USER MOD reduce.3.24.130724 H: found=0, std=0, add=901, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 897 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 10 TYR OH : rot 51:sc= 1.2 USER MOD Set 1.2: A 101 GLN : amide:sc= 0.885 K(o=2.1,f=-3!) 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 9 SER OG : rot 180:sc= 0 USER MOD Single : A 15 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 LYS NZ :NH3+ -175:sc= 0.897 (180deg=0.869) USER MOD Single : A 34 THR OG1 : rot -62:sc= 1.03 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 HIS :FLIP no HE2:sc= -2.55 F(o=-4.6!,f=-2.6) USER MOD Single : A 37 GLN : amide:sc= -3.06! C(o=-3.1!,f=-2.8!) USER MOD Single : A 40 TYR OH : rot 56:sc= 0.67 USER MOD Single : A 41 TYR OH : rot 180:sc= -0.323 USER MOD Single : A 43 HIS :FLIP no HE2:sc= -0.282 F(o=-1.2,f=-0.28) USER MOD Single : A 45 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot 160:sc= -1.88! USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 65 THR OG1 : rot 180:sc= -2.52! USER MOD Single : A 67 THR OG1 : rot 180:sc= -0.11 USER MOD Single : A 72 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= -0.0883 USER MOD Single : A 77 LYS NZ :NH3+ 165:sc= -0.0588 (180deg=-0.433) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 84 THR OG1 : rot 54:sc= -0.0561 USER MOD Single : A 85 THR OG1 : rot 178:sc= 1.05 USER MOD Single : A 89 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 ASN : amide:sc= -1.86 X(o=-1.9,f=-2.1) USER MOD Single : A 92 CYS SG : rot -176:sc= -1.11 USER MOD Single : A 94 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 98 SER OG : rot -160:sc= -2.06 USER MOD Single : A 100 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 107 GLN : amide:sc= -2.5! C(o=-2.5!,f=-4.7!) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 109 CYS SG : rot 160:sc= -0.251 USER MOD Single : A 111 SER OG : rot 9:sc= 1.04 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD Single : A 115 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot 48:sc= 1.27 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -19.521 -6.388 -11.248 1.00 0.00 N ATOM 2 CA GLY A 1 -18.253 -5.679 -11.248 1.00 0.00 C ATOM 3 C GLY A 1 -17.085 -6.643 -11.027 1.00 0.00 C ATOM 4 O GLY A 1 -16.482 -7.122 -11.986 1.00 0.00 O ATOM 0 H1 GLY A 1 -20.297 -5.712 -11.400 1.00 0.00 H new ATOM 0 H2 GLY A 1 -19.524 -7.095 -12.011 1.00 0.00 H new ATOM 0 H3 GLY A 1 -19.652 -6.865 -10.333 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -18.124 -5.157 -12.196 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -18.256 -4.921 -10.465 1.00 0.00 H new ATOM 8 N SER A 2 -16.803 -6.899 -9.758 1.00 0.00 N ATOM 9 CA SER A 2 -15.719 -7.797 -9.399 1.00 0.00 C ATOM 10 C SER A 2 -14.400 -7.285 -9.983 1.00 0.00 C ATOM 11 O SER A 2 -14.213 -7.287 -11.199 1.00 0.00 O ATOM 12 CB SER A 2 -15.998 -9.220 -9.887 1.00 0.00 C ATOM 13 OG SER A 2 -16.385 -10.083 -8.821 1.00 0.00 O ATOM 0 H SER A 2 -17.307 -6.500 -8.966 1.00 0.00 H new ATOM 0 HA SER A 2 -15.642 -7.823 -8.312 1.00 0.00 H new ATOM 0 HB2 SER A 2 -16.786 -9.197 -10.640 1.00 0.00 H new ATOM 0 HB3 SER A 2 -15.106 -9.619 -10.371 1.00 0.00 H new ATOM 0 HG SER A 2 -16.556 -10.981 -9.173 1.00 0.00 H new ATOM 19 N SER A 3 -13.520 -6.859 -9.089 1.00 0.00 N ATOM 20 CA SER A 3 -12.224 -6.346 -9.500 1.00 0.00 C ATOM 21 C SER A 3 -11.120 -7.323 -9.092 1.00 0.00 C ATOM 22 O SER A 3 -11.200 -7.949 -8.036 1.00 0.00 O ATOM 23 CB SER A 3 -11.961 -4.965 -8.895 1.00 0.00 C ATOM 24 OG SER A 3 -12.935 -4.009 -9.305 1.00 0.00 O ATOM 0 H SER A 3 -13.679 -6.859 -8.081 1.00 0.00 H new ATOM 0 HA SER A 3 -12.226 -6.243 -10.585 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.961 -5.039 -7.808 1.00 0.00 H new ATOM 0 HB3 SER A 3 -10.969 -4.622 -9.191 1.00 0.00 H new ATOM 0 HG SER A 3 -12.734 -3.141 -8.897 1.00 0.00 H new ATOM 30 N GLY A 4 -10.116 -7.423 -9.950 1.00 0.00 N ATOM 31 CA GLY A 4 -8.997 -8.314 -9.692 1.00 0.00 C ATOM 32 C GLY A 4 -7.689 -7.718 -10.216 1.00 0.00 C ATOM 33 O GLY A 4 -6.805 -7.369 -9.436 1.00 0.00 O ATOM 0 H GLY A 4 -10.054 -6.902 -10.825 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -8.914 -8.498 -8.621 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -9.178 -9.278 -10.168 1.00 0.00 H new ATOM 37 N SER A 5 -7.608 -7.620 -11.535 1.00 0.00 N ATOM 38 CA SER A 5 -6.423 -7.072 -12.173 1.00 0.00 C ATOM 39 C SER A 5 -5.250 -8.042 -12.019 1.00 0.00 C ATOM 40 O SER A 5 -4.765 -8.264 -10.911 1.00 0.00 O ATOM 41 CB SER A 5 -6.063 -5.706 -11.585 1.00 0.00 C ATOM 42 OG SER A 5 -5.490 -4.839 -12.561 1.00 0.00 O ATOM 0 H SER A 5 -8.344 -7.911 -12.179 1.00 0.00 H new ATOM 0 HA SER A 5 -6.637 -6.936 -13.233 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.958 -5.243 -11.169 1.00 0.00 H new ATOM 0 HB3 SER A 5 -5.361 -5.839 -10.762 1.00 0.00 H new ATOM 0 HG SER A 5 -5.276 -3.977 -12.147 1.00 0.00 H new ATOM 48 N SER A 6 -4.828 -8.593 -13.147 1.00 0.00 N ATOM 49 CA SER A 6 -3.721 -9.535 -13.152 1.00 0.00 C ATOM 50 C SER A 6 -2.625 -9.049 -14.103 1.00 0.00 C ATOM 51 O SER A 6 -2.891 -8.771 -15.271 1.00 0.00 O ATOM 52 CB SER A 6 -4.190 -10.935 -13.552 1.00 0.00 C ATOM 53 OG SER A 6 -4.943 -11.562 -12.518 1.00 0.00 O ATOM 0 H SER A 6 -5.232 -8.405 -14.064 1.00 0.00 H new ATOM 0 HA SER A 6 -3.317 -9.593 -12.141 1.00 0.00 H new ATOM 0 HB2 SER A 6 -4.798 -10.869 -14.454 1.00 0.00 H new ATOM 0 HB3 SER A 6 -3.325 -11.552 -13.795 1.00 0.00 H new ATOM 0 HG SER A 6 -5.225 -12.453 -12.813 1.00 0.00 H new ATOM 59 N GLY A 7 -1.416 -8.963 -13.567 1.00 0.00 N ATOM 60 CA GLY A 7 -0.279 -8.517 -14.354 1.00 0.00 C ATOM 61 C GLY A 7 0.284 -7.203 -13.807 1.00 0.00 C ATOM 62 O GLY A 7 1.455 -6.891 -14.017 1.00 0.00 O ATOM 0 H GLY A 7 -1.199 -9.195 -12.598 1.00 0.00 H new ATOM 0 HA2 GLY A 7 0.498 -9.282 -14.344 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -0.581 -8.383 -15.393 1.00 0.00 H new ATOM 66 N ARG A 8 -0.576 -6.470 -13.117 1.00 0.00 N ATOM 67 CA ARG A 8 -0.179 -5.197 -12.538 1.00 0.00 C ATOM 68 C ARG A 8 -0.880 -4.983 -11.195 1.00 0.00 C ATOM 69 O ARG A 8 -1.567 -5.875 -10.700 1.00 0.00 O ATOM 70 CB ARG A 8 -0.519 -4.036 -13.474 1.00 0.00 C ATOM 71 CG ARG A 8 0.397 -4.033 -14.700 1.00 0.00 C ATOM 72 CD ARG A 8 1.698 -3.284 -14.410 1.00 0.00 C ATOM 73 NE ARG A 8 2.859 -4.126 -14.776 1.00 0.00 N ATOM 74 CZ ARG A 8 4.129 -3.831 -14.464 1.00 0.00 C ATOM 75 NH1 ARG A 8 4.409 -2.713 -13.780 1.00 0.00 N ATOM 76 NH2 ARG A 8 5.119 -4.653 -14.838 1.00 0.00 N ATOM 0 H ARG A 8 -1.547 -6.733 -12.945 1.00 0.00 H new ATOM 0 HA ARG A 8 0.900 -5.223 -12.388 1.00 0.00 H new ATOM 0 HB2 ARG A 8 -1.559 -4.114 -13.793 1.00 0.00 H new ATOM 0 HB3 ARG A 8 -0.419 -3.092 -12.939 1.00 0.00 H new ATOM 0 HG2 ARG A 8 0.621 -5.059 -14.993 1.00 0.00 H new ATOM 0 HG3 ARG A 8 -0.116 -3.566 -15.541 1.00 0.00 H new ATOM 0 HD2 ARG A 8 1.723 -2.351 -14.973 1.00 0.00 H new ATOM 0 HD3 ARG A 8 1.748 -3.021 -13.353 1.00 0.00 H new ATOM 0 HE ARG A 8 2.682 -4.984 -15.298 1.00 0.00 H new ATOM 0 HH11 ARG A 8 3.656 -2.086 -13.497 1.00 0.00 H new ATOM 0 HH12 ARG A 8 5.375 -2.489 -13.543 1.00 0.00 H new ATOM 0 HH21 ARG A 8 4.906 -5.503 -15.360 1.00 0.00 H new ATOM 0 HH22 ARG A 8 6.085 -4.429 -14.601 1.00 0.00 H new ATOM 90 N SER A 9 -0.682 -3.795 -10.643 1.00 0.00 N ATOM 91 CA SER A 9 -1.287 -3.452 -9.367 1.00 0.00 C ATOM 92 C SER A 9 -2.331 -2.351 -9.562 1.00 0.00 C ATOM 93 O SER A 9 -2.693 -2.027 -10.692 1.00 0.00 O ATOM 94 CB SER A 9 -0.227 -3.006 -8.358 1.00 0.00 C ATOM 95 OG SER A 9 1.026 -2.739 -8.982 1.00 0.00 O ATOM 0 H SER A 9 -0.111 -3.058 -11.056 1.00 0.00 H new ATOM 0 HA SER A 9 -1.777 -4.341 -8.970 1.00 0.00 H new ATOM 0 HB2 SER A 9 -0.573 -2.111 -7.841 1.00 0.00 H new ATOM 0 HB3 SER A 9 -0.098 -3.780 -7.602 1.00 0.00 H new ATOM 0 HG SER A 9 1.675 -2.456 -8.305 1.00 0.00 H new ATOM 101 N TYR A 10 -2.785 -1.806 -8.443 1.00 0.00 N ATOM 102 CA TYR A 10 -3.780 -0.748 -8.477 1.00 0.00 C ATOM 103 C TYR A 10 -3.126 0.626 -8.312 1.00 0.00 C ATOM 104 O TYR A 10 -2.077 0.746 -7.681 1.00 0.00 O ATOM 105 CB TYR A 10 -4.708 -1.004 -7.287 1.00 0.00 C ATOM 106 CG TYR A 10 -6.032 -0.241 -7.355 1.00 0.00 C ATOM 107 CD1 TYR A 10 -7.026 -0.659 -8.217 1.00 0.00 C ATOM 108 CD2 TYR A 10 -6.234 0.865 -6.555 1.00 0.00 C ATOM 109 CE1 TYR A 10 -8.272 0.059 -8.282 1.00 0.00 C ATOM 110 CE2 TYR A 10 -7.480 1.583 -6.619 1.00 0.00 C ATOM 111 CZ TYR A 10 -8.438 1.145 -7.479 1.00 0.00 C ATOM 112 OH TYR A 10 -9.615 1.823 -7.540 1.00 0.00 O ATOM 0 H TYR A 10 -2.482 -2.077 -7.508 1.00 0.00 H new ATOM 0 HA TYR A 10 -4.310 -0.750 -9.429 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -4.919 -2.072 -7.227 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -4.189 -0.729 -6.369 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -6.869 -1.525 -8.843 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -5.457 1.192 -5.880 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -9.057 -0.257 -8.953 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -7.650 2.450 -5.998 1.00 0.00 H new ATOM 0 HH TYR A 10 -10.360 1.194 -7.445 1.00 0.00 H new ATOM 122 N GLU A 11 -3.773 1.627 -8.891 1.00 0.00 N ATOM 123 CA GLU A 11 -3.268 2.987 -8.816 1.00 0.00 C ATOM 124 C GLU A 11 -4.426 3.976 -8.669 1.00 0.00 C ATOM 125 O GLU A 11 -5.572 3.644 -8.966 1.00 0.00 O ATOM 126 CB GLU A 11 -2.412 3.322 -10.039 1.00 0.00 C ATOM 127 CG GLU A 11 -3.205 3.124 -11.333 1.00 0.00 C ATOM 128 CD GLU A 11 -3.046 1.697 -11.861 1.00 0.00 C ATOM 129 OE1 GLU A 11 -3.742 0.811 -11.320 1.00 0.00 O ATOM 130 OE2 GLU A 11 -2.232 1.524 -12.794 1.00 0.00 O ATOM 0 H GLU A 11 -4.643 1.523 -9.414 1.00 0.00 H new ATOM 0 HA GLU A 11 -2.632 3.070 -7.935 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -2.066 4.354 -9.974 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -1.525 2.689 -10.051 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -4.259 3.334 -11.153 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -2.863 3.834 -12.086 1.00 0.00 H new ATOM 137 N GLY A 12 -4.086 5.172 -8.211 1.00 0.00 N ATOM 138 CA GLY A 12 -5.083 6.212 -8.021 1.00 0.00 C ATOM 139 C GLY A 12 -4.529 7.353 -7.165 1.00 0.00 C ATOM 140 O GLY A 12 -3.581 7.160 -6.405 1.00 0.00 O ATOM 0 H GLY A 