USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=38 USER MOD reduce.3.24.130724 removed 899 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 25 TYR OH : rot 19:sc= 0.778 USER MOD Set 1.2: A 48 HIS : no HE2:sc= -5.25! C(o=-4.5!,f=-14!) USER MOD Set 2.1: A 44 CYS SG : rot 66:sc= 0.478 USER MOD Set 2.2: A 68 ASN : amide:sc= -4.19! C(o=-3.7!,f=-7.2!) USER MOD Set 3.1: A 34 THR OG1 : rot 180:sc= 0.0259 USER MOD Set 3.2: A 35 MET CE :methyl 162:sc= -0.0264 (180deg=-0.275) USER MOD Set 4.1: A 21 GLN : amide:sc= 0.34 K(o=0.98,f=-0.18) USER MOD Set 4.2: A 50 TYR OH : rot -52:sc= 0.645 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 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 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 13 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 CYS SG : rot -146:sc= 0.954 USER MOD Single : A 19 GLN : amide:sc= -0.367 X(o=-0.37,f=-0.041) USER MOD Single : A 22 THR OG1 : rot -47:sc= 1.01 USER MOD Single : A 29 ASN : amide:sc= -1.08! C(o=-1.1!,f=-1.2!) USER MOD Single : A 31 THR OG1 : rot 180:sc= 0 USER MOD Single : A 36 SER OG : rot -120:sc= 0.203 USER MOD Single : A 38 LYS NZ :NH3+ -138:sc= -0.122 (180deg=-1.33!) USER MOD Single : A 39 SER OG : rot 180:sc= -0.067 USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 63 GLN : amide:sc= -0.086 X(o=-0.086,f=0) USER MOD Single : A 64 ASN :FLIP amide:sc= -1.04 F(o=-1.7!,f=-1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 ASN : amide:sc= 1.37 K(o=1.4,f=-0.11) USER MOD Single : A 70 GLN :FLIP amide:sc= -0.059 F(o=-0.58,f=-0.059) USER MOD Single : A 78 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 SER OG : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl 176:sc= -0.209 (180deg=-0.28) USER MOD Single : A 87 THR OG1 : rot -77:sc= -0.437 USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 MET CE :methyl -154:sc= 0 (180deg=-0.279) USER MOD Single : A 93 SER OG : rot 180:sc= 0 USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 101 SER OG : rot 170:sc= -0.37 USER MOD Single : A 102 MET CE :methyl 174:sc= -2.3 (180deg=-2.38) USER MOD Single : A 104 MET CE :methyl -107:sc= 0 (180deg=-1.34!) USER MOD Single : A 105 TYR OH : rot 77:sc= 0.105 USER MOD Single : A 107 THR OG1 : rot 76:sc= 0.967 USER MOD Single : A 108 GLN :FLIP amide:sc= -2.68! C(o=-3.6!,f=-2.7!) USER MOD Single : A 110 TYR OH : rot 180:sc= 0 USER MOD Single : A 112 MET CE :methyl -148:sc= -1.46 (180deg=-4.57!) USER MOD Single : A 114 LYS NZ :NH3+ 145:sc= 0.4 (180deg=-0.274) USER MOD Single : A 116 SER OG : rot 180:sc= 0 USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -18.069 -16.038 6.784 1.00 0.00 N ATOM 2 CA GLY A 1 -16.966 -16.980 6.732 1.00 0.00 C ATOM 3 C GLY A 1 -16.854 -17.667 5.386 1.00 0.00 C ATOM 4 O GLY A 1 -17.571 -18.629 5.110 1.00 0.00 O ATOM 0 H1 GLY A 1 -18.103 -15.595 7.724 1.00 0.00 H new ATOM 0 H2 GLY A 1 -17.933 -15.304 6.060 1.00 0.00 H new ATOM 0 H3 GLY A 1 -18.962 -16.539 6.605 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.035 -16.457 6.948 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.097 -17.732 7.510 1.00 0.00 H new ATOM 8 N SER A 2 -15.952 -17.172 4.544 1.00 0.00 N ATOM 9 CA SER A 2 -15.752 -17.742 3.216 1.00 0.00 C ATOM 10 C SER A 2 -14.287 -18.104 2.996 1.00 0.00 C ATOM 11 O SER A 2 -13.424 -17.770 3.808 1.00 0.00 O ATOM 12 CB SER A 2 -16.213 -16.756 2.141 1.00 0.00 C ATOM 13 OG SER A 2 -15.253 -15.733 1.942 1.00 0.00 O ATOM 0 H SER A 2 -15.348 -16.378 4.758 1.00 0.00 H new ATOM 0 HA SER A 2 -16.348 -18.652 3.144 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.382 -17.287 1.204 1.00 0.00 H new ATOM 0 HB3 SER A 2 -17.165 -16.314 2.433 1.00 0.00 H new ATOM 0 HG SER A 2 -15.570 -15.117 1.249 1.00 0.00 H new ATOM 19 N SER A 3 -14.013 -18.790 1.890 1.00 0.00 N ATOM 20 CA SER A 3 -12.653 -19.202 1.563 1.00 0.00 C ATOM 21 C SER A 3 -12.400 -19.097 0.063 1.00 0.00 C ATOM 22 O SER A 3 -13.270 -19.411 -0.749 1.00 0.00 O ATOM 23 CB SER A 3 -12.405 -20.636 2.035 1.00 0.00 C ATOM 24 OG SER A 3 -12.454 -20.723 3.449 1.00 0.00 O ATOM 0 H SER A 3 -14.715 -19.072 1.206 1.00 0.00 H new ATOM 0 HA SER A 3 -11.963 -18.533 2.078 1.00 0.00 H new ATOM 0 HB2 SER A 3 -13.153 -21.300 1.601 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.432 -20.976 1.680 1.00 0.00 H new ATOM 0 HG SER A 3 -12.294 -21.650 3.725 1.00 0.00 H new ATOM 30 N GLY A 4 -11.200 -18.652 -0.299 1.00 0.00 N ATOM 31 CA GLY A 4 -10.853 -18.513 -1.701 1.00 0.00 C ATOM 32 C GLY A 4 -9.532 -19.175 -2.040 1.00 0.00 C ATOM 33 O GLY A 4 -8.605 -19.176 -1.229 1.00 0.00 O ATOM 0 H GLY A 4 -10.463 -18.386 0.354 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -11.642 -18.950 -2.312 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -10.801 -17.455 -1.956 1.00 0.00 H new ATOM 37 N SER A 5 -9.445 -19.740 -3.239 1.00 0.00 N ATOM 38 CA SER A 5 -8.229 -20.414 -3.681 1.00 0.00 C ATOM 39 C SER A 5 -7.006 -19.531 -3.452 1.00 0.00 C ATOM 40 O SER A 5 -6.938 -18.405 -3.943 1.00 0.00 O ATOM 41 CB SER A 5 -8.335 -20.784 -5.161 1.00 0.00 C ATOM 42 OG SER A 5 -9.496 -21.556 -5.412 1.00 0.00 O ATOM 0 H SER A 5 -10.202 -19.745 -3.923 1.00 0.00 H new ATOM 0 HA SER A 5 -8.114 -21.325 -3.094 1.00 0.00 H new ATOM 0 HB2 SER A 5 -8.360 -19.877 -5.765 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.450 -21.344 -5.463 1.00 0.00 H new ATOM 0 HG SER A 5 -9.541 -21.778 -6.365 1.00 0.00 H new ATOM 48 N SER A 6 -6.040 -20.053 -2.702 1.00 0.00 N ATOM 49 CA SER A 6 -4.820 -19.312 -2.404 1.00 0.00 C ATOM 50 C SER A 6 -4.204 -18.744 -3.679 1.00 0.00 C ATOM 51 O SER A 6 -4.702 -18.976 -4.779 1.00 0.00 O ATOM 52 CB SER A 6 -3.810 -20.216 -1.695 1.00 0.00 C ATOM 53 OG SER A 6 -4.391 -20.841 -0.563 1.00 0.00 O ATOM 0 H SER A 6 -6.079 -20.985 -2.290 1.00 0.00 H new ATOM 0 HA SER A 6 -5.079 -18.483 -1.746 1.00 0.00 H new ATOM 0 HB2 SER A 6 -3.448 -20.976 -2.388 1.00 0.00 H new ATOM 0 HB3 SER A 6 -2.945 -19.628 -1.386 1.00 0.00 H new ATOM 0 HG SER A 6 -3.726 -21.415 -0.129 1.00 0.00 H new ATOM 59 N GLY A 7 -3.115 -17.997 -3.521 1.00 0.00 N ATOM 60 CA GLY A 7 -2.448 -17.407 -4.666 1.00 0.00 C ATOM 61 C GLY A 7 -1.092 -16.828 -4.313 1.00 0.00 C ATOM 62 O GLY A 7 -0.984 -15.657 -3.950 1.00 0.00 O ATOM 0 H GLY A 7 -2.683 -17.790 -2.620 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -2.326 -18.164 -5.441 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -3.077 -16.621 -5.084 1.00 0.00 H new ATOM 66 N VAL A 8 -0.053 -17.651 -4.418 1.00 0.00 N ATOM 67 CA VAL A 8 1.302 -17.214 -4.106 1.00 0.00 C ATOM 68 C VAL A 8 1.777 -16.149 -5.089 1.00 0.00 C ATOM 69 O VAL A 8 1.353 -16.123 -6.244 1.00 0.00 O ATOM 70 CB VAL A 8 2.292 -18.395 -4.129 1.00 0.00 C ATOM 71 CG1 VAL A 8 1.911 -19.431 -3.082 1.00 0.00 C ATOM 72 CG2 VAL A 8 2.343 -19.020 -5.515 1.00 0.00 C ATOM 0 H VAL A 8 -0.124 -18.624 -4.717 1.00 0.00 H new ATOM 0 HA VAL A 8 1.274 -16.791 -3.102 1.00 0.00 H new ATOM 0 HB VAL A 8 3.286 -18.018 -3.888 1.00 0.00 H new ATOM 0 HG11 VAL A 8 2.621 -20.258 -3.113 1.00 0.00 H new ATOM 0 HG12 VAL A 8 1.930 -18.973 -2.093 1.00 0.00 H new ATOM 0 HG13 VAL A 8 0.909 -19.806 -3.289 1.00 0.00 H new ATOM 0 HG21 VAL A 8 3.047 -19.852 -5.513 1.00 0.00 H new ATOM 0 HG22 VAL A 8 1.352 -19.383 -5.787 1.00 0.00 H new ATOM 0 HG23 VAL A 8 2.667 -18.273 -6.239 1.00 0.00 H new ATOM 82 N ALA A 9 2.659 -15.272 -4.622 1.00 0.00 N ATOM 83 CA ALA A 9 3.193 -14.206 -5.460 1.00 0.00 C ATOM 84 C ALA A 9 4.716 -14.165 -5.393 1.00 0.00 C ATOM 85 O ALA A 9 5.299 -14.178 -4.308 1.00 0.00 O ATOM 86 CB ALA A 9 2.608 -12.864 -5.044 1.00 0.00 C ATOM 0 H ALA A 9 3.019 -15.279 -3.668 1.00 0.00 H new ATOM 0 HA ALA A 9 2.906 -14.411 -6.492 1.00 0.00 H new ATOM 0 HB1 ALA A 9 3.016 -12.077 -5.678 1.00 0.00 H new ATOM 0 HB2 ALA A 9 1.524 -12.891 -5.151 1.00 0.00 H new ATOM 0 HB3 ALA A 9 2.865 -12.662 -4.004 1.00 0.00 H new ATOM 92 N ARG A 10 5.354 -14.117 -6.557 1.00 0.00 N ATOM 93 CA ARG A 10 6.810 -14.076 -6.630 1.00 0.00 C ATOM 94 C ARG A 10 7.339 -12.720 -6.174 1.00 0.00 C ATOM 95 O ARG A 10 6.568 -11.795 -5.918 1.00 0.00 O ATOM 96 CB ARG A 10 7.279 -14.365 -8.057 1.00 0.00 C ATOM 97 CG ARG A 10 6.891 -13.288 -9.056 1.00 0.00 C ATOM 98 CD ARG A 10 7.498 -13.552 -10.425 1.00 0.00 C ATOM 99 NE ARG A 10 6.666 -14.443 -11.229 1.00 0.00 N ATOM 100 CZ ARG A 10 7.137 -15.192 -12.220 1.00 0.00 C ATOM 101 NH1 ARG A 10 8.426 -15.157 -12.527 1.00 0.00 N ATOM 102 NH2 ARG A 10 6.317 -15.978 -12.906 1.00 0.00 N ATOM 0 H ARG A 10 4.886 -14.106 -7.463 1.00 0.00 H new ATOM 0 HA ARG A 10 7.204 -14.843 -5.963 1.00 0.00 H new ATOM 0 HB2 ARG A 10 8.363 -14.476 -8.058 1.00 0.00 H new ATOM 0 HB3 ARG A 10 6.861 -15.318 -8.382 1.00 0.00 H new ATOM 0 HG2 ARG A 10 5.805 -13.243 -9.141 1.00 0.00 H new ATOM 0 HG3 ARG A 10 7.222 -12.316 -8.691 1.00 0.00 H new ATOM 0 HD2 ARG A 10 7.631 -12.607 -10.951 1.00 0.00 H new ATOM 0 HD3 ARG A 10 8.488 -13.991 -10.304 1.00 0.00 H new ATOM 0 HE ARG A 10 5.669 -14.493 -11.018 1.00 0.00 H new ATOM 0 HH11 ARG A 10 9.059 -14.554 -12.002 1.00 0.00 H new ATOM 0 HH12 ARG A 10 8.785 -15.733 -13.288 1.00 0.00 H new ATOM 0 HH21 ARG A 10 5.325 -16.007 -12.673 1.00 0.00 H new ATOM 0 HH22 ARG A 10 6.679 -16.553 -13.667 1.00 0.00 H new ATOM 116 N SER A 11 8.660 -12.609 -6.074 1.00 0.00 N ATOM 117 CA SER A 11 9.293 -11.368 -5.644 1.00 0.00 C ATOM 118 C SER A 11 9.254 -10.325 -6.757 1.00 0.00 C ATOM 119 O SER A 11 10.158 -10.256 -7.590 1.00 0.00 O ATOM 120 CB SER A 11 10.741 -11.627 -5.223 1.00 0.00 C ATOM 121 OG SER A 11 10.819 -11.970 -3.850 1.00 0.00 O ATOM 0 H SER A 11 9.313 -13.364 -6.285 1.00 0.00 H new ATOM 0 HA SER A 11 8.737 -10.983 -4.789 1.00 0.00 H new ATOM 0 HB2 SER A 11 11.160 -12.432 -5.827 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.343 -10.739 -5.414 1.00 0.00 H new ATOM 0 HG SER A 11 11.754 -12.132 -3.606 1.00 0.00 H new ATOM 127 N SER A 12 8.200 -9.515 -6.765 1.00 0.00 N ATOM 128 CA SER A 12 8.040 -8.478 -7.777 1.00 0.00 C ATOM 129 C SER A 12 8.832 -7.228 -7.405 1.00 0.00 C ATOM 130 O SER A 12 8.973 -6.896 -6.227 1.00 0.00 O ATOM 131 CB SER A 12 6.561 -8.127 -7.948 1.00 0.00 C ATOM 132 OG SER A 12 6.344 -7.402 -9.147 1.00 0.00 O ATOM 0 H SER A 12 7.444 -9.557 -6.082 1.00 0.00 H new ATOM 0 HA SER A 12 8.426 -8.863 -8.721 1.00 0.00 H new ATOM 0 HB2 SER A 12 5.966 -9.040 -7.959 1.00 0.00 H new ATOM 0 HB3 SER A 12 6.223 -7.537 -7.096 1.00 0.00 H new ATOM 0 HG SER A 12 5.391 -7.191 -9.234 1.00 0.00 H new ATOM 138 N LYS A 13 9.347 -6.539 -8.416 1.00 0.00 N ATOM 139 CA LYS A 13 10.124 -5.324 -8.198 1.00 0.00 C ATOM 140 C LYS A 13 9.442 -4.417 -7.179 1.00 0.00 C ATOM 141 O LYS A 13 10.066 -3.965 -6.219 1.00 0.00 O ATOM 142 CB LYS A 13 10.317 -4.573 -9.518 1.00 0.00 C ATOM 143 CG LYS A 13 11.053 -5.379 -10.574 1.00 0.00 C ATOM 144 CD LYS A 13 12.545 -5.439 -10.291 1.00 0.00 C ATOM 145 CE LYS A 13 13.347 -5.643 -11.567 1.00 0.00 C ATOM 146 NZ LYS A 13 14.739 -6.088 -11.282 1.00 0.00 N ATOM 0 H LYS A 13 9.241 -6.801 -9.396 1.00 0.00 H new ATOM 0 HA LYS A 13 11.099 -5.612 -7.806 1.00 0.00 H new ATOM 0 HB2 LYS A 13 9.341 -4.284 -9.908 1.00 0.00 H new ATOM 0 HB3 LYS A 13 10.868 -3.653 -9.326 1.00 0.00 H new ATOM 0 HG2 LYS A 13 10.648 -6.390 -10.609 1.00 0.00 H new ATOM 0 HG3 LYS A 13 10.885 -4.934 -11.555 1.00 0.00 H new ATOM 0 HD2 LYS A 13 12.861 -4.516 -9.805 1.00 0.00 H new ATOM 0 HD3 LYS A 13 12.752 -6.253 -9.596 1.00 0.00 H new ATOM 0 HE2 LYS A 13 12.850 -6.384 -12.194 1.00 0.00 H new ATOM 0 HE3 LYS A 13 13.372 -4.712 -12.133 1.00 0.00 H new ATOM 0 HZ1 LYS A 13 15.253 -6.216 -12.177 1.00 0.00 H new ATOM 0 HZ2 LYS A 13 15.222 -5.370 -10.705 1.00 0.00 H new ATOM 0 HZ3 LYS A 13 14.716 -6.990 -10.764 1.00 0.00 H new ATOM 160 N LEU A 14 8.157 -4.156 -7.394 1.00 0.00 N ATOM 161 CA LEU A 14 7.389 -3.304 -6.493 1.00 0.00 C ATOM 162 C LEU A 14 7.395 -3.865 -5.075 1.00 0.00 C ATOM 163 O LEU A 14 7.673 -3.147 -4.113 1.00 0.00 O ATOM 164 CB LEU A 14 5.949 -3.167 -6.993 1.00 0.00 C ATOM 165 CG LEU A 14 4.980 -2.444 -6.057 1.00 0.00 C ATOM 166 CD1 LEU A 14 5.341 -0.971 -5.948 1.00 0.00 C ATOM 167 CD2 LEU A 14 3.547 -2.609 -6.543 1.00 0.00 C ATOM 0 H LEU A 14 7.625 -4.522 -8.184 1.00 0.00 H new ATOM 0 HA LEU A 14 7.857 -2.320 -6.476 1.00 0.00 H new ATOM 0 HB2 LEU A 14 5.965 -2.638 -7.946 1.00 0.00 H new ATOM 0 HB3 LEU A 14 5.557 -4.165 -7.189 1.00 0.00 H new ATOM 0 HG LEU A 14 5.061 -2.891 -5.066 1.00 0.00 H new ATOM 0 HD11 LEU A 14 4.640 -0.473 -5.278 1.00 0.00 H new ATOM 0 HD12 LEU A 14 6.352 -0.872 -5.554 1.00 0.00 H new ATOM 0 HD13 LEU A 14 5.289 -0.510 -6.934 1.00 0.00 H new ATOM 0 HD21 LEU A 14 2.871 -2.088 -5.865 1.00 0.00 H new ATOM 0 HD22 LEU A 14 3.452 -2.189 -7.544 1.00 0.00 H new ATOM 0 HD23 LEU A 14 3.291 -3.668 -6.568 1.00 0.00 H new ATOM 179 N LEU A 15 7.090 -5.152 -4.952 1.00 0.00 N ATOM 180 CA LEU A 15 7.063 -5.811 -3.651 1.00 0.00 C ATOM 181 C LEU A 15 8.284 -5.429 -2.822 1.00 0.00 C ATOM 182 O LEU A 15 8.157 -4.874 -1.731 1.00 0.00 O ATOM 183 CB LEU A 15 7.007 -7.330 -3.828 1.00 0.00 C ATOM 184 CG LEU A 15 7.176 -8.160 -2.555 1.00 0.00 C ATOM 185 CD1 LEU A 15 5.980 -7.978 -1.635 1.00 0.00 C ATOM 186 CD2 LEU A 15 7.368 -9.630 -2.899 1.00 0.00 C ATOM 0 H LEU A 15 6.858 -5.760 -5.737 1.00 0.00 H new ATOM 0 HA LEU A 15 6.170 -5.480 -3.122 1.00 0.00 H new ATOM 0 