USER MOD reduce.3.24.130724 H: found=0, std=0, add=724, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 722 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 79 GLN : amide:sc= -2.47! C(o=-5.8!,f=-6.4!) USER MOD Set 1.2: A 85 THR OG1 : rot 41:sc= -3.31! USER MOD Set 2.1: A 65 SER OG : rot 26:sc= 0.61 USER MOD Set 2.2: A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 19 MET CE :methyl -110:sc= -0.335 (180deg=-4.16!) USER MOD Set 3.2: A 23 MET CE :methyl -128:sc= -0.269 (180deg=-2.41) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= -0.121 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 13 SER OG : rot 180:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 ASN : amide:sc=-0.00171 X(o=-0.0017,f=-0.041) USER MOD Single : A 27 GLN : amide:sc= -0.855 X(o=-0.86,f=-0.9) USER MOD Single : A 33 GLN :FLIP amide:sc= -0.56! C(o=-3.5!,f=-0.56!) USER MOD Single : A 34 TYR OH : rot -60:sc= -1.47! USER MOD Single : A 35 LYS NZ :NH3+ 168:sc=-0.00841 (180deg=-0.132) USER MOD Single : A 38 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN : amide:sc= -3.51! C(o=-3.5!,f=-3.4!) USER MOD Single : A 40 SER OG : rot 180:sc= 0 USER MOD Single : A 44 HIS : no HD1:sc= -0.0242 X(o=-0.024,f=-0.11) USER MOD Single : A 49 THR OG1 : rot 94:sc= 0.0204 USER MOD Single : A 50 MET CE :methyl 136:sc= -1.42 (180deg=-3.33!) USER MOD Single : A 51 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 80:sc= 1.29 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 30:sc= -0.233 USER MOD Single : A 62 SER OG : rot 180:sc= 0 USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 THR OG1 : rot 47:sc= 0.524 USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 HIS : no HD1:sc= -0.188 X(o=-0.19,f=0) USER MOD Single : A 76 LYS NZ :NH3+ 150:sc= 1.2 (180deg=1.14) USER MOD Single : A 81 MET CE :methyl -132:sc= -3.44! (180deg=-6.09!) USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 95 SER OG : rot 180:sc= 0 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 8.196 -15.506 23.089 1.00 0.00 N ATOM 2 CA GLY A 1 7.787 -14.993 21.795 1.00 0.00 C ATOM 3 C GLY A 1 6.369 -14.458 21.805 1.00 0.00 C ATOM 4 O GLY A 1 5.416 -15.203 21.573 1.00 0.00 O ATOM 0 H1 GLY A 1 9.172 -15.860 23.029 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.146 -14.745 23.796 1.00 0.00 H new ATOM 0 H3 GLY A 1 7.563 -16.282 23.371 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.469 -14.199 21.490 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.868 -15.786 21.051 1.00 0.00 H new ATOM 8 N SER A 2 6.227 -13.165 22.074 1.00 0.00 N ATOM 9 CA SER A 2 4.914 -12.532 22.119 1.00 0.00 C ATOM 10 C SER A 2 4.773 -11.493 21.011 1.00 0.00 C ATOM 11 O SER A 2 3.750 -11.430 20.331 1.00 0.00 O ATOM 12 CB SER A 2 4.687 -11.875 23.482 1.00 0.00 C ATOM 13 OG SER A 2 5.481 -10.711 23.625 1.00 0.00 O ATOM 0 H SER A 2 7.006 -12.534 22.264 1.00 0.00 H new ATOM 0 HA SER A 2 4.161 -13.305 21.966 1.00 0.00 H new ATOM 0 HB2 SER A 2 3.634 -11.617 23.594 1.00 0.00 H new ATOM 0 HB3 SER A 2 4.928 -12.583 24.275 1.00 0.00 H new ATOM 0 HG SER A 2 5.317 -10.309 24.503 1.00 0.00 H new ATOM 19 N SER A 3 5.810 -10.680 20.836 1.00 0.00 N ATOM 20 CA SER A 3 5.802 -9.640 19.814 1.00 0.00 C ATOM 21 C SER A 3 6.717 -10.015 18.651 1.00 0.00 C ATOM 22 O SER A 3 7.864 -10.412 18.852 1.00 0.00 O ATOM 23 CB SER A 3 6.242 -8.303 20.413 1.00 0.00 C ATOM 24 OG SER A 3 5.926 -7.228 19.546 1.00 0.00 O ATOM 0 H SER A 3 6.666 -10.722 21.389 1.00 0.00 H new ATOM 0 HA SER A 3 4.784 -9.543 19.437 1.00 0.00 H new ATOM 0 HB2 SER A 3 5.753 -8.154 21.376 1.00 0.00 H new ATOM 0 HB3 SER A 3 7.316 -8.320 20.600 1.00 0.00 H new ATOM 0 HG SER A 3 6.216 -6.384 19.952 1.00 0.00 H new ATOM 30 N GLY A 4 6.199 -9.884 17.433 1.00 0.00 N ATOM 31 CA GLY A 4 6.982 -10.213 16.256 1.00 0.00 C ATOM 32 C GLY A 4 6.204 -11.048 15.258 1.00 0.00 C ATOM 33 O GLY A 4 5.651 -10.519 14.294 1.00 0.00 O ATOM 0 H GLY A 4 5.252 -9.556 17.241 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.314 -9.293 15.775 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.878 -10.755 16.559 1.00 0.00 H new ATOM 37 N SER A 5 6.164 -12.356 15.488 1.00 0.00 N ATOM 38 CA SER A 5 5.453 -13.267 14.598 1.00 0.00 C ATOM 39 C SER A 5 4.276 -13.920 15.316 1.00 0.00 C ATOM 40 O SER A 5 4.322 -14.149 16.524 1.00 0.00 O ATOM 41 CB SER A 5 6.404 -14.343 14.070 1.00 0.00 C ATOM 42 OG SER A 5 7.037 -13.923 12.874 1.00 0.00 O ATOM 0 H SER A 5 6.615 -12.809 16.283 1.00 0.00 H new ATOM 0 HA SER A 5 5.068 -12.689 13.758 1.00 0.00 H new ATOM 0 HB2 SER A 5 7.158 -14.568 14.824 1.00 0.00 H new ATOM 0 HB3 SER A 5 5.850 -15.264 13.888 1.00 0.00 H new ATOM 0 HG SER A 5 7.641 -14.628 12.558 1.00 0.00 H new ATOM 48 N SER A 6 3.223 -14.218 14.562 1.00 0.00 N ATOM 49 CA SER A 6 2.031 -14.841 15.126 1.00 0.00 C ATOM 50 C SER A 6 1.925 -16.300 14.694 1.00 0.00 C ATOM 51 O SER A 6 1.839 -17.201 15.527 1.00 0.00 O ATOM 52 CB SER A 6 0.778 -14.077 14.695 1.00 0.00 C ATOM 53 OG SER A 6 -0.356 -14.499 15.433 1.00 0.00 O ATOM 0 H SER A 6 3.171 -14.038 13.559 1.00 0.00 H new ATOM 0 HA SER A 6 2.113 -14.807 16.212 1.00 0.00 H new ATOM 0 HB2 SER A 6 0.933 -13.008 14.840 1.00 0.00 H new ATOM 0 HB3 SER A 6 0.602 -14.233 13.631 1.00 0.00 H new ATOM 0 HG SER A 6 -1.143 -13.994 15.140 1.00 0.00 H new ATOM 59 N GLY A 7 1.931 -16.524 13.383 1.00 0.00 N ATOM 60 CA GLY A 7 1.835 -17.875 12.861 1.00 0.00 C ATOM 61 C GLY A 7 0.600 -18.080 12.007 1.00 0.00 C ATOM 62 O GLY A 7 0.468 -17.478 10.941 1.00 0.00 O ATOM 0 H GLY A 7 2.001 -15.794 12.674 1.00 0.00 H new ATOM 0 HA2 GLY A 7 2.723 -18.096 12.269 1.00 0.00 H new ATOM 0 HA3 GLY A 7 1.821 -18.582 13.691 1.00 0.00 H new ATOM 66 N ARG A 8 -0.306 -18.933 12.473 1.00 0.00 N ATOM 67 CA ARG A 8 -1.535 -19.218 11.742 1.00 0.00 C ATOM 68 C ARG A 8 -1.226 -19.768 10.353 1.00 0.00 C ATOM 69 O ARG A 8 -1.868 -19.397 9.370 1.00 0.00 O ATOM 70 CB ARG A 8 -2.388 -17.954 11.624 1.00 0.00 C ATOM 71 CG ARG A 8 -3.320 -17.736 12.805 1.00 0.00 C ATOM 72 CD ARG A 8 -4.656 -18.432 12.595 1.00 0.00 C ATOM 73 NE ARG A 8 -5.667 -17.973 13.543 1.00 0.00 N ATOM 74 CZ ARG A 8 -6.937 -18.362 13.509 1.00 0.00 C ATOM 75 NH1 ARG A 8 -7.348 -19.213 12.580 1.00 0.00 N ATOM 76 NH2 ARG A 8 -7.798 -17.899 14.407 1.00 0.00 N ATOM 0 H ARG A 8 -0.212 -19.439 13.354 1.00 0.00 H new ATOM 0 HA ARG A 8 -2.092 -19.973 12.297 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.731 -17.090 11.526 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -2.980 -18.009 10.710 1.00 0.00 H new ATOM 0 HG2 ARG A 8 -2.851 -18.112 13.714 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -3.483 -16.668 12.949 1.00 0.00 H new ATOM 0 HD2 ARG A 8 -5.004 -18.250 11.578 1.00 0.00 H new ATOM 0 HD3 ARG A 8 -4.524 -19.509 12.699 1.00 0.00 H new ATOM 0 HE ARG A 8 -5.383 -17.318 14.271 1.00 0.00 H new ATOM 0 HH11 ARG A 8 -6.689 -19.571 11.889 1.00 0.00 H new ATOM 0 HH12 ARG A 8 -8.324 -19.510 12.556 1.00 0.00 H new ATOM 0 HH21 ARG A 8 -7.485 -17.244 15.124 1.00 0.00 H new ATOM 0 HH22 ARG A 8 -8.773 -18.198 14.380 1.00 0.00 H new ATOM 90 N LYS A 9 -0.239 -20.654 10.279 1.00 0.00 N ATOM 91 CA LYS A 9 0.156 -21.257 9.011 1.00 0.00 C ATOM 92 C LYS A 9 -0.737 -22.446 8.673 1.00 0.00 C ATOM 93 O LYS A 9 -1.486 -22.933 9.521 1.00 0.00 O ATOM 94 CB LYS A 9 1.618 -21.703 9.068 1.00 0.00 C ATOM 95 CG LYS A 9 2.574 -20.602 9.496 1.00 0.00 C ATOM 96 CD LYS A 9 3.892 -21.171 9.993 1.00 0.00 C ATOM 97 CE LYS A 9 4.820 -21.517 8.839 1.00 0.00 C ATOM 98 NZ LYS A 9 5.730 -22.646 9.178 1.00 0.00 N ATOM 0 H LYS A 9 0.303 -20.971 11.083 1.00 0.00 H new ATOM 0 HA LYS A 9 0.043 -20.506 8.229 1.00 0.00 H new ATOM 0 HB2 LYS A 9 1.707 -22.540 9.761 1.00 0.00 H new ATOM 0 HB3 LYS A 9 1.916 -22.070 8.086 1.00 0.00 H new ATOM 0 HG2 LYS A 9 2.759 -19.933 8.656 1.00 0.00 H new ATOM 0 HG3 LYS A 9 2.114 -20.005 10.284 1.00 0.00 H new ATOM 0 HD2 LYS A 9 4.378 -20.448 10.648 1.00 0.00 H new ATOM 0 HD3 LYS A 9 3.702 -22.064 10.589 1.00 0.00 H new ATOM 0 HE2 LYS A 9 4.227 -21.779 7.962 1.00 0.00 H new ATOM 0 HE3 LYS A 9 5.412 -20.641 8.574 1.00 0.00 H new ATOM 0 HZ1 LYS A 9 6.346 -22.851 8.366 1.00 0.00 H new ATOM 0 HZ2 LYS A 9 6.314 -22.387 9.999 1.00 0.00 H new ATOM 0 HZ3 LYS A 9 5.166 -23.490 9.407 1.00 0.00 H new ATOM 112 N ILE A 10 -0.651 -22.911 7.431 1.00 0.00 N ATOM 113 CA ILE A 10 -1.449 -24.045 6.983 1.00 0.00 C ATOM 114 C ILE A 10 -0.702 -24.863 5.935 1.00 0.00 C ATOM 115 O ILE A 10 0.407 -24.510 5.531 1.00 0.00 O ATOM 116 CB ILE A 10 -2.797 -23.588 6.395 1.00 0.00 C ATOM 117 CG1 ILE A 10 -2.632 -23.202 4.924 1.00 0.00 C ATOM 118 CG2 ILE A 10 -3.355 -22.420 7.195 1.00 0.00 C ATOM 119 CD1 ILE A 10 -1.479 -22.256 4.673 1.00 0.00 C ATOM 0 H ILE A 10 -0.036 -22.520 6.717 1.00 0.00 H new ATOM 0 HA ILE A 10 -1.636 -24.665 7.860 1.00 0.00 H new ATOM 0 HB ILE A 10 -3.503 -24.416 6.457 1.00 0.00 H new ATOM 0 HG12 ILE A 10 -2.484 -24.106 4.334 1.00 0.00 H new ATOM 0 HG13 ILE A 10 -3.554 -22.739 4.573 1.00 0.00 H new ATOM 0 HG21 ILE A 10 -4.308 -22.108 6.767 1.00 0.00 H new ATOM 0 HG22 ILE A 10 -3.505 -22.727 8.230 1.00 0.00 H new ATOM 0 HG23 ILE A 10 -2.652 -21.587 7.161 1.00 0.00 H new ATOM 0 HD11 ILE A 10 -1.422 -22.026 3.609 1.00 0.00 H new ATOM 0 HD12 ILE A 10 -1.635 -21.335 5.236 1.00 0.00 H new ATOM 0 HD13 ILE A 10 -0.548 -22.724 4.993 1.00 0.00 H new ATOM 131 N LEU A 11 -1.316 -25.957 5.498 1.00 0.00 N ATOM 132 CA LEU A 11 -0.711 -26.826 4.495 1.00 0.00 C ATOM 133 C LEU A 11 -1.495 -26.777 3.188 1.00 0.00 C ATOM 134 O LEU A 11 -0.965 -26.386 2.148 1.00 0.00 O ATOM 135 CB LEU A 11 -0.645 -28.264 5.010 1.00 0.00 C ATOM 136 CG LEU A 11 0.057 -28.464 6.354 1.00 0.00 C ATOM 137 CD1 LEU A 11 -0.360 -29.785 6.983 1.00 0.00 C ATOM 138 CD2 LEU A 11 1.568 -28.407 6.181 1.00 0.00 C ATOM 0 H LEU A 11 -2.233 -26.263 5.823 1.00 0.00 H new ATOM 0 HA LEU A 11 0.301 -26.469 4.304 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -1.663 -28.646 5.094 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -0.136 -28.873 4.263 1.00 0.00 H new ATOM 0 HG LEU A 11 -0.243 -27.656 7.022 1.00 0.00 H new ATOM 0 HD11 LEU A 11 0.150 -29.910 7.938 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -1.438 -29.787 7.144 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -0.091 -30.606 6.318 1.00 0.00 H new ATOM 0 HD21 LEU A 11 2.051 -28.551 7.148 1.00 0.00 H new ATOM 0 HD22 LEU A 11 1.886 -29.193 5.496 1.00 0.00 H new ATOM 0 HD23 LEU A 11 1.851 -27.436 5.775 1.00 0.00 H new ATOM 150 N ASP A 12 -2.761 -27.175 3.248 1.00 0.00 N ATOM 151 CA ASP A 12 -3.620 -27.174 2.070 1.00 0.00 C ATOM 152 C