USER MOD reduce.3.24.130724 H: found=0, std=0, add=729, rem=0, adj=23 USER MOD reduce.3.24.130724 removed 732 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 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Set 1.2: A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Set 2.1: A 7 GLN : amide:sc= 0.327 X(o=0.88,f=0.86) USER MOD Set 2.2: A 26 TYR OH : rot -75:sc= 0.795 USER MOD Set 2.3: A 28 THR OG1 : rot -141:sc= -0.242 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 SER OG : rot 150:sc= 0 USER MOD Single : A 12 LYS NZ :NH3+ -147:sc= 0.266 (180deg=-0.242) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 LYS NZ :NH3+ -106:sc= -0.229 (180deg=-1.74!) USER MOD Single : A 25 LYS NZ :NH3+ -154:sc= -0.419 (180deg=-1.85!) USER MOD Single : A 30 SER OG : rot 180:sc= -0.194 USER MOD Single : A 31 SER OG : rot -38:sc= 0.146 USER MOD Single : A 32 ASN : amide:sc= -0.305 K(o=-0.3,f=-1.7!) USER MOD Single : A 37 TYR OH : rot 180:sc= 0 USER MOD Single : A 38 HIS : no HD1:sc= -3.3! C(o=-3.3!,f=-4.7!) USER MOD Single : A 40 SER OG : rot 180:sc= -0.0101 USER MOD Single : A 42 ASN : amide:sc= -0.371 X(o=-0.37,f=-0.021) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -7! K(o=-7!,f=-1.4) USER MOD Single : A 47 SER OG : rot 180:sc= -0.115 USER MOD Single : A 48 THR OG1 : rot 74:sc= -1.9 USER MOD Single : A 49 HIS : no HD1:sc= -0.318 X(o=-0.32,f=-0.034) USER MOD Single : A 53 MET CE :methyl 168:sc= -12.3! (180deg=-14.2!) USER MOD Single : A 58 THR OG1 : rot -70:sc= -1.89 USER MOD Single : A 59 THR OG1 : rot 180:sc= -0.847 USER MOD Single : A 96 SER OG : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot -31:sc= 0.00674 USER MOD Single : A 98 THR OG1 : rot -53:sc= 1.19 USER MOD Single : A 101 THR OG1 : rot 180:sc= -0.113 USER MOD Single : A 103 HIS : no HD1:sc= -5.5! C(o=-5.5!,f=-7.4!) USER MOD Single : A 108 SER OG : rot -146:sc= -0.414 USER MOD Single : A 117 GLN : amide:sc= -0.944 K(o=-0.94,f=0.71) USER MOD Single : A 121 SER OG : rot 99:sc= 1.18 USER MOD Single : A 122 GLN : amide:sc= -6.29! C(o=-6.3!,f=-13!) USER MOD Single : A 126 SER OG : rot 170:sc= -0.616 USER MOD ----------------------------------------------------------------- ATOM 37 N ILE A 3 -12.394 -11.612 12.693 1.00 0.00 N ATOM 38 CA ILE A 3 -12.023 -10.285 13.162 1.00 0.00 C ATOM 39 C ILE A 3 -11.886 -9.311 11.995 1.00 0.00 C ATOM 40 O ILE A 3 -11.264 -9.633 10.980 1.00 0.00 O ATOM 41 CB ILE A 3 -10.698 -10.312 13.948 1.00 0.00 C ATOM 42 CG1 ILE A 3 -10.723 -11.417 15.008 1.00 0.00 C ATOM 43 CG2 ILE A 3 -10.437 -8.959 14.592 1.00 0.00 C ATOM 44 CD1 ILE A 3 -9.433 -12.202 15.094 1.00 0.00 C ATOM 0 HA ILE A 3 -12.821 -9.951 13.825 1.00 0.00 H new ATOM 0 HB ILE A 3 -9.887 -10.525 13.251 1.00 0.00 H new ATOM 0 HG12 ILE A 3 -10.933 -10.972 15.980 1.00 0.00 H new ATOM 0 HG13 ILE A 3 -11.542 -12.102 14.788 1.00 0.00 H new ATOM 0 HG21 ILE A 3 -9.498 -8.994 15.144 1.00 0.00 H new ATOM 0 HG22 ILE A 3 -10.375 -8.194 13.818 1.00 0.00 H new ATOM 0 HG23 ILE A 3 -11.251 -8.719 15.276 1.00 0.00 H new ATOM 0 HD11 ILE A 3 -9.523 -12.967 15.865 1.00 0.00 H new ATOM 0 HD12 ILE A 3 -9.231 -12.677 14.134 1.00 0.00 H new ATOM 0 HD13 ILE A 3 -8.613 -11.529 15.345 1.00 0.00 H new ATOM 56 N PRO A 4 -12.462 -8.102 12.115 1.00 0.00 N ATOM 57 CA PRO A 4 -12.392 -7.090 11.056 1.00 0.00 C ATOM 58 C PRO A 4 -10.962 -6.651 10.768 1.00 0.00 C ATOM 59 O PRO A 4 -10.222 -6.271 11.676 1.00 0.00 O ATOM 60 CB PRO A 4 -13.208 -5.915 11.610 1.00 0.00 C ATOM 61 CG PRO A 4 -14.028 -6.489 12.715 1.00 0.00 C ATOM 62 CD PRO A 4 -13.223 -7.623 13.280 1.00 0.00 C ATOM 0 HA PRO A 4 -12.772 -7.475 10.110 1.00 0.00 H new ATOM 0 HB2 PRO A 4 -12.556 -5.122 11.976 1.00 0.00 H new ATOM 0 HB3 PRO A 4 -13.841 -5.477 10.838 1.00 0.00 H new ATOM 0 HG2 PRO A 4 -14.235 -5.739 13.478 1.00 0.00 H new ATOM 0 HG3 PRO A 4 -14.991 -6.840 12.345 1.00 0.00 H new ATOM 0 HD2 PRO A 4 -12.565 -7.290 14.083 1.00 0.00 H new ATOM 0 HD3 PRO A 4 -13.861 -8.404 13.694 1.00 0.00 H new ATOM 70 N ILE A 5 -10.586 -6.702 9.497 1.00 0.00 N ATOM 71 CA ILE A 5 -9.245 -6.304 9.078 1.00 0.00 C ATOM 72 C ILE A 5 -9.217 -4.838 8.641 1.00 0.00 C ATOM 73 O ILE A 5 -8.158 -4.212 8.613 1.00 0.00 O ATOM 74 CB ILE A 5 -8.727 -7.190 7.930 1.00 0.00 C ATOM 75 CG1 ILE A 5 -8.837 -8.668 8.314 1.00 0.00 C ATOM 76 CG2 ILE A 5 -7.288 -6.832 7.586 1.00 0.00 C ATOM 77 CD1 ILE A 5 -8.023 -9.035 9.535 1.00 0.00 C ATOM 0 H ILE A 5 -11.190 -7.015 8.737 1.00 0.00 H new ATOM 0 HA ILE A 5 -8.591 -6.432 9.941 1.00 0.00 H new ATOM 0 HB ILE A 5 -9.342 -7.013 7.048 1.00 0.00 H new ATOM 0 HG12 ILE A 5 -9.884 -8.911 8.498 1.00 0.00 H new ATOM 0 HG13 ILE A 5 -8.511 -9.279 7.472 1.00 0.00 H new ATOM 0 HG21 ILE A 5 -6.939 -7.468 6.773 1.00 0.00 H new ATOM 0 HG22 ILE A 5 -7.237 -5.788 7.277 1.00 0.00 H new ATOM 0 HG23 ILE A 5 -6.656 -6.983 8.461 1.00 0.00 H new ATOM 0 HD11 ILE A 5 -8.148 -10.096 9.750 1.00 0.00 H new ATOM 0 HD12 ILE A 5 -6.970 -8.824 9.347 1.00 0.00 H new ATOM 0 HD13 ILE A 5 -8.364 -8.450 10.389 1.00 0.00 H new ATOM 89 N LYS A 6 -10.389 -4.298 8.320 1.00 0.00 N ATOM 90 CA LYS A 6 -10.519 -2.904 7.904 1.00 0.00 C ATOM 91 C LYS A 6 -11.959 -2.618 7.541 1.00 0.00 C ATOM 92 O LYS A 6 -12.454 -3.106 6.541 1.00 0.00 O ATOM 93 CB LYS A 6 -9.633 -2.591 6.688 1.00 0.00 C ATOM 94 CG LYS A 6 -8.699 -1.406 6.878 1.00 0.00 C ATOM 95 CD LYS A 6 -7.852 -1.538 8.137 1.00 0.00 C ATOM 96 CE LYS A 6 -7.447 -0.177 8.680 1.00 0.00 C ATOM 97 NZ LYS A 6 -7.555 -0.115 10.164 1.00 0.00 N ATOM 0 H LYS A 6 -11.271 -4.810 8.340 1.00 0.00 H new ATOM 0 HA LYS A 6 -10.199 -2.277 8.737 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -9.038 -3.473 6.451 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -10.274 -2.399 5.827 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -8.046 -1.318 6.010 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.285 -0.488 6.931 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.411 -2.083 8.898 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -6.959 -2.124 7.917 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -6.422 0.042 8.381 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -8.079 0.593 8.238 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -7.270 0.829 10.494 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -8.538 -0.299 10.448 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -6.932 -0.832 10.588 1.00 0.00 H new ATOM 111 N GLN A 7 -12.628 -1.825 8.343 1.00 0.00 N ATOM 112 CA GLN A 7 -14.015 -1.486 8.068 1.00 0.00 C ATOM 113 C GLN A 7 -14.214 0.023 8.133 1.00 0.00 C ATOM 114 O GLN A 7 -14.026 0.639 9.181 1.00 0.00 O ATOM 115 CB GLN A 7 -14.944 -2.190 9.063 1.00 0.00 C ATOM 116 CG GLN A 7 -16.374 -1.671 9.045 1.00 0.00 C ATOM 117 CD GLN A 7 -17.284 -2.438 9.985 1.00 0.00 C ATOM 118 OE1 GLN A 7 -18.036 -3.316 9.562 1.00 0.00 O ATOM 119 NE2 GLN A 7 -17.220 -2.109 11.271 1.00 0.00 N ATOM 0 H GLN A 7 -12.243 -1.402 9.187 1.00 0.00 H new ATOM 0 HA GLN A 7 -14.263 -1.826 7.062 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -14.953 -3.258 8.844 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -14.538 -2.074 10.068 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -16.378 -0.617 9.321 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -16.768 -1.736 8.031 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -16.582 -1.375 11.578 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -17.809 -2.591 11.951 1.00 0.00 H new ATOM 128 N SER A 8 -14.591 0.615 7.007 1.00 0.00 N ATOM 129 CA SER A 8 -14.810 2.056 6.946 1.00 0.00 C ATOM 130 C SER A 8 -15.415 2.465 5.609 1.00 0.00 C ATOM 131 O SER A 8 -15.746 1.620 4.778 1.00 0.00 O ATOM 132 CB SER A 8 -13.491 2.799 7.172 1.00 0.00 C ATOM 133 OG SER A 8 -12.568 2.528 6.131 1.00 0.00 O ATOM 0 H SER A 8 -14.751 0.124 6.128 1.00 0.00 H new ATOM 0 HA SER A 8 -15.514 2.324 7.734 1.00 0.00 H new ATOM 0 HB2 SER A 8 -13.679 3.871 7.226 1.00 0.00 H new ATOM 0 HB3 SER A 8 -13.062 2.502 8.129 1.00 0.00 H new ATOM 0 HG SER A 8 -11.981 3.302 6.005 1.00 0.00 H new ATOM 139 N PHE A 9 -15.561 3.773 5.413 1.00 0.00 N ATOM 140 CA PHE A 9 -16.131 4.303 4.181 1.00 0.00 C ATOM 141 C PHE A 9 -15.066 4.437 3.098 1.00 0.00 C ATOM 142 O PHE A 9 -13.967 4.927 3.352 1.00 0.00 O ATOM 143 CB PHE A 9 -16.786 5.663 4.438 1.00 0.00 C ATOM 144 CG PHE A 9 -17.527 5.740 5.744 1.00 0.00 C ATOM 145 CD1 PHE A 9 -18.527 4.828 6.042 1.00 0.00 C ATOM 146 CD2 PHE A 9 -17.222 6.722 6.671 1.00 0.00 C ATOM 147 CE1 PHE A 9 -19.208 4.895 7.242 1.00 0.00 C ATOM 148 CE2 PHE A 9 -17.901 6.795 7.873 1.00 0.00 C ATOM 149 CZ PHE A 9 -18.896 5.879 8.159 1.00 0.00 C ATOM 0 H PHE A 9 -15.292 4.484 6.093 1.00 0.00 H new ATOM 0 HA PHE A 9 -16.889 3.601 3.834 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -16.017 6.436 4.420 1.00 0.00 H new ATOM 0 HB3 PHE A 9 -17.477 5.883 3.625 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -18.777 4.057 5.328 1.00 0.00 H new ATOM 0 HD2 PHE A 9 -16.445 7.439 6.453 1.00 0.00 H new ATOM 0 HE1 PHE A 9 -19.985 4.178 7.463 1.00 0.00 H new ATOM 0 HE2 PHE A 9 -17.654 7.566 8.587 1.00 0.00 H new ATOM 0 HZ PHE A 9 -19.428 5.933 9.097 1.00 0.00 H new ATOM 159 N LEU A 10 -15.405 4.002 1.890 1.00 0.00 N ATOM 160 CA LEU A 10 -14.481 4.077 0.763 1.00 0.00 C ATOM 161 C LEU A 10 -15.131 4.784 -0.418 1.00 0.00 C ATOM 162 O LEU A 10 -16.348 4.740 -0.585 1.00 0.00 O ATOM 163 CB LEU A 10 -14.036 2.676 0.341 1.00 0.00 C ATOM 164 CG LEU A 10 -12.792 2.150 1.056 1.00 0.00 C ATOM 165 CD1 LEU A 10 -13.144 1.684 2.459 1.00 0.00 C ATOM 166 CD2 LEU A 10 -12.156 1.015 0.260 1.00 0.00 C ATOM 0 H LEU A 10 -16.312 3.594 1.665 1.00 0.00 H new ATOM 0 HA LEU A 10 -13.608 4.648 1.080 1.00 0.00 H new ATOM 0 HB2 LEU A 10 -14.858 1.982 0.516 1.00 0.00 H new ATOM 0 HB3 LEU A 10 -13.845 2.680 -0.732 1.00 0.00 H new ATOM 0 HG LEU A 10 -12.069 2.962 1.132 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -12.247 1.312 2.955 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -13.553 2.519 3.028 1.00 0.00 H new ATOM 0 HD13 LEU A 10 -13.884 0.886 2.402 1.00 0.00 H new ATOM 0 HD21 LEU A 10 -11.272 0.653 0.785 1.00 0.00 H new ATOM 0 HD22 LEU A 10 -12.872 0.200 0.152 1.00 0.00 H new ATOM 0 HD23 LEU A 10 -11.869 1.379 -0.727 1.00 0.00 H new ATOM 178 N LEU A 11 -14.313 5.429 -1.239 1.00 0.00 N ATOM 179 CA LEU A 11 -14.824 6.137 -2.408 1.00 0.00 C ATOM 180 C LEU A 11 -14.944 5.187 -3.598 1.00 0.00 C ATOM 181 O LEU A 11 -14.077 4.344 -3.817 1.00 0.00 O ATOM 182 CB LEU A 11 -13.913 7.317 -2.759 1.00 0.00 C ATOM 183 CG LEU A 11 -14.584 8.691 -2.696 1.00 0.00 C ATOM 184 CD1 LEU A 11 -15.135 8.955 -1.304 1.00 0.00 C ATOM 185 CD2 LEU A 11 -13.603 9.781 -3.100 1.00 0.00 C ATOM 0 H LEU A 11 -13.301 5.478 -1.120 1.00 0.00 H new ATOM 0 HA LEU A 11 -15.816 6.522 -2.171 1.00 0.00 H new ATOM 0 HB2 LEU A 11 -13.061 7.314 -2.079 1.00 0.00 H new ATOM 0 HB3 LEU A 11 -13.520 7.167 -3.764 1.00 0.00 H new ATOM 0 HG LEU A 11 -15.417 8.700 -3.399 1.00 0.00 H new ATOM 0 HD11 LEU A 11 -15.608 9.937 -1.280 1.00 0.00 H new ATOM 0 