HB2 LEU A 15 6.050 -7.588 -4.282 1.00 0.00 H new ATOM 0 HB3 LEU A 15 7.784 -7.622 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 15 8.066 -7.810 -2.032 1.00 0.00 H new ATOM 0 HD11 LEU A 15 6.119 -8.577 -0.735 1.00 0.00 H new ATOM 0 HD12 LEU A 15 5.888 -6.927 -1.361 1.00 0.00 H new ATOM 0 HD13 LEU A 15 5.074 -8.300 -2.148 1.00 0.00 H new ATOM 0 HD21 LEU A 15 7.487 -10.206 -1.981 1.00 0.00 H new ATOM 0 HD22 LEU A 15 6.497 -9.993 -3.445 1.00 0.00 H new ATOM 0 HD23 LEU A 15 8.258 -9.746 -3.518 1.00 0.00 H new ATOM 198 N GLY A 16 9.468 -5.728 -3.348 1.00 0.00 N ATOM 199 CA GLY A 16 10.695 -5.407 -2.643 1.00 0.00 C ATOM 200 C GLY A 16 10.640 -4.050 -1.971 1.00 0.00 C ATOM 201 O GLY A 16 10.899 -3.932 -0.773 1.00 0.00 O ATOM 0 H GLY A 16 9.599 -6.187 -4.250 1.00 0.00 H new ATOM 0 HA2 GLY A 16 10.890 -6.173 -1.892 1.00 0.00 H new ATOM 0 HA3 GLY A 16 11.529 -5.428 -3.344 1.00 0.00 H new ATOM 205 N TRP A 17 10.302 -3.023 -2.742 1.00 0.00 N ATOM 206 CA TRP A 17 10.215 -1.666 -2.213 1.00 0.00 C ATOM 207 C TRP A 17 9.332 -1.622 -0.971 1.00 0.00 C ATOM 208 O TRP A 17 9.762 -1.173 0.092 1.00 0.00 O ATOM 209 CB TRP A 17 9.667 -0.716 -3.279 1.00 0.00 C ATOM 210 CG TRP A 17 9.713 0.725 -2.869 1.00 0.00 C ATOM 211 CD1 TRP A 17 10.814 1.533 -2.834 1.00 0.00 C ATOM 212 CD2 TRP A 17 8.610 1.529 -2.436 1.00 0.00 C ATOM 213 NE1 TRP A 17 10.462 2.790 -2.404 1.00 0.00 N ATOM 214 CE2 TRP A 17 9.115 2.813 -2.154 1.00 0.00 C ATOM 215 CE3 TRP A 17 7.245 1.289 -2.260 1.00 0.00 C ATOM 216 CZ2 TRP A 17 8.302 3.851 -1.706 1.00 0.00 C ATOM 217 CZ3 TRP A 17 6.439 2.319 -1.814 1.00 0.00 C ATOM 218 CH2 TRP A 17 6.969 3.588 -1.542 1.00 0.00 C ATOM 0 H TRP A 17 10.084 -3.103 -3.735 1.00 0.00 H new ATOM 0 HA TRP A 17 11.219 -1.346 -1.933 1.00 0.00 H new ATOM 0 HB2 TRP A 17 10.239 -0.844 -4.198 1.00 0.00 H new ATOM 0 HB3 TRP A 17 8.636 -0.990 -3.504 1.00 0.00 H new ATOM 0 HD1 TRP A 17 11.814 1.229 -3.105 1.00 0.00 H new ATOM 0 HE1 TRP A 17 11.100 3.578 -2.290 1.00 0.00 H new ATOM 0 HE3 TRP A 17 6.827 0.315 -2.469 1.00 0.00 H new ATOM 0 HZ2 TRP A 17 8.709 4.829 -1.495 1.00 0.00 H new ATOM 0 HZ3 TRP A 17 5.383 2.143 -1.673 1.00 0.00 H new ATOM 0 HH2 TRP A 17 6.313 4.373 -1.196 1.00 0.00 H new ATOM 229 N CYS A 18 8.096 -2.089 -1.112 1.00 0.00 N ATOM 230 CA CYS A 18 7.152 -2.101 -0.001 1.00 0.00 C ATOM 231 C CYS A 18 7.722 -2.869 1.188 1.00 0.00 C ATOM 232 O CYS A 18 7.714 -2.379 2.316 1.00 0.00 O ATOM 233 CB CYS A 18 5.826 -2.725 -0.438 1.00 0.00 C ATOM 234 SG CYS A 18 5.028 -1.871 -1.817 1.00 0.00 S ATOM 0 H CYS A 18 7.725 -2.464 -1.985 1.00 0.00 H new ATOM 0 HA CYS A 18 6.976 -1.070 0.306 1.00 0.00 H new ATOM 0 HB2 CYS A 18 6.001 -3.763 -0.720 1.00 0.00 H new ATOM 0 HB3 CYS A 18 5.144 -2.736 0.412 1.00 0.00 H new ATOM 0 HG CYS A 18 3.737 -1.930 -1.675 1.00 0.00 H new ATOM 240 N GLN A 19 8.214 -4.076 0.925 1.00 0.00 N ATOM 241 CA GLN A 19 8.785 -4.912 1.975 1.00 0.00 C ATOM 242 C GLN A 19 9.832 -4.143 2.774 1.00 0.00 C ATOM 243 O GLN A 19 9.904 -4.261 3.997 1.00 0.00 O ATOM 244 CB GLN A 19 9.410 -6.170 1.370 1.00 0.00 C ATOM 245 CG GLN A 19 8.417 -7.042 0.619 1.00 0.00 C ATOM 246 CD GLN A 19 8.814 -8.505 0.611 1.00 0.00 C ATOM 247 OE1 GLN A 19 9.968 -8.846 0.348 1.00 0.00 O ATOM 248 NE2 GLN A 19 7.858 -9.380 0.900 1.00 0.00 N ATOM 0 H GLN A 19 8.229 -4.496 -0.004 1.00 0.00 H new ATOM 0 HA GLN A 19 7.981 -5.203 2.651 1.00 0.00 H new ATOM 0 HB2 GLN A 19 10.210 -5.877 0.690 1.00 0.00 H new ATOM 0 HB3 GLN A 19 9.867 -6.757 2.166 1.00 0.00 H new ATOM 0 HG2 GLN A 19 7.432 -6.939 1.075 1.00 0.00 H new ATOM 0 HG3 GLN A 19 8.332 -6.687 -0.408 1.00 0.00 H new ATOM 0 HE21 GLN A 19 6.915 -9.054 1.112 1.00 0.00 H new ATOM 0 HE22 GLN A 19 8.067 -10.378 0.910 1.00 0.00 H new ATOM 257 N ARG A 20 10.643 -3.356 2.074 1.00 0.00 N ATOM 258 CA ARG A 20 11.688 -2.569 2.718 1.00 0.00 C ATOM 259 C ARG A 20 11.090 -1.379 3.463 1.00 0.00 C ATOM 260 O ARG A 20 11.370 -1.170 4.643 1.00 0.00 O ATOM 261 CB ARG A 20 12.700 -2.079 1.681 1.00 0.00 C ATOM 262 CG ARG A 20 13.507 -3.198 1.042 1.00 0.00 C ATOM 263 CD ARG A 20 14.566 -3.733 1.993 1.00 0.00 C ATOM 264 NE ARG A 20 14.907 -5.124 1.706 1.00 0.00 N ATOM 265 CZ ARG A 20 14.227 -6.161 2.183 1.00 0.00 C ATOM 266 NH1 ARG A 20 13.175 -5.964 2.965 1.00 0.00 N ATOM 267 NH2 ARG A 20 14.599 -7.397 1.876 1.00 0.00 N ATOM 0 H ARG A 20 10.596 -3.247 1.061 1.00 0.00 H new ATOM 0 HA ARG A 20 12.198 -3.208 3.438 1.00 0.00 H new ATOM 0 HB2 ARG A 20 12.172 -1.532 0.900 1.00 0.00 H new ATOM 0 HB3 ARG A 20 13.383 -1.375 2.157 1.00 0.00 H new ATOM 0 HG2 ARG A 20 12.839 -4.007 0.747 1.00 0.00 H new ATOM 0 HG3 ARG A 20 13.984 -2.831 0.133 1.00 0.00 H new ATOM 0 HD2 ARG A 20 15.463 -3.118 1.920 1.00 0.00 H new ATOM 0 HD3 ARG A 20 14.206 -3.652 3.019 1.00 0.00 H new ATOM 0 HE ARG A 20 15.711 -5.309 1.107 1.00 0.00 H new ATOM 0 HH11 ARG A 20 12.886 -5.015 3.202 1.00 0.00 H new ATOM 0 HH12 ARG A 20 12.654 -6.762 3.330 1.00 0.00 H new ATOM 0 HH21 ARG A 20 15.407 -7.551 1.274 1.00 0.00 H new ATOM 0 HH22 ARG A 20 14.077 -8.193 2.243 1.00 0.00 H new ATOM 281 N GLN A 21 10.268 -0.603 2.765 1.00 0.00 N ATOM 282 CA GLN A 21 9.633 0.567 3.361 1.00 0.00 C ATOM 283 C GLN A 21 8.735 0.165 4.526 1.00 0.00 C ATOM 284 O GLN A 21 8.976 0.548 5.671 1.00 0.00 O ATOM 285 CB GLN A 21 8.816 1.321 2.310 1.00 0.00 C ATOM 286 CG GLN A 21 9.651 1.843 1.151 1.00 0.00 C ATOM 287 CD GLN A 21 10.959 2.459 1.605 1.00 0.00 C ATOM 288 OE1 GLN A 21 10.972 3.455 2.328 1.00 0.00 O ATOM 289 NE2 GLN A 21 12.070 1.867 1.181 1.00 0.00 N ATOM 0 H GLN A 21 10.026 -0.763 1.787 1.00 0.00 H new ATOM 0 HA GLN A 21 10.418 1.221 3.740 1.00 0.00 H new ATOM 0 HB2 GLN A 21 8.042 0.660 1.921 1.00 0.00 H new ATOM 0 HB3 GLN A 21 8.309 2.159 2.788 1.00 0.00 H new ATOM 0 HG2 GLN A 21 9.859 1.025 0.461 1.00 0.00 H new ATOM 0 HG3 GLN A 21 9.076 2.587 0.600 1.00 0.00 H new ATOM 0 HE21 GLN A 21 12.012 1.043 0.583 1.00 0.00 H new ATOM 0 HE22 GLN A 21 12.981 2.236 1.454 1.00 0.00 H new ATOM 298 N THR A 22 7.698 -0.611 4.228 1.00 0.00 N ATOM 299 CA THR A 22 6.763 -1.064 5.250 1.00 0.00 C ATOM 300 C THR A 22 7.501 -1.599 6.471 1.00 0.00 C ATOM 301 O THR A 22 7.079 -1.382 7.608 1.00 0.00 O ATOM 302 CB THR A 22 5.827 -2.161 4.708 1.00 0.00 C ATOM 303 OG1 THR A 22 6.593 -3.296 4.290 1.00 0.00 O ATOM 304 CG2 THR A 22 5.002 -1.642 3.541 1.00 0.00 C ATOM 0 H THR A 22 7.484 -0.939 3.286 1.00 0.00 H new ATOM 0 HA THR A 22 6.167 -0.199 5.540 1.00 0.00 H new ATOM 0 HB THR A 22 5.148 -2.456 5.508 1.00 0.00 H new ATOM 0 HG1 THR A 22 7.344 -2.998 3.736 1.00 0.00 H new ATOM 0 HG21 THR A 22 4.349 -2.435 3.176 1.00 0.00 H new ATOM 0 HG22 THR A 22 4.397 -0.797 3.870 1.00 0.00 H new ATOM 0 HG23 THR A 22 5.667 -1.322 2.739 1.00 0.00 H new ATOM 312 N ASP A 23 8.605 -2.298 6.231 1.00 0.00 N ATOM 313 CA ASP A 23 9.403 -2.863 7.313 1.00 0.00 C ATOM 314 C ASP A 23 9.435 -1.922 8.513 1.00 0.00 C ATOM 315 O ASP A 23 9.699 -0.729 8.371 1.00 0.00 O ATOM 316 CB ASP A 23 10.827 -3.144 6.831 1.00 0.00 C ATOM 317 CG ASP A 23 11.664 -3.850 7.879 1.00 0.00 C ATOM 318 OD1 ASP A 23 12.315 -3.154 8.687 1.00 0.00 O ATOM 319 OD2 ASP A 23 11.669 -5.099 7.893 1.00 0.00 O ATOM 0 H ASP A 23 8.968 -2.487 5.297 1.00 0.00 H new ATOM 0 HA ASP A 23 8.940 -3.800 7.622 1.00 0.00 H new ATOM 0 HB2 ASP A 23 10.788 -3.755 5.929 1.00 0.00 H new ATOM 0 HB3 ASP A 23 11.308 -2.204 6.559 1.00 0.00 H new ATOM 324 N GLY A 24 9.164 -2.468 9.694 1.00 0.00 N ATOM 325 CA GLY A 24 9.166 -1.662 10.902 1.00 0.00 C ATOM 326 C GLY A 24 7.812 -1.636 11.583 1.00 0.00 C ATOM 327 O GLY A 24 7.727 -1.677 12.811 1.00 0.00 O ATOM 0 H GLY A 24 8.943 -3.454 9.837 1.00 0.00 H new ATOM 0 HA2 GLY A 24 9.911 -2.053 11.595 1.00 0.00 H new ATOM 0 HA3 GLY A 24 9.465 -0.643 10.655 1.00 0.00 H new ATOM 331 N TYR A 25 6.752 -1.566 10.787 1.00 0.00 N ATOM 332 CA TYR A 25 5.396 -1.530 11.321 1.00 0.00 C ATOM 333 C TYR A 25 5.013 -2.877 11.927 1.00 0.00 C ATOM 334 O TYR A 25 5.767 -3.846 11.841 1.00 0.00 O ATOM 335 CB TYR A 25 4.402 -1.152 10.221 1.00 0.00 C ATOM 336 CG TYR A 25 4.357 0.331 9.930 1.00 0.00 C ATOM 337 CD1 TYR A 25 3.482 1.167 10.613 1.00 0.00 C ATOM 338 CD2 TYR A 25 5.188 0.896 8.970 1.00 0.00 C ATOM 339 CE1 TYR A 25 3.437 2.522 10.350 1.00 0.00 C ATOM 340 CE2 TYR A 25 5.151 2.250 8.701 1.00 0.00 C ATOM 341 CZ TYR A 25 4.273 3.059 9.393 1.00 0.00 C ATOM 342 OH TYR A 25 4.232 4.409 9.127 1.00 0.00 O ATOM 0 H TYR A 25 6.805 -1.533 9.769 1.00 0.00 H new ATOM 0 HA TYR A 25 5.362 -0.776 12.107 1.00 0.00 H new ATOM 0 HB2 TYR A 25 4.664 -1.685 9.307 1.00 0.00 H new ATOM 0 HB3 TYR A 25 3.406 -1.487 10.512 1.00 0.00 H new ATOM 0 HD1 TYR A 25 2.826 0.750 11.362 1.00 0.00 H new ATOM 0 HD2 TYR A 25 5.875 0.265 8.425 1.00 0.00 H new ATOM 0 HE1 TYR A 25 2.751 3.158 10.890 1.00 0.00 H new ATOM 0 HE2 TYR A 25 5.805 2.673 7.953 1.00 0.00 H new ATOM 0 HH TYR A 25 3.802 4.877 9.873 1.00 0.00 H new ATOM 352 N ALA A 26 3.835 -2.929 12.539 1.00 0.00 N ATOM 353 CA ALA A 26 3.349 -4.157 13.157 1.00 0.00 C ATOM 354 C ALA A 26 2.103 -4.674 12.446 1.00 0.00 C ATOM 355 O ALA A 26 1.211 -3.903 12.095 1.00 0.00 O ATOM 356 CB ALA A 26 3.058 -3.926 14.633 1.00 0.00 C ATOM 0 H ALA A 26 3.199 -2.135 12.620 1.00 0.00 H new ATOM 0 HA ALA A 26 4.128 -4.913 13.065 1.00 0.00 H new ATOM 0 HB1 ALA A 26 2.696 -4.851 15.082 1.00 0.00 H new ATOM 0 HB2 ALA A 26 3.971 -3.610 15.139 1.00 0.00 H new ATOM 0 HB3 ALA A 26 2.299 -3.151 14.737 1.00 0.00 H new ATOM 362 N GLY A 27 2.050 -5.986 12.235 1.00 0.00 N ATOM 363 CA GLY A 27 0.909 -6.584 11.565 1.00 0.00 C ATOM 364 C GLY A 27 1.048 -6.565 10.056 1.00 0.00 C ATOM 365 O GLY A 27 0.660 -7.516 9.377 1.00 0.00 O ATOM 0 H GLY A 27 2.776 -6.645 12.516 1.00 0.00 H new ATOM 0 HA2 GLY A 27 0.792 -7.614 11.903 1.00 0.00 H new ATOM 0 HA3 GLY A 27 0.003 -6.050 11.850 1.00 0.00 H new ATOM 369 N VAL A 28 1.603 -5.479 9.527 1.00 0.00 N ATOM 370 CA VAL A 28 1.792 -5.340 8.088 1.00 0.00 C ATOM 371 C VAL A 28 2.479 -6.569 7.503 1.00 0.00 C ATOM 372 O VAL A 28 1.880 -7.320 6.734 1.00 0.00 O ATOM 373 CB VAL A 28 2.625 -4.090 7.749 1.00 0.00 C ATOM 374 CG1 VAL A 28 2.832 -3.976 6.247 1.00 0.00 C ATOM 375 CG2 VAL A 28 1.956 -2.839 8.299 1.00 0.00 C ATOM 0 H VAL A 28 1.930 -4.682 10.074 1.00 0.00 H new ATOM 0 HA VAL A 28 0.800 -5.237 7.647 1.00 0.00 H new ATOM 0 HB VAL A 28 3.603 -4.189 8.220 1.00 0.00 H new ATOM 0 HG11 VAL A 28 3.423 -3.087 6.028 1.00 0.00 H new ATOM 0 HG12 VAL A 28 3.358 -4.859 5.884 1.00 0.00 H new ATOM 0 HG13 VAL A 28 1.864 -3.900 5.751 1.00 0.00 H new ATOM 0 HG21 VAL A 28 2.558 -1.965 8.050 1.00 0.00 H new ATOM 0 HG22 VAL A 28 0.964 -2.733 7.859 1.00 0.00 H new ATOM 0 HG23 VAL A 28 1.866 -2.921 9.382 1.00 0.00 H new ATOM 385 N ASN A 29 3.740 -6.768 7.873 1.00 0.00 N ATOM 386 CA ASN A 29 4.509 -7.906 7.384 1.00 0.00 C ATOM 387 C ASN A 29 4.111 -8.258 5.954 1.00 0.00 C ATOM 388 O ASN A 29 3.796 -9.409 5.651 1.00 0.00 O ATOM 389 CB ASN A 29 4.302 -9.117 8.296 1.00 0.00 C ATOM 390 CG ASN A 29 4.984 -10.363 7.766 1.00 0.00 C ATOM 391 OD1 ASN A 29 4.362 -11.417 7.634 1.00 0.00 O ATOM 392 ND2 ASN A 29 6.271 -10.248 7.459 1.00 0.00 N ATOM 0 H ASN A 29 4.251 -6.156 8.510 1.00 0.00 H new ATOM 0 HA ASN A 29 5.563 -7.630 7.391 1.00 0.00 H new ATOM 0 HB2 ASN A 29 4.688 -8.890 9.290 1.00 0.00 H new ATOM 0 HB3 ASN A 29 3.234 -9.309 8.404 1.00 0.00 H new ATOM 0 HD21 ASN A 29 6.783 -11.053 7.098 1.00 0.00 H new ATOM 0 HD22 ASN A 29 6.747 -9.355 7.584 1.00 0.00 H new ATOM 399 N VAL A 30 4.128 -7.258 5.078 1.00 0.00 N ATOM 400 CA VAL A 30 3.771 -7.462 3.679 1.00 0.00 C ATOM 401 C VAL A 30 4.412 -8.730 3.127 1.00 0.00 C ATOM 402 O VAL A 30 5.626 -8.791 2.928 1.00 0.00 O ATOM 403 CB VAL A 30 4.199 -6.264 2.810 1.00 0.00 C ATOM 404 CG1 VAL A 30 3.875 -6.522 1.347 1.00 0.00 C ATOM 405 CG2 VAL A 30 3.529 -4.988 3.296 1.00 0.00 C ATOM 0 H VAL A 30 4.385 -6.299 5.312 1.00 0.00 H new ATOM 0 HA VAL A 30 2.686 -7.560 3.641 1.00 0.00 H new ATOM 0 HB VAL A 30 5.278 -6.139 2.901 1.00 0.00 H new ATOM 0 HG11 VAL A 30 4.185 -5.665 0.749 1.00 0.00 H new ATOM 0 HG12 VAL A 30 4.406 -7.412 1.008 1.00 0.00 H new ATOM 0 HG13 VAL A 30 2.802 -6.675 1.234 1.00 0.00 H new ATOM 0 HG21 VAL A 30 3.842 -4.152 2.671 1.00 0.00 H new ATOM 0 HG22 VAL A 30 2.446 -5.100 3.236 1.00 0.00 H new ATOM 0 HG23 VAL A 30 3.817 -4.797 4.330 1.00 0.00 H new ATOM 415 N THR A 31 3.588 -9.744 2.880 1.00 0.00 N ATOM 416 CA THR A 31 4.074 -11.012 2.351 1.00 0.00 C ATOM 417 C THR A 31 3.696 -11.177 0.883 1.00 0.00 C ATOM 418 O THR A 31 4.480 -11.690 0.085 1.00 0.00 O ATOM 419 CB THR A 31 3.515 -12.205 3.150 1.00 0.00 C ATOM 420 OG1 THR A 31 2.084 -12.180 3.131 1.00 0.00 O ATOM 421 CG2 THR A 31 4.009 -12.171 4.589 1.00 0.00 C ATOM 0 H THR A 31 2.581 -9.711 3.038 1.00 0.00 H new ATOM 0 HA THR A 31 5.160 -10.998 2.444 1.00 0.00 H new ATOM 0 HB THR A 31 3.868 -13.124 2.683 1.00 0.00 H new ATOM 0 HG1 THR A 31 1.737 -12.942 3.640 1.00 0.00 H new ATOM 0 HG21 THR A 31 3.602 -13.023 5.134 1.00 0.00 H new ATOM 0 HG22 THR A 31 5.098 -12.220 4.601 1.00 0.00 H new ATOM 0 HG23 THR A 31 3.682 -11.246 5.064 1.00 0.00 H new ATOM 429 N ASP A 32 2.492 -10.739 0.535 1.00 0.00 N ATOM 430 CA ASP A 32 2.011 -10.836 -0.839 1.00 0.00 C ATOM 431 C ASP A 32 1.549 -9.475 -1.350 1.00 0.00 C ATOM 432 O ASP A 32 1.690 -8.461 -0.665 1.00 0.00 O ATOM 433 