ASP A 12 -5.087 -27.308 2.467 1.00 0.00 C ATOM 153 O ASP A 12 -5.483 -28.289 3.097 1.00 0.00 O ATOM 154 CB ASP A 12 -3.229 -28.312 1.126 1.00 0.00 C ATOM 155 CG ASP A 12 -3.615 -29.674 1.669 1.00 0.00 C ATOM 156 OD1 ASP A 12 -2.882 -30.198 2.534 1.00 0.00 O ATOM 157 OD2 ASP A 12 -4.651 -30.215 1.230 1.00 0.00 O ATOM 0 H ASP A 12 -3.215 -27.503 4.101 1.00 0.00 H new ATOM 0 HA ASP A 12 -3.487 -26.223 1.555 1.00 0.00 H new ATOM 0 HB2 ASP A 12 -3.710 -28.160 0.160 1.00 0.00 H new ATOM 0 HB3 ASP A 12 -2.153 -28.284 0.954 1.00 0.00 H new ATOM 162 N SER A 13 -5.889 -26.315 2.095 1.00 0.00 N ATOM 163 CA SER A 13 -7.311 -26.320 2.417 1.00 0.00 C ATOM 164 C SER A 13 -8.040 -25.204 1.674 1.00 0.00 C ATOM 165 O SER A 13 -7.445 -24.185 1.320 1.00 0.00 O ATOM 166 CB SER A 13 -7.515 -26.162 3.925 1.00 0.00 C ATOM 167 OG SER A 13 -8.746 -26.732 4.335 1.00 0.00 O ATOM 0 H SER A 13 -5.578 -25.497 1.571 1.00 0.00 H new ATOM 0 HA SER A 13 -7.727 -27.276 2.100 1.00 0.00 H new ATOM 0 HB2 SER A 13 -6.694 -26.640 4.458 1.00 0.00 H new ATOM 0 HB3 SER A 13 -7.494 -25.105 4.189 1.00 0.00 H new ATOM 0 HG SER A 13 -8.852 -26.620 5.303 1.00 0.00 H new ATOM 173 N LYS A 14 -9.332 -25.404 1.439 1.00 0.00 N ATOM 174 CA LYS A 14 -10.145 -24.416 0.739 1.00 0.00 C ATOM 175 C LYS A 14 -9.778 -23.002 1.176 1.00 0.00 C ATOM 176 O LYS A 14 -9.396 -22.776 2.324 1.00 0.00 O ATOM 177 CB LYS A 14 -11.631 -24.672 0.998 1.00 0.00 C ATOM 178 CG LYS A 14 -12.081 -24.280 2.395 1.00 0.00 C ATOM 179 CD LYS A 14 -13.556 -23.915 2.423 1.00 0.00 C ATOM 180 CE LYS A 14 -14.429 -25.141 2.644 1.00 0.00 C ATOM 181 NZ LYS A 14 -15.765 -24.780 3.195 1.00 0.00 N ATOM 0 H LYS A 14 -9.839 -26.242 1.723 1.00 0.00 H new ATOM 0 HA LYS A 14 -9.947 -24.510 -0.329 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -12.219 -24.118 0.267 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -11.842 -25.730 0.841 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -11.896 -25.105 3.083 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -11.489 -23.434 2.745 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -13.738 -23.190 3.216 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -13.831 -23.435 1.484 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -14.557 -25.671 1.700 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.927 -25.825 3.328 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -16.329 -25.643 3.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -15.645 -24.297 4.108 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -16.255 -24.147 2.531 1.00 0.00 H new ATOM 195 N ALA A 15 -9.898 -22.052 0.254 1.00 0.00 N ATOM 196 CA ALA A 15 -9.583 -20.659 0.546 1.00 0.00 C ATOM 197 C ALA A 15 -10.474 -19.715 -0.254 1.00 0.00 C ATOM 198 O ALA A 15 -11.090 -20.116 -1.242 1.00 0.00 O ATOM 199 CB ALA A 15 -8.116 -20.378 0.254 1.00 0.00 C ATOM 0 H ALA A 15 -10.211 -22.222 -0.702 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.772 -20.484 1.605 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.894 -19.334 0.476 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -7.492 -21.022 0.874 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -7.910 -20.577 -0.798 1.00 0.00 H new ATOM 205 N ILE A 16 -10.538 -18.461 0.180 1.00 0.00 N ATOM 206 CA ILE A 16 -11.355 -17.461 -0.497 1.00 0.00 C ATOM 207 C ILE A 16 -10.484 -16.447 -1.233 1.00 0.00 C ATOM 208 O ILE A 16 -9.310 -16.271 -0.909 1.00 0.00 O ATOM 209 CB ILE A 16 -12.266 -16.713 0.495 1.00 0.00 C ATOM 210 CG1 ILE A 16 -13.333 -17.658 1.051 1.00 0.00 C ATOM 211 CG2 ILE A 16 -12.913 -15.514 -0.182 1.00 0.00 C ATOM 212 CD1 ILE A 16 -14.309 -18.150 0.006 1.00 0.00 C ATOM 0 H ILE A 16 -10.035 -18.113 0.996 1.00 0.00 H new ATOM 0 HA ILE A 16 -11.976 -17.995 -1.217 1.00 0.00 H new ATOM 0 HB ILE A 16 -11.658 -16.353 1.325 1.00 0.00 H new ATOM 0 HG12 ILE A 16 -12.843 -18.516 1.511 1.00 0.00 H new ATOM 0 HG13 ILE A 16 -13.885 -17.146 1.839 1.00 0.00 H new ATOM 0 HG21 ILE A 16 -13.554 -14.995 0.531 1.00 0.00 H new ATOM 0 HG22 ILE A 16 -12.138 -14.834 -0.535 1.00 0.00 H new ATOM 0 HG23 ILE A 16 -13.511 -15.853 -1.028 1.00 0.00 H new ATOM 0 HD11 ILE A 16 -15.036 -18.815 0.472 1.00 0.00 H new ATOM 0 HD12 ILE A 16 -14.827 -17.299 -0.437 1.00 0.00 H new ATOM 0 HD13 ILE A 16 -13.768 -18.691 -0.771 1.00 0.00 H new ATOM 224 N ASP A 17 -11.069 -15.782 -2.223 1.00 0.00 N ATOM 225 CA ASP A 17 -10.348 -14.784 -3.004 1.00 0.00 C ATOM 226 C ASP A 17 -10.476 -13.402 -2.369 1.00 0.00 C ATOM 227 O ASP A 17 -11.248 -12.563 -2.833 1.00 0.00 O ATOM 228 CB ASP A 17 -10.875 -14.750 -4.439 1.00 0.00 C ATOM 229 CG ASP A 17 -9.825 -14.290 -5.431 1.00 0.00 C ATOM 230 OD1 ASP A 17 -9.603 -13.066 -5.535 1.00 0.00 O ATOM 231 OD2 ASP A 17 -9.226 -15.155 -6.104 1.00 0.00 O ATOM 0 H ASP A 17 -12.040 -15.916 -2.504 1.00 0.00 H new ATOM 0 HA ASP A 17 -9.294 -15.062 -3.019 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -11.224 -15.744 -4.718 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -11.736 -14.084 -4.491 1.00 0.00 H new ATOM 236 N LEU A 18 -9.714 -13.173 -1.305 1.00 0.00 N ATOM 237 CA LEU A 18 -9.742 -11.894 -0.606 1.00 0.00 C ATOM 238 C LEU A 18 -8.370 -11.226 -0.636 1.00 0.00 C ATOM 239 O LEU A 18 -8.266 -10.001 -0.678 1.00 0.00 O ATOM 240 CB LEU A 18 -10.193 -12.091 0.842 1.00 0.00 C ATOM 241 CG LEU A 18 -9.185 -12.764 1.774 1.00 0.00 C ATOM 242 CD1 LEU A 18 -9.503 -12.445 3.226 1.00 0.00 C ATOM 243 CD2 LEU A 18 -9.171 -14.269 1.548 1.00 0.00 C ATOM 0 H LEU A 18 -9.069 -13.857 -0.908 1.00 0.00 H new ATOM 0 HA LEU A 18 -10.453 -11.245 -1.117 1.00 0.00 H new ATOM 0 HB2 LEU A 18 -10.447 -11.116 1.258 1.00 0.00 H new ATOM 0 HB3 LEU A 18 -11.107 -12.685 0.839 1.00 0.00 H new ATOM 0 HG LEU A 18 -8.193 -12.373 1.547 1.00 0.00 H new ATOM 0 HD11 LEU A 18 -8.775 -12.933 3.874 1.00 0.00 H new ATOM 0 HD12 LEU A 18 -9.460 -11.367 3.379 1.00 0.00 H new ATOM 0 HD13 LEU A 18 -10.503 -12.806 3.467 1.00 0.00 H new ATOM 0 HD21 LEU A 18 -8.448 -14.731 2.220 1.00 0.00 H new ATOM 0 HD22 LEU A 18 -10.162 -14.676 1.747 1.00 0.00 H new ATOM 0 HD23 LEU A 18 -8.893 -14.479 0.515 1.00 0.00 H new ATOM 255 N MET A 19 -7.321 -12.041 -0.617 1.00 0.00 N ATOM 256 CA MET A 19 -5.956 -11.530 -0.646 1.00 0.00 C ATOM 257 C MET A 19 -5.709 -10.710 -1.909 1.00 0.00 C ATOM 258 O MET A 19 -4.761 -9.929 -1.977 1.00 0.00 O ATOM 259 CB MET A 19 -4.954 -12.683 -0.568 1.00 0.00 C ATOM 260 CG MET A 19 -4.766 -13.414 -1.888 1.00 0.00 C ATOM 261 SD MET A 19 -6.123 -14.542 -2.257 1.00 0.00 S ATOM 262 CE MET A 19 -6.652 -13.924 -3.854 1.00 0.00 C ATOM 0 H MET A 19 -7.390 -13.058 -0.582 1.00 0.00 H new ATOM 0 HA MET A 19 -5.819 -10.882 0.219 1.00 0.00 H new ATOM 0 HB2 MET A 19 -3.991 -12.295 -0.236 1.00 0.00 H new ATOM 0 HB3 MET A 19 -5.288 -13.394 0.187 1.00 0.00 H new ATOM 0 HG2 MET A 19 -4.676 -12.685 -2.693 1.00 0.00 H new ATOM 0 HG3 MET A 19 -3.831 -13.974 -1.859 1.00 0.00 H new ATOM 0 HE1 MET A 19 -7.626 -13.446 -3.754 1.00 0.00 H new ATOM 0 HE2 MET A 19 -5.927 -13.198 -4.221 1.00 0.00 H new ATOM 0 HE3 MET A 19 -6.725 -14.752 -4.559 1.00 0.00 H new ATOM 272 N ASN A 20 -6.568 -10.895 -2.906 1.00 0.00 N ATOM 273 CA ASN A 20 -6.442 -10.173 -4.167 1.00 0.00 C ATOM 274 C ASN A 20 -6.234 -8.682 -3.921 1.00 0.00 C ATOM 275 O ASN A 20 -5.305 -8.078 -4.457 1.00 0.00 O ATOM 276 CB ASN A 20 -7.686 -10.391 -5.030 1.00 0.00 C ATOM 277 CG ASN A 20 -7.382 -10.311 -6.513 1.00 0.00 C ATOM 278 OD1 ASN A 20 -7.688 -9.313 -7.168 1.00 0.00 O ATOM 279 ND2 ASN A 20 -6.778 -11.363 -7.051 1.00 0.00 N ATOM 0 H ASN A 20 -7.358 -11.538 -2.865 1.00 0.00 H new ATOM 0 HA ASN A 20 -5.570 -10.561 -4.694 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -8.116 -11.366 -4.802 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -8.437 -9.644 -4.775 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -6.549 -11.366 -8.045 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -6.543 -12.168 -6.471 1.00 0.00 H new ATOM 286 N ALA A 21 -7.105 -8.095 -3.108 1.00 0.00 N ATOM 287 CA ALA A 21 -7.017 -6.675 -2.789 1.00 0.00 C ATOM 288 C ALA A 21 -5.563 -6.225 -2.688 1.00 0.00 C ATOM 289 O ALA A 21 -5.170 -5.222 -3.284 1.00 0.00 O ATOM 290 CB ALA A 21 -7.754 -6.378 -1.492 1.00 0.00 C ATOM 0 H ALA A 21 -7.881 -8.581 -2.658 1.00 0.00 H new ATOM 0 HA ALA A 21 -7.489 -6.116 -3.598 1.00 0.00 H new ATOM 0 HB1 ALA A 21 -7.680 -5.314 -1.267 1.00 0.00 H new ATOM 0 HB2 ALA A 21 -8.803 -6.654 -1.598 1.00 0.00 H new ATOM 0 HB3 ALA A 21 -7.308 -6.953 -0.680 1.00 0.00 H new ATOM 296 N LEU A 22 -4.769 -6.972 -1.929 1.00 0.00 N ATOM 297 CA LEU A 22 -3.358 -6.650 -1.749 1.00 0.00 C ATOM 298 C LEU A 22 -2.627 -6.639 -3.088 1.00 0.00 C ATOM 299 O LEU A 22 -2.156 -5.596 -3.540 1.00 0.00 O ATOM 300 CB LEU A 22 -2.700 -7.658 -0.804 1.00 0.00 C ATOM 301 CG LEU A 22 -2.766 -7.323 0.686 1.00 0.00 C ATOM 302 CD1 LEU A 22 -2.471 -8.557 1.524 1.00 0.00 C ATOM 303 CD2 LEU A 22 -1.794 -6.202 1.024 1.00 0.00 C ATOM 0 H LEU A 22 -5.078 -7.805 -1.428 1.00 0.00 H new ATOM 0 HA LEU A 22 -3.291 -5.654 -1.311 1.00 0.00 H new ATOM 0 HB2 LEU A 22 -3.169 -8.630 -0.958 1.00 0.00 H new ATOM 0 HB3 LEU A 22 -1.652 -7.761 -1.087 1.00 0.00 H new ATOM 0 HG LEU A 22 -3.776 -6.984 0.918 1.00 0.00 H new ATOM 0 HD11 LEU A 22 -2.522 -8.299 2.582 1.00 0.00 H new ATOM 0 HD12 LEU A 22 -3.206 -9.331 1.303 1.00 0.00 H new ATOM 0 HD13 LEU A 22 -1.473 -8.926 1.289 1.00 0.00 H new ATOM 0 HD21 LEU A 22 -1.854 -5.977 2.089 1.00 0.00 H new ATOM 0 HD22 LEU A 22 -0.779 -6.513 0.776 1.00 0.00 H new ATOM 0 HD23 LEU A 22 -2.051 -5.312 0.450 1.00 0.00 H new ATOM 315 N MET A 23 -2.538 -7.806 -3.717 1.00 0.00 N ATOM 316 CA MET A 23 -1.867 -7.929 -5.006 1.00 0.00 C ATOM 317 C MET A 23 -2.275 -6.795 -5.942 1.00 0.00 C ATOM 318 O MET A 23 -1.435 -6.213 -6.629 1.00 0.00 O ATOM 319 CB MET A 23 -2.194 -9.278 -5.649 1.00 0.00 C ATOM 320 CG MET A 23 -1.252 -10.395 -5.230 1.00 0.00 C ATOM 321 SD MET A 23 -1.734 -11.998 -5.901 1.00 0.00 S ATOM 322 CE MET A 23 -3.242 -12.309 -4.986 1.00 0.00 C ATOM 0 H MET A 23 -2.922 -8.679 -3.356 1.00 0.00 H new ATOM 0 HA MET A 23 -0.792 -7.867 -4.835 1.00 0.00 H new ATOM 0 HB2 MET A 23 -3.215 -9.558 -5.388 1.00 0.00 H new ATOM 0 HB3 MET A 23 -2.160 -9.172 -6.733 1.00 0.00 H new ATOM 0 HG2 MET A 23 -0.241 -10.156 -5.561 1.00 0.00 H new ATOM 0 HG3 MET A 23 -1.226 -10.454 -4.142 1.00 0.00 H new ATOM 0 HE1 MET A 23 -3.190 -13.295 -4.523 1.00 0.00 H new ATOM 0 HE2 MET A 23 -3.361 -11.551 -4.212 1.00 0.00 H new ATOM 0 HE3 MET A 23 -4.094 -12.271 -5.665 1.00 0.00 H new ATOM 332 N ARG A 24 -3.567 -6.488 -5.964 1.00 0.00 N ATOM 333 