HD12 LEU A 11 -15.871 8.191 -1.053 1.00 0.00 H new ATOM 0 HD13 LEU A 11 -14.321 8.926 -0.579 1.00 0.00 H new ATOM 0 HD21 LEU A 11 -14.097 10.752 -3.050 1.00 0.00 H new ATOM 0 HD22 LEU A 11 -12.750 9.772 -2.422 1.00 0.00 H new ATOM 0 HD23 LEU A 11 -13.259 9.601 -4.119 1.00 0.00 H new ATOM 197 N LYS A 12 -16.028 5.326 -4.358 1.00 0.00 N ATOM 198 CA LYS A 12 -16.259 4.474 -5.522 1.00 0.00 C ATOM 199 C LYS A 12 -16.603 5.302 -6.756 1.00 0.00 C ATOM 200 O LYS A 12 -17.694 5.863 -6.854 1.00 0.00 O ATOM 201 CB LYS A 12 -17.389 3.483 -5.234 1.00 0.00 C ATOM 202 CG LYS A 12 -17.714 2.565 -6.404 1.00 0.00 C ATOM 203 CD LYS A 12 -16.716 1.422 -6.514 1.00 0.00 C ATOM 204 CE LYS A 12 -15.847 1.556 -7.754 1.00 0.00 C ATOM 205 NZ LYS A 12 -16.643 1.437 -9.007 1.00 0.00 N ATOM 0 H LYS A 12 -16.758 6.018 -4.190 1.00 0.00 H new ATOM 0 HA LYS A 12 -15.338 3.927 -5.723 1.00 0.00 H new ATOM 0 HB2 LYS A 12 -17.115 2.875 -4.372 1.00 0.00 H new ATOM 0 HB3 LYS A 12 -18.286 4.039 -4.960 1.00 0.00 H new ATOM 0 HG2 LYS A 12 -18.719 2.161 -6.282 1.00 0.00 H new ATOM 0 HG3 LYS A 12 -17.712 3.140 -7.330 1.00 0.00 H new ATOM 0 HD2 LYS A 12 -16.084 1.403 -5.626 1.00 0.00 H new ATOM 0 HD3 LYS A 12 -17.251 0.473 -6.545 1.00 0.00 H new ATOM 0 HE2 LYS A 12 -15.338 2.520 -7.738 1.00 0.00 H new ATOM 0 HE3 LYS A 12 -15.075 0.787 -7.741 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 -16.065 0.986 -9.744 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 -17.488 0.858 -8.828 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 -16.933 2.384 -9.325 1.00 0.00 H new ATOM 219 N ARG A 13 -15.667 5.366 -7.701 1.00 0.00 N ATOM 220 CA ARG A 13 -15.875 6.119 -8.933 1.00 0.00 C ATOM 221 C ARG A 13 -17.089 5.595 -9.692 1.00 0.00 C ATOM 222 O ARG A 13 -17.390 4.403 -9.653 1.00 0.00 O ATOM 223 CB ARG A 13 -14.631 6.035 -9.820 1.00 0.00 C ATOM 224 CG ARG A 13 -14.251 4.614 -10.205 1.00 0.00 C ATOM 225 CD ARG A 13 -13.424 4.585 -11.479 1.00 0.00 C ATOM 226 NE ARG A 13 -13.797 3.469 -12.347 1.00 0.00 N ATOM 227 CZ ARG A 13 -14.961 3.387 -12.987 1.00 0.00 C ATOM 228 NH1 ARG A 13 -15.866 4.351 -12.861 1.00 0.00 N ATOM 229 NH2 ARG A 13 -15.222 2.339 -13.756 1.00 0.00 N ATOM 0 H ARG A 13 -14.759 4.906 -7.636 1.00 0.00 H new ATOM 0 HA ARG A 13 -16.056 7.161 -8.668 1.00 0.00 H new ATOM 0 HB2 ARG A 13 -14.802 6.614 -10.727 1.00 0.00 H new ATOM 0 HB3 ARG A 13 -13.792 6.498 -9.300 1.00 0.00 H new ATOM 0 HG2 ARG A 13 -13.687 4.154 -9.393 1.00 0.00 H new ATOM 0 HG3 ARG A 13 -15.154 4.019 -10.342 1.00 0.00 H new ATOM 0 HD2 ARG A 13 -13.555 5.523 -12.018 1.00 0.00 H new ATOM 0 HD3 ARG A 13 -12.367 4.509 -11.224 1.00 0.00 H new ATOM 0 HE ARG A 13 -13.127 2.710 -12.469 1.00 0.00 H new ATOM 0 HH11 ARG A 13 -15.671 5.160 -12.271 1.00 0.00 H new ATOM 0 HH12 ARG A 13 -16.756 4.282 -13.354 1.00 0.00 H new ATOM 0 HH21 ARG A 13 -14.531 1.596 -13.857 1.00 0.00 H new ATOM 0 HH22 ARG A 13 -16.114 2.276 -14.247 1.00 0.00 H new ATOM 319 N LYS A 20 -14.046 11.294 -13.687 1.00 0.00 N ATOM 320 CA LYS A 20 -14.274 10.421 -12.542 1.00 0.00 C ATOM 321 C LYS A 20 -15.236 11.061 -11.544 1.00 0.00 C ATOM 322 O LYS A 20 -15.426 12.278 -11.537 1.00 0.00 O ATOM 323 CB LYS A 20 -12.950 10.085 -11.857 1.00 0.00 C ATOM 324 CG LYS A 20 -12.517 8.642 -12.064 1.00 0.00 C ATOM 325 CD LYS A 20 -11.171 8.369 -11.421 1.00 0.00 C ATOM 326 CE LYS A 20 -10.317 7.452 -12.284 1.00 0.00 C ATOM 327 NZ LYS A 20 -8.935 7.305 -11.746 1.00 0.00 N ATOM 0 HA LYS A 20 -14.727 9.500 -12.907 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.173 10.749 -12.237 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -13.041 10.280 -10.789 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -13.266 7.972 -11.642 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -12.462 8.427 -13.131 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.646 9.311 -11.259 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.320 7.914 -10.442 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.788 6.471 -12.346 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.271 7.848 -13.298 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.387 6.672 -12.364 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -8.475 8.237 -11.710 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -8.976 6.903 -10.788 1.00 0.00 H new ATOM 341 N GLU A 21 -15.835 10.226 -10.705 1.00 0.00 N ATOM 342 CA GLU A 21 -16.775 10.684 -9.692 1.00 0.00 C ATOM 343 C GLU A 21 -16.991 9.591 -8.658 1.00 0.00 C ATOM 344 O GLU A 21 -17.755 8.651 -8.877 1.00 0.00 O ATOM 345 CB GLU A 21 -18.108 11.081 -10.330 1.00 0.00 C ATOM 346 CG GLU A 21 -18.907 12.071 -9.500 1.00 0.00 C ATOM 347 CD GLU A 21 -20.158 12.552 -10.210 1.00 0.00 C ATOM 348 OE1 GLU A 21 -20.917 11.701 -10.721 1.00 0.00 O ATOM 349 OE2 GLU A 21 -20.379 13.781 -10.256 1.00 0.00 O ATOM 0 H GLU A 21 -15.684 9.217 -10.708 1.00 0.00 H new ATOM 0 HA GLU A 21 -16.358 11.563 -9.201 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -17.917 11.514 -11.312 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -18.707 10.184 -10.488 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.186 11.605 -8.555 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -18.278 12.928 -9.259 1.00 0.00 H new ATOM 356 N TRP A 22 -16.291 9.712 -7.541 1.00 0.00 N ATOM 357 CA TRP A 22 -16.374 8.730 -6.473 1.00 0.00 C ATOM 358 C TRP A 22 -17.420 9.119 -5.435 1.00 0.00 C ATOM 359 O TRP A 22 -17.480 10.268 -4.997 1.00 0.00 O ATOM 360 CB TRP A 22 -15.009 8.571 -5.803 1.00 0.00 C ATOM 361 CG TRP A 22 -13.878 8.419 -6.777 1.00 0.00 C ATOM 362 CD1 TRP A 22 -13.522 9.291 -7.768 1.00 0.00 C ATOM 363 CD2 TRP A 22 -12.954 7.327 -6.851 1.00 0.00 C ATOM 364 NE1 TRP A 22 -12.434 8.807 -8.452 1.00 0.00 N ATOM 365 CE2 TRP A 22 -12.068 7.604 -7.908 1.00 0.00 C ATOM 366 CE3 TRP A 22 -12.788 6.142 -6.127 1.00 0.00 C ATOM 367 CZ2 TRP A 22 -11.035 6.739 -8.255 1.00 0.00 C ATOM 368 CZ3 TRP A 22 -11.761 5.287 -6.477 1.00 0.00 C ATOM 369 CH2 TRP A 22 -10.901 5.592 -7.529 1.00 0.00 C ATOM 0 H TRP A 22 -15.655 10.486 -7.351 1.00 0.00 H new ATOM 0 HA TRP A 22 -16.677 7.780 -6.914 1.00 0.00 H new ATOM 0 HB2 TRP A 22 -14.820 9.439 -5.171 1.00 0.00 H new ATOM 0 HB3 TRP A 22 -15.034 7.700 -5.148 1.00 0.00 H new ATOM 0 HD1 TRP A 22 -14.023 10.224 -7.982 1.00 0.00 H new ATOM 0 HE1 TRP A 22 -11.974 9.268 -9.237 1.00 0.00 H new ATOM 0 HE3 TRP A 22 -13.451 5.900 -5.309 1.00 0.00 H new ATOM 0 HZ2 TRP A 22 -10.364 6.967 -9.070 1.00 0.00 H new ATOM 0 HZ3 TRP A 22 -11.623 4.368 -5.926 1.00 0.00 H new ATOM 0 HH2 TRP A 22 -10.107 4.903 -7.776 1.00 0.00 H new ATOM 380 N LYS A 23 -18.232 8.147 -5.038 1.00 0.00 N ATOM 381 CA LYS A 23 -19.271 8.373 -4.042 1.00 0.00 C ATOM 382 C LYS A 23 -18.918 7.655 -2.744 1.00 0.00 C ATOM 383 O LYS A 23 -18.197 6.658 -2.754 1.00 0.00 O ATOM 384 CB LYS A 23 -20.625 7.886 -4.564 1.00 0.00 C ATOM 385 CG LYS A 23 -21.757 8.875 -4.335 1.00 0.00 C ATOM 386 CD LYS A 23 -22.081 9.656 -5.598 1.00 0.00 C ATOM 387 CE LYS A 23 -21.061 10.754 -5.851 1.00 0.00 C ATOM 388 NZ LYS A 23 -21.513 11.697 -6.912 1.00 0.00 N ATOM 0 H LYS A 23 -18.190 7.191 -5.392 1.00 0.00 H new ATOM 0 HA LYS A 23 -19.339 9.443 -3.846 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -20.542 7.683 -5.632 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -20.874 6.942 -4.078 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -22.646 8.341 -3.999 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -21.481 9.567 -3.539 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -22.105 8.977 -6.451 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -23.075 10.094 -5.511 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -20.883 11.305 -4.927 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -20.111 10.307 -6.143 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -20.790 12.431 -7.055 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -21.658 11.176 -7.800 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -22.407 12.143 -6.622 1.00 0.00 H new ATOM 402 N LYS A 24 -19.423 8.166 -1.628 1.00 0.00 N ATOM 403 CA LYS A 24 -19.148 7.567 -0.328 1.00 0.00 C ATOM 404 C LYS A 24 -19.709 6.150 -0.251 1.00 0.00 C ATOM 405 O LYS A 24 -20.914 5.937 -0.382 1.00 0.00 O ATOM 406 CB LYS A 24 -19.732 8.428 0.792 1.00 0.00 C ATOM 407 CG LYS A 24 -18.831 8.532 2.013 1.00 0.00 C ATOM 408 CD LYS A 24 -17.440 9.021 1.642 1.00 0.00 C ATOM 409 CE LYS A 24 -16.774 9.735 2.806 1.00 0.00 C ATOM 410 NZ LYS A 24 -15.830 8.844 3.537 1.00 0.00 N ATOM 0 H LYS A 24 -20.023 8.990 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 24 -18.067 7.514 -0.203 1.00 0.00 H new ATOM 0 HB2 LYS A 24 -19.924 9.429 0.406 1.00 0.00 H new ATOM 0 HB3 LYS A 24 -20.693 8.013 1.095 1.00 0.00 H new ATOM 0 HG2 LYS A 24 -19.276 9.214 2.737 1.00 0.00 H new ATOM 0 HG3 LYS A 24 -18.758 7.558 2.496 1.00 0.00 H new ATOM 0 HD2 LYS A 24 -16.826 8.175 1.333 1.00 0.00 H new ATOM 0 HD3 LYS A 24 -17.506 9.696 0.789 1.00 0.00 H new ATOM 0 HE2 LYS A 24 -16.237 10.608 2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 24 -17.537 10.098 3.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 24 -16.251 8.563 4.446 1.00 0.00 H new ATOM 0 HZ2 LYS A 24 -15.641 7.995 2.966 1.00 0.00 H new ATOM 0 HZ3 LYS A 24 -14.938 9.350 3.710 1.00 0.00 H new ATOM 424 N LYS A 25 -18.820 5.186 -0.033 1.00 0.00 N ATOM 425 CA LYS A 25 -19.210 3.786 0.066 1.00 0.00 C ATOM 426 C LYS A 25 -18.882 3.236 1.449 1.00 0.00 C ATOM 427 O LYS A 25 -18.406 3.963 2.319 1.00 0.00 O ATOM 428 CB LYS A 25 -18.500 2.959 -1.009 1.00 0.00 C ATOM 429 CG LYS A 25 -19.447 2.115 -1.847 1.00 0.00 C ATOM 430 CD LYS A 25 -19.495 2.593 -3.290 1.00 0.00 C ATOM 431 CE LYS A 25 -20.899 2.500 -3.863 1.00 0.00 C ATOM 432 NZ LYS A 25 -20.949 2.930 -5.287 1.00 0.00 N ATOM 0 H LYS A 25 -17.820 5.351 0.079 1.00 0.00 H new ATOM 0 HA LYS A 25 -20.287 3.718 -0.090 1.00 0.00 H new ATOM 0 HB2 LYS A 25 -17.946 3.630 -1.666 1.00 0.00 H new ATOM 0 HB3 LYS A 25 -17.770 2.306 -0.531 1.00 0.00 H new ATOM 0 HG2 LYS A 25 -19.128 1.073 -1.819 1.00 0.00 H new ATOM 0 HG3 LYS A 25 -20.448 2.154 -1.417 1.00 0.00 H new ATOM 0 HD2 LYS A 25 -19.147 3.624 -3.344 1.00 0.00 H new ATOM 0 HD3 LYS A 25 -18.814 1.995 -3.895 1.00 0.00 H new ATOM 0 HE2 LYS A 25 -21.257 1.474 -3.781 1.00 0.00 H new ATOM 0 HE3 LYS A 25 -21.573 3.121 -3.273 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 -21.904 3.273 -5.513 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 -20.261 3.694 -5.443 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 -20.717 2.124 -5.901 1.00 0.00 H new ATOM 446 N TYR A 26 -19.142 1.948 1.644 1.00 0.00 N ATOM 447 CA TYR A 26 -18.876 1.297 2.919 1.00 0.00 C ATOM 448 C TYR A 26 -18.282 -0.088 2.693 1.00 0.00 C ATOM 449 O TYR A 26 -18.940 -0.964 2.139 1.00 0.00 O ATOM 450 CB TYR A 26 -20.171 1.190 3.727 1.00 0.00 C ATOM 451 CG TYR A 26 -19.981 0.646 5.123 1.00 0.00 C ATOM 452 CD1 TYR A 26 -19.891 -0.720 5.348 1.00 0.00 C ATOM 453 CD2 TYR A 26 -19.901 1.500 6.215 1.00 0.00 C ATOM 454 CE1 TYR A 26 -19.725 -1.221 