12 -3.134 5.444 -7.966 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -5.399 6.600 -8.990 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -5.967 5.790 -7.543 1.00 0.00 H new ATOM 144 N ILE A 13 -5.144 8.517 -7.318 1.00 0.00 N ATOM 145 CA ILE A 13 -4.724 9.689 -6.569 1.00 0.00 C ATOM 146 C ILE A 13 -4.846 9.402 -5.071 1.00 0.00 C ATOM 147 O ILE A 13 -5.802 8.764 -4.633 1.00 0.00 O ATOM 148 CB ILE A 13 -5.504 10.924 -7.024 1.00 0.00 C ATOM 149 CG1 ILE A 13 -4.929 11.485 -8.326 1.00 0.00 C ATOM 150 CG2 ILE A 13 -5.555 11.979 -5.918 1.00 0.00 C ATOM 151 CD1 ILE A 13 -3.802 12.481 -8.044 1.00 0.00 C ATOM 0 H ILE A 13 -5.930 8.673 -7.949 1.00 0.00 H new ATOM 0 HA ILE A 13 -3.676 9.912 -6.767 1.00 0.00 H new ATOM 0 HB ILE A 13 -6.532 10.623 -7.228 1.00 0.00 H new ATOM 0 HG12 ILE A 13 -4.552 10.669 -8.943 1.00 0.00 H new ATOM 0 HG13 ILE A 13 -5.719 11.976 -8.895 1.00 0.00 H new ATOM 0 HG21 ILE A 13 -6.115 12.846 -6.268 1.00 0.00 H new ATOM 0 HG22 ILE A 13 -6.045 11.561 -5.039 1.00 0.00 H new ATOM 0 HG23 ILE A 13 -4.541 12.283 -5.658 1.00 0.00 H new ATOM 0 HD11 ILE A 13 -3.411 12.864 -8.986 1.00 0.00 H new ATOM 0 HD12 ILE A 13 -4.188 13.308 -7.448 1.00 0.00 H new ATOM 0 HD13 ILE A 13 -3.003 11.981 -7.496 1.00 0.00 H new ATOM 163 N LEU A 14 -3.864 9.888 -4.326 1.00 0.00 N ATOM 164 CA LEU A 14 -3.850 9.692 -2.886 1.00 0.00 C ATOM 165 C LEU A 14 -3.118 10.861 -2.224 1.00 0.00 C ATOM 166 O LEU A 14 -1.938 11.088 -2.487 1.00 0.00 O ATOM 167 CB LEU A 14 -3.264 8.323 -2.538 1.00 0.00 C ATOM 168 CG LEU A 14 -4.272 7.183 -2.375 1.00 0.00 C ATOM 169 CD1 LEU A 14 -3.571 5.884 -1.972 1.00 0.00 C ATOM 170 CD2 LEU A 14 -5.379 7.567 -1.392 1.00 0.00 C ATOM 0 H LEU A 14 -3.073 10.417 -4.692 1.00 0.00 H new ATOM 0 HA LEU A 14 -4.866 9.688 -2.492 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -2.554 8.045 -3.317 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -2.699 8.417 -1.611 1.00 0.00 H new ATOM 0 HG LEU A 14 -4.746 7.006 -3.340 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -4.310 5.090 -1.863 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -2.851 5.606 -2.741 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -3.052 6.029 -1.024 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -6.082 6.740 -1.294 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -4.941 7.788 -0.419 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -5.904 8.448 -1.762 1.00 0.00 H new ATOM 182 N TYR A 15 -3.848 11.572 -1.377 1.00 0.00 N ATOM 183 CA TYR A 15 -3.283 12.712 -0.676 1.00 0.00 C ATOM 184 C TYR A 15 -2.524 12.264 0.575 1.00 0.00 C ATOM 185 O TYR A 15 -2.650 11.119 1.005 1.00 0.00 O ATOM 186 CB TYR A 15 -4.471 13.579 -0.254 1.00 0.00 C ATOM 187 CG TYR A 15 -5.155 14.304 -1.415 1.00 0.00 C ATOM 188 CD1 TYR A 15 -5.877 13.587 -2.347 1.00 0.00 C ATOM 189 CD2 TYR A 15 -5.050 15.676 -1.530 1.00 0.00 C ATOM 190 CE1 TYR A 15 -6.521 14.269 -3.439 1.00 0.00 C ATOM 191 CE2 TYR A 15 -5.694 16.358 -2.622 1.00 0.00 C ATOM 192 CZ TYR A 15 -6.398 15.621 -3.523 1.00 0.00 C ATOM 193 OH TYR A 15 -7.006 16.266 -4.555 1.00 0.00 O ATOM 0 H TYR A 15 -4.826 11.380 -1.161 1.00 0.00 H new ATOM 0 HA TYR A 15 -2.582 13.247 -1.316 1.00 0.00 H new ATOM 0 HB2 TYR A 15 -5.205 12.951 0.252 1.00 0.00 H new ATOM 0 HB3 TYR A 15 -4.129 14.317 0.471 1.00 0.00 H new ATOM 0 HD1 TYR A 15 -5.959 12.514 -2.257 1.00 0.00 H new ATOM 0 HD2 TYR A 15 -4.485 16.237 -0.801 1.00 0.00 H new ATOM 0 HE1 TYR A 15 -7.089 13.719 -4.175 1.00 0.00 H new ATOM 0 HE2 TYR A 15 -5.620 17.431 -2.724 1.00 0.00 H new ATOM 0 HH TYR A 15 -6.834 17.228 -4.486 1.00 0.00 H new ATOM 203 N LYS A 16 -1.753 13.192 1.124 1.00 0.00 N ATOM 204 CA LYS A 16 -0.974 12.907 2.317 1.00 0.00 C ATOM 205 C LYS A 16 -0.904 14.164 3.187 1.00 0.00 C ATOM 206 O LYS A 16 -0.605 15.249 2.693 1.00 0.00 O ATOM 207 CB LYS A 16 0.397 12.343 1.940 1.00 0.00 C ATOM 208 CG LYS A 16 1.324 12.294 3.157 1.00 0.00 C ATOM 209 CD LYS A 16 2.197 11.038 3.130 1.00 0.00 C ATOM 210 CE LYS A 16 3.681 11.404 3.073 1.00 0.00 C ATOM 211 NZ LYS A 16 4.446 10.356 2.361 1.00 0.00 N ATOM 0 H LYS A 16 -1.651 14.141 0.765 1.00 0.00 H new ATOM 0 HA LYS A 16 -1.458 12.133 2.912 1.00 0.00 H new ATOM 0 HB2 LYS A 16 0.281 11.341 1.526 1.00 0.00 H new ATOM 0 HB3 LYS A 16 0.846 12.959 1.161 1.00 0.00 H new ATOM 0 HG2 LYS A 16 1.957 13.181 3.172 1.00 0.00 H new ATOM 0 HG3 LYS A 16 0.731 12.310 4.071 1.00 0.00 H new ATOM 0 HD2 LYS A 16 2.001 10.435 4.017 1.00 0.00 H new ATOM 0 HD3 LYS A 16 1.936 10.428 2.266 1.00 0.00 H new ATOM 0 HE2 LYS A 16 3.806 12.361 2.567 1.00 0.00 H new ATOM 0 HE3 LYS A 16 4.071 11.524 4.084 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 5.452 10.620 2.331 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 4.341 9.450 2.860 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 4.084 10.261 1.391 1.00 0.00 H new ATOM 225 N LYS A 17 -1.186 13.974 4.468 1.00 0.00 N ATOM 226 CA LYS A 17 -1.158 15.079 5.412 1.00 0.00 C ATOM 227 C LYS A 17 0.241 15.189 6.021 1.00 0.00 C ATOM 228 O LYS A 17 0.977 14.205 6.076 1.00 0.00 O ATOM 229 CB LYS A 17 -2.271 14.923 6.451 1.00 0.00 C ATOM 230 CG LYS A 17 -2.702 16.285 7.000 1.00 0.00 C ATOM 231 CD LYS A 17 -3.845 16.133 8.006 1.00 0.00 C ATOM 232 CE LYS A 17 -4.312 17.498 8.514 1.00 0.00 C ATOM 233 NZ LYS A 17 -3.638 17.836 9.788 1.00 0.00 N ATOM 0 H LYS A 17 -1.435 13.072 4.874 1.00 0.00 H new ATOM 0 HA LYS A 17 -1.358 16.021 4.902 1.00 0.00 H new ATOM 0 HB2 LYS A 17 -3.127 14.421 6.000 1.00 0.00 H new ATOM 0 HB3 LYS A 17 -1.925 14.290 7.268 1.00 0.00 H new ATOM 0 HG2 LYS A 17 -1.853 16.773 7.479 1.00 0.00 H new ATOM 0 HG3 LYS A 17 -3.018 16.929 6.179 1.00 0.00 H new ATOM 0 HD2 LYS A 17 -4.679 15.610 7.538 1.00 0.00 H new ATOM 0 HD3 LYS A 17 -3.516 15.521 8.846 1.00 0.00 H new ATOM 0 HE2 LYS A 17 -4.097 18.263 7.768 1.00 0.00 H new ATOM 0 HE3 LYS A 17 -5.392 17.489 8.659 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 -3.967 18.766 10.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 -3.864 17.115 10.502 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 -2.609 17.865 9.639 1.00 0.00 H new ATOM 247 N GLY A 18 0.565 16.395 6.464 1.00 0.00 N ATOM 248 CA GLY A 18 1.863 16.647 7.067 1.00 0.00 C ATOM 249 C GLY A 18 2.174 18.144 7.094 1.00 0.00 C ATOM 250 O GLY A 18 2.361 18.724 8.162 1.00 0.00 O ATOM 0 H GLY A 18 -0.049 17.208 6.417 1.00 0.00 H new ATOM 0 HA2 GLY A 18 1.879 16.250 8.082 1.00 0.00 H new ATOM 0 HA3 GLY A 18 2.636 16.121 6.507 1.00 0.00 H new ATOM 254 N ALA A 19 2.218 18.728 5.905 1.00 0.00 N ATOM 255 CA ALA A 19 2.503 20.148 5.779 1.00 0.00 C ATOM 256 C ALA A 19 1.656 20.925 6.788 1.00 0.00 C ATOM 257 O ALA A 19 0.740 20.371 7.393 1.00 0.00 O ATOM 258 CB ALA A 19 2.249 20.593 4.338 1.00 0.00 C ATOM 0 H ALA A 19 2.061 18.244 5.021 1.00 0.00 H new ATOM 0 HA ALA A 19 3.550 20.351 6.003 1.00 0.00 H new ATOM 0 HB1 ALA A 19 2.463 21.658 4.243 1.00 0.00 H new ATOM 0 HB2 ALA A 19 2.896 20.032 3.664 1.00 0.00 H new ATOM 0 HB3 ALA A 19 1.207 20.407 4.078 1.00 0.00 H new ATOM 264 N PHE A 20 1.993 22.198 6.939 1.00 0.00 N ATOM 265 CA PHE A 20 1.274 23.057 7.865 1.00 0.00 C ATOM 266 C PHE A 20 -0.221 23.083 7.541 1.00 0.00 C ATOM 267 O PHE A 20 -0.706 22.261 6.765 1.00 0.00 O ATOM 268 CB PHE A 20 1.845 24.467 7.700 1.00 0.00 C ATOM 269 CG PHE A 20 2.833 24.871 8.796 1.00 0.00 C ATOM 270 CD1 PHE A 20 4.146 24.534 8.684 1.00 0.00 C ATOM 271 CD2 PHE A 20 2.399 25.566 9.881 1.00 0.00 C ATOM 272 CE1 PHE A 20 5.064 24.909 9.701 1.00 0.00 C ATOM 273 CE2 PHE A 20 3.317 25.940 10.898 1.00 0.00 C ATOM 274 CZ PHE A 20 4.630 25.604 10.786 1.00 0.00 C ATOM 0 H PHE A 20 2.754 22.655 6.436 1.00 0.00 H new ATOM 0 HA PHE A 20 1.390 22.687 8.884 1.00 0.00 H new ATOM 0 HB2 PHE A 20 2.343 24.535 6.733 1.00 0.00 H new ATOM 0 HB3 PHE A 20 1.022 25.182 7.686 1.00 0.00 H new ATOM 0 HD1 PHE A 20 4.490 23.982 7.822 1.00 0.00 H new ATOM 0 HD2 PHE A 20 1.356 25.834 9.969 1.00 0.00 H new ATOM 0 HE1 PHE A 20 6.107 24.642 9.612 1.00 0.00 H new ATOM 0 HE2 PHE A 20 2.972 26.491 11.760 1.00 0.00 H new ATOM 0 HZ PHE A 20 5.328 25.889 11.559 1.00 0.00 H new ATOM 284 N MET A 21 -0.909 24.035 8.152 1.00 0.00 N ATOM 285 CA MET A 21 -2.339 24.179 7.939 1.00 0.00 C ATOM 286 C MET A 21 -2.641 24.578 6.493 1.00 0.00 C ATOM 287 O MET A 21 -3.055 25.706 6.230 1.00 0.00 O ATOM 288 CB MET A 21 -2.893 25.244 8.888 1.00 0.00 C ATOM 289 CG MET A 21 -3.617 24.600 10.072 1.00 0.00 C ATOM 290 SD MET A 21 -2.616 24.732 11.545 1.00 0.00 S ATOM 291 CE MET A 21 -3.876 25.146 12.739 1.00 0.00 C ATOM 0 H MET A 21 -0.503 24.715 8.795 1.00 0.00 H new ATOM 0 HA MET A 21 -2.815 23.219 8.139 1.00 0.00 H new ATOM 0 HB2 MET A 21 -2.079 25.871 9.252 1.00 0.00 H new ATOM 0 HB3 MET A 21 -3.580 25.896 8.348 1.00 0.00 H new ATOM 0 HG2 MET A 21 -4.578 25.089 10.231 1.00 0.00 H new ATOM 0 HG3 MET A 21 -3.824 23.552 9.856 1.00 0.00 H new ATOM 0 HE1 MET A 21 -3.420 25.266 13.722 1.00 0.00 H new ATOM 0 HE2 MET A 21 -4.361 26.078 12.448 1.00 0.00 H new ATOM 0 HE3 MET A 21 -4.617 24.348 12.777 1.00 0.00 H new ATOM 301 N LYS A 22 -2.421 23.631 5.593 1.00 0.00 N ATOM 302 CA LYS A 22 -2.663 23.869 4.181 1.00 0.00 C ATOM 303 C LYS A 22 -3.357 22.648 3.574 1.00 0.00 C ATOM 304 O LYS A 22 -3.584 21.653 4.260 1.00 0.00 O ATOM 305 CB LYS A 22 -1.363 24.254 3.471 1.00 0.00 C ATOM 306 CG LYS A 22 -0.313 24.735 4.474 1.00 0.00 C ATOM 307 CD LYS A 22 0.814 25.491 3.768 1.00 0.00 C ATOM 308 CE LYS A 22 1.626 26.320 4.764 1.00 0.00 C ATOM 309 NZ LYS A 22 2.133 27.553 4.121 1.00 0.00 N ATOM 0 H LYS A 22 -2.077 22.697 5.815 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.335 24.717 4.048 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -0.978 23.397 2.919 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -1.561 25.039 2.742 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -0.782 25.383 5.214 1.00 0.00 H new ATOM 0 HG3 LYS A 22 0.099 23.881 5.013 1.00 0.00 H new ATOM 0 HD2 LYS A 22 1.469 24.783 3.260 1.00 0.00 H new ATOM 0 HD3 LYS A 22 0.395 26.144 3.002 1.00 0.00 H new ATOM 0 HE2 LYS A 22 1.005 26.579 5.622 1.00 0.00 H new ATOM 0 HE3 LYS A 22 2.461 25.730 5.142 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 