CA ARG A 24 -4.085 -5.424 -6.816 1.00 0.00 C ATOM 334 C ARG A 24 -3.338 -4.117 -6.570 1.00 0.00 C ATOM 335 O ARG A 24 -2.727 -3.557 -7.481 1.00 0.00 O ATOM 336 CB ARG A 24 -5.581 -5.224 -6.566 1.00 0.00 C ATOM 337 CG ARG A 24 -6.457 -6.259 -7.253 1.00 0.00 C ATOM 338 CD ARG A 24 -6.860 -5.809 -8.649 1.00 0.00 C ATOM 339 NE ARG A 24 -5.750 -5.901 -9.594 1.00 0.00 N ATOM 340 CZ ARG A 24 -5.761 -5.337 -10.797 1.00 0.00 C ATOM 341 NH1 ARG A 24 -6.818 -4.644 -11.199 1.00 0.00 N ATOM 342 NH2 ARG A 24 -4.713 -5.465 -11.601 1.00 0.00 N ATOM 0 H ARG A 24 -4.275 -6.961 -5.402 1.00 0.00 H new ATOM 0 HA ARG A 24 -3.933 -5.719 -7.854 1.00 0.00 H new ATOM 0 HB2 ARG A 24 -5.769 -5.256 -5.493 1.00 0.00 H new ATOM 0 HB3 ARG A 24 -5.869 -4.231 -6.910 1.00 0.00 H new ATOM 0 HG2 ARG A 24 -5.922 -7.207 -7.315 1.00 0.00 H new ATOM 0 HG3 ARG A 24 -7.351 -6.436 -6.654 1.00 0.00 H new ATOM 0 HD2 ARG A 24 -7.689 -6.422 -9.002 1.00 0.00 H new ATOM 0 HD3 ARG A 24 -7.218 -4.780 -8.609 1.00 0.00 H new ATOM 0 HE ARG A 24 -4.922 -6.427 -9.315 1.00 0.00 H new ATOM 0 HH11 ARG A 24 -7.625 -4.543 -10.584 1.00 0.00 H new ATOM 0 HH12 ARG A 24 -6.823 -4.212 -12.123 1.00 0.00 H new ATOM 0 HH21 ARG A 24 -3.898 -5.997 -11.296 1.00 0.00 H new ATOM 0 HH22 ARG A 24 -4.723 -5.032 -12.524 1.00 0.00 H new ATOM 356 N LEU A 25 -3.392 -3.636 -5.333 1.00 0.00 N ATOM 357 CA LEU A 25 -2.720 -2.393 -4.966 1.00 0.00 C ATOM 358 C LEU A 25 -1.326 -2.326 -5.580 1.00 0.00 C ATOM 359 O LEU A 25 -0.938 -1.309 -6.154 1.00 0.00 O ATOM 360 CB LEU A 25 -2.626 -2.272 -3.444 1.00 0.00 C ATOM 361 CG LEU A 25 -2.626 -0.850 -2.882 1.00 0.00 C ATOM 362 CD1 LEU A 25 -4.000 -0.216 -3.034 1.00 0.00 C ATOM 363 CD2 LEU A 25 -2.196 -0.853 -1.423 1.00 0.00 C ATOM 0 H LEU A 25 -3.893 -4.087 -4.567 1.00 0.00 H new ATOM 0 HA LEU A 25 -3.308 -1.562 -5.355 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -3.463 -2.815 -3.004 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -1.714 -2.771 -3.116 1.00 0.00 H new ATOM 0 HG LEU A 25 -1.910 -0.256 -3.449 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -3.981 0.796 -2.629 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.269 -0.179 -4.090 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -4.737 -0.810 -2.493 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.202 0.167 -1.040 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -2.887 -1.463 -0.841 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.190 -1.266 -1.341 1.00 0.00 H new ATOM 375 N ASN A 26 -0.578 -3.417 -5.459 1.00 0.00 N ATOM 376 CA ASN A 26 0.774 -3.482 -6.004 1.00 0.00 C ATOM 377 C ASN A 26 0.752 -3.368 -7.525 1.00 0.00 C ATOM 378 O ASN A 26 1.520 -2.605 -8.110 1.00 0.00 O ATOM 379 CB ASN A 26 1.451 -4.790 -5.589 1.00 0.00 C ATOM 380 CG ASN A 26 2.022 -4.726 -4.185 1.00 0.00 C ATOM 381 OD1 ASN A 26 2.876 -3.890 -3.889 1.00 0.00 O ATOM 382 ND2 ASN A 26 1.551 -5.610 -3.314 1.00 0.00 N ATOM 0 H ASN A 26 -0.884 -4.269 -4.989 1.00 0.00 H new ATOM 0 HA ASN A 26 1.342 -2.643 -5.602 1.00 0.00 H new ATOM 0 HB2 ASN A 26 0.729 -5.604 -5.648 1.00 0.00 H new ATOM 0 HB3 ASN A 26 2.250 -5.022 -6.293 1.00 0.00 H new ATOM 0 HD21 ASN A 26 1.897 -5.615 -2.354 1.00 0.00 H new ATOM 0 HD22 ASN A 26 0.843 -6.285 -3.604 1.00 0.00 H new ATOM 389 N GLN A 27 -0.132 -4.132 -8.158 1.00 0.00 N ATOM 390 CA GLN A 27 -0.253 -4.116 -9.611 1.00 0.00 C ATOM 391 C GLN A 27 -0.442 -2.693 -10.126 1.00 0.00 C ATOM 392 O GLN A 27 0.309 -2.229 -10.985 1.00 0.00 O ATOM 393 CB GLN A 27 -1.426 -4.991 -10.056 1.00 0.00 C ATOM 394 CG GLN A 27 -1.155 -6.482 -9.928 1.00 0.00 C ATOM 395 CD GLN A 27 -1.947 -7.307 -10.923 1.00 0.00 C ATOM 396 OE1 GLN A 27 -1.804 -7.144 -12.135 1.00 0.00 O ATOM 397 NE2 GLN A 27 -2.789 -8.199 -10.416 1.00 0.00 N ATOM 0 H GLN A 27 -0.775 -4.770 -7.688 1.00 0.00 H new ATOM 0 HA GLN A 27 0.670 -4.516 -10.031 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -2.304 -4.737 -9.462 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -1.667 -4.762 -11.094 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -0.091 -6.668 -10.073 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -1.400 -6.806 -8.917 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -2.876 -8.301 -9.405 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -3.349 -8.783 -11.038 1.00 0.00 H new ATOM 406 N ILE A 28 -1.448 -2.005 -9.596 1.00 0.00 N ATOM 407 CA ILE A 28 -1.734 -0.635 -10.002 1.00 0.00 C ATOM 408 C ILE A 28 -0.601 0.304 -9.603 1.00 0.00 C ATOM 409 O ILE A 28 -0.184 1.158 -10.385 1.00 0.00 O ATOM 410 CB ILE A 28 -3.049 -0.127 -9.383 1.00 0.00 C ATOM 411 CG1 ILE A 28 -3.021 -0.295 -7.862 1.00 0.00 C ATOM 412 CG2 ILE A 28 -4.236 -0.868 -9.980 1.00 0.00 C ATOM 413 CD1 ILE A 28 -4.276 0.196 -7.176 1.00 0.00 C ATOM 0 H ILE A 28 -2.079 -2.374 -8.884 1.00 0.00 H new ATOM 0 HA ILE A 28 -1.832 -0.642 -11.088 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.154 0.934 -9.611 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -2.875 -1.349 -7.624 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -2.163 0.244 -7.461 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -5.158 -0.498 -9.533 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -4.264 -0.703 -11.057 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.138 -1.935 -9.779 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -4.185 0.045 -6.100 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.413 1.257 -7.384 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.136 -0.360 -7.549 1.00 0.00 H new ATOM 425 N ARG A 29 -0.106 0.140 -8.380 1.00 0.00 N ATOM 426 CA ARG A 29 0.979 0.973 -7.876 1.00 0.00 C ATOM 427 C ARG A 29 2.070 0.117 -7.239 1.00 0.00 C ATOM 428 O ARG A 29 2.056 -0.157 -6.039 1.00 0.00 O ATOM 429 CB ARG A 29 0.446 1.981 -6.857 1.00 0.00 C ATOM 430 CG ARG A 29 -0.654 2.876 -7.404 1.00 0.00 C ATOM 431 CD ARG A 29 -1.440 3.540 -6.284 1.00 0.00 C ATOM 432 NE ARG A 29 -0.686 4.617 -5.650 1.00 0.00 N ATOM 433 CZ ARG A 29 -0.428 5.779 -6.239 1.00 0.00 C ATOM 434 NH1 ARG A 29 -0.861 6.013 -7.470 1.00 0.00 N ATOM 435 NH2 ARG A 29 0.265 6.711 -5.596 1.00 0.00 N ATOM 0 H ARG A 29 -0.440 -0.563 -7.720 1.00 0.00 H new ATOM 0 HA ARG A 29 1.410 1.513 -8.719 1.00 0.00 H new ATOM 0 HB2 ARG A 29 0.066 1.441 -5.989 1.00 0.00 H new ATOM 0 HB3 ARG A 29 1.270 2.604 -6.509 1.00 0.00 H new ATOM 0 HG2 ARG A 29 -0.217 3.641 -8.046 1.00 0.00 H new ATOM 0 HG3 ARG A 29 -1.329 2.287 -8.024 1.00 0.00 H new ATOM 0 HD2 ARG A 29 -2.374 3.937 -6.682 1.00 0.00 H new ATOM 0 HD3 ARG A 29 -1.705 2.794 -5.535 1.00 0.00 H new ATOM 0 HE ARG A 29 -0.338 4.469 -4.703 1.00 0.00 H new ATOM 0 HH11 ARG A 29 -1.394 5.300 -7.967 1.00 0.00 H new ATOM 0 HH12 ARG A 29 -0.661 6.906 -7.920 1.00 0.00 H new ATOM 0 HH21 ARG A 29 0.600 6.535 -4.649 1.00 0.00 H new ATOM 0 HH22 ARG A 29 0.463 7.603 -6.049 1.00 0.00 H new ATOM 449 N PRO A 30 3.038 -0.315 -8.060 1.00 0.00 N ATOM 450 CA PRO A 30 4.155 -1.146 -7.599 1.00 0.00 C ATOM 451 C PRO A 30 5.121 -0.375 -6.706 1.00 0.00 C ATOM 452 O PRO A 30 5.358 0.815 -6.913 1.00 0.00 O ATOM 453 CB PRO A 30 4.846 -1.565 -8.899 1.00 0.00 C ATOM 454 CG PRO A 30 4.498 -0.495 -9.875 1.00 0.00 C ATOM 455 CD PRO A 30 3.118 -0.027 -9.502 1.00 0.00 C ATOM 0 HA PRO A 30 3.815 -1.985 -6.992 1.00 0.00 H new ATOM 0 HB2 PRO A 30 5.925 -1.644 -8.766 1.00 0.00 H new ATOM 0 HB3 PRO A 30 4.494 -2.540 -9.238 1.00 0.00 H new ATOM 0 HG2 PRO A 30 5.214 0.325 -9.827 1.00 0.00 H new ATOM 0 HG3 PRO A 30 4.518 -0.876 -10.896 1.00 0.00 H new ATOM 0 HD2 PRO A 30 2.985 1.035 -9.708 1.00 0.00 H new ATOM 0 HD3 PRO A 30 2.348 -0.559 -10.061 1.00 0.00 H new ATOM 463 N GLY A 31 5.678 -1.060 -5.712 1.00 0.00 N ATOM 464 CA GLY A 31 6.612 -0.423 -4.803 1.00 0.00 C ATOM 465 C GLY A 31 5.914 0.344 -3.697 1.00 0.00 C ATOM 466 O GLY A 31 6.134 1.544 -3.529 1.00 0.00 O ATOM 0 H GLY A 31 5.499 -2.046 -5.520 1.00 0.00 H new ATOM 0 HA2 GLY A 31 7.259 -1.181 -4.362 1.00 0.00 H new ATOM 0 HA3 GLY A 31 7.253 0.257 -5.364 1.00 0.00 H new ATOM 470 N LEU A 32 5.070 -0.349 -2.942 1.00 0.00 N ATOM 471 CA LEU A 32 4.335 0.274 -1.846 1.00 0.00 C ATOM 472 C LEU A 32 4.896 -0.163 -0.496 1.00 0.00 C ATOM 473 O LEU A 32 5.563 -1.192 -0.395 1.00 0.00 O ATOM 474 CB LEU A 32 2.850 -0.082 -1.934 1.00 0.00 C ATOM 475 CG LEU A 32 2.114 0.413 -3.179 1.00 0.00 C ATOM 476 CD1 LEU A 32 0.983 -0.537 -3.543 1.00 0.00 C ATOM 477 CD2 LEU A 32 1.581 1.821 -2.959 1.00 0.00 C ATOM 0 H LEU A 32 4.877 -1.343 -3.068 1.00 0.00 H new ATOM 0 HA LEU A 32 4.449 1.355 -1.933 1.00 0.00 H new ATOM 0 HB2 LEU A 32 2.754 -1.167 -1.887 1.00 0.00 H new ATOM 0 HB3 LEU A 32 2.347 0.321 -1.055 1.00 0.00 H new ATOM 0 HG LEU A 32 2.820 0.439 -4.009 1.00 0.00 H new ATOM 0 HD11 LEU A 32 0.470 -0.169 -4.432 1.00 0.00 H new ATOM 0 HD12 LEU A 32 1.390 -1.528 -3.744 1.00 0.00 H new ATOM 0 HD13 LEU A 32 0.277 -0.596 -2.715 1.00 0.00 H new ATOM 0 HD21 LEU A 32 1.060 2.157 -3.856 1.00 0.00 H new ATOM 0 HD22 LEU A 32 0.890 1.821 -2.116 1.00 0.00 H new ATOM 0 HD23 LEU A 32 2.411 2.495 -2.747 1.00 0.00 H new ATOM 489 N GLN A 33 4.617 0.624 0.537 1.00 0.00 N ATOM 490 CA GLN A 33 5.093 0.317 1.881 1.00 0.00 C ATOM 491 C GLN A 33 3.962 0.429 2.898 1.00 0.00 C ATOM 492 O GLN A 33 3.094 1.296 2.783 1.00 0.00 O ATOM 493 CB GLN A 33 6.237 1.256 2.267 1.00 0.00 C ATOM 494 CG GLN A 33 5.814 2.711 2.391 1.00 0.00 C ATOM 495 CD GLN A 33 5.307 3.285 1.083 1.00 0.00 C ATOM 496 OE1 GLN A 33 3.995 3.236 0.883 1.00 0.00 O flip ATOM 497 NE2 GLN A 33 6.086 3.768 0.260 1.00 0.00 N flip ATOM 0 H GLN A 33 4.064 1.479 0.470 1.00 0.00 H new ATOM 0 HA GLN A 33 5.459 -0.710 1.884 1.00 0.00 H new ATOM 0 HB2 GLN A 33 6.661 0.927 3.216 1.00 0.00 H new ATOM 0 HB3 GLN A 33 7.027 1.178 1.520 1.00 0.00 H new ATOM 0 HG2 GLN A 33 5.033 2.795 3.147 1.00 0.00 H new ATOM 0 HG3 GLN A 33 6.660 3.303 2.739 1.00 0.00 H new ATOM 0 HE21 GLN A 33 7.087 3.785 0.454 1.00 0.00 H new ATOM 0 HE22 GLN A 33 5.730 4.151 -0.616 1.00 0.00 H new ATOM 506 N TYR A 34 3.976 -0.452 3.891 1.00 0.00 N ATOM 507 CA TYR A 34 2.950 -0.454 4.927 1.00 0.00 C ATOM 508 C TYR A 34 3.575 -0.345 6.314 1.00 0.00 C ATOM 509 O TYR A 34 4.549 -1.031 6.625 1.00 0.00 O ATOM 510 CB TYR A 34 2.105 -1.726 4.834 1.00 0.00 C ATOM 511 CG TYR A 34 1.560 -1.992 3.449 1.00 0.00 C ATOM 512 CD1 TYR A 34 2.360 -2.556 2.463 1.00 0.00 C ATOM 513 CD2 TYR A 34 0.245 -1.678 3.126 1.00 0.00 C ATOM 514 CE1 TYR A 34 1.867 -2.800 1.196 1.00 0.00 C ATOM 515 CE2 TYR A 34 -0.257 -1.920 1.862 1.00 0.00 C ATOM 516 CZ TYR A 34 0.558 -2.481 0.901 1.00 0.00 C ATOM 517 OH TYR A 34 0.062 -2.722 -0.360 1.00 0.00 