6.625 1.00 0.00 C ATOM 455 CE2 TYR A 26 -19.734 1.007 7.494 1.00 0.00 C ATOM 456 CZ TYR A 26 -19.648 -0.354 7.694 1.00 0.00 C ATOM 457 OH TYR A 26 -19.481 -0.850 8.968 1.00 0.00 O ATOM 0 H TYR A 26 -19.538 1.334 0.932 1.00 0.00 H new ATOM 0 HA TYR A 26 -18.156 1.896 3.477 1.00 0.00 H new ATOM 0 HB2 TYR A 26 -20.629 2.177 3.792 1.00 0.00 H new ATOM 0 HB3 TYR A 26 -20.870 0.549 3.190 1.00 0.00 H new ATOM 0 HD1 TYR A 26 -19.952 -1.402 4.513 1.00 0.00 H new ATOM 0 HD2 TYR A 26 -19.970 2.567 6.062 1.00 0.00 H new ATOM 0 HE1 TYR A 26 -19.656 -2.287 6.785 1.00 0.00 H new ATOM 0 HE2 TYR A 26 -19.671 1.684 8.333 1.00 0.00 H new ATOM 0 HH TYR A 26 -20.326 -1.234 9.283 1.00 0.00 H new ATOM 467 N VAL A 27 -17.035 -0.279 3.112 1.00 0.00 N ATOM 468 CA VAL A 27 -16.362 -1.563 2.932 1.00 0.00 C ATOM 469 C VAL A 27 -15.907 -2.150 4.255 1.00 0.00 C ATOM 470 O VAL A 27 -15.514 -1.424 5.168 1.00 0.00 O ATOM 471 CB VAL A 27 -15.118 -1.443 2.024 1.00 0.00 C ATOM 472 CG1 VAL A 27 -14.826 -2.775 1.350 1.00 0.00 C ATOM 473 CG2 VAL A 27 -15.304 -0.349 0.985 1.00 0.00 C ATOM 0 H VAL A 27 -16.472 0.434 3.576 1.00 0.00 H new ATOM 0 HA VAL A 27 -17.100 -2.215 2.465 1.00 0.00 H new ATOM 0 HB VAL A 27 -14.266 -1.172 2.648 1.00 0.00 H new ATOM 0 HG11 VAL A 27 -13.947 -2.676 0.713 1.00 0.00 H new ATOM 0 HG12 VAL A 27 -14.640 -3.534 2.110 1.00 0.00 H new ATOM 0 HG13 VAL A 27 -15.682 -3.071 0.743 1.00 0.00 H new ATOM 0 HG21 VAL A 27 -14.414 -0.286 0.359 1.00 0.00 H new ATOM 0 HG22 VAL A 27 -16.169 -0.581 0.363 1.00 0.00 H new ATOM 0 HG23 VAL A 27 -15.463 0.606 1.486 1.00 0.00 H new ATOM 483 N THR A 28 -15.920 -3.476 4.337 1.00 0.00 N ATOM 484 CA THR A 28 -15.463 -4.158 5.533 1.00 0.00 C ATOM 485 C THR A 28 -14.637 -5.385 5.181 1.00 0.00 C ATOM 486 O THR A 28 -15.166 -6.395 4.710 1.00 0.00 O ATOM 487 CB THR A 28 -16.624 -4.586 6.429 1.00 0.00 C ATOM 488 OG1 THR A 28 -17.414 -3.472 6.804 1.00 0.00 O ATOM 489 CG2 THR A 28 -16.149 -5.274 7.699 1.00 0.00 C ATOM 0 H THR A 28 -16.241 -4.094 3.591 1.00 0.00 H new ATOM 0 HA THR A 28 -14.847 -3.443 6.077 1.00 0.00 H new ATOM 0 HB THR A 28 -17.213 -5.289 5.841 1.00 0.00 H new ATOM 0 HG1 THR A 28 -17.701 -3.573 7.736 1.00 0.00 H new ATOM 0 HG21 THR A 28 -17.011 -5.559 8.302 1.00 0.00 H new ATOM 0 HG22 THR A 28 -15.578 -6.165 7.438 1.00 0.00 H new ATOM 0 HG23 THR A 28 -15.517 -4.592 8.268 1.00 0.00 H new ATOM 497 N LEU A 29 -13.347 -5.305 5.453 1.00 0.00 N ATOM 498 CA LEU A 29 -12.446 -6.408 5.222 1.00 0.00 C ATOM 499 C LEU A 29 -12.411 -7.259 6.474 1.00 0.00 C ATOM 500 O LEU A 29 -11.987 -6.792 7.529 1.00 0.00 O ATOM 501 CB LEU A 29 -11.045 -5.905 4.885 1.00 0.00 C ATOM 502 CG LEU A 29 -10.439 -6.518 3.629 1.00 0.00 C ATOM 503 CD1 LEU A 29 -10.287 -8.020 3.798 1.00 0.00 C ATOM 504 CD2 LEU A 29 -11.300 -6.198 2.417 1.00 0.00 C ATOM 0 H LEU A 29 -12.900 -4.473 5.839 1.00 0.00 H new ATOM 0 HA LEU A 29 -12.796 -6.997 4.374 1.00 0.00 H new ATOM 0 HB2 LEU A 29 -11.081 -4.822 4.765 1.00 0.00 H new ATOM 0 HB3 LEU A 29 -10.386 -6.111 5.729 1.00 0.00 H new ATOM 0 HG LEU A 29 -9.450 -6.088 3.470 1.00 0.00 H new ATOM 0 HD11 LEU A 29 -9.853 -8.446 2.893 1.00 0.00 H new ATOM 0 HD12 LEU A 29 -9.634 -8.226 4.646 1.00 0.00 H new ATOM 0 HD13 LEU A 29 -11.265 -8.467 3.976 1.00 0.00 H new ATOM 0 HD21 LEU A 29 -10.855 -6.642 1.527 1.00 0.00 H new ATOM 0 HD22 LEU A 29 -12.301 -6.605 2.564 1.00 0.00 H new ATOM 0 HD23 LEU A 29 -11.363 -5.117 2.290 1.00 0.00 H new ATOM 516 N SER A 30 -12.882 -8.489 6.365 1.00 0.00 N ATOM 517 CA SER A 30 -12.924 -9.383 7.512 1.00 0.00 C ATOM 518 C SER A 30 -11.841 -10.444 7.425 1.00 0.00 C ATOM 519 O SER A 30 -11.296 -10.708 6.353 1.00 0.00 O ATOM 520 CB SER A 30 -14.297 -10.051 7.615 1.00 0.00 C ATOM 521 OG SER A 30 -14.293 -11.076 8.594 1.00 0.00 O ATOM 0 H SER A 30 -13.240 -8.891 5.499 1.00 0.00 H new ATOM 0 HA SER A 30 -12.746 -8.785 8.406 1.00 0.00 H new ATOM 0 HB2 SER A 30 -15.050 -9.305 7.868 1.00 0.00 H new ATOM 0 HB3 SER A 30 -14.575 -10.469 6.647 1.00 0.00 H new ATOM 0 HG SER A 30 -15.182 -11.486 8.642 1.00 0.00 H new ATOM 527 N SER A 31 -11.537 -11.054 8.564 1.00 0.00 N ATOM 528 CA SER A 31 -10.522 -12.095 8.619 1.00 0.00 C ATOM 529 C SER A 31 -11.051 -13.416 8.047 1.00 0.00 C ATOM 530 O SER A 31 -10.342 -14.423 8.042 1.00 0.00 O ATOM 531 CB SER A 31 -10.051 -12.304 10.059 1.00 0.00 C ATOM 532 OG SER A 31 -8.811 -12.988 10.094 1.00 0.00 O ATOM 0 H SER A 31 -11.979 -10.845 9.460 1.00 0.00 H new ATOM 0 HA SER A 31 -9.679 -11.771 8.010 1.00 0.00 H new ATOM 0 HB2 SER A 31 -9.952 -11.339 10.557 1.00 0.00 H new ATOM 0 HB3 SER A 31 -10.799 -12.872 10.611 1.00 0.00 H new ATOM 0 HG SER A 31 -8.793 -13.669 9.390 1.00 0.00 H new ATOM 538 N ASN A 32 -12.295 -13.404 7.563 1.00 0.00 N ATOM 539 CA ASN A 32 -12.913 -14.598 6.992 1.00 0.00 C ATOM 540 C ASN A 32 -12.666 -14.680 5.493 1.00 0.00 C ATOM 541 O ASN A 32 -13.448 -15.285 4.758 1.00 0.00 O ATOM 542 CB ASN A 32 -14.415 -14.608 7.276 1.00 0.00 C ATOM 543 CG ASN A 32 -15.032 -15.980 7.079 1.00 0.00 C ATOM 544 OD1 ASN A 32 -14.324 -16.975 6.924 1.00 0.00 O ATOM 545 ND2 ASN A 32 -16.359 -16.038 7.083 1.00 0.00 N ATOM 0 H ASN A 32 -12.893 -12.578 7.556 1.00 0.00 H new ATOM 0 HA ASN A 32 -12.456 -15.469 7.462 1.00 0.00 H new ATOM 0 HB2 ASN A 32 -14.591 -14.277 8.300 1.00 0.00 H new ATOM 0 HB3 ASN A 32 -14.911 -13.892 6.620 1.00 0.00 H new ATOM 0 HD21 ASN A 32 -16.831 -16.933 6.954 1.00 0.00 H new ATOM 0 HD22 ASN A 32 -16.906 -15.187 7.215 1.00 0.00 H new ATOM 552 N GLY A 33 -11.580 -14.067 5.042 1.00 0.00 N ATOM 553 CA GLY A 33 -11.256 -14.080 3.630 1.00 0.00 C ATOM 554 C GLY A 33 -12.420 -13.615 2.782 1.00 0.00 C ATOM 555 O GLY A 33 -12.696 -14.184 1.726 1.00 0.00 O ATOM 0 H GLY A 33 -10.917 -13.561 5.629 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -10.395 -13.437 3.449 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -10.969 -15.089 3.332 1.00 0.00 H new ATOM 559 N PHE A 34 -13.110 -12.584 3.253 1.00 0.00 N ATOM 560 CA PHE A 34 -14.258 -12.048 2.537 1.00 0.00 C ATOM 561 C PHE A 34 -14.262 -10.525 2.557 1.00 0.00 C ATOM 562 O PHE A 34 -14.254 -9.904 3.619 1.00 0.00 O ATOM 563 CB PHE A 34 -15.555 -12.578 3.149 1.00 0.00 C ATOM 564 CG PHE A 34 -16.431 -13.281 2.160 1.00 0.00 C ATOM 565 CD1 PHE A 34 -16.675 -12.725 0.916 1.00 0.00 C ATOM 566 CD2 PHE A 34 -17.008 -14.500 2.472 1.00 0.00 C ATOM 567 CE1 PHE A 34 -17.481 -13.373 0.000 1.00 0.00 C ATOM 568 CE2 PHE A 34 -17.812 -15.154 1.560 1.00 0.00 C ATOM 569 CZ PHE A 34 -18.050 -14.590 0.321 1.00 0.00 C ATOM 0 H PHE A 34 -12.894 -12.104 4.127 1.00 0.00 H new ATOM 0 HA PHE A 34 -14.187 -12.375 1.499 1.00 0.00 H new ATOM 0 HB2 PHE A 34 -15.312 -13.264 3.961 1.00 0.00 H new ATOM 0 HB3 PHE A 34 -16.108 -11.747 3.588 1.00 0.00 H new ATOM 0 HD1 PHE A 34 -16.231 -11.775 0.659 1.00 0.00 H new ATOM 0 HD2 PHE A 34 -16.827 -14.944 3.440 1.00 0.00 H new ATOM 0 HE1 PHE A 34 -17.666 -12.928 -0.967 1.00 0.00 H new ATOM 0 HE2 PHE A 34 -18.255 -16.106 1.815 1.00 0.00 H new ATOM 0 HZ PHE A 34 -18.679 -15.099 -0.394 1.00 0.00 H new ATOM 579 N LEU A 35 -14.290 -9.930 1.371 1.00 0.00 N ATOM 580 CA LEU A 35 -14.314 -8.481 1.245 1.00 0.00 C ATOM 581 C LEU A 35 -15.734 -8.014 0.944 1.00 0.00 C ATOM 582 O LEU A 35 -16.304 -8.366 -0.086 1.00 0.00 O ATOM 583 CB LEU A 35 -13.351 -8.034 0.138 1.00 0.00 C ATOM 584 CG LEU A 35 -13.625 -6.653 -0.469 1.00 0.00 C ATOM 585 CD1 LEU A 35 -13.856 -5.613 0.619 1.00 0.00 C ATOM 586 CD2 LEU A 35 -12.476 -6.233 -1.375 1.00 0.00 C ATOM 0 H LEU A 35 -14.297 -10.431 0.482 1.00 0.00 H new ATOM 0 HA LEU A 35 -13.990 -8.032 2.184 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -12.338 -8.038 0.540 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -13.379 -8.774 -0.662 1.00 0.00 H new ATOM 0 HG LEU A 35 -14.533 -6.721 -1.068 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -14.048 -4.643 0.160 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -14.714 -5.904 1.224 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -12.971 -5.546 1.252 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -12.686 -5.251 -1.798 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -11.554 -6.189 -0.796 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -12.364 -6.958 -2.181 1.00 0.00 H new ATOM 598 N LEU A 36 -16.310 -7.234 1.851 1.00 0.00 N ATOM 599 CA LEU A 36 -17.671 -6.746 1.666 1.00 0.00 C ATOM 600 C LEU A 36 -17.701 -5.241 1.448 1.00 0.00 C ATOM 601 O LEU A 36 -16.870 -4.507 1.980 1.00 0.00 O ATOM 602 CB LEU A 36 -18.533 -7.108 2.877 1.00 0.00 C ATOM 603 CG LEU A 36 -18.289 -8.504 3.450 1.00 0.00 C ATOM 604 CD1 LEU A 36 -17.347 -8.435 4.641 1.00 0.00 C ATOM 605 CD2 LEU A 36 -19.605 -9.157 3.841 1.00 0.00 C ATOM 0 H LEU A 36 -15.861 -6.928 2.714 1.00 0.00 H new ATOM 0 HA LEU A 36 -18.074 -7.227 0.775 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -18.356 -6.373 3.663 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -19.583 -7.026 2.594 1.00 0.00 H new ATOM 0 HG LEU A 36 -17.820 -9.116 2.680 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -17.185 -9.438 5.036 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -16.394 -8.011 4.327 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -17.786 -7.807 5.416 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -19.412 -10.150 4.247 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -20.104 -8.548 4.595 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -20.244 -9.242 2.962 1.00 0.00 H new ATOM 617 N TYR A 37 -18.677 -4.789 0.667 1.00 0.00 N ATOM 618 CA TYR A 37 -18.830 -3.371 0.386 1.00 0.00 C ATOM 619 C TYR A 37 -20.256 -3.062 -0.067 1.00 0.00 C ATOM 620 O TYR A 37 -20.814 -3.751 -0.924 1.00 0.00 O ATOM 621 CB TYR A 37 -17.792 -2.910 -0.653 1.00 0.00 C ATOM 622 CG TYR A 37 -18.319 -2.736 -2.063 1.00 0.00 C ATOM 623 CD1 TYR A 37 -18.708 -3.830 -2.822 1.00 0.00 C ATOM 624 CD2 TYR A 37 -18.411 -1.474 -2.638 1.00 0.00 C ATOM 625 CE1 TYR A 37 -19.173 -3.674 -4.114 1.00 0.00 C ATOM 626 CE2 TYR A 37 -18.877 -1.308 -3.927 1.00 0.00 C ATOM 627 CZ TYR A 37 -19.256 -2.411 -4.661 1.00 0.00 C ATOM 628 OH TYR A 37 -19.719 -2.251 -5.948 1.00 0.00 O ATOM 0 H TYR A 37 -19.372 -5.386 0.219 1.00 0.00 H new ATOM 0 HA TYR A 37 -18.649 -2.812 1.304 1.00 0.00 H new ATOM 0 HB2 TYR A 37 -17.368 -1.962 -0.322 1.00 0.00 H new ATOM 0 HB3 TYR A 37 -16.977 -3.634 -0.674 1.00 0.00 H new ATOM 0 HD1 TYR A 37 -18.646 -4.821 -2.396 1.00 0.00 H new ATOM 0 HD2 TYR A 37 -18.113 -0.608 -2.066 1.00 0.00 H new ATOM 0 HE1 TYR A 37 -19.470 -4.537 -4.692 1.00 0.00 H new ATOM 0 HE2 TYR A 37 -18.944 -0.320 -4.357 1.00 0.00 H new ATOM 0 HH TYR A 37 -19.716 -1.299 -6.181 1.00 0.00 H new ATOM 638 N HIS A 38 -20.840 -2.027 0.527 1.00 0.00 N ATOM 639 CA HIS A 38 -22.201 -1.621 0.204 1.00 0.00 C ATOM 640 C HIS A 38 -22.215 -0.186 -0.320 1.00 0.00 C ATOM 641 O HIS A 38 -21.251 0.556 -0.139 1.00 0.00 O ATOM 642 CB HIS A 38 -23.107 -1.736 1.438 1.00 0.00 C ATOM 643 CG HIS A 38 -22.714 -2.822 2.398 1.00 0.00 C ATOM 644 ND1 HIS A 38 -21.469 -2.898 2.989 1.00 0.00 N ATOM 645 