 THR A 108 4.517 -14.790 3.536 1.00 0.00 C ATOM 0 H THR A 108 5.418 -12.061 0.669 1.00 0.00 H new ATOM 0 HA THR A 108 3.083 -13.064 2.106 1.00 0.00 H new ATOM 0 HB THR A 108 6.022 -13.563 2.656 1.00 0.00 H new ATOM 0 HG1 THR A 108 5.675 -15.485 1.335 1.00 0.00 H new ATOM 0 HG21 THR A 108 5.184 -15.641 3.676 1.00 0.00 H new ATOM 0 HG22 THR A 108 4.485 -14.200 4.452 1.00 0.00 H new ATOM 0 HG23 THR A 108 3.515 -15.149 3.301 1.00 0.00 H new ATOM 376 N GLN A 109 3.347 -10.735 3.317 1.00 0.00 N ATOM 377 CA GLN A 109 3.241 -9.767 4.398 1.00 0.00 C ATOM 378 C GLN A 109 1.840 -9.178 4.392 1.00 0.00 C ATOM 379 O GLN A 109 1.145 -9.233 3.370 1.00 0.00 O ATOM 380 CB GLN A 109 4.308 -8.663 4.267 1.00 0.00 C ATOM 381 CG GLN A 109 4.250 -7.880 2.963 1.00 0.00 C ATOM 382 CD GLN A 109 3.553 -6.540 3.104 1.00 0.00 C ATOM 383 OE1 GLN A 109 2.340 -6.440 2.968 1.00 0.00 O ATOM 384 NE2 GLN A 109 4.327 -5.494 3.344 1.00 0.00 N ATOM 0 H GLN A 109 2.680 -10.584 2.560 1.00 0.00 H new ATOM 0 HA GLN A 109 3.420 -10.268 5.349 1.00 0.00 H new ATOM 0 HB2 GLN A 109 4.197 -7.967 5.099 1.00 0.00 H new ATOM 0 HB3 GLN A 109 5.295 -9.116 4.360 1.00 0.00 H new ATOM 0 HG2 GLN A 109 5.264 -7.719 2.598 1.00 0.00 H new ATOM 0 HG3 GLN A 109 3.731 -8.475 2.211 1.00 0.00 H new ATOM 0 HE21 GLN A 109 5.334 -5.618 3.451 1.00 0.00 H new ATOM 0 HE22 GLN A 109 3.917 -4.563 3.422 1.00 0.00 H new ATOM 393 N THR A 110 1.418 -8.644 5.524 1.00 0.00 N ATOM 394 CA THR A 110 0.099 -8.059 5.636 1.00 0.00 C ATOM 395 C THR A 110 0.143 -6.589 5.242 1.00 0.00 C ATOM 396 O THR A 110 1.133 -5.901 5.507 1.00 0.00 O ATOM 397 CB THR A 110 -0.455 -8.212 7.067 1.00 0.00 C ATOM 398 OG1 THR A 110 0.550 -7.852 8.029 1.00 0.00 O ATOM 399 CG2 THR A 110 -0.912 -9.639 7.322 1.00 0.00 C ATOM 0 H THR A 110 1.973 -8.605 6.379 1.00 0.00 H new ATOM 0 HA THR A 110 -0.568 -8.590 4.957 1.00 0.00 H new ATOM 0 HB THR A 110 -1.312 -7.546 7.170 1.00 0.00 H new ATOM 0 HG1 THR A 110 0.187 -7.951 8.934 1.00 0.00 H new ATOM 0 HG21 THR A 110 -1.298 -9.721 8.338 1.00 0.00 H new ATOM 0 HG22 THR A 110 -1.697 -9.902 6.613 1.00 0.00 H new ATOM 0 HG23 THR A 110 -0.069 -10.319 7.199 1.00 0.00 H new ATOM 407 N VAL A 111 -0.928 -6.113 4.611 1.00 0.00 N ATOM 408 CA VAL A 111 -1.002 -4.732 4.127 1.00 0.00 C ATOM 409 C VAL A 111 -0.773 -3.730 5.268 1.00 0.00 C ATOM 410 O VAL A 111 -0.425 -2.571 5.033 1.00 0.00 O ATOM 411 CB VAL A 111 -2.357 -4.449 3.436 1.00 0.00 C ATOM 412 CG1 VAL A 111 -2.403 -3.039 2.866 1.00 0.00 C ATOM 413 CG2 VAL A 111 -2.630 -5.473 2.342 1.00 0.00 C ATOM 0 H VAL A 111 -1.764 -6.666 4.421 1.00 0.00 H new ATOM 0 HA VAL A 111 -0.208 -4.606 3.391 1.00 0.00 H new ATOM 0 HB VAL A 111 -3.137 -4.533 4.193 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -3.368 -2.871 2.387 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -2.267 -2.317 3.671 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -1.607 -2.918 2.131 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -3.588 -5.254 1.870 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -1.838 -5.427 1.594 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -2.660 -6.472 2.778 1.00 0.00 H new ATOM 423 N ALA A 112 -0.944 -4.189 6.505 1.00 0.00 N ATOM 424 CA ALA A 112 -0.634 -3.380 7.676 1.00 0.00 C ATOM 425 C ALA A 112 0.812 -2.896 7.630 1.00 0.00 C ATOM 426 O ALA A 112 1.117 -1.776 8.035 1.00 0.00 O ATOM 427 CB ALA A 112 -0.882 -4.180 8.949 1.00 0.00 C ATOM 0 H ALA A 112 -1.297 -5.121 6.721 1.00 0.00 H new ATOM 0 HA ALA A 112 -1.288 -2.508 7.674 1.00 0.00 H new ATOM 0 HB1 ALA A 112 -0.647 -3.564 9.817 1.00 0.00 H new ATOM 0 HB2 ALA A 112 -1.929 -4.482 8.991 1.00 0.00 H new ATOM 0 HB3 ALA A 112 -0.248 -5.067 8.951 1.00 0.00 H new ATOM 433 N HIS A 113 1.690 -3.736 7.089 1.00 0.00 N ATOM 434 CA HIS A 113 3.105 -3.411 6.988 1.00 0.00 C ATOM 435 C HIS A 113 3.357 -2.386 5.894 1.00 0.00 C ATOM 436 O HIS A 113 4.416 -1.777 5.840 1.00 0.00 O ATOM 437 CB HIS A 113 3.933 -4.672 6.740 1.00 0.00 C ATOM 438 CG HIS A 113 4.482 -5.260 7.995 1.00 0.00 C ATOM 439 ND1 HIS A 113 5.788 -5.084 8.389 1.00 0.00 N ATOM 440 CD2 HIS A 113 3.897 -6.009 8.956 1.00 0.00 C ATOM 441 CE1 HIS A 113 5.985 -5.698 9.537 1.00 0.00 C ATOM 442 NE2 HIS A 113 4.853 -6.267 9.904 1.00 0.00 N ATOM 0 H HIS A 113 1.442 -4.651 6.713 1.00 0.00 H new ATOM 0 HA HIS A 113 3.415 -2.974 7.937 1.00 0.00 H new ATOM 0 HB2 HIS A 113 3.313 -5.415 6.237 1.00 0.00 H new ATOM 0 HB3 HIS A 113 4.756 -4.434 6.066 1.00 0.00 H new ATOM 0 HD2 HIS A 113 2.870 -6.342 8.974 1.00 0.00 H new ATOM 0 HE1 HIS A 113 6.915 -5.730 10.085 1.00 0.00 H new ATOM 0 HE2 HIS A 113 4.712 -6.811 10.755 1.00 0.00 H new ATOM 451 N LEU A 114 2.380 -2.197 5.024 1.00 0.00 N ATOM 452 CA LEU A 114 2.469 -1.165 4.004 1.00 0.00 C ATOM 453 C LEU A 114 1.833 0.122 4.508 1.00 0.00 C ATOM 454 O LEU A 114 2.462 1.183 4.512 1.00 0.00 O ATOM 455 CB LEU A 114 1.773 -1.611 2.714 1.00 0.00 C ATOM 456 CG LEU A 114 1.749 -0.560 1.598 1.00 0.00 C ATOM 457 CD1 LEU A 114 3.161 -0.239 1.132 1.00 0.00 C ATOM 458 CD2 LEU A 114 0.889 -1.028 0.432 1.00 0.00 C ATOM 0 H LEU A 114 1.518 -2.742 5.003 1.00 0.00 H new ATOM 0 HA LEU A 114 3.523 -0.990 3.788 1.00 0.00 H new ATOM 0 HB2 LEU A 114 2.271 -2.506 2.340 1.00 0.00 H new ATOM 0 HB3 LEU A 114 0.747 -1.893 2.950 1.00 0.00 H new ATOM 0 HG LEU A 114 1.307 0.352 1.999 1.00 0.00 H new ATOM 0 HD11 LEU A 114 3.122 0.509 0.340 1.00 0.00 H new ATOM 0 HD12 LEU A 114 3.741 0.149 1.969 1.00 0.00 H new ATOM 0 HD13 LEU A 114 3.634 -1.145 0.752 1.00 0.00 H new ATOM 0 HD21 LEU A 114 0.887 -0.266 -0.347 1.00 0.00 H new ATOM 0 HD22 LEU A 114 1.294 -1.957 0.031 1.00 0.00 H new ATOM 0 HD23 LEU A 114 -0.131 -1.197 0.777 1.00 0.00 H new ATOM 470 N LYS A 115 0.590 0.006 4.964 1.00 0.00 N ATOM 471 CA LYS A 115 -0.201 1.161 5.359 1.00 0.00 C ATOM 472 C LYS A 115 0.448 1.915 6.515 1.00 0.00 C ATOM 473 O LYS A 115 0.466 3.141 6.511 1.00 0.00 O ATOM 474 CB LYS A 115 -1.630 0.736 5.721 1.00 0.00 C ATOM 475 CG LYS A 115 -2.571 1.908 5.963 1.00 0.00 C ATOM 476 CD LYS A 115 -4.034 1.495 5.864 1.00 0.00 C ATOM 477 CE LYS A 115 -4.451 0.543 6.977 1.00 0.00 C ATOM 478 NZ LYS A 115 -4.460 1.207 8.309 1.00 0.00 N ATOM 0 H LYS A 115 0.107 -0.886 5.069 1.00 0.00 H new ATOM 0 HA LYS A 115 -0.246 1.840 4.508 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -2.031 0.119 4.917 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -1.600 0.114 6.616 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -2.379 2.329 6.950 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -2.366 2.694 5.236 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -4.662 2.385 5.898 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -4.209 1.019 4.899 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -5.444 0.149 6.763 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -3.769 -0.307 7.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -3.734 0.776 8.917 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -4.258 2.221 8.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -5.395 1.089 8.749 1.00 0.00 H new ATOM 492 N GLN A 116 1.008 1.194 7.482 1.00 0.00 N ATOM 493 CA GLN A 116 1.618 1.836 8.645 1.00 0.00 C ATOM 494 C GLN A 116 2.897 2.588 8.264 1.00 0.00 C ATOM 495 O GLN A 116 3.218 3.614 8.863 1.00 0.00 O ATOM 496 CB GLN A 116 1.904 0.817 9.750 1.00 0.00 C ATOM 497 CG GLN A 116 2.454 1.451 11.018 1.00 0.00 C ATOM 498 CD GLN A 116 2.607 0.463 12.153 1.00 0.00 C ATOM 499 OE1 GLN A 116 3.647 -0.181 12.292 1.00 0.00 O ATOM 500 NE2 GLN A 116 1.590 0.366 12.993 1.00 0.00 N ATOM 0 H GLN A 116 1.053 0.175 7.486 1.00 0.00 H new ATOM 0 HA GLN A 116 0.902 2.564 9.027 1.00 0.00 H new ATOM 0 HB2 GLN A 116 0.985 0.281 9.988 1.00 0.00 H new ATOM 0 HB3 GLN A 116 2.617 0.080 9.381 1.00 0.00 H new ATOM 0 HG2 GLN A 116 3.423 1.901 10.802 1.00 0.00 H new ATOM 0 HG3 GLN A 116 1.791 2.257 11.332 1.00 0.00 H new ATOM 0 HE21 GLN A 116 0.747 0.919 12.839 1.00 0.00 H new ATOM 0 HE22 GLN A 116 1.649 -0.262 13.795 1.00 0.00 H new ATOM 509 N GLN A 117 3.620 2.096 7.266 1.00 0.00 N ATOM 510 CA GLN A 117 4.801 2.802 6.774 1.00 0.00 C ATOM 511 C GLN A 117 4.365 4.091 6.087 1.00 0.00 C ATOM 512 O GLN A 117 4.927 5.168 6.318 1.00 0.00 O ATOM 513 CB GLN A 117 5.604 1.930 5.810 1.00 0.00 C ATOM 514 CG GLN A 117 6.128 0.649 6.441 1.00 0.00 C ATOM 515 CD GLN A 117 6.970 -0.184 5.495 1.00 0.00 C ATOM 516 OE1 GLN A 117 6.686 -0.093 4.204 1.00 0.00 O flip ATOM 517 NE2 GLN A 117 7.868 -0.909 5.925 1.00 0.00 N flip ATOM 0 H GLN A 117 3.414 1.221 6.784 1.00 0.00 H new ATOM 0 HA GLN A 117 5.447 3.038 7.620 1.00 0.00 H new ATOM 0 HB2 GLN A 117 4.977 1.674 4.956 1.00 0.00 H new ATOM 0 HB3 GLN A 117 6.445 2.507 5.426 1.00 0.00 H new ATOM 0 HG2 GLN A 117 6.722 0.901 7.319 1.00 0.00 H new ATOM 0 HG3 GLN A 117 5.285 0.052 6.788 1.00 0.00 H new ATOM 0 HE21 GLN A 117 8.054 -0.950 6.927 1.00 0.00 H new ATOM 0 HE22 GLN A 117 8.425 -1.468 5.279 1.00 0.00 H new ATOM 526 N VAL A 118 3.330 3.977 5.265 1.00 0.00 N ATOM 527 CA VAL A 118 2.714 5.141 4.655 1.00 0.00 C ATOM 528 C VAL A 118 2.193 6.072 5.744 1.00 0.00 C ATOM 529 O VAL A 118 2.277 7.287 5.625 1.00 0.00 O ATOM 530 CB VAL A 118 1.559 4.741 3.705 1.00 0.00 C ATOM 531 CG1 VAL A 118 0.937 5.967 3.054 1.00 0.00 C ATOM 532 CG2 VAL A 118 2.053 3.772 2.640 1.00 0.00 C ATOM 0 H VAL A 118 2.901 3.088 5.007 1.00 0.00 H new ATOM 0 HA VAL A 118 3.470 5.654 4.061 1.00 0.00 H new ATOM 0 HB VAL A 118 0.792 4.245 4.300 1.00 0.00 H new ATOM 0 HG11 VAL A 118 0.129 5.657 2.392 1.00 0.00 H new ATOM 0 HG12 VAL A 118 0.541 6.627 3.826 1.00 0.00 H new ATOM 0 HG13 VAL A 118 1.695 6.497 2.477 1.00 0.00 H new ATOM 0 HG21 VAL A 118 1.227 3.502 1.982 1.00 0.00 H new ATOM 0 HG22 VAL A 118 2.843 4.245 2.056 1.00 0.00 H new ATOM 0 HG23 VAL A 118 2.444 2.874 3.118 1.00 0.00 H new ATOM 542 N SER A 119 1.701 5.480 6.826 1.00 0.00 N ATOM 543 CA SER A 119 1.200 6.238 7.965 1.00 0.00 C ATOM 544 C SER A 119 2.342 6.880 8.756 1.00 0.00 C ATOM 545 O SER A 119 2.119 7.770 9.577 1.00 0.00 O ATOM 546 CB SER A 119 0.369 5.331 8.866 1.00 0.00 C ATOM 547 OG SER A 119 -0.747 4.816 8.167 1.00 0.00 O ATOM 0 H SER A 119 1.638 4.468 6.938 1.00 0.00 H new ATOM 0 HA SER A 119 0.569 7.043 7.588 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.986 4.510 9.231 1.00 0.00 H new ATOM 0 HB3 SER A 119 0.031 5.889 9.739 1.00 0.00 H new ATOM 0 HG SER A 119 -0.491 3.991 7.705 1.00 0.00 H new ATOM 553 N GLY A 120 3.563 6.427 8.508 1.00 0.00 N ATOM 554 CA GLY A 120 4.712 7.043 9.138 1.00 0.00 C ATOM 555 C GLY A 120 5.096 8.334 8.447 1.00 0.00 C ATOM 556 O GLY A 120 5.460 9.315 9.098 1.00 0.00 O ATOM 0 H GLY A 120 3.777 5.648 7.885 1.00 0.00 H new ATOM 0 HA2 GLY A 120 4.491 7.242 10.187 1.00 0.00 H new ATOM 0 HA3 GLY A 120 5.555 6.352 9.116 1.00 0.00 H new ATOM 560 N LEU A 121 5.009 8.335 7.120 1.00 0.00 N ATOM 561 CA LEU A 121 5.353 9.517 6.332 1.00 0.00 C ATOM 562 C LEU A 121 4.117 10.368 6.012 1.00 0.00 C ATOM 563 O LEU A 121 3.988 11.503 6.474 1.00 0.00 O ATOM 564 CB LEU A 121 6.047 9.110 5.021 1.00 0.00 C ATOM 565 CG LEU A 121 7.500 8.630 5.141 1.00 0.00 C ATOM 566 CD1 LEU A 121 7.585 7.258 5.802 1.00 0.00 C ATOM 567 CD2 LEU A 121 8.155 8.599 3.766 1.00 0.00 C ATOM 0 H LEU A 121 4.704 7.533 6.568 1.00 0.00 H new ATOM 0 HA LEU A 121 6.035 10.117 6.935 1.00 0.00 H new ATOM 0 HB2 LEU A 121 5.462 8.316 4.556 1.00 0.00 H new ATOM 0 HB3 LEU A 121 6.023 9.963 4.342 1.00 0.00 H new ATOM 0 HG LEU A 121 8.035 9.335 5.777 1.00 0.00 H new ATOM 0 HD11 LEU A 121 8.629 6.951 5.870 1.00 0.00 H new ATOM 0 HD12 LEU A 121 7.156 7.309 6.803 1.00 0.00 H new ATOM 0 HD13 LEU A 121 7.031 6.532 5.206 1.00 0.00 H new ATOM 0 HD21 LEU A 121 9.186 8.257 3.862 1.00 0.00 H new ATOM 0 HD22 LEU A 121 7.605 7.918 3.116 1.00 0.00 H new ATOM 0 HD23 LEU A 121 8.143 9.600 3.335 1.00 0.00 H new ATOM 579 N GLU A 122 3.204 