O ATOM 0 H TYR A 34 4.687 -1.175 4.001 1.00 0.00 H new ATOM 0 HA TYR A 34 2.309 0.413 4.769 1.00 0.00 H new ATOM 0 HB2 TYR A 34 2.710 -2.577 5.147 1.00 0.00 H new ATOM 0 HB3 TYR A 34 1.273 -1.651 5.534 1.00 0.00 H new ATOM 0 HD1 TYR A 34 3.385 -2.808 2.691 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -0.395 -1.237 3.876 1.00 0.00 H new ATOM 0 HE1 TYR A 34 2.503 -3.238 0.441 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -1.282 -1.671 1.628 1.00 0.00 H new ATOM 0 HH TYR A 34 0.583 -2.217 -1.019 1.00 0.00 H new ATOM 527 N LYS A 35 3.008 0.523 7.145 1.00 0.00 N ATOM 528 CA LYS A 35 3.506 0.723 8.500 1.00 0.00 C ATOM 529 C LYS A 35 2.401 0.493 9.526 1.00 0.00 C ATOM 530 O LYS A 35 1.216 0.631 9.218 1.00 0.00 O ATOM 531 CB LYS A 35 4.073 2.136 8.654 1.00 0.00 C ATOM 532 CG LYS A 35 5.223 2.436 7.708 1.00 0.00 C ATOM 533 CD LYS A 35 6.540 1.898 8.242 1.00 0.00 C ATOM 534 CE LYS A 35 7.706 2.295 7.350 1.00 0.00 C ATOM 535 NZ LYS A 35 7.979 3.757 7.411 1.00 0.00 N ATOM 0 H LYS A 35 2.202 1.100 6.903 1.00 0.00 H new ATOM 0 HA LYS A 35 4.300 -0.002 8.679 1.00 0.00 H new ATOM 0 HB2 LYS A 35 3.275 2.859 8.484 1.00 0.00 H new ATOM 0 HB3 LYS A 35 4.413 2.272 9.681 1.00 0.00 H new ATOM 0 HG2 LYS A 35 5.017 1.995 6.733 1.00 0.00 H new ATOM 0 HG3 LYS A 35 5.302 3.513 7.560 1.00 0.00 H new ATOM 0 HD2 LYS A 35 6.707 2.276 9.251 1.00 0.00 H new ATOM 0 HD3 LYS A 35 6.488 0.812 8.313 1.00 0.00 H new ATOM 0 HE2 LYS A 35 8.598 1.746 7.653 1.00 0.00 H new ATOM 0 HE3 LYS A 35 7.490 2.009 6.321 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 8.893 3.959 6.958 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 7.225 4.272 6.913 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 8.010 4.063 8.404 1.00 0.00 H new ATOM 549 N LEU A 36 2.795 0.144 10.745 1.00 0.00 N ATOM 550 CA LEU A 36 1.837 -0.104 11.817 1.00 0.00 C ATOM 551 C LEU A 36 1.746 1.097 12.754 1.00 0.00 C ATOM 552 O LEU A 36 2.576 1.264 13.649 1.00 0.00 O ATOM 553 CB LEU A 36 2.236 -1.352 12.607 1.00 0.00 C ATOM 554 CG LEU A 36 1.115 -2.039 13.387 1.00 0.00 C ATOM 555 CD1 LEU A 36 0.167 -2.757 12.438 1.00 0.00 C ATOM 556 CD2 LEU A 36 1.692 -3.013 14.404 1.00 0.00 C ATOM 0 H LEU A 36 3.771 0.026 11.016 1.00 0.00 H new ATOM 0 HA LEU A 36 0.858 -0.265 11.366 1.00 0.00 H new ATOM 0 HB2 LEU A 36 2.665 -2.075 11.913 1.00 0.00 H new ATOM 0 HB3 LEU A 36 3.024 -1.077 13.308 1.00 0.00 H new ATOM 0 HG LEU A 36 0.551 -1.276 13.923 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -0.624 -3.240 13.011 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -0.272 -2.036 11.748 1.00 0.00 H new ATOM 0 HD13 LEU A 36 0.718 -3.510 11.874 1.00 0.00 H new ATOM 0 HD21 LEU A 36 0.880 -3.493 14.950 1.00 0.00 H new ATOM 0 HD22 LEU A 36 2.280 -3.772 13.888 1.00 0.00 H new ATOM 0 HD23 LEU A 36 2.330 -2.473 15.104 1.00 0.00 H new ATOM 568 N LEU A 37 0.732 1.929 12.544 1.00 0.00 N ATOM 569 CA LEU A 37 0.530 3.114 13.371 1.00 0.00 C ATOM 570 C LEU A 37 0.696 2.780 14.850 1.00 0.00 C ATOM 571 O LEU A 37 1.472 3.421 15.559 1.00 0.00 O ATOM 572 CB LEU A 37 -0.859 3.703 13.122 1.00 0.00 C ATOM 573 CG LEU A 37 -1.090 4.317 11.741 1.00 0.00 C ATOM 574 CD1 LEU A 37 -2.550 4.708 11.568 1.00 0.00 C ATOM 575 CD2 LEU A 37 -0.185 5.523 11.535 1.00 0.00 C ATOM 0 H LEU A 37 0.037 1.805 11.808 1.00 0.00 H new ATOM 0 HA LEU A 37 1.285 3.851 13.097 1.00 0.00 H new ATOM 0 HB2 LEU A 37 -1.598 2.917 13.276 1.00 0.00 H new ATOM 0 HB3 LEU A 37 -1.047 4.469 13.874 1.00 0.00 H new ATOM 0 HG LEU A 37 -0.843 3.570 10.987 1.00 0.00 H new ATOM 0 HD11 LEU A 37 -2.695 5.143 10.579 1.00 0.00 H new ATOM 0 HD12 LEU A 37 -3.178 3.823 11.671 1.00 0.00 H new ATOM 0 HD13 LEU A 37 -2.824 5.438 12.330 1.00 0.00 H new ATOM 0 HD21 LEU A 37 -0.363 5.947 10.547 1.00 0.00 H new ATOM 0 HD22 LEU A 37 -0.400 6.273 12.296 1.00 0.00 H new ATOM 0 HD23 LEU A 37 0.857 5.214 11.615 1.00 0.00 H new ATOM 587 N SER A 38 -0.037 1.770 15.310 1.00 0.00 N ATOM 588 CA SER A 38 0.028 1.352 16.705 1.00 0.00 C ATOM 589 C SER A 38 -0.783 0.079 16.928 1.00 0.00 C ATOM 590 O SER A 38 -1.661 -0.258 16.134 1.00 0.00 O ATOM 591 CB SER A 38 -0.489 2.465 17.618 1.00 0.00 C ATOM 592 OG SER A 38 -0.266 2.152 18.982 1.00 0.00 O ATOM 0 H SER A 38 -0.682 1.227 14.737 1.00 0.00 H new ATOM 0 HA SER A 38 1.070 1.147 16.949 1.00 0.00 H new ATOM 0 HB2 SER A 38 0.009 3.403 17.371 1.00 0.00 H new ATOM 0 HB3 SER A 38 -1.555 2.615 17.446 1.00 0.00 H new ATOM 0 HG SER A 38 -0.604 2.880 19.544 1.00 0.00 H new ATOM 598 N GLN A 39 -0.480 -0.625 18.015 1.00 0.00 N ATOM 599 CA GLN A 39 -1.179 -1.862 18.343 1.00 0.00 C ATOM 600 C GLN A 39 -1.800 -1.784 19.734 1.00 0.00 C ATOM 601 O GLN A 39 -1.127 -1.440 20.706 1.00 0.00 O ATOM 602 CB GLN A 39 -0.220 -3.051 18.265 1.00 0.00 C ATOM 603 CG GLN A 39 -0.881 -4.386 18.566 1.00 0.00 C ATOM 604 CD GLN A 39 -1.043 -4.635 20.053 1.00 0.00 C ATOM 605 OE1 GLN A 39 -0.251 -4.155 20.864 1.00 0.00 O ATOM 606 NE2 GLN A 39 -2.073 -5.388 20.418 1.00 0.00 N ATOM 0 H GLN A 39 0.244 -0.360 18.682 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.979 -2.002 17.616 1.00 0.00 H new ATOM 0 HB2 GLN A 39 0.218 -3.089 17.268 1.00 0.00 H new ATOM 0 HB3 GLN A 39 0.599 -2.894 18.967 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -1.860 -4.419 18.087 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -0.286 -5.188 18.130 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -2.705 -5.765 19.712 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.233 -5.589 21.405 1.00 0.00 H new ATOM 615 N SER A 40 -3.087 -2.105 19.821 1.00 0.00 N ATOM 616 CA SER A 40 -3.799 -2.067 21.093 1.00 0.00 C ATOM 617 C SER A 40 -4.643 -3.324 21.280 1.00 0.00 C ATOM 618 O SER A 40 -4.999 -3.997 20.313 1.00 0.00 O ATOM 619 CB SER A 40 -4.690 -0.825 21.166 1.00 0.00 C ATOM 620 OG SER A 40 -3.925 0.336 21.436 1.00 0.00 O ATOM 0 H SER A 40 -3.658 -2.394 19.026 1.00 0.00 H new ATOM 0 HA SER A 40 -3.061 -2.023 21.894 1.00 0.00 H new ATOM 0 HB2 SER A 40 -5.225 -0.701 20.224 1.00 0.00 H new ATOM 0 HB3 SER A 40 -5.442 -0.958 21.944 1.00 0.00 H new ATOM 0 HG SER A 40 -4.517 1.116 21.476 1.00 0.00 H new ATOM 626 N GLY A 41 -4.960 -3.635 22.533 1.00 0.00 N ATOM 627 CA GLY A 41 -5.760 -4.810 22.826 1.00 0.00 C ATOM 628 C GLY A 41 -4.956 -5.905 23.501 1.00 0.00 C ATOM 629 O GLY A 41 -3.788 -5.724 23.846 1.00 0.00 O ATOM 0 H GLY A 41 -4.677 -3.094 23.350 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -6.594 -4.527 23.468 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -6.187 -5.195 21.900 1.00 0.00 H new ATOM 633 N PRO A 42 -5.588 -7.071 23.699 1.00 0.00 N ATOM 634 CA PRO A 42 -4.943 -8.222 24.339 1.00 0.00 C ATOM 635 C PRO A 42 -3.863 -8.844 23.461 1.00 0.00 C ATOM 636 O PRO A 42 -3.541 -8.323 22.392 1.00 0.00 O ATOM 637 CB PRO A 42 -6.097 -9.206 24.545 1.00 0.00 C ATOM 638 CG PRO A 42 -7.094 -8.845 23.498 1.00 0.00 C ATOM 639 CD PRO A 42 -6.980 -7.357 23.313 1.00 0.00 C ATOM 0 HA PRO A 42 -4.433 -7.943 25.261 1.00 0.00 H new ATOM 0 HB2 PRO A 42 -5.762 -10.237 24.434 1.00 0.00 H new ATOM 0 HB3 PRO A 42 -6.522 -9.114 25.545 1.00 0.00 H new ATOM 0 HG2 PRO A 42 -6.889 -9.371 22.566 1.00 0.00 H new ATOM 0 HG3 PRO A 42 -8.102 -9.124 23.806 1.00 0.00 H new ATOM 0 HD2 PRO A 42 -7.180 -7.064 22.282 1.00 0.00 H new ATOM 0 HD3 PRO A 42 -7.690 -6.818 23.941 1.00 0.00 H new ATOM 647 N VAL A 43 -3.305 -9.961 23.917 1.00 0.00 N ATOM 648 CA VAL A 43 -2.262 -10.654 23.172 1.00 0.00 C ATOM 649 C VAL A 43 -2.861 -11.632 22.168 1.00 0.00 C ATOM 650 O VAL A 43 -2.254 -11.934 21.140 1.00 0.00 O ATOM 651 CB VAL A 43 -1.314 -11.420 24.114 1.00 0.00 C ATOM 652 CG1 VAL A 43 -2.030 -12.604 24.746 1.00 0.00 C ATOM 653 CG2 VAL A 43 -0.072 -11.877 23.364 1.00 0.00 C ATOM 0 H VAL A 43 -3.558 -10.405 24.800 1.00 0.00 H new ATOM 0 HA VAL A 43 -1.695 -9.891 22.638 1.00 0.00 H new ATOM 0 HB VAL A 43 -1.002 -10.747 24.912 1.00 0.00 H new ATOM 0 HG11 VAL A 43 -1.344 -13.133 25.408 1.00 0.00 H new ATOM 0 HG12 VAL A 43 -2.886 -12.248 25.319 1.00 0.00 H new ATOM 0 HG13 VAL A 43 -2.374 -13.281 23.964 1.00 0.00 H new ATOM 0 HG21 VAL A 43 0.586 -12.416 24.045 1.00 0.00 H new ATOM 0 HG22 VAL A 43 -0.363 -12.534 22.544 1.00 0.00 H new ATOM 0 HG23 VAL A 43 0.452 -11.009 22.965 1.00 0.00 H new ATOM 663 N HIS A 44 -4.059 -12.124 22.471 1.00 0.00 N ATOM 664 CA HIS A 44 -4.742 -13.068 21.594 1.00 0.00 C ATOM 665 C HIS A 44 -5.696 -12.340 20.651 1.00 0.00 C ATOM 666 O HIS A 44 -6.085 -12.874 19.613 1.00 0.00 O ATOM 667 CB HIS A 44 -5.511 -14.099 22.420 1.00 0.00 C ATOM 668 CG HIS A 44 -6.747 -13.550 23.064 1.00 0.00 C ATOM 669 ND1 HIS A 44 -6.741 -12.923 24.292 1.00 0.00 N ATOM 670 CD2 HIS A 44 -8.033 -13.535 22.642 1.00 0.00 C ATOM 671 CE1 HIS A 44 -7.970 -12.548 24.598 1.00 0.00 C ATOM 672 NE2 HIS A 44 -8.773 -12.907 23.613 1.00 0.00 N ATOM 0 H HIS A 44 -4.576 -11.884 23.317 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.989 -13.581 20.996 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -5.787 -14.935 21.777 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.854 -14.496 23.194 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -8.407 -13.941 21.714 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -8.268 -12.035 25.501 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -9.779 -12.744 23.579 1.00 0.00 H new ATOM 681 N ALA A 45 -6.069 -11.119 21.021 1.00 0.00 N ATOM 682 CA ALA A 45 -6.976 -10.319 20.208 1.00 0.00 C ATOM 683 C ALA A 45 -6.417 -8.918 19.980 1.00 0.00 C ATOM 684 O ALA A 45 -7.102 -7.912 20.171 1.00 0.00 O ATOM 685 CB ALA A 45 -8.346 -10.243 20.864 1.00 0.00 C ATOM 0 H ALA A 45 -5.757 -10.663 21.878 1.00 0.00 H new ATOM 0 HA ALA A 45 -7.078 -10.804 19.237 1.00 0.00 H new ATOM 0 HB1 ALA A 45 -9.013 -9.642 20.245 1.00 0.00 H new ATOM 0 HB2 ALA A 45 -8.755 -11.248 20.969 1.00 0.00 H new ATOM 0 HB3 ALA A 45 -8.253 -9.784 21.848 1.00 0.00 H new ATOM 691 N PRO A 46 -5.144 -8.848 19.564 1.00 0.00 N ATOM 692 CA PRO A 46 -4.466 -7.575 19.302 1.00 0.00 C ATOM 693 C PRO A 46 -5.013 -6.870 18.065 1.00 0.00 C ATOM 694 O PRO A 46 -5.598 -7.503 17.186 1.00 0.00 O ATOM 695 CB PRO A 46 -3.009 -7.988 19.082 1.00 0.00 C ATOM 696 CG PRO A 46 -3.082 -9.402 18.618 1.00 0.00 C ATOM 697 CD PRO A 46 -4.269 -10.006 19.316 1.00 0.00 C ATOM 0 HA PRO A 46 -4.604 -6.865 20.117 1.00 0.00 H new ATOM 0 HB2 PRO A 46 -2.525 -7.352 18.340 1.00 0.00 H new ATOM 0 HB3 PRO A 46 -2.430 -7.902 20.002 1.00 0.00 H new ATOM 0 HG2 PRO A 46 -3.199 -9.452 17.535 1.00 0.00 H new ATOM 0 HG3 PRO A 46 -2.168 -9.942 18.865 1.00 0.00 H new ATOM 0 HD2 PRO A 46 -4.761 -10.756 18.696 1.00 