CD2 HIS A 38 -23.416 -3.879 2.875 1.00 0.00 C ATOM 646 CE1 HIS A 38 -21.424 -3.953 3.783 1.00 0.00 C ATOM 647 NE2 HIS A 38 -22.592 -4.565 3.730 1.00 0.00 N ATOM 0 H HIS A 38 -20.388 -1.452 1.238 1.00 0.00 H new ATOM 0 HA HIS A 38 -22.582 -2.286 -0.571 1.00 0.00 H new ATOM 0 HB2 HIS A 38 -23.104 -0.782 1.966 1.00 0.00 H new ATOM 0 HB3 HIS A 38 -24.130 -1.913 1.107 1.00 0.00 H new ATOM 0 HD2 HIS A 38 -24.436 -4.134 2.627 1.00 0.00 H new ATOM 0 HE1 HIS A 38 -20.575 -4.262 4.375 1.00 0.00 H new ATOM 0 HE2 HIS A 38 -22.841 -5.411 4.242 1.00 0.00 H new ATOM 656 N PRO A 39 -23.310 0.227 -0.985 1.00 0.00 N ATOM 657 CA PRO A 39 -23.428 1.581 -1.536 1.00 0.00 C ATOM 658 C PRO A 39 -23.537 2.651 -0.453 1.00 0.00 C ATOM 659 O PRO A 39 -23.133 3.795 -0.661 1.00 0.00 O ATOM 660 CB PRO A 39 -24.713 1.521 -2.367 1.00 0.00 C ATOM 661 CG PRO A 39 -25.506 0.412 -1.768 1.00 0.00 C ATOM 662 CD PRO A 39 -24.508 -0.590 -1.256 1.00 0.00 C ATOM 0 HA PRO A 39 -22.546 1.859 -2.113 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -25.257 2.465 -2.322 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -24.495 1.328 -3.418 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -26.139 0.779 -0.960 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -26.165 -0.039 -2.509 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -24.866 -1.089 -0.355 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -24.306 -1.368 -1.992 1.00 0.00 H new ATOM 670 N SER A 40 -24.080 2.277 0.702 1.00 0.00 N ATOM 671 CA SER A 40 -24.233 3.216 1.807 1.00 0.00 C ATOM 672 C SER A 40 -24.264 2.482 3.145 1.00 0.00 C ATOM 673 O SER A 40 -24.479 1.271 3.193 1.00 0.00 O ATOM 674 CB SER A 40 -25.512 4.038 1.636 1.00 0.00 C ATOM 675 OG SER A 40 -25.428 4.879 0.499 1.00 0.00 O ATOM 0 H SER A 40 -24.420 1.335 0.896 1.00 0.00 H new ATOM 0 HA SER A 40 -23.374 3.887 1.799 1.00 0.00 H new ATOM 0 HB2 SER A 40 -26.367 3.370 1.536 1.00 0.00 H new ATOM 0 HB3 SER A 40 -25.682 4.642 2.527 1.00 0.00 H new ATOM 0 HG SER A 40 -26.258 5.393 0.410 1.00 0.00 H new ATOM 681 N ILE A 41 -24.049 3.222 4.229 1.00 0.00 N ATOM 682 CA ILE A 41 -24.055 2.637 5.565 1.00 0.00 C ATOM 683 C ILE A 41 -25.376 1.918 5.832 1.00 0.00 C ATOM 684 O ILE A 41 -25.394 0.840 6.428 1.00 0.00 O ATOM 685 CB ILE A 41 -23.802 3.707 6.650 1.00 0.00 C ATOM 686 CG1 ILE A 41 -22.331 4.122 6.640 1.00 0.00 C ATOM 687 CG2 ILE A 41 -24.196 3.192 8.031 1.00 0.00 C ATOM 688 CD1 ILE A 41 -21.962 5.017 5.477 1.00 0.00 C ATOM 0 H ILE A 41 -23.869 4.226 4.208 1.00 0.00 H new ATOM 0 HA ILE A 41 -23.243 1.911 5.610 1.00 0.00 H new ATOM 0 HB ILE A 41 -24.421 4.576 6.425 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -22.101 4.638 7.572 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -21.710 3.227 6.610 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -24.007 3.966 8.775 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -25.255 2.935 8.035 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -23.607 2.307 8.271 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -20.904 5.271 5.535 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -22.159 4.496 4.540 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -22.557 5.929 5.517 1.00 0.00 H new ATOM 700 N ASN A 42 -26.477 2.506 5.372 1.00 0.00 N ATOM 701 CA ASN A 42 -27.793 1.903 5.549 1.00 0.00 C ATOM 702 C ASN A 42 -27.782 0.465 5.029 1.00 0.00 C ATOM 703 O ASN A 42 -28.524 -0.391 5.504 1.00 0.00 O ATOM 704 CB ASN A 42 -28.856 2.717 4.809 1.00 0.00 C ATOM 705 CG ASN A 42 -28.907 4.159 5.273 1.00 0.00 C ATOM 706 OD1 ASN A 42 -29.630 4.497 6.212 1.00 0.00 O ATOM 707 ND2 ASN A 42 -28.140 5.021 4.616 1.00 0.00 N ATOM 0 H ASN A 42 -26.483 3.397 4.875 1.00 0.00 H new ATOM 0 HA ASN A 42 -28.034 1.897 6.612 1.00 0.00 H new ATOM 0 HB2 ASN A 42 -28.651 2.690 3.739 1.00 0.00 H new ATOM 0 HB3 ASN A 42 -29.832 2.255 4.958 1.00 0.00 H new ATOM 0 HD21 ASN A 42 -28.135 6.005 4.883 1.00 0.00 H new ATOM 0 HD22 ASN A 42 -27.556 4.699 3.844 1.00 0.00 H new ATOM 714 N ASP A 43 -26.923 0.205 4.049 1.00 0.00 N ATOM 715 CA ASP A 43 -26.810 -1.126 3.476 1.00 0.00 C ATOM 716 C ASP A 43 -26.020 -2.047 4.403 1.00 0.00 C ATOM 717 O ASP A 43 -26.340 -3.225 4.540 1.00 0.00 O ATOM 718 CB ASP A 43 -26.142 -1.056 2.104 1.00 0.00 C ATOM 719 CG ASP A 43 -26.930 -0.213 1.122 1.00 0.00 C ATOM 720 OD1 ASP A 43 -27.144 0.984 1.408 1.00 0.00 O ATOM 721 OD2 ASP A 43 -27.333 -0.748 0.069 1.00 0.00 O ATOM 0 H ASP A 43 -26.298 0.898 3.638 1.00 0.00 H new ATOM 0 HA ASP A 43 -27.813 -1.536 3.358 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -25.139 -0.642 2.211 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.030 -2.064 1.705 1.00 0.00 H new ATOM 726 N TYR A 44 -24.993 -1.499 5.046 1.00 0.00 N ATOM 727 CA TYR A 44 -24.165 -2.272 5.969 1.00 0.00 C ATOM 728 C TYR A 44 -24.946 -2.583 7.244 1.00 0.00 C ATOM 729 O TYR A 44 -25.027 -3.731 7.679 1.00 0.00 O ATOM 730 CB TYR A 44 -22.883 -1.493 6.302 1.00 0.00 C ATOM 731 CG TYR A 44 -22.441 -1.605 7.749 1.00 0.00 C ATOM 732 CD1 TYR A 44 -21.773 -2.734 8.205 1.00 0.00 C ATOM 733 CD2 TYR A 44 -22.692 -0.580 8.653 1.00 0.00 C ATOM 734 CE1 TYR A 44 -21.367 -2.841 9.522 1.00 0.00 C ATOM 735 CE2 TYR A 44 -22.289 -0.679 9.972 1.00 0.00 C ATOM 736 CZ TYR A 44 -21.627 -1.810 10.401 1.00 0.00 C ATOM 737 OH TYR A 44 -21.225 -1.914 11.712 1.00 0.00 O ATOM 0 H TYR A 44 -24.714 -0.523 4.946 1.00 0.00 H new ATOM 0 HA TYR A 44 -23.889 -3.214 5.494 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -22.078 -1.850 5.660 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -23.039 -0.441 6.062 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -21.567 -3.542 7.519 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -23.210 0.308 8.320 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -20.849 -3.726 9.861 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -22.492 0.126 10.663 1.00 0.00 H new ATOM 0 HH TYR A 44 -21.483 -1.103 12.199 1.00 0.00 H new ATOM 747 N ILE A 45 -25.519 -1.540 7.826 1.00 0.00 N ATOM 748 CA ILE A 45 -26.303 -1.657 9.046 1.00 0.00 C ATOM 749 C ILE A 45 -27.495 -2.584 8.847 1.00 0.00 C ATOM 750 O ILE A 45 -27.630 -3.612 9.511 1.00 0.00 O ATOM 751 CB ILE A 45 -26.812 -0.260 9.484 1.00 0.00 C ATOM 752 CG1 ILE A 45 -25.702 0.507 10.199 1.00 0.00 C ATOM 753 CG2 ILE A 45 -28.056 -0.357 10.365 1.00 0.00 C ATOM 754 CD1 ILE A 45 -25.958 1.996 10.279 1.00 0.00 C ATOM 0 H ILE A 45 -25.453 -0.588 7.465 1.00 0.00 H new ATOM 0 HA ILE A 45 -25.659 -2.077 9.819 1.00 0.00 H new ATOM 0 HB ILE A 45 -27.096 0.286 8.584 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -25.588 0.110 11.208 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -24.759 0.335 9.680 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -28.379 0.644 10.649 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -28.855 -0.853 9.814 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -27.823 -0.931 11.262 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -25.131 2.480 10.799 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -26.043 2.405 9.272 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -26.885 2.177 10.824 1.00 0.00 H new ATOM 766 N HIS A 46 -28.365 -2.177 7.941 1.00 0.00 N ATOM 767 CA HIS A 46 -29.582 -2.911 7.632 1.00 0.00 C ATOM 768 C HIS A 46 -29.302 -4.180 6.829 1.00 0.00 C ATOM 769 O HIS A 46 -30.086 -5.130 6.866 1.00 0.00 O ATOM 770 CB HIS A 46 -30.544 -1.975 6.899 1.00 0.00 C ATOM 771 CG HIS A 46 -30.660 -0.641 7.580 1.00 0.00 C ATOM 772 ND1 HIS A 46 -31.783 -0.234 8.269 1.00 0.00 N ATOM 773 CD2 HIS A 46 -29.760 0.366 7.719 1.00 0.00 C ATOM 774 CE1 HIS A 46 -31.562 0.958 8.796 1.00 0.00 C ATOM 775 NE2 HIS A 46 -30.347 1.341 8.476 1.00 0.00 N ATOM 0 H HIS A 46 -28.248 -1.323 7.395 1.00 0.00 H new ATOM 0 HA HIS A 46 -30.041 -3.247 8.562 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -30.199 -1.831 5.875 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -31.528 -2.439 6.842 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -28.762 0.392 7.307 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -32.264 1.523 9.391 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -29.912 2.223 8.748 1.00 0.00 H new ATOM 784 N SER A 47 -28.181 -4.199 6.110 1.00 0.00 N ATOM 785 CA SER A 47 -27.799 -5.363 5.307 1.00 0.00 C ATOM 786 C SER A 47 -28.616 -5.441 4.020 1.00 0.00 C ATOM 787 O SER A 47 -29.500 -6.286 3.883 1.00 0.00 O ATOM 788 CB SER A 47 -27.969 -6.654 6.112 1.00 0.00 C ATOM 789 OG SER A 47 -27.596 -6.466 7.465 1.00 0.00 O ATOM 0 H SER A 47 -27.521 -3.423 6.066 1.00 0.00 H new ATOM 0 HA SER A 47 -26.749 -5.247 5.040 1.00 0.00 H new ATOM 0 HB2 SER A 47 -29.007 -6.984 6.060 1.00 0.00 H new ATOM 0 HB3 SER A 47 -27.361 -7.444 5.671 1.00 0.00 H new ATOM 0 HG SER A 47 -27.716 -7.305 7.957 1.00 0.00 H new ATOM 795 N THR A 48 -28.306 -4.557 3.077 1.00 0.00 N ATOM 796 CA THR A 48 -29.001 -4.531 1.797 1.00 0.00 C ATOM 797 C THR A 48 -28.022 -4.754 0.650 1.00 0.00 C ATOM 798 O THR A 48 -27.097 -3.969 0.449 1.00 0.00 O ATOM 799 CB THR A 48 -29.736 -3.203 1.612 1.00 0.00 C ATOM 800 OG1 THR A 48 -28.818 -2.135 1.487 1.00 0.00 O ATOM 801 CG2 THR A 48 -30.670 -2.876 2.754 1.00 0.00 C ATOM 0 H THR A 48 -27.578 -3.850 3.176 1.00 0.00 H new ATOM 0 HA THR A 48 -29.733 -5.338 1.791 1.00 0.00 H new ATOM 0 HB THR A 48 -30.326 -3.322 0.703 1.00 0.00 H new ATOM 0 HG1 THR A 48 -28.401 -2.164 0.601 1.00 0.00 H new ATOM 0 HG21 THR A 48 -31.160 -1.922 2.561 1.00 0.00 H new ATOM 0 HG22 THR A 48 -31.423 -3.659 2.844 1.00 0.00 H new ATOM 0 HG23 THR A 48 -30.102 -2.811 3.682 1.00 0.00 H new ATOM 809 N HIS A 49 -28.229 -5.843 -0.086 1.00 0.00 N ATOM 810 CA HIS A 49 -27.371 -6.208 -1.210 1.00 0.00 C ATOM 811 C HIS A 49 -26.019 -6.684 -0.706 1.00 0.00 C ATOM 812 O HIS A 49 -25.624 -7.830 -0.929 1.00 0.00 O ATOM 813 CB HIS A 49 -27.191 -5.028 -2.173 1.00 0.00 C ATOM 814 CG HIS A 49 -28.458 -4.612 -2.855 1.00 0.00 C ATOM 815 ND1 HIS A 49 -28.484 -4.055 -4.117 1.00 0.00 N ATOM 816 CD2 HIS A 49 -29.748 -4.676 -2.447 1.00 0.00 C ATOM 817 CE1 HIS A 49 -29.736 -3.794 -4.454 1.00 0.00 C ATOM 818 NE2 HIS A 49 -30.520 -4.161 -3.459 1.00 0.00 N ATOM 0 H HIS A 49 -28.995 -6.496 0.079 1.00 0.00 H new ATOM 0 HA HIS A 49 -27.854 -7.020 -1.754 1.00 0.00 H new ATOM 0 HB2 HIS A 49 -26.789 -4.178 -1.622 1.00 0.00 H new ATOM 0 HB3 HIS A 49 -26.453 -5.296 -2.929 1.00 0.00 H new ATOM 0 HD2 HIS A 49 -30.103 -5.060 -1.502 1.00 0.00 H new ATOM 0 HE1 HIS A 49 -30.061 -3.355 -5.386 1.00 0.00 H new ATOM 0 HE2 HIS A 49 -31.536 -4.076 -3.444 1.00 0.00 H new ATOM 827 N GLY A 50 -25.322 -5.794 -0.016 1.00 0.00 N ATOM 828 CA GLY A 50 -24.016 -6.113 0.539 1.00 0.00 C ATOM 829 C GLY A 50 -23.149 -6.918 -0.407 1.00 0.00 C ATOM 830 O GLY A 50 -23.156 -8.148 -0.372 1.00 0.00 O ATOM 0 H GLY A 50 -25.640 -4.843 0.173 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -23.501 -5.187 0.796 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -24.148 -6.672 1.466 1.00 0.00 H new ATOM 834 N LYS A 51 -22.401 -6.222 -1.253 1.00 0.00 N ATOM 835 CA LYS A 51 -21.525 -6.883 -2.213 1.00 0.00 C ATOM 836 C LYS A 51 -20.362 -7.568 -1.498 1.00 0.00 C ATOM 837 O LYS A 51 -19.753 -6.996 -0.598 1.00 0.00 O ATOM 838 CB LYS A 51 -20.992 -5.872 -3.231 1.00 0.00 C ATOM 839 CG LYS A 51 -21.633 -5.998 -4.604 1.00 0.00 C ATOM 840 CD LYS A 51 -20.705 -6.680 -5.594 1.00 0.00 C ATOM 841 CE LYS A 51 -20.941 -8.180 -5.641 1.00 0.00 C ATOM 842 NZ LYS A 51 -21.769 -8.576 -6.815 1.00 0.00 N ATOM 0 H LYS A 51 -22.383 -5.203 -1.295 1.00 0.00 H new ATOM 0 HA LYS A 51 -22.105 -7.641 -2.739 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -21.159 -4.864 -2.852 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -19.914 -6.001 -3.329 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -22.560 -6.566 -4.523 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -21.897 -5.008 -4.975 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -20.856 -6.256 -6.587 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -19.669 -6.483 -5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -19.982 -8.697 -5.682 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -21.436 -8.498 -4.724 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -21.907 -9.607 -6.