CB ASP A 32 0.865 -11.845 -0.930 1.00 0.00 C ATOM 434 CG ASP A 32 1.359 -13.275 -1.023 1.00 0.00 C ATOM 435 OD1 ASP A 32 2.431 -13.495 -1.626 1.00 0.00 O ATOM 436 OD2 ASP A 32 0.674 -14.175 -0.493 1.00 0.00 O ATOM 0 H ASP A 32 1.831 -10.313 1.184 1.00 0.00 H new ATOM 0 HA ASP A 32 2.836 -11.178 -1.464 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.223 -11.742 -0.055 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.253 -11.618 -1.803 1.00 0.00 H new ATOM 441 N LEU A 33 0.996 -9.460 -2.558 1.00 0.00 N ATOM 442 CA LEU A 33 0.514 -8.223 -3.163 1.00 0.00 C ATOM 443 C LEU A 33 -0.972 -8.321 -3.491 1.00 0.00 C ATOM 444 O LEU A 33 -1.464 -7.656 -4.404 1.00 0.00 O ATOM 445 CB LEU A 33 1.308 -7.909 -4.432 1.00 0.00 C ATOM 446 CG LEU A 33 2.808 -7.678 -4.245 1.00 0.00 C ATOM 447 CD1 LEU A 33 3.518 -7.664 -5.590 1.00 0.00 C ATOM 448 CD2 LEU A 33 3.058 -6.379 -3.494 1.00 0.00 C ATOM 0 H LEU A 33 0.870 -10.290 -3.138 1.00 0.00 H new ATOM 0 HA LEU A 33 0.657 -7.416 -2.444 1.00 0.00 H new ATOM 0 HB2 LEU A 33 1.172 -8.731 -5.134 1.00 0.00 H new ATOM 0 HB3 LEU A 33 0.879 -7.020 -4.895 1.00 0.00 H new ATOM 0 HG LEU A 33 3.212 -8.500 -3.653 1.00 0.00 H new ATOM 0 HD11 LEU A 33 4.584 -7.498 -5.437 1.00 0.00 H new ATOM 0 HD12 LEU A 33 3.368 -8.620 -6.091 1.00 0.00 H new ATOM 0 HD13 LEU A 33 3.112 -6.863 -6.208 1.00 0.00 H new ATOM 0 HD21 LEU A 33 4.131 -6.231 -3.370 1.00 0.00 H new ATOM 0 HD22 LEU A 33 2.640 -5.546 -4.059 1.00 0.00 H new ATOM 0 HD23 LEU A 33 2.583 -6.428 -2.514 1.00 0.00 H new ATOM 460 N THR A 34 -1.686 -9.153 -2.739 1.00 0.00 N ATOM 461 CA THR A 34 -3.116 -9.338 -2.948 1.00 0.00 C ATOM 462 C THR A 34 -3.898 -9.079 -1.665 1.00 0.00 C ATOM 463 O THR A 34 -4.671 -8.125 -1.581 1.00 0.00 O ATOM 464 CB THR A 34 -3.432 -10.759 -3.450 1.00 0.00 C ATOM 465 OG1 THR A 34 -2.783 -11.728 -2.618 1.00 0.00 O ATOM 466 CG2 THR A 34 -2.979 -10.937 -4.892 1.00 0.00 C ATOM 0 H THR A 34 -1.296 -9.710 -1.979 1.00 0.00 H new ATOM 0 HA THR A 34 -3.419 -8.617 -3.707 1.00 0.00 H new ATOM 0 HB THR A 34 -4.511 -10.905 -3.404 1.00 0.00 H new ATOM 0 HG1 THR A 34 -2.990 -12.629 -2.943 1.00 0.00 H new ATOM 0 HG21 THR A 34 -3.213 -11.948 -5.225 1.00 0.00 H new ATOM 0 HG22 THR A 34 -3.496 -10.218 -5.527 1.00 0.00 H new ATOM 0 HG23 THR A 34 -1.904 -10.773 -4.958 1.00 0.00 H new ATOM 474 N MET A 35 -3.690 -9.933 -0.669 1.00 0.00 N ATOM 475 CA MET A 35 -4.375 -9.794 0.611 1.00 0.00 C ATOM 476 C MET A 35 -3.586 -8.892 1.555 1.00 0.00 C ATOM 477 O MET A 35 -4.158 -8.054 2.251 1.00 0.00 O ATOM 478 CB MET A 35 -4.583 -11.167 1.254 1.00 0.00 C ATOM 479 CG MET A 35 -3.285 -11.880 1.598 1.00 0.00 C ATOM 480 SD MET A 35 -3.486 -13.667 1.721 1.00 0.00 S ATOM 481 CE MET A 35 -3.658 -14.108 -0.007 1.00 0.00 C ATOM 0 H MET A 35 -3.053 -10.728 -0.723 1.00 0.00 H new ATOM 0 HA MET A 35 -5.347 -9.336 0.427 1.00 0.00 H new ATOM 0 HB2 MET A 35 -5.174 -11.048 2.162 1.00 0.00 H new ATOM 0 HB3 MET A 35 -5.163 -11.793 0.576 1.00 0.00 H new ATOM 0 HG2 MET A 35 -2.538 -11.654 0.837 1.00 0.00 H new ATOM 0 HG3 MET A 35 -2.903 -11.495 2.544 1.00 0.00 H new ATOM 0 HE1 MET A 35 -3.471 -15.175 -0.131 1.00 0.00 H new ATOM 0 HE2 MET A 35 -4.668 -13.875 -0.343 1.00 0.00 H new ATOM 0 HE3 MET A 35 -2.939 -13.543 -0.600 1.00 0.00 H new ATOM 491 N SER A 36 -2.269 -9.071 1.573 1.00 0.00 N ATOM 492 CA SER A 36 -1.402 -8.275 2.435 1.00 0.00 C ATOM 493 C SER A 36 -1.893 -6.833 2.517 1.00 0.00 C ATOM 494 O SER A 36 -1.711 -6.161 3.532 1.00 0.00 O ATOM 495 CB SER A 36 0.037 -8.308 1.916 1.00 0.00 C ATOM 496 OG SER A 36 0.255 -7.290 0.954 1.00 0.00 O ATOM 0 H SER A 36 -1.779 -9.759 1.001 1.00 0.00 H new ATOM 0 HA SER A 36 -1.430 -8.707 3.436 1.00 0.00 H new ATOM 0 HB2 SER A 36 0.730 -8.181 2.748 1.00 0.00 H new ATOM 0 HB3 SER A 36 0.245 -9.282 1.473 1.00 0.00 H new ATOM 0 HG SER A 36 0.524 -7.696 0.103 1.00 0.00 H new ATOM 502 N TRP A 37 -2.515 -6.365 1.441 1.00 0.00 N ATOM 503 CA TRP A 37 -3.032 -5.002 1.391 1.00 0.00 C ATOM 504 C TRP A 37 -4.528 -4.976 1.687 1.00 0.00 C ATOM 505 O TRP A 37 -5.034 -4.035 2.299 1.00 0.00 O ATOM 506 CB TRP A 37 -2.761 -4.382 0.019 1.00 0.00 C ATOM 507 CG TRP A 37 -1.320 -4.448 -0.388 1.00 0.00 C ATOM 508 CD1 TRP A 37 -0.702 -5.468 -1.054 1.00 0.00 C ATOM 509 CD2 TRP A 37 -0.317 -3.454 -0.154 1.00 0.00 C ATOM 510 NE1 TRP A 37 0.624 -5.167 -1.248 1.00 0.00 N ATOM 511 CE2 TRP A 37 0.885 -3.937 -0.706 1.00 0.00 C ATOM 512 CE3 TRP A 37 -0.318 -2.202 0.466 1.00 0.00 C ATOM 513 CZ2 TRP A 37 2.072 -3.211 -0.653 1.00 0.00 C ATOM 514 CZ3 TRP A 37 0.860 -1.483 0.518 1.00 0.00 C ATOM 515 CH2 TRP A 37 2.042 -1.988 -0.040 1.00 0.00 C ATOM 0 H TRP A 37 -2.674 -6.908 0.592 1.00 0.00 H new ATOM 0 HA TRP A 37 -2.519 -4.417 2.154 1.00 0.00 H new ATOM 0 HB2 TRP A 37 -3.366 -4.894 -0.729 1.00 0.00 H new ATOM 0 HB3 TRP A 37 -3.081 -3.340 0.029 1.00 0.00 H new ATOM 0 HD1 TRP A 37 -1.185 -6.377 -1.380 1.00 0.00 H new ATOM 0 HE1 TRP A 37 1.304 -5.763 -1.719 1.00 0.00 H new ATOM 0 HE3 TRP A 37 -1.224 -1.803 0.897 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 2.984 -3.600 -1.081 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 0.870 -0.515 0.997 1.00 0.00 H new ATOM 0 HH2 TRP A 37 2.947 -1.401 0.015 1.00 0.00 H new ATOM 526 N LYS A 38 -5.231 -6.016 1.250 1.00 0.00 N ATOM 527 CA LYS A 38 -6.669 -6.113 1.470 1.00 0.00 C ATOM 528 C LYS A 38 -7.058 -5.498 2.810 1.00 0.00 C ATOM 529 O LYS A 38 -8.037 -4.757 2.903 1.00 0.00 O ATOM 530 CB LYS A 38 -7.115 -7.577 1.420 1.00 0.00 C ATOM 531 CG LYS A 38 -7.514 -8.044 0.031 1.00 0.00 C ATOM 532 CD LYS A 38 -8.089 -9.450 0.059 1.00 0.00 C ATOM 533 CE LYS A 38 -9.573 -9.439 0.391 1.00 0.00 C ATOM 534 NZ LYS A 38 -9.814 -9.531 1.857 1.00 0.00 N ATOM 0 H LYS A 38 -4.828 -6.803 0.742 1.00 0.00 H new ATOM 0 HA LYS A 38 -7.171 -5.558 0.677 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -6.305 -8.207 1.788 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -7.958 -7.714 2.097 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -8.250 -7.357 -0.387 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -6.645 -8.019 -0.626 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -7.935 -9.926 -0.909 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -7.554 -10.048 0.797 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -10.025 -8.525 0.005 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -10.064 -10.273 -0.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -10.603 -10.183 2.039 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -8.957 -9.885 2.328 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -10.050 -8.589 2.230 1.00 0.00 H new ATOM 548 N SER A 39 -6.284 -5.809 3.846 1.00 0.00 N ATOM 549 CA SER A 39 -6.550 -5.288 5.182 1.00 0.00 C ATOM 550 C SER A 39 -6.562 -3.762 5.177 1.00 0.00 C ATOM 551 O SER A 39 -7.563 -3.137 5.525 1.00 0.00 O ATOM 552 CB SER A 39 -5.498 -5.798 6.169 1.00 0.00 C ATOM 553 OG SER A 39 -4.187 -5.523 5.705 1.00 0.00 O ATOM 0 H SER A 39 -5.468 -6.419 3.786 1.00 0.00 H new ATOM 0 HA SER A 39 -7.533 -5.641 5.495 1.00 0.00 H new ATOM 0 HB2 SER A 39 -5.649 -5.328 7.141 1.00 0.00 H new ATOM 0 HB3 SER A 39 -5.619 -6.872 6.311 1.00 0.00 H new ATOM 0 HG SER A 39 -3.533 -5.857 6.354 1.00 0.00 H new ATOM 559 N GLY A 40 -5.440 -3.168 4.780 1.00 0.00 N ATOM 560 CA GLY A 40 -5.342 -1.721 4.737 1.00 0.00 C ATOM 561 C GLY A 40 -4.112 -1.202 5.455 1.00 0.00 C ATOM 562 O GLY A 40 -3.439 -0.292 4.971 1.00 0.00 O ATOM 0 H GLY A 40 -4.598 -3.663 4.488 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -5.318 -1.392 3.698 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -6.233 -1.286 5.189 1.00 0.00 H new ATOM 566 N LEU A 41 -3.818 -1.780 6.615 1.00 0.00 N ATOM 567 CA LEU A 41 -2.661 -1.370 7.403 1.00 0.00 C ATOM 568 C LEU A 41 -1.446 -1.145 6.509 1.00 0.00 C ATOM 569 O LEU A 41 -0.776 -0.117 6.602 1.00 0.00 O ATOM 570 CB LEU A 41 -2.341 -2.425 8.463 1.00 0.00 C ATOM 571 CG LEU A 41 -3.491 -2.811 9.394 1.00 0.00 C ATOM 572 CD1 LEU A 41 -3.126 -4.041 10.211 1.00 0.00 C ATOM 573 CD2 LEU A 41 -3.850 -1.648 10.308 1.00 0.00 C ATOM 0 H LEU A 41 -4.365 -2.534 7.030 1.00 0.00 H new ATOM 0 HA LEU A 41 -2.904 -0.430 7.898 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -1.992 -3.325 7.957 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.514 -2.060 9.072 1.00 0.00 H new ATOM 0 HG LEU A 41 -4.362 -3.051 8.785 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -3.956 -4.301 10.868 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -2.919 -4.875 9.540 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -2.241 -3.830 10.811 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -4.670 -1.940 10.964 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -2.983 -1.377 10.910 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -4.155 -0.792 9.705 1.00 0.00 H new ATOM 585 N ALA A 42 -1.168 -2.113 5.642 1.00 0.00 N ATOM 586 CA ALA A 42 -0.036 -2.019 4.728 1.00 0.00 C ATOM 587 C ALA A 42 -0.075 -0.715 3.939 1.00 0.00 C ATOM 588 O ALA A 42 0.867 0.078 3.985 1.00 0.00 O ATOM 589 CB ALA A 42 -0.021 -3.211 3.782 1.00 0.00 C ATOM 0 H ALA A 42 -1.711 -2.972 5.553 1.00 0.00 H new ATOM 0 HA ALA A 42 0.879 -2.028 5.320 1.00 0.00 H new ATOM 0 HB1 ALA A 42 0.829 -3.128 3.105 1.00 0.00 H new ATOM 0 HB2 ALA A 42 0.063 -4.132 4.359 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -0.945 -3.228 3.204 1.00 0.00 H new ATOM 595 N LEU A 43 -1.167 -0.499 3.215 1.00 0.00 N ATOM 596 CA LEU A 43 -1.328 0.710 2.415 1.00 0.00 C ATOM 597 C LEU A 43 -1.206 1.958 3.283 1.00 0.00 C ATOM 598 O LEU A 43 -0.486 2.897 2.940 1.00 0.00 O ATOM 599 CB LEU A 43 -2.683 0.699 1.705 1.00 0.00 C ATOM 600 CG LEU A 43 -2.979 1.898 0.804 1.00 0.00 C ATOM 601 CD1 LEU A 43 -1.902 2.045 -0.260 1.00 0.00 C ATOM 602 CD2 LEU A 43 -4.351 1.757 0.161 1.00 0.00 C ATOM 0 H LEU A 43 -1.955 -1.145 3.165 1.00 0.00 H new ATOM 0 HA LEU A 43 -0.534 0.730 1.669 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -2.748 -0.207 1.103 1.00 0.00 H new ATOM 0 HB3 LEU A 43 -3.466 0.636 2.461 1.00 0.00 H new ATOM 0 HG LEU A 43 -2.979 2.798 1.419 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -2.130 2.904 -0.892 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -0.935 2.194 0.220 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.869 1.143 -0.871 1.00 0.00 H new ATOM 0 HD21 LEU A 43 -4.544 2.620 -0.477 1.00 0.00 H new ATOM 0 HD22 LEU A 43 -4.380 0.848 -0.440 1.00 0.00 H new ATOM 0 HD23 LEU A 43 -5.113 1.702 0.938 1.00 0.00 H new ATOM 614 N CYS A 44 -1.912 1.961 4.408 1.00 0.00 N ATOM 615 CA CYS A 44 -1.882 3.094 5.326 1.00 0.00 C ATOM 616 C CYS A 44 -0.466 3.342 5.838 1.00 0.00 C ATOM 617 O CYS A 44 -0.066 4.485 6.057 1.00 0.00 O ATOM 618 CB CYS A 44 -2.827 2.848 6.503 1.00 0.00 C ATOM 619 SG CYS A 44 -4.526 2.467 6.019 1.00 0.00 S ATOM 0 H CYS A 44 -2.512 1.192 4.706 1.00 0.00 H new ATOM 0 HA CYS A 44 -2.213 3.979 4.783 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -2.438 2.024 7.101 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -2.832 3.731 7.142 1.00 0.00 H new ATOM 0 HG CYS A 44 -4.555 1.324 5.400 1.00 0.00 H new ATOM 625 N ALA A 45 0.286 2.263 6.027 1.00 0.00 N ATOM 626 CA ALA A 45 1.657 2.363 6.513 1.00 0.00 C ATOM 627 C ALA A 45 2.552 3.055 5.490 1.00 0.00 C ATOM 628 O ALA A 45 3.504 3.746 5.852 1.00 0.00 O ATOM 629 CB ALA A 45 2.201 0.982 6.845 1.00 0.00 C ATOM 0 H ALA A 45 -0.031 1.310 5.851 1.00 0.00 H new ATOM 0 HA ALA A 45 1.652 2.967 7.420 1.00 0.00 H new ATOM 0 HB1 ALA A 45 3.225 1.072 7.207 1.00 0.00 H new ATOM 0 HB2 ALA A 45 1.583 0.523 7.617 1.00 0.00 H new ATOM 0 HB3 ALA A 45 2.185 0.360 5.950 1.00 0.00 H new ATOM 635 N ILE A 46 2.241 2.863 4.213 1.00 0.00 N ATOM 636 CA ILE A 46 3.018 3.469 3.138 1.00 0.00 C ATOM 637 C ILE A 46 2.890 4.988 3.157 1.00 0.00 C ATOM 638 O ILE A 46 3.890 5.706 3.139 1.00 0.00 O ATOM 639 CB ILE A 46 2.576 2.945 1.759 1.00 0.00 C ATOM 640 CG1 ILE A 46 2.757 1.427 1.684 1.00 0.00 C ATOM 641 CG2 ILE A 46 3.363 3.633 0.654 1.00 0.00 C ATOM 642 CD1 ILE A 46 4.204 0.988 1.740 1.00 0.00 C ATOM 0 H ILE A 46 1.457 2.293 3.897 1.00 0.00 H new ATOM 0 HA ILE A 46 4.059 3.192 3.306 1.00 0.00 H new ATOM 0 HB ILE A 46 1.519 3.173 1.622 1.00 0.00 H new ATOM 0 HG12 ILE A 46 2.213 0.963 2.507 1.00 0.00 H new ATOM 0 HG13 ILE A 46 2.310 1.061 0.760 1.00 0.00 H new ATOM 0 HG21 ILE A 46 3.039 3.252 -0.315 1.00 0.00 H new ATOM 0 HG22 ILE A 46 3.188 4.708 0.698 1.00 0.00 H new ATOM 0 HG23 ILE A 46 4.426 3.433 0.786 1.00 0.00 H new ATOM 0 HD11 ILE A 46 4.257 -0.099 1.682 1.00 0.00 H new ATOM 0 HD12 ILE A 46 4.749 1.423 0.902 1.00 0.00 H new ATOM 0 HD13 ILE A 46 4.650 1.324 2.676 1.00 0.00 H new ATOM 654 N ILE A 47 1.653 5.472 3.195 1.00 0.00 N ATOM 655 CA ILE A 47 1.394 6.906 3.220 1.00 0.00 C ATOM 656 C ILE A 47 1.961 7.545 4.483 1.00 0.00 C ATOM 657 O ILE A 47 2.581 8.608 4.429 1.00 0.00 O ATOM 658 CB ILE A 47 -0.114 7.208 3.138 1.00 0.00 C ATOM 659 CG1 ILE A 47 -0.698 6.651 1.838 1.00 0.00 C ATOM 660 CG2 ILE A 47 -0.361 8.706 3.237 1.00 0.00 C ATOM 661 CD1 ILE A 47 -2.210 6.646 1.808 1.00 0.00 C ATOM 0 H ILE A 47 0.814 4.892 3.209 1.00 0.00 H new ATOM 0 HA ILE A 47 1.889 7.331 2.347 1.00 0.00 H new ATOM 0 HB ILE A 47 -0.613 6.721 3.976 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -0.328 