0.00 H new ATOM 0 HD3 PRO A 46 -3.981 -10.499 20.245 1.00 0.00 H new ATOM 705 N VAL A 47 -4.817 -5.557 18.003 1.00 0.00 N ATOM 706 CA VAL A 47 -5.290 -4.767 16.872 1.00 0.00 C ATOM 707 C VAL A 47 -4.125 -4.127 16.124 1.00 0.00 C ATOM 708 O VAL A 47 -3.539 -3.148 16.586 1.00 0.00 O ATOM 709 CB VAL A 47 -6.262 -3.662 17.326 1.00 0.00 C ATOM 710 CG1 VAL A 47 -6.815 -2.910 16.125 1.00 0.00 C ATOM 711 CG2 VAL A 47 -7.389 -4.255 18.159 1.00 0.00 C ATOM 0 H VAL A 47 -4.334 -5.018 18.722 1.00 0.00 H new ATOM 0 HA VAL A 47 -5.815 -5.451 16.206 1.00 0.00 H new ATOM 0 HB VAL A 47 -5.715 -2.953 17.947 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.500 -2.133 16.466 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -5.994 -2.453 15.572 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -7.348 -3.604 15.475 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.067 -3.461 18.472 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -7.936 -4.986 17.563 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -6.972 -4.744 19.039 1.00 0.00 H new ATOM 721 N PHE A 48 -3.794 -4.688 14.965 1.00 0.00 N ATOM 722 CA PHE A 48 -2.699 -4.172 14.152 1.00 0.00 C ATOM 723 C PHE A 48 -3.188 -3.074 13.213 1.00 0.00 C ATOM 724 O PHE A 48 -3.798 -3.351 12.179 1.00 0.00 O ATOM 725 CB PHE A 48 -2.060 -5.303 13.344 1.00 0.00 C ATOM 726 CG PHE A 48 -1.226 -6.237 14.174 1.00 0.00 C ATOM 727 CD1 PHE A 48 -1.811 -7.299 14.844 1.00 0.00 C ATOM 728 CD2 PHE A 48 0.143 -6.052 14.284 1.00 0.00 C ATOM 729 CE1 PHE A 48 -1.046 -8.159 15.610 1.00 0.00 C ATOM 730 CE2 PHE A 48 0.913 -6.909 15.047 1.00 0.00 C ATOM 731 CZ PHE A 48 0.318 -7.964 15.710 1.00 0.00 C ATOM 0 H PHE A 48 -4.268 -5.499 14.568 1.00 0.00 H new ATOM 0 HA PHE A 48 -1.952 -3.746 14.822 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -2.846 -5.873 12.849 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -1.437 -4.872 12.560 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -2.877 -7.457 14.767 1.00 0.00 H new ATOM 0 HD2 PHE A 48 0.614 -5.229 13.767 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -1.514 -8.982 16.129 1.00 0.00 H new ATOM 0 HE2 PHE A 48 1.979 -6.754 15.125 1.00 0.00 H new ATOM 0 HZ PHE A 48 0.918 -8.636 16.306 1.00 0.00 H new ATOM 741 N THR A 49 -2.918 -1.825 13.580 1.00 0.00 N ATOM 742 CA THR A 49 -3.331 -0.685 12.772 1.00 0.00 C ATOM 743 C THR A 49 -2.301 -0.373 11.693 1.00 0.00 C ATOM 744 O THR A 49 -1.211 0.119 11.986 1.00 0.00 O ATOM 745 CB THR A 49 -3.545 0.570 13.640 1.00 0.00 C ATOM 746 OG1 THR A 49 -4.415 0.265 14.736 1.00 0.00 O ATOM 747 CG2 THR A 49 -4.136 1.704 12.816 1.00 0.00 C ATOM 0 H THR A 49 -2.415 -1.578 14.432 1.00 0.00 H new ATOM 0 HA THR A 49 -4.275 -0.958 12.300 1.00 0.00 H new ATOM 0 HB THR A 49 -2.576 0.889 14.024 1.00 0.00 H new ATOM 0 HG1 THR A 49 -3.880 0.022 15.520 1.00 0.00 H new ATOM 0 HG21 THR A 49 -4.278 2.579 13.450 1.00 0.00 H new ATOM 0 HG22 THR A 49 -3.457 1.953 12.000 1.00 0.00 H new ATOM 0 HG23 THR A 49 -5.097 1.393 12.406 1.00 0.00 H new ATOM 755 N MET A 50 -2.653 -0.661 10.444 1.00 0.00 N ATOM 756 CA MET A 50 -1.759 -0.409 9.321 1.00 0.00 C ATOM 757 C MET A 50 -2.091 0.919 8.648 1.00 0.00 C ATOM 758 O MET A 50 -3.099 1.551 8.965 1.00 0.00 O ATOM 759 CB MET A 50 -1.851 -1.547 8.302 1.00 0.00 C ATOM 760 CG MET A 50 -0.941 -2.722 8.620 1.00 0.00 C ATOM 761 SD MET A 50 0.753 -2.459 8.061 1.00 0.00 S ATOM 762 CE MET A 50 1.665 -3.374 9.302 1.00 0.00 C ATOM 0 H MET A 50 -3.551 -1.069 10.185 1.00 0.00 H new ATOM 0 HA MET A 50 -0.740 -0.356 9.706 1.00 0.00 H new ATOM 0 HB2 MET A 50 -2.882 -1.899 8.254 1.00 0.00 H new ATOM 0 HB3 MET A 50 -1.600 -1.160 7.314 1.00 0.00 H new ATOM 0 HG2 MET A 50 -0.942 -2.896 9.696 1.00 0.00 H new ATOM 0 HG3 MET A 50 -1.339 -3.622 8.151 1.00 0.00 H new ATOM 0 HE1 MET A 50 2.443 -3.965 8.819 1.00 0.00 H new ATOM 0 HE2 MET A 50 2.122 -2.677 10.005 1.00 0.00 H new ATOM 0 HE3 MET A 50 0.986 -4.037 9.838 1.00 0.00 H new ATOM 772 N SER A 51 -1.238 1.337 7.719 1.00 0.00 N ATOM 773 CA SER A 51 -1.439 2.593 7.005 1.00 0.00 C ATOM 774 C SER A 51 -0.567 2.653 5.755 1.00 0.00 C ATOM 775 O SER A 51 0.614 2.307 5.790 1.00 0.00 O ATOM 776 CB SER A 51 -1.124 3.779 7.918 1.00 0.00 C ATOM 777 OG SER A 51 0.220 3.737 8.363 1.00 0.00 O ATOM 0 H SER A 51 -0.401 0.824 7.443 1.00 0.00 H new ATOM 0 HA SER A 51 -2.484 2.646 6.700 1.00 0.00 H new ATOM 0 HB2 SER A 51 -1.304 4.712 7.383 1.00 0.00 H new ATOM 0 HB3 SER A 51 -1.795 3.769 8.777 1.00 0.00 H new ATOM 0 HG SER A 51 0.397 4.506 8.944 1.00 0.00 H new ATOM 783 N VAL A 52 -1.159 3.094 4.649 1.00 0.00 N ATOM 784 CA VAL A 52 -0.437 3.201 3.387 1.00 0.00 C ATOM 785 C VAL A 52 -0.720 4.534 2.703 1.00 0.00 C ATOM 786 O VAL A 52 -1.843 5.038 2.744 1.00 0.00 O ATOM 787 CB VAL A 52 -0.811 2.055 2.428 1.00 0.00 C ATOM 788 CG1 VAL A 52 -2.224 2.243 1.896 1.00 0.00 C ATOM 789 CG2 VAL A 52 0.190 1.969 1.285 1.00 0.00 C ATOM 0 H VAL A 52 -2.136 3.383 4.602 1.00 0.00 H new ATOM 0 HA VAL A 52 0.625 3.136 3.623 1.00 0.00 H new ATOM 0 HB VAL A 52 -0.778 1.116 2.981 1.00 0.00 H new ATOM 0 HG11 VAL A 52 -2.470 1.424 1.220 1.00 0.00 H new ATOM 0 HG12 VAL A 52 -2.928 2.251 2.728 1.00 0.00 H new ATOM 0 HG13 VAL A 52 -2.287 3.189 1.358 1.00 0.00 H new ATOM 0 HG21 VAL A 52 -0.089 1.154 0.617 1.00 0.00 H new ATOM 0 HG22 VAL A 52 0.191 2.908 0.731 1.00 0.00 H new ATOM 0 HG23 VAL A 52 1.186 1.783 1.687 1.00 0.00 H new ATOM 799 N ASP A 53 0.304 5.100 2.075 1.00 0.00 N ATOM 800 CA ASP A 53 0.166 6.374 1.380 1.00 0.00 C ATOM 801 C ASP A 53 -0.026 6.159 -0.118 1.00 0.00 C ATOM 802 O ASP A 53 0.861 5.647 -0.801 1.00 0.00 O ATOM 803 CB ASP A 53 1.395 7.251 1.628 1.00 0.00 C ATOM 804 CG ASP A 53 2.686 6.564 1.229 1.00 0.00 C ATOM 805 OD1 ASP A 53 3.214 5.776 2.041 1.00 0.00 O ATOM 806 OD2 ASP A 53 3.169 6.815 0.105 1.00 0.00 O ATOM 0 H ASP A 53 1.240 4.696 2.033 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.717 6.879 1.772 1.00 0.00 H new ATOM 0 HB2 ASP A 53 1.293 8.181 1.068 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.440 7.518 2.684 1.00 0.00 H new ATOM 811 N VAL A 54 -1.191 6.552 -0.623 1.00 0.00 N ATOM 812 CA VAL A 54 -1.500 6.402 -2.040 1.00 0.00 C ATOM 813 C VAL A 54 -2.284 7.601 -2.561 1.00 0.00 C ATOM 814 O VAL A 54 -3.215 8.077 -1.912 1.00 0.00 O ATOM 815 CB VAL A 54 -2.310 5.119 -2.305 1.00 0.00 C ATOM 816 CG1 VAL A 54 -2.667 5.007 -3.779 1.00 0.00 C ATOM 817 CG2 VAL A 54 -1.535 3.895 -1.841 1.00 0.00 C ATOM 0 H VAL A 54 -1.937 6.977 -0.072 1.00 0.00 H new ATOM 0 HA VAL A 54 -0.548 6.337 -2.567 1.00 0.00 H new ATOM 0 HB VAL A 54 -3.237 5.171 -1.735 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -3.239 4.094 -3.947 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -3.264 5.869 -4.075 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -1.754 4.977 -4.373 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -2.122 2.997 -2.036 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -0.591 3.836 -2.382 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -1.336 3.974 -0.772 1.00 0.00 H new ATOM 827 N ASP A 55 -1.902 8.084 -3.738 1.00 0.00 N ATOM 828 CA ASP A 55 -2.570 9.228 -4.349 1.00 0.00 C ATOM 829 C ASP A 55 -2.797 10.335 -3.324 1.00 0.00 C ATOM 830 O ASP A 55 -3.904 10.855 -3.193 1.00 0.00 O ATOM 831 CB ASP A 55 -3.905 8.799 -4.960 1.00 0.00 C ATOM 832 CG ASP A 55 -4.834 8.174 -3.938 1.00 0.00 C ATOM 833 OD1 ASP A 55 -5.375 8.918 -3.094 1.00 0.00 O ATOM 834 OD2 ASP A 55 -5.022 6.940 -3.985 1.00 0.00 O ATOM 0 H ASP A 55 -1.133 7.701 -4.288 1.00 0.00 H new ATOM 0 HA ASP A 55 -1.926 9.615 -5.139 1.00 0.00 H new ATOM 0 HB2 ASP A 55 -4.392 9.666 -5.408 1.00 0.00 H new ATOM 0 HB3 ASP A 55 -3.721 8.086 -5.764 1.00 0.00 H new ATOM 839 N GLY A 56 -1.740 10.690 -2.599 1.00 0.00 N ATOM 840 CA GLY A 56 -1.846 11.733 -1.595 1.00 0.00 C ATOM 841 C GLY A 56 -2.956 11.466 -0.598 1.00 0.00 C ATOM 842 O GLY A 56 -3.533 12.397 -0.035 1.00 0.00 O ATOM 0 H GLY A 56 -0.813 10.274 -2.689 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -0.898 11.820 -1.064 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -2.025 12.689 -2.086 1.00 0.00 H new ATOM 846 N THR A 57 -3.258 10.190 -0.377 1.00 0.00 N ATOM 847 CA THR A 57 -4.307 9.804 0.557 1.00 0.00 C ATOM 848 C THR A 57 -3.816 8.733 1.524 1.00 0.00 C ATOM 849 O THR A 57 -3.642 7.574 1.148 1.00 0.00 O ATOM 850 CB THR A 57 -5.552 9.278 -0.183 1.00 0.00 C ATOM 851 OG1 THR A 57 -6.003 10.249 -1.134 1.00 0.00 O ATOM 852 CG2 THR A 57 -6.672 8.963 0.798 1.00 0.00 C ATOM 0 H THR A 57 -2.790 9.407 -0.833 1.00 0.00 H new ATOM 0 HA THR A 57 -4.576 10.700 1.117 1.00 0.00 H new ATOM 0 HB THR A 57 -5.278 8.360 -0.703 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.450 10.198 -1.941 1.00 0.00 H new ATOM 0 HG21 THR A 57 -7.540 8.593 0.252 1.00 0.00 H new ATOM 0 HG22 THR A 57 -6.335 8.202 1.503 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.944 9.867 1.343 1.00 0.00 H new ATOM 860 N THR A 58 -3.593 9.129 2.774 1.00 0.00 N ATOM 861 CA THR A 58 -3.121 8.203 3.796 1.00 0.00 C ATOM 862 C THR A 58 -4.264 7.356 4.341 1.00 0.00 C ATOM 863 O THR A 58 -5.127 7.852 5.066 1.00 0.00 O ATOM 864 CB THR A 58 -2.449 8.950 4.963 1.00 0.00 C ATOM 865 OG1 THR A 58 -1.406 9.798 4.468 1.00 0.00 O ATOM 866 CG2 THR A 58 -1.874 7.970 5.974 1.00 0.00 C ATOM 0 H THR A 58 -3.732 10.085 3.102 1.00 0.00 H new ATOM 0 HA THR A 58 -2.387 7.553 3.319 1.00 0.00 H new ATOM 0 HB THR A 58 -3.206 9.558 5.459 1.00 0.00 H new ATOM 0 HG1 THR A 58 -0.985 10.270 5.217 1.00 0.00 H new ATOM 0 HG21 THR A 58 -1.405 8.521 6.789 1.00 0.00 H new ATOM 0 HG22 THR A 58 -2.674 7.346 6.372 1.00 0.00 H new ATOM 0 HG23 THR A 58 -1.130 7.339 5.487 1.00 0.00 H new ATOM 874 N TYR A 59 -4.266 6.075 3.988 1.00 0.00 N ATOM 875 CA TYR A 59 -5.306 5.159 4.441 1.00 0.00 C ATOM 876 C TYR A 59 -4.898 4.472 5.741 1.00 0.00 C ATOM 877 O TYR A 59 -3.712 4.351 6.046 1.00 0.00 O ATOM 878 CB TYR A 59 -5.593 4.109 3.366 1.00 0.00 C ATOM 879 CG TYR A 59 -6.097 4.696 2.067 1.00 0.00 C ATOM 880 CD1 TYR A 59 -5.211 5.144 1.094 1.00 0.00 C ATOM 881 CD2 TYR A 59 -7.458 4.802 1.811 1.00 0.00 C ATOM 882 CE1 TYR A 59 -5.666 5.681 -0.094 1.00 0.00 C ATOM 883 CE2 TYR A 59 -7.923 5.336 0.625 1.00 0.00 C ATOM 884 CZ TYR A 59 -7.023 5.775 -0.324 1.00 0.00 C ATOM 885 OH TYR A 59 -7.481 6.309 -1.507 1.00 0.00 O ATOM 0 H TYR A 59 -3.559 5.648 3.390 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.210 5.739 4.625 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.682 3.543 3.170 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.331 3.403 3.747 