2.682 28.104 4.811 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 2.742 27.300 3.317 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 1.332 28.123 3.782 1.00 0.00 H new ATOM 323 N PRO A 23 -3.683 22.767 2.259 1.00 0.00 N ATOM 324 CA PRO A 23 -4.347 21.685 1.551 1.00 0.00 C ATOM 325 C PRO A 23 -3.368 20.551 1.241 1.00 0.00 C ATOM 326 O PRO A 23 -2.321 20.778 0.637 1.00 0.00 O ATOM 327 CB PRO A 23 -4.925 22.328 0.301 1.00 0.00 C ATOM 328 CG PRO A 23 -4.174 23.637 0.121 1.00 0.00 C ATOM 329 CD PRO A 23 -3.430 23.930 1.414 1.00 0.00 C ATOM 0 HA PRO A 23 -5.134 21.217 2.142 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -4.796 21.681 -0.567 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -5.995 22.504 0.411 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -3.476 23.565 -0.713 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -4.867 24.446 -0.112 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -2.363 24.065 1.235 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -3.793 24.845 1.881 1.00 0.00 H new ATOM 337 N TRP A 24 -3.743 19.355 1.670 1.00 0.00 N ATOM 338 CA TRP A 24 -2.911 18.185 1.446 1.00 0.00 C ATOM 339 C TRP A 24 -2.650 18.071 -0.057 1.00 0.00 C ATOM 340 O TRP A 24 -3.564 18.239 -0.864 1.00 0.00 O ATOM 341 CB TRP A 24 -3.558 16.931 2.038 1.00 0.00 C ATOM 342 CG TRP A 24 -4.250 17.162 3.382 1.00 0.00 C ATOM 343 CD1 TRP A 24 -4.145 18.225 4.192 1.00 0.00 C ATOM 344 CD2 TRP A 24 -5.163 16.263 4.045 1.00 0.00 C ATOM 345 NE1 TRP A 24 -4.921 18.078 5.323 1.00 0.00 N ATOM 346 CE2 TRP A 24 -5.560 16.847 5.231 1.00 0.00 C ATOM 347 CE3 TRP A 24 -5.639 14.999 3.656 1.00 0.00 C ATOM 348 CZ2 TRP A 24 -6.450 16.239 6.125 1.00 0.00 C ATOM 349 CZ3 TRP A 24 -6.527 14.404 4.560 1.00 0.00 C ATOM 350 CH2 TRP A 24 -6.937 14.978 5.758 1.00 0.00 C ATOM 0 H TRP A 24 -4.612 19.171 2.172 1.00 0.00 H new ATOM 0 HA TRP A 24 -1.954 18.288 1.958 1.00 0.00 H new ATOM 0 HB2 TRP A 24 -4.287 16.542 1.328 1.00 0.00 H new ATOM 0 HB3 TRP A 24 -2.793 16.164 2.162 1.00 0.00 H new ATOM 0 HD1 TRP A 24 -3.530 19.088 3.985 1.00 0.00 H new ATOM 0 HE1 TRP A 24 -5.010 18.749 6.086 1.00 0.00 H new ATOM 0 HE3 TRP A 24 -5.343 14.524 2.732 1.00 0.00 H new ATOM 0 HZ2 TRP A 24 -6.745 16.717 7.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 24 -6.921 13.430 4.309 1.00 0.00 H new ATOM 0 HH2 TRP A 24 -7.628 14.454 6.402 1.00 0.00 H new ATOM 361 N LYS A 25 -1.400 17.786 -0.389 1.00 0.00 N ATOM 362 CA LYS A 25 -1.007 17.647 -1.781 1.00 0.00 C ATOM 363 C LYS A 25 -1.358 16.239 -2.267 1.00 0.00 C ATOM 364 O LYS A 25 -0.982 15.250 -1.640 1.00 0.00 O ATOM 365 CB LYS A 25 0.468 18.010 -1.961 1.00 0.00 C ATOM 366 CG LYS A 25 0.728 19.463 -1.558 1.00 0.00 C ATOM 367 CD LYS A 25 2.224 19.781 -1.587 1.00 0.00 C ATOM 368 CE LYS A 25 2.804 19.818 -0.171 1.00 0.00 C ATOM 369 NZ LYS A 25 3.861 18.794 -0.016 1.00 0.00 N ATOM 0 H LYS A 25 -0.645 17.647 0.283 1.00 0.00 H new ATOM 0 HA LYS A 25 -1.561 18.348 -2.405 1.00 0.00 H new ATOM 0 HB2 LYS A 25 1.086 17.345 -1.357 1.00 0.00 H new ATOM 0 HB3 LYS A 25 0.759 17.859 -3.001 1.00 0.00 H new ATOM 0 HG2 LYS A 25 0.197 20.132 -2.235 1.00 0.00 H new ATOM 0 HG3 LYS A 25 0.334 19.643 -0.558 1.00 0.00 H new ATOM 0 HD2 LYS A 25 2.748 19.030 -2.179 1.00 0.00 H new ATOM 0 HD3 LYS A 25 2.386 20.742 -2.075 1.00 0.00 H new ATOM 0 HE2 LYS A 25 3.215 20.807 0.034 1.00 0.00 H new ATOM 0 HE3 LYS A 25 2.012 19.644 0.557 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 4.243 18.833 0.950 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 3.459 17.851 -0.191 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 4.624 18.977 -0.698 1.00 0.00 H new ATOM 383 N ALA A 26 -2.074 16.194 -3.381 1.00 0.00 N ATOM 384 CA ALA A 26 -2.480 14.924 -3.959 1.00 0.00 C ATOM 385 C ALA A 26 -1.308 14.327 -4.741 1.00 0.00 C ATOM 386 O ALA A 26 -0.794 14.950 -5.668 1.00 0.00 O ATOM 387 CB ALA A 26 -3.718 15.133 -4.833 1.00 0.00 C ATOM 0 H ALA A 26 -2.383 17.017 -3.899 1.00 0.00 H new ATOM 0 HA ALA A 26 -2.750 14.215 -3.176 1.00 0.00 H new ATOM 0 HB1 ALA A 26 -4.022 14.180 -5.266 1.00 0.00 H new ATOM 0 HB2 ALA A 26 -4.530 15.531 -4.224 1.00 0.00 H new ATOM 0 HB3 ALA A 26 -3.485 15.837 -5.632 1.00 0.00 H new ATOM 393 N ARG A 27 -0.920 13.126 -4.337 1.00 0.00 N ATOM 394 CA ARG A 27 0.182 12.438 -4.989 1.00 0.00 C ATOM 395 C ARG A 27 -0.302 11.122 -5.601 1.00 0.00 C ATOM 396 O ARG A 27 -1.322 10.576 -5.182 1.00 0.00 O ATOM 397 CB ARG A 27 1.312 12.147 -3.999 1.00 0.00 C ATOM 398 CG ARG A 27 2.424 13.191 -4.114 1.00 0.00 C ATOM 399 CD ARG A 27 3.261 13.243 -2.834 1.00 0.00 C ATOM 400 NE ARG A 27 4.190 14.394 -2.884 1.00 0.00 N ATOM 401 CZ ARG A 27 5.029 14.726 -1.893 1.00 0.00 C ATOM 402 NH1 ARG A 27 5.061 13.996 -0.769 1.00 0.00 N ATOM 403 NH2 ARG A 27 5.836 15.787 -2.025 1.00 0.00 N ATOM 0 H ARG A 27 -1.348 12.612 -3.567 1.00 0.00 H new ATOM 0 HA ARG A 27 0.562 13.090 -5.775 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.918 12.141 -2.983 1.00 0.00 H new ATOM 0 HB3 ARG A 27 1.720 11.154 -4.188 1.00 0.00 H new ATOM 0 HG2 ARG A 27 3.065 12.953 -4.963 1.00 0.00 H new ATOM 0 HG3 ARG A 27 1.989 14.171 -4.308 1.00 0.00 H new ATOM 0 HD2 ARG A 27 2.608 13.330 -1.966 1.00 0.00 H new ATOM 0 HD3 ARG A 27 3.823 12.316 -2.719 1.00 0.00 H new ATOM 0 HE ARG A 27 4.192 14.971 -3.725 1.00 0.00 H new ATOM 0 HH11 ARG A 27 4.447 13.188 -0.668 1.00 0.00 H new ATOM 0 HH12 ARG A 27 5.700 14.249 -0.015 1.00 0.00 H new ATOM 0 HH21 ARG A 27 5.812 16.343 -2.880 1.00 0.00 H new ATOM 0 HH22 ARG A 27 6.474 16.039 -1.270 1.00 0.00 H new ATOM 417 N TRP A 28 0.452 10.650 -6.582 1.00 0.00 N ATOM 418 CA TRP A 28 0.113 9.409 -7.257 1.00 0.00 C ATOM 419 C TRP A 28 0.736 8.256 -6.466 1.00 0.00 C ATOM 420 O TRP A 28 1.958 8.136 -6.396 1.00 0.00 O ATOM 421 CB TRP A 28 0.559 9.440 -8.720 1.00 0.00 C ATOM 422 CG TRP A 28 -0.048 8.329 -9.579 1.00 0.00 C ATOM 423 CD1 TRP A 28 0.531 7.191 -9.987 1.00 0.00 C ATOM 424 CD2 TRP A 28 -1.385 8.296 -10.123 1.00 0.00 C ATOM 425 NE1 TRP A 28 -0.331 6.431 -10.750 1.00 0.00 N ATOM 426 CE2 TRP A 28 -1.533 7.124 -10.836 1.00 0.00 C ATOM 427 CE3 TRP A 28 -2.434 9.226 -10.016 1.00 0.00 C ATOM 428 CZ2 TRP A 28 -2.716 6.773 -11.497 1.00 0.00 C ATOM 429 CZ3 TRP A 28 -3.609 8.861 -10.683 1.00 0.00 C ATOM 430 CH2 TRP A 28 -3.774 7.684 -11.405 1.00 0.00 C ATOM 0 H TRP A 28 1.298 11.105 -6.926 1.00 0.00 H new ATOM 0 HA TRP A 28 -0.968 9.268 -7.286 1.00 0.00 H new ATOM 0 HB2 TRP A 28 0.292 10.405 -9.150 1.00 0.00 H new ATOM 0 HB3 TRP A 28 1.646 9.363 -8.760 1.00 0.00 H new ATOM 0 HD1 TRP A 28 1.545 6.905 -9.748 1.00 0.00 H new ATOM 0 HE1 TRP A 28 -0.124 5.526 -11.173 1.00 0.00 H new ATOM 0 HE3 TRP A 28 -2.340 10.149 -9.463 1.00 0.00 H new ATOM 0 HZ2 TRP A 28 -2.807 5.849 -12.048 1.00 0.00 H new ATOM 0 HZ3 TRP A 28 -4.446 9.541 -10.634 1.00 0.00 H new ATOM 0 HH2 TRP A 28 -4.715 7.474 -11.893 1.00 0.00 H new ATOM 441 N PHE A 29 -0.133 7.437 -5.892 1.00 0.00 N ATOM 442 CA PHE A 29 0.317 6.299 -5.109 1.00 0.00 C ATOM 443 C PHE A 29 0.136 4.993 -5.887 1.00 0.00 C ATOM 444 O PHE A 29 -0.548 4.965 -6.909 1.00 0.00 O ATOM 445 CB PHE A 29 -0.549 6.252 -3.849 1.00 0.00 C ATOM 446 CG PHE A 29 -0.080 7.192 -2.736 1.00 0.00 C ATOM 447 CD1 PHE A 29 0.522 8.370 -3.050 1.00 0.00 C ATOM 448 CD2 PHE A 29 -0.265 6.848 -1.433 1.00 0.00 C ATOM 449 CE1 PHE A 29 0.958 9.242 -2.018 1.00 0.00 C ATOM 450 CE2 PHE A 29 0.171 7.721 -0.401 1.00 0.00 C ATOM 451 CZ PHE A 29 0.773 8.899 -0.715 1.00 0.00 C ATOM 0 H PHE A 29 -1.146 7.539 -5.954 1.00 0.00 H new ATOM 0 HA PHE A 29 1.375 6.406 -4.871 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.575 6.505 -4.116 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -0.562 5.231 -3.467 1.00 0.00 H new ATOM 0 HD1 PHE A 29 0.669 8.642 -4.085 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.743 5.912 -1.184 1.00 0.00 H new ATOM 0 HE1 PHE A 29 1.436 10.178 -2.268 1.00 0.00 H new ATOM 0 HE2 PHE A 29 0.024 7.449 0.634 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.104 9.562 0.070 1.00 0.00 H new ATOM 461 N VAL A 30 0.761 3.944 -5.372 1.00 0.00 N ATOM 462 CA VAL A 30 0.677 2.639 -6.006 1.00 0.00 C ATOM 463 C VAL A 30 0.424 1.574 -4.937 1.00 0.00 C ATOM 464 O VAL A 30 1.163 1.484 -3.958 1.00 0.00 O ATOM 465 CB VAL A 30 1.941 2.374 -6.827 1.00 0.00 C ATOM 466 CG1 VAL A 30 2.030 0.902 -7.236 1.00 0.00 C ATOM 467 CG2 VAL A 30 2.000 3.288 -8.052 1.00 0.00 C ATOM 0 H VAL A 30 1.327 3.971 -4.524 1.00 0.00 H new ATOM 0 HA VAL A 30 -0.160 2.606 -6.703 1.00 0.00 H new ATOM 0 HB VAL A 30 2.803 2.600 -6.199 1.00 0.00 H new ATOM 0 HG11 VAL A 30 2.937 0.740 -7.818 1.00 0.00 H new ATOM 0 HG12 VAL A 30 2.056 0.277 -6.343 1.00 0.00 H new ATOM 0 HG13 VAL A 30 1.161 0.638 -7.838 1.00 0.00 H new ATOM 0 HG21 VAL A 30 2.908 3.079 -8.618 1.00 0.00 H new ATOM 0 HG22 VAL A 30 1.129 3.108 -8.683 1.00 0.00 H new ATOM 0 HG23 VAL A 30 2.005 4.329 -7.729 1.00 0.00 H new ATOM 477 N LEU A 31 -0.623 0.793 -5.161 1.00 0.00 N ATOM 478 CA LEU A 31 -0.983 -0.262 -4.230 1.00 0.00 C ATOM 479 C LEU A 31 -0.473 -1.603 -4.763 1.00 0.00 C ATOM 480 O LEU A 31 -1.211 -2.333 -5.423 1.00 0.00 O ATOM 481 CB LEU A 31 -2.487 -0.242 -3.953 1.00 0.00 C ATOM 482 CG LEU A 31 -2.909 -0.547 -2.514 1.00 0.00 C ATOM 483 CD1 LEU A 31 -3.216 -2.035 -2.335 1.00 0.00 C ATOM 484 CD2 LEU A 31 -1.855 -0.056 -1.519 1.00 0.00 C ATOM 0 H LEU A 31 -1.234 0.870 -5.974 1.00 0.00 H new ATOM 0 HA LEU A 31 -0.503 -0.099 -3.265 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -2.873 0.741 -4.223 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -2.967 -0.965 -4.612 1.00 0.00 H new ATOM 0 HG LEU A 31 -3.829 -0.002 -2.305 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -3.513 -2.224 -1.303 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -4.027 -2.322 -3.005 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -2.327 -2.621 -2.569 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -2.179 -0.285 -0.504 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -0.906 -0.554 -1.718 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -1.728 1.021 -1.625 1.00 0.00 H new ATOM 496 N ASP A 32 0.784 -1.886 -4.457 1.00 0.00 N ATOM 497 CA ASP A 32 1.401 -3.125 -4.897 1.00 0.00 C ATOM 498 C ASP A 32 0.715 -4.305 -4.205 1.00 0.00 C ATOM 499 O ASP A 32 0.063 -4.132 -3.176 1.00 0.00 O ATOM 500 CB ASP A 32 2.886 -3.162 -4.532 1.00 0.00 C ATOM 501 CG ASP A 32 3.482 -4.563 -4.383 1.00 0.00 C ATOM 502 OD1 ASP A 32 3.392 -5.326 -5.370 1.00 0.00 O ATOM 503 OD2 ASP A 32 4.012 -4.841 -3.286 1.00 0.00 O ATOM 0 H ASP A 32 1.393 -1.278 -3.909 1.00 0.00 H new ATOM 0 HA ASP A 32 1.295 -3.188 -5.980 1.00 0.00 H new ATOM 0 HB2 ASP A 32 3.446 -2.625 -5.298 1.00 0.00 H new ATOM 0 HB3 ASP A 32 3.028 -2.622 -3.596 1.00 0.00 H new ATOM 508 N LYS A 33 0.886 -5.478 -4.797 1.00 0.00 N ATOM 509 CA LYS A 33 0.292 -6.686 -4.250 1.00 0.00 C ATOM 510 C LYS A 33 1.348 -7.792 -4.201 1.00 0.00 C ATOM 511 O LYS A 33 1.439 -8.525 -3.218 1.00 0.00 O ATOM 512 CB LYS A 33 -0.964 -7.069 -5.036 1.00 0.00 C ATOM 513 CG LYS A 33 -0.738 -6.911 -6.541 1.00 0.00 C ATOM 514 CD LYS A 33 -1.188 -8.162 -7.297 1.00 0.00 C ATOM 515 CE LYS A 33 -2.660 -8.058 -7.702 1.00 0.00 C ATOM 516 NZ LYS A 33 -2.781 -7.561 -9.091 1.00 0.00 N ATOM 0 H LYS A 33 1.427 -5.618 -5.650 1.00 0.00 H new ATOM 0 HA LYS A 33 -0.040 -6.517 -3.226 1.00 0.00 H new ATOM 0 HB2 LYS A 33 -1.237 -8.100 -4.812 1.00 0.00 H new ATOM 0 HB3 LYS A 33 -1.799 -6.443 -4.722 1.00 0.00 H new ATOM 0 HG2 LYS A 33 -1.288 -6.044 -6.906 1.00 0.00 H new ATOM 0 HG3 LYS A 33 0.318 -6.724 -6.736 1.00 0.00 H new ATOM 0 HD2 LYS A 33 -0.571 -8.296 -8.186 1.00 0.00 H new ATOM 0 HD3 LYS A 33 -1.041 -9.042 -6.671 1.00 0.00 H new ATOM 0 HE2 LYS A 33 -3.137 -9.034 -7.616 1.00 0.00 H new ATOM 0 HE3 LYS A 33 -3.184 -7.386 -7.022 1.00 0.00 H new ATOM 0 HZ1 LYS A 33 -3.785 -7.416 -9.321 1.00 0.00 H new ATOM 0 HZ2 LYS A 33 -2.271 -6.660 -9.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 33 -2.373 -8.258 -9.746 1.00 0.00 H new ATOM 530 N THR A 34 2.119 -7.877 -5.275 1.00 0.00 N ATOM 531 CA THR A 34 3.165 -8.881 -5.367 1.00 0.00 C ATOM 532 C THR A 34 4.039 -8.859 -4.111 1.00 0.00 C ATOM 533 O THR A 34 4.459 -9.907 -3.624 1.00 0.00 O ATOM 534 CB THR A 34 3.949 -8.630 -6.657 1.00 0.00 C ATOM 535 OG1 THR A 34 4.584 -7.373 -6.439 1.00 0.00 O ATOM 536 CG2 THR A 34 3.035 -8.383 -7.859 1.00 0.00 C ATOM 0 H THR A 34 2.040 -7.267 -6.089 1.00 0.00 H new ATOM 0 HA THR A 34 2.745 -9.886 -5.414 1.00 0.00 H new ATOM 0 HB THR A 34 4.594 -9.484 -6.861 1.00 0.00 H new ATOM 0 HG1 THR A 34 3.903 -6.679 -6.320 1.00 0.00 H new ATOM 0 HG21 THR A 34 3.642 -8.211 -8.748 1.00 0.00 H new ATOM 0 HG22 THR A 34 2.399 -9.254 -8.017 1.00 0.00 H new ATOM 0 HG23 THR A 34 2.413 -7.509 -7.669 1.00 0.00 H new ATOM 544 N LYS A 35 4.286 -7.652 -3.623 1.00 0.00 N ATOM 545 CA LYS A 35 5.101 -7.479 -2.433 1.00 0.00 C ATOM 546 C LYS A 35 4.313 -6.683 -1.391 1.00 0.00 C ATOM 547 O LYS A 35 4.868 -6.260 -0.378 1.00 0.00 O ATOM 548 CB LYS A 35 6.450 -6.853 -2.794 1.00 0.00 C ATOM 549 CG LYS A 35 7.378 -7.884 -3.438 1.00 0.00 C ATOM 550 CD LYS A 35 8.704 -7.977 -2.680 1.00 0.00 C ATOM 551 CE LYS A 35 9.834 -8.431 -3.605 1.00 0.00 C ATOM 552 NZ LYS A 35 11.040 -8.777 -2.820 1.00 0.00 N ATOM 0 H LYS A 35 3.936 -6.785 -4.030 1.00 0.00 H new ATOM 0 HA LYS A 35 5.333 -8.446 -1.987 1.00 0.00 H new ATOM 0 HB2 LYS A 35 6.296 -6.019 -3.479 1.00 0.00 H new ATOM 0 HB3 LYS A 35 6.918 -6.447 -1.897 1.00 0.00 H new ATOM 0 HG2 LYS A 35 6.892 -8.860 -3.449 1.00 0.00 H new ATOM 0 HG3 LYS A 35 7.567 -7.610 -4.476 1.00 0.00 H new ATOM 0 HD2 LYS A 35 8.950 -7.006 -2.250 1.00 0.00 H new ATOM 0 HD3 LYS A 35 8.605 -8.677 -1.851 1.00 0.00 H new ATOM 0 HE2 LYS A 35 9.511 -9.295 -4.186 1.00 0.00 H new ATOM 0 HE3 LYS A 35 10.070 -7.639 -4.316 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 11.797 -9.083 -3.464 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 11.357 -7.944 -2.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 10.815 -9.548 -2.159 1.00 0.00 H new ATOM 566 N HIS A 36 3.031 -6.504 -1.675 1.00 0.00 N ATOM 567 CA HIS A 36 2.161 -5.767 -0.775 1.00 0.00 C ATOM 568 C HIS A 36 2.919 -4.572 -0.193 1.00 0.00 C ATOM 569 O HIS A 36 3.403 -4.630 0.936 1.00 0.00 O ATOM 570 CB HIS A 36 1.589 -6.688 0.304 1.00 0.00 C ATOM 571 CG HIS A 36 2.585 -7.680 0.856 1.00 0.00 C ATOM 572 ND1 HIS A 36 3.742 -7.487 1.552 1.00 0.00 N flip ATOM 573 CD2 HIS A 36 2.438 -9.048 0.713 1.00 0.00 C flip ATOM 574 CE1 HIS A 36 4.273 -8.673 1.821 1.00 0.00 C flip ATOM 575 NE2 HIS A 36 3.466 -9.643 1.301 1.00 0.00 N flip ATOM 0 H HIS A 36 2.574 -6.857 -2.516 1.00 0.00 H new ATOM 0 HA HIS A 36 1.306 -5.377 -1.328 1.00 0.00 H new ATOM 0 HB2 HIS A 36 1.207 -6.078 1.123 1.00 0.00 H new ATOM 0 HB3 HIS A 36 0.741 -7.233 -0.110 1.00 0.00 H new ATOM 0 HD1 HIS A 36 4.133 -6.584 1.820 1.00 0.00 H new ATOM 0 HD2 HIS A 36 1.624 -9.547 0.208 1.00 0.00 H new ATOM 0 HE1 HIS A 36 5.192 -8.843 2.362 1.00 0.00 H new ATOM 583 N GLN A 37 2.998 -3.516 -0.990 1.00 0.00 N ATOM 584 CA GLN A 37 3.689 -2.310 -0.568 1.00 0.00 C ATOM 585 C GLN A 37 2.972 -1.071 -1.110 1.00 0.00 C ATOM 586 O GLN A 37 2.094 -1.181 -1.964 1.00 0.00 O ATOM 587 CB GLN A 37 5.153 -2.333 -1.011 1.00 0.00 C ATOM 588 CG GLN A 37 5.983 -3.250 -0.111 1.00 0.00 C ATOM 589 CD GLN A 37 7.330 -3.580 -0.757 1.00 0.00 C ATOM 590 OE1 GLN A 37 7.409 -4.090 -1.863 1.00 0.00 O ATOM 591 NE2 GLN A 37 8.382 -3.262 -0.008 1.00 0.00 N ATOM 0 H GLN A 37 2.595 -3.471 -1.926 1.00 0.00 H new ATOM 0 HA GLN A 37 3.674 -2.268 0.521 1.00 0.00 H new ATOM 0 HB2 GLN A 37 5.219 -2.675 -2.044 1.00 0.00 H new ATOM 0 HB3 GLN A 37 5.561 -1.323 -0.983 1.00 0.00 H new ATOM 0 HG2 GLN A 37 6.146 -2.768 0.853 1.00 0.00 H new ATOM 0 HG3 GLN A 37 5.433 -4.171 0.082 1.00 0.00 H new ATOM 0 HE21 GLN A 37 8.245 -2.837 0.909 1.00 0.00 H new ATOM 0 HE22 GLN A 37 9.325 -3.443 -0.351 1.00 0.00 H new ATOM 600 N LEU A 38 3.373 0.080 -0.590 1.00 0.00 N ATOM 601 CA LEU A 38 2.780 1.338 -1.011 1.00 0.00 C ATOM 602 C LEU A 38 3.859 2.218 -1.645 1.00 0.00 C ATOM 603 O LEU A 38 4.658 2.832 -0.940 1.00 0.00 O ATOM 604 CB LEU A 38 2.052 2.004 0.158 1.00 0.00 C ATOM 605 CG LEU A 38 0.752 2.733 -0.189 1.00 0.00 C ATOM 606 CD1 LEU A 38 -0.300 2.528 0.904 1.00 0.00 C ATOM 607 CD2 LEU A 38 1.011 4.215 -0.464 1.00 0.00 C ATOM 0 H LEU A 38 4.101 0.168 0.119 1.00 0.00 H new ATOM 0 HA LEU A 38 2.020 1.165 -1.773 1.00 0.00 H new ATOM 0 HB2 LEU A 38 1.829 1.241 0.904 1.00 0.00 H new ATOM 0 HB3 LEU A 38 2.732 2.717 0.625 1.00 0.00 H new ATOM 0 HG LEU A 38 0.352 2.301 -1.106 1.00 0.00 H new ATOM 0 HD11 LEU A 38 -1.214 3.056 0.633 1.00 0.00 H new ATOM 0 HD12 LEU A 38 -0.513 1.464 1.009 1.00 0.00 H new ATOM 0 HD13 LEU A 38 0.077 2.917 1.850 1.00 0.00 H new ATOM 0 HD21 LEU A 38 0.071 4.710 -0.708 1.00 0.00 H new ATOM 0 HD22 LEU A 38 1.446 4.679 0.421 1.00 0.00 H new ATOM 0 HD23 LEU A 38 1.701 4.314 -1.302 1.00 0.00 H new ATOM 619 N ARG A 39 3.846 2.252 -2.970 1.00 0.00 N ATOM 620 CA ARG A 39 4.813 3.047 -3.707 1.00 0.00 C ATOM 621 C ARG A 39 4.177 4.358 -4.174 1.00 0.00 C ATOM 622 O ARG A 39 3.198 4.346 -4.919 1.00 0.00 O ATOM 623 CB ARG A 39 5.341 2.283 -4.923 1.00 0.00 C ATOM 624 CG ARG A 39 6.309 1.177 -4.498 1.00 0.00 C ATOM 625 CD ARG A 39 6.273 0.008 -5.484 1.00 0.00 C ATOM 626 NE ARG A 39 7.572 -0.701 -5.476 1.00 0.00 N ATOM 627 CZ ARG A 39 8.718 -0.175 -5.930 1.00 0.00 C ATOM 628 NH1 ARG A 39 8.732 1.067 -6.431 1.00 0.00 N ATOM 629 NH2 ARG A 39 9.849 -0.892 -5.883 1.00 0.00 N ATOM 0 H ARG A 39 3.181 1.742 -3.552 1.00 0.00 H new ATOM 0 HA ARG A 39 5.645 3.262 -3.037 1.00 0.00 H new ATOM 0 HB2 ARG A 39 4.507 1.849 -5.474 1.00 0.00 H new ATOM 0 HB3 ARG A 39 5.846 2.973 -5.599 1.00 0.00 H new ATOM 0 HG2 ARG A 39 7.321 1.577 -4.440 1.00 0.00 H new ATOM 0 HG3 ARG A 39 6.048 0.824 -3.500 1.00 0.00 H new ATOM 0 HD2 ARG A 39 5.472 -0.681 -5.215 1.00 0.00 H new ATOM 0 HD3 ARG A 39 6.055 0.374 -6.487 1.00 0.00 H new ATOM 0 HE ARG A 39 7.597 -1.649 -5.101 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.871 1.612 -6.467 1.00 0.00 H new ATOM 0 HH12 ARG A 39 9.604 1.468 -6.777 1.00 0.00 H new ATOM 0 HH21 ARG A 39 9.838 -1.838 -5.502 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.721 -0.492 -6.229 1.00 0.00 H new ATOM 643 N TYR A 40 4.759 5.457 -3.718 1.00 0.00 N ATOM 644 CA TYR A 40 4.262 6.773 -4.079 1.00 0.00 C ATOM 645 C TYR A 40 5.390 7.659 -4.611 1.00 0.00 C ATOM 646 O TYR A 40 6.556 7.453 -4.276 1.00 0.00 O ATOM 647 CB TYR A 40 3.713 7.385 -2.789 1.00 0.00 C ATOM 648 CG TYR A 40 4.795 7.841 -1.808 1.00 0.00 C ATOM 649 CD1 TYR A 40 5.376 6.930 -0.949 1.00 0.00 C ATOM 650 CD2 TYR A 40 5.190 9.163 -1.780 1.00 0.00 C ATOM 651 CE1 TYR A 40 6.394 7.359 -0.026 1.00 0.00 C ATOM 652 CE2 TYR A 40 6.208 9.592 -0.857 1.00 0.00 C ATOM 653 CZ TYR A 40 6.760 8.669 -0.025 1.00 0.00 C ATOM 654 OH TYR A 40 7.721 9.073 0.847 1.00 0.00 O ATOM 0 H TYR A 40 5.571 5.463 -3.101 1.00 0.00 H new ATOM 0 HA TYR A 40 3.506 6.696 -4.860 1.00 0.00 H new ATOM 0 HB2 TYR A 40 3.084 8.238 -3.043 1.00 0.00 H new ATOM 0 HB3 TYR A 40 3.074 6.653 -2.295 1.00 0.00 H new ATOM 0 HD1 TYR A 40 5.067 5.895 -0.969 1.00 0.00 H new ATOM 0 HD2 TYR A 40 4.735 9.876 -2.451 1.00 0.00 H new ATOM 0 HE1 TYR A 40 6.857 6.656 0.651 1.00 0.00 H new ATOM 0 HE2 TYR A 40 6.526 10.624 -0.826 1.00 0.00 H new ATOM 0 HH TYR A 40 8.530 8.537 0.713 1.00 0.00 H new ATOM 664 N TYR A 41 5.004 8.626 -5.430 1.00 0.00 N ATOM 665 CA TYR A 41 5.969 9.544 -6.011 1.00 0.00 C ATOM 666 C TYR A 41 5.400 10.962 -6.088 1.00 0.00 C ATOM 667 O TYR A 41 4.205 11.167 -5.881 1.00 0.00 O ATOM 668 CB TYR A 41 6.233 9.036 -7.430 1.00 0.00 C ATOM 669 CG TYR A 41 6.177 7.513 -7.566 1.00 0.00 C ATOM 670 CD1 TYR A 41 4.972 6.852 -7.433 1.00 0.00 C ATOM 671 CD2 TYR A 41 7.330 6.800 -7.822 1.00 0.00 C ATOM 672 CE1 TYR A 41 4.919 5.419 -7.561 1.00 0.00 C ATOM 673 CE2 TYR A 41 7.277 5.366 -7.950 1.00 0.00 C ATOM 674 CZ TYR A 41 6.074 4.747 -7.814 1.00 0.00 C ATOM 675 OH TYR A 41 6.024 3.393 -7.935 1.00 0.00 O ATOM 0 H TYR A 41 4.036 8.794 -5.705 1.00 0.00 H new ATOM 0 HA TYR A 41 6.874 9.583 -5.405 1.00 0.00 H new ATOM 0 HB2 TYR A 41 5.500 9.478 -8.105 1.00 0.00 H new ATOM 0 HB3 TYR A 41 7.214 9.384 -7.753 1.00 0.00 H new ATOM 0 HD1 TYR A 41 4.069 7.410 -7.233 1.00 0.00 H new ATOM 0 HD2 TYR A 41 8.272 7.317 -7.926 1.00 0.00 H new ATOM 0 HE1 TYR