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -22.694 -8.103 -6.763 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -21.285 -8.295 -7.692 1.00 0.00 H new ATOM 856 N GLU A 52 -20.063 -8.797 -1.909 1.00 0.00 N ATOM 857 CA GLU A 52 -18.974 -9.562 -1.309 1.00 0.00 C ATOM 858 C GLU A 52 -18.078 -10.169 -2.384 1.00 0.00 C ATOM 859 O GLU A 52 -18.559 -10.756 -3.353 1.00 0.00 O ATOM 860 CB GLU A 52 -19.534 -10.666 -0.407 1.00 0.00 C ATOM 861 CG GLU A 52 -19.112 -10.531 1.046 1.00 0.00 C ATOM 862 CD GLU A 52 -19.771 -11.563 1.941 1.00 0.00 C ATOM 863 OE1 GLU A 52 -20.982 -11.812 1.768 1.00 0.00 O ATOM 864 OE2 GLU A 52 -19.074 -12.121 2.815 1.00 0.00 O ATOM 0 H GLU A 52 -20.559 -9.285 -2.655 1.00 0.00 H new ATOM 0 HA GLU A 52 -18.374 -8.881 -0.706 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -20.622 -10.654 -0.464 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -19.206 -11.634 -0.784 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -18.029 -10.632 1.117 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -19.363 -9.532 1.403 1.00 0.00 H new ATOM 871 N MET A 53 -16.775 -10.018 -2.201 1.00 0.00 N ATOM 872 CA MET A 53 -15.797 -10.543 -3.141 1.00 0.00 C ATOM 873 C MET A 53 -14.905 -11.577 -2.460 1.00 0.00 C ATOM 874 O MET A 53 -14.190 -11.259 -1.508 1.00 0.00 O ATOM 875 CB MET A 53 -14.953 -9.396 -3.711 1.00 0.00 C ATOM 876 CG MET A 53 -13.594 -9.828 -4.244 1.00 0.00 C ATOM 877 SD MET A 53 -13.118 -8.961 -5.749 1.00 0.00 S ATOM 878 CE MET A 53 -13.824 -7.351 -5.433 1.00 0.00 C ATOM 0 H MET A 53 -16.368 -9.531 -1.402 1.00 0.00 H new ATOM 0 HA MET A 53 -16.323 -11.033 -3.961 1.00 0.00 H new ATOM 0 HB2 MET A 53 -15.510 -8.914 -4.515 1.00 0.00 H new ATOM 0 HB3 MET A 53 -14.805 -8.647 -2.933 1.00 0.00 H new ATOM 0 HG2 MET A 53 -12.838 -9.655 -3.478 1.00 0.00 H new ATOM 0 HG3 MET A 53 -13.611 -10.900 -4.439 1.00 0.00 H new ATOM 0 HE1 MET A 53 -13.442 -6.637 -6.162 1.00 0.00 H new ATOM 0 HE2 MET A 53 -14.910 -7.407 -5.514 1.00 0.00 H new ATOM 0 HE3 MET A 53 -13.552 -7.025 -4.429 1.00 0.00 H new ATOM 888 N ASP A 54 -14.949 -12.812 -2.950 1.00 0.00 N ATOM 889 CA ASP A 54 -14.139 -13.884 -2.385 1.00 0.00 C ATOM 890 C ASP A 54 -12.660 -13.510 -2.416 1.00 0.00 C ATOM 891 O ASP A 54 -12.148 -13.054 -3.439 1.00 0.00 O ATOM 892 CB ASP A 54 -14.368 -15.189 -3.150 1.00 0.00 C ATOM 893 CG ASP A 54 -14.386 -16.399 -2.237 1.00 0.00 C ATOM 894 OD1 ASP A 54 -15.217 -16.427 -1.304 1.00 0.00 O ATOM 895 OD2 ASP A 54 -13.570 -17.318 -2.454 1.00 0.00 O ATOM 0 H ASP A 54 -15.536 -13.094 -3.735 1.00 0.00 H new ATOM 0 HA ASP A 54 -14.440 -14.030 -1.348 1.00 0.00 H new ATOM 0 HB2 ASP A 54 -15.314 -15.130 -3.689 1.00 0.00 H new ATOM 0 HB3 ASP A 54 -13.583 -15.312 -3.896 1.00 0.00 H new ATOM 900 N LEU A 55 -11.983 -13.690 -1.289 1.00 0.00 N ATOM 901 CA LEU A 55 -10.568 -13.354 -1.191 1.00 0.00 C ATOM 902 C LEU A 55 -9.685 -14.575 -1.424 1.00 0.00 C ATOM 903 O LEU A 55 -8.567 -14.643 -0.919 1.00 0.00 O ATOM 904 CB LEU A 55 -10.265 -12.748 0.178 1.00 0.00 C ATOM 905 CG LEU A 55 -10.468 -11.234 0.273 1.00 0.00 C ATOM 906 CD1 LEU A 55 -11.052 -10.858 1.626 1.00 0.00 C ATOM 907 CD2 LEU A 55 -9.155 -10.508 0.038 1.00 0.00 C ATOM 0 H LEU A 55 -12.389 -14.066 -0.432 1.00 0.00 H new ATOM 0 HA LEU A 55 -10.346 -12.624 -1.969 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -10.898 -13.232 0.921 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -9.232 -12.978 0.440 1.00 0.00 H new ATOM 0 HG LEU A 55 -11.173 -10.930 -0.501 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -11.189 -9.778 1.675 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -12.014 -11.353 1.757 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -10.371 -11.174 2.417 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -9.316 -9.432 0.109 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -8.429 -10.816 0.790 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -8.776 -10.753 -0.954 1.00 0.00 H new ATOM 919 N LEU A 56 -10.183 -15.536 -2.191 1.00 0.00 N ATOM 920 CA LEU A 56 -9.419 -16.746 -2.482 1.00 0.00 C ATOM 921 C LEU A 56 -8.453 -16.510 -3.639 1.00 0.00 C ATOM 922 O LEU A 56 -7.251 -16.738 -3.512 1.00 0.00 O ATOM 923 CB LEU A 56 -10.361 -17.908 -2.806 1.00 0.00 C ATOM 924 CG LEU A 56 -10.615 -18.874 -1.648 1.00 0.00 C ATOM 925 CD1 LEU A 56 -11.707 -19.868 -2.011 1.00 0.00 C ATOM 926 CD2 LEU A 56 -9.333 -19.602 -1.271 1.00 0.00 C ATOM 0 H LEU A 56 -11.107 -15.504 -2.622 1.00 0.00 H new ATOM 0 HA LEU A 56 -8.838 -17.003 -1.596 1.00 0.00 H new ATOM 0 HB2 LEU A 56 -11.317 -17.501 -3.136 1.00 0.00 H new ATOM 0 HB3 LEU A 56 -9.947 -18.469 -3.644 1.00 0.00 H new ATOM 0 HG LEU A 56 -10.950 -18.297 -0.786 1.00 0.00 H new ATOM 0 HD11 LEU A 56 -11.874 -20.547 -1.175 1.00 0.00 H new ATOM 0 HD12 LEU A 56 -12.629 -19.331 -2.232 1.00 0.00 H new ATOM 0 HD13 LEU A 56 -11.402 -20.440 -2.887 1.00 0.00 H new ATOM 0 HD21 LEU A 56 -9.532 -20.285 -0.445 1.00 0.00 H new ATOM 0 HD22 LEU A 56 -8.969 -20.166 -2.130 1.00 0.00 H new ATOM 0 HD23 LEU A 56 -8.578 -18.876 -0.968 1.00 0.00 H new ATOM 938 N ARG A 57 -8.987 -16.048 -4.763 1.00 0.00 N ATOM 939 CA ARG A 57 -8.171 -15.775 -5.941 1.00 0.00 C ATOM 940 C ARG A 57 -8.394 -14.348 -6.431 1.00 0.00 C ATOM 941 O ARG A 57 -8.772 -14.124 -7.580 1.00 0.00 O ATOM 942 CB ARG A 57 -8.494 -16.773 -7.057 1.00 0.00 C ATOM 943 CG ARG A 57 -7.668 -18.049 -6.989 1.00 0.00 C ATOM 944 CD ARG A 57 -7.124 -18.439 -8.354 1.00 0.00 C ATOM 945 NE ARG A 57 -5.693 -18.163 -8.474 1.00 0.00 N ATOM 946 CZ ARG A 57 -4.745 -18.906 -7.907 1.00 0.00 C ATOM 947 NH1 ARG A 57 -5.069 -19.968 -7.181 1.00 0.00 N ATOM 948 NH2 ARG A 57 -3.468 -18.585 -8.068 1.00 0.00 N ATOM 0 H ARG A 57 -9.981 -15.854 -4.884 1.00 0.00 H new ATOM 0 HA ARG A 57 -7.123 -15.886 -5.664 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -9.552 -17.031 -7.007 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -8.328 -16.293 -8.022 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -6.840 -17.910 -6.293 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -8.282 -18.860 -6.597 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -7.304 -19.500 -8.526 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -7.664 -17.894 -9.128 1.00 0.00 H new ATOM 0 HE ARG A 57 -5.404 -17.354 -9.024 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -6.049 -20.220 -7.055 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.338 -20.533 -6.749 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -3.213 -17.770 -8.626 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.741 -19.153 -7.634 1.00 0.00 H new ATOM 962 N THR A 58 -8.159 -13.386 -5.545 1.00 0.00 N ATOM 963 CA THR A 58 -8.334 -11.977 -5.878 1.00 0.00 C ATOM 964 C THR A 58 -6.988 -11.287 -6.061 1.00 0.00 C ATOM 965 O THR A 58 -5.955 -11.787 -5.617 1.00 0.00 O ATOM 966 CB THR A 58 -9.134 -11.269 -4.783 1.00 0.00 C ATOM 967 OG1 THR A 58 -9.013 -11.957 -3.552 1.00 0.00 O ATOM 968 CG2 THR A 58 -10.609 -11.145 -5.098 1.00 0.00 C ATOM 0 H THR A 58 -7.846 -13.557 -4.589 1.00 0.00 H new ATOM 0 HA THR A 58 -8.882 -11.919 -6.818 1.00 0.00 H new ATOM 0 HB THR A 58 -8.711 -10.267 -4.720 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.496 -12.808 -3.604 1.00 0.00 H new ATOM 0 HG21 THR A 58 -11.114 -10.633 -4.279 1.00 0.00 H new ATOM 0 HG22 THR A 58 -10.738 -10.574 -6.017 1.00 0.00 H new ATOM 0 HG23 THR A 58 -11.039 -12.139 -5.225 1.00 0.00 H new ATOM 976 N THR A 59 -7.009 -10.130 -6.714 1.00 0.00 N ATOM 977 CA THR A 59 -5.794 -9.363 -6.953 1.00 0.00 C ATOM 978 C THR A 59 -5.997 -7.900 -6.579 1.00 0.00 C ATOM 979 O THR A 59 -7.117 -7.388 -6.619 1.00 0.00 O ATOM 980 CB THR A 59 -5.374 -9.474 -8.422 1.00 0.00 C ATOM 981 OG1 THR A 59 -6.438 -9.973 -9.213 1.00 0.00 O ATOM 982 CG2 THR A 59 -4.182 -10.381 -8.636 1.00 0.00 C ATOM 0 H THR A 59 -7.857 -9.703 -7.088 1.00 0.00 H new ATOM 0 HA THR A 59 -5.003 -9.775 -6.326 1.00 0.00 H new ATOM 0 HB THR A 59 -5.101 -8.462 -8.720 1.00 0.00 H new ATOM 0 HG1 THR A 59 -6.150 -10.035 -10.148 1.00 0.00 H new ATOM 0 HG21 THR A 59 -3.937 -10.415 -9.698 1.00 0.00 H new ATOM 0 HG22 THR A 59 -3.328 -9.997 -8.078 1.00 0.00 H new ATOM 0 HG23 THR A 59 -4.422 -11.385 -8.286 1.00 0.00 H new ATOM 990 N VAL A 60 -4.909 -7.229 -6.218 1.00 0.00 N ATOM 991 CA VAL A 60 -4.969 -5.823 -5.840 1.00 0.00 C ATOM 992 C VAL A 60 -4.007 -4.995 -6.682 1.00 0.00 C ATOM 993 O VAL A 60 -2.810 -5.280 -6.732 1.00 0.00 O ATOM 994 CB VAL A 60 -4.632 -5.620 -4.351 1.00 0.00 C ATOM 995 CG1 VAL A 60 -4.943 -4.196 -3.920 1.00 0.00 C ATOM 996 CG2 VAL A 60 -5.386 -6.623 -3.490 1.00 0.00 C ATOM 0 H VAL A 60 -3.975 -7.637 -6.179 1.00 0.00 H new ATOM 0 HA VAL A 60 -5.992 -5.491 -6.017 1.00 0.00 H new ATOM 0 HB VAL A 60 -3.564 -5.790 -4.214 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -4.698 -4.073 -2.865 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -4.351 -3.499 -4.513 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -6.003 -3.993 -4.072 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -5.135 -6.464 -2.441 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -6.459 -6.489 -3.631 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -5.105 -7.635 -3.781 1.00 0.00 H new ATOM 1407 N PHE A 90 -4.097 7.874 -3.403 1.00 0.00 N ATOM 1408 CA PHE A 90 -4.126 6.480 -2.976 1.00 0.00 C ATOM 1409 C PHE A 90 -5.442 5.809 -3.361 1.00 0.00 C ATOM 1410 O PHE A 90 -6.484 6.056 -2.753 1.00 0.00 O ATOM 1411 CB PHE A 90 -3.895 6.352 -1.462 1.00 0.00 C ATOM 1412 CG PHE A 90 -4.270 7.564 -0.651 1.00 0.00 C ATOM 1413 CD1 PHE A 90 -3.659 8.790 -0.871 1.00 0.00 C ATOM 1414 CD2 PHE A 90 -5.221 7.469 0.355 1.00 0.00 C ATOM 1415 CE1 PHE A 90 -3.992 9.893 -0.108 1.00 0.00 C ATOM 1416 CE2 PHE A 90 -5.553 8.567 1.122 1.00 0.00 C ATOM 1417 CZ PHE A 90 -4.939 9.781 0.892 1.00 0.00 C ATOM 