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -4.148 5.071 1.270 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -8.165 4.461 2.552 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -4.964 6.025 -0.839 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -8.985 5.409 0.442 1.00 0.00 H new ATOM 0 HH TYR A 59 -6.832 6.131 -2.219 1.00 0.00 H new ATOM 895 N GLU A 60 -5.891 4.024 6.503 1.00 0.00 N ATOM 896 CA GLU A 60 -5.637 3.350 7.771 1.00 0.00 C ATOM 897 C GLU A 60 -6.719 2.315 8.063 1.00 0.00 C ATOM 898 O GLU A 60 -7.904 2.642 8.130 1.00 0.00 O ATOM 899 CB GLU A 60 -5.568 4.369 8.910 1.00 0.00 C ATOM 900 CG GLU A 60 -4.422 5.357 8.775 1.00 0.00 C ATOM 901 CD GLU A 60 -4.633 6.612 9.600 1.00 0.00 C ATOM 902 OE1 GLU A 60 -4.721 6.497 10.841 1.00 0.00 O ATOM 903 OE2 GLU A 60 -4.711 7.707 9.006 1.00 0.00 O ATOM 0 H GLU A 60 -6.878 4.116 6.264 1.00 0.00 H new ATOM 0 HA GLU A 60 -4.679 2.836 7.695 1.00 0.00 H new ATOM 0 HB2 GLU A 60 -6.508 4.919 8.951 1.00 0.00 H new ATOM 0 HB3 GLU A 60 -5.468 3.837 9.856 1.00 0.00 H new ATOM 0 HG2 GLU A 60 -3.494 4.876 9.084 1.00 0.00 H new ATOM 0 HG3 GLU A 60 -4.305 5.631 7.727 1.00 0.00 H new ATOM 910 N ALA A 61 -6.303 1.065 8.236 1.00 0.00 N ATOM 911 CA ALA A 61 -7.236 -0.018 8.523 1.00 0.00 C ATOM 912 C ALA A 61 -6.693 -0.935 9.614 1.00 0.00 C ATOM 913 O ALA A 61 -5.560 -1.409 9.533 1.00 0.00 O ATOM 914 CB ALA A 61 -7.527 -0.813 7.259 1.00 0.00 C ATOM 0 H ALA A 61 -5.326 0.777 8.182 1.00 0.00 H new ATOM 0 HA ALA A 61 -8.166 0.422 8.884 1.00 0.00 H new ATOM 0 HB1 ALA A 61 -8.225 -1.618 7.488 1.00 0.00 H new ATOM 0 HB2 ALA A 61 -7.966 -0.155 6.508 1.00 0.00 H new ATOM 0 HB3 ALA A 61 -6.599 -1.236 6.873 1.00 0.00 H new ATOM 920 N SER A 62 -7.509 -1.181 10.634 1.00 0.00 N ATOM 921 CA SER A 62 -7.109 -2.039 11.743 1.00 0.00 C ATOM 922 C SER A 62 -7.731 -3.425 11.610 1.00 0.00 C ATOM 923 O SER A 62 -8.876 -3.566 11.182 1.00 0.00 O ATOM 924 CB SER A 62 -7.519 -1.409 13.076 1.00 0.00 C ATOM 925 OG SER A 62 -8.917 -1.179 13.123 1.00 0.00 O ATOM 0 H SER A 62 -8.451 -0.798 10.715 1.00 0.00 H new ATOM 0 HA SER A 62 -6.024 -2.143 11.716 1.00 0.00 H new ATOM 0 HB2 SER A 62 -7.227 -2.065 13.897 1.00 0.00 H new ATOM 0 HB3 SER A 62 -6.988 -0.468 13.216 1.00 0.00 H new ATOM 0 HG SER A 62 -9.154 -0.778 13.985 1.00 0.00 H new ATOM 931 N GLY A 63 -6.967 -4.448 11.982 1.00 0.00 N ATOM 932 CA GLY A 63 -7.459 -5.811 11.897 1.00 0.00 C ATOM 933 C GLY A 63 -6.949 -6.683 13.026 1.00 0.00 C ATOM 934 O GLY A 63 -6.095 -6.278 13.815 1.00 0.00 O ATOM 0 H GLY A 63 -6.016 -4.357 12.341 1.00 0.00 H new ATOM 0 HA2 GLY A 63 -8.549 -5.802 11.913 1.00 0.00 H new ATOM 0 HA3 GLY A 63 -7.158 -6.244 10.943 1.00 0.00 H new ATOM 938 N PRO A 64 -7.478 -7.912 13.116 1.00 0.00 N ATOM 939 CA PRO A 64 -7.087 -8.869 14.155 1.00 0.00 C ATOM 940 C PRO A 64 -5.667 -9.389 13.958 1.00 0.00 C ATOM 941 O PRO A 64 -5.119 -10.070 14.825 1.00 0.00 O ATOM 942 CB PRO A 64 -8.100 -10.005 13.991 1.00 0.00 C ATOM 943 CG PRO A 64 -8.535 -9.922 12.569 1.00 0.00 C ATOM 944 CD PRO A 64 -8.501 -8.462 12.210 1.00 0.00 C ATOM 0 HA PRO A 64 -7.090 -8.418 15.147 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -7.649 -10.973 14.211 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -8.944 -9.884 14.671 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -7.872 -10.498 11.924 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -9.537 -10.332 12.443 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -8.234 -8.311 11.164 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.470 -7.988 12.363 1.00 0.00 H new ATOM 952 N SER A 65 -5.076 -9.064 12.813 1.00 0.00 N ATOM 953 CA SER A 65 -3.720 -9.502 12.501 1.00 0.00 C ATOM 954 C SER A 65 -3.072 -8.574 11.478 1.00 0.00 C ATOM 955 O SER A 65 -3.739 -7.736 10.871 1.00 0.00 O ATOM 956 CB SER A 65 -3.734 -10.936 11.968 1.00 0.00 C ATOM 957 OG SER A 65 -3.773 -11.874 13.030 1.00 0.00 O ATOM 0 H SER A 65 -5.514 -8.499 12.086 1.00 0.00 H new ATOM 0 HA SER A 65 -3.134 -9.469 13.419 1.00 0.00 H new ATOM 0 HB2 SER A 65 -4.599 -11.078 11.321 1.00 0.00 H new ATOM 0 HB3 SER A 65 -2.848 -11.109 11.358 1.00 0.00 H new ATOM 0 HG SER A 65 -4.183 -11.459 13.818 1.00 0.00 H new ATOM 963 N LYS A 66 -1.765 -8.730 11.292 1.00 0.00 N ATOM 964 CA LYS A 66 -1.024 -7.908 10.342 1.00 0.00 C ATOM 965 C LYS A 66 -1.438 -8.225 8.909 1.00 0.00 C ATOM 966 O LYS A 66 -1.776 -7.328 8.137 1.00 0.00 O ATOM 967 CB LYS A 66 0.481 -8.131 10.510 1.00 0.00 C ATOM 968 CG LYS A 66 1.322 -6.934 10.103 1.00 0.00 C ATOM 969 CD LYS A 66 2.777 -7.111 10.505 1.00 0.00 C ATOM 970 CE LYS A 66 2.959 -6.981 12.009 1.00 0.00 C ATOM 971 NZ LYS A 66 4.389 -6.793 12.381 1.00 0.00 N ATOM 0 H LYS A 66 -1.197 -9.418 11.787 1.00 0.00 H new ATOM 0 HA LYS A 66 -1.256 -6.863 10.546 1.00 0.00 H new ATOM 0 HB2 LYS A 66 0.690 -8.374 11.552 1.00 0.00 H new ATOM 0 HB3 LYS A 66 0.781 -8.994 9.915 1.00 0.00 H new ATOM 0 HG2 LYS A 66 1.256 -6.792 9.024 1.00 0.00 H new ATOM 0 HG3 LYS A 66 0.922 -6.033 10.568 1.00 0.00 H new ATOM 0 HD2 LYS A 66 3.130 -8.089 10.178 1.00 0.00 H new ATOM 0 HD3 LYS A 66 3.389 -6.365 9.998 1.00 0.00 H new ATOM 0 HE2 LYS A 66 2.375 -6.136 12.374 1.00 0.00 H new ATOM 0 HE3 LYS A 66 2.570 -7.873 12.500 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 4.471 -6.709 13.414 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 4.943 -7.611 12.056 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 4.753 -5.928 11.933 1.00 0.00 H new ATOM 985 N LYS A 67 -1.412 -9.507 8.560 1.00 0.00 N ATOM 986 CA LYS A 67 -1.788 -9.943 7.220 1.00 0.00 C ATOM 987 C LYS A 67 -3.138 -9.359 6.816 1.00 0.00 C ATOM 988 O LYS A 67 -3.322 -8.921 5.680 1.00 0.00 O ATOM 989 CB LYS A 67 -1.842 -11.471 7.156 1.00 0.00 C ATOM 990 CG LYS A 67 -2.819 -12.087 8.142 1.00 0.00 C ATOM 991 CD LYS A 67 -2.772 -13.606 8.098 1.00 0.00 C ATOM 992 CE LYS A 67 -3.901 -14.222 8.911 1.00 0.00 C ATOM 993 NZ LYS A 67 -3.573 -14.279 10.362 1.00 0.00 N ATOM 0 H LYS A 67 -1.134 -10.262 9.187 1.00 0.00 H new ATOM 0 HA LYS A 67 -1.033 -9.582 6.522 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -2.118 -11.774 6.146 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -0.846 -11.870 7.347 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -2.585 -11.744 9.150 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -3.829 -11.747 7.916 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -2.841 -13.943 7.064 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -1.813 -13.953 8.483 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -4.811 -13.640 8.767 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -4.105 -15.228 8.545 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -4.367 -14.705 10.881 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -2.719 -14.855 10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -3.404 -13.317 10.718 1.00 0.00 H new ATOM 1007 N THR A 68 -4.080 -9.354 7.754 1.00 0.00 N ATOM 1008 CA THR A 68 -5.413 -8.823 7.496 1.00 0.00 C ATOM 1009 C THR A 68 -5.382 -7.306 7.354 1.00 0.00 C ATOM 1010 O THR A 68 -5.739 -6.763 6.309 1.00 0.00 O ATOM 1011 CB THR A 68 -6.396 -9.203 8.619 1.00 0.00 C ATOM 1012 OG1 THR A 68 -5.699 -9.311 9.865 1.00 0.00 O ATOM 1013 CG2 THR A 68 -7.093 -10.518 8.306 1.00 0.00 C ATOM 0 H THR A 68 -3.944 -9.712 8.700 1.00 0.00 H new ATOM 0 HA THR A 68 -5.754 -9.266 6.560 1.00 0.00 H new ATOM 0 HB THR A 68 -7.150 -8.419 8.692 1.00 0.00 H new ATOM 0 HG1 THR A 68 -5.112 -8.535 9.980 1.00 0.00 H new ATOM 0 HG21 THR A 68 -7.782 -10.766 9.113 1.00 0.00 H new ATOM 0 HG22 THR A 68 -7.647 -10.423 7.372 1.00 0.00 H new ATOM 0 HG23 THR A 68 -6.350 -11.309 8.208 1.00 0.00 H new ATOM 1021 N ALA A 69 -4.953 -6.626 8.413 1.00 0.00 N ATOM 1022 CA ALA A 69 -4.873 -5.170 8.405 1.00 0.00 C ATOM 1023 C ALA A 69 -4.411 -4.653 7.046 1.00 0.00 C ATOM 1024 O ALA A 69 -5.131 -3.914 6.374 1.00 0.00 O ATOM 1025 CB ALA A 69 -3.937 -4.687 9.502 1.00 0.00 C ATOM 0 H ALA A 69 -4.656 -7.060 9.287 1.00 0.00 H new ATOM 0 HA ALA A 69 -5.871 -4.775 8.594 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -3.887 -3.598 9.484 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -4.311 -5.017 10.471 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -2.941 -5.099 9.338 1.00 0.00 H new ATOM 1031 N LYS A 70 -3.206 -5.046 6.648 1.00 0.00 N ATOM 1032 CA LYS A 70 -2.647 -4.623 5.369 1.00 0.00 C ATOM 1033 C LYS A 70 -3.658 -4.817 4.243 1.00 0.00 C ATOM 1034 O LYS A 70 -3.695 -4.040 3.288 1.00 0.00 O ATOM 1035 CB LYS A 70 -1.370 -5.408 5.063 1.00 0.00 C ATOM 1036 CG LYS A 70 -0.109 -4.750 5.598 1.00 0.00 C ATOM 1037 CD LYS A 70 1.035 -5.744 5.708 1.00 0.00 C ATOM 1038 CE LYS A 70 1.665 -6.020 4.351 1.00 0.00 C ATOM 1039 NZ LYS A 70 3.029 -6.604 4.482 1.00 0.00 N ATOM 0 H LYS A 70 -2.597 -5.657 7.193 1.00 0.00 H new ATOM 0 HA LYS A 70 -2.406 -3.562 5.439 1.00 0.00 H new ATOM 0 HB2 LYS A 70 -1.457 -6.408 5.489 1.00 0.00 H new ATOM 0 HB3 LYS A 70 -1.277 -5.528 3.984 1.00 0.00 H new ATOM 0 HG2 LYS A 70 0.182 -3.931 4.941 1.00 0.00 H new ATOM 0 HG3 LYS A 70 -0.311 -4.317 6.578 1.00 0.00 H new ATOM 0 HD2 LYS A 70 1.792 -5.356 6.390 1.00 0.00 H new ATOM 0 HD3 LYS A 70 0.668 -6.677 6.137 1.00 0.00 H new ATOM 0 HE2 LYS A 70 1.030 -6.704 3.788 1.00 0.00 H new ATOM 0 HE3 LYS A 70 1.720 -5.093 3.