A 41 3.983 4.890 -7.458 1.00 0.00 H new ATOM 0 HE2 TYR A 41 8.172 4.796 -8.149 1.00 0.00 H new ATOM 0 HH TYR A 41 6.923 3.047 -8.116 1.00 0.00 H new ATOM 685 N ASP A 42 6.282 11.904 -6.386 1.00 0.00 N ATOM 686 CA ASP A 42 5.882 13.297 -6.493 1.00 0.00 C ATOM 687 C ASP A 42 5.149 13.513 -7.818 1.00 0.00 C ATOM 688 O ASP A 42 4.455 14.513 -7.993 1.00 0.00 O ATOM 689 CB ASP A 42 7.099 14.223 -6.470 1.00 0.00 C ATOM 690 CG ASP A 42 7.803 14.333 -5.116 1.00 0.00 C ATOM 691 OD1 ASP A 42 7.089 14.609 -4.127 1.00 0.00 O ATOM 692 OD2 ASP A 42 9.037 14.139 -5.100 1.00 0.00 O ATOM 0 H ASP A 42 7.272 11.730 -6.557 1.00 0.00 H new ATOM 0 HA ASP A 42 5.237 13.528 -5.645 1.00 0.00 H new ATOM 0 HB2 ASP A 42 7.819 13.871 -7.209 1.00 0.00 H new ATOM 0 HB3 ASP A 42 6.784 15.219 -6.781 1.00 0.00 H new ATOM 697 N HIS A 43 5.327 12.557 -8.719 1.00 0.00 N ATOM 698 CA HIS A 43 4.692 12.630 -10.023 1.00 0.00 C ATOM 699 C HIS A 43 4.572 11.224 -10.615 1.00 0.00 C ATOM 700 O HIS A 43 5.350 10.335 -10.274 1.00 0.00 O ATOM 701 CB HIS A 43 5.443 13.597 -10.941 1.00 0.00 C ATOM 702 CG HIS A 43 4.772 14.941 -11.098 1.00 0.00 C ATOM 703 ND1 HIS A 43 4.771 16.037 -10.285 1.00 0.00 N flip ATOM 704 CD2 HIS A 43 3.994 15.267 -12.195 1.00 0.00 C flip ATOM 705 CE1 HIS A 43 4.033 16.981 -10.856 1.00 0.00 C flip ATOM 706 NE2 HIS A 43 3.550 16.505 -12.039 1.00 0.00 N flip ATOM 0 H HIS A 43 5.902 11.728 -8.571 1.00 0.00 H new ATOM 0 HA HIS A 43 3.684 13.030 -9.918 1.00 0.00 H new ATOM 0 HB2 HIS A 43 6.448 13.748 -10.548 1.00 0.00 H new ATOM 0 HB3 HIS A 43 5.551 13.139 -11.924 1.00 0.00 H new ATOM 0 HD1 HIS A 43 5.255 16.117 -9.391 1.00 0.00 H new ATOM 0 HD2 HIS A 43 3.785 14.622 -13.035 1.00 0.00 H new ATOM 0 HE1 HIS A 43 3.846 17.964 -10.450 1.00 0.00 H new ATOM 714 N ARG A 44 3.590 11.067 -11.491 1.00 0.00 N ATOM 715 CA ARG A 44 3.358 9.785 -12.134 1.00 0.00 C ATOM 716 C ARG A 44 4.640 9.288 -12.805 1.00 0.00 C ATOM 717 O ARG A 44 5.015 8.127 -12.653 1.00 0.00 O ATOM 718 CB ARG A 44 2.248 9.886 -13.181 1.00 0.00 C ATOM 719 CG ARG A 44 0.870 9.923 -12.518 1.00 0.00 C ATOM 720 CD ARG A 44 -0.217 9.452 -13.486 1.00 0.00 C ATOM 721 NE ARG A 44 -0.543 10.531 -14.445 1.00 0.00 N ATOM 722 CZ ARG A 44 -1.512 10.450 -15.367 1.00 0.00 C ATOM 723 NH1 ARG A 44 -2.256 9.340 -15.460 1.00 0.00 N ATOM 724 NH2 ARG A 44 -1.737 11.478 -16.196 1.00 0.00 N ATOM 0 H ARG A 44 2.946 11.807 -11.770 1.00 0.00 H new ATOM 0 HA ARG A 44 3.050 9.079 -11.363 1.00 0.00 H new ATOM 0 HB2 ARG A 44 2.391 10.784 -13.782 1.00 0.00 H new ATOM 0 HB3 ARG A 44 2.306 9.036 -13.860 1.00 0.00 H new ATOM 0 HG2 ARG A 44 0.872 9.289 -11.631 1.00 0.00 H new ATOM 0 HG3 ARG A 44 0.650 10.937 -12.184 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.122 8.567 -14.024 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -1.110 9.165 -12.931 1.00 0.00 H new ATOM 0 HE ARG A 44 0.004 11.391 -14.401 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -2.085 8.557 -14.829 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -2.994 9.278 -16.162 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -1.170 12.323 -16.126 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -2.475 11.415 -16.898 1.00 0.00 H new ATOM 738 N MET A 45 5.277 10.192 -13.535 1.00 0.00 N ATOM 739 CA MET A 45 6.509 9.861 -14.230 1.00 0.00 C ATOM 740 C MET A 45 7.731 10.254 -13.399 1.00 0.00 C ATOM 741 O MET A 45 8.671 10.855 -13.917 1.00 0.00 O ATOM 742 CB MET A 45 6.549 10.590 -15.574 1.00 0.00 C ATOM 743 CG MET A 45 6.222 12.075 -15.402 1.00 0.00 C ATOM 744 SD MET A 45 6.973 13.022 -16.715 1.00 0.00 S ATOM 745 CE MET A 45 7.574 14.421 -15.783 1.00 0.00 C ATOM 0 H MET A 45 4.962 11.154 -13.660 1.00 0.00 H new ATOM 0 HA MET A 45 6.535 8.783 -14.390 1.00 0.00 H new ATOM 0 HB2 MET A 45 7.537 10.481 -16.022 1.00 0.00 H new ATOM 0 HB3 MET A 45 5.836 10.134 -16.261 1.00 0.00 H new ATOM 0 HG2 MET A 45 5.142 12.221 -15.409 1.00 0.00 H new ATOM 0 HG3 MET A 45 6.585 12.426 -14.436 1.00 0.00 H new ATOM 0 HE1 MET A 45 8.075 15.118 -16.455 1.00 0.00 H new ATOM 0 HE2 MET A 45 6.736 14.922 -15.299 1.00 0.00 H new ATOM 0 HE3 MET A 45 8.279 14.078 -15.025 1.00 0.00 H new ATOM 755 N ASP A 46 7.678 9.899 -12.123 1.00 0.00 N ATOM 756 CA ASP A 46 8.770 10.208 -11.215 1.00 0.00 C ATOM 757 C ASP A 46 9.926 9.238 -11.466 1.00 0.00 C ATOM 758 O ASP A 46 9.707 8.092 -11.853 1.00 0.00 O ATOM 759 CB ASP A 46 8.333 10.055 -9.757 1.00 0.00 C ATOM 760 CG ASP A 46 8.276 11.358 -8.958 1.00 0.00 C ATOM 761 OD1 ASP A 46 8.042 12.406 -9.598 1.00 0.00 O ATOM 762 OD2 ASP A 46 8.468 11.277 -7.726 1.00 0.00 O ATOM 0 H ASP A 46 6.897 9.401 -11.697 1.00 0.00 H new ATOM 0 HA ASP A 46 9.076 11.239 -11.394 1.00 0.00 H new ATOM 0 HB2 ASP A 46 7.347 9.590 -9.736 1.00 0.00 H new ATOM 0 HB3 ASP A 46 9.019 9.370 -9.258 1.00 0.00 H new ATOM 767 N THR A 47 11.133 9.735 -11.236 1.00 0.00 N ATOM 768 CA THR A 47 12.324 8.927 -11.433 1.00 0.00 C ATOM 769 C THR A 47 12.173 7.574 -10.735 1.00 0.00 C ATOM 770 O THR A 47 12.279 6.527 -11.372 1.00 0.00 O ATOM 771 CB THR A 47 13.529 9.733 -10.941 1.00 0.00 C ATOM 772 OG1 THR A 47 14.594 8.787 -10.920 1.00 0.00 O ATOM 773 CG2 THR A 47 13.386 10.167 -9.481 1.00 0.00 C ATOM 0 H THR A 47 11.311 10.687 -10.915 1.00 0.00 H new ATOM 0 HA THR A 47 12.476 8.698 -12.488 1.00 0.00 H new ATOM 0 HB THR A 47 13.658 10.614 -11.570 1.00 0.00 H new ATOM 0 HG1 THR A 47 15.415 9.226 -10.614 1.00 0.00 H new ATOM 0 HG21 THR A 47 14.267 10.735 -9.182 1.00 0.00 H new ATOM 0 HG22 THR A 47 12.498 10.790 -9.372 1.00 0.00 H new ATOM 0 HG23 THR A 47 13.291 9.285 -8.847 1.00 0.00 H new ATOM 781 N GLU A 48 11.927 7.640 -9.435 1.00 0.00 N ATOM 782 CA GLU A 48 11.759 6.433 -8.643 1.00 0.00 C ATOM 783 C GLU A 48 10.894 6.720 -7.414 1.00 0.00 C ATOM 784 O GLU A 48 10.753 7.871 -7.005 1.00 0.00 O ATOM 785 CB GLU A 48 13.115 5.852 -8.236 1.00 0.00 C ATOM 786 CG GLU A 48 13.503 4.681 -9.141 1.00 0.00 C ATOM 787 CD GLU A 48 13.917 3.462 -8.313 1.00 0.00 C ATOM 788 OE1 GLU A 48 13.043 2.951 -7.579 1.00 0.00 O ATOM 789 OE2 GLU A 48 15.097 3.069 -8.433 1.00 0.00 O ATOM 0 H GLU A 48 11.840 8.510 -8.910 1.00 0.00 H new ATOM 0 HA GLU A 48 11.250 5.688 -9.255 1.00 0.00 H new ATOM 0 HB2 GLU A 48 13.879 6.628 -8.292 1.00 0.00 H new ATOM 0 HB3 GLU A 48 13.075 5.518 -7.199 1.00 0.00 H new ATOM 0 HG2 GLU A 48 12.663 4.420 -9.784 1.00 0.00 H new ATOM 0 HG3 GLU A 48 14.324 4.978 -9.794 1.00 0.00 H new ATOM 796 N CYS A 49 10.337 5.653 -6.860 1.00 0.00 N ATOM 797 CA CYS A 49 9.489 5.776 -5.686 1.00 0.00 C ATOM 798 C CYS A 49 10.341 6.311 -4.533 1.00 0.00 C ATOM 799 O CYS A 49 11.567 6.215 -4.566 1.00 0.00 O ATOM 800 CB CYS A 49 8.818 4.448 -5.332 1.00 0.00 C ATOM 801 SG CYS A 49 10.088 3.188 -4.943 1.00 0.00 S ATOM 0 H CYS A 49 10.456 4.700 -7.202 1.00 0.00 H new ATOM 0 HA CYS A 49 8.677 6.474 -5.891 1.00 0.00 H new ATOM 0 HB2 CYS A 49 8.154 4.583 -4.478 1.00 0.00 H new ATOM 0 HB3 CYS A 49 8.201 4.110 -6.165 1.00 0.00 H new ATOM 0 HG CYS A 49 9.549 2.228 -4.251 1.00 0.00 H new ATOM 807 N LYS A 50 9.657 6.861 -3.541 1.00 0.00 N ATOM 808 CA LYS A 50 10.335 7.411 -2.379 1.00 0.00 C ATOM 809 C LYS A 50 9.860 6.679 -1.122 1.00 0.00 C ATOM 810 O LYS A 50 8.874 7.076 -0.504 1.00 0.00 O ATOM 811 CB LYS A 50 10.145 8.928 -2.316 1.00 0.00 C ATOM 812 CG LYS A 50 11.038 9.635 -3.338 1.00 0.00 C ATOM 813 CD LYS A 50 12.500 9.626 -2.888 1.00 0.00 C ATOM 814 CE LYS A 50 12.835 10.886 -2.087 1.00 0.00 C ATOM 815 NZ LYS A 50 14.180 11.388 -2.449 1.00 0.00 N ATOM 0 H LYS A 50 8.640 6.938 -3.518 1.00 0.00 H new ATOM 0 HA LYS A 50 11.410 7.250 -2.454 1.00 0.00 H new ATOM 0 HB2 LYS A 50 9.101 9.176 -2.507 1.00 0.00 H new ATOM 0 HB3 LYS A 50 10.379 9.286 -1.314 1.00 0.00 H new ATOM 0 HG2 LYS A 50 10.949 9.143 -4.306 1.00 0.00 H new ATOM 0 HG3 LYS A 50 10.701 10.663 -3.471 1.00 0.00 H new ATOM 0 HD2 LYS A 50 12.691 8.742 -2.279 1.00 0.00 H new ATOM 0 HD3 LYS A 50 13.152 9.560 -3.759 1.00 0.00 H new ATOM 0 HE2 LYS A 50 12.089 11.656 -2.281 1.00 0.00 H new ATOM 0 HE3 LYS A 50 12.797 10.667 -1.020 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 14.392 12.243 -1.896 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 14.891 10.657 -2.242 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 14.204 11.616 -3.463 1.00 0.00 H new ATOM 829 N GLY A 51 10.584 5.623 -0.782 1.00 0.00 N ATOM 830 CA GLY A 51 10.249 4.832 0.389 1.00 0.00 C ATOM 831 C GLY A 51 8.889 4.152 0.221 1.00 0.00 C ATOM 832 O GLY A 51 7.875 4.822 0.030 1.00 0.00 O ATOM 0 H GLY A 51 11.402 5.297 -1.297 1.00 0.00 H new ATOM 0 HA2 GLY A 51 11.018 4.078 0.555 1.00 0.00 H new ATOM 0 HA3 GLY A 51 10.233 5.471 1.272 1.00 0.00 H new ATOM 836 N VAL A 52 8.911 2.829 0.298 1.00 0.00 N ATOM 837 CA VAL A 52 7.692 2.051 0.157 1.00 0.00 C ATOM 838 C VAL A 52 7.112 1.763 1.543 1.00 0.00 C ATOM 839 O VAL A 52 7.855 1.615 2.512 1.00 0.00 O ATOM 840 CB VAL A 52 7.973 0.781 -0.649 1.00 0.00 C ATOM 841 CG1 VAL A 52 8.838 1.088 -1.873 1.00 0.00 C ATOM 842 CG2 VAL A 52 8.623 -0.292 0.227 1.00 0.00 C ATOM 0 H VAL A 52 9.754 2.277 0.456 1.00 0.00 H new ATOM 0 HA VAL A 52 6.942 2.614 -0.398 1.00 0.00 H new ATOM 0 HB VAL A 52 7.019 0.391 -1.003 1.00 0.00 H new ATOM 0 HG11 VAL A 52 9.023 0.168 -2.428 1.00 0.00 H new ATOM 0 HG12 VAL A 52 8.321 1.801 -2.515 1.00 0.00 H new ATOM 0 HG13 VAL A 52 9.788 1.514 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 52 8.812 -1.184 -0.370 1.00 0.00 H new ATOM 0 HG22 VAL A 52 9.565 0.085 0.625 1.00 0.00 H new ATOM 0 HG23 VAL A 52 7.955 -0.542 1.051 1.00 0.00 H new ATOM 852 N ILE A 53 5.790 1.692 1.593 1.00 0.00 N ATOM 853 CA ILE A 53 5.102 1.425 2.845 1.00 0.00 C ATOM 854 C ILE A 53 4.684 -0.046 2.888 1.00 0.00 C ATOM 855 O ILE A 53 3.668 -0.424 2.305 1.00 0.00 O ATOM 856 CB ILE A 53 3.939 2.401 3.036 1.00 0.00 C ATOM 857 CG1 ILE A 53 4.294 3.788 2.497 1.00 0.00 C ATOM 858 CG2 ILE A 53 3.499 2.449 4.500 1.00 0.00 C ATOM 859 CD1 ILE A 53 3.064 4.699 2.478 1.00 0.00 C ATOM 0 H ILE A 53 5.177 1.815 0.787 1.00 0.00 H new ATOM 0 HA ILE A 53 5.770 1.592 3.690 1.00 0.00 H new ATOM 0 HB ILE A 53 3.089 2.039 2.457 1.00 0.00 H new ATOM 0 HG12 ILE A 53 5.072 4.234 3.116 1.00 0.00 H new ATOM 0 HG13 ILE A 53 4.700 3.698 1.490 