7.242 1.000 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -0.336 5.633 1.694 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -1.431 8.903 3.177 1.00 0.00 H new ATOM 0 HG22 ILE A 47 0.024 9.076 4.187 1.00 0.00 H new ATOM 0 HG23 ILE A 47 0.147 9.214 2.417 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -2.554 6.238 0.857 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -2.588 6.031 2.625 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -2.580 7.665 1.920 1.00 0.00 H new ATOM 673 N HIS A 48 1.747 6.890 5.619 1.00 0.00 N ATOM 674 CA HIS A 48 2.239 7.393 6.896 1.00 0.00 C ATOM 675 C HIS A 48 3.763 7.364 6.941 1.00 0.00 C ATOM 676 O HIS A 48 4.403 8.356 7.293 1.00 0.00 O ATOM 677 CB HIS A 48 1.668 6.565 8.049 1.00 0.00 C ATOM 678 CG HIS A 48 2.239 6.926 9.385 1.00 0.00 C ATOM 679 ND1 HIS A 48 3.579 6.810 9.687 1.00 0.00 N ATOM 680 CD2 HIS A 48 1.643 7.404 10.503 1.00 0.00 C ATOM 681 CE1 HIS A 48 3.783 7.199 10.933 1.00 0.00 C ATOM 682 NE2 HIS A 48 2.624 7.565 11.450 1.00 0.00 N ATOM 0 H HIS A 48 1.236 6.009 5.681 1.00 0.00 H new ATOM 0 HA HIS A 48 1.909 8.427 7.002 1.00 0.00 H new ATOM 0 HB2 HIS A 48 0.586 6.695 8.078 1.00 0.00 H new ATOM 0 HB3 HIS A 48 1.857 5.509 7.856 1.00 0.00 H new ATOM 0 HD1 HIS A 48 4.301 6.476 9.048 1.00 0.00 H new ATOM 0 HD2 HIS A 48 0.592 7.619 10.627 1.00 0.00 H new ATOM 0 HE1 HIS A 48 4.735 7.215 11.442 1.00 0.00 H new ATOM 691 N ARG A 49 4.339 6.221 6.582 1.00 0.00 N ATOM 692 CA ARG A 49 5.789 6.063 6.583 1.00 0.00 C ATOM 693 C ARG A 49 6.479 7.369 6.202 1.00 0.00 C ATOM 694 O ARG A 49 7.360 7.849 6.915 1.00 0.00 O ATOM 695 CB ARG A 49 6.203 4.953 5.615 1.00 0.00 C ATOM 696 CG ARG A 49 7.702 4.706 5.577 1.00 0.00 C ATOM 697 CD ARG A 49 8.128 3.702 6.636 1.00 0.00 C ATOM 698 NE ARG A 49 9.515 3.279 6.463 1.00 0.00 N ATOM 699 CZ ARG A 49 10.270 2.810 7.450 1.00 0.00 C ATOM 700 NH1 ARG A 49 9.773 2.704 8.675 1.00 0.00 N ATOM 701 NH2 ARG A 49 11.523 2.445 7.214 1.00 0.00 N ATOM 0 H ARG A 49 3.824 5.391 6.287 1.00 0.00 H new ATOM 0 HA ARG A 49 6.099 5.790 7.592 1.00 0.00 H new ATOM 0 HB2 ARG A 49 5.698 4.029 5.898 1.00 0.00 H new ATOM 0 HB3 ARG A 49 5.860 5.210 4.613 1.00 0.00 H new ATOM 0 HG2 ARG A 49 7.986 4.339 4.591 1.00 0.00 H new ATOM 0 HG3 ARG A 49 8.231 5.646 5.732 1.00 0.00 H new ATOM 0 HD2 ARG A 49 8.004 4.144 7.625 1.00 0.00 H new ATOM 0 HD3 ARG A 49 7.475 2.830 6.592 1.00 0.00 H new ATOM 0 HE ARG A 49 9.927 3.348 5.532 1.00 0.00 H new ATOM 0 HH11 ARG A 49 8.810 2.983 8.860 1.00 0.00 H new ATOM 0 HH12 ARG A 49 10.354 2.344 9.432 1.00 0.00 H new ATOM 0 HH21 ARG A 49 11.909 2.524 6.273 1.00 0.00 H new ATOM 0 HH22 ARG A 49 12.101 2.085 7.973 1.00 0.00 H new ATOM 715 N TYR A 50 6.072 7.939 5.073 1.00 0.00 N ATOM 716 CA TYR A 50 6.652 9.188 4.595 1.00 0.00 C ATOM 717 C TYR A 50 5.923 10.390 5.188 1.00 0.00 C ATOM 718 O TYR A 50 6.550 11.335 5.668 1.00 0.00 O ATOM 719 CB TYR A 50 6.598 9.248 3.067 1.00 0.00 C ATOM 720 CG TYR A 50 7.527 8.266 2.390 1.00 0.00 C ATOM 721 CD1 TYR A 50 7.367 6.896 2.563 1.00 0.00 C ATOM 722 CD2 TYR A 50 8.564 8.706 1.577 1.00 0.00 C ATOM 723 CE1 TYR A 50 8.213 5.995 1.947 1.00 0.00 C ATOM 724 CE2 TYR A 50 9.414 7.812 0.955 1.00 0.00 C ATOM 725 CZ TYR A 50 9.235 6.458 1.144 1.00 0.00 C ATOM 726 OH TYR A 50 10.080 5.564 0.527 1.00 0.00 O ATOM 0 H TYR A 50 5.343 7.556 4.472 1.00 0.00 H new ATOM 0 HA TYR A 50 7.693 9.222 4.917 1.00 0.00 H new ATOM 0 HB2 TYR A 50 5.577 9.054 2.740 1.00 0.00 H new ATOM 0 HB3 TYR A 50 6.850 10.257 2.742 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.567 6.530 3.190 1.00 0.00 H new ATOM 0 HD2 TYR A 50 8.708 9.766 1.429 1.00 0.00 H new ATOM 0 HE1 TYR A 50 8.075 4.934 2.093 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.214 8.172 0.325 1.00 0.00 H new ATOM 0 HH TYR A 50 10.442 4.943 1.193 1.00 0.00 H new ATOM 736 N ARG A 51 4.596 10.345 5.152 1.00 0.00 N ATOM 737 CA ARG A 51 3.780 11.430 5.685 1.00 0.00 C ATOM 738 C ARG A 51 2.709 10.891 6.629 1.00 0.00 C ATOM 739 O ARG A 51 1.640 10.449 6.206 1.00 0.00 O ATOM 740 CB ARG A 51 3.124 12.211 4.545 1.00 0.00 C ATOM 741 CG ARG A 51 4.120 12.808 3.564 1.00 0.00 C ATOM 742 CD ARG A 51 4.603 14.176 4.023 1.00 0.00 C ATOM 743 NE ARG A 51 5.098 14.983 2.911 1.00 0.00 N ATOM 744 CZ ARG A 51 6.339 14.908 2.444 1.00 0.00 C ATOM 745 NH1 ARG A 51 7.207 14.066 2.990 1.00 0.00 N ATOM 746 NH2 ARG A 51 6.715 15.675 1.429 1.00 0.00 N ATOM 0 H ARG A 51 4.062 9.569 4.760 1.00 0.00 H new ATOM 0 HA ARG A 51 4.432 12.099 6.247 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.447 11.549 4.005 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.517 13.012 4.967 1.00 0.00 H new ATOM 0 HG2 ARG A 51 4.972 12.137 3.456 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.657 12.895 2.581 1.00 0.00 H new ATOM 0 HD2 ARG A 51 3.786 14.702 4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 51 5.395 14.052 4.762 1.00 0.00 H new ATOM 0 HE ARG A 51 4.455 15.640 2.469 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.922 13.474 3.770 1.00 0.00 H new ATOM 0 HH12 ARG A 51 8.159 14.010 2.629 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.051 16.323 1.006 1.00 0.00 H new ATOM 0 HH22 ARG A 51 7.668 15.616 1.071 1.00 0.00 H new ATOM 760 N PRO A 52 3.000 10.928 7.937 1.00 0.00 N ATOM 761 CA PRO A 52 2.074 10.447 8.968 1.00 0.00 C ATOM 762 C PRO A 52 0.852 11.347 9.115 1.00 0.00 C ATOM 763 O PRO A 52 -0.247 10.875 9.405 1.00 0.00 O ATOM 764 CB PRO A 52 2.918 10.479 10.245 1.00 0.00 C ATOM 765 CG PRO A 52 3.960 11.512 9.985 1.00 0.00 C ATOM 766 CD PRO A 52 4.254 11.442 8.512 1.00 0.00 C ATOM 0 HA PRO A 52 1.674 9.462 8.729 1.00 0.00 H new ATOM 0 HB2 PRO A 52 2.312 10.738 11.113 1.00 0.00 H new ATOM 0 HB3 PRO A 52 3.367 9.506 10.447 1.00 0.00 H new ATOM 0 HG2 PRO A 52 3.605 12.504 10.265 1.00 0.00 H new ATOM 0 HG3 PRO A 52 4.858 11.317 10.572 1.00 0.00 H new ATOM 0 HD2 PRO A 52 4.510 12.421 8.107 1.00 0.00 H new ATOM 0 HD3 PRO A 52 5.094 10.780 8.301 1.00 0.00 H new ATOM 774 N ASP A 53 1.051 12.645 8.911 1.00 0.00 N ATOM 775 CA ASP A 53 -0.036 13.611 9.020 1.00 0.00 C ATOM 776 C ASP A 53 -1.222 13.194 8.155 1.00 0.00 C ATOM 777 O ASP A 53 -2.336 13.022 8.651 1.00 0.00 O ATOM 778 CB ASP A 53 0.447 15.003 8.608 1.00 0.00 C ATOM 779 CG ASP A 53 -0.679 15.878 8.095 1.00 0.00 C ATOM 780 OD1 ASP A 53 -1.036 15.752 6.905 1.00 0.00 O ATOM 781 OD2 ASP A 53 -1.205 16.690 8.885 1.00 0.00 O ATOM 0 H ASP A 53 1.955 13.052 8.669 1.00 0.00 H new ATOM 0 HA ASP A 53 -0.360 13.641 10.060 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.920 15.488 9.462 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.209 14.906 7.835 1.00 0.00 H new ATOM 786 N LEU A 54 -0.975 13.034 6.859 1.00 0.00 N ATOM 787 CA LEU A 54 -2.023 12.638 5.925 1.00 0.00 C ATOM 788 C LEU A 54 -2.895 11.536 6.518 1.00 0.00 C ATOM 789 O LEU A 54 -4.098 11.718 6.708 1.00 0.00 O ATOM 790 CB LEU A 54 -1.406 12.162 4.608 1.00 0.00 C ATOM 791 CG LEU A 54 -0.384 13.102 3.967 1.00 0.00 C ATOM 792 CD1 LEU A 54 0.061 12.566 2.616 1.00 0.00 C ATOM 793 CD2 LEU A 54 -0.964 14.502 3.823 1.00 0.00 C ATOM 0 H LEU A 54 -0.059 13.172 6.432 1.00 0.00 H new ATOM 0 HA LEU A 54 -2.651 13.508 5.733 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -0.925 11.199 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -2.211 11.991 3.893 1.00 0.00 H new ATOM 0 HG LEU A 54 0.489 13.157 4.618 1.00 0.00 H new ATOM 0 HD11 LEU A 54 0.788 13.248 2.175 1.00 0.00 H new ATOM 0 HD12 LEU A 54 0.517 11.585 2.746 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -0.802 12.480 1.956 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -0.223 15.157 3.365 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -1.853 14.464 3.194 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.231 14.888 4.807 1.00 0.00 H new ATOM 805 N ILE A 55 -2.280 10.396 6.812 1.00 0.00 N ATOM 806 CA ILE A 55 -2.999 9.266 7.387 1.00 0.00 C ATOM 807 C ILE A 55 -2.397 8.856 8.727 1.00 0.00 C ATOM 808 O ILE A 55 -1.180 8.728 8.859 1.00 0.00 O ATOM 809 CB ILE A 55 -2.991 8.052 6.440 1.00 0.00 C ATOM 810 CG1 ILE A 55 -4.013 7.011 6.902 1.00 0.00 C ATOM 811 CG2 ILE A 55 -1.599 7.442 6.372 1.00 0.00 C ATOM 812 CD1 ILE A 55 -4.603 6.200 5.769 1.00 0.00 C ATOM 0 H ILE A 55 -1.285 10.230 6.661 1.00 0.00 H new ATOM 0 HA ILE A 55 -4.028 9.591 7.538 1.00 0.00 H new ATOM 0 HB ILE A 55 -3.268 8.387 5.441 1.00 0.00 H new ATOM 0 HG12 ILE A 55 -3.536 6.335 7.612 1.00 0.00 H new ATOM 0 HG13 ILE A 55 -4.819 7.516 7.435 1.00 0.00 H new ATOM 0 HG21 ILE A 55 -1.610 6.585 5.699 1.00 0.00 H new ATOM 0 HG22 ILE A 55 -0.894 8.186 6.001 1.00 0.00 H new ATOM 0 HG23 ILE A 55 -1.295 7.118 7.367 1.00 0.00 H new ATOM 0 HD11 ILE A 55 -5.319 5.482 6.170 1.00 0.00 H new ATOM 0 HD12 ILE A 55 -5.109 6.866 5.070 1.00 0.00 H new ATOM 0 HD13 ILE A 55 -3.806 5.667 5.250 1.00 0.00 H new ATOM 824 N ASP A 56 -3.258 8.650 9.717 1.00 0.00 N ATOM 825 CA ASP A 56 -2.812 8.251 11.047 1.00 0.00 C ATOM 826 C ASP A 56 -2.947 6.743 11.236 1.00 0.00 C ATOM 827 O ASP A 56 -4.048 6.229 11.438 1.00 0.00 O ATOM 828 CB ASP A 56 -3.617 8.986 12.120 1.00 0.00 C ATOM 829 CG ASP A 56 -2.854 9.124 13.423 1.00 0.00 C ATOM 830 OD1 ASP A 56 -2.457 8.085 13.990 1.00 0.00 O ATOM 831 OD2 ASP A 56 -2.654 10.271 13.876 1.00 0.00 O ATOM 0 H ASP A 56 -4.269 8.753 9.624 1.00 0.00 H new ATOM 0 HA ASP A 56 -1.760 8.519 11.146 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -3.886 9.977 11.753 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -4.548 8.450 12.303 1.00 0.00 H new ATOM 836 N PHE A 57 -1.822 6.040 11.167 1.00 0.00 N ATOM 837 CA PHE A 57 -1.815 4.591 11.328 1.00 0.00 C ATOM 838 C PHE A 57 -2.058 4.204 12.784 1.00 0.00 C ATOM 839 O PHE A 57 -2.973 3.440 13.091 1.00 0.00 O ATOM 840 CB PHE A 57 -0.483 4.009 10.850 1.00 0.00 C ATOM 841 CG PHE A 57 -0.453 2.508 10.841 1.00 0.00 C ATOM 842 CD1 PHE A 57 -0.091 1.802 11.977 1.00 0.00 C ATOM 843 CD2 PHE A 57 -0.787 1.802 9.696 1.00 0.00 C ATOM 844 CE1 PHE A 57 -0.062 0.420 11.971 1.00 0.00 C ATOM 845 CE2 PHE A 57 -0.760 0.420 9.684 1.00 0.00 C ATOM 846 CZ PHE A 57 -0.398 -0.272 10.824 1.00 0.00 C ATOM 0 H PHE A 57 -0.903 6.450 11.001 1.00 0.00 H new ATOM 0 HA PHE A 57 -2.622 4.180 10.721 1.00 0.00 H new ATOM 0 HB2 PHE A 57 -0.276 4.374 9.844 1.00 0.00 H new ATOM 0 HB3 PHE A 57 0.317 4.376 11.493 1.00 0.00 H new ATOM 0 HD1 PHE A 57 0.171 2.338 12.877 1.00 0.00 H new ATOM 0 HD2 PHE A 57 -1.072 2.338 8.803 1.00 0.00 H new ATOM 0 HE1 PHE A 57 0.223 -0.118 12.863 1.00 0.00 H new ATOM 0 HE2 PHE A 57 -1.021 -0.118 8.785 1.00 0.00 H new ATOM 0 HZ PHE A 57 -0.378 -1.352 10.818 1.00 0.00 H new ATOM 856 N ASP A 58 -1.231 4.737 13.677 1.00 0.00 N ATOM 857 CA ASP A 58 -1.354 4.449 15.101 1.00 0.00 C ATOM 858 C ASP A 58 -2.814 4.499 15.541 1.00 0.00 C ATOM 859 O ASP A 58 -3.266 3.662 16.323 1.00 0.00 O ATOM 860 CB ASP A 58 -0.529 5.444 15.918 1.00 0.00 C ATOM 861 CG ASP A 58 0.938 5.432 15.535 1.00 0.00 C ATOM 862 OD1 ASP A 58 1.321 6.203 14.630 1.00 0.00 O ATOM 863 OD2 ASP A 58 1.703 4.651 16.139 1.00 0.00 O ATOM 0 H ASP A 58 -0.468 5.371 13.440 1.00 0.00 H new ATOM 0 HA ASP A 58 -0.974 3.443 15.277 1.00 0.00 H new ATOM 0 HB2 ASP A 58 -0.930 6.447 15.776 1.00 0.00 H new ATOM 0 HB3 ASP A 58 -0.627 5.209 16.978 1.00 0.00 H new ATOM 868 N SER A 59 -3.547 5.485 15.034 1.00 0.00 N ATOM 869 CA SER A 59 -4.954 5.647 15.378 1.00 0.00 C ATOM 870 C SER A 59 -5.785 4.493 14.825 1.00 0.00 C ATOM 871 O SER A 59 -6.586 3.890 15.540 1.00 0.00 O ATOM 872 CB SER A 59 -5.484 6.976 14.836 1.00 0.00 C ATOM 873 OG SER A 59 -4.999 8.067 15.600 1.00 0.00 O ATOM 0 H SER A 59 -3.189 6.184 14.383 1.00 0.00 H new ATOM 0 HA SER A 59 -5.039 5.646 16.465 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.183 7.094 13.795 1.00 0.00 H new ATOM 0 HB3 SER A 59 -6.574 6.971 14.854 1.00 0.00 H new ATOM 0 HG SER A 59 -5.350 8.905 15.233 1.00 0.00 H new ATOM 879 N LEU A 60 -5.588 4.190 13.546 1.00 0.00 N ATOM 880 CA LEU A 60 -6.318 3.108 12.895 1.00 0.00 C ATOM 881 C LEU A 60 -6.192 1.811 13.688 1.00 0.00 C ATOM 882 O LEU A 60 -5.239 1.626 14.445 1.00 0.00 O ATOM 883 CB LEU A 60 -5.799 2.901 11.471 1.00 0.00 C ATOM 884 CG LEU A 60 -6.106 4.020 10.475 1.00 0.00 C ATOM 885 CD1 LEU A 60 -5.304 3.832 9.197 1.00 0.00 C ATOM 886 CD2 LEU A 60 -7.596 4.069 10.170 1.00 0.00 C ATOM 0 H LEU A 60 -4.929 4.678 12.940 1.00 0.00 H new ATOM 0 HA LEU A 60 -7.371 3.386 12.855 1.00 0.00 H new ATOM 0 HB2 LEU A 60 -4.718 2.768 11.516 1.00 0.00 H new ATOM 0 HB3 LEU A 60 -6.219 1.972 11.084 1.00 0.00 H new ATOM 0 HG LEU A 60 -5.816 4.970 10.925 1.00 0.00 H new ATOM 0 HD11 LEU A 60 -5.536 4.638 8.500 1.00 0.00 H new ATOM 0 HD12 LEU A 60 -4.239 3.849 9.430 1.00 0.00 H new ATOM 0 HD13 LEU A 60 -5.561 2.875 8.743 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -7.796 4.871 9.460 1.00 0.00 H new ATOM 0 HD22 LEU A 60 -7.911 3.118 9.741 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -8.150 4.253 11.090 1.00 0.00 H new ATOM 898 N ASP A 61 -7.157 0.917 13.507 1.00 0.00 N ATOM 899 CA ASP A 61 -7.152 -0.365 14.203 1.00 0.00 C ATOM 900 C ASP A 61 -7.041 -1.520 13.213 1.00 0.00 C ATOM 901 O ASP A 61 -7.660 -1.501 12.150 1.00 0.00 O ATOM 902 CB ASP A 61 -8.421 -0.517 15.043 1.00 0.00 C ATOM 903 CG ASP A 61 -8.268 0.066 16.434 1.00 0.00 C