0 HA PHE A 90 -3.313 5.971 -3.493 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -4.465 5.498 -1.095 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -2.842 6.131 -1.289 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -2.914 8.883 -1.648 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -5.708 6.523 0.540 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -3.512 10.843 -0.293 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -6.294 8.476 1.903 1.00 0.00 H new ATOM 0 HZ PHE A 90 -5.198 10.641 1.492 1.00 0.00 H new ATOM 1427 N GLU A 91 -5.378 4.950 -4.376 1.00 0.00 N ATOM 1428 CA GLU A 91 -6.550 4.224 -4.856 1.00 0.00 C ATOM 1429 C GLU A 91 -6.163 2.794 -5.221 1.00 0.00 C ATOM 1430 O GLU A 91 -5.189 2.573 -5.941 1.00 0.00 O ATOM 1431 CB GLU A 91 -7.165 4.934 -6.066 1.00 0.00 C ATOM 1432 CG GLU A 91 -7.086 6.452 -5.996 1.00 0.00 C ATOM 1433 CD GLU A 91 -5.839 7.003 -6.657 1.00 0.00 C ATOM 1434 OE1 GLU A 91 -4.728 6.574 -6.281 1.00 0.00 O ATOM 1435 OE2 GLU A 91 -5.973 7.865 -7.552 1.00 0.00 O ATOM 0 H GLU A 91 -4.519 4.739 -4.885 1.00 0.00 H new ATOM 0 HA GLU A 91 -7.294 4.197 -4.060 1.00 0.00 H new ATOM 0 HB2 GLU A 91 -6.659 4.595 -6.970 1.00 0.00 H new ATOM 0 HB3 GLU A 91 -8.210 4.638 -6.156 1.00 0.00 H new ATOM 0 HG2 GLU A 91 -7.966 6.880 -6.476 1.00 0.00 H new ATOM 0 HG3 GLU A 91 -7.108 6.765 -4.952 1.00 0.00 H new ATOM 1442 N PHE A 92 -6.916 1.821 -4.712 1.00 0.00 N ATOM 1443 CA PHE A 92 -6.624 0.414 -4.983 1.00 0.00 C ATOM 1444 C PHE A 92 -7.835 -0.307 -5.571 1.00 0.00 C ATOM 1445 O PHE A 92 -8.978 -0.022 -5.212 1.00 0.00 O ATOM 1446 CB PHE A 92 -6.159 -0.286 -3.700 1.00 0.00 C ATOM 1447 CG PHE A 92 -7.228 -0.409 -2.648 1.00 0.00 C ATOM 1448 CD1 PHE A 92 -7.715 0.715 -1.999 1.00 0.00 C ATOM 1449 CD2 PHE A 92 -7.746 -1.648 -2.313 1.00 0.00 C ATOM 1450 CE1 PHE A 92 -8.700 0.603 -1.035 1.00 0.00 C ATOM 1451 CE2 PHE A 92 -8.731 -1.766 -1.350 1.00 0.00 C ATOM 1452 CZ PHE A 92 -9.210 -0.638 -0.710 1.00 0.00 C ATOM 0 H PHE A 92 -7.727 1.978 -4.114 1.00 0.00 H new ATOM 0 HA PHE A 92 -5.824 0.375 -5.722 1.00 0.00 H new ATOM 0 HB2 PHE A 92 -5.796 -1.282 -3.953 1.00 0.00 H new ATOM 0 HB3 PHE A 92 -5.315 0.264 -3.283 1.00 0.00 H new ATOM 0 HD1 PHE A 92 -7.321 1.689 -2.249 1.00 0.00 H new ATOM 0 HD2 PHE A 92 -7.376 -2.533 -2.810 1.00 0.00 H new ATOM 0 HE1 PHE A 92 -9.070 1.486 -0.536 1.00 0.00 H new ATOM 0 HE2 PHE A 92 -9.126 -2.739 -1.098 1.00 0.00 H new ATOM 0 HZ PHE A 92 -9.980 -0.727 0.042 1.00 0.00 H new ATOM 1462 N LEU A 93 -7.569 -1.246 -6.478 1.00 0.00 N ATOM 1463 CA LEU A 93 -8.628 -2.018 -7.123 1.00 0.00 C ATOM 1464 C LEU A 93 -8.624 -3.463 -6.636 1.00 0.00 C ATOM 1465 O LEU A 93 -7.564 -4.052 -6.421 1.00 0.00 O ATOM 1466 CB LEU A 93 -8.457 -1.996 -8.644 1.00 0.00 C ATOM 1467 CG LEU A 93 -8.812 -0.673 -9.326 1.00 0.00 C ATOM 1468 CD1 LEU A 93 -7.587 -0.072 -9.998 1.00 0.00 C ATOM 1469 CD2 LEU A 93 -9.928 -0.879 -10.340 1.00 0.00 C ATOM 0 H LEU A 93 -6.627 -1.490 -6.783 1.00 0.00 H new ATOM 0 HA LEU A 93 -9.581 -1.559 -6.859 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -7.421 -2.240 -8.880 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -9.076 -2.784 -9.073 1.00 0.00 H new ATOM 0 HG LEU A 93 -9.162 0.023 -8.564 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -7.860 0.868 -10.477 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -6.815 0.112 -9.250 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -7.207 -0.765 -10.748 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -10.168 0.072 -10.815 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -9.604 -1.592 -11.098 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -10.813 -1.265 -9.834 1.00 0.00 H new ATOM 1481 N ILE A 94 -9.820 -4.027 -6.477 1.00 0.00 N ATOM 1482 CA ILE A 94 -9.970 -5.407 -6.028 1.00 0.00 C ATOM 1483 C ILE A 94 -10.504 -6.278 -7.160 1.00 0.00 C ATOM 1484 O ILE A 94 -11.667 -6.169 -7.533 1.00 0.00 O ATOM 1485 CB ILE A 94 -10.943 -5.496 -4.833 1.00 0.00 C ATOM 1486 CG1 ILE A 94 -10.639 -4.401 -3.809 1.00 0.00 C ATOM 1487 CG2 ILE A 94 -10.882 -6.869 -4.184 1.00 0.00 C ATOM 1488 CD1 ILE A 94 -9.301 -4.566 -3.125 1.00 0.00 C ATOM 0 H ILE A 94 -10.702 -3.546 -6.654 1.00 0.00 H new ATOM 0 HA ILE A 94 -8.987 -5.762 -5.719 1.00 0.00 H new ATOM 0 HB ILE A 94 -11.955 -5.345 -5.208 1.00 0.00 H new ATOM 0 HG12 ILE A 94 -10.666 -3.432 -4.307 1.00 0.00 H new ATOM 0 HG13 ILE A 94 -11.425 -4.393 -3.054 1.00 0.00 H new ATOM 0 HG21 ILE A 94 -11.577 -6.906 -3.345 1.00 0.00 H new ATOM 0 HG22 ILE A 94 -11.156 -7.630 -4.915 1.00 0.00 H new ATOM 0 HG23 ILE A 94 -9.870 -7.057 -3.826 1.00 0.00 H new ATOM 0 HD11 ILE A 94 -9.154 -3.754 -2.413 1.00 0.00 H new ATOM 0 HD12 ILE A 94 -9.277 -5.520 -2.598 1.00 0.00 H new ATOM 0 HD13 ILE A 94 -8.506 -4.544 -3.870 1.00 0.00 H new ATOM 1500 N VAL A 95 -9.656 -7.142 -7.707 1.00 0.00 N ATOM 1501 CA VAL A 95 -10.074 -8.011 -8.802 1.00 0.00 C ATOM 1502 C VAL A 95 -10.399 -9.415 -8.306 1.00 0.00 C ATOM 1503 O VAL A 95 -9.621 -10.023 -7.574 1.00 0.00 O ATOM 1504 CB VAL A 95 -9.002 -8.102 -9.908 1.00 0.00 C ATOM 1505 CG1 VAL A 95 -9.389 -9.134 -10.960 1.00 0.00 C ATOM 1506 CG2 VAL A 95 -8.786 -6.741 -10.550 1.00 0.00 C ATOM 0 H VAL A 95 -8.686 -7.259 -7.415 1.00 0.00 H new ATOM 0 HA VAL A 95 -10.973 -7.561 -9.222 1.00 0.00 H new ATOM 0 HB VAL A 95 -8.067 -8.423 -9.449 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -8.617 -9.178 -11.728 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.490 -10.112 -10.490 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -10.338 -8.851 -11.416 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -8.027 -6.822 -11.328 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -9.721 -6.394 -10.990 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -8.455 -6.030 -9.793 1.00 0.00 H new ATOM 1516 N SER A 96 -11.551 -9.925 -8.729 1.00 0.00 N ATOM 1517 CA SER A 96 -11.983 -11.261 -8.347 1.00 0.00 C ATOM 1518 C SER A 96 -11.653 -12.256 -9.453 1.00 0.00 C ATOM 1519 O SER A 96 -11.003 -11.908 -10.439 1.00 0.00 O ATOM 1520 CB SER A 96 -13.486 -11.273 -8.057 1.00 0.00 C ATOM 1521 OG SER A 96 -13.765 -11.941 -6.839 1.00 0.00 O ATOM 0 H SER A 96 -12.203 -9.430 -9.338 1.00 0.00 H new ATOM 0 HA SER A 96 -11.452 -11.553 -7.441 1.00 0.00 H new ATOM 0 HB2 SER A 96 -13.858 -10.250 -8.008 1.00 0.00 H new ATOM 0 HB3 SER A 96 -14.013 -11.765 -8.874 1.00 0.00 H new ATOM 0 HG SER A 96 -14.731 -11.933 -6.676 1.00 0.00 H new ATOM 1527 N SER A 97 -12.103 -13.494 -9.288 1.00 0.00 N ATOM 1528 CA SER A 97 -11.848 -14.530 -10.280 1.00 0.00 C ATOM 1529 C SER A 97 -12.869 -14.480 -11.412 1.00 0.00 C ATOM 1530 O SER A 97 -12.653 -15.058 -12.476 1.00 0.00 O ATOM 1531 CB SER A 97 -11.862 -15.910 -9.624 1.00 0.00 C ATOM 1532 OG SER A 97 -11.186 -16.864 -10.426 1.00 0.00 O ATOM 0 H SER A 97 -12.644 -13.804 -8.480 1.00 0.00 H new ATOM 0 HA SER A 97 -10.861 -14.346 -10.705 1.00 0.00 H new ATOM 0 HB2 SER A 97 -11.389 -15.855 -8.643 1.00 0.00 H new ATOM 0 HB3 SER A 97 -12.892 -16.229 -9.464 1.00 0.00 H new ATOM 0 HG SER A 97 -11.279 -16.622 -11.371 1.00 0.00 H new ATOM 1538 N THR A 98 -13.981 -13.787 -11.181 1.00 0.00 N ATOM 1539 CA THR A 98 -15.021 -13.673 -12.195 1.00 0.00 C ATOM 1540 C THR A 98 -14.968 -12.319 -12.888 1.00 0.00 C ATOM 1541 O THR A 98 -15.963 -11.856 -13.447 1.00 0.00 O ATOM 1542 CB THR A 98 -16.401 -13.893 -11.573 1.00 0.00 C ATOM 1543 OG1 THR A 98 -17.423 -13.680 -12.530 1.00 0.00 O ATOM 1544 CG2 THR A 98 -16.676 -12.985 -10.394 1.00 0.00 C ATOM 0 H THR A 98 -14.183 -13.300 -10.308 1.00 0.00 H new ATOM 0 HA THR A 98 -14.843 -14.445 -12.944 1.00 0.00 H new ATOM 0 HB THR A 98 -16.400 -14.925 -11.223 1.00 0.00 H new ATOM 0 HG1 THR A 98 -17.303 -12.801 -12.946 1.00 0.00 H new ATOM 0 HG21 THR A 98 -17.671 -13.192 -9.999 1.00 0.00 H new ATOM 0 HG22 THR A 98 -15.933 -13.163 -9.617 1.00 0.00 H new ATOM 0 HG23 THR A 98 -16.623 -11.945 -10.716 1.00 0.00 H new ATOM 1552 N GLY A 99 -13.798 -11.692 -12.855 1.00 0.00 N ATOM 1553 CA GLY A 99 -13.633 -10.398 -13.494 1.00 0.00 C ATOM 1554 C GLY A 99 -14.118 -9.237 -12.641 1.00 0.00 C ATOM 1555 O GLY A 99 -13.729 -8.093 -12.871 1.00 0.00 O ATOM 0 H GLY A 99 -12.961 -12.055 -12.398 1.00 0.00 H new ATOM 0 HA2 GLY A 99 -12.579 -10.250 -13.731 1.00 0.00 H new ATOM 0 HA3 GLY A 99 -14.176 -10.396 -14.439 1.00 0.00 H new ATOM 1559 N GLN A 100 -14.970 -9.523 -11.656 1.00 0.00 N ATOM 1560 CA GLN A 100 -15.498 -8.481 -10.780 1.00 0.00 C ATOM 1561 C GLN A 100 -14.367 -7.638 -10.201 1.00 0.00 C ATOM 1562 O GLN A 100 -13.481 -8.157 -9.520 1.00 0.00 O ATOM 1563 CB GLN A 100 -16.320 -9.104 -9.650 1.00 0.00 C ATOM 1564 CG GLN A 100 -17.647 -8.402 -9.405 1.00 0.00 C ATOM 1565 CD GLN A 100 -18.831 -9.346 -9.487 1.00 0.00 C ATOM 1566 OE1 GLN A 100 -19.446 -9.500 -10.542 1.00 0.00 O ATOM 1567 NE2 GLN A 100 -19.159 -9.984 -8.369 1.00 0.00 N ATOM 0 H GLN A 100 -15.307 -10.463 -11.447 1.00 0.00 H new ATOM 0 HA GLN A 100 -16.144 -7.833 -11.372 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -16.510 -10.151 -9.885 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.733 -9.085 -8.732 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -17.629 -7.932 -8.421 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -17.772 -7.604 -10.137 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -18.622 -9.827 -7.516 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -19.948 -10.631 -8.364 1.00 0.00 H new ATOM 1576 N THR A 101 -14.392 -6.339 -10.484 1.00 0.00 N ATOM 1577 CA THR A 101 -13.354 -5.440 -9.998 1.00 0.00 C ATOM 1578 C THR A 101 -13.934 -4.314 -9.147 1.00 0.00 C ATOM 1579 O THR A 101 -14.666 -3.458 -9.643 1.00 0.00 O ATOM 1580 CB THR A 101 -12.577 -4.848 -11.174 1.00 0.00 C ATOM 1581 OG1 THR A 101 -12.519 -5.766 -12.251 1.00 0.00 O ATOM 1582 CG2 THR A 101 -11.157 -4.465 -10.821 1.00 0.00 C ATOM 0 H THR A 101 -15.116 -5.889 -11.044 1.00 0.00 H new ATOM 0 HA THR A 101 -12.681 -6.025 -9.370 1.00 0.00 H new ATOM 0 HB THR A 101 -13.121 -3.946 -11.453 1.00 0.00 H new ATOM 0 HG1 THR A 101 -12.019 -5.368 -12.994 1.00 0.00 H new ATOM 0 HG21 THR A 101 -10.662 -4.052 -11.700 1.00 0.00 H new ATOM 0 HG22 THR A 101 -11.168 -3.719 -10.027 1.00 0.00 H new ATOM 0 HG23 THR A 101 -10.616 -5.348 -10.482 1.00 0.00 H new ATOM 1590 N TRP A 102 -13.579 -4.310 -7.864 1.00 0.00 N ATOM 1591 CA TRP A 102 -14.038 -3.279 -6.944 1.00 0.00 C ATOM 1592 C TRP A 102 -12.976 -2.200 -6.799 1.00 0.00 C ATOM 1593 O TRP A 102 -11.961 -2.411 -6.133 1.00 0.00 O ATOM 1594 CB TRP A 102 -14.321 -3.862 -5.564 1.00 0.00 C ATOM 1595 CG TRP A 102 -15.394 -4.901 -5.525 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -16.036 -5.477 -6.582 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -15.944 -5.489 -4.348 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -16.953 -6.398 -6.125 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -16.919 -6.416 -4.754 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -15.702 -5.318 -2.984 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -17.650 -7.169 -3.838 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -16.433 -6.067 -2.084 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -17.391 -6.974 -2.514 1.00 0.00 C ATOM 0 H TRP A 102 -12.973 -5.012 -7.440 1.00 0.00 H new ATOM 0 HA TRP A 102 -14.956 -2.857 -7.353 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -13.401 -4.297 -5.174 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -14.599 -3.049 -4.893 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -15.853 -5.246 -7.621 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -17.559 -6.973 -6.711 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -14.958 -4.614 -2.640 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -18.394 -7.881 -4.