9.791 5.241 1.00 0.00 N ATOM 580 CA GLU A 122 2.036 10.499 4.713 1.00 0.00 C ATOM 581 C GLU A 122 0.814 10.252 5.594 1.00 0.00 C ATOM 582 O GLU A 122 -0.305 10.597 5.228 1.00 0.00 O ATOM 583 CB GLU A 122 1.731 10.035 3.288 1.00 0.00 C ATOM 584 CG GLU A 122 2.961 9.865 2.406 1.00 0.00 C ATOM 585 CD GLU A 122 3.776 11.134 2.263 1.00 0.00 C ATOM 586 OE1 GLU A 122 3.225 12.153 1.795 1.00 0.00 O ATOM 587 OE2 GLU A 122 4.978 11.114 2.603 1.00 0.00 O ATOM 0 H GLU A 122 3.250 8.811 4.960 1.00 0.00 H new ATOM 0 HA GLU A 122 2.263 11.565 4.706 1.00 0.00 H new ATOM 0 HB2 GLU A 122 1.198 9.085 3.334 1.00 0.00 H new ATOM 0 HB3 GLU A 122 1.060 10.755 2.820 1.00 0.00 H new ATOM 0 HG2 GLU A 122 3.593 9.081 2.823 1.00 0.00 H new ATOM 0 HG3 GLU A 122 2.647 9.530 1.417 1.00 0.00 H new ATOM 594 N GLY A 123 1.068 9.610 6.734 1.00 0.00 N ATOM 595 CA GLY A 123 0.041 9.064 7.622 1.00 0.00 C ATOM 596 C GLY A 123 -1.054 10.002 8.111 1.00 0.00 C ATOM 597 O GLY A 123 -1.798 9.622 9.011 1.00 0.00 O ATOM 0 H GLY A 123 2.016 9.451 7.074 1.00 0.00 H new ATOM 0 HA2 GLY A 123 -0.438 8.232 7.106 1.00 0.00 H new ATOM 0 HA3 GLY A 123 0.542 8.651 8.497 1.00 0.00 H new ATOM 601 N VAL A 124 -1.113 11.223 7.588 1.00 0.00 N ATOM 602 CA VAL A 124 -2.154 12.193 7.941 1.00 0.00 C ATOM 603 C VAL A 124 -3.546 11.555 8.006 1.00 0.00 C ATOM 604 O VAL A 124 -4.237 11.459 6.993 1.00 0.00 O ATOM 605 CB VAL A 124 -2.205 13.345 6.918 1.00 0.00 C ATOM 606 CG1 VAL A 124 -3.281 14.354 7.304 1.00 0.00 C ATOM 607 CG2 VAL A 124 -0.839 14.008 6.780 1.00 0.00 C ATOM 0 H VAL A 124 -0.440 11.572 6.905 1.00 0.00 H new ATOM 0 HA VAL A 124 -1.889 12.572 8.928 1.00 0.00 H new ATOM 0 HB VAL A 124 -2.468 12.933 5.944 1.00 0.00 H new ATOM 0 HG11 VAL A 124 -3.303 15.161 6.571 1.00 0.00 H new ATOM 0 HG12 VAL A 124 -4.252 13.859 7.329 1.00 0.00 H new ATOM 0 HG13 VAL A 124 -3.058 14.765 8.289 1.00 0.00 H new ATOM 0 HG21 VAL A 124 -0.899 14.818 6.053 1.00 0.00 H new ATOM 0 HG22 VAL A 124 -0.530 14.409 7.745 1.00 0.00 H new ATOM 0 HG23 VAL A 124 -0.109 13.272 6.443 1.00 0.00 H new ATOM 617 N GLN A 125 -3.928 11.126 9.211 1.00 0.00 N ATOM 618 CA GLN A 125 -5.226 10.510 9.476 1.00 0.00 C ATOM 619 C GLN A 125 -5.456 9.273 8.603 1.00 0.00 C ATOM 620 O GLN A 125 -5.702 9.374 7.402 1.00 0.00 O ATOM 621 CB GLN A 125 -6.352 11.531 9.293 1.00 0.00 C ATOM 622 CG GLN A 125 -7.685 11.076 9.862 1.00 0.00 C ATOM 623 CD GLN A 125 -8.669 12.218 10.020 1.00 0.00 C ATOM 624 OE1 GLN A 125 -9.471 12.461 8.996 1.00 0.00 O flip ATOM 625 NE2 GLN A 125 -8.708 12.877 11.060 1.00 0.00 N flip ATOM 0 H GLN A 125 -3.336 11.198 10.039 1.00 0.00 H new ATOM 0 HA GLN A 125 -5.229 10.176 10.513 1.00 0.00 H new ATOM 0 HB2 GLN A 125 -6.063 12.467 9.771 1.00 0.00 H new ATOM 0 HB3 GLN A 125 -6.473 11.740 8.230 1.00 0.00 H new ATOM 0 HG2 GLN A 125 -8.116 10.318 9.208 1.00 0.00 H new ATOM 0 HG3 GLN A 125 -7.521 10.605 10.831 1.00 0.00 H new ATOM 0 HE21 GLN A 125 -8.072 12.658 11.827 1.00 0.00 H new ATOM 0 HE22 GLN A 125 -9.376 13.642 11.154 1.00 0.00 H new ATOM 634 N ASP A 126 -5.422 8.107 9.241 1.00 0.00 N ATOM 635 CA ASP A 126 -5.554 6.812 8.557 1.00 0.00 C ATOM 636 C ASP A 126 -6.900 6.694 7.820 1.00 0.00 C ATOM 637 O ASP A 126 -7.142 5.745 7.074 1.00 0.00 O ATOM 638 CB ASP A 126 -5.401 5.688 9.593 1.00 0.00 C ATOM 639 CG ASP A 126 -5.440 4.286 9.005 1.00 0.00 C ATOM 640 OD1 ASP A 126 -4.560 3.943 8.190 1.00 0.00 O ATOM 641 OD2 ASP A 126 -6.320 3.498 9.408 1.00 0.00 O ATOM 0 H ASP A 126 -5.302 8.027 10.251 1.00 0.00 H new ATOM 0 HA ASP A 126 -4.772 6.729 7.803 1.00 0.00 H new ATOM 0 HB2 ASP A 126 -4.457 5.822 10.121 1.00 0.00 H new ATOM 0 HB3 ASP A 126 -6.196 5.781 10.333 1.00 0.00 H new ATOM 646 N ASP A 127 -7.764 7.681 8.022 1.00 0.00 N ATOM 647 CA ASP A 127 -9.075 7.700 7.391 1.00 0.00 C ATOM 648 C ASP A 127 -9.076 8.545 6.117 1.00 0.00 C ATOM 649 O ASP A 127 -9.969 8.401 5.284 1.00 0.00 O ATOM 650 CB ASP A 127 -10.124 8.247 8.360 1.00 0.00 C ATOM 651 CG ASP A 127 -10.258 7.405 9.610 1.00 0.00 C ATOM 652 OD1 ASP A 127 -9.509 7.654 10.575 1.00 0.00 O ATOM 653 OD2 ASP A 127 -11.122 6.506 9.642 1.00 0.00 O ATOM 0 H ASP A 127 -7.577 8.484 8.623 1.00 0.00 H new ATOM 0 HA ASP A 127 -9.320 6.672 7.123 1.00 0.00 H new ATOM 0 HB2 ASP A 127 -9.858 9.266 8.640 1.00 0.00 H new ATOM 0 HB3 ASP A 127 -11.089 8.297 7.855 1.00 0.00 H new ATOM 658 N LEU A 128 -8.088 9.432 5.965 1.00 0.00 N ATOM 659 CA LEU A 128 -8.065 10.333 4.817 1.00 0.00 C ATOM 660 C LEU A 128 -7.554 9.634 3.561 1.00 0.00 C ATOM 661 O LEU A 128 -8.077 9.846 2.465 1.00 0.00 O ATOM 662 CB LEU A 128 -7.211 11.568 5.116 1.00 0.00 C ATOM 663 CG LEU A 128 -7.824 12.556 6.111 1.00 0.00 C ATOM 664 CD1 LEU A 128 -6.878 13.721 6.355 1.00 0.00 C ATOM 665 CD2 LEU A 128 -9.170 13.058 5.603 1.00 0.00 C ATOM 0 H LEU A 128 -7.307 9.542 6.612 1.00 0.00 H new ATOM 0 HA LEU A 128 -9.092 10.648 4.631 1.00 0.00 H new ATOM 0 HB2 LEU A 128 -6.246 11.239 5.502 1.00 0.00 H new ATOM 0 HB3 LEU A 128 -7.017 12.092 4.180 1.00 0.00 H new ATOM 0 HG LEU A 128 -7.984 12.039 7.057 1.00 0.00 H new ATOM 0 HD11 LEU A 128 -7.330 14.414 7.065 1.00 0.00 H new ATOM 0 HD12 LEU A 128 -5.938 13.347 6.761 1.00 0.00 H new ATOM 0 HD13 LEU A 128 -6.687 14.238 5.415 1.00 0.00 H new ATOM 0 HD21 LEU A 128 -9.592 13.760 6.323 1.00 0.00 H new ATOM 0 HD22 LEU A 128 -9.033 13.559 4.645 1.00 0.00 H new ATOM 0 HD23 LEU A 128 -9.849 12.215 5.478 1.00 0.00 H new ATOM 677 N PHE A 129 -6.540 8.793 3.710 1.00 0.00 N ATOM 678 CA PHE A 129 -5.966 8.127 2.554 1.00 0.00 C ATOM 679 C PHE A 129 -6.548 6.727 2.370 1.00 0.00 C ATOM 680 O PHE A 129 -6.106 5.754 2.977 1.00 0.00 O ATOM 681 CB PHE A 129 -4.426 8.109 2.615 1.00 0.00 C ATOM 682 CG PHE A 129 -3.817 7.450 3.829 1.00 0.00 C ATOM 683 CD1 PHE A 129 -3.750 8.118 5.043 1.00 0.00 C ATOM 684 CD2 PHE A 129 -3.287 6.171 3.745 1.00 0.00 C ATOM 685 CE1 PHE A 129 -3.173 7.520 6.147 1.00 0.00 C ATOM 686 CE2 PHE A 129 -2.706 5.569 4.846 1.00 0.00 C ATOM 687 CZ PHE A 129 -2.650 6.244 6.048 1.00 0.00 C ATOM 0 H PHE A 129 -6.106 8.560 4.603 1.00 0.00 H new ATOM 0 HA PHE A 129 -6.241 8.706 1.672 1.00 0.00 H new ATOM 0 HB2 PHE A 129 -4.053 7.601 1.726 1.00 0.00 H new ATOM 0 HB3 PHE A 129 -4.069 9.138 2.568 1.00 0.00 H new ATOM 0 HD1 PHE A 129 -4.153 9.116 5.126 1.00 0.00 H new ATOM 0 HD2 PHE A 129 -3.329 5.638 2.807 1.00 0.00 H new ATOM 0 HE1 PHE A 129 -3.131 8.049 7.087 1.00 0.00 H new ATOM 0 HE2 PHE A 129 -2.297 4.573 4.765 1.00 0.00 H new ATOM 0 HZ PHE A 129 -2.198 5.776 6.910 1.00 0.00 H new ATOM 697 N TRP A 130 -7.571 6.647 1.534 1.00 0.00 N ATOM 698 CA TRP A 130 -8.183 5.376 1.190 1.00 0.00 C ATOM 699 C TRP A 130 -7.486 4.797 -0.032 1.00 0.00 C ATOM 700 O TRP A 130 -7.870 5.054 -1.170 1.00 0.00 O ATOM 701 CB TRP A 130 -9.686 5.555 0.935 1.00 0.00 C ATOM 702 CG TRP A 130 -10.384 4.318 0.441 1.00 0.00 C ATOM 703 CD1 TRP A 130 -10.501 3.120 1.091 1.00 0.00 C ATOM 704 CD2 TRP A 130 -11.077 4.167 -0.803 1.00 0.00 C ATOM 705 NE1 TRP A 130 -11.226 2.240 0.329 1.00 0.00 N ATOM 706 CE2 TRP A 130 -11.590 2.856 -0.839 1.00 0.00 C ATOM 707 CE3 TRP A 130 -11.312 5.011 -1.890 1.00 0.00 C ATOM 708 CZ2 TRP A 130 -12.324 2.373 -1.917 1.00 0.00 C ATOM 709 CZ3 TRP A 130 -12.042 4.531 -2.962 1.00 0.00 C ATOM 710 CH2 TRP A 130 -12.541 3.222 -2.968 1.00 0.00 C ATOM 0 H TRP A 130 -7.997 7.454 1.079 1.00 0.00 H new ATOM 0 HA TRP A 130 -8.070 4.681 2.022 1.00 0.00 H new ATOM 0 HB2 TRP A 130 -10.163 5.882 1.859 1.00 0.00 H new ATOM 0 HB3 TRP A 130 -9.826 6.352 0.205 1.00 0.00 H new ATOM 0 HD1 TRP A 130 -10.083 2.899 2.062 1.00 0.00 H new ATOM 0 HE1 TRP A 130 -11.457 1.281 0.590 1.00 0.00 H new ATOM 0 HE3 TRP A 130 -10.930 6.021 -1.894 1.00 0.00 H new ATOM 0 HZ2 TRP A 130 -12.709 1.364 -1.924 1.00 0.00 H new ATOM 0 HZ3 TRP A 130 -12.230 5.175 -3.808 1.00 0.00 H new ATOM 0 HH2 TRP A 130 -13.108 2.876 -3.819 1.00 0.00 H new ATOM 721 N LEU A 131 -6.426 4.058 0.202 1.00 0.00 N ATOM 722 CA LEU A 131 -5.647 3.516 -0.895 1.00 0.00 C ATOM 723 C LEU A 131 -6.204 2.168 -1.335 1.00 0.00 C ATOM 724 O LEU A 131 -6.617 1.349 -0.513 1.00 0.00 O ATOM 725 CB LEU A 131 -4.157 3.390 -0.525 1.00 0.00 C ATOM 726 CG LEU A 131 -3.777 2.262 0.449 1.00 0.00 C ATOM 727 CD1 LEU A 131 -2.270 2.071 0.464 1.00 0.00 C ATOM 728 CD2 LEU A 131 -4.272 2.554 1.863 1.00 0.00 C ATOM 0 H LEU A 131 -6.083 3.818 1.132 1.00 0.00 H new ATOM 0 HA LEU A 131 -5.723 4.214 -1.728 1.00 0.00 H new ATOM 0 HB2 LEU A 131 -3.589 3.250 -1.445 1.00 0.00 H new ATOM 0 HB3 LEU A 131 -3.833 4.336 -0.092 1.00 0.00 H new ATOM 0 HG LEU A 131 -4.258 1.348 0.102 1.00 0.00 H new ATOM 0 HD11 LEU A 131 -2.012 1.270 1.157 1.00 0.00 H new ATOM 0 HD12 LEU A 131 -1.926 1.810 -0.537 1.00 0.00 H new ATOM 0 HD13 LEU A 131 -1.789 2.996 0.783 1.00 0.00 H new ATOM 0 HD21 LEU A 131 -3.986 1.736 2.525 1.00 0.00 H new ATOM 0 HD22 LEU A 131 -3.826 3.483 2.220 1.00 0.00 H new ATOM 0 HD23 LEU A 131 -5.358 2.652 1.856 1.00 0.00 H new ATOM 740 N THR A 132 -6.230 1.954 -2.640 1.00 0.00 N ATOM 741 CA THR A 132 -6.729 0.718 -3.208 1.00 0.00 C ATOM 742 C THR A 132 -6.033 0.430 -4.529 1.00 0.00 C ATOM 743 O THR A 132 -5.467 1.328 -5.151 1.00 0.00 O ATOM 744 CB THR A 132 -8.264 0.759 -3.400 1.00 0.00 C ATOM 745 OG1 THR A 132 -8.698 -0.289 -4.273 1.00 0.00 O ATOM 746 CG2 THR A 132 -8.728 2.109 -3.930 1.00 0.00 C ATOM 0 H THR A 132 -5.907 2.631 -3.331 1.00 0.00 H new ATOM 0 HA THR A 132 -6.508 -0.087 -2.507 1.00 0.00 H new ATOM 0 HB THR A 132 -8.716 0.609 -2.419 1.00 0.00 H new ATOM 0 HG1 THR A 132 -9.640 -0.152 -4.506 1.00 0.00 H new ATOM 0 HG21 THR A 132 -9.811 2.099 -4.052 1.00 0.00 H new ATOM 0 HG22 THR A 132 -8.449 2.892 -3.225 1.00 0.00 H new ATOM 0 HG23 THR A 132 -8.256 2.303 -4.893 1.00 0.00 H new ATOM 754 N PHE A 133 -6.069 -0.821 -4.944 1.00 0.00 N ATOM 755 CA PHE A 133 -5.354 -1.247 -6.137 1.00 0.00 C ATOM 756 C PHE A 133 -6.290 -1.418 -7.333 1.00 0.00 C ATOM 757 O PHE A 133 -6.312 -0.589 -8.240 1.00 0.00 O ATOM 758 CB PHE A 133 -4.583 -2.548 -5.859 1.00 0.00 C ATOM 759 CG PHE A 133 -4.171 -3.273 -7.110 1.00 0.00 C ATOM 760 CD1 PHE A 133 -3.345 -2.667 -8.040 1.00 0.00 C ATOM 761 CD2 PHE A 133 -4.652 -4.546 -7.372 1.00 0.00 C ATOM 762 CE1 PHE A 133 -3.004 -3.319 -9.206 1.00 0.00 C ATOM 763 CE2 PHE A 133 -4.321 -5.199 -8.540 1.00 0.00 C ATOM 764 CZ PHE A 133 -3.496 -4.586 -9.457 1.00 0.00 C ATOM 0 H PHE A 133 -6.586 -1.564 -4.473 1.00 0.00 H new ATOM 0 HA PHE A 133 -4.643 -0.462 -6.395 1.00 0.00 H new ATOM 0 HB2 PHE A 133 -3.694 -2.317 -5.272 1.00 0.00 H new ATOM 0 HB3 PHE A 133 -5.204 -3.208 -5.253 1.00 0.00 H new ATOM 0 HD1 PHE A 133 -2.964 -1.674 -7.851 1.00 0.00 H new ATOM 0 HD2 PHE A 133 -5.294 -5.032 -6.652 1.00 0.00 H new ATOM 0 HE1 PHE A 133 -2.353 -2.840 -9.923 1.00 0.00 H new ATOM 0 HE2 PHE A 133 -4.707 -6.188 -8.736 1.00 0.00 H new ATOM 0 HZ PHE A 133 -3.234 -5.096 -10.372 1.00 0.00 H new ATOM 774 N GLU A 134 -7.064 -2.491 -7.322 1.00 0.00 N ATOM 775 CA GLU A 134 -7.870 -2.865 -8.476 1.00 0.00 C ATOM 776 C GLU A 134 -9.318 -2.392 -8.302 1.00 0.00 C ATOM 777 O GLU A 134 -10.237 -2.906 -8.939 1.00 0.00 O ATOM 778 CB GLU A 134 -7.828 -4.387 -8.663 1.00 0.00 C ATOM 779 CG GLU A 134 -8.241 -4.847 -10.053 1.00 0.00 C ATOM 780 CD GLU A 134 -7.425 -4.182 -11.144 1.00 0.00 C ATOM 781 OE1 GLU A 134 -6.267 -4.589 -11.354 1.00 0.00 O ATOM 782 OE2 GLU A 134 -7.944 -3.252 -11.800 1.00 0.00 O ATOM 0 H GLU A 134 -7.152 -3.121 -6.525 1.00 0.00 H new ATOM 0 HA GLU A 134 -7.459 -2.382 -9.363 1.00 0.00 H new ATOM 0 HB2 GLU A 134 -6.817 -4.741 -8.459 1.00 0.00 H new ATOM 0 HB3 GLU A 134 -8.484 -4.852 -7.927 1.00 0.00 H new ATOM 0 HG2 GLU A 134 -8.126 -5.929 -10.125 1.00 0.00 H new ATOM 0 HG3 GLU A 134 -9.297 -4.627 -10.207 1.00 0.00 H new ATOM 789 N GLY A 135 -9.513 -1.403 -7.439 1.00 0.00 N ATOM 790 CA GLY A 135 -10.857 -0.946 -7.136 1.00 0.00 C ATOM 791 C GLY A 135 -11.430 -1.665 -5.932 1.00 0.00 C ATOM 792 O GLY A 135 -12.614 -1.548 -5.621 1.00 0.00 O ATOM 0 H GLY A 135 -8.769 -0.911 -6.945 1.00 0.00 H new ATOM 0 HA2 GLY A 135 -10.843 0.127 -6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 135 -11.501 -1.110 -8.000 1.00 0.00 H new ATOM 796 N LYS A 136 -10.577 -2.419 -5.262 1.00 0.00 N ATOM 797 CA LYS A 136 -10.961 -3.151 -4.068 1.00 0.00 C ATOM 798 C LYS A 136 -10.051 -2.706 -2.929 1.00 0.00 C ATOM 799 O LYS A 136 -8.829 -2.778 -3.056 1.00 0.00 O ATOM 800 CB LYS A 136 -10.844 -4.664 -4.338 1.00 0.00 C ATOM 801 CG LYS A 136 -11.456 -5.566 -3.267 1.00 0.00 C ATOM 802 CD LYS A 136 -10.498 -5.813 -2.112 1.00 0.00 C ATOM 803 CE LYS A 136 -11.087 -6.779 -1.092 1.00 0.00 C ATOM 804 NZ LYS A 136 -10.151 -7.040 0.036 1.00 0.00 N ATOM 0 H LYS A 136 -9.600 -2.541 -5.529 1.00 0.00 H new ATOM 0 HA LYS A 136 -11.995 -2.946 -3.792 1.00 0.00 H new ATOM 0 HB2 LYS A 136 -11.322 -4.884 -5.292 1.00 0.00 H new ATOM 0 HB3 LYS A 136 -9.789 -4.917 -4.444 1.00 0.00 H new ATOM 0 HG2 LYS A 136 -12.370 -5.109 -2.888 1.00 0.00 H new ATOM 0 HG3 LYS A 136 -11.738 -6.519 -3.714 1.00 0.00 H new ATOM 0 HD2 LYS A 136 -9.560 -6.215 -2.496 1.00 0.00 H new ATOM 0 HD3 LYS A 136 -10.263 -4.867 -1.625 1.00 0.00 H new ATOM 0 HE2 LYS A 136 -12.019 -6.370 -0.702 1.00 0.00 H new ATOM 0 HE3 LYS A 136 -11.333 -7.720 -1.584 1.00 0.00 H new ATOM 0 HZ1 LYS A 136 -10.531 -7.801 0.634 1.00 0.00 H new ATOM 0 HZ2 LYS A 136 -9.225 -7.326 -0.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 136 -10.042 -6.176 0.604 1.00 0.00 H new ATOM 818 N PRO A 137 -10.627 -2.194 -1.829 1.00 0.00 N ATOM 819 CA PRO A 137 -9.853 -1.657 -0.703 1.00 0.00 C ATOM 820 C PRO A 137 -8.919 -2.697 -0.095 1.00 0.00 C ATOM 821 O PRO A 137 -9.175 -3.898 -0.172 1.00 0.00 O ATOM 822 CB PRO A 137 -10.916 -1.221 0.312 1.00 0.00 C ATOM 823 CG PRO A 137 -12.185 -1.117 -0.466 1.00 0.00 C ATOM 824 CD PRO A 137 -12.073 -2.107 -1.592 1.00 0.00 C ATOM 0 HA PRO A 137 -9.203 -0.840 -1.017 1.00 0.00 H new ATOM 0 HB2 PRO A 137 -11.009 -1.946 1.120 1.00 0.00 H new ATOM 0 HB3 PRO A 137 -10.655 -0.266 0.769 1.00 0.00 H new ATOM 0 HG2 PRO A 137 -13.046 -1.340 0.164 1.00 0.00 H new ATOM 0 HG3 PRO A 137 -12.324 -0.106 -0.850 1.00 0.00 H new ATOM 0 HD2 PRO A 137 -12.494 -3.075 -1.319 1.00 0.00 H new ATOM 0 HD3 PRO A 137 -12.606 -1.767 -2.480 1.00 0.00 H new ATOM 832 N LEU A 138 -7.831 -2.234 0.498 1.00 0.00 N ATOM 833 CA LEU A 138 -6.810 -3.135 1.004 1.00 0.00 C ATOM 834 C LEU A 138 -6.893 -3.268 2.522 1.00 0.00 C ATOM 835 O LEU A 138 -6.389 -2.413 3.253 1.00 0.00 O ATOM 836 CB LEU A 138 -5.415 -2.636 0.604 1.00 0.00 C ATOM 837 CG LEU A 138 -5.231 -2.308 -0.882 1.00 0.00 C ATOM 838 CD1 LEU A 138 -3.812 -1.832 -1.150 1.00 0.00 C ATOM 839 CD2 LEU A 138 -5.556 -3.518 -1.745 1.00 0.00 C ATOM 0 H LEU A 138 -7.633 -1.244 0.640 1.00 0.00 H new ATOM 0 HA LEU A 138 -6.984 -4.117 0.563 1.00 0.00 H new ATOM 0 HB2 LEU A 138 -5.187 -1.743 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 138 -4.683 -3.394 0.884 1.00 0.00 H new ATOM 0 HG LEU A 138 -5.922 -1.506 -1.142 1.00 0.00 H new ATOM 0 HD11 LEU A 138 -3.699 -1.604 -2.210 1.00 0.00 H new ATOM 0 HD12 LEU A 138 -3.612 -0.936 -0.562 1.00 0.00 H new ATOM 0 HD13 LEU A 138 -3.107 -2.615 -0.870 1.00 0.00 H new ATOM 0 HD21 LEU A 138 -5.419 -3.263 -2.796 1.00 0.00 H new ATOM 0 HD22 LEU A 138 -4.892 -4.341 -1.482 1.00 0.00 H new ATOM 0 HD23 LEU A 138 -6.590 -3.818 -1.577 1.00 0.00 H new ATOM 851 N GLU A 139 -7.554 -4.321 2.992 1.00 0.00 N ATOM 852 CA GLU A 139 -7.572 -4.621 4.418 1.00 0.00 C ATOM 853 C GLU A 139 -6.160 -4.943 4.896 1.00 0.00 C ATOM 854 O GLU A 139 -5.443 -5.714 4.257 1.00 0.00 O ATOM 855 CB GLU A 139 -8.507 -5.791 4.740 1.00 0.00 C ATOM 856 CG GLU A 139 -9.977 -5.514 4.465 1.00 0.00 C ATOM 857 CD GLU A 139 -10.418 -5.968 3.090 1.00 0.00 C ATOM 858 OE1 GLU A 139 -10.007 -5.351 2.089 1.00 0.00 O ATOM 859 OE2 GLU A 139 -11.181 -6.952 3.001 1.00 0.00 O ATOM 0 H GLU A 139 -8.080 -4.975 2.412 1.00 0.00 H new ATOM 0 HA GLU A 139 -7.947 -3.740 4.939 1.00 0.00 H new ATOM 0 HB2 GLU A 139 -8.198 -6.658 4.157 1.00 0.00 H new ATOM 0 HB3 GLU A 139 -8.390 -6.055 5.791 1.00 0.00 H new ATOM 0 HG2 GLU A 139 -10.583 -6.017 5.219 1.00 0.00 H new ATOM 0 HG3 GLU A 139 -10.165 -4.445 4.566 1.00 0.00 H new ATOM 866 N ASP A 140 -5.776 -4.363 6.028 1.00 0.00 N ATOM 867 CA ASP A 140 -4.414 -4.489 6.541 1.00 0.00 C ATOM 868 C ASP A 140 -4.081 -5.925 6.939 1.00 0.00 C ATOM 869 O ASP A 140 -2.913 -6.309 6.978 1.00 0.00 O ATOM 870 CB ASP A 140 -4.197 -3.558 7.734 1.00 0.00 C ATOM 871 CG ASP A 140 -5.060 -3.910 8.933 1.00 0.00 C ATOM 872 OD1 ASP A 140 -6.227 -3.469 8.974 1.00 0.00 O ATOM 873 OD2 ASP A 140 -4.576 -4.621 9.839 1.00 0.00 O ATOM 0 H ASP A 140 -6.392 -3.797 6.612 1.00 0.00 H new ATOM 0 HA ASP A 140 -3.743 -4.201 5.732 1.00 0.00 H new ATOM 0 HB2 ASP A 140 -3.148 -3.592 8.027 1.00 0.00 H new ATOM 0 HB3 ASP A 140 -4.410 -2.533 7.430 1.00 0.00 H new ATOM 878 N GLN A 141 -5.109 -6.715 7.212 1.00 0.00 N ATOM 879 CA GLN A 141 -4.920 -8.087 7.663 1.00 0.00 C ATOM 880 C GLN A 141 -4.664 -9.028 6.482 1.00 0.00 C ATOM 881 O GLN A 141 -4.287 -10.183 6.667 1.00 0.00 O ATOM 882 CB GLN A 141 -6.155 -8.544 8.444 1.00 0.00 C ATOM 883 CG GLN A 141 -5.959 -9.849 9.202 1.00 0.00 C ATOM 884 CD GLN A 141 -7.211 -10.299 9.928 1.00 0.00 C ATOM 885 OE1 GLN A 141 -8.372 -10.017 9.353 1.00 0.00 O flip ATOM 886 NE2 GLN A 141 -7.137 -10.914 10.990 1.00 0.00 N flip ATOM 0 H GLN A 141 -6.085 -6.429 7.129 1.00 0.00 H new ATOM 0 HA GLN A 141 -4.045 -8.120 8.312 1.00 0.00 H new ATOM 0 HB2 GLN A 141 -6.435 -7.763 9.151 1.00 0.00 H new ATOM 0 HB3 GLN A 141 -6.988 -8.660 7.751 1.00 0.00 H new ATOM 0 HG2 GLN A 141 -5.650 -10.627 8.504 1.00 0.00 H new ATOM 0 HG3 GLN A 141 -5.150 -9.728 9.923 1.00 0.00 H new ATOM 0 HE21 GLN A 141 -6.225 -11.112 11.402 1.00 0.00 H new ATOM 0 HE22 GLN A 141 -7.987 -11.226 11.459 1.00 