ATOM 904 OD1 ASP A 61 -7.474 -0.485 17.224 1.00 0.00 O ATOM 905 OD2 ASP A 61 -8.942 1.074 16.733 1.00 0.00 O ATOM 0 H ASP A 61 -7.953 1.056 12.884 1.00 0.00 H new ATOM 0 HA ASP A 61 -6.284 -0.390 14.862 1.00 0.00 H new ATOM 0 HB2 ASP A 61 -9.250 -0.025 14.535 1.00 0.00 H new ATOM 0 HB3 ASP A 61 -8.677 -1.574 15.121 1.00 0.00 H new ATOM 910 N GLU A 62 -6.246 -2.524 13.570 1.00 0.00 N ATOM 911 CA GLU A 62 -6.052 -3.687 12.712 1.00 0.00 C ATOM 912 C GLU A 62 -7.388 -4.337 12.366 1.00 0.00 C ATOM 913 O GLU A 62 -7.585 -4.819 11.251 1.00 0.00 O ATOM 914 CB GLU A 62 -5.138 -4.706 13.395 1.00 0.00 C ATOM 915 CG GLU A 62 -5.640 -5.156 14.757 1.00 0.00 C ATOM 916 CD GLU A 62 -4.948 -6.413 15.248 1.00 0.00 C ATOM 917 OE1 GLU A 62 -3.721 -6.367 15.473 1.00 0.00 O ATOM 918 OE2 GLU A 62 -5.635 -7.444 15.406 1.00 0.00 O ATOM 0 H GLU A 62 -5.726 -2.555 14.447 1.00 0.00 H new ATOM 0 HA GLU A 62 -5.582 -3.350 11.788 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -5.033 -5.578 12.749 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -4.145 -4.272 13.508 1.00 0.00 H new ATOM 0 HG2 GLU A 62 -5.486 -4.355 15.480 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -6.714 -5.334 14.703 1.00 0.00 H new ATOM 925 N GLN A 63 -8.303 -4.346 13.331 1.00 0.00 N ATOM 926 CA GLN A 63 -9.620 -4.937 13.130 1.00 0.00 C ATOM 927 C GLN A 63 -10.337 -4.281 11.955 1.00 0.00 C ATOM 928 O GLN A 63 -10.905 -4.963 11.102 1.00 0.00 O ATOM 929 CB GLN A 63 -10.463 -4.800 14.398 1.00 0.00 C ATOM 930 CG GLN A 63 -9.835 -5.450 15.620 1.00 0.00 C ATOM 931 CD GLN A 63 -10.020 -6.954 15.642 1.00 0.00 C ATOM 932 OE1 GLN A 63 -10.915 -7.472 16.311 1.00 0.00 O ATOM 933 NE2 GLN A 63 -9.173 -7.666 14.907 1.00 0.00 N ATOM 0 H GLN A 63 -8.156 -3.950 14.260 1.00 0.00 H new ATOM 0 HA GLN A 63 -9.485 -5.995 12.905 1.00 0.00 H new ATOM 0 HB2 GLN A 63 -10.626 -3.742 14.603 1.00 0.00 H new ATOM 0 HB3 GLN A 63 -11.442 -5.245 14.223 1.00 0.00 H new ATOM 0 HG2 GLN A 63 -8.770 -5.219 15.643 1.00 0.00 H new ATOM 0 HG3 GLN A 63 -10.274 -5.021 16.521 1.00 0.00 H new ATOM 0 HE21 GLN A 63 -8.446 -7.196 14.368 1.00 0.00 H new ATOM 0 HE22 GLN A 63 -9.250 -8.683 14.882 1.00 0.00 H new ATOM 942 N ASN A 64 -10.307 -2.953 11.916 1.00 0.00 N ATOM 943 CA ASN A 64 -10.956 -2.204 10.846 1.00 0.00 C ATOM 944 C ASN A 64 -10.262 -2.454 9.510 1.00 0.00 C ATOM 945 O ASN A 64 -9.114 -2.057 9.310 1.00 0.00 O ATOM 946 CB ASN A 64 -10.949 -0.708 11.165 1.00 0.00 C ATOM 947 CG ASN A 64 -11.552 -0.404 12.522 1.00 0.00 C ATOM 948 OD1 ASN A 64 -10.992 0.586 13.210 1.00 0.00 O flip ATOM 949 ND2 ASN A 64 -12.509 -1.050 12.948 1.00 0.00 N flip ATOM 0 H ASN A 64 -9.840 -2.373 12.613 1.00 0.00 H new ATOM 0 HA ASN A 64 -11.988 -2.547 10.770 1.00 0.00 H new ATOM 0 HB2 ASN A 64 -9.924 -0.338 11.134 1.00 0.00 H new ATOM 0 HB3 ASN A 64 -11.505 -0.172 10.395 1.00 0.00 H new ATOM 0 HD21 ASN A 64 -12.908 -1.802 12.386 1.00 0.00 H new ATOM 0 HD22 ASN A 64 -12.904 -0.833 13.863 1.00 0.00 H new ATOM 956 N VAL A 65 -10.968 -3.115 8.597 1.00 0.00 N ATOM 957 CA VAL A 65 -10.421 -3.417 7.280 1.00 0.00 C ATOM 958 C VAL A 65 -10.951 -2.446 6.230 1.00 0.00 C ATOM 959 O VAL A 65 -10.189 -1.687 5.632 1.00 0.00 O ATOM 960 CB VAL A 65 -10.758 -4.856 6.849 1.00 0.00 C ATOM 961 CG1 VAL A 65 -10.215 -5.138 5.456 1.00 0.00 C ATOM 962 CG2 VAL A 65 -10.210 -5.856 7.856 1.00 0.00 C ATOM 0 H VAL A 65 -11.919 -3.451 8.746 1.00 0.00 H new ATOM 0 HA VAL A 65 -9.339 -3.313 7.355 1.00 0.00 H new ATOM 0 HB VAL A 65 -11.842 -4.963 6.819 1.00 0.00 H new ATOM 0 HG11 VAL A 65 -10.463 -6.160 5.169 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -10.660 -4.443 4.744 1.00 0.00 H new ATOM 0 HG13 VAL A 65 -9.132 -5.014 5.456 1.00 0.00 H new ATOM 0 HG21 VAL A 65 -10.457 -6.868 7.535 1.00 0.00 H new ATOM 0 HG22 VAL A 65 -9.127 -5.751 7.921 1.00 0.00 H new ATOM 0 HG23 VAL A 65 -10.652 -5.667 8.834 1.00 0.00 H new ATOM 972 N GLU A 66 -12.262 -2.477 6.012 1.00 0.00 N ATOM 973 CA GLU A 66 -12.893 -1.599 5.033 1.00 0.00 C ATOM 974 C GLU A 66 -12.579 -0.136 5.332 1.00 0.00 C ATOM 975 O GLU A 66 -12.364 0.664 4.421 1.00 0.00 O ATOM 976 CB GLU A 66 -14.408 -1.816 5.023 1.00 0.00 C ATOM 977 CG GLU A 66 -15.161 -0.810 4.168 1.00 0.00 C ATOM 978 CD GLU A 66 -16.655 -1.067 4.146 1.00 0.00 C ATOM 979 OE1 GLU A 66 -17.055 -2.249 4.172 1.00 0.00 O ATOM 980 OE2 GLU A 66 -17.425 -0.084 4.103 1.00 0.00 O ATOM 0 H GLU A 66 -12.907 -3.099 6.499 1.00 0.00 H new ATOM 0 HA GLU A 66 -12.491 -1.845 4.050 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -14.620 -2.821 4.658 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -14.781 -1.762 6.046 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -14.974 0.195 4.547 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -14.775 -0.844 3.149 1.00 0.00 H new ATOM 987 N LYS A 67 -12.556 0.207 6.615 1.00 0.00 N ATOM 988 CA LYS A 67 -12.268 1.573 7.037 1.00 0.00 C ATOM 989 C LYS A 67 -10.875 2.000 6.584 1.00 0.00 C ATOM 990 O LYS A 67 -10.727 2.939 5.803 1.00 0.00 O ATOM 991 CB LYS A 67 -12.380 1.694 8.558 1.00 0.00 C ATOM 992 CG LYS A 67 -12.482 3.127 9.049 1.00 0.00 C ATOM 993 CD LYS A 67 -13.223 3.213 10.373 1.00 0.00 C ATOM 994 CE LYS A 67 -13.601 4.647 10.709 1.00 0.00 C ATOM 995 NZ LYS A 67 -13.861 4.826 12.164 1.00 0.00 N ATOM 0 H LYS A 67 -12.733 -0.442 7.381 1.00 0.00 H new ATOM 0 HA LYS A 67 -13.001 2.232 6.572 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -13.257 1.140 8.894 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -11.510 1.223 9.016 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -11.482 3.545 9.163 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -12.997 3.732 8.303 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -14.123 2.600 10.328 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -12.599 2.805 11.168 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -12.799 5.316 10.399 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -14.489 4.930 10.144 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -14.115 5.817 12.352 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -14.644 4.206 12.456 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -13.006 4.580 12.702 1.00 0.00 H new ATOM 1009 N ASN A 68 -9.857 1.304 7.079 1.00 0.00 N ATOM 1010 CA ASN A 68 -8.477 1.611 6.724 1.00 0.00 C ATOM 1011 C ASN A 68 -8.347 1.882 5.228 1.00 0.00 C ATOM 1012 O ASN A 68 -7.691 2.838 4.815 1.00 0.00 O ATOM 1013 CB ASN A 68 -7.556 0.457 7.126 1.00 0.00 C ATOM 1014 CG ASN A 68 -7.081 0.570 8.562 1.00 0.00 C ATOM 1015 OD1 ASN A 68 -5.978 1.049 8.826 1.00 0.00 O ATOM 1016 ND2 ASN A 68 -7.913 0.127 9.497 1.00 0.00 N ATOM 0 H ASN A 68 -9.962 0.524 7.727 1.00 0.00 H new ATOM 0 HA ASN A 68 -8.181 2.510 7.265 1.00 0.00 H new ATOM 0 HB2 ASN A 68 -8.083 -0.488 6.994 1.00 0.00 H new ATOM 0 HB3 ASN A 68 -6.693 0.436 6.461 1.00 0.00 H new ATOM 0 HD21 ASN A 68 -7.648 0.176 10.481 1.00 0.00 H new ATOM 0 HD22 ASN A 68 -8.818 -0.262 9.232 1.00 0.00 H new ATOM 1023 N ASN A 69 -8.977 1.034 4.422 1.00 0.00 N ATOM 1024 CA ASN A 69 -8.932 1.183 2.972 1.00 0.00 C ATOM 1025 C ASN A 69 -9.698 2.426 2.528 1.00 0.00 C ATOM 1026 O ASN A 69 -9.131 3.328 1.913 1.00 0.00 O ATOM 1027 CB ASN A 69 -9.516 -0.058 2.293 1.00 0.00 C ATOM 1028 CG ASN A 69 -8.613 -1.269 2.428 1.00 0.00 C ATOM 1029 OD1 ASN A 69 -7.531 -1.319 1.843 1.00 0.00 O ATOM 1030 ND2 ASN A 69 -9.056 -2.254 3.202 1.00 0.00 N ATOM 0 H ASN A 69 -9.524 0.237 4.748 1.00 0.00 H new ATOM 0 HA ASN A 69 -7.889 1.295 2.676 1.00 0.00 H new ATOM 0 HB2 ASN A 69 -10.489 -0.283 2.729 1.00 0.00 H new ATOM 0 HB3 ASN A 69 -9.681 0.153 1.236 1.00 0.00 H new ATOM 0 HD21 ASN A 69 -8.493 -3.095 3.330 1.00 0.00 H new ATOM 0 HD22 ASN A 69 -9.959 -2.170 3.668 1.00 0.00 H new ATOM 1037 N GLN A 70 -10.988 2.465 2.846 1.00 0.00 N ATOM 1038 CA GLN A 70 -11.830 3.597 2.480 1.00 0.00 C ATOM 1039 C GLN A 70 -11.115 4.917 2.748 1.00 0.00 C ATOM 1040 O GLN A 70 -11.097 5.809 1.899 1.00 0.00 O ATOM 1041 CB GLN A 70 -13.148 3.551 3.255 1.00 0.00 C ATOM 1042 CG GLN A 70 -14.109 4.670 2.888 1.00 0.00 C ATOM 1043 CD GLN A 70 -14.748 4.469 1.528 1.00 0.00 C ATOM 1044 OE1 GLN A 70 -13.995 4.753 0.472 1.00 0.00 O flip ATOM 1045 NE2 GLN A 70 -15.906 4.063 1.428 1.00 0.00 N flip ATOM 0 H GLN A 70 -11.472 1.726 3.356 1.00 0.00 H new ATOM 0 HA GLN A 70 -12.041 3.530 1.413 1.00 0.00 H new ATOM 0 HB2 GLN A 70 -13.633 2.592 3.073 1.00 0.00 H new ATOM 0 HB3 GLN A 70 -12.934 3.603 4.323 1.00 0.00 H new ATOM 0 HG2 GLN A 70 -14.890 4.736 3.646 1.00 0.00 H new ATOM 0 HG3 GLN A 70 -13.575 5.620 2.897 1.00 0.00 H new ATOM 0 HE21 GLN A 70 -16.448 3.857 2.267 1.00 0.00 H new ATOM 0 HE22 GLN A 70 -16.323 3.933 0.506 1.00 0.00 H new ATOM 1054 N LEU A 71 -10.527 5.035 3.933 1.00 0.00 N ATOM 1055 CA LEU A 71 -9.810 6.247 4.314 1.00 0.00 C ATOM 1056 C LEU A 71 -8.664 6.528 3.348 1.00 0.00 C ATOM 1057 O LEU A 71 -8.703 7.495 2.588 1.00 0.00 O ATOM 1058 CB LEU A 71 -9.270 6.117 5.740 1.00 0.00 C ATOM 1059 CG LEU A 71 -8.562 7.349 6.304 1.00 0.00 C ATOM 1060 CD1 LEU A 71 -9.557 8.475 6.540 1.00 0.00 C ATOM 1061 CD2 LEU A 71 -7.833 7.001 7.594 1.00 0.00 C ATOM 0 H LEU A 71 -10.532 4.306 4.647 1.00 0.00 H new ATOM 0 HA LEU A 71 -10.510 7.082 4.272 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -10.100 5.866 6.400 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -8.575 5.278 5.769 1.00 0.00 H new ATOM 0 HG LEU A 71 -7.827 7.688 5.574 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -9.035 9.344 6.942 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -10.034 8.742 5.597 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -10.316 8.147 7.251 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -7.335 7.890 7.981 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -8.550 6.637 8.330 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -7.092 6.227 7.396 1.00 0.00 H new ATOM 1073 N ALA A 72 -7.646 5.675 3.382 1.00 0.00 N ATOM 1074 CA ALA A 72 -6.490 5.829 2.506 1.00 0.00 C ATOM 1075 C ALA A 72 -6.923 6.113 1.072 1.00 0.00 C ATOM 1076 O ALA A 72 -6.530 7.119 0.482 1.00 0.00 O ATOM 1077 CB ALA A 72 -5.618 4.584 2.560 1.00 0.00 C ATOM 0 H ALA A 72 -7.598 4.870 4.006 1.00 0.00 H new ATOM 0 HA ALA A 72 -5.909 6.681 2.858 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -4.759 4.713 1.902 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -5.272 4.426 3.581 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -6.197 3.720 2.236 1.00 0.00 H new ATOM 1083 N PHE A 73 -7.734 5.219 0.515 1.00 0.00 N ATOM 1084 CA PHE A 73 -8.218 5.372 -0.852 1.00 0.00 C ATOM 1085 C PHE A 73 -8.667 6.808 -1.112 1.00 0.00 C ATOM 1086 O PHE A 73 -8.511 7.328 -2.217 1.00 0.00 O ATOM 1087 CB PHE A 73 -9.377 4.409 -1.116 1.00 0.00 C ATOM 1088 CG PHE A 73 -8.932 3.019 -1.471 1.00 0.00 C ATOM 1089 CD1 PHE A 73 -7.927 2.816 -2.403 1.00 0.00 C ATOM 1090 CD2 PHE A 73 -9.518 1.915 -0.872 1.00 0.00 C ATOM 1091 CE1 PHE A 73 -7.516 1.538 -2.732 1.00 0.00 C ATOM 1092 CE2 PHE A 73 -9.111 0.635 -1.197 1.00 0.00 C ATOM 1093 CZ PHE A 73 -8.108 0.447 -2.128 1.00 0.00 C ATOM 0 H PHE A 73 -8.070 4.381 0.990 1.00 0.00 H new ATOM 0 HA PHE A 73 -7.397 5.137 -1.530 1.00 0.00 H new ATOM 0 HB2 PHE A 73 -10.011 4.364 -0.230 1.00 0.00 H new ATOM 0 HB3 PHE A 73 -9.990 4.804 -1.926 1.00 0.00 H new ATOM 0 HD1 PHE A 73 -7.460 3.666 -2.878 1.00 0.00 H new ATOM 0 HD2 PHE A 73 -10.302 2.057 -0.143 1.00 0.00 H new ATOM 0 HE1 PHE A 73 -6.732 1.393 -3.461 1.00 0.00 H new ATOM 0 HE2 PHE A 73 -9.576 -0.217 -0.724 1.00 0.00 H new ATOM 0 HZ PHE A 73 -7.787 -0.552 -2.383 1.00 0.00 H new ATOM 1103 N ASP A 74 -9.224 7.442 -0.086 1.00 0.00 N ATOM 1104 CA ASP A 74 -9.695 8.817 -0.202 1.00 0.00 C ATOM 1105 C ASP A 74 -8.555 9.803 0.034 1.00 0.00 C ATOM 1106 O ASP A 74 -8.214 10.595 -0.845 1.00 0.00 O ATOM 1107 CB ASP A 74 -10.826 9.077 0.794 1.00 0.00 C ATOM 1108 CG ASP A 74 -11.794 10.137 0.306 1.00 0.00 C ATOM 1109 OD1 ASP A 74 -12.510 9.877 -0.684 1.00 0.00 O ATOM 1110 OD2 ASP A 74 -11.837 11.226 0.915 1.00 0.00 O ATOM 0 H ASP A 74 -9.360 7.026 0.835 1.00 0.00 H new ATOM 0 HA ASP A 74 -10.073 8.962 -1.214 1.00 0.00 H new ATOM 0 HB2 ASP A 74 -11.368 8.149 0.974 1.00 0.00 H new ATOM 0 HB3 ASP A 74 -10.401 9.388 1.748 1.00 0.00 H new ATOM 1115 N ILE A 75 -7.972 9.751 1.227 1.00 0.00 N ATOM 1116 CA ILE A 75 -6.871 10.639 1.579 1.00 0.00 C ATOM 1117 C ILE A 75 -5.819 10.674 0.475 1.00 0.00 C ATOM 1118 O ILE A 75 -5.460 11.742 -0.020 1.00 0.00 O ATOM 1119 CB ILE A 75 -6.202 10.211 2.898 1.00 0.00 C ATOM 1120 CG1 ILE A 75 -7.215 10.242 4.043 1.00 0.00 C ATOM 1121 CG2 ILE A 75 -5.017 11.113 3.207 1.00 0.00 C ATOM 1122 CD1 ILE A 75 -7.822 11.608 4.277 1.00 0.00 C ATOM 0 H ILE A 75 -8.244 9.103 1.966 1.00 0.00 H new ATOM 0 HA ILE A 75 -7.296 11.635 1.704 1.00 0.00 H new ATOM 0 HB ILE A 75 -5.838 9.190 2.789 1.00 0.00 H new ATOM 0 HG12 ILE A 75 -8.013 9.530 3.831 1.00 0.00 H new ATOM 0 HG13 ILE A 75 -6.726 9.909 4.959 1.00 0.00 H new ATOM 0 HG21 ILE A 75 -4.554 10.798 4.142 1.00 0.00 H new ATOM 0 HG22 ILE A 75 -4.287 11.044 2.400 1.00 0.00 H new ATOM 0 HG23 ILE A 75 -5.359 12.144 3.300 1.00 0.00 H new ATOM 0 HD11 ILE A 75 -8.531 11.554 5.103 1.00 0.00 H new ATOM 0 HD12 ILE A 75 -7.033 12.320 4.521 1.00 0.00 H new ATOM 0 HD13 ILE A 75 -8.340 11.935 3.375 1.00 