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -16.256 -5.945 -1.026 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -17.946 -7.540 -1.781 1.00 0.00 H new ATOM 1614 N HIS A 103 -13.201 -1.047 -7.409 1.00 0.00 N ATOM 1615 CA HIS A 103 -12.243 0.041 -7.314 1.00 0.00 C ATOM 1616 C HIS A 103 -12.625 0.998 -6.193 1.00 0.00 C ATOM 1617 O HIS A 103 -13.675 1.633 -6.239 1.00 0.00 O ATOM 1618 CB HIS A 103 -12.148 0.797 -8.638 1.00 0.00 C ATOM 1619 CG HIS A 103 -11.004 1.756 -8.670 1.00 0.00 C ATOM 1620 ND1 HIS A 103 -10.144 1.916 -7.607 1.00 0.00 N ATOM 1621 CD2 HIS A 103 -10.583 2.616 -9.627 1.00 0.00 C ATOM 1622 CE1 HIS A 103 -9.249 2.833 -7.901 1.00 0.00 C ATOM 1623 NE2 HIS A 103 -9.487 3.276 -9.124 1.00 0.00 N ATOM 0 H HIS A 103 -14.029 -0.842 -7.969 1.00 0.00 H new ATOM 0 HA HIS A 103 -11.267 -0.390 -7.089 1.00 0.00 H new ATOM 0 HB2 HIS A 103 -12.041 0.082 -9.454 1.00 0.00 H new ATOM 0 HB3 HIS A 103 -13.077 1.340 -8.810 1.00 0.00 H new ATOM 0 HD2 HIS A 103 -11.025 2.757 -10.602 1.00 0.00 H new ATOM 0 HE1 HIS A 103 -8.453 3.168 -7.253 1.00 0.00 H new ATOM 0 HE2 HIS A 103 -8.947 3.989 -9.613 1.00 0.00 H new ATOM 1632 N PHE A 104 -11.771 1.098 -5.180 1.00 0.00 N ATOM 1633 CA PHE A 104 -12.042 1.980 -4.054 1.00 0.00 C ATOM 1634 C PHE A 104 -10.904 2.965 -3.820 1.00 0.00 C ATOM 1635 O PHE A 104 -9.771 2.750 -4.254 1.00 0.00 O ATOM 1636 CB PHE A 104 -12.265 1.175 -2.771 1.00 0.00 C ATOM 1637 CG PHE A 104 -13.324 0.114 -2.869 1.00 0.00 C ATOM 1638 CD1 PHE A 104 -14.537 0.377 -3.484 1.00 0.00 C ATOM 1639 CD2 PHE A 104 -13.108 -1.145 -2.331 1.00 0.00 C ATOM 1640 CE1 PHE A 104 -15.514 -0.598 -3.561 1.00 0.00 C ATOM 1641 CE2 PHE A 104 -14.082 -2.122 -2.403 1.00 0.00 C ATOM 1642 CZ PHE A 104 -15.286 -1.848 -3.019 1.00 0.00 C ATOM 0 H PHE A 104 -10.893 0.583 -5.116 1.00 0.00 H new ATOM 0 HA PHE A 104 -12.945 2.536 -4.304 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -11.324 0.704 -2.486 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -12.533 1.863 -1.969 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -14.721 1.353 -3.907 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -12.167 -1.365 -1.850 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -16.455 -0.382 -4.045 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -13.901 -3.098 -1.978 1.00 0.00 H new ATOM 0 HZ PHE A 104 -16.049 -2.610 -3.077 1.00 0.00 H new ATOM 1652 N GLU A 105 -11.223 4.038 -3.103 1.00 0.00 N ATOM 1653 CA GLU A 105 -10.246 5.063 -2.767 1.00 0.00 C ATOM 1654 C GLU A 105 -10.229 5.280 -1.257 1.00 0.00 C ATOM 1655 O GLU A 105 -11.177 5.824 -0.688 1.00 0.00 O ATOM 1656 CB GLU A 105 -10.569 6.374 -3.483 1.00 0.00 C ATOM 1657 CG GLU A 105 -9.594 7.497 -3.168 1.00 0.00 C ATOM 1658 CD GLU A 105 -10.169 8.518 -2.208 1.00 0.00 C ATOM 1659 OE1 GLU A 105 -10.868 9.443 -2.672 1.00 0.00 O ATOM 1660 OE2 GLU A 105 -9.921 8.393 -0.990 1.00 0.00 O ATOM 0 H GLU A 105 -12.160 4.219 -2.742 1.00 0.00 H new ATOM 0 HA GLU A 105 -9.262 4.729 -3.095 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -10.573 6.199 -4.559 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -11.575 6.690 -3.208 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -8.685 7.074 -2.741 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -9.309 7.996 -4.094 1.00 0.00 H new ATOM 1667 N ALA A 106 -9.154 4.833 -0.617 1.00 0.00 N ATOM 1668 CA ALA A 106 -9.013 4.959 0.829 1.00 0.00 C ATOM 1669 C ALA A 106 -9.199 6.402 1.287 1.00 0.00 C ATOM 1670 O ALA A 106 -8.466 7.297 0.868 1.00 0.00 O ATOM 1671 CB ALA A 106 -7.652 4.437 1.267 1.00 0.00 C ATOM 0 H ALA A 106 -8.366 4.379 -1.078 1.00 0.00 H new ATOM 0 HA ALA A 106 -9.795 4.361 1.296 1.00 0.00 H new ATOM 0 HB1 ALA A 106 -7.555 4.535 2.348 1.00 0.00 H new ATOM 0 HB2 ALA A 106 -7.558 3.388 0.988 1.00 0.00 H new ATOM 0 HB3 ALA A 106 -6.867 5.014 0.779 1.00 0.00 H new ATOM 1677 N ALA A 107 -10.179 6.617 2.161 1.00 0.00 N ATOM 1678 CA ALA A 107 -10.453 7.949 2.683 1.00 0.00 C ATOM 1679 C ALA A 107 -9.233 8.495 3.418 1.00 0.00 C ATOM 1680 O ALA A 107 -8.958 9.695 3.387 1.00 0.00 O ATOM 1681 CB ALA A 107 -11.661 7.918 3.607 1.00 0.00 C ATOM 0 H ALA A 107 -10.794 5.887 2.521 1.00 0.00 H new ATOM 0 HA ALA A 107 -10.675 8.610 1.845 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -11.853 8.921 3.989 1.00 0.00 H new ATOM 0 HB2 ALA A 107 -12.533 7.567 3.055 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -11.464 7.244 4.441 1.00 0.00 H new ATOM 1687 N SER A 108 -8.501 7.597 4.070 1.00 0.00 N ATOM 1688 CA SER A 108 -7.303 7.971 4.805 1.00 0.00 C ATOM 1689 C SER A 108 -6.078 7.287 4.209 1.00 0.00 C ATOM 1690 O SER A 108 -6.173 6.187 3.664 1.00 0.00 O ATOM 1691 CB SER A 108 -7.447 7.606 6.284 1.00 0.00 C ATOM 1692 OG SER A 108 -7.039 6.269 6.526 1.00 0.00 O ATOM 0 H SER A 108 -8.720 6.601 4.103 1.00 0.00 H new ATOM 0 HA SER A 108 -7.173 9.050 4.725 1.00 0.00 H new ATOM 0 HB2 SER A 108 -6.848 8.287 6.889 1.00 0.00 H new ATOM 0 HB3 SER A 108 -8.484 7.734 6.593 1.00 0.00 H new ATOM 0 HG SER A 108 -7.591 5.882 7.237 1.00 0.00 H new ATOM 1698 N PHE A 109 -4.930 7.946 4.306 1.00 0.00 N ATOM 1699 CA PHE A 109 -3.689 7.402 3.767 1.00 0.00 C ATOM 1700 C PHE A 109 -3.307 6.102 4.467 1.00 0.00 C ATOM 1701 O PHE A 109 -2.667 5.234 3.877 1.00 0.00 O ATOM 1702 CB PHE A 109 -2.562 8.426 3.896 1.00 0.00 C ATOM 1703 CG PHE A 109 -1.991 8.848 2.576 1.00 0.00 C ATOM 1704 CD1 PHE A 109 -1.606 7.904 1.637 1.00 0.00 C ATOM 1705 CD2 PHE A 109 -1.852 10.190 2.267 1.00 0.00 C ATOM 1706 CE1 PHE A 109 -1.093 8.291 0.415 1.00 0.00 C ATOM 1707 CE2 PHE A 109 -1.337 10.583 1.050 1.00 0.00 C ATOM 1708 CZ PHE A 109 -0.959 9.634 0.120 1.00 0.00 C ATOM 0 H PHE A 109 -4.832 8.858 4.753 1.00 0.00 H new ATOM 0 HA PHE A 109 -3.847 7.181 2.711 1.00 0.00 H new ATOM 0 HB2 PHE A 109 -2.937 9.305 4.419 1.00 0.00 H new ATOM 0 HB3 PHE A 109 -1.766 8.005 4.510 1.00 0.00 H new ATOM 0 HD1 PHE A 109 -1.709 6.853 1.864 1.00 0.00 H new ATOM 0 HD2 PHE A 109 -2.150 10.938 2.987 1.00 0.00 H new ATOM 0 HE1 PHE A 109 -0.797 7.546 -0.308 1.00 0.00 H new ATOM 0 HE2 PHE A 109 -1.229 11.633 0.824 1.00 0.00 H new ATOM 0 HZ PHE A 109 -0.560 9.941 -0.835 1.00 0.00 H new ATOM 1718 N GLU A 110 -3.699 5.972 5.727 1.00 0.00 N ATOM 1719 CA GLU A 110 -3.397 4.773 6.499 1.00 0.00 C ATOM 1720 C GLU A 110 -4.274 3.603 6.057 1.00 0.00 C ATOM 1721 O GLU A 110 -3.858 2.445 6.105 1.00 0.00 O ATOM 1722 CB GLU A 110 -3.594 5.039 7.993 1.00 0.00 C ATOM 1723 CG GLU A 110 -2.479 4.480 8.862 1.00 0.00 C ATOM 1724 CD GLU A 110 -1.274 5.397 8.926 1.00 0.00 C ATOM 1725 OE1 GLU A 110 -1.338 6.413 9.650 1.00 0.00 O ATOM 1726 OE2 GLU A 110 -0.265 5.101 8.253 1.00 0.00 O ATOM 0 H GLU A 110 -4.226 6.681 6.237 1.00 0.00 H new ATOM 0 HA GLU A 110 -2.355 4.509 6.319 1.00 0.00 H new ATOM 0 HB2 GLU A 110 -3.666 6.114 8.156 1.00 0.00 H new ATOM 0 HB3 GLU A 110 -4.542 4.605 8.309 1.00 0.00 H new ATOM 0 HG2 GLU A 110 -2.858 4.314 9.870 1.00 0.00 H new ATOM 0 HG3 GLU A 110 -2.172 3.509 8.473 1.00 0.00 H new ATOM 1733 N GLU A 111 -5.500 3.916 5.643 1.00 0.00 N ATOM 1734 CA GLU A 111 -6.451 2.896 5.212 1.00 0.00 C ATOM 1735 C GLU A 111 -6.093 2.315 3.846 1.00 0.00 C ATOM 1736 O GLU A 111 -6.317 1.130 3.595 1.00 0.00 O ATOM 1737 CB GLU A 111 -7.867 3.479 5.172 1.00 0.00 C ATOM 1738 CG GLU A 111 -8.814 2.843 6.177 1.00 0.00 C ATOM 1739 CD GLU A 111 -8.862 3.595 7.492 1.00 0.00 C ATOM 1740 OE1 GLU A 111 -7.783 3.945 8.014 1.00 0.00 O ATOM 1741 OE2 GLU A 111 -9.978 3.835 7.997 1.00 0.00 O ATOM 0 H GLU A 111 -5.858 4.870 5.597 1.00 0.00 H new ATOM 0 HA GLU A 111 -6.406 2.084 5.938 1.00 0.00 H new ATOM 0 HB2 GLU A 111 -7.815 4.551 5.362 1.00 0.00 H new ATOM 0 HB3 GLU A 111 -8.275 3.352 4.169 1.00 0.00 H new ATOM 0 HG2 GLU A 111 -9.816 2.802 5.750 1.00 0.00 H new ATOM 0 HG3 GLU A 111 -8.504 1.815 6.362 1.00 0.00 H new ATOM 1748 N ARG A 112 -5.548 3.138 2.957 1.00 0.00 N ATOM 1749 CA ARG A 112 -5.191 2.667 1.621 1.00 0.00 C ATOM 1750 C ARG A 112 -4.235 1.479 1.697 1.00 0.00 C ATOM 1751 O ARG A 112 -4.408 0.485 0.990 1.00 0.00 O ATOM 1752 CB ARG A 112 -4.573 3.797 0.790 1.00 0.00 C ATOM 1753 CG ARG A 112 -3.181 4.206 1.241 1.00 0.00 C ATOM 1754 CD ARG A 112 -2.102 3.463 0.470 1.00 0.00 C ATOM 1755 NE ARG A 112 -0.962 4.324 0.159 1.00 0.00 N ATOM 1756 CZ ARG A 112 0.267 3.872 -0.081 1.00 0.00 C ATOM 1757 NH1 ARG A 112 0.524 2.571 -0.052 1.00 0.00 N ATOM 1758 NH2 ARG A 112 1.244 4.727 -0.354 1.00 0.00 N ATOM 0 H ARG A 112 -5.345 4.122 3.132 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.106 2.339 1.129 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -4.528 3.484 -0.253 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -5.228 4.667 0.834 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -3.054 5.280 1.103 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -3.070 4.007 2.307 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -1.762 2.608 1.054 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -2.523 3.070 -0.455 1.00 0.00 H new ATOM 0 HE ARG A 112 -1.118 5.331 0.124 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -0.223 1.908 0.155 1.00 0.00 H new ATOM 0 HH12 ARG A 112 1.469 2.233 -0.237 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.053 5.729 -0.380 1.00 0.00 H new ATOM 0 HH22 ARG A 112 2.186 4.383 -0.538 1.00 0.00 H new ATOM 1772 N ASP A 113 -3.233 1.579 2.564 1.00 0.00 N ATOM 1773 CA ASP A 113 -2.264 0.505 2.731 1.00 0.00 C ATOM 1774 C ASP A 113 -2.869 -0.655 3.510 1.00 0.00 C ATOM 1775 O ASP A 113 -2.783 -1.809 3.090 1.00 0.00 O ATOM 1776 CB ASP A 113 -1.009 1.020 3.438 1.00 0.00 C ATOM 1777 CG ASP A 113 0.266 0.565 2.757 1.00 0.00 C ATOM 1778 OD1 ASP A 113 0.209 -0.412 1.980 1.00 0.00 O ATOM 1779 OD2 ASP A 113 1.324 1.185 3.000 1.00 0.00 O ATOM 0 H ASP A 113 -3.072 2.391 3.160 1.00 0.00 H new ATOM 0 HA ASP A 113 -1.985 0.145 1.741 1.00 0.00 H new ATOM 0 HB2 ASP A 113 -1.033 2.109 3.467 1.00 0.00 H new ATOM 0 HB3 ASP A 113 -1.009 0.673 4.471 1.00 0.00 H new ATOM 1784 N ALA A 114 -3.489 -0.346 4.647 1.00 0.00 N ATOM 1785 CA ALA A 114 -4.111 -1.374 5.472 1.00 0.00 C ATOM 1786 C ALA A 114 -5.061 -2.222 4.642 1.00 0.00 C ATOM 1787 O ALA A 114 -4.959 -3.445 4.626 1.00 0.00 O ATOM 1788 CB ALA A 114 -4.843 -0.743 6.648 1.00 0.00 C ATOM 0 H ALA A 114 -3.573 0.602 5.014 1.00 0.00 H new ATOM 