0.00 H new ATOM 895 N LEU A 142 -4.862 -8.526 5.274 1.00 0.00 N ATOM 896 CA LEU A 142 -4.716 -9.347 4.080 1.00 0.00 C ATOM 897 C LEU A 142 -3.287 -9.287 3.547 1.00 0.00 C ATOM 898 O LEU A 142 -2.554 -8.341 3.832 1.00 0.00 O ATOM 899 CB LEU A 142 -5.703 -8.894 2.999 1.00 0.00 C ATOM 900 CG LEU A 142 -7.181 -9.042 3.365 1.00 0.00 C ATOM 901 CD1 LEU A 142 -8.055 -8.623 2.196 1.00 0.00 C ATOM 902 CD2 LEU A 142 -7.493 -10.473 3.784 1.00 0.00 C ATOM 0 H LEU A 142 -5.124 -7.557 5.093 1.00 0.00 H new ATOM 0 HA LEU A 142 -4.936 -10.380 4.350 1.00 0.00 H new ATOM 0 HB2 LEU A 142 -5.506 -7.848 2.765 1.00 0.00 H new ATOM 0 HB3 LEU A 142 -5.511 -9.466 2.091 1.00 0.00 H new ATOM 0 HG LEU A 142 -7.395 -8.389 4.211 1.00 0.00 H new ATOM 0 HD11 LEU A 142 -9.105 -8.733 2.469 1.00 0.00 H new ATOM 0 HD12 LEU A 142 -7.852 -7.582 1.945 1.00 0.00 H new ATOM 0 HD13 LEU A 142 -7.836 -9.253 1.334 1.00 0.00 H new ATOM 0 HD21 LEU A 142 -8.549 -10.555 4.040 1.00 0.00 H new ATOM 0 HD22 LEU A 142 -7.265 -11.151 2.961 1.00 0.00 H new ATOM 0 HD23 LEU A 142 -6.888 -10.738 4.651 1.00 0.00 H new ATOM 914 N PRO A 143 -2.870 -10.306 2.779 1.00 0.00 N ATOM 915 CA PRO A 143 -1.543 -10.351 2.169 1.00 0.00 C ATOM 916 C PRO A 143 -1.441 -9.412 0.972 1.00 0.00 C ATOM 917 O PRO A 143 -2.276 -9.448 0.065 1.00 0.00 O ATOM 918 CB PRO A 143 -1.386 -11.811 1.716 1.00 0.00 C ATOM 919 CG PRO A 143 -2.581 -12.537 2.243 1.00 0.00 C ATOM 920 CD PRO A 143 -3.648 -11.500 2.439 1.00 0.00 C ATOM 0 HA PRO A 143 -0.767 -10.032 2.865 1.00 0.00 H new ATOM 0 HB2 PRO A 143 -1.336 -11.879 0.629 1.00 0.00 H new ATOM 0 HB3 PRO A 143 -0.464 -12.243 2.105 1.00 0.00 H new ATOM 0 HG2 PRO A 143 -2.909 -13.306 1.543 1.00 0.00 H new ATOM 0 HG3 PRO A 143 -2.349 -13.039 3.182 1.00 0.00 H new ATOM 0 HD2 PRO A 143 -4.243 -11.354 1.537 1.00 0.00 H new ATOM 0 HD3 PRO A 143 -4.339 -11.774 3.236 1.00 0.00 H new ATOM 928 N LEU A 144 -0.413 -8.577 0.975 1.00 0.00 N ATOM 929 CA LEU A 144 -0.222 -7.582 -0.075 1.00 0.00 C ATOM 930 C LEU A 144 -0.019 -8.242 -1.434 1.00 0.00 C ATOM 931 O LEU A 144 -0.502 -7.743 -2.453 1.00 0.00 O ATOM 932 CB LEU A 144 0.981 -6.702 0.272 1.00 0.00 C ATOM 933 CG LEU A 144 1.029 -5.326 -0.409 1.00 0.00 C ATOM 934 CD1 LEU A 144 1.933 -4.394 0.371 1.00 0.00 C ATOM 935 CD2 LEU A 144 1.530 -5.430 -1.840 1.00 0.00 C ATOM 0 H LEU A 144 0.307 -8.567 1.697 1.00 0.00 H new ATOM 0 HA LEU A 144 -1.120 -6.967 -0.137 1.00 0.00 H new ATOM 0 HB2 LEU A 144 0.996 -6.552 1.351 1.00 0.00 H new ATOM 0 HB3 LEU A 144 1.890 -7.245 0.013 1.00 0.00 H new ATOM 0 HG LEU A 144 0.014 -4.930 -0.428 1.00 0.00 H new ATOM 0 HD11 LEU A 144 1.961 -3.421 -0.119 1.00 0.00 H new ATOM 0 HD12 LEU A 144 1.550 -4.279 1.385 1.00 0.00 H new ATOM 0 HD13 LEU A 144 2.940 -4.811 0.409 1.00 0.00 H new ATOM 0 HD21 LEU A 144 1.551 -4.438 -2.291 1.00 0.00 H new ATOM 0 HD22 LEU A 144 2.535 -5.852 -1.844 1.00 0.00 H new ATOM 0 HD23 LEU A 144 0.864 -6.075 -2.413 1.00 0.00 H new ATOM 947 N GLY A 145 0.679 -9.374 -1.437 1.00 0.00 N ATOM 948 CA GLY A 145 1.011 -10.068 -2.670 1.00 0.00 C ATOM 949 C GLY A 145 -0.177 -10.340 -3.576 1.00 0.00 C ATOM 950 O GLY A 145 -0.021 -10.400 -4.794 1.00 0.00 O ATOM 0 H GLY A 145 1.026 -9.829 -0.593 1.00 0.00 H new ATOM 0 HA2 GLY A 145 1.744 -9.477 -3.219 1.00 0.00 H new ATOM 0 HA3 GLY A 145 1.488 -11.016 -2.422 1.00 0.00 H new ATOM 954 N GLU A 146 -1.361 -10.492 -2.994 1.00 0.00 N ATOM 955 CA GLU A 146 -2.559 -10.783 -3.777 1.00 0.00 C ATOM 956 C GLU A 146 -2.846 -9.647 -4.757 1.00 0.00 C ATOM 957 O GLU A 146 -3.255 -9.876 -5.896 1.00 0.00 O ATOM 958 CB GLU A 146 -3.763 -10.997 -2.855 1.00 0.00 C ATOM 959 CG GLU A 146 -4.992 -11.538 -3.572 1.00 0.00 C ATOM 960 CD GLU A 146 -6.188 -11.697 -2.658 1.00 0.00 C ATOM 961 OE1 GLU A 146 -6.223 -12.679 -1.883 1.00 0.00 O ATOM 962 OE2 GLU A 146 -7.105 -10.856 -2.724 1.00 0.00 O ATOM 0 H GLU A 146 -1.518 -10.419 -1.989 1.00 0.00 H new ATOM 0 HA GLU A 146 -2.384 -11.698 -4.343 1.00 0.00 H new ATOM 0 HB2 GLU A 146 -3.483 -11.688 -2.060 1.00 0.00 H new ATOM 0 HB3 GLU A 146 -4.018 -10.050 -2.379 1.00 0.00 H new ATOM 0 HG2 GLU A 146 -5.254 -10.867 -4.390 1.00 0.00 H new ATOM 0 HG3 GLU A 146 -4.751 -12.503 -4.017 1.00 0.00 H new ATOM 969 N TYR A 147 -2.612 -8.421 -4.308 1.00 0.00 N ATOM 970 CA TYR A 147 -2.880 -7.237 -5.117 1.00 0.00 C ATOM 971 C TYR A 147 -1.596 -6.694 -5.742 1.00 0.00 C ATOM 972 O TYR A 147 -1.601 -6.162 -6.855 1.00 0.00 O ATOM 973 CB TYR A 147 -3.532 -6.153 -4.253 1.00 0.00 C ATOM 974 CG TYR A 147 -4.706 -6.646 -3.439 1.00 0.00 C ATOM 975 CD1 TYR A 147 -5.952 -6.838 -4.021 1.00 0.00 C ATOM 976 CD2 TYR A 147 -4.564 -6.922 -2.083 1.00 0.00 C ATOM 977 CE1 TYR A 147 -7.024 -7.289 -3.275 1.00 0.00 C ATOM 978 CE2 TYR A 147 -5.630 -7.372 -1.333 1.00 0.00 C ATOM 979 CZ TYR A 147 -6.858 -7.552 -1.932 1.00 0.00 C ATOM 980 OH TYR A 147 -7.922 -8.002 -1.186 1.00 0.00 O ATOM 0 H TYR A 147 -2.235 -8.219 -3.382 1.00 0.00 H new ATOM 0 HA TYR A 147 -3.558 -7.522 -5.921 1.00 0.00 H new ATOM 0 HB2 TYR A 147 -2.782 -5.739 -3.578 1.00 0.00 H new ATOM 0 HB3 TYR A 147 -3.865 -5.339 -4.897 1.00 0.00 H new ATOM 0 HD1 TYR A 147 -6.085 -6.632 -5.073 1.00 0.00 H new ATOM 0 HD2 TYR A 147 -3.603 -6.782 -1.610 1.00 0.00 H new ATOM 0 HE1 TYR A 147 -7.987 -7.435 -3.742 1.00 0.00 H new ATOM 0 HE2 TYR A 147 -5.503 -7.582 -0.281 1.00 0.00 H new ATOM 0 HH TYR A 147 -7.708 -8.880 -0.807 1.00 0.00 H new ATOM 990 N GLY A 148 -0.496 -6.843 -5.020 1.00 0.00 N ATOM 991 CA GLY A 148 0.756 -6.232 -5.419 1.00 0.00 C ATOM 992 C GLY A 148 1.678 -7.167 -6.175 1.00 0.00 C ATOM 993 O GLY A 148 2.815 -6.808 -6.445 1.00 0.00 O ATOM 0 H GLY A 148 -0.448 -7.382 -4.155 1.00 0.00 H new ATOM 0 HA2 GLY A 148 0.543 -5.363 -6.042 1.00 0.00 H new ATOM 0 HA3 GLY A 148 1.272 -5.868 -4.530 1.00 0.00 H new ATOM 997 N LEU A 149 1.195 -8.372 -6.493 1.00 0.00 N ATOM 998 CA LEU A 149 1.998 -9.401 -7.179 1.00 0.00 C ATOM 999 C LEU A 149 