0.00 H new ATOM 1134 N ALA A 76 -5.330 9.499 0.094 1.00 0.00 N ATOM 1135 CA ALA A 76 -4.322 9.394 -0.954 1.00 0.00 C ATOM 1136 C ALA A 76 -4.634 10.337 -2.112 1.00 0.00 C ATOM 1137 O ALA A 76 -3.925 11.317 -2.334 1.00 0.00 O ATOM 1138 CB ALA A 76 -4.224 7.960 -1.450 1.00 0.00 C ATOM 0 H ALA A 76 -5.616 8.606 0.495 1.00 0.00 H new ATOM 0 HA ALA A 76 -3.361 9.686 -0.531 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -3.468 7.896 -2.232 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -3.946 7.307 -0.623 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -5.188 7.647 -1.851 1.00 0.00 H new ATOM 1144 N GLU A 77 -5.699 10.031 -2.846 1.00 0.00 N ATOM 1145 CA GLU A 77 -6.103 10.852 -3.982 1.00 0.00 C ATOM 1146 C GLU A 77 -6.338 12.297 -3.554 1.00 0.00 C ATOM 1147 O GLU A 77 -5.972 13.235 -4.263 1.00 0.00 O ATOM 1148 CB GLU A 77 -7.372 10.286 -4.623 1.00 0.00 C ATOM 1149 CG GLU A 77 -7.844 11.070 -5.836 1.00 0.00 C ATOM 1150 CD GLU A 77 -9.349 11.016 -6.016 1.00 0.00 C ATOM 1151 OE1 GLU A 77 -9.974 10.068 -5.497 1.00 0.00 O ATOM 1152 OE2 GLU A 77 -9.900 11.921 -6.676 1.00 0.00 O ATOM 0 H GLU A 77 -6.297 9.222 -2.675 1.00 0.00 H new ATOM 0 HA GLU A 77 -5.296 10.835 -4.714 1.00 0.00 H new ATOM 0 HB2 GLU A 77 -7.190 9.252 -4.917 1.00 0.00 H new ATOM 0 HB3 GLU A 77 -8.168 10.270 -3.879 1.00 0.00 H new ATOM 0 HG2 GLU A 77 -7.531 12.109 -5.737 1.00 0.00 H new ATOM 0 HG3 GLU A 77 -7.361 10.675 -6.730 1.00 0.00 H new ATOM 1159 N LYS A 78 -6.951 12.470 -2.388 1.00 0.00 N ATOM 1160 CA LYS A 78 -7.236 13.800 -1.863 1.00 0.00 C ATOM 1161 C LYS A 78 -5.982 14.670 -1.876 1.00 0.00 C ATOM 1162 O LYS A 78 -6.005 15.799 -2.364 1.00 0.00 O ATOM 1163 CB LYS A 78 -7.786 13.702 -0.438 1.00 0.00 C ATOM 1164 CG LYS A 78 -9.300 13.596 -0.376 1.00 0.00 C ATOM 1165 CD LYS A 78 -9.961 14.949 -0.581 1.00 0.00 C ATOM 1166 CE LYS A 78 -11.286 15.039 0.160 1.00 0.00 C ATOM 1167 NZ LYS A 78 -11.108 15.519 1.559 1.00 0.00 N ATOM 0 H LYS A 78 -7.260 11.705 -1.788 1.00 0.00 H new ATOM 0 HA LYS A 78 -7.986 14.263 -2.504 1.00 0.00 H new ATOM 0 HB2 LYS A 78 -7.349 12.832 0.052 1.00 0.00 H new ATOM 0 HB3 LYS A 78 -7.468 14.579 0.126 1.00 0.00 H new ATOM 0 HG2 LYS A 78 -9.649 12.900 -1.139 1.00 0.00 H new ATOM 0 HG3 LYS A 78 -9.598 13.187 0.589 1.00 0.00 H new ATOM 0 HD2 LYS A 78 -9.294 15.738 -0.233 1.00 0.00 H new ATOM 0 HD3 LYS A 78 -10.126 15.117 -1.645 1.00 0.00 H new ATOM 0 HE2 LYS A 78 -11.955 15.714 -0.373 1.00 0.00 H new ATOM 0 HE3 LYS A 78 -11.764 14.059 0.170 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 -12.034 15.567 2.030 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 -10.490 14.861 2.076 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 -10.676 16.465 1.549 1.00 0.00 H new ATOM 1181 N GLU A 79 -4.891 14.135 -1.337 1.00 0.00 N ATOM 1182 CA GLU A 79 -3.628 14.863 -1.288 1.00 0.00 C ATOM 1183 C GLU A 79 -2.640 14.308 -2.310 1.00 0.00 C ATOM 1184 O GLU A 79 -2.259 14.995 -3.259 1.00 0.00 O ATOM 1185 CB GLU A 79 -3.024 14.787 0.115 1.00 0.00 C ATOM 1186 CG GLU A 79 -3.945 15.312 1.204 1.00 0.00 C ATOM 1187 CD GLU A 79 -3.805 16.807 1.416 1.00 0.00 C ATOM 1188 OE1 GLU A 79 -2.666 17.270 1.640 1.00 0.00 O ATOM 1189 OE2 GLU A 79 -4.832 17.515 1.358 1.00 0.00 O ATOM 0 H GLU A 79 -4.856 13.201 -0.928 1.00 0.00 H new ATOM 0 HA GLU A 79 -3.830 15.906 -1.533 1.00 0.00 H new ATOM 0 HB2 GLU A 79 -2.768 13.751 0.336 1.00 0.00 H new ATOM 0 HB3 GLU A 79 -2.094 15.355 0.132 1.00 0.00 H new ATOM 0 HG2 GLU A 79 -4.978 15.081 0.944 1.00 0.00 H new ATOM 0 HG3 GLU A 79 -3.728 14.794 2.139 1.00 0.00 H new ATOM 1196 N LEU A 80 -2.228 13.062 -2.109 1.00 0.00 N ATOM 1197 CA LEU A 80 -1.284 12.413 -3.012 1.00 0.00 C ATOM 1198 C LEU A 80 -1.758 12.510 -4.458 1.00 0.00 C ATOM 1199 O LEU A 80 -0.963 12.737 -5.369 1.00 0.00 O ATOM 1200 CB LEU A 80 -1.100 10.945 -2.621 1.00 0.00 C ATOM 1201 CG LEU A 80 -0.827 10.674 -1.141 1.00 0.00 C ATOM 1202 CD1 LEU A 80 -0.709 9.179 -0.886 1.00 0.00 C ATOM 1203 CD2 LEU A 80 0.436 11.395 -0.691 1.00 0.00 C ATOM 0 H LEU A 80 -2.533 12.480 -1.329 1.00 0.00 H new ATOM 0 HA LEU A 80 -0.327 12.928 -2.928 1.00 0.00 H new ATOM 0 HB2 LEU A 80 -1.997 10.397 -2.911 1.00 0.00 H new ATOM 0 HB3 LEU A 80 -0.275 10.535 -3.203 1.00 0.00 H new ATOM 0 HG LEU A 80 -1.666 11.056 -0.560 1.00 0.00 H new ATOM 0 HD11 LEU A 80 -0.515 9.005 0.172 1.00 0.00 H new ATOM 0 HD12 LEU A 80 -1.639 8.687 -1.170 1.00 0.00 H new ATOM 0 HD13 LEU A 80 0.112 8.773 -1.477 1.00 0.00 H new ATOM 0 HD21 LEU A 80 0.615 11.191 0.365 1.00 0.00 H new ATOM 0 HD22 LEU A 80 1.285 11.043 -1.278 1.00 0.00 H new ATOM 0 HD23 LEU A 80 0.314 12.468 -0.837 1.00 0.00 H new ATOM 1215 N GLY A 81 -3.061 12.339 -4.661 1.00 0.00 N ATOM 1216 CA GLY A 81 -3.619 12.413 -5.999 1.00 0.00 C ATOM 1217 C GLY A 81 -3.907 11.045 -6.584 1.00 0.00 C ATOM 1218 O GLY A 81 -4.688 10.918 -7.527 1.00 0.00 O ATOM 0 H GLY A 81 -3.740 12.151 -3.923 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -4.540 12.995 -5.973 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -2.925 12.944 -6.650 1.00 0.00 H new ATOM 1222 N ILE A 82 -3.273 10.019 -6.025 1.00 0.00 N ATOM 1223 CA ILE A 82 -3.464 8.654 -6.499 1.00 0.00 C ATOM 1224 C ILE A 82 -4.920 8.222 -6.357 1.00 0.00 C ATOM 1225 O ILE A 82 -5.368 7.861 -5.269 1.00 0.00 O ATOM 1226 CB ILE A 82 -2.569 7.662 -5.733 1.00 0.00 C ATOM 1227 CG1 ILE A 82 -1.098 8.056 -5.872 1.00 0.00 C ATOM 1228 CG2 ILE A 82 -2.794 6.245 -6.240 1.00 0.00 C ATOM 1229 CD1 ILE A 82 -0.179 7.305 -4.934 1.00 0.00 C ATOM 0 H ILE A 82 -2.623 10.107 -5.244 1.00 0.00 H new ATOM 0 HA ILE A 82 -3.185 8.643 -7.553 1.00 0.00 H new ATOM 0 HB ILE A 82 -2.836 7.696 -4.677 1.00 0.00 H new ATOM 0 HG12 ILE A 82 -0.779 7.879 -6.899 1.00 0.00 H new ATOM 0 HG13 ILE A 82 -0.998 9.125 -5.687 1.00 0.00 H new ATOM 0 HG21 ILE A 82 -2.154 5.556 -5.689 1.00 0.00 H new ATOM 0 HG22 ILE A 82 -3.838 5.968 -6.093 1.00 0.00 H new ATOM 0 HG23 ILE A 82 -2.551 6.195 -7.301 1.00 0.00 H new ATOM 0 HD11 ILE A 82 0.848 7.636 -5.088 1.00 0.00 H new ATOM 0 HD12 ILE A 82 -0.472 7.501 -3.903 1.00 0.00 H new ATOM 0 HD13 ILE A 82 -0.250 6.236 -5.134 1.00 0.00 H new ATOM 1241 N SER A 83 -5.653 8.261 -7.465 1.00 0.00 N ATOM 1242 CA SER A 83 -7.060 7.876 -7.464 1.00 0.00 C ATOM 1243 C SER A 83 -7.220 6.404 -7.095 1.00 0.00 C ATOM 1244 O SER A 83 -6.538 5.527 -7.625 1.00 0.00 O ATOM 1245 CB SER A 83 -7.683 8.139 -8.836 1.00 0.00 C ATOM 1246 OG SER A 83 -8.907 7.440 -8.983 1.00 0.00 O ATOM 0 H SER A 83 -5.297 8.555 -8.374 1.00 0.00 H new ATOM 0 HA SER A 83 -7.576 8.479 -6.716 1.00 0.00 H new ATOM 0 HB2 SER A 83 -7.854 9.208 -8.962 1.00 0.00 H new ATOM 0 HB3 SER A 83 -6.989 7.832 -9.619 1.00 0.00 H new ATOM 0 HG SER A 83 -9.286 7.626 -9.868 1.00 0.00 H new ATOM 1252 N PRO A 84 -8.143 6.126 -6.162 1.00 0.00 N ATOM 1253 CA PRO A 84 -8.415 4.762 -5.700 1.00 0.00 C ATOM 1254 C PRO A 84 -9.097 3.913 -6.768 1.00 0.00 C ATOM 1255 O PRO A 84 -10.119 4.308 -7.329 1.00 0.00 O ATOM 1256 CB PRO A 84 -9.351 4.972 -4.507 1.00 0.00 C ATOM 1257 CG PRO A 84 -10.011 6.281 -4.769 1.00 0.00 C ATOM 1258 CD PRO A 84 -8.992 7.122 -5.488 1.00 0.00 C ATOM 0 HA PRO A 84 -7.499 4.226 -5.452 1.00 0.00 H new ATOM 0 HB2 PRO A 84 -10.083 4.168 -4.432 1.00 0.00 H new ATOM 0 HB3 PRO A 84 -8.798 4.989 -3.568 1.00 0.00 H new ATOM 0 HG2 PRO A 84 -10.908 6.152 -5.375 1.00 0.00 H new ATOM 0 HG3 PRO A 84 -10.321 6.755 -3.838 1.00 0.00 H new ATOM 0 HD2 PRO A 84 -9.461 7.799 -6.202 1.00 0.00 H new ATOM 0 HD3 PRO A 84 -8.418 7.737 -4.795 1.00 0.00 H new ATOM 1266 N ILE A 85 -8.524 2.746 -7.044 1.00 0.00 N ATOM 1267 CA ILE A 85 -9.078 1.842 -8.044 1.00 0.00 C ATOM 1268 C ILE A 85 -10.438 1.306 -7.608 1.00 0.00 C ATOM 1269 O ILE A 85 -11.301 1.025 -8.439 1.00 0.00 O ATOM 1270 CB ILE A 85 -8.135 0.655 -8.314 1.00 0.00 C ATOM 1271 CG1 ILE A 85 -7.865 -0.115 -7.020 1.00 0.00 C ATOM 1272 CG2 ILE A 85 -6.831 1.144 -8.927 1.00 0.00 C ATOM 1273 CD1 ILE A 85 -7.290 -1.496 -7.246 1.00 0.00 C ATOM 0 H ILE A 85 -7.677 2.405 -6.589 1.00 0.00 H new ATOM 0 HA ILE A 85 -9.194 2.420 -8.961 1.00 0.00 H new ATOM 0 HB ILE A 85 -8.617 -0.019 -9.022 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -7.175 0.460 -6.402 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -8.796 -0.205 -6.460 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -6.175 0.294 -9.112 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -7.040 1.653 -9.868 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -6.343 1.836 -8.241 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -7.124 -1.983 -6.285 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -7.988 -2.088 -7.837 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -6.343 -1.413 -7.779 1.00 0.00 H new ATOM 1285 N MET A 86 -10.622 1.170 -6.299 1.00 0.00 N ATOM 1286 CA MET A 86 -11.879 0.672 -5.752 1.00 0.00 C ATOM 1287 C MET A 86 -12.111 1.212 -4.344 1.00 0.00 C ATOM 1288 O MET A 86 -11.173 1.631 -3.665 1.00 0.00 O ATOM 1289 CB MET A 86 -11.879 -0.858 -5.730 1.00 0.00 C ATOM 1290 CG MET A 86 -10.884 -1.452 -4.746 1.00 0.00 C ATOM 1291 SD MET A 86 -10.915 -3.255 -4.731 1.00 0.00 S ATOM 1292 CE MET A 86 -9.359 -3.627 -5.537 1.00 0.00 C ATOM 0 H MET A 86 -9.917 1.397 -5.598 1.00 0.00 H new ATOM 0 HA MET A 86 -12.689 1.019 -6.393 1.00 0.00 H new ATOM 0 HB2 MET A 86 -12.880 -1.210 -5.479 1.00 0.00 H new ATOM 0 HB3 MET A 86 -11.653 -1.228 -6.730 1.00 0.00 H new ATOM 0 HG2 MET A 86 -9.880 -1.112 -5.000 1.00 0.00 H new ATOM 0 HG3 MET A 86 -11.103 -1.080 -3.745 1.00 0.00 H new ATOM 0 HE1 MET A 86 -9.199 -4.705 -5.540 1.00 0.00 H new ATOM 0 HE2 MET A 86 -9.384 -3.261 -6.564 1.00 0.00 H new ATOM 0 HE3 MET A 86 -8.545 -3.141 -4.999 1.00 0.00 H new ATOM 1302 N THR A 87 -13.368 1.200 -3.911 1.00 0.00 N ATOM 1303 CA THR A 87 -13.724 1.690 -2.585 1.00 0.00 C ATOM 1304 C THR A 87 -13.445 0.639 -1.517 1.00 0.00 C ATOM 1305 O THR A 87 -13.499 -0.561 -1.784 1.00 0.00 O ATOM 1306 CB THR A 87 -15.209 2.095 -2.515 1.00 0.00 C ATOM 1307 OG1 THR A 87 -16.038 0.971 -2.832 1.00 0.00 O ATOM 1308 CG2 THR A 87 -15.504 3.236 -3.477 1.00 0.00 C ATOM 0 H THR A 87 -14.156 0.856 -4.459 1.00 0.00 H new ATOM 0 HA THR A 87 -13.106 2.568 -2.397 1.00 0.00 H new ATOM 0 HB THR A 87 -15.424 2.431 -1.501 1.00 0.00 H new ATOM 0 HG1 THR A 87 -16.036 0.826 -3.801 1.00 0.00 H new ATOM 0 HG21 THR A 87 -16.558 3.505 -3.410 1.00 0.00 H new ATOM 0 HG22 THR A 87 -14.892 4.099 -3.216 1.00 0.00 H new ATOM 0 HG23 THR A 87 -15.273 2.922 -4.495 1.00 0.00 H new ATOM 1316 N GLY A 88 -13.147 1.097 -0.305 1.00 0.00 N ATOM 1317 CA GLY A 88 -12.865 0.182 0.785 1.00 0.00 C ATOM 1318 C GLY A 88 -13.902 -0.916 0.904 1.00 0.00 C ATOM 1319 O GLY A 88 -13.562 -2.086 1.083 1.00 0.00 O ATOM 0 H GLY A 88 -13.096 2.086 -0.059 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -11.883 -0.265 0.634 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -12.822 0.739 1.721 1.00 0.00 H new ATOM 1323 N LYS A 89 -15.173 -0.541 0.805 1.00 0.00 N ATOM 1324 CA LYS A 89 -16.265 -1.502 0.903 1.00 0.00 C ATOM 1325 C LYS A 89 -16.049 -2.670 -0.054 1.00 0.00 C ATOM 1326 O LYS A 89 -15.991 -3.825 0.366 1.00 0.00 O ATOM 1327 CB LYS A 89 -17.601 -0.820 0.598 1.00 0.00 C ATOM 1328 CG LYS A 89 -18.806 -1.581 1.122 1.00 0.00 C ATOM 1329 CD LYS A 89 -19.165 -2.748 0.218 1.00 0.00 C ATOM 1330 CE LYS A 89 -20.473 -3.400 0.640 1.00 0.00 C ATOM 1331 NZ LYS A 89 -21.655 -2.665 0.111 1.00 0.00 N ATOM 0 H LYS A 89 -15.472 0.423 0.657 1.00 0.00 H new ATOM 0 HA LYS A 89 -16.285 -1.888 1.922 1.00 0.00 H new ATOM 0 HB2 LYS A 89 -17.596 0.180 1.032 1.00 0.00 H new ATOM 0 HB3 LYS A 89 -17.699 -0.699 -0.481 1.00 0.00 H new ATOM 0 HG2 LYS A 89 -18.596 -1.949 2.126 1.00 0.00 H new ATOM 0 HG3 LYS A 89 -19.658 -0.905 1.201 1.00 0.00 H new ATOM 0 HD2 LYS A 89 -19.247 -2.400 -0.812 1.00 0.00 H new ATOM 0 HD3 LYS A 89 -18.365 -3.487 0.242 1.00 0.00 H new ATOM 0 HE2 LYS A 89 -20.497 -4.430 0.284 1.00 0.00 H new ATOM 0 HE3 LYS A 89 -20.526 -3.437 1.728 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 -22.527 -3.141 0.