0 HA ALA A 114 -3.327 -2.022 5.864 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -5.301 -1.525 7.253 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -4.136 -0.180 7.257 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -5.617 -0.071 6.277 1.00 0.00 H new ATOM 1794 N TRP A 115 -5.976 -1.561 3.942 1.00 0.00 N ATOM 1795 CA TRP A 115 -6.933 -2.251 3.090 1.00 0.00 C ATOM 1796 C TRP A 115 -6.220 -3.118 2.062 1.00 0.00 C ATOM 1797 O TRP A 115 -6.490 -4.314 1.957 1.00 0.00 O ATOM 1798 CB TRP A 115 -7.823 -1.236 2.390 1.00 0.00 C ATOM 1799 CG TRP A 115 -8.998 -0.843 3.219 1.00 0.00 C ATOM 1800 CD1 TRP A 115 -9.121 0.271 3.992 1.00 0.00 C ATOM 1801 CD2 TRP A 115 -10.204 -1.580 3.383 1.00 0.00 C ATOM 1802 NE1 TRP A 115 -10.341 0.285 4.606 1.00 0.00 N ATOM 1803 CE2 TRP A 115 -11.028 -0.844 4.249 1.00 0.00 C ATOM 1804 CE3 TRP A 115 -10.674 -2.790 2.876 1.00 0.00 C ATOM 1805 CZ2 TRP A 115 -12.293 -1.280 4.614 1.00 0.00 C ATOM 1806 CZ3 TRP A 115 -11.932 -3.214 3.249 1.00 0.00 C ATOM 1807 CH2 TRP A 115 -12.724 -2.465 4.103 1.00 0.00 C ATOM 0 H TRP A 115 -6.074 -0.546 3.949 1.00 0.00 H new ATOM 0 HA TRP A 115 -7.547 -2.900 3.715 1.00 0.00 H new ATOM 0 HB2 TRP A 115 -7.238 -0.348 2.150 1.00 0.00 H new ATOM 0 HB3 TRP A 115 -8.172 -1.653 1.445 1.00 0.00 H new ATOM 0 HD1 TRP A 115 -8.364 1.033 4.104 1.00 0.00 H new ATOM 0 HE1 TRP A 115 -10.684 1.017 5.228 1.00 0.00 H new ATOM 0 HE3 TRP A 115 -10.067 -3.382 2.207 1.00 0.00 H new ATOM 0 HZ2 TRP A 115 -12.914 -0.699 5.280 1.00 0.00 H new ATOM 0 HZ3 TRP A 115 -12.308 -4.151 2.866 1.00 0.00 H new ATOM 0 HH2 TRP A 115 -13.705 -2.829 4.369 1.00 0.00 H new ATOM 1818 N VAL A 116 -5.299 -2.520 1.310 1.00 0.00 N ATOM 1819 CA VAL A 116 -4.555 -3.266 0.304 1.00 0.00 C ATOM 1820 C VAL A 116 -3.866 -4.470 0.941 1.00 0.00 C ATOM 1821 O VAL A 116 -3.761 -5.537 0.331 1.00 0.00 O ATOM 1822 CB VAL A 116 -3.511 -2.373 -0.403 1.00 0.00 C ATOM 1823 CG1 VAL A 116 -2.652 -3.188 -1.360 1.00 0.00 C ATOM 1824 CG2 VAL A 116 -4.200 -1.233 -1.137 1.00 0.00 C ATOM 0 H VAL A 116 -5.053 -1.532 1.378 1.00 0.00 H new ATOM 0 HA VAL A 116 -5.266 -3.613 -0.446 1.00 0.00 H new ATOM 0 HB VAL A 116 -2.854 -1.950 0.357 1.00 0.00 H new ATOM 0 HG11 VAL A 116 -1.926 -2.534 -1.844 1.00 0.00 H new ATOM 0 HG12 VAL A 116 -2.127 -3.966 -0.805 1.00 0.00 H new ATOM 0 HG13 VAL A 116 -3.287 -3.648 -2.117 1.00 0.00 H new ATOM 0 HG21 VAL A 116 -3.452 -0.613 -1.630 1.00 0.00 H new ATOM 0 HG22 VAL A 116 -4.882 -1.640 -1.883 1.00 0.00 H new ATOM 0 HG23 VAL A 116 -4.761 -0.628 -0.425 1.00 0.00 H new ATOM 1834 N GLN A 117 -3.417 -4.297 2.183 1.00 0.00 N ATOM 1835 CA GLN A 117 -2.758 -5.372 2.908 1.00 0.00 C ATOM 1836 C GLN A 117 -3.786 -6.349 3.470 1.00 0.00 C ATOM 1837 O GLN A 117 -3.506 -7.537 3.624 1.00 0.00 O ATOM 1838 CB GLN A 117 -1.895 -4.804 4.039 1.00 0.00 C ATOM 1839 CG GLN A 117 -0.403 -4.898 3.772 1.00 0.00 C ATOM 1840 CD GLN A 117 0.082 -3.853 2.786 1.00 0.00 C ATOM 1841 OE1 GLN A 117 0.016 -2.653 3.052 1.00 0.00 O ATOM 1842 NE2 GLN A 117 0.574 -4.306 1.638 1.00 0.00 N ATOM 0 H GLN A 117 -3.499 -3.424 2.704 1.00 0.00 H new ATOM 0 HA GLN A 117 -2.113 -5.909 2.212 1.00 0.00 H new ATOM 0 HB2 GLN A 117 -2.162 -3.759 4.199 1.00 0.00 H new ATOM 0 HB3 GLN A 117 -2.125 -5.336 4.962 1.00 0.00 H new ATOM 0 HG2 GLN A 117 0.138 -4.784 4.711 1.00 0.00 H new ATOM 0 HG3 GLN A 117 -0.169 -5.891 3.388 1.00 0.00 H new ATOM 0 HE21 GLN A 117 0.610 -5.310 1.459 1.00 0.00 H new ATOM 0 HE22 GLN A 117 0.916 -3.650 0.936 1.00 0.00 H new ATOM 1851 N ALA A 118 -4.979 -5.841 3.766 1.00 0.00 N ATOM 1852 CA ALA A 118 -6.050 -6.671 4.301 1.00 0.00 C ATOM 1853 C ALA A 118 -6.511 -7.679 3.262 1.00 0.00 C ATOM 1854 O ALA A 118 -6.589 -8.878 3.531 1.00 0.00 O ATOM 1855 CB ALA A 118 -7.214 -5.808 4.761 1.00 0.00 C ATOM 0 H ALA A 118 -5.227 -4.859 3.644 1.00 0.00 H new ATOM 0 HA ALA A 118 -5.666 -7.217 5.163 1.00 0.00 H new ATOM 0 HB1 ALA A 118 -8.005 -6.445 5.158 1.00 0.00 H new ATOM 0 HB2 ALA A 118 -6.875 -5.124 5.539 1.00 0.00 H new ATOM 0 HB3 ALA A 118 -7.598 -5.236 3.917 1.00 0.00 H new ATOM 1861 N ILE A 119 -6.803 -7.182 2.068 1.00 0.00 N ATOM 1862 CA ILE A 119 -7.242 -8.038 0.977 1.00 0.00 C ATOM 1863 C ILE A 119 -6.128 -9.006 0.590 1.00 0.00 C ATOM 1864 O ILE A 119 -6.361 -10.205 0.450 1.00 0.00 O ATOM 1865 CB ILE A 119 -7.682 -7.202 -0.253 1.00 0.00 C ATOM 1866 CG1 ILE A 119 -8.978 -6.450 0.061 1.00 0.00 C ATOM 1867 CG2 ILE A 119 -7.871 -8.085 -1.485 1.00 0.00 C ATOM 1868 CD1 ILE A 119 -8.764 -5.130 0.769 1.00 0.00 C ATOM 0 H ILE A 119 -6.744 -6.192 1.831 1.00 0.00 H new ATOM 0 HA ILE A 119 -8.106 -8.607 1.320 1.00 0.00 H new ATOM 0 HB ILE A 119 -6.893 -6.483 -0.473 1.00 0.00 H new ATOM 0 HG12 ILE A 119 -9.516 -6.269 -0.869 1.00 0.00 H new ATOM 0 HG13 ILE A 119 -9.614 -7.084 0.679 1.00 0.00 H new ATOM 0 HG21 ILE A 119 -8.179 -7.469 -2.330 1.00 0.00 H new ATOM 0 HG22 ILE A 119 -6.931 -8.584 -1.723 1.00 0.00 H new ATOM 0 HG23 ILE A 119 -8.637 -8.833 -1.282 1.00 0.00 H new ATOM 0 HD11 ILE A 119 -9.728 -4.657 0.957 1.00 0.00 H new ATOM 0 HD12 ILE A 119 -8.254 -5.304 1.717 1.00 0.00 H new ATOM 0 HD13 ILE A 119 -8.155 -4.476 0.144 1.00 0.00 H new ATOM 1880 N GLU A 120 -4.912 -8.486 0.437 1.00 0.00 N ATOM 1881 CA GLU A 120 -3.775 -9.327 0.087 1.00 0.00 C ATOM 1882 C GLU A 120 -3.483 -10.315 1.210 1.00 0.00 C ATOM 1883 O GLU A 120 -3.043 -11.438 0.965 1.00 0.00 O ATOM 1884 CB GLU A 120 -2.539 -8.466 -0.191 1.00 0.00 C ATOM 1885 CG GLU A 120 -2.645 -7.649 -1.468 1.00 0.00 C ATOM 1886 CD GLU A 120 -1.732 -8.160 -2.566 1.00 0.00 C ATOM 1887 OE1 GLU A 120 -0.517 -8.295 -2.311 1.00 0.00 O ATOM 1888 OE2 GLU A 120 -2.234 -8.424 -3.679 1.00 0.00 O ATOM 0 H GLU A 120 -4.692 -7.496 0.549 1.00 0.00 H new ATOM 0 HA GLU A 120 -4.023 -9.885 -0.816 1.00 0.00 H new ATOM 0 HB2 GLU A 120 -2.379 -7.792 0.650 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -1.663 -9.111 -0.253 1.00 0.00 H new ATOM 0 HG2 GLU A 120 -3.676 -7.666 -1.821 1.00 0.00 H new ATOM 0 HG3 GLU A 120 -2.399 -6.609 -1.251 1.00 0.00 H new ATOM 1895 N SER A 121 -3.737 -9.891 2.446 1.00 0.00 N ATOM 1896 CA SER A 121 -3.509 -10.741 3.608 1.00 0.00 C ATOM 1897 C SER A 121 -4.509 -11.889 3.638 1.00 0.00 C ATOM 1898 O SER A 121 -4.136 -13.048 3.822 1.00 0.00 O ATOM 1899 CB SER A 121 -3.613 -9.925 4.898 1.00 0.00 C ATOM 1900 OG SER A 121 -2.413 -9.215 5.149 1.00 0.00 O ATOM 0 H SER A 121 -4.101 -8.964 2.667 1.00 0.00 H new ATOM 0 HA SER A 121 -2.503 -11.155 3.533 1.00 0.00 H new ATOM 0 HB2 SER A 121 -4.445 -9.225 4.823 1.00 0.00 H new ATOM 0 HB3 SER A 121 -3.829 -10.588 5.735 1.00 0.00 H new ATOM 0 HG SER A 121 -2.516 -8.285 4.856 1.00 0.00 H new ATOM 1906 N GLN A 122 -5.781 -11.558 3.448 1.00 0.00 N ATOM 1907 CA GLN A 122 -6.837 -12.565 3.446 1.00 0.00 C ATOM 1908 C GLN A 122 -6.605 -13.579 2.333 1.00 0.00 C ATOM 1909 O GLN A 122 -6.934 -14.756 2.471 1.00 0.00 O ATOM 1910 CB GLN A 122 -8.204 -11.901 3.275 1.00 0.00 C ATOM 1911 CG GLN A 122 -8.935 -11.670 4.586 1.00 0.00 C ATOM 1912 CD GLN A 122 -8.208 -10.697 5.493 1.00 0.00 C ATOM 1913 OE1 GLN A 122 -8.247 -9.486 5.280 1.00 0.00 O ATOM 1914 NE2 GLN A 122 -7.537 -11.225 6.511 1.00 0.00 N ATOM 0 H GLN A 122 -6.106 -10.604 3.294 1.00 0.00 H new ATOM 0 HA GLN A 122 -6.817 -13.087 4.403 1.00 0.00 H new ATOM 0 HB2 GLN A 122 -8.074 -10.945 2.768 1.00 0.00 H new ATOM 0 HB3 GLN A 122 -8.823 -12.523 2.628 1.00 0.00 H new ATOM 0 HG2 GLN A 122 -9.935 -11.290 4.378 1.00 0.00 H new ATOM 0 HG3 GLN A 122 -9.057 -12.622 5.103 1.00 0.00 H new ATOM 0 HE21 GLN A 122 -7.532 -12.236 6.649 1.00 0.00 H new ATOM 0 HE22 GLN A 122 -7.027 -10.620 7.154 1.00 0.00 H new ATOM 1923 N ILE A 123 -6.030 -13.110 1.229 1.00 0.00 N ATOM 1924 CA ILE A 123 -5.747 -13.973 0.091 1.00 0.00 C ATOM 1925 C ILE A 123 -4.581 -14.906 0.394 1.00 0.00 C ATOM 1926 O ILE A 123 -4.572 -16.060 -0.031 1.00 0.00 O ATOM 1927 CB ILE A 123 -5.435 -13.146 -1.174 1.00 0.00 C ATOM 1928 CG1 ILE A 123 -6.629 -12.266 -1.545 1.00 0.00 C ATOM 1929 CG2 ILE A 123 -5.073 -14.058 -2.335 1.00 0.00 C ATOM 1930 CD1 ILE A 123 -6.251 -11.032 -2.334 1.00 0.00 C ATOM 0 H ILE A 123 -5.752 -12.137 1.100 1.00 0.00 H new ATOM 0 HA ILE A 123 -6.640 -14.570 -0.095 1.00 0.00 H new ATOM 0 HB ILE A 123 -4.581 -12.504 -0.960 1.00 0.00 H new ATOM 0 HG12 ILE A 123 -7.337 -12.856 -2.127 1.00 0.00 H new ATOM 0 HG13 ILE A 123 -7.142 -11.961 -0.633 1.00 0.00 H new ATOM 0 HG21 ILE A 123 -4.857 -13.455 -3.217 1.00 0.00 H new ATOM 0 HG22 ILE A 123 -4.194 -14.648 -2.074 1.00 0.00 H new ATOM 0 HG23 ILE A 123 -5.908 -14.725 -2.547 1.00 0.00 H new ATOM 0 HD11 ILE A 123 -7.148 -10.457 -2.561 1.00 0.00 H new ATOM 0 HD12 ILE A 123 -5.567 -10.420 -1.747 1.00 0.00 H new ATOM 0 HD13 ILE A 123 -5.765 -11.329 -3.263 1.00 0.00 H new ATOM 1942 N LEU A 124 -3.601 -14.398 1.135 1.00 0.00 N ATOM 1943 CA LEU A 124 -2.434 -15.192 1.497 1.00 0.00 C ATOM 1944 C LEU A 124 -2.816 -16.299 2.472 1.00 0.00 C ATOM 1945 O LEU A 124 -2.290 -17.411 2.403 1.00 0.00 O ATOM 1946 CB LEU A 124 -1.355 -14.301 2.115 1.00 0.00 C ATOM 1947 CG LEU A 124 -0.055 -15.016 2.484 1.00 0.00 C ATOM 1948 CD1 LEU A 124 0.517 -15.740 1.275 1.00 0.00 C ATOM 1949 CD2 LEU A 124 0.956 -14.027 3.044 1.00 0.00 C ATOM 0 H LEU A 124 -3.592 -13.444 1.495 1.00 0.00 H new ATOM 0 HA LEU A 124 -2.039 -15.649 0.590 1.00 0.00 H new ATOM 0 HB2 LEU A 124 -1.124 -13.498 1.415 1.00 0.00 H new ATOM 0 HB3 LEU A 124 -1.762 -13.834 3.012 1.00 0.00 H new ATOM 0 HG LEU A 124 -0.274 -15.756 3.254 1.00 0.00 H new ATOM 0 HD11 LEU A 124 1.442 -16.243 1.556 1.00 0.00 H new ATOM 0 HD12 LEU A 124 -0.203 -16.477 0.918 1.00 0.00 H new ATOM 0 HD13 LEU A 124 0.722 -15.020 0.483 1.00 0.00 H new ATOM 0 HD21 LEU A 124 1.875 -14.553 3.301 1.00 0.00 H new ATOM 0 HD22 LEU A 124 1.172 -13.264 2.296 1.00 0.00 H new ATOM 0 HD23 LEU A 124 0.546 -13.554 3.937 1.00 0.00 H new ATOM 1961 N ALA A 125 -3.737 -15.990 3.379 1.00 0.00 N ATOM 1962 CA ALA A 125 -4.193 -16.960 4.367 1.00 0.00 C ATOM 1963 C ALA A 125 -5.149 -17.970 3.742 1.00 0.00 C ATOM 1964 O ALA A 125 -5.235 -19.115 4.185 1.00 0.00 O ATOM 1965 CB ALA A 125 -4.862 -16.249 5.534 1.00 0.00 C ATOM 0 H ALA A 125 -4.182 -15.075 3.450 1.00 0.00 H new ATOM 0 HA ALA A 125 -3.323 -17.503 4.737 1.00 0.00 H new ATOM 0 HB1 ALA A 125 -5.198 -16.985 6.264 1.00 0.00 H new ATOM 0 HB2 ALA A 125 -4.150 -15.571 6.004 1.00 0.00 H new ATOM 0 HB3 ALA A 125 -5.719 -15.681 5.171 1.00 0.00 H new ATOM 1971 N SER A 126 -5.867 -17.537 2.708 1.00 0.00 N ATOM 1972 CA SER A 126 -6.819 -18.403 2.022 1.00 0.00 C ATOM 1973 C SER A 126 -6.107 -19.325 1.035 1.00 0.00 C ATOM 1974 O SER A 126 -6.548 -20.448 0.796 1.00 0.00 O ATOM 1975 CB SER A 126 -7.866 -17.564 1.288 1.00 0.00 C ATOM 1976 OG SER A 126 -9.123 -18.219 1.268 1.00 0.00 O ATOM 0 H SER A 126 -5.807 -16.592 2.328 1.00 0.00 H new ATOM 0 HA SER A 126 -7.316 -19.019 2.772 1.00 0.00 H new ATOM 0 HB2 SER A 126 -7.966 -16.594 1.775 1.00 0.00 H new ATOM 0 HB3 SER A 126 -7.535 -17.375 0.267 1.00 0.00 H new ATOM 0 HG SER A 126 -9.809 -17.601 0.940 1.00 0.00 H new