2.775 -8.858 -8.390 1.00 0.00 C ATOM 1000 O LEU A 149 3.810 -9.412 -8.770 1.00 0.00 O ATOM 1001 CB LEU A 149 1.109 -10.568 -7.635 1.00 0.00 C ATOM 1002 CG LEU A 149 0.157 -10.281 -8.808 1.00 0.00 C ATOM 1003 CD1 LEU A 149 -0.431 -11.578 -9.334 1.00 0.00 C ATOM 1004 CD2 LEU A 149 -0.964 -9.338 -8.396 1.00 0.00 C ATOM 0 H LEU A 149 0.240 -8.665 -6.285 1.00 0.00 H new ATOM 0 HA LEU A 149 2.729 -9.745 -6.447 1.00 0.00 H new ATOM 0 HB2 LEU A 149 1.754 -11.401 -7.914 1.00 0.00 H new ATOM 0 HB3 LEU A 149 0.513 -10.897 -6.784 1.00 0.00 H new ATOM 0 HG LEU A 149 0.736 -9.798 -9.595 1.00 0.00 H new ATOM 0 HD11 LEU A 149 -1.103 -11.362 -10.164 1.00 0.00 H new ATOM 0 HD12 LEU A 149 0.373 -12.229 -9.678 1.00 0.00 H new ATOM 0 HD13 LEU A 149 -0.985 -12.075 -8.538 1.00 0.00 H new ATOM 0 HD21 LEU A 149 -1.618 -9.156 -9.249 1.00 0.00 H new ATOM 0 HD22 LEU A 149 -1.539 -9.788 -7.587 1.00 0.00 H new ATOM 0 HD23 LEU A 149 -0.539 -8.393 -8.057 1.00 0.00 H new ATOM 1016 N LYS A 150 2.280 -7.788 -8.993 1.00 0.00 N ATOM 1017 CA LYS A 150 2.931 -7.202 -10.155 1.00 0.00 C ATOM 1018 C LYS A 150 3.816 -6.033 -9.734 1.00 0.00 C ATOM 1019 O LYS A 150 3.389 -5.175 -8.964 1.00 0.00 O ATOM 1020 CB LYS A 150 1.886 -6.713 -11.162 1.00 0.00 C ATOM 1021 CG LYS A 150 0.940 -7.799 -11.647 1.00 0.00 C ATOM 1022 CD LYS A 150 -0.117 -7.228 -12.575 1.00 0.00 C ATOM 1023 CE LYS A 150 -1.058 -8.304 -13.092 1.00 0.00 C ATOM 1024 NZ LYS A 150 -0.345 -9.327 -13.901 1.00 0.00 N ATOM 0 H LYS A 150 1.430 -7.308 -8.697 1.00 0.00 H new ATOM 0 HA LYS A 150 3.548 -7.969 -10.623 1.00 0.00 H new ATOM 0 HB2 LYS A 150 1.302 -5.914 -10.705 1.00 0.00 H new ATOM 0 HB3 LYS A 150 2.399 -6.281 -12.022 1.00 0.00 H new ATOM 0 HG2 LYS A 150 1.505 -8.573 -12.167 1.00 0.00 H new ATOM 0 HG3 LYS A 150 0.459 -8.275 -10.792 1.00 0.00 H new ATOM 0 HD2 LYS A 150 -0.691 -6.467 -12.047 1.00 0.00 H new ATOM 0 HD3 LYS A 150 0.368 -6.734 -13.417 1.00 0.00 H new ATOM 0 HE2 LYS A 150 -1.552 -8.788 -12.250 1.00 0.00 H new ATOM 0 HE3 LYS A 150 -1.838 -7.843 -13.697 1.00 0.00 H new ATOM 0 HZ1 LYS A 150 -1.038 -9.910 -14.412 1.00 0.00 H new ATOM 0 HZ2 LYS A 150 0.281 -8.855 -14.584 1.00 0.00 H new ATOM 0 HZ3 LYS A 150 0.221 -9.933 -13.274 1.00 0.00 H new ATOM 1038 N PRO A 151 5.057 -5.968 -10.247 1.00 0.00 N ATOM 1039 CA PRO A 151 5.975 -4.849 -9.981 1.00 0.00 C ATOM 1040 C PRO A 151 5.490 -3.548 -10.625 1.00 0.00 C ATOM 1041 O PRO A 151 6.148 -2.511 -10.555 1.00 0.00 O ATOM 1042 CB PRO A 151 7.300 -5.302 -10.615 1.00 0.00 C ATOM 1043 CG PRO A 151 7.138 -6.763 -10.876 1.00 0.00 C ATOM 1044 CD PRO A 151 5.675 -6.979 -11.114 1.00 0.00 C ATOM 0 HA PRO A 151 6.058 -4.634 -8.916 1.00 0.00 H new ATOM 0 HB2 PRO A 151 7.499 -4.758 -11.538 1.00 0.00 H new ATOM 0 HB3 PRO A 151 8.140 -5.114 -9.946 1.00 0.00 H new ATOM 0 HG2 PRO A 151 7.724 -7.072 -11.741 1.00 0.00 H new ATOM 0 HG3 PRO A 151 7.487 -7.352 -10.028 1.00 0.00 H new ATOM 0 HD2 PRO A 151 5.409 -6.833 -12.161 1.00 0.00 H new ATOM 0 HD3 PRO A 151 5.365 -7.989 -10.844 1.00 0.00 H new ATOM 1052 N LEU A 152 4.326 -3.624 -11.255 1.00 0.00 N ATOM 1053 CA LEU A 152 3.721 -2.482 -11.910 1.00 0.00 C ATOM 1054 C LEU A 152 2.313 -2.255 -11.370 1.00 0.00 C ATOM 1055 O LEU A 152 1.544 -1.470 -11.931 1.00 0.00 O ATOM 1056 CB LEU A 152 3.676 -2.680 -13.436 1.00 0.00 C ATOM 1057 CG LEU A 152 2.894 -3.903 -13.937 1.00 0.00 C ATOM 1058 CD1 LEU A 152 2.424 -3.679 -15.365 1.00 0.00 C ATOM 1059 CD2 LEU A 152 3.748 -5.163 -13.868 1.00 0.00 C ATOM 0 H LEU A 152 3.778 -4.481 -11.324 1.00 0.00 H new ATOM 0 HA LEU A 152 4.332 -1.605 -11.699 1.00 0.00 H new ATOM 0 HB2 LEU A 152 3.241 -1.787 -13.885 1.00 0.00 H new ATOM 0 HB3 LEU A 152 4.700 -2.754 -13.802 1.00 0.00 H new ATOM 0 HG LEU A 152 2.027 -4.036 -13.290 1.00 0.00 H new ATOM 0 HD11 LEU A 152 1.871 -4.554 -15.708 1.00 0.00 H new ATOM 0 HD12 LEU A 152 1.776 -2.803 -15.402 1.00 0.00 H new ATOM 0 HD13 LEU A 152 3.287 -3.519 -16.011 1.00 0.00 H new ATOM 0 HD21 LEU A 152 3.170 -6.014 -14.228 1.00 0.00 H new ATOM 0 HD22 LEU A 152 4.634 -5.036 -14.490 1.00 0.00 H new ATOM 0 HD23 LEU A 152 4.051 -5.341 -12.836 1.00 0.00 H new ATOM 1071 N SER A 153 1.978 -2.945 -10.278 1.00 0.00 N ATOM 1072 CA SER A 153 0.681 -2.767 -9.639 1.00 0.00 C ATOM 1073 C SER A 153 0.513 -1.326 -9.179 1.00 0.00 C ATOM 1074 O SER A 153 1.191 -0.873 -8.255 1.00 0.00 O ATOM 1075 CB SER A 153 0.522 -3.721 -8.449 1.00 0.00 C ATOM 1076 OG SER A 153 0.376 -5.067 -8.878 1.00 0.00 O ATOM 0 H SER A 153 2.585 -3.627 -9.823 1.00 0.00 H new ATOM 0 HA SER A 153 -0.093 -2.999 -10.371 1.00 0.00 H new ATOM 0 HB2 SER A 153 1.391 -3.638 -7.796 1.00 0.00 H new ATOM 0 HB3 SER A 153 -0.348 -3.429 -7.861 1.00 0.00 H new ATOM 0 HG SER A 153 -0.252 -5.533 -8.287 1.00 0.00 H new ATOM 1082 N THR A 154 -0.374 -0.603 -9.843 1.00 0.00 N ATOM 1083 CA THR A 154 -0.587 0.793 -9.532 1.00 0.00 C ATOM 1084 C THR A 154 -1.567 0.937 -8.375 1.00 0.00 C ATOM 1085 O THR A 154 -2.779 0.799 -8.546 1.00 0.00 O ATOM 1086 CB THR A 154 -1.106 1.559 -10.760 1.00 0.00 C ATOM 1087 OG1 THR A 154 -0.274 1.267 -11.895 1.00 0.00 O ATOM 1088 CG2 THR A 154 -1.106 3.057 -10.508 1.00 0.00 C ATOM 0 H THR A 154 -0.956 -0.963 -10.600 1.00 0.00 H new ATOM 0 HA THR A 154 0.372 1.222 -9.240 1.00 0.00 H new ATOM 0 HB THR A 154 -2.130 1.241 -10.955 1.00 0.00 H new ATOM 0 HG1 THR A 154 -0.606 1.754 -12.678 1.00 0.00 H new ATOM 0 HG21 THR A 154 -1.478 3.575 -11.392 1.00 0.00 H new ATOM 0 HG22 THR A 154 -1.750 3.283 -9.658 1.00 0.00 H new ATOM 0 HG23 THR A 154 -0.091 3.390 -10.293 1.00 0.00 H new ATOM 1096 N VAL A 155 -1.030 1.191 -7.195 1.00 0.00 N ATOM 1097 CA VAL A 155 -1.852 1.374 -6.016 1.00 0.00 C ATOM 1098 C VAL A 155 -2.263 2.832 -5.902 1.00 0.00 C ATOM 1099 O VAL A 155 -1.423 3.717 -5.731 1.00 0.00 O ATOM 1100 CB VAL A 155 -1.116 0.939 -4.730 1.00 0.00 C ATOM 1101 CG1 VAL A 155 -2.012 1.094 -3.509 1.00 0.00 C ATOM 1102 CG2 VAL A 155 -0.629 -0.497 -4.859 1.00 0.00 C ATOM 0 H VAL A 155 -0.027 1.275 -7.029 1.00 0.00 H new ATOM 0 HA VAL A 155 -2.735 0.744 -6.123 1.00 0.00 H new ATOM 0 HB VAL A 155 -0.251 1.589 -4.596 1.00 0.00 H new ATOM 0 HG11 VAL A 155 -1.469 0.781 -2.617 1.00 0.00 H new ATOM 0 HG12 VAL A 155 -2.308 2.138 -3.405 1.00 0.00 H new ATOM 0 HG13 VAL A 155 -2.901 0.475 -3.629 1.00 0.00 H new ATOM 0 HG21 VAL A 155 -0.112 -0.789 -3.945 1.00 0.00 H new ATOM 0 HG22 VAL A 155 -1.481 -1.157 -5.021 1.00 0.00 H new ATOM 0 HG23 VAL A 155 0.056 -0.575 -5.704 1.00 0.00 H new ATOM 1112 N PHE A 156 -3.555 3.079 -6.020 1.00 0.00 N ATOM 1113 CA PHE A 156 -4.076 4.431 -5.963 1.00 0.00 C ATOM 1114 C PHE A 156 -4.373 4.833 -4.529 1.00 0.00 C ATOM 1115 O PHE A 156 -5.369 4.407 -3.936 1.00 0.00 O ATOM 1116 CB PHE A 156 -5.330 4.572 -6.830 1.00 0.00 C ATOM 1117 CG PHE A 156 -5.041 4.526 -8.305 1.00 0.00 C ATOM 1118 CD1 PHE A 156 -4.578 5.654 -8.965 1.00 0.00 C ATOM 1119 CD2 PHE A 156 -5.223 3.359 -9.030 1.00 0.00 C ATOM 1120 CE1 PHE A 156 -4.304 5.620 -10.317 1.00 0.00 C ATOM 1121 CE2 PHE A 156 -4.948 3.319 -10.384 1.00 0.00 C ATOM 1122 CZ PHE A 156 -4.488 4.453 -11.028 1.00 0.00 C ATOM 0 H PHE A 156 -4.264 2.358 -6.156 1.00 0.00 H new ATOM 0 HA PHE A 156 -3.313 5.102 -6.358 1.00 0.00 H new ATOM 0 HB2 PHE A 156 -6.029 3.774 -6.579 1.00 0.00 H new ATOM 0 HB3 PHE A 156 -5.823 5.514 -6.593 1.00 0.00 H new ATOM 0 HD1 PHE A 156 -4.430 6.571 -8.414 1.00 0.00 H new ATOM 0 HD2 PHE A 156 -5.584 2.471 -8.532 1.00 0.00 H new ATOM 0 HE1 PHE A 156 -3.946 6.507 -10.818 1.00 0.00 H new ATOM 0 HE2 PHE A 156 -5.092 2.403 -10.938 1.00 0.00 H new ATOM 0 HZ PHE A 156 -4.273 4.425 -12.086 1.00 0.00 H new ATOM 1132 N MET A 157 -3.485 5.638 -3.977 1.00 0.00 N ATOM 1133 CA MET A 157 -3.655 6.183 -2.645 1.00 0.00 C ATOM 1134 C MET A 157 -4.660 7.321 -2.705 1.00 0.00 C ATOM 1135 O MET A 157 -4.300 8.485 -2.905 1.00 0.00 O ATOM 1136 CB MET A 157 -2.308 6.667 -2.098 1.00 0.00 C ATOM 1137 CG MET A 157 -2.366 7.232 -0.688 1.00 0.00 C ATOM 1138 SD MET A 157 -0.764 7.865 -0.145 1.00 0.00 S ATOM 1139 CE MET A 157 -1.203 8.637 1.411 1.00 0.00 C ATOM 0 H MET A 157 -2.625 5.932 -4.440 1.00 0.00 H new ATOM 0 HA MET A 157 -4.030 5.412 -1.972 1.00 0.00 H new ATOM 0 HB2 MET A 157 -1.604 5.835 -2.114 1.00 0.00 H new ATOM 0 HB3 MET A 157 -1.913 7.432 -2.766 1.00 0.00 H new ATOM 0 HG2 MET A 157 -3.104 8.033 -0.649 1.00 0.00 H new ATOM 0 HG3 MET A 157 -2.701 6.456 -0.000 1.00 0.00 H new ATOM 0 HE1 MET A 157 -0.426 9.346 1.698 1.00 0.00 H new ATOM 0 HE2 MET A 157 -2.151 9.163 1.301 1.00 0.00 H new ATOM 0 HE3 MET A 157 -1.299 7.873 2.182 1.00 0.00 H new ATOM 1149 N ASN A 158 -5.928 6.972 -2.583 1.00 0.00 N ATOM 1150 CA ASN A 158 -6.998 7.937 -2.746 1.00 0.00 C ATOM 1151 C ASN A 158 -7.153 8.807 -1.511 1.00 0.00 C ATOM 1152 O ASN A 158 -7.905 8.484 -0.593 1.00 0.00 O ATOM 1153 CB ASN A 158 -8.316 7.233 -3.075 1.00 0.00 C ATOM 1154 CG ASN A 158 -8.468 6.921 -4.552 1.00 0.00 C ATOM 1155 OD1 ASN A 158 -8.981 7.732 -5.323 1.00 0.00 O ATOM 1156 ND2 ASN A 158 -8.026 5.738 -4.957 1.00 0.00 N ATOM 0 H ASN A 158 -6.242 6.025 -2.371 1.00 0.00 H new ATOM 0 HA ASN A 158 -6.733 8.586 -3.581 1.00 0.00 H new ATOM 0 HB2 ASN A 158 -8.379 6.306 -2.505 1.00 0.00 H new ATOM 0 HB3 ASN A 158 -9.147 7.861 -2.754 1.00 0.00 H new ATOM 0 HD21 ASN A 158 -8.105 5.473 -5.939 1.00 0.00 H new ATOM 0 HD22 ASN A 158 -7.607 5.093 -4.287 1.00 0.00 H new ATOM 1163 N LEU A 159 -6.406 9.898 -1.483 1.00 0.00 N ATOM 1164 CA LEU A 159 -6.562 10.900 -0.446 1.00 0.00 C ATOM 1165 C LEU A 159 -7.826 11.698 -0.754 1.00 0.00 C ATOM 1166 O LEU A 159 -7.801 12.643 -1.545 1.00 0.00 O ATOM 1167 CB LEU A 159 -5.333 11.821 -0.408 1.00 0.00 C ATOM 1168 CG LEU A 159 -4.933 12.355 0.972 1.00 0.00 C ATOM 1169 CD1 LEU A 159 -3.743 13.291 0.840 1.00 0.00 C ATOM 1170 CD2 LEU A 159 -6.101 13.060 1.651 1.00 0.00 C ATOM 0 H LEU A 159 -5.683 10.111 -2.170 1.00 0.00 H new ATOM 0 HA LEU A 159 -6.649 10.427 0.532 1.00 0.00 H new ATOM 0 HB2 LEU A 159 -4.485 11.278 -0.825 1.00 0.00 H new ATOM 0 HB3 LEU A 159 -5.521 12.671 -1.064 1.00 0.00 H new ATOM 0 HG LEU A 159 -4.650 11.510 1.599 1.00 0.00 H new ATOM 0 HD11 LEU A 159 -3.464 13.667 1.825 1.00 0.00 H new ATOM 0 HD12 LEU A 159 -2.902 12.751 0.406 1.00 0.00 H new ATOM 0 HD13 LEU A 159 -4.008 14.128 0.194 1.00 0.00 H new ATOM 0 HD21 LEU A 159 -5.786 13.428 2.628 1.00 0.00 H new ATOM 0 HD22 LEU A 159 -6.427 13.898 1.036 1.00 0.00 H new ATOM 0 HD23 LEU A 159 -6.926 12.359 1.776 1.00 0.00 H new ATOM 1182 N ARG A 160 -8.934 11.287 -0.161 1.00 0.00 N ATOM 1183 CA ARG A 160 -10.230 11.844 -0.505 1.00 0.00 C ATOM 1184 C ARG A 160 -10.816 12.657 0.633 1.00 0.00 C ATOM 1185 O ARG A 160 -10.349 12.574 1.769 1.00 0.00 O ATOM 1186 CB ARG A 160 -11.204 10.724 -0.885 1.00 0.00 C ATOM 1187 CG ARG A 160 -10.855 10.020 -2.186 1.00 0.00 C ATOM 1188 CD ARG A 160 -10.854 10.992 -3.353 1.00 0.00 C ATOM 1189 NE ARG A 160 -10.610 10.322 -4.623 1.00 0.00 N ATOM 1190 CZ ARG A 160 -10.146 10.931 -5.708 1.00 0.00 C ATOM 1191 NH1 ARG A 160 -9.830 12.220 -5.674 1.00 0.00 N ATOM 1192 NH2 ARG A 160 -9.985 10.242 -6.829 1.00 0.00 N ATOM 0 H ARG A 160 -8.961 10.568 0.562 1.00 0.00 H new ATOM 0 HA ARG A 160 -10.081 12.509 -1.355 1.00 0.00 H new ATOM 0 HB2 ARG A 160 -11.229 9.989 -0.081 1.00 0.00 H new ATOM 0 HB3 ARG A 160 -12.208 11.141 -0.967 1.00 0.00 H new ATOM 0 HG2 ARG A 160 -9.874 9.552 -2.098 1.00 0.00 H new ATOM 0 HG3 ARG A 160 -11.573 9.222 -2.375 1.00 0.00 H new ATOM 0 HD2 ARG A 160 -11.813 11.509 -3.395 1.00 0.00 H new ATOM 0 HD3 ARG A 160 -10.089 11.751 -3.191 1.00 0.00 H new ATOM 0 HE ARG A 160 -10.808 9.323 -4.683 1.00 0.00 H new ATOM 0 HH11 ARG A 160 -9.943 12.750 -4.810 1.00 0.00 H new ATOM 0 HH12 ARG A 160 -9.474 12.680 -6.512 1.00 0.00 H new ATOM 0 HH21 ARG A 160 -10.217 9.249 -6.855 1.00 0.00 H new ATOM 0 HH22 ARG A 160 -9.629 10.705 -7.665 1.00 0.00 H new TER 1206 ARG A 160