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 -21.647 -1.689 0.471 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 -21.619 -2.651 -0.928 1.00 0.00 H new ATOM 1345 N GLU A 90 -15.931 -2.361 -1.342 1.00 0.00 N ATOM 1346 CA GLU A 90 -15.720 -3.386 -2.357 1.00 0.00 C ATOM 1347 C GLU A 90 -14.501 -4.241 -2.023 1.00 0.00 C ATOM 1348 O GLU A 90 -14.523 -5.461 -2.181 1.00 0.00 O ATOM 1349 CB GLU A 90 -15.544 -2.743 -3.734 1.00 0.00 C ATOM 1350 CG GLU A 90 -16.734 -1.905 -4.171 1.00 0.00 C ATOM 1351 CD GLU A 90 -16.571 -1.347 -5.572 1.00 0.00 C ATOM 1352 OE1 GLU A 90 -16.895 -2.068 -6.539 1.00 0.00 O ATOM 1353 OE2 GLU A 90 -16.121 -0.190 -5.700 1.00 0.00 O ATOM 0 H GLU A 90 -15.978 -1.410 -1.707 1.00 0.00 H new ATOM 0 HA GLU A 90 -16.599 -4.030 -2.374 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -14.653 -2.115 -3.721 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -15.371 -3.526 -4.472 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -17.637 -2.514 -4.129 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -16.871 -1.082 -3.470 1.00 0.00 H new ATOM 1360 N MET A 91 -13.438 -3.590 -1.560 1.00 0.00 N ATOM 1361 CA MET A 91 -12.210 -4.289 -1.203 1.00 0.00 C ATOM 1362 C MET A 91 -12.478 -5.350 -0.140 1.00 0.00 C ATOM 1363 O MET A 91 -11.825 -6.393 -0.112 1.00 0.00 O ATOM 1364 CB MET A 91 -11.161 -3.297 -0.698 1.00 0.00 C ATOM 1365 CG MET A 91 -9.893 -3.961 -0.185 1.00 0.00 C ATOM 1366 SD MET A 91 -8.869 -4.622 -1.513 1.00 0.00 S ATOM 1367 CE MET A 91 -7.554 -3.407 -1.563 1.00 0.00 C ATOM 0 H MET A 91 -13.403 -2.580 -1.424 1.00 0.00 H new ATOM 0 HA MET A 91 -11.830 -4.784 -2.097 1.00 0.00 H new ATOM 0 HB2 MET A 91 -10.902 -2.613 -1.506 1.00 0.00 H new ATOM 0 HB3 MET A 91 -11.596 -2.697 0.101 1.00 0.00 H new ATOM 0 HG2 MET A 91 -9.315 -3.237 0.388 1.00 0.00 H new ATOM 0 HG3 MET A 91 -10.161 -4.767 0.498 1.00 0.00 H new ATOM 0 HE1 MET A 91 -7.117 -3.385 -2.561 1.00 0.00 H new ATOM 0 HE2 MET A 91 -7.958 -2.424 -1.321 1.00 0.00 H new ATOM 0 HE3 MET A 91 -6.786 -3.672 -0.837 1.00 0.00 H new ATOM 1377 N ALA A 92 -13.441 -5.076 0.733 1.00 0.00 N ATOM 1378 CA ALA A 92 -13.796 -6.007 1.797 1.00 0.00 C ATOM 1379 C ALA A 92 -14.675 -7.136 1.268 1.00 0.00 C ATOM 1380 O ALA A 92 -14.534 -8.288 1.677 1.00 0.00 O ATOM 1381 CB ALA A 92 -14.500 -5.273 2.928 1.00 0.00 C ATOM 0 H ALA A 92 -13.990 -4.216 0.725 1.00 0.00 H new ATOM 0 HA ALA A 92 -12.876 -6.448 2.182 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -14.759 -5.981 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -13.838 -4.507 3.332 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -15.408 -4.804 2.548 1.00 0.00 H new ATOM 1387 N SER A 93 -15.581 -6.796 0.357 1.00 0.00 N ATOM 1388 CA SER A 93 -16.486 -7.781 -0.224 1.00 0.00 C ATOM 1389 C SER A 93 -15.731 -8.738 -1.142 1.00 0.00 C ATOM 1390 O SER A 93 -15.790 -9.955 -0.972 1.00 0.00 O ATOM 1391 CB SER A 93 -17.601 -7.082 -1.004 1.00 0.00 C ATOM 1392 OG SER A 93 -18.304 -6.168 -0.180 1.00 0.00 O ATOM 0 H SER A 93 -15.708 -5.847 0.005 1.00 0.00 H new ATOM 0 HA SER A 93 -16.927 -8.357 0.589 1.00 0.00 H new ATOM 0 HB2 SER A 93 -17.176 -6.554 -1.858 1.00 0.00 H new ATOM 0 HB3 SER A 93 -18.293 -7.825 -1.401 1.00 0.00 H new ATOM 0 HG SER A 93 -19.010 -5.733 -0.702 1.00 0.00 H new ATOM 1398 N VAL A 94 -15.021 -8.177 -2.116 1.00 0.00 N ATOM 1399 CA VAL A 94 -14.253 -8.978 -3.061 1.00 0.00 C ATOM 1400 C VAL A 94 -13.365 -9.982 -2.335 1.00 0.00 C ATOM 1401 O VAL A 94 -12.635 -9.627 -1.411 1.00 0.00 O ATOM 1402 CB VAL A 94 -13.375 -8.092 -3.965 1.00 0.00 C ATOM 1403 CG1 VAL A 94 -12.253 -7.455 -3.160 1.00 0.00 C ATOM 1404 CG2 VAL A 94 -12.817 -8.903 -5.125 1.00 0.00 C ATOM 0 H VAL A 94 -14.962 -7.171 -2.271 1.00 0.00 H new ATOM 0 HA VAL A 94 -14.973 -9.514 -3.680 1.00 0.00 H new ATOM 0 HB VAL A 94 -13.994 -7.294 -4.375 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -11.643 -6.833 -3.815 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -12.678 -6.839 -2.367 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -11.632 -8.236 -2.720 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -12.199 -8.262 -5.753 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -12.212 -9.723 -4.738 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -13.639 -9.306 -5.716 1.00 0.00 H new ATOM 1414 N GLY A 95 -13.432 -11.240 -2.762 1.00 0.00 N ATOM 1415 CA GLY A 95 -12.628 -12.277 -2.142 1.00 0.00 C ATOM 1416 C GLY A 95 -11.141 -12.022 -2.284 1.00 0.00 C ATOM 1417 O GLY A 95 -10.393 -12.117 -1.312 1.00 0.00 O ATOM 0 H GLY A 95 -14.028 -11.559 -3.526 1.00 0.00 H new ATOM 0 HA2 GLY A 95 -12.882 -12.345 -1.084 1.00 0.00 H new ATOM 0 HA3 GLY A 95 -12.873 -13.239 -2.592 1.00 0.00 H new ATOM 1421 N GLU A 96 -10.712 -11.698 -3.500 1.00 0.00 N ATOM 1422 CA GLU A 96 -9.303 -11.431 -3.766 1.00 0.00 C ATOM 1423 C GLU A 96 -9.145 -10.426 -4.904 1.00 0.00 C ATOM 1424 O GLU A 96 -9.793 -10.523 -5.946 1.00 0.00 O ATOM 1425 CB GLU A 96 -8.571 -12.729 -4.113 1.00 0.00 C ATOM 1426 CG GLU A 96 -7.058 -12.596 -4.107 1.00 0.00 C ATOM 1427 CD GLU A 96 -6.354 -13.924 -4.305 1.00 0.00 C ATOM 1428 OE1 GLU A 96 -6.097 -14.616 -3.298 1.00 0.00 O ATOM 1429 OE2 GLU A 96 -6.059 -14.270 -5.469 1.00 0.00 O ATOM 0 H GLU A 96 -11.319 -11.614 -4.315 1.00 0.00 H new ATOM 0 HA GLU A 96 -8.864 -11.005 -2.864 1.00 0.00 H new ATOM 0 HB2 GLU A 96 -8.862 -13.501 -3.401 1.00 0.00 H new ATOM 0 HB3 GLU A 96 -8.894 -13.066 -5.098 1.00 0.00 H new ATOM 0 HG2 GLU A 96 -6.755 -11.907 -4.896 1.00 0.00 H new ATOM 0 HG3 GLU A 96 -6.739 -12.158 -3.161 1.00 0.00 H new ATOM 1436 N PRO A 97 -8.263 -9.437 -4.701 1.00 0.00 N ATOM 1437 CA PRO A 97 -7.999 -8.394 -5.697 1.00 0.00 C ATOM 1438 C PRO A 97 -7.261 -8.933 -6.918 1.00 0.00 C ATOM 1439 O PRO A 97 -6.828 -10.086 -6.935 1.00 0.00 O ATOM 1440 CB PRO A 97 -7.121 -7.394 -4.940 1.00 0.00 C ATOM 1441 CG PRO A 97 -6.463 -8.199 -3.874 1.00 0.00 C ATOM 1442 CD PRO A 97 -7.455 -9.259 -3.482 1.00 0.00 C ATOM 0 HA PRO A 97 -8.920 -7.962 -6.089 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -6.385 -6.934 -5.600 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -7.717 -6.586 -4.515 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -5.538 -8.646 -4.238 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -6.201 -7.575 -3.020 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -6.959 -10.185 -3.189 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -8.067 -8.944 -2.637 1.00 0.00 H new ATOM 1450 N ASP A 98 -7.120 -8.093 -7.937 1.00 0.00 N ATOM 1451 CA ASP A 98 -6.433 -8.485 -9.162 1.00 0.00 C ATOM 1452 C ASP A 98 -4.967 -8.064 -9.121 1.00 0.00 C ATOM 1453 O ASP A 98 -4.652 -6.874 -9.095 1.00 0.00 O ATOM 1454 CB ASP A 98 -7.121 -7.864 -10.379 1.00 0.00 C ATOM 1455 CG ASP A 98 -6.523 -8.342 -11.688 1.00 0.00 C ATOM 1456 OD1 ASP A 98 -5.286 -8.505 -11.750 1.00 0.00 O ATOM 1457 OD2 ASP A 98 -7.291 -8.551 -12.650 1.00 0.00 O ATOM 0 H ASP A 98 -7.472 -7.136 -7.939 1.00 0.00 H new ATOM 0 HA ASP A 98 -6.479 -9.571 -9.244 1.00 0.00 H new ATOM 0 HB2 ASP A 98 -8.183 -8.109 -10.357 1.00 0.00 H new ATOM 0 HB3 ASP A 98 -7.043 -6.778 -10.322 1.00 0.00 H new ATOM 1462 N LYS A 99 -4.074 -9.048 -9.114 1.00 0.00 N ATOM 1463 CA LYS A 99 -2.641 -8.782 -9.076 1.00 0.00 C ATOM 1464 C LYS A 99 -2.301 -7.525 -9.870 1.00 0.00 C ATOM 1465 O LYS A 99 -1.604 -6.637 -9.376 1.00 0.00 O ATOM 1466 CB LYS A 99 -1.865 -9.976 -9.635 1.00 0.00 C ATOM 1467 CG LYS A 99 -0.357 -9.810 -9.561 1.00 0.00 C ATOM 1468 CD LYS A 99 0.164 -10.060 -8.156 1.00 0.00 C ATOM 1469 CE LYS A 99 1.599 -9.579 -8.000 1.00 0.00 C ATOM 1470 NZ LYS A 99 2.565 -10.489 -8.676 1.00 0.00 N ATOM 0 H LYS A 99 -4.318 -10.038 -9.134 1.00 0.00 H new ATOM 0 HA LYS A 99 -2.353 -8.624 -8.037 1.00 0.00 H new ATOM 0 HB2 LYS A 99 -2.151 -10.873 -9.086 1.00 0.00 H new ATOM 0 HB3 LYS A 99 -2.154 -10.132 -10.674 1.00 0.00 H new ATOM 0 HG2 LYS A 99 0.120 -10.502 -10.255 1.00 0.00 H new ATOM 0 HG3 LYS A 99 -0.085 -8.803 -9.877 1.00 0.00 H new ATOM 0 HD2 LYS A 99 -0.473 -9.549 -7.434 1.00 0.00 H new ATOM 0 HD3 LYS A 99 0.110 -11.125 -7.931 1.00 0.00 H new ATOM 0 HE2 LYS A 99 1.693 -8.576 -8.416 1.00 0.00 H new ATOM 0 HE3 LYS A 99 1.846 -9.509 -6.941 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 3.531 -10.127 -8.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 2.493 -11.440 -8.262 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 2.346 -10.536 -9.692 1.00 0.00 H new ATOM 1484 N LEU A 100 -2.796 -7.455 -11.100 1.00 0.00 N ATOM 1485 CA LEU A 100 -2.546 -6.305 -11.962 1.00 0.00 C ATOM 1486 C LEU A 100 -2.973 -5.009 -11.279 1.00 0.00 C ATOM 1487 O LEU A 100 -2.142 -4.158 -10.963 1.00 0.00 O ATOM 1488 CB LEU A 100 -3.289 -6.465 -13.289 1.00 0.00 C ATOM 1489 CG LEU A 100 -2.591 -7.314 -14.351 1.00 0.00 C ATOM 1490 CD1 LEU A 100 -3.588 -7.783 -15.400 1.00 0.00 C ATOM 1491 CD2 LEU A 100 -1.459 -6.532 -15.000 1.00 0.00 C ATOM 0 H LEU A 100 -3.373 -8.181 -11.524 1.00 0.00 H new ATOM 0 HA LEU A 100 -1.475 -6.255 -12.157 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -4.265 -6.905 -13.085 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -3.467 -5.473 -13.705 1.00 0.00 H new ATOM 0 HG LEU A 100 -2.166 -8.192 -13.865 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -3.073 -8.386 -16.148 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -4.364 -8.382 -14.923 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -4.043 -6.918 -15.882 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -0.974 -7.152 -15.753 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -1.860 -5.635 -15.472 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -0.731 -6.247 -14.240 1.00 0.00 H new ATOM 1503 N SER A 101 -4.275 -4.868 -11.053 1.00 0.00 N ATOM 1504 CA SER A 101 -4.814 -3.675 -10.409 1.00 0.00 C ATOM 1505 C SER A 101 -3.992 -3.304 -9.179 1.00 0.00 C ATOM 1506 O SER A 101 -3.649 -2.139 -8.977 1.00 0.00 O ATOM 1507 CB SER A 101 -6.274 -3.900 -10.011 1.00 0.00 C ATOM 1508 OG SER A 101 -6.982 -2.674 -9.952 1.00 0.00 O ATOM 0 H SER A 101 -4.976 -5.564 -11.306 1.00 0.00 H new ATOM 0 HA SER A 101 -4.762 -2.852 -11.122 1.00 0.00 H new ATOM 0 HB2 SER A 101 -6.752 -4.565 -10.730 1.00 0.00 H new ATOM 0 HB3 SER A 101 -6.317 -4.396 -9.041 1.00 0.00 H new ATOM 0 HG SER A 101 -7.940 -2.854 -9.856 1.00 0.00 H new ATOM 1514 N MET A 102 -3.679 -4.303 -8.360 1.00 0.00 N ATOM 1515 CA MET A 102 -2.895 -4.082 -7.150 1.00 0.00 C ATOM 1516 C MET A 102 -1.521 -3.511 -7.489 1.00 0.00 C ATOM 1517 O MET A 102 -1.187 -2.394 -7.094 1.00 0.00 O ATOM 1518 CB MET A 102 -2.740 -5.389 -6.372 1.00 0.00 C ATOM 1519 CG MET A 102 -4.022 -5.852 -5.699 1.00 0.00 C ATOM 1520 SD MET A 102 -4.608 -4.693 -4.449 1.00 0.00 S ATOM 1521 CE MET A 102 -3.220 -4.685 -3.317 1.00 0.00 C ATOM 0 H MET A 102 -3.956 -5.273 -8.512 1.00 0.00 H new ATOM 0 HA MET A 102 -3.426 -3.360 -6.530 1.00 0.00 H new ATOM 0 HB2 MET A 102 -2.394 -6.168 -7.052 1.00 0.00 H new ATOM 0 HB3 MET A 102 -1.967 -5.262 -5.614 1.00 0.00 H new ATOM 0 HG2 MET A 102 -4.796 -5.987 -6.455 1.00 0.00 H new ATOM 0 HG3 MET A 102 -3.854 -6.825 -5.237 1.00 0.00 H new ATOM 0 HE1 MET A 102 -3.385 -3.934 -2.545 1.00 0.00 H new ATOM 0 HE2 MET A 102 -3.123 -5.667 -2.854 1.00 0.00 H new ATOM 0 HE3 MET A 102 -2.307 -4.449 -3.863 1.00 0.00 H new ATOM 1531 N VAL A 103 -0.728 -4.286 -8.222 1.00 0.00 N ATOM 1532 CA VAL A 103 0.609 -3.858 -8.614 1.00 0.00 C ATOM 1533 C VAL A 103 0.577 -2.476 -9.256 1.00 0.00 C ATOM 1534 O VAL A 103 1.244 -1.550 -8.795 1.00 0.00 O ATOM 1535 CB VAL A 103 1.252 -4.854 -9.597 1.00 0.00 C ATOM 1536 CG1 VAL A 103 2.605 -4.342 -10.069 1.00 0.00 C ATOM 1537 CG2 VAL A 103 1.387 -6.225 -8.953 1.00 0.00 C ATOM 0 H VAL A 103 -0.989 -5.214 -8.556 1.00 0.00 H new ATOM 0 HA VAL A 103 1.208 -3.819 -7.704 1.00 0.00 H new ATOM 0 HB VAL A 103 0.603 -4.949 -10.468 1.00 0.00 H new ATOM 0 HG11 VAL A 103 3.044 -5.059 -10.763 1.00 0.00 H new ATOM 0 HG12 VAL A 103 2.476 -3.383 -10.572 1.00 0.00 H new ATOM 0 HG13 VAL A 103 3.266 -4.216 -9.211 1.00 0.00 H new ATOM 0 HG21 VAL A 103 1.843 -6.916 -9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 103 2.014 -6.150 -8.065 1.00 0.00 H new ATOM 0 HG23 VAL A 103 0.401 -6.593 -8.671 1.00 0.00 H new ATOM 1547 N MET A 104 -0.203 -2.343 -10.324 1.00 0.00 N ATOM 1548 CA MET A 104 -0.324 -1.072 -11.029 1.00 0.00 C ATOM 1549 C MET A 104 -0.646 0.060 -10.058 1.00 0.00 C ATOM 1550 O MET A 104 0.100 1.033 -9.956 1.00 0.00 O ATOM 1551 CB MET A 104 -1.409 -1.162 -12.104 1.00 0.00 C ATOM 1552 CG MET A 104 -1.063 -2.113 -13.238 1.00 0.00 C ATOM 1553 SD MET A 104 -1.949 -1.729 -14.761 1.00 0.00 S ATOM 1554 CE MET A 104 -3.486 -2.606 -14.488 1.00 0.00 C ATOM 0 H MET A 104 -0.761 -3.100 -10.720 1.00 0.00 H new ATOM 0 HA MET A 104 0.632 -0.857 -11.506 1.00 0.00 H new ATOM 0 HB2 MET A 104 -2.341 -1.485 -11.641 1.00 0.00 H new ATOM 0 HB3 MET A 104 -1.585 -0.168 -12.515 1.00 0.00 H new ATOM 0 HG2 MET A 104 0.010 -2.073 -13.426 1.00 0.00 H new ATOM 0 HG3 MET A 104 -1.295 -3.134 -12.935 1.00 0.00 H new ATOM 0 HE1 MET A 104 -3.518 -3.491 -15.123 1.00 0.00 H new ATOM 0 HE2 MET A 104 -3.552 -2.907 -13.443 1.00 0.00 H new ATOM 0 HE3 MET A 104 -4.325 -1.954 -14.732 1.00 0.00 H new ATOM 1564 N TYR A 105 -1.761 -0.075 -9.349 1.00 0.00 N ATOM 1565 CA TYR A 105 -2.183 0.938 -8.389 1.00 0.00 C ATOM 1566 C TYR A 105 -1.036 1.314 -7.454 1.00 0.00 C ATOM 1567 O TYR A 105 -0.595 2.464 -7.425 1.00 0.00 O ATOM 1568 CB TYR A 105 -3.375 0.434 -7.574 1.00 0.00 C ATOM 1569 CG TYR A 105 -3.681 1.281 -6.360 1.00 0.00 C ATOM 1570 CD1 TYR A 105 -4.406 2.460 -6.476 1.00 0.00 C ATOM 1571 CD2 TYR A 105 -3.244 0.903 -5.096 1.00 0.00 C ATOM 1572 CE1 TYR A 105 -4.687 3.238 -5.369 1.00 0.00 C ATOM 1573 CE2 TYR A 105 -3.522 1.673 -3.984 1.00 0.00 C ATOM 1574 CZ TYR A 105 -4.243 2.840 -4.125 1.00 0.00 C ATOM 1575 OH TYR A 105 -4.522 3.612 -3.021 1.00 0.00 O ATOM 0 H TYR A 105 -2.389 -0.876 -9.421 1.00 0.00 H new ATOM 0 HA TYR A 105 -2.481 1.827 -8.945 1.00 0.00 H new ATOM 0 HB2 TYR A 105 -4.256 0.402 -8.216 1.00 0.00 H new ATOM 0 HB3 TYR A 105 -3.178 -0.589 -7.253 1.00 0.00 H new ATOM 0 HD1 TYR A 105 -4.756 2.774 -7.448 1.00 0.00 H new ATOM 0 HD2 TYR A 105 -2.677 -0.009 -4.981 1.00 0.00 H new ATOM 0 HE1 TYR A 105 -5.251 4.153 -5.477 1.00 0.00 H new ATOM 0 HE2 TYR A 105 -3.177 1.363 -3.009 1.00 0.00 H new ATOM 0 HH TYR A 105 -5.454 3.474 -2.752 1.00 0.00 H new ATOM 1585 N LEU A 106 -0.559 0.337 -6.692 1.00 0.00 N ATOM 1586 CA LEU A 106 0.537 0.563 -5.756 1.00 0.00 C ATOM 1587 C LEU A 106 