1.00 0.00 H new ATOM 0 HG21 ILE A 53 2.671 3.150 4.608 1.00 0.00 H new ATOM 0 HG22 ILE A 53 3.178 1.457 4.816 1.00 0.00 H new ATOM 0 HG23 ILE A 53 4.334 2.775 5.120 1.00 0.00 H new ATOM 0 HD11 ILE A 53 3.343 5.679 2.091 1.00 0.00 H new ATOM 0 HD12 ILE A 53 2.297 4.261 1.839 1.00 0.00 H new ATOM 0 HD13 ILE A 53 2.675 4.806 3.491 1.00 0.00 H new ATOM 871 N ASP A 54 5.488 -0.837 3.583 1.00 0.00 N ATOM 872 CA ASP A 54 5.214 -2.258 3.709 1.00 0.00 C ATOM 873 C ASP A 54 3.845 -2.453 4.365 1.00 0.00 C ATOM 874 O ASP A 54 3.705 -2.296 5.577 1.00 0.00 O ATOM 875 CB ASP A 54 6.261 -2.945 4.588 1.00 0.00 C ATOM 876 CG ASP A 54 6.840 -2.074 5.705 1.00 0.00 C ATOM 877 OD1 ASP A 54 6.198 -1.046 6.013 1.00 0.00 O ATOM 878 OD2 ASP A 54 7.910 -2.455 6.225 1.00 0.00 O ATOM 0 H ASP A 54 6.330 -0.521 4.065 1.00 0.00 H new ATOM 0 HA ASP A 54 5.237 -2.696 2.711 1.00 0.00 H new ATOM 0 HB2 ASP A 54 5.812 -3.832 5.035 1.00 0.00 H new ATOM 0 HB3 ASP A 54 7.079 -3.287 3.953 1.00 0.00 H new ATOM 883 N LEU A 55 2.870 -2.792 3.534 1.00 0.00 N ATOM 884 CA LEU A 55 1.517 -3.010 4.018 1.00 0.00 C ATOM 885 C LEU A 55 1.538 -4.080 5.112 1.00 0.00 C ATOM 886 O LEU A 55 0.648 -4.122 5.960 1.00 0.00 O ATOM 887 CB LEU A 55 0.579 -3.338 2.855 1.00 0.00 C ATOM 888 CG LEU A 55 0.555 -2.327 1.707 1.00 0.00 C ATOM 889 CD1 LEU A 55 -0.114 -2.922 0.466 1.00 0.00 C ATOM 890 CD2 LEU A 55 -0.106 -1.018 2.143 1.00 0.00 C ATOM 0 H LEU A 55 2.990 -2.921 2.529 1.00 0.00 H new ATOM 0 HA LEU A 55 1.122 -2.100 4.469 1.00 0.00 H new ATOM 0 HB2 LEU A 55 0.860 -4.310 2.451 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -0.433 -3.437 3.247 1.00 0.00 H new ATOM 0 HG LEU A 55 1.585 -2.093 1.436 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -0.118 -2.183 -0.335 1.00 0.00 H new ATOM 0 HD12 LEU A 55 0.438 -3.804 0.143 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -1.140 -3.203 0.705 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -0.110 -0.317 1.308 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -1.131 -1.215 2.457 1.00 0.00 H new ATOM 0 HD23 LEU A 55 0.452 -0.588 2.975 1.00 0.00 H new ATOM 902 N ALA A 56 2.563 -4.917 5.058 1.00 0.00 N ATOM 903 CA ALA A 56 2.711 -5.984 6.033 1.00 0.00 C ATOM 904 C ALA A 56 2.902 -5.374 7.424 1.00 0.00 C ATOM 905 O ALA A 56 2.677 -6.039 8.433 1.00 0.00 O ATOM 906 CB ALA A 56 3.876 -6.889 5.628 1.00 0.00 C ATOM 0 H ALA A 56 3.300 -4.878 4.354 1.00 0.00 H new ATOM 0 HA ALA A 56 1.814 -6.603 6.064 1.00 0.00 H new ATOM 0 HB1 ALA A 56 3.987 -7.689 6.360 1.00 0.00 H new ATOM 0 HB2 ALA A 56 3.678 -7.320 4.646 1.00 0.00 H new ATOM 0 HB3 ALA A 56 4.795 -6.304 5.589 1.00 0.00 H new ATOM 912 N GLU A 57 3.316 -4.115 7.431 1.00 0.00 N ATOM 913 CA GLU A 57 3.540 -3.409 8.681 1.00 0.00 C ATOM 914 C GLU A 57 2.242 -2.756 9.162 1.00 0.00 C ATOM 915 O GLU A 57 2.055 -2.548 10.360 1.00 0.00 O ATOM 916 CB GLU A 57 4.653 -2.370 8.531 1.00 0.00 C ATOM 917 CG GLU A 57 6.022 -3.044 8.427 1.00 0.00 C ATOM 918 CD GLU A 57 6.416 -3.693 9.755 1.00 0.00 C ATOM 919 OE1 GLU A 57 6.842 -2.935 10.653 1.00 0.00 O ATOM 920 OE2 GLU A 57 6.283 -4.933 9.843 1.00 0.00 O ATOM 0 H GLU A 57 3.502 -3.566 6.592 1.00 0.00 H new ATOM 0 HA GLU A 57 3.860 -4.131 9.432 1.00 0.00 H new ATOM 0 HB2 GLU A 57 4.473 -1.765 7.642 1.00 0.00 H new ATOM 0 HB3 GLU A 57 4.641 -1.693 9.385 1.00 0.00 H new ATOM 0 HG2 GLU A 57 6.001 -3.799 7.641 1.00 0.00 H new ATOM 0 HG3 GLU A 57 6.773 -2.308 8.141 1.00 0.00 H new ATOM 927 N VAL A 58 1.379 -2.453 8.203 1.00 0.00 N ATOM 928 CA VAL A 58 0.104 -1.829 8.514 1.00 0.00 C ATOM 929 C VAL A 58 -0.642 -2.686 9.539 1.00 0.00 C ATOM 930 O VAL A 58 -0.806 -3.890 9.344 1.00 0.00 O ATOM 931 CB VAL A 58 -0.694 -1.602 7.229 1.00 0.00 C ATOM 932 CG1 VAL A 58 -2.125 -1.161 7.544 1.00 0.00 C ATOM 933 CG2 VAL A 58 0.004 -0.588 6.321 1.00 0.00 C ATOM 0 H VAL A 58 1.538 -2.628 7.211 1.00 0.00 H new ATOM 0 HA VAL A 58 0.258 -0.848 8.962 1.00 0.00 H new ATOM 0 HB VAL A 58 -0.745 -2.551 6.694 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -2.671 -1.006 6.614 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.622 -1.932 8.133 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.102 -0.230 8.111 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -0.585 -0.445 5.415 1.00 0.00 H new ATOM 0 HG22 VAL A 58 0.100 0.363 6.844 1.00 0.00 H new ATOM 0 HG23 VAL A 58 0.994 -0.958 6.056 1.00 0.00 H new ATOM 943 N GLU A 59 -1.075 -2.033 10.607 1.00 0.00 N ATOM 944 CA GLU A 59 -1.800 -2.720 11.662 1.00 0.00 C ATOM 945 C GLU A 59 -3.290 -2.793 11.321 1.00 0.00 C ATOM 946 O GLU A 59 -3.963 -3.761 11.669 1.00 0.00 O ATOM 947 CB GLU A 59 -1.579 -2.038 13.013 1.00 0.00 C ATOM 948 CG GLU A 59 -0.172 -2.318 13.545 1.00 0.00 C ATOM 949 CD GLU A 59 0.049 -1.637 14.898 1.00 0.00 C ATOM 950 OE1 GLU A 59 0.027 -0.387 14.914 1.00 0.00 O ATOM 951 OE2 GLU A 59 0.234 -2.382 15.885 1.00 0.00 O ATOM 0 H GLU A 59 -0.938 -1.035 10.765 1.00 0.00 H new ATOM 0 HA GLU A 59 -1.415 -3.737 11.739 1.00 0.00 H new ATOM 0 HB2 GLU A 59 -1.725 -0.963 12.910 1.00 0.00 H new ATOM 0 HB3 GLU A 59 -2.320 -2.393 13.729 1.00 0.00 H new ATOM 0 HG2 GLU A 59 -0.025 -3.393 13.647 1.00 0.00 H new ATOM 0 HG3 GLU A 59 0.569 -1.962 12.829 1.00 0.00 H new ATOM 958 N ALA A 60 -3.761 -1.755 10.646 1.00 0.00 N ATOM 959 CA ALA A 60 -5.159 -1.689 10.254 1.00 0.00 C ATOM 960 C ALA A 60 -5.513 -0.248 9.883 1.00 0.00 C ATOM 961 O ALA A 60 -4.903 0.694 10.388 1.00 0.00 O ATOM 962 CB ALA A 60 -6.032 -2.231 11.388 1.00 0.00 C ATOM 0 H ALA A 60 -3.200 -0.953 10.360 1.00 0.00 H new ATOM 0 HA ALA A 60 -5.342 -2.309 9.376 1.00 0.00 H new ATOM 0 HB1 ALA A 60 -7.081 -2.182 11.095 1.00 0.00 H new ATOM 0 HB2 ALA A 60 -5.761 -3.267 11.593 1.00 0.00 H new ATOM 0 HB3 ALA A 60 -5.877 -1.631 12.285 1.00 0.00 H new ATOM 968 N VAL A 61 -6.496 -0.121 9.005 1.00 0.00 N ATOM 969 CA VAL A 61 -6.939 1.190 8.561 1.00 0.00 C ATOM 970 C VAL A 61 -8.396 1.400 8.977 1.00 0.00 C ATOM 971 O VAL A 61 -9.131 0.436 9.185 1.00 0.00 O ATOM 972 CB VAL A 61 -6.721 1.332 7.053 1.00 0.00 C ATOM 973 CG1 VAL A 61 -6.771 -0.031 6.361 1.00 0.00 C ATOM 974 CG2 VAL A 61 -7.740 2.295 6.441 1.00 0.00 C ATOM 0 H VAL A 61 -6.999 -0.905 8.589 1.00 0.00 H new ATOM 0 HA VAL A 61 -6.350 1.974 9.037 1.00 0.00 H new ATOM 0 HB VAL A 61 -5.727 1.751 6.896 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -6.613 0.099 5.290 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.991 -0.674 6.768 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -7.745 -0.490 6.531 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -7.563 2.378 5.369 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -8.748 1.917 6.615 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -7.636 3.277 6.903 1.00 0.00 H new ATOM 984 N ALA A 62 -8.770 2.666 9.087 1.00 0.00 N ATOM 985 CA ALA A 62 -10.126 3.015 9.475 1.00 0.00 C ATOM 986 C ALA A 62 -10.549 4.291 8.743 1.00 0.00 C ATOM 987 O ALA A 62 -9.733 5.184 8.522 1.00 0.00 O ATOM 988 CB ALA A 62 -10.200 3.164 10.996 1.00 0.00 C ATOM 0 H ALA A 62 -8.157 3.463 8.914 1.00 0.00 H new ATOM 0 HA ALA A 62 -10.822 2.225 9.191 1.00 0.00 H new ATOM 0 HB1 ALA A 62 -11.217 3.426 11.287 1.00 0.00 H new ATOM 0 HB2 ALA A 62 -9.919 2.223 11.468 1.00 0.00 H new ATOM 0 HB3 ALA A 62 -9.517 3.950 11.318 1.00 0.00 H new ATOM 994 N PRO A 63 -11.858 4.337 8.379 1.00 0.00 N ATOM 995 CA PRO A 63 -12.400 5.488 7.677 1.00 0.00 C ATOM 996 C PRO A 63 -12.587 6.672 8.628 1.00 0.00 C ATOM 997 O PRO A 63 -13.559 6.720 9.381 1.00 0.00 O ATOM 998 CB PRO A 63 -13.706 5.001 7.070 1.00 0.00 C ATOM 999 CG PRO A 63 -14.077 3.741 7.836 1.00 0.00 C ATOM 1000 CD PRO A 63 -12.855 3.298 8.624 1.00 0.00 C ATOM 0 HA PRO A 63 -11.731 5.860 6.901 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -14.485 5.758 7.162 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -13.588 4.791 6.007 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -14.914 3.935 8.507 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -14.394 2.956 7.149 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -13.080 3.208 9.687 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -12.501 2.323 8.290 1.00 0.00 H new ATOM 1008 N GLY A 64 -11.642 7.598 8.563 1.00 0.00 N ATOM 1009 CA GLY A 64 -11.690 8.778 9.409 1.00 0.00 C ATOM 1010 C GLY A 64 -12.729 9.778 8.895 1.00 0.00 C ATOM 1011 O GLY A 64 -13.769 9.384 8.371 1.00 0.00 O ATOM 0 H GLY A 64 -10.838 7.555 7.937 1.00 0.00 H new ATOM 0 HA2 GLY A 64 -11.934 8.488 10.431 1.00 0.00 H new ATOM 0 HA3 GLY A 64 -10.708 9.250 9.437 1.00 0.00 H new ATOM 1015 N THR A 65 -12.410 11.053 9.065 1.00 0.00 N ATOM 1016 CA THR A 65 -13.302 12.112 8.626 1.00 0.00 C ATOM 1017 C THR A 65 -12.502 13.263 8.012 1.00 0.00 C ATOM 1018 O THR A 65 -11.282 13.323 8.159 1.00 0.00 O ATOM 1019 CB THR A 65 -14.158 12.536 9.821 1.00 0.00 C ATOM 1020 OG1 THR A 65 -15.474 12.643 9.285 1.00 0.00 O ATOM 1021 CG2 THR A 65 -13.834 13.953 10.300 1.00 0.00 C ATOM 0 H THR A 65 -11.546 11.376 9.501 1.00 0.00 H new ATOM 0 HA THR A 65 -13.970 11.765 7.837 1.00 0.00 H new ATOM 0 HB THR A 65 -14.010 11.833 10.641 1.00 0.00 H new ATOM 0 HG1 THR A 65 -16.095 12.912 9.994 1.00 0.00 H new ATOM 0 HG21 THR A 65 -14.469 14.204 11.149 1.00 0.00 H new ATOM 0 HG22 THR A 65 -12.788 14.005 10.602 1.00 0.00 H new ATOM 0 HG23 THR A 65 -14.014 14.661 9.491 1.00 0.00 H new ATOM 1029 N PRO A 66 -13.240 14.172 7.321 1.00 0.00 N ATOM 1030 CA PRO A 66 -12.613 15.318 6.685 1.00 0.00 C ATOM 1031 C PRO A 66 -12.220 16.373 7.721 1.00 0.00 C ATOM 1032 O PRO A 66 -13.057 17.162 8.156 1.00 0.00 O ATOM 1033 CB PRO A 66 -13.638 15.822 5.682 1.00 0.00 C ATOM 1034 CG PRO A 66 -14.970 15.233 6.117 1.00 0.00 C ATOM 1035 CD PRO A 66 -14.687 14.133 7.127 1.00 0.00 C ATOM 0 HA PRO A 66 -11.679 15.062 6.184 1.00 0.00 H new ATOM 0 HB2 PRO A 66 -13.676 16.911 5.676 1.00 0.00 H new ATOM 0 HB3 PRO A 66 -13.383 15.506 4.670 1.00 0.00 H new ATOM 0 HG2 PRO A 66 -15.602 16.003 6.559 1.00 0.00 H new ATOM 0 HG3 PRO A 66 -15.509 14.833 5.258 1.00 0.00 H new ATOM 0 HD2 PRO A 66 -15.217 14.309 8.063 1.00 0.00 H new ATOM 0 HD3 PRO A 66 -15.011 13.161 6.755 1.00 0.00 H new ATOM 1043 N THR A 67 -10.947 16.353 8.086 1.00 0.00 N ATOM 1044 