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 3.425 -6.778 3.536 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 3.642 -5.941 4.997 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 2.974 -7.502 5.004 1.00 0.00 H new ATOM 1053 N LEU A 71 -4.476 -5.856 4.361 1.00 0.00 N ATOM 1054 CA LEU A 71 -5.489 -6.151 3.354 1.00 0.00 C ATOM 1055 C LEU A 71 -6.662 -5.183 3.461 1.00 0.00 C ATOM 1056 O LEU A 71 -7.107 -4.616 2.462 1.00 0.00 O ATOM 1057 CB LEU A 71 -5.985 -7.590 3.506 1.00 0.00 C ATOM 1058 CG LEU A 71 -6.887 -8.112 2.387 1.00 0.00 C ATOM 1059 CD1 LEU A 71 -6.097 -8.280 1.099 1.00 0.00 C ATOM 1060 CD2 LEU A 71 -7.534 -9.428 2.794 1.00 0.00 C ATOM 0 H LEU A 71 -4.458 -6.509 5.144 1.00 0.00 H new ATOM 0 HA LEU A 71 -5.033 -6.033 2.371 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -5.118 -8.246 3.582 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -6.527 -7.668 4.448 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.676 -7.381 2.212 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -6.755 -8.652 0.314 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -5.682 -7.318 0.799 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -5.286 -8.991 1.260 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -8.172 -9.785 1.986 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -6.759 -10.167 2.997 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -8.135 -9.276 3.691 1.00 0.00 H new ATOM 1072 N HIS A 72 -7.160 -4.996 4.679 1.00 0.00 N ATOM 1073 CA HIS A 72 -8.280 -4.094 4.918 1.00 0.00 C ATOM 1074 C HIS A 72 -7.982 -2.701 4.370 1.00 0.00 C ATOM 1075 O HIS A 72 -8.884 -1.994 3.921 1.00 0.00 O ATOM 1076 CB HIS A 72 -8.587 -4.012 6.414 1.00 0.00 C ATOM 1077 CG HIS A 72 -9.163 -5.274 6.978 1.00 0.00 C ATOM 1078 ND1 HIS A 72 -9.940 -5.304 8.116 1.00 0.00 N ATOM 1079 CD2 HIS A 72 -9.072 -6.556 6.552 1.00 0.00 C ATOM 1080 CE1 HIS A 72 -10.301 -6.549 8.367 1.00 0.00 C ATOM 1081 NE2 HIS A 72 -9.788 -7.329 7.433 1.00 0.00 N ATOM 0 H HIS A 72 -6.805 -5.458 5.516 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.152 -4.491 4.398 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -7.671 -3.769 6.952 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -9.286 -3.194 6.589 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -8.536 -6.906 5.682 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -10.912 -6.874 9.196 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -9.905 -8.341 7.375 1.00 0.00 H new ATOM 1090 N VAL A 73 -6.712 -2.314 4.411 1.00 0.00 N ATOM 1091 CA VAL A 73 -6.295 -1.006 3.919 1.00 0.00 C ATOM 1092 C VAL A 73 -6.507 -0.893 2.414 1.00 0.00 C ATOM 1093 O VAL A 73 -7.196 0.011 1.940 1.00 0.00 O ATOM 1094 CB VAL A 73 -4.814 -0.732 4.240 1.00 0.00 C ATOM 1095 CG1 VAL A 73 -4.292 0.428 3.405 1.00 0.00 C ATOM 1096 CG2 VAL A 73 -4.633 -0.455 5.724 1.00 0.00 C ATOM 0 H VAL A 73 -5.953 -2.887 4.780 1.00 0.00 H new ATOM 0 HA VAL A 73 -6.912 -0.265 4.427 1.00 0.00 H new ATOM 0 HB VAL A 73 -4.235 -1.620 3.986 1.00 0.00 H new ATOM 0 HG11 VAL A 73 -3.244 0.607 3.646 1.00 0.00 H new ATOM 0 HG12 VAL A 73 -4.385 0.185 2.346 1.00 0.00 H new ATOM 0 HG13 VAL A 73 -4.873 1.324 3.624 1.00 0.00 H new ATOM 0 HG21 VAL A 73 -3.580 -0.264 5.933 1.00 0.00 H new ATOM 0 HG22 VAL A 73 -5.223 0.417 6.006 1.00 0.00 H new ATOM 0 HG23 VAL A 73 -4.965 -1.319 6.299 1.00 0.00 H new ATOM 1106 N ALA A 74 -5.911 -1.816 1.666 1.00 0.00 N ATOM 1107 CA ALA A 74 -6.037 -1.821 0.214 1.00 0.00 C ATOM 1108 C ALA A 74 -7.490 -1.641 -0.212 1.00 0.00 C ATOM 1109 O ALA A 74 -7.804 -0.776 -1.030 1.00 0.00 O ATOM 1110 CB ALA A 74 -5.473 -3.113 -0.360 1.00 0.00 C ATOM 0 H ALA A 74 -5.336 -2.570 2.042 1.00 0.00 H new ATOM 0 HA ALA A 74 -5.464 -0.981 -0.178 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -5.574 -3.103 -1.445 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -4.420 -3.200 -0.094 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.021 -3.962 0.048 1.00 0.00 H new ATOM 1116 N VAL A 75 -8.372 -2.462 0.348 1.00 0.00 N ATOM 1117 CA VAL A 75 -9.793 -2.393 0.026 1.00 0.00 C ATOM 1118 C VAL A 75 -10.295 -0.954 0.067 1.00 0.00 C ATOM 1119 O VAL A 75 -11.143 -0.557 -0.733 1.00 0.00 O ATOM 1120 CB VAL A 75 -10.630 -3.246 0.997 1.00 0.00 C ATOM 1121 CG1 VAL A 75 -12.112 -3.114 0.681 1.00 0.00 C ATOM 1122 CG2 VAL A 75 -10.192 -4.701 0.941 1.00 0.00 C ATOM 0 H VAL A 75 -8.128 -3.183 1.027 1.00 0.00 H new ATOM 0 HA VAL A 75 -9.910 -2.787 -0.984 1.00 0.00 H new ATOM 0 HB VAL A 75 -10.465 -2.880 2.010 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -12.688 -3.724 1.377 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -12.413 -2.071 0.777 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -12.298 -3.453 -0.338 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -10.794 -5.289 1.634 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -10.326 -5.083 -0.071 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -9.141 -4.776 1.220 1.00 0.00 H new ATOM 1132 N LYS A 76 -9.767 -0.175 1.005 1.00 0.00 N ATOM 1133 CA LYS A 76 -10.160 1.222 1.151 1.00 0.00 C ATOM 1134 C LYS A 76 -9.602 2.066 0.010 1.00 0.00 C ATOM 1135 O LYS A 76 -10.295 2.921 -0.540 1.00 0.00 O ATOM 1136 CB LYS A 76 -9.673 1.772 2.493 1.00 0.00 C ATOM 1137 CG LYS A 76 -10.214 1.015 3.693 1.00 0.00 C ATOM 1138 CD LYS A 76 -9.629 1.541 4.994 1.00 0.00 C ATOM 1139 CE LYS A 76 -10.475 2.666 5.571 1.00 0.00 C ATOM 1140 NZ LYS A 76 -10.329 2.767 7.049 1.00 0.00 N ATOM 0 H LYS A 76 -9.065 -0.488 1.676 1.00 0.00 H new ATOM 0 HA LYS A 76 -11.248 1.273 1.118 1.00 0.00 H new ATOM 0 HB2 LYS A 76 -8.584 1.741 2.515 1.00 0.00 H new ATOM 0 HB3 LYS A 76 -9.963 2.819 2.574 1.00 0.00 H new ATOM 0 HG2 LYS A 76 -11.300 1.102 3.720 1.00 0.00 H new ATOM 0 HG3 LYS A 76 -9.982 -0.045 3.591 1.00 0.00 H new ATOM 0 HD2 LYS A 76 -9.559 0.729 5.718 1.00 0.00 H new ATOM 0 HD3 LYS A 76 -8.615 1.900 4.819 1.00 0.00 H new ATOM 0 HE2 LYS A 76 -10.185 3.611 5.112 1.00 0.00 H new ATOM 0 HE3 LYS A 76 -11.522 2.498 5.320 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 -10.463 3.755 7.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 -11.043 2.168 7.510 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 -9.379 2.448 7.327 1.00 0.00 H new ATOM 1154 N VAL A 77 -8.344 1.819 -0.342 1.00 0.00 N ATOM 1155 CA VAL A 77 -7.693 2.555 -1.420 1.00 0.00 C ATOM 1156 C VAL A 77 -8.450 2.390 -2.733 1.00 0.00 C ATOM 1157 O VAL A 77 -8.823 3.372 -3.375 1.00 0.00 O ATOM 1158 CB VAL A 77 -6.238 2.091 -1.617 1.00 0.00 C ATOM 1159 CG1 VAL A 77 -5.503 3.026 -2.566 1.00 0.00 C ATOM 1160 CG2 VAL A 77 -5.520 2.006 -0.278 1.00 0.00 C ATOM 0 H VAL A 77 -7.755 1.115 0.103 1.00 0.00 H new ATOM 0 HA VAL A 77 -7.695 3.606 -1.132 1.00 0.00 H new ATOM 0 HB VAL A 77 -6.250 1.096 -2.062 1.00 0.00 H new ATOM 0 HG11 VAL A 77 -4.476 2.682 -2.693 1.00 0.00 H new ATOM 0 HG12 VAL A 77 -6.006 3.032 -3.533 1.00 0.00 H new ATOM 0 HG13 VAL A 77 -5.499 4.035 -2.153 1.00 0.00 H new ATOM 0 HG21 VAL A 77 -4.493 1.677 -0.436 1.00 0.00 H new ATOM 0 HG22 VAL A 77 -5.517 2.987 0.196 1.00 0.00 H new ATOM 0 HG23 VAL A 77 -6.035 1.293 0.366 1.00 0.00 H new ATOM 1170 N LEU A 78 -8.673 1.141 -3.127 1.00 0.00 N ATOM 1171 CA LEU A 78 -9.387 0.846 -4.365 1.00 0.00 C ATOM 1172 C LEU A 78 -10.776 1.475 -4.356 1.00 0.00 C ATOM 1173 O LEU A 78 -11.187 2.109 -5.328 1.00 0.00 O ATOM 1174 CB LEU A 78 -9.501 -0.667 -4.563 1.00 0.00 C ATOM 1175 CG LEU A 78 -8.195 -1.456 -4.467 1.00 0.00 C ATOM 1176 CD1 LEU A 78 -8.470 -2.951 -4.520 1.00 0.00 C ATOM 1177 CD2 LEU A 78 -7.241 -1.047 -5.580 1.00 0.00 C ATOM 0 H LEU A 78 -8.370 0.317 -2.608 1.00 0.00 H new ATOM 0 HA LEU A 78 -8.821 1.273 -5.193 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -10.195 -1.059 -3.820 1.00 0.00 H new ATOM 0 HB3 LEU A 78 -9.944 -0.853 -5.542 1.00 0.00 H new ATOM 0 HG LEU A 78 -7.724 -1.228 -3.511 1.00 0.00 H new ATOM 0 HD11 LEU A 78 -7.529 -3.497 -4.450 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -9.115 -3.232 -3.687 1.00 0.00 H new ATOM 0 HD13 LEU A 78 -8.963 -3.197 -5.460 1.00 0.00 H new ATOM 0 HD21 LEU A 78 -6.317 -1.619 -5.496 1.00 0.00 H new ATOM 0 HD22 LEU A 78 -7.704 -1.245 -6.547 1.00 0.00 H new ATOM 0 HD23 LEU A 78 -7.018 0.017 -5.496 1.00 0.00 H new ATOM 1189 N GLN A 79 -11.494 1.297 -3.252 1.00 0.00 N ATOM 1190 CA GLN A 79 -12.837 1.849 -3.116 1.00 0.00 C ATOM 1191 C GLN A 79 -12.827 3.360 -3.317 1.00 0.00 C ATOM 1192 O GLN A 79 -13.750 3.924 -3.904 1.00 0.00 O ATOM 1193 CB GLN A 79 -13.415 1.509 -1.741 1.00 0.00 C ATOM 1194 CG GLN A 79 -13.840 0.056 -1.602 1.00 0.00 C ATOM 1195 CD GLN A 79 -15.284 -0.170 -2.005 1.00 0.00 C ATOM 1196 OE1 GLN A 79 -15.781 0.446 -2.949 1.00 0.00 O ATOM 1197 NE2 GLN A 79 -15.966 -1.058 -1.291 1.00 0.00 N ATOM 0 H GLN A 79 -11.168 0.775 -2.439 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.466 1.402 -3.886 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -12.671 1.736 -0.977 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -14.275 2.150 -1.549 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -13.193 -0.569 -2.218 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -13.701 -0.262 -0.569 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -15.514 -1.545 -0.517 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -16.942 -1.253 -1.516 1.00 0.00 H new ATOM 1206 N ALA A 80 -11.777 4.011 -2.826 1.00 0.00 N ATOM 1207 CA ALA A 80 -11.646 5.457 -2.954 1.00 0.00 C ATOM 1208 C ALA A 80 -11.396 5.860 -4.403 1.00 0.00 C ATOM 1209 O ALA A 80 -12.066 6.744 -4.935 1.00 0.00 O ATOM 1210 CB ALA A 80 -10.524 5.966 -2.061 1.00 0.00 C ATOM 0 H ALA A 80 -11.005 3.559 -2.336 1.00 0.00 H new ATOM 0 HA ALA A 80 -12.584 5.912 -2.635 1.00 0.00 H new ATOM 0 HB1 ALA A 80 -10.437 7.047 -2.166 1.00 0.00 H new ATOM 0 HB2 ALA A 80 -10.745 5.719 -1.023 1.00 0.00 H new ATOM 0 HB3 ALA A 80 -9.585 5.496 -2.353 1.00 0.00 H new ATOM 1216 N MET A 81 -10.426 5.206 -5.035 1.00 0.00 N ATOM 1217 CA MET A 81 -10.088 5.497 -6.423 1.00 0.00 C ATOM 1218 C MET A 81 -11.279 5.233 -7.340 1.00 0.00 C ATOM 1219 O MET A 81 -11.418 5.859 -8.389 1.00 0.00 O ATOM 1220 CB MET A 81 -8.891 4.654 -6.867 1.00 0.00 C ATOM 1221 CG MET A 81 -7.611 4.973 -6.112 1.00 0.00 C ATOM 1222 SD MET A 81 -6.130 4.657 -7.091 1.00 0.00 S ATOM 1223 CE MET A 81 -5.731 2.990 -6.572 1.00 0.00 C ATOM 0 H MET A 81 -9.861 4.472 -4.608 1.00 0.00 H new ATOM 0 HA MET A 81 -9.825 6.553 -6.493 1.00 0.00 H new ATOM 0 HB2 MET A 81 -9.130 3.599 -6.732 1.00 0.00 H new ATOM 0 HB3 MET A 81 -8.723 4.809 -7.933 1.00 0.00 H new ATOM 0 HG2 MET A 81 -7.624 6.020 -5.808 1.00 0.00 H new ATOM 0 HG3 MET A 81 -7.573 4.377 -5.200 1.00 0.00 H new ATOM 0 HE1 MET A 81 -4.672 2.931 -6.321 1.00 0.00 H new ATOM 0 HE2 MET A 81 -6.327 2.729 -5.697 1.00 0.00 H new ATOM 0 HE3 MET A 81 -5.951 2.294 -7.382 1.00 0.00 H new ATOM 1233 N GLY A 82 -12.135 4.299 -6.935 1.00 0.00 N ATOM 1234 CA GLY A 82 -13.302 3.968 -7.732 1.00 0.00 C ATOM 1235 C GLY A 82 -13.181 2.613 -8.402 1.00 0.00 C ATOM 1236 O GLY A 82 -13.686 2.412 -9.507 1.00 0.00 O ATOM 0 H GLY A 82 -12.041 3.766 -6.070 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -14.187 3.978 -7.096 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -13.448 4.735 -8.493 1.00 0.00 H new ATOM 1240 N TYR A 83 -12.509 1.683 -7.734 1.00 0.00 N ATOM 1241 CA TYR A 83 -12.319 0.342 -8.274 1.00 0.00 C ATOM 1242 C TYR A 83 -13.237 -0.660 -7.580 1.00 0.00 C ATOM 1243 O TYR A 83 -13.652 -0.472 -6.436 1.00 0.00 O ATOM 1244 CB TYR A 83 -10.861 -0.093 -8.117 1.00 0.00 C ATOM 1245 CG TYR A 83 -9.951 0.439 -9.201 1.00 0.00 C ATOM 1246 CD1 TYR A 83 -9.812 -0.232 -10.410 1.00 0.00 C ATOM 1247 CD2 TYR A 83 -9.229 1.612 -9.017 1.00 0.00 C ATOM 1248 CE1 TYR A 83 -8.981 0.249 -11.403 1.00 0.00 C ATOM 1249 CE2 TYR A 83 -8.397 2.102 -10.005 1.00 0.00 C ATOM 1250 CZ TYR A 83 -8.276 1.417 -11.196 1.00 