1.694 1.288 -6.436 1.00 0.00 C ATOM 1588 O LEU A 106 2.193 2.294 -5.931 1.00 0.00 O ATOM 1589 CB LEU A 106 1.024 -0.768 -5.179 1.00 0.00 C ATOM 1590 CG LEU A 106 0.038 -1.508 -4.274 1.00 0.00 C ATOM 1591 CD1 LEU A 106 0.587 -2.873 -3.890 1.00 0.00 C ATOM 1592 CD2 LEU A 106 -0.266 -0.684 -3.031 1.00 0.00 C ATOM 0 H LEU A 106 -0.913 -0.619 -6.703 1.00 0.00 H new ATOM 0 HA LEU A 106 0.166 1.190 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 106 1.289 -1.425 -6.007 1.00 0.00 H new ATOM 0 HB3 LEU A 106 1.937 -0.583 -4.613 1.00 0.00 H new ATOM 0 HG LEU A 106 -0.891 -1.655 -4.824 1.00 0.00 H new ATOM 0 HD11 LEU A 106 -0.128 -3.385 -3.246 1.00 0.00 H new ATOM 0 HD12 LEU A 106 0.753 -3.465 -4.790 1.00 0.00 H new ATOM 0 HD13 LEU A 106 1.530 -2.749 -3.358 1.00 0.00 H new ATOM 0 HD21 LEU A 106 -0.969 -1.226 -2.398 1.00 0.00 H new ATOM 0 HD22 LEU A 106 0.656 -0.506 -2.478 1.00 0.00 H new ATOM 0 HD23 LEU A 106 -0.703 0.270 -3.325 1.00 0.00 H new ATOM 1604 N THR A 107 2.114 0.773 -7.587 1.00 0.00 N ATOM 1605 CA THR A 107 3.210 1.371 -8.338 1.00 0.00 C ATOM 1606 C THR A 107 3.228 2.886 -8.171 1.00 0.00 C ATOM 1607 O THR A 107 4.252 3.468 -7.812 1.00 0.00 O ATOM 1608 CB THR A 107 3.115 1.033 -9.838 1.00 0.00 C ATOM 1609 OG1 THR A 107 3.019 -0.385 -10.015 1.00 0.00 O ATOM 1610 CG2 THR A 107 4.327 1.562 -10.590 1.00 0.00 C ATOM 0 H THR A 107 1.711 -0.058 -8.020 1.00 0.00 H new ATOM 0 HA THR A 107 4.133 0.952 -7.937 1.00 0.00 H new ATOM 0 HB THR A 107 2.221 1.511 -10.240 1.00 0.00 H new ATOM 0 HG1 THR A 107 2.114 -0.683 -9.786 1.00 0.00 H new ATOM 0 HG21 THR A 107 4.237 1.311 -11.647 1.00 0.00 H new ATOM 0 HG22 THR A 107 4.381 2.645 -10.477 1.00 0.00 H new ATOM 0 HG23 THR A 107 5.232 1.110 -10.185 1.00 0.00 H new ATOM 1618 N GLN A 108 2.089 3.520 -8.432 1.00 0.00 N ATOM 1619 CA GLN A 108 1.976 4.968 -8.310 1.00 0.00 C ATOM 1620 C GLN A 108 2.727 5.471 -7.082 1.00 0.00 C ATOM 1621 O GLN A 108 3.639 6.292 -7.193 1.00 0.00 O ATOM 1622 CB GLN A 108 0.505 5.380 -8.227 1.00 0.00 C ATOM 1623 CG GLN A 108 -0.295 5.035 -9.472 1.00 0.00 C ATOM 1624 CD GLN A 108 -1.729 5.521 -9.398 1.00 0.00 C ATOM 1625 OE1 GLN A 108 -2.643 4.621 -9.053 1.00 0.00 O flip ATOM 1626 NE2 GLN A 108 -2.014 6.692 -9.649 1.00 0.00 N flip ATOM 0 H GLN A 108 1.232 3.053 -8.729 1.00 0.00 H new ATOM 0 HA GLN A 108 2.423 5.418 -9.196 1.00 0.00 H new ATOM 0 HB2 GLN A 108 0.048 4.893 -7.365 1.00 0.00 H new ATOM 0 HB3 GLN A 108 0.447 6.455 -8.054 1.00 0.00 H new ATOM 0 HG2 GLN A 108 0.189 5.475 -10.344 1.00 0.00 H new ATOM 0 HG3 GLN A 108 -0.289 3.954 -9.615 1.00 0.00 H new ATOM 0 HE21 GLN A 108 -1.280 7.351 -9.910 1.00 0.00 H new ATOM 0 HE22 GLN A 108 -2.984 7.004 -9.596 1.00 0.00 H new ATOM 1635 N PHE A 109 2.339 4.975 -5.912 1.00 0.00 N ATOM 1636 CA PHE A 109 2.975 5.376 -4.663 1.00 0.00 C ATOM 1637 C PHE A 109 4.489 5.208 -4.745 1.00 0.00 C ATOM 1638 O PHE A 109 5.246 6.113 -4.393 1.00 0.00 O ATOM 1639 CB PHE A 109 2.422 4.553 -3.497 1.00 0.00 C ATOM 1640 CG PHE A 109 0.963 4.794 -3.233 1.00 0.00 C ATOM 1641 CD1 PHE A 109 -0.006 4.160 -3.994 1.00 0.00 C ATOM 1642 CD2 PHE A 109 0.560 5.653 -2.223 1.00 0.00 C ATOM 1643 CE1 PHE A 109 -1.349 4.380 -3.754 1.00 0.00 C ATOM 1644 CE2 PHE A 109 -0.782 5.877 -1.978 1.00 0.00 C ATOM 1645 CZ PHE A 109 -1.737 5.239 -2.744 1.00 0.00 C ATOM 0 H PHE A 109 1.587 4.295 -5.803 1.00 0.00 H new ATOM 0 HA PHE A 109 2.753 6.429 -4.493 1.00 0.00 H new ATOM 0 HB2 PHE A 109 2.575 3.494 -3.705 1.00 0.00 H new ATOM 0 HB3 PHE A 109 2.990 4.787 -2.596 1.00 0.00 H new ATOM 0 HD1 PHE A 109 0.292 3.486 -4.784 1.00 0.00 H new ATOM 0 HD2 PHE A 109 1.303 6.153 -1.620 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -2.094 3.881 -4.355 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.083 6.550 -1.189 1.00 0.00 H new ATOM 0 HZ PHE A 109 -2.786 5.411 -2.554 1.00 0.00 H new ATOM 1655 N TYR A 110 4.924 4.042 -5.212 1.00 0.00 N ATOM 1656 CA TYR A 110 6.348 3.753 -5.338 1.00 0.00 C ATOM 1657 C TYR A 110 7.039 4.791 -6.216 1.00 0.00 C ATOM 1658 O TYR A 110 7.971 5.466 -5.781 1.00 0.00 O ATOM 1659 CB TYR A 110 6.555 2.355 -5.922 1.00 0.00 C ATOM 1660 CG TYR A 110 7.829 2.217 -6.726 1.00 0.00 C ATOM 1661 CD1 TYR A 110 7.856 2.531 -8.079 1.00 0.00 C ATOM 1662 CD2 TYR A 110 9.004 1.773 -6.133 1.00 0.00 C ATOM 1663 CE1 TYR A 110 9.017 2.406 -8.818 1.00 0.00 C ATOM 1664 CE2 TYR A 110 10.169 1.647 -6.863 1.00 0.00 C ATOM 1665 CZ TYR A 110 10.171 1.964 -8.205 1.00 0.00 C ATOM 1666 OH TYR A 110 11.330 1.839 -8.937 1.00 0.00 O ATOM 0 H TYR A 110 4.311 3.283 -5.509 1.00 0.00 H new ATOM 0 HA TYR A 110 6.791 3.793 -4.343 1.00 0.00 H new ATOM 0 HB2 TYR A 110 6.568 1.629 -5.109 1.00 0.00 H new ATOM 0 HB3 TYR A 110 5.705 2.106 -6.558 1.00 0.00 H new ATOM 0 HD1 TYR A 110 6.954 2.879 -8.561 1.00 0.00 H new ATOM 0 HD2 TYR A 110 9.006 1.522 -5.083 1.00 0.00 H new ATOM 0 HE1 TYR A 110 9.021 2.653 -9.869 1.00 0.00 H new ATOM 0 HE2 TYR A 110 11.074 1.302 -6.385 1.00 0.00 H new ATOM 0 HH TYR A 110 12.051 1.517 -8.356 1.00 0.00 H new ATOM 1676 N GLU A 111 6.574 4.913 -7.456 1.00 0.00 N ATOM 1677 CA GLU A 111 7.147 5.869 -8.396 1.00 0.00 C ATOM 1678 C GLU A 111 7.232 7.259 -7.774 1.00 0.00 C ATOM 1679 O GLU A 111 8.194 7.993 -7.999 1.00 0.00 O ATOM 1680 CB GLU A 111 6.312 5.921 -9.677 1.00 0.00 C ATOM 1681 CG GLU A 111 6.513 4.719 -10.584 1.00 0.00 C ATOM 1682 CD GLU A 111 6.104 4.996 -12.018 1.00 0.00 C ATOM 1683 OE1 GLU A 111 6.092 6.181 -12.413 1.00 0.00 O ATOM 1684 OE2 GLU A 111 5.796 4.028 -12.745 1.00 0.00 O ATOM 0 H GLU A 111 5.803 4.362 -7.832 1.00 0.00 H new ATOM 0 HA GLU A 111 8.156 5.538 -8.642 1.00 0.00 H new ATOM 0 HB2 GLU A 111 5.257 5.992 -9.411 1.00 0.00 H new ATOM 0 HB3 GLU A 111 6.563 6.827 -10.228 1.00 0.00 H new ATOM 0 HG2 GLU A 111 7.561 4.422 -10.560 1.00 0.00 H new ATOM 0 HG3 GLU A 111 5.934 3.878 -10.201 1.00 0.00 H new ATOM 1691 N MET A 112 6.218 7.614 -6.991 1.00 0.00 N ATOM 1692 CA MET A 112 6.179 8.916 -6.336 1.00 0.00 C ATOM 1693 C MET A 112 7.202 8.988 -5.207 1.00 0.00 C ATOM 1694 O MET A 112 7.904 9.989 -5.054 1.00 0.00 O ATOM 1695 CB MET A 112 4.777 9.193 -5.788 1.00 0.00 C ATOM 1696 CG MET A 112 4.584 10.622 -5.307 1.00 0.00 C ATOM 1697 SD MET A 112 2.878 11.183 -5.464 1.00 0.00 S ATOM 1698 CE MET A 112 2.055 10.093 -4.306 1.00 0.00 C ATOM 0 H MET A 112 5.413 7.019 -6.795 1.00 0.00 H new ATOM 0 HA MET A 112 6.429 9.675 -7.077 1.00 0.00 H new ATOM 0 HB2 MET A 112 4.043 8.977 -6.565 1.00 0.00 H new ATOM 0 HB3 MET A 112 4.577 8.510 -4.962 1.00 0.00 H new ATOM 0 HG2 MET A 112 4.892 10.695 -4.264 1.00 0.00 H new ATOM 0 HG3 MET A 112 5.234 11.285 -5.878 1.00 0.00 H new ATOM 0 HE1 MET A 112 1.043 9.888 -4.655 1.00 0.00 H new ATOM 0 HE2 MET A 112 2.609 9.157 -4.230 1.00 0.00 H new ATOM 0 HE3 MET A 112 2.011 10.569 -3.326 1.00 0.00 H new ATOM 1708 N PHE A 113 7.282 7.922 -4.418 1.00 0.00 N ATOM 1709 CA PHE A 113 8.219 7.865 -3.302 1.00 0.00 C ATOM 1710 C PHE A 113 9.392 6.945 -3.623 1.00 0.00 C ATOM 1711 O PHE A 113 9.905 6.244 -2.750 1.00 0.00 O ATOM 1712 CB PHE A 113 7.508 7.381 -2.036 1.00 0.00 C ATOM 1713 CG PHE A 113 6.252 8.143 -1.726 1.00 0.00 C ATOM 1714 CD1 PHE A 113 6.264 9.527 -1.657 1.00 0.00 C ATOM 1715 CD2 PHE A 113 5.058 7.476 -1.503 1.00 0.00 C ATOM 1716 CE1 PHE A 113 5.109 10.230 -1.370 1.00 0.00 C ATOM 1717 CE2 PHE A 113 3.900 8.173 -1.217 1.00 0.00 C ATOM 1718 CZ PHE A 113 3.925 9.553 -1.152 1.00 0.00 C ATOM 0 H PHE A 113 6.709 7.086 -4.531 1.00 0.00 H new ATOM 0 HA PHE A 113 8.605 8.870 -3.132 1.00 0.00 H new ATOM 0 HB2 PHE A 113 7.264 6.324 -2.147 1.00 0.00 H new ATOM 0 HB3 PHE A 113 8.191 7.463 -1.191 1.00 0.00 H new ATOM 0 HD1 PHE A 113 7.186 10.062 -1.829 1.00 0.00 H new ATOM 0 HD2 PHE A 113 5.032 6.397 -1.553 1.00 0.00 H new ATOM 0 HE1 PHE A 113 5.132 11.308 -1.316 1.00 0.00 H new ATOM 0 HE2 PHE A 113 2.977 7.640 -1.044 1.00 0.00 H new ATOM 0 HZ PHE A 113 3.021 10.101 -0.931 1.00 0.00 H new ATOM 1728 N LYS A 114 9.814 6.951 -4.883 1.00 0.00 N ATOM 1729 CA LYS A 114 10.927 6.118 -5.323 1.00 0.00 C ATOM 1730 C LYS A 114 12.261 6.800 -5.040 1.00 0.00 C ATOM 1731 O LYS A 114 13.203 6.168 -4.562 1.00 0.00 O ATOM 1732 CB LYS A 114 10.804 5.814 -6.818 1.00 0.00 C ATOM 1733 CG LYS A 114 11.049 7.022 -7.706 1.00 0.00 C ATOM 1734 CD LYS A 114 10.698 6.728 -9.155 1.00 0.00 C ATOM 1735 CE LYS A 114 11.292 7.768 -10.094 1.00 0.00 C ATOM 1736 NZ LYS A 114 12.778 7.692 -10.137 1.00 0.00 N ATOM 0 H LYS A 114 9.401 7.525 -5.619 1.00 0.00 H new ATOM 0 HA LYS A 114 10.891 5.183 -4.765 1.00 0.00 H new ATOM 0 HB2 LYS A 114 11.515 5.030 -7.081 1.00 0.00 H new ATOM 0 HB3 LYS A 114 9.807 5.421 -7.020 1.00 0.00 H new ATOM 0 HG2 LYS A 114 10.454 7.863 -7.350 1.00 0.00 H new ATOM 0 HG3 LYS A 114 12.095 7.319 -7.637 1.00 0.00 H new ATOM 0 HD2 LYS A 114 11.066 5.739 -9.426 1.00 0.00 H new ATOM 0 HD3 LYS A 114 9.614 6.708 -9.271 1.00 0.00 H new ATOM 0 HE2 LYS A 114 10.892 7.622 -11.097 1.00 0.00 H new ATOM 0 HE3 LYS A 114 10.989 8.764 -9.771 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 13.109 7.916 -11.097 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 13.180 8.375 -9.464 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 13.084 6.732 -9.880 1.00 0.00 H new ATOM 1750 N ASP A 115 12.334 8.093 -5.336 1.00 0.00 N ATOM 1751 CA ASP A 115 13.553 8.862 -5.111 1.00 0.00 C ATOM 1752 C ASP A 115 13.797 9.068 -3.619 1.00 0.00 C ATOM 1753 O ASP A 115 14.900 8.840 -3.124 1.00 0.00 O ATOM 1754 CB ASP A 115 13.466 10.215 -5.818 1.00 0.00 C ATOM 1755 CG ASP A 115 13.022 10.086 -7.262 1.00 0.00 C ATOM 1756 OD1 ASP A 115 13.866 9.734 -8.114 1.00 0.00 O ATOM 1757 OD2 ASP A 115 11.831 10.336 -7.541 1.00 0.00 O ATOM 0 H ASP A 115 11.563 8.631 -5.732 1.00 0.00 H new ATOM 0 HA ASP A 115 14.390 8.299 -5.524 1.00 0.00 H new ATOM 0 HB2 ASP A 115 12.767 10.857 -5.282 1.00 0.00 H new ATOM 0 HB3 ASP A 115 14.440 10.704 -5.783 1.00 0.00 H new ATOM 1762 N SER A 116 12.761 9.503 -2.910 1.00 0.00 N ATOM 1763 CA SER A 116 12.864 9.745 -1.476 1.00 0.00 C ATOM 1764 C SER A 116 13.392 8.510 -0.752 1.00 0.00 C ATOM 1765 O SER A 116 12.680 7.519 -0.592 1.00 0.00 O ATOM 1766 CB SER A 116 11.501 10.141 -0.904 1.00 0.00 C ATOM 1767 OG SER A 116 11.305 11.543 -0.978 1.00 0.00 O ATOM 0 H SER A 116 11.840 9.695 -3.305 1.00 0.00 H new ATOM 0 HA SER A 116 13.567 10.564 -1.321 1.00 0.00 H new ATOM 0 HB2 SER A 116 10.710 9.631 -1.454 1.00 0.00 H new ATOM 0 HB3 SER A 116 11.430 9.815 0.134 1.00 0.00 H new ATOM 0 HG SER A 116 10.426 11.770 -0.608 1.00 0.00 H new ATOM 1773 N GLY A 117 14.647 8.577 -0.318 1.00 0.00 N ATOM 1774 CA GLY A 117 15.250 7.459 0.383 1.00 0.00 C ATOM 1775 C GLY A 117 15.783 7.849 1.748 1.00 0.00 C ATOM 1776 O GLY A 117 15.871 9.028 2.089 1.00 0.00 O ATOM 0 H GLY A 117 15.257 9.386 -0.440 1.00 0.00 H new ATOM 0 HA2 GLY A 117 14.512 6.665 0.498 1.00 0.00 H new ATOM 0 HA3 GLY A 117 16.063 7.053 -0.219 1.00 0.00 H new ATOM 1780 N PRO A 118 16.149 6.841 2.554 1.00 0.00 N ATOM 1781 CA PRO A 118 16.681 7.061 3.902 1.00 0.00 C ATOM 1782 C PRO A 118 18.074 7.680 3.882 1.00 0.00 C ATOM 1783 O PRO A 118 18.597 8.021 2.821 1.00 0.00 O ATOM 1784 CB PRO A 118 16.731 5.651 4.497 1.00 0.00 C ATOM 1785 CG PRO A 118 16.842 4.746 3.319 1.00 0.00 C ATOM 1786 CD PRO A 118 16.071 5.411 2.212 1.00 0.00 C ATOM 0 HA PRO A 118 16.069 7.759 4.473 1.00 0.00 H new ATOM 0 HB2 PRO A 118 17.582 5.534 5.167 1.00 0.00 H new ATOM 0 HB3 PRO A 118 15.835 5.435 5.079 1.00 0.00 H new ATOM 0 HG2 PRO A 118 17.884 4.600 3.036 1.00 0.00 H new ATOM 0 HG3 PRO A 118 16.432 3.761 3.543 1.00 0.00 H new ATOM 0 HD2 PRO A 118 16.512 5.207 1.236 1.00 0.00 H new ATOM 0 HD3 PRO A 118 15.039 5.062 2.175 1.00 0.00 H new ATOM 1794 N SER A 119 18.671 7.822 5.061 1.00 0.00 N ATOM 1795 CA SER A 119 20.003 8.404 5.179 1.00 0.00 C ATOM 1796 C SER A 119 21.014 7.358 5.639 1.00 0.00 C ATOM 1797 O SER A 119 20.714 6.522 6.491 1.00 0.00 O ATOM 1798 CB SER A 119 19.985 9.579 6.158 1.00 0.00 C ATOM 1799 OG SER A 119 21.195 10.313 6.097 1.00 0.00 O ATOM 0 H SER A 119 18.253 7.542 5.948 1.00 0.00 H new ATOM 0 HA SER A 119 20.303 8.766 4.195 1.00 0.00 H new ATOM 0 HB2 SER A 119 19.146 10.235 5.927 1.00 0.00 H new ATOM 0 HB3 SER A 119 19.831 9.209 7.172 1.00 0.00 H new ATOM 0 HG SER A 119 21.157 11.059 6.731 1.00 0.00 H new ATOM 1805 N SER A 120 22.213 7.413 5.070 1.00 0.00 N ATOM 1806 CA SER A 120 23.269 6.469 5.418 1.00 0.00 C ATOM 1807 C SER A 120 23.633 6.582 6.895 1.00 0.00 C ATOM 1808 O SER A 120 23.718 5.579 7.604 1.00 0.00 O ATOM 1809 CB SER A 120 24.508 6.715 4.556 1.00 0.00 C ATOM 1810 OG SER A 120 24.905 8.075 4.611 1.00 0.00 O ATOM 0 H SER A 120 22.478 8.101 4.366 1.00 0.00 H new ATOM 0 HA SER A 120 22.898 5.462 5.228 1.00 0.00 H new ATOM 0 HB2 SER A 120 25.325 6.080 4.898 1.00 0.00 H new ATOM 0 HB3 SER A 120 24.298 6.435 3.524 1.00 0.00 H new ATOM 0 HG SER A 120 25.700 8.207 4.053 1.00 0.00 H new ATOM 1816 N GLY A 121 23.846 7.811 7.354 1.00 0.00 N ATOM 1817 CA GLY A 121 24.198 8.034 8.744 1.00 0.00 C ATOM 1818 C GLY A 121 25.394 8.953 8.899 1.00 0.00 C ATOM 1819 O GLY A 121 25.314 10.143 8.597 1.00 0.00 O ATOM 0 H GLY A 121 23.781 8.657 6.788 1.00 0.00 H new ATOM 0 HA2 GLY A 121 23.344 8.463 9.268 1.00 0.00 H new ATOM 0 HA3 GLY A 121 24.415 7.077 9.219 1.00 0.00 H new TER 1823 GLY A 121