CA THR A 67 -10.433 17.298 9.063 1.00 0.00 C ATOM 1045 C THR A 67 -10.083 18.626 8.387 1.00 0.00 C ATOM 1046 O THR A 67 -10.255 18.775 7.178 1.00 0.00 O ATOM 1047 CB THR A 67 -9.245 16.646 9.773 1.00 0.00 C ATOM 1048 OG1 THR A 67 -8.253 16.532 8.756 1.00 0.00 O ATOM 1049 CG2 THR A 67 -9.529 15.199 10.181 1.00 0.00 C ATOM 0 H THR A 67 -10.256 15.697 7.723 1.00 0.00 H new ATOM 0 HA THR A 67 -11.186 17.539 9.814 1.00 0.00 H new ATOM 0 HB THR A 67 -8.987 17.228 10.658 1.00 0.00 H new ATOM 0 HG1 THR A 67 -7.447 16.120 9.130 1.00 0.00 H new ATOM 0 HG21 THR A 67 -8.654 14.783 10.681 1.00 0.00 H new ATOM 0 HG22 THR A 67 -10.381 15.173 10.860 1.00 0.00 H new ATOM 0 HG23 THR A 67 -9.755 14.608 9.293 1.00 0.00 H new ATOM 1057 N ILE A 68 -9.599 19.555 9.197 1.00 0.00 N ATOM 1058 CA ILE A 68 -9.223 20.865 8.693 1.00 0.00 C ATOM 1059 C ILE A 68 -7.990 20.728 7.798 1.00 0.00 C ATOM 1060 O ILE A 68 -6.999 20.115 8.191 1.00 0.00 O ATOM 1061 CB ILE A 68 -9.038 21.851 9.848 1.00 0.00 C ATOM 1062 CG1 ILE A 68 -10.378 22.177 10.511 1.00 0.00 C ATOM 1063 CG2 ILE A 68 -8.308 23.112 9.381 1.00 0.00 C ATOM 1064 CD1 ILE A 68 -10.462 21.562 11.910 1.00 0.00 C ATOM 0 H ILE A 68 -9.458 19.427 10.199 1.00 0.00 H new ATOM 0 HA ILE A 68 -10.021 21.279 8.076 1.00 0.00 H new ATOM 0 HB ILE A 68 -8.412 21.377 10.604 1.00 0.00 H new ATOM 0 HG12 ILE A 68 -10.502 23.258 10.577 1.00 0.00 H new ATOM 0 HG13 ILE A 68 -11.194 21.800 9.895 1.00 0.00 H new ATOM 0 HG21 ILE A 68 -8.190 23.796 10.221 1.00 0.00 H new ATOM 0 HG22 ILE A 68 -7.326 22.841 8.992 1.00 0.00 H new ATOM 0 HG23 ILE A 68 -8.887 23.598 8.596 1.00 0.00 H new ATOM 0 HD11 ILE A 68 -11.424 21.809 12.359 1.00 0.00 H new ATOM 0 HD12 ILE A 68 -10.362 20.479 11.838 1.00 0.00 H new ATOM 0 HD13 ILE A 68 -9.659 21.960 12.531 1.00 0.00 H new ATOM 1076 N GLY A 69 -8.092 21.309 6.611 1.00 0.00 N ATOM 1077 CA GLY A 69 -6.997 21.259 5.657 1.00 0.00 C ATOM 1078 C GLY A 69 -7.338 20.345 4.479 1.00 0.00 C ATOM 1079 O GLY A 69 -7.075 20.688 3.327 1.00 0.00 O ATOM 0 H GLY A 69 -8.916 21.817 6.289 1.00 0.00 H new ATOM 0 HA2 GLY A 69 -6.782 22.263 5.292 1.00 0.00 H new ATOM 0 HA3 GLY A 69 -6.095 20.899 6.152 1.00 0.00 H new ATOM 1083 N ALA A 70 -7.918 19.200 4.807 1.00 0.00 N ATOM 1084 CA ALA A 70 -8.298 18.235 3.790 1.00 0.00 C ATOM 1085 C ALA A 70 -8.981 18.964 2.631 1.00 0.00 C ATOM 1086 O ALA A 70 -9.475 20.078 2.798 1.00 0.00 O ATOM 1087 CB ALA A 70 -9.194 17.162 4.413 1.00 0.00 C ATOM 0 H ALA A 70 -8.134 18.919 5.763 1.00 0.00 H new ATOM 0 HA ALA A 70 -7.417 17.732 3.390 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -9.479 16.438 3.650 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -8.652 16.654 5.211 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -10.090 17.629 4.823 1.00 0.00 H new ATOM 1093 N PRO A 71 -8.988 18.287 1.451 1.00 0.00 N ATOM 1094 CA PRO A 71 -9.602 18.858 0.265 1.00 0.00 C ATOM 1095 C PRO A 71 -11.128 18.792 0.351 1.00 0.00 C ATOM 1096 O PRO A 71 -11.683 17.820 0.863 1.00 0.00 O ATOM 1097 CB PRO A 71 -9.038 18.055 -0.896 1.00 0.00 C ATOM 1098 CG PRO A 71 -8.493 16.772 -0.289 1.00 0.00 C ATOM 1099 CD PRO A 71 -8.413 16.966 1.216 1.00 0.00 C ATOM 0 HA PRO A 71 -9.378 19.918 0.145 1.00 0.00 H new ATOM 0 HB2 PRO A 71 -9.811 17.840 -1.634 1.00 0.00 H new ATOM 0 HB3 PRO A 71 -8.252 18.609 -1.409 1.00 0.00 H new ATOM 0 HG2 PRO A 71 -9.141 15.930 -0.531 1.00 0.00 H new ATOM 0 HG3 PRO A 71 -7.508 16.545 -0.697 1.00 0.00 H new ATOM 0 HD2 PRO A 71 -8.969 16.192 1.745 1.00 0.00 H new ATOM 0 HD3 PRO A 71 -7.383 16.914 1.568 1.00 0.00 H new ATOM 1107 N LYS A 72 -11.764 19.837 -0.157 1.00 0.00 N ATOM 1108 CA LYS A 72 -13.215 19.910 -0.144 1.00 0.00 C ATOM 1109 C LYS A 72 -13.784 18.827 -1.063 1.00 0.00 C ATOM 1110 O LYS A 72 -14.737 18.138 -0.700 1.00 0.00 O ATOM 1111 CB LYS A 72 -13.684 21.323 -0.495 1.00 0.00 C ATOM 1112 CG LYS A 72 -13.558 22.258 0.710 1.00 0.00 C ATOM 1113 CD LYS A 72 -12.220 23.000 0.690 1.00 0.00 C ATOM 1114 CE LYS A 72 -12.335 24.317 -0.081 1.00 0.00 C ATOM 1115 NZ LYS A 72 -10.995 24.905 -0.303 1.00 0.00 N ATOM 0 H LYS A 72 -11.301 20.641 -0.581 1.00 0.00 H new ATOM 0 HA LYS A 72 -13.597 19.712 0.857 1.00 0.00 H new ATOM 0 HB2 LYS A 72 -13.092 21.711 -1.324 1.00 0.00 H new ATOM 0 HB3 LYS A 72 -14.721 21.293 -0.830 1.00 0.00 H new ATOM 0 HG2 LYS A 72 -14.377 22.977 0.704 1.00 0.00 H new ATOM 0 HG3 LYS A 72 -13.645 21.683 1.632 1.00 0.00 H new ATOM 0 HD2 LYS A 72 -11.895 23.199 1.711 1.00 0.00 H new ATOM 0 HD3 LYS A 72 -11.458 22.371 0.230 1.00 0.00 H new ATOM 0 HE2 LYS A 72 -12.826 24.143 -1.039 1.00 0.00 H new ATOM 0 HE3 LYS A 72 -12.959 25.017 0.474 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 -11.090 25.798 -0.827 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 -10.540 25.089 0.614 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 -10.412 24.242 -0.852 1.00 0.00 H new ATOM 1129 N THR A 73 -13.176 18.710 -2.234 1.00 0.00 N ATOM 1130 CA THR A 73 -13.611 17.723 -3.207 1.00 0.00 C ATOM 1131 C THR A 73 -13.900 16.387 -2.519 1.00 0.00 C ATOM 1132 O THR A 73 -15.022 15.886 -2.576 1.00 0.00 O ATOM 1133 CB THR A 73 -12.538 17.626 -4.294 1.00 0.00 C ATOM 1134 OG1 THR A 73 -11.320 17.480 -3.568 1.00 0.00 O ATOM 1135 CG2 THR A 73 -12.360 18.939 -5.059 1.00 0.00 C ATOM 0 H THR A 73 -12.386 19.282 -2.531 1.00 0.00 H new ATOM 0 HA THR A 73 -14.548 18.020 -3.679 1.00 0.00 H new ATOM 0 HB THR A 73 -12.800 16.831 -4.992 1.00 0.00 H new ATOM 0 HG1 THR A 73 -10.571 17.408 -4.196 1.00 0.00 H new ATOM 0 HG21 THR A 73 -11.588 18.816 -5.818 1.00 0.00 H new ATOM 0 HG22 THR A 73 -13.300 19.211 -5.539 1.00 0.00 H new ATOM 0 HG23 THR A 73 -12.065 19.727 -4.366 1.00 0.00 H new ATOM 1143 N VAL A 74 -12.869 15.849 -1.885 1.00 0.00 N ATOM 1144 CA VAL A 74 -12.999 14.581 -1.187 1.00 0.00 C ATOM 1145 C VAL A 74 -14.172 14.660 -0.209 1.00 0.00 C ATOM 1146 O VAL A 74 -14.538 15.745 0.241 1.00 0.00 O ATOM 1147 CB VAL A 74 -11.676 14.221 -0.507 1.00 0.00 C ATOM 1148 CG1 VAL A 74 -11.815 12.937 0.315 1.00 0.00 C ATOM 1149 CG2 VAL A 74 -10.548 14.097 -1.532 1.00 0.00 C ATOM 0 H VAL A 74 -11.940 16.268 -1.840 1.00 0.00 H new ATOM 0 HA VAL A 74 -13.217 13.778 -1.891 1.00 0.00 H new ATOM 0 HB VAL A 74 -11.419 15.031 0.176 1.00 0.00 H new ATOM 0 HG11 VAL A 74 -10.861 12.703 0.788 1.00 0.00 H new ATOM 0 HG12 VAL A 74 -12.576 13.077 1.083 1.00 0.00 H new ATOM 0 HG13 VAL A 74 -12.107 12.116 -0.340 1.00 0.00 H new ATOM 0 HG21 VAL A 74 -9.619 13.841 -1.022 1.00 0.00 H new ATOM 0 HG22 VAL A 74 -10.794 13.316 -2.251 1.00 0.00 H new ATOM 0 HG23 VAL A 74 -10.425 15.046 -2.054 1.00 0.00 H new ATOM 1159 N ASP A 75 -14.731 13.497 0.091 1.00 0.00 N ATOM 1160 CA ASP A 75 -15.855 13.420 1.008 1.00 0.00 C ATOM 1161 C ASP A 75 -15.377 12.866 2.351 1.00 0.00 C ATOM 1162 O ASP A 75 -14.184 12.631 2.540 1.00 0.00 O ATOM 1163 CB ASP A 75 -16.941 12.486 0.471 1.00 0.00 C ATOM 1164 CG ASP A 75 -18.376 12.974 0.680 1.00 0.00 C ATOM 1165 OD1 ASP A 75 -18.537 14.200 0.868 1.00 0.00 O ATOM 1166 OD2 ASP A 75 -19.280 12.111 0.648 1.00 0.00 O ATOM 0 H ASP A 75 -14.426 12.599 -0.285 1.00 0.00 H new ATOM 0 HA ASP A 75 -16.266 14.423 1.122 1.00 0.00 H new ATOM 0 HB2 ASP A 75 -16.776 12.337 -0.596 1.00 0.00 H new ATOM 0 HB3 ASP A 75 -16.831 11.513 0.949 1.00 0.00 H new ATOM 1171 N GLU A 76 -16.331 12.672 3.249 1.00 0.00 N ATOM 1172 CA GLU A 76 -16.022 12.150 4.569 1.00 0.00 C ATOM 1173 C GLU A 76 -15.899 10.625 4.521 1.00 0.00 C ATOM 1174 O GLU A 76 -15.122 10.038 5.273 1.00 0.00 O ATOM 1175 CB GLU A 76 -17.075 12.583 5.591 1.00 0.00 C ATOM 1176 CG GLU A 76 -18.456 12.037 5.220 1.00 0.00 C ATOM 1177 CD GLU A 76 -19.528 13.121 5.355 1.00 0.00 C ATOM 1178 OE1 GLU A 76 -19.206 14.282 5.022 1.00 0.00 O ATOM 1179 OE2 GLU A 76 -20.645 12.763 5.787 1.00 0.00 O ATOM 0 H GLU A 76 -17.319 12.867 3.088 1.00 0.00 H new ATOM 0 HA GLU A 76 -15.064 12.563 4.886 1.00 0.00 H new ATOM 0 HB2 GLU A 76 -16.793 12.227 6.582 1.00 0.00 H new ATOM 0 HB3 GLU A 76 -17.112 13.671 5.642 1.00 0.00 H new ATOM 0 HG2 GLU A 76 -18.440 11.662 4.197 1.00 0.00 H new ATOM 0 HG3 GLU A 76 -18.703 11.194 5.865 1.00 0.00 H new ATOM 1186 N LYS A 77 -16.677 10.029 3.630 1.00 0.00 N ATOM 1187 CA LYS A 77 -16.664 8.584 3.474 1.00 0.00 C ATOM 1188 C LYS A 77 -15.555 8.190 2.496 1.00 0.00 C ATOM 1189 O LYS A 77 -15.788 7.422 1.564 1.00 0.00 O ATOM 1190 CB LYS A 77 -18.050 8.077 3.069 1.00 0.00 C ATOM 1191 CG LYS A 77 -19.131 8.635 3.997 1.00 0.00 C ATOM 1192 CD LYS A 77 -20.527 8.394 3.420 1.00 0.00 C ATOM 1193 CE LYS A 77 -20.789 6.899 3.225 1.00 0.00 C ATOM 1194 NZ LYS A 77 -20.618 6.172 4.502 1.00 0.00 N ATOM 0 H LYS A 77 -17.320 10.520 3.009 1.00 0.00 H new ATOM 0 HA LYS A 77 -16.437 8.100 4.424 1.00 0.00 H new ATOM 0 HB2 LYS A 77 -18.262 8.370 2.041 1.00 0.00 H new ATOM 0 HB3 LYS A 77 -18.066 6.988 3.100 1.00 0.00 H new ATOM 0 HG2 LYS A 77 -19.052 8.164 4.977 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -18.974 9.704 4.143 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -21.278 8.814 4.089 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -20.624 8.911 2.466 1.00 0.00 H new ATOM 0 HE2 LYS A 77 -21.800 6.747 2.846 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -20.105 6.498 2.477 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -21.037 5.224 4.420 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -19.605 6.085 4.719 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -21.092 6.696 5.266 1.00 0.00 H new ATOM 1208 N ALA A 78 -14.373 8.735 2.742 1.00 0.00 N ATOM 1209 CA ALA A 78 -13.227 8.450 1.895 1.00 0.00 C ATOM 1210 C ALA A 78 -11.960 8.417 2.752 1.00 0.00 C ATOM 1211 O ALA A 78 -11.296 7.386 2.844 1.00 0.00 O ATOM 1212 CB ALA A 78 -13.147 9.492 0.776 1.00 0.00 C ATOM 0 H ALA A 78 -14.184 9.372 3.516 1.00 0.00 H new ATOM 0 HA ALA A 78 -13.332 7.473 1.424 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -12.287 9.278 0.141 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -14.058 9.455 0.179 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -13.039 10.486 1.211 1.00 0.00 H new ATOM 1218 N PHE A 79 -11.663 9.558 3.357 1.00 0.00 N ATOM 1219 CA PHE A 79 -10.488 9.673 4.203 1.00 0.00 C ATOM 1220 C