0.00 C ATOM 1251 OH TYR A 83 -7.447 1.901 -12.182 1.00 0.00 O ATOM 0 H TYR A 83 -12.087 1.833 -6.818 1.00 0.00 H new ATOM 0 HA TYR A 83 -12.572 0.366 -9.334 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -10.493 0.243 -7.148 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -10.813 -1.182 -8.116 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -10.363 -1.146 -10.576 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -9.320 2.150 -8.085 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -8.884 -0.286 -12.336 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -7.844 3.016 -9.846 1.00 0.00 H new ATOM 0 HH TYR A 83 -7.026 2.732 -11.877 1.00 0.00 H new ATOM 1261 N PRO A 84 -13.563 -1.752 -8.287 1.00 0.00 N ATOM 1262 CA PRO A 84 -14.434 -2.806 -7.760 1.00 0.00 C ATOM 1263 C PRO A 84 -13.767 -3.607 -6.647 1.00 0.00 C ATOM 1264 O PRO A 84 -12.703 -4.196 -6.843 1.00 0.00 O ATOM 1265 CB PRO A 84 -14.691 -3.696 -8.979 1.00 0.00 C ATOM 1266 CG PRO A 84 -13.515 -3.473 -9.866 1.00 0.00 C ATOM 1267 CD PRO A 84 -13.105 -2.041 -9.657 1.00 0.00 C ATOM 0 HA PRO A 84 -15.341 -2.399 -7.313 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -14.778 -4.744 -8.693 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -15.621 -3.424 -9.479 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -12.701 -4.153 -9.614 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -13.772 -3.657 -10.909 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -12.027 -1.913 -9.756 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -13.573 -1.379 -10.385 1.00 0.00 H new ATOM 1275 N THR A 85 -14.398 -3.624 -5.477 1.00 0.00 N ATOM 1276 CA THR A 85 -13.865 -4.352 -4.332 1.00 0.00 C ATOM 1277 C THR A 85 -14.935 -5.227 -3.690 1.00 0.00 C ATOM 1278 O THR A 85 -15.640 -4.794 -2.779 1.00 0.00 O ATOM 1279 CB THR A 85 -13.298 -3.391 -3.270 1.00 0.00 C ATOM 1280 OG1 THR A 85 -14.286 -2.418 -2.912 1.00 0.00 O ATOM 1281 CG2 THR A 85 -12.051 -2.688 -3.786 1.00 0.00 C ATOM 0 H THR A 85 -15.279 -3.142 -5.297 1.00 0.00 H new ATOM 0 HA THR A 85 -13.060 -4.984 -4.706 1.00 0.00 H new ATOM 0 HB THR A 85 -13.029 -3.976 -2.390 1.00 0.00 H new ATOM 0 HG1 THR A 85 -15.161 -2.852 -2.839 1.00 0.00 H new ATOM 0 HG21 THR A 85 -11.669 -2.015 -3.019 1.00 0.00 H new ATOM 0 HG22 THR A 85 -11.290 -3.429 -4.030 1.00 0.00 H new ATOM 0 HG23 THR A 85 -12.300 -2.116 -4.680 1.00 0.00 H new ATOM 1289 N GLY A 86 -15.050 -6.461 -4.170 1.00 0.00 N ATOM 1290 CA GLY A 86 -16.037 -7.378 -3.630 1.00 0.00 C ATOM 1291 C GLY A 86 -15.718 -7.803 -2.211 1.00 0.00 C ATOM 1292 O GLY A 86 -15.276 -8.929 -1.977 1.00 0.00 O ATOM 0 H GLY A 86 -14.477 -6.842 -4.923 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -17.019 -6.905 -3.652 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -16.094 -8.261 -4.266 1.00 0.00 H new ATOM 1296 N PHE A 87 -15.941 -6.902 -1.260 1.00 0.00 N ATOM 1297 CA PHE A 87 -15.671 -7.189 0.144 1.00 0.00 C ATOM 1298 C PHE A 87 -16.853 -6.781 1.019 1.00 0.00 C ATOM 1299 O PHE A 87 -16.674 -6.217 2.099 1.00 0.00 O ATOM 1300 CB PHE A 87 -14.407 -6.459 0.602 1.00 0.00 C ATOM 1301 CG PHE A 87 -13.139 -7.067 0.074 1.00 0.00 C ATOM 1302 CD1 PHE A 87 -12.728 -6.824 -1.227 1.00 0.00 C ATOM 1303 CD2 PHE A 87 -12.358 -7.881 0.879 1.00 0.00 C ATOM 1304 CE1 PHE A 87 -11.562 -7.383 -1.715 1.00 0.00 C ATOM 1305 CE2 PHE A 87 -11.191 -8.442 0.396 1.00 0.00 C ATOM 1306 CZ PHE A 87 -10.792 -8.192 -0.903 1.00 0.00 C ATOM 0 H PHE A 87 -16.308 -5.967 -1.436 1.00 0.00 H new ATOM 0 HA PHE A 87 -15.519 -8.263 0.247 1.00 0.00 H new ATOM 0 HB2 PHE A 87 -14.462 -5.418 0.282 1.00 0.00 H new ATOM 0 HB3 PHE A 87 -14.373 -6.456 1.691 1.00 0.00 H new ATOM 0 HD1 PHE A 87 -13.325 -6.191 -1.866 1.00 0.00 H new ATOM 0 HD2 PHE A 87 -12.665 -8.079 1.895 1.00 0.00 H new ATOM 0 HE1 PHE A 87 -11.253 -7.187 -2.731 1.00 0.00 H new ATOM 0 HE2 PHE A 87 -10.591 -9.075 1.033 1.00 0.00 H new ATOM 0 HZ PHE A 87 -9.880 -8.628 -1.282 1.00 0.00 H new ATOM 1316 N ASP A 88 -18.060 -7.070 0.545 1.00 0.00 N ATOM 1317 CA ASP A 88 -19.272 -6.734 1.283 1.00 0.00 C ATOM 1318 C ASP A 88 -20.246 -7.908 1.291 1.00 0.00 C ATOM 1319 O ASP A 88 -20.078 -8.872 0.544 1.00 0.00 O ATOM 1320 CB ASP A 88 -19.942 -5.503 0.671 1.00 0.00 C ATOM 1321 CG ASP A 88 -19.096 -4.253 0.812 1.00 0.00 C ATOM 1322 OD1 ASP A 88 -19.130 -3.632 1.894 1.00 0.00 O ATOM 1323 OD2 ASP A 88 -18.400 -3.895 -0.162 1.00 0.00 O ATOM 0 H ASP A 88 -18.225 -7.536 -0.347 1.00 0.00 H new ATOM 0 HA ASP A 88 -18.992 -6.511 2.312 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -20.139 -5.688 -0.385 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -20.907 -5.341 1.152 1.00 0.00 H new ATOM 1328 N ALA A 89 -21.264 -7.819 2.140 1.00 0.00 N ATOM 1329 CA ALA A 89 -22.266 -8.873 2.244 1.00 0.00 C ATOM 1330 C ALA A 89 -23.454 -8.594 1.330 1.00 0.00 C ATOM 1331 O ALA A 89 -24.604 -8.832 1.700 1.00 0.00 O ATOM 1332 CB ALA A 89 -22.730 -9.020 3.686 1.00 0.00 C ATOM 0 H ALA A 89 -21.417 -7.028 2.766 1.00 0.00 H new ATOM 0 HA ALA A 89 -21.807 -9.809 1.924 1.00 0.00 H new ATOM 0 HB1 ALA A 89 -23.478 -9.810 3.749 1.00 0.00 H new ATOM 0 HB2 ALA A 89 -21.879 -9.275 4.318 1.00 0.00 H new ATOM 0 HB3 ALA A 89 -23.166 -8.080 4.026 1.00 0.00 H new ATOM 1338 N ASP A 90 -23.169 -8.088 0.135 1.00 0.00 N ATOM 1339 CA ASP A 90 -24.215 -7.777 -0.833 1.00 0.00 C ATOM 1340 C ASP A 90 -24.114 -8.687 -2.053 1.00 0.00 C ATOM 1341 O ASP A 90 -24.195 -8.225 -3.192 1.00 0.00 O ATOM 1342 CB ASP A 90 -24.120 -6.312 -1.264 1.00 0.00 C ATOM 1343 CG ASP A 90 -25.412 -5.804 -1.873 1.00 0.00 C ATOM 1344 OD1 ASP A 90 -26.208 -6.636 -2.355 1.00 0.00 O ATOM 1345 OD2 ASP A 90 -25.626 -4.573 -1.869 1.00 0.00 O ATOM 0 H ASP A 90 -22.223 -7.884 -0.187 1.00 0.00 H new ATOM 0 HA ASP A 90 -25.180 -7.946 -0.356 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -23.862 -5.698 -0.401 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -23.312 -6.200 -1.987 1.00 0.00 H new ATOM 1350 N ILE A 91 -23.937 -9.980 -1.807 1.00 0.00 N ATOM 1351 CA ILE A 91 -23.825 -10.954 -2.886 1.00 0.00 C ATOM 1352 C ILE A 91 -24.955 -10.787 -3.896 1.00 0.00 C ATOM 1353 O ILE A 91 -25.853 -9.966 -3.709 1.00 0.00 O ATOM 1354 CB ILE A 91 -23.843 -12.397 -2.346 1.00 0.00 C ATOM 1355 CG1 ILE A 91 -25.147 -12.666 -1.592 1.00 0.00 C ATOM 1356 CG2 ILE A 91 -22.644 -12.639 -1.442 1.00 0.00 C ATOM 1357 CD1 ILE A 91 -26.331 -12.910 -2.502 1.00 0.00 C ATOM 0 H ILE A 91 -23.868 -10.378 -0.870 1.00 0.00 H new ATOM 0 HA ILE A 91 -22.870 -10.771 -3.379 1.00 0.00 H new ATOM 0 HB ILE A 91 -23.783 -13.085 -3.189 1.00 0.00 H new ATOM 0 HG12 ILE A 91 -25.011 -13.533 -0.945 1.00 0.00 H new ATOM 0 HG13 ILE A 91 -25.365 -11.816 -0.945 1.00 0.00 H new ATOM 0 HG21 ILE A 91 -22.671 -13.663 -1.068 1.00 0.00 H new ATOM 0 HG22 ILE A 91 -21.725 -12.483 -2.007 1.00 0.00 H new ATOM 0 HG23 ILE A 91 -22.676 -11.945 -0.602 1.00 0.00 H new ATOM 0 HD11 ILE A 91 -27.221 -13.094 -1.900 1.00 0.00 H new ATOM 0 HD12 ILE A 91 -26.493 -12.035 -3.131 1.00 0.00 H new ATOM 0 HD13 ILE A 91 -26.133 -13.778 -3.131 1.00 0.00 H new ATOM 1369 N SER A 92 -24.905 -11.573 -4.967 1.00 0.00 N ATOM 1370 CA SER A 92 -25.923 -11.511 -6.009 1.00 0.00 C ATOM 1371 C SER A 92 -27.316 -11.711 -5.420 1.00 0.00 C ATOM 1372 O SER A 92 -27.679 -12.815 -5.015 1.00 0.00 O ATOM 1373 CB SER A 92 -25.653 -12.570 -7.079 1.00 0.00 C ATOM 1374 OG SER A 92 -24.693 -12.114 -8.017 1.00 0.00 O ATOM 0 H SER A 92 -24.170 -12.260 -5.136 1.00 0.00 H new ATOM 0 HA SER A 92 -25.879 -10.523 -6.467 1.00 0.00 H new ATOM 0 HB2 SER A 92 -25.298 -13.486 -6.607 1.00 0.00 H new ATOM 0 HB3 SER A 92 -26.581 -12.816 -7.594 1.00 0.00 H new ATOM 0 HG SER A 92 -24.537 -12.810 -8.689 1.00 0.00 H new ATOM 1380 N GLY A 93 -28.093 -10.633 -5.374 1.00 0.00 N ATOM 1381 CA GLY A 93 -29.437 -10.710 -4.833 1.00 0.00 C ATOM 1382 C GLY A 93 -30.468 -10.077 -5.747 1.00 0.00 C ATOM 1383 O GLY A 93 -30.257 -9.935 -6.952 1.00 0.00 O ATOM 0 H GLY A 93 -27.815 -9.708 -5.702 1.00 0.00 H new ATOM 0 HA2 GLY A 93 -29.698 -11.755 -4.665 1.00 0.00 H new ATOM 0 HA3 GLY A 93 -29.463 -10.214 -3.863 1.00 0.00 H new ATOM 1387 N PRO A 94 -31.614 -9.685 -5.171 1.00 0.00 N ATOM 1388 CA PRO A 94 -32.704 -9.058 -5.924 1.00 0.00 C ATOM 1389 C PRO A 94 -32.348 -7.653 -6.399 1.00 0.00 C ATOM 1390 O PRO A 94 -31.213 -7.204 -6.242 1.00 0.00 O ATOM 1391 CB PRO A 94 -33.851 -9.005 -4.911 1.00 0.00 C ATOM 1392 CG PRO A 94 -33.180 -8.998 -3.581 1.00 0.00 C ATOM 1393 CD PRO A 94 -31.934 -9.823 -3.740 1.00 0.00 C ATOM 0 HA PRO A 94 -32.943 -9.613 -6.831 1.00 0.00 H new ATOM 0 HB2 PRO A 94 -34.462 -8.113 -5.051 1.00 0.00 H new ATOM 0 HB3 PRO A 94 -34.513 -9.865 -5.016 1.00 0.00 H new ATOM 0 HG2 PRO A 94 -32.938 -7.981 -3.272 1.00 0.00 H new ATOM 0 HG3 PRO A 94 -33.831 -9.418 -2.814 1.00 0.00 H new ATOM 0 HD2 PRO A 94 -31.125 -9.454 -3.110 1.00 0.00 H new ATOM 0 HD3 PRO A 94 -32.103 -10.864 -3.465 1.00 0.00 H new ATOM 1401 N SER A 95 -33.325 -6.965 -6.980 1.00 0.00 N ATOM 1402 CA SER A 95 -33.113 -5.611 -7.481 1.00 0.00 C ATOM 1403 C SER A 95 -32.132 -4.851 -6.593 1.00 0.00 C ATOM 1404 O SER A 95 -32.350 -4.706 -5.391 1.00 0.00 O ATOM 1405 CB SER A 95 -34.442 -4.858 -7.553 1.00 0.00 C ATOM 1406 OG SER A 95 -35.144 -5.175 -8.743 1.00 0.00 O ATOM 0 H SER A 95 -34.271 -7.322 -7.116 1.00 0.00 H new ATOM 0 HA SER A 95 -32.689 -5.682 -8.483 1.00 0.00 H new ATOM 0 HB2 SER A 95 -35.054 -5.111 -6.687 1.00 0.00 H new ATOM 0 HB3 SER A 95 -34.258 -3.784 -7.510 1.00 0.00 H new ATOM 0 HG SER A 95 -35.991 -4.682 -8.764 1.00 0.00 H new ATOM 1412 N SER A 96 -31.051 -4.368 -7.197 1.00 0.00 N ATOM 1413 CA SER A 96 -30.033 -3.626 -6.462 1.00 0.00 C ATOM 1414 C SER A 96 -29.695 -4.323 -5.148 1.00 0.00 C ATOM 1415 O SER A 96 -29.577 -3.682 -4.104 1.00 0.00 O ATOM 1416 CB SER A 96 -30.512 -2.199 -6.187 1.00 0.00 C ATOM 1417 OG SER A 96 -29.416 -1.309 -6.058 1.00 0.00 O ATOM 0 H SER A 96 -30.857 -4.477 -8.193 1.00 0.00 H new ATOM 0 HA SER A 96 -29.132 -3.588 -7.075 1.00 0.00 H new ATOM 0 HB2 SER A 96 -31.161 -1.867 -6.998 1.00 0.00 H new ATOM 0 HB3 SER A 96 -31.108 -2.182 -5.275 1.00 0.00 H new ATOM 0 HG SER A 96 -29.748 -0.404 -5.884 1.00 0.00 H new ATOM 1423 N GLY A 97 -29.540 -5.642 -5.207 1.00 0.00 N ATOM 1424 CA GLY A 97 -29.217 -6.406 -4.017 1.00 0.00 C ATOM 1425 C GLY A 97 -30.404 -6.558 -3.086 1.00 0.00 C ATOM 1426 O GLY A 97 -30.376 -6.082 -1.951 1.00 0.00 O ATOM 0 H GLY A 97 -29.633 -6.195 -6.059 1.00 0.00 H new ATOM 0 HA2 GLY A 97 -28.859 -7.393 -4.309 1.00 0.00 H new ATOM 0 HA3 GLY A 97 -28.402 -5.916 -3.485 1.00 0.00 H new TER 1430 GLY A 97