PHE A 79 -10.340 8.445 5.104 1.00 0.00 C ATOM 1221 O PHE A 79 -11.221 8.152 5.911 1.00 0.00 O ATOM 1222 CB PHE A 79 -10.686 10.912 5.078 1.00 0.00 C ATOM 1223 CG PHE A 79 -10.749 12.224 4.294 1.00 0.00 C ATOM 1224 CD1 PHE A 79 -9.600 12.839 3.904 1.00 0.00 C ATOM 1225 CD2 PHE A 79 -11.953 12.775 3.986 1.00 0.00 C ATOM 1226 CE1 PHE A 79 -9.659 14.057 3.176 1.00 0.00 C ATOM 1227 CE2 PHE A 79 -12.012 13.993 3.257 1.00 0.00 C ATOM 1228 CZ PHE A 79 -10.863 14.608 2.868 1.00 0.00 C ATOM 0 H PHE A 79 -12.216 10.411 3.278 1.00 0.00 H new ATOM 0 HA PHE A 79 -9.592 9.749 3.587 1.00 0.00 H new ATOM 0 HB2 PHE A 79 -11.607 10.797 5.649 1.00 0.00 H new ATOM 0 HB3 PHE A 79 -9.870 10.970 5.798 1.00 0.00 H new ATOM 0 HD1 PHE A 79 -8.643 12.401 4.148 1.00 0.00 H new ATOM 0 HD2 PHE A 79 -12.865 12.287 4.296 1.00 0.00 H new ATOM 0 HE1 PHE A 79 -8.747 14.546 2.867 1.00 0.00 H new ATOM 0 HE2 PHE A 79 -12.969 14.430 3.012 1.00 0.00 H new ATOM 0 HZ PHE A 79 -10.907 15.534 2.314 1.00 0.00 H new ATOM 1238 N PHE A 80 -9.218 7.760 4.938 1.00 0.00 N ATOM 1239 CA PHE A 80 -8.942 6.571 5.726 1.00 0.00 C ATOM 1240 C PHE A 80 -7.555 6.647 6.366 1.00 0.00 C ATOM 1241 O PHE A 80 -6.565 6.907 5.683 1.00 0.00 O ATOM 1242 CB PHE A 80 -8.985 5.379 4.767 1.00 0.00 C ATOM 1243 CG PHE A 80 -7.904 5.413 3.684 1.00 0.00 C ATOM 1244 CD1 PHE A 80 -8.048 6.228 2.605 1.00 0.00 C ATOM 1245 CD2 PHE A 80 -6.800 4.628 3.801 1.00 0.00 C ATOM 1246 CE1 PHE A 80 -7.046 6.259 1.600 1.00 0.00 C ATOM 1247 CE2 PHE A 80 -5.798 4.659 2.796 1.00 0.00 C ATOM 1248 CZ PHE A 80 -5.942 5.474 1.717 1.00 0.00 C ATOM 0 H PHE A 80 -8.489 8.006 4.269 1.00 0.00 H new ATOM 0 HA PHE A 80 -9.676 6.476 6.526 1.00 0.00 H new ATOM 0 HB2 PHE A 80 -8.880 4.459 5.342 1.00 0.00 H new ATOM 0 HB3 PHE A 80 -9.964 5.346 4.288 1.00 0.00 H new ATOM 0 HD1 PHE A 80 -8.925 6.852 2.513 1.00 0.00 H new ATOM 0 HD2 PHE A 80 -6.685 3.981 4.658 1.00 0.00 H new ATOM 0 HE1 PHE A 80 -7.161 6.906 0.743 1.00 0.00 H new ATOM 0 HE2 PHE A 80 -4.921 4.035 2.888 1.00 0.00 H new ATOM 0 HZ PHE A 80 -5.179 5.498 0.953 1.00 0.00 H new ATOM 1258 N ASP A 81 -7.526 6.414 7.670 1.00 0.00 N ATOM 1259 CA ASP A 81 -6.276 6.452 8.410 1.00 0.00 C ATOM 1260 C ASP A 81 -5.603 5.080 8.337 1.00 0.00 C ATOM 1261 O ASP A 81 -6.240 4.058 8.589 1.00 0.00 O ATOM 1262 CB ASP A 81 -6.518 6.783 9.884 1.00 0.00 C ATOM 1263 CG ASP A 81 -5.870 8.080 10.371 1.00 0.00 C ATOM 1264 OD1 ASP A 81 -5.656 8.964 9.513 1.00 0.00 O ATOM 1265 OD2 ASP A 81 -5.602 8.158 11.589 1.00 0.00 O ATOM 0 H ASP A 81 -8.348 6.198 8.233 1.00 0.00 H new ATOM 0 HA ASP A 81 -5.645 7.223 7.967 1.00 0.00 H new ATOM 0 HB2 ASP A 81 -7.593 6.845 10.055 1.00 0.00 H new ATOM 0 HB3 ASP A 81 -6.146 5.958 10.492 1.00 0.00 H new ATOM 1270 N VAL A 82 -4.324 5.101 7.992 1.00 0.00 N ATOM 1271 CA VAL A 82 -3.558 3.871 7.884 1.00 0.00 C ATOM 1272 C VAL A 82 -2.612 3.758 9.080 1.00 0.00 C ATOM 1273 O VAL A 82 -1.664 4.533 9.203 1.00 0.00 O ATOM 1274 CB VAL A 82 -2.830 3.825 6.539 1.00 0.00 C ATOM 1275 CG1 VAL A 82 -1.818 2.679 6.502 1.00 0.00 C ATOM 1276 CG2 VAL A 82 -3.824 3.717 5.381 1.00 0.00 C ATOM 0 H VAL A 82 -3.799 5.950 7.784 1.00 0.00 H new ATOM 0 HA VAL A 82 -4.220 3.005 7.910 1.00 0.00 H new ATOM 0 HB VAL A 82 -2.281 4.760 6.423 1.00 0.00 H new ATOM 0 HG11 VAL A 82 -1.315 2.669 5.535 1.00 0.00 H new ATOM 0 HG12 VAL A 82 -1.081 2.818 7.293 1.00 0.00 H new ATOM 0 HG13 VAL A 82 -2.336 1.731 6.651 1.00 0.00 H new ATOM 0 HG21 VAL A 82 -3.281 3.686 4.437 1.00 0.00 H new ATOM 0 HG22 VAL A 82 -4.413 2.806 5.491 1.00 0.00 H new ATOM 0 HG23 VAL A 82 -4.488 4.582 5.389 1.00 0.00 H new ATOM 1286 N LYS A 83 -2.901 2.786 9.933 1.00 0.00 N ATOM 1287 CA LYS A 83 -2.087 2.561 11.116 1.00 0.00 C ATOM 1288 C LYS A 83 -0.962 1.581 10.777 1.00 0.00 C ATOM 1289 O LYS A 83 -1.218 0.486 10.277 1.00 0.00 O ATOM 1290 CB LYS A 83 -2.960 2.113 12.290 1.00 0.00 C ATOM 1291 CG LYS A 83 -3.907 3.233 12.727 1.00 0.00 C ATOM 1292 CD LYS A 83 -4.943 2.715 13.728 1.00 0.00 C ATOM 1293 CE LYS A 83 -5.633 3.873 14.450 1.00 0.00 C ATOM 1294 NZ LYS A 83 -7.040 3.996 14.006 1.00 0.00 N ATOM 0 H LYS A 83 -3.688 2.145 9.829 1.00 0.00 H new ATOM 0 HA LYS A 83 -1.615 3.490 11.436 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -3.538 1.234 12.004 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -2.327 1.819 13.127 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -3.334 4.044 13.178 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -4.414 3.647 11.855 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -5.687 2.111 13.208 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -4.457 2.065 14.456 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -5.598 3.710 15.527 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -5.100 4.803 14.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -7.494 4.787 14.506 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -7.067 4.173 12.982 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -7.549 3.114 14.218 1.00 0.00 H new ATOM 1308 N THR A 84 0.258 2.009 11.062 1.00 0.00 N ATOM 1309 CA THR A 84 1.423 1.183 10.794 1.00 0.00 C ATOM 1310 C THR A 84 2.337 1.135 12.020 1.00 0.00 C ATOM 1311 O THR A 84 1.959 1.589 13.099 1.00 0.00 O ATOM 1312 CB THR A 84 2.113 1.730 9.543 1.00 0.00 C ATOM 1313 OG1 THR A 84 1.967 3.143 9.656 1.00 0.00 O ATOM 1314 CG2 THR A 84 1.360 1.379 8.258 1.00 0.00 C ATOM 0 H THR A 84 0.466 2.918 11.476 1.00 0.00 H new ATOM 0 HA THR A 84 1.138 0.149 10.600 1.00 0.00 H new ATOM 0 HB THR A 84 3.128 1.337 9.487 1.00 0.00 H new ATOM 0 HG1 THR A 84 2.317 3.440 10.522 1.00 0.00 H new ATOM 0 HG21 THR A 84 1.892 1.791 7.400 1.00 0.00 H new ATOM 0 HG22 THR A 84 1.295 0.295 8.159 1.00 0.00 H new ATOM 0 HG23 THR A 84 0.356 1.800 8.298 1.00 0.00 H new ATOM 1322 N THR A 85 3.523 0.581 11.814 1.00 0.00 N ATOM 1323 CA THR A 85 4.493 0.468 12.889 1.00 0.00 C ATOM 1324 C THR A 85 5.267 1.778 13.049 1.00 0.00 C ATOM 1325 O THR A 85 5.447 2.264 14.165 1.00 0.00 O ATOM 1326 CB THR A 85 5.391 -0.735 12.591 1.00 0.00 C ATOM 1327 OG1 THR A 85 5.724 -0.586 11.213 1.00 0.00 O ATOM 1328 CG2 THR A 85 4.631 -2.062 12.649 1.00 0.00 C ATOM 0 H THR A 85 3.834 0.206 10.918 1.00 0.00 H new ATOM 0 HA THR A 85 4.003 0.297 13.847 1.00 0.00 H new ATOM 0 HB THR A 85 6.216 -0.758 13.303 1.00 0.00 H new ATOM 0 HG1 THR A 85 6.329 -1.308 10.943 1.00 0.00 H new ATOM 0 HG21 THR A 85 5.314 -2.883 12.430 1.00 0.00 H new ATOM 0 HG22 THR A 85 4.210 -2.197 13.645 1.00 0.00 H new ATOM 0 HG23 THR A 85 3.827 -2.053 11.913 1.00 0.00 H new ATOM 1336 N ARG A 86 5.702 2.313 11.918 1.00 0.00 N ATOM 1337 CA ARG A 86 6.452 3.558 11.919 1.00 0.00 C ATOM 1338 C ARG A 86 5.630 4.672 12.571 1.00 0.00 C ATOM 1339 O ARG A 86 5.982 5.161 13.643 1.00 0.00 O ATOM 1340 CB ARG A 86 6.827 3.976 10.496 1.00 0.00 C ATOM 1341 CG ARG A 86 7.869 3.027 9.902 1.00 0.00 C ATOM 1342 CD ARG A 86 8.992 3.806 9.214 1.00 0.00 C ATOM 1343 NE ARG A 86 9.879 2.875 8.482 1.00 0.00 N ATOM 1344 CZ ARG A 86 11.121 3.179 8.082 1.00 0.00 C ATOM 1345 NH1 ARG A 86 11.631 4.391 8.341 1.00 0.00 N ATOM 1346 NH2 ARG A 86 11.854 2.271 7.422 1.00 0.00 N ATOM 0 H ARG A 86 5.550 1.907 10.995 1.00 0.00 H new ATOM 0 HA ARG A 86 7.366 3.394 12.490 1.00 0.00 H new ATOM 0 HB2 ARG A 86 5.936 3.982 9.868 1.00 0.00 H new ATOM 0 HB3 ARG A 86 7.219 4.993 10.503 1.00 0.00 H new ATOM 0 HG2 ARG A 86 8.286 2.400 10.690 1.00 0.00 H new ATOM 0 HG3 ARG A 86 7.391 2.360 9.184 1.00 0.00 H new ATOM 0 HD2 ARG A 86 8.569 4.537 8.524 1.00 0.00 H new ATOM 0 HD3 ARG A 86 9.567 4.362 9.955 1.00 0.00 H new ATOM 0 HE ARG A 86 9.523 1.943 8.269 1.00 0.00 H new ATOM 0 HH11 ARG A 86 11.074 5.082 8.843 1.00 0.00 H new ATOM 0 HH12 ARG A 86 12.577 4.622 8.036 1.00 0.00 H new ATOM 0 HH21 ARG A 86 11.466 1.349 7.224 1.00 0.00 H new ATOM 0 HH22 ARG A 86 12.800 2.503 7.118 1.00 0.00 H new ATOM 1360 N ARG A 87 4.551 5.040 11.896 1.00 0.00 N ATOM 1361 CA ARG A 87 3.677 6.087 12.396 1.00 0.00 C ATOM 1362 C ARG A 87 2.312 6.012 11.709 1.00 0.00 C ATOM 1363 O ARG A 87 2.149 5.299 10.719 1.00 0.00 O ATOM 1364 CB ARG A 87 4.284 7.472 12.159 1.00 0.00 C ATOM 1365 CG ARG A 87 4.106 7.906 10.702 1.00 0.00 C ATOM 1366 CD ARG A 87 5.191 8.903 10.291 1.00 0.00 C ATOM 1367 NE ARG A 87 6.524 8.266 10.383 1.00 0.00 N ATOM 1368 CZ ARG A 87 7.682 8.924 10.235 1.00 0.00 C ATOM 1369 NH1 ARG A 87 7.679 10.241 9.989 1.00 0.00 N ATOM 1370 NH2 ARG A 87 8.844 8.264 10.334 1.00 0.00 N ATOM 0 H ARG A 87 4.262 4.632 11.007 1.00 0.00 H new ATOM 0 HA ARG A 87 3.557 5.934 13.469 1.00 0.00 H new ATOM 0 HB2 ARG A 87 3.810 8.199 12.819 1.00 0.00 H new ATOM 0 HB3 ARG A 87 5.344 7.456 12.411 1.00 0.00 H new ATOM 0 HG2 ARG A 87 4.144 7.032 10.051 1.00 0.00 H new ATOM 0 HG3 ARG A 87 3.123 8.358 10.571 1.00 0.00 H new ATOM 0 HD2 ARG A 87 5.013 9.248 9.272 1.00 0.00 H new ATOM 0 HD3 ARG A 87 5.153 9.781 10.936 1.00 0.00 H new ATOM 0 HE ARG A 87 6.564 7.264 10.571 1.00 0.00 H new ATOM 0 HH11 ARG A 87 6.795 10.744 9.914 1.00 0.00 H new ATOM 0 HH12 ARG A 87 8.561 10.741 9.877 1.00 0.00 H new ATOM 0 HH21 ARG A 87 8.847 7.261 10.522 1.00 0.00 H new ATOM 0 HH22 ARG A 87 9.726 8.764 10.221 1.00 0.00 H new ATOM 1384 N VAL A 88 1.365 6.757 12.260 1.00 0.00 N ATOM 1385 CA VAL A 88 0.020 6.784 11.713 1.00 0.00 C ATOM 1386 C VAL A 88 -0.011 7.702 10.490 1.00 0.00 C ATOM 1387 O VAL A 88 0.629 8.753 10.482 1.00 0.00 O ATOM 1388 CB VAL A 88 -0.978 7.198 12.797 1.00 0.00 C ATOM 1389 CG1 VAL A 88 -2.224 7.837 12.180 1.00 0.00 C ATOM 1390 CG2 VAL A 88 -1.353 6.007 13.681 1.00 0.00 C ATOM 0 H VAL A 88 1.503 7.347 13.081 1.00 0.00 H new ATOM 0 HA VAL A 88 -0.276 5.789 11.380 1.00 0.00 H new ATOM 0 HB VAL A 88 -0.496 7.945 13.428 1.00 0.00 H new ATOM 0 HG11 VAL A 88 -2.917 8.122 12.972 1.00 0.00 H new ATOM 0 HG12 VAL A 88 -1.936 8.723 11.614 1.00 0.00 H new ATOM 0 HG13 VAL A 88 -2.708 7.122 11.514 1.00 0.00 H new ATOM 0 HG21 VAL A 88 -2.063 6.329 14.443 1.00 0.00 H new ATOM 0 HG22 VAL A 88 -1.806 5.228 13.068 1.00 0.00 H new ATOM 0 HG23 VAL A 88 -0.457 5.615 14.163 1.00 0.00 H new ATOM 1400 N TYR A 89 -0.761 7.273 9.485 1.00 0.00 N ATOM 1401 CA TYR A 89 -0.883 8.044 8.260 1.00 0.00 C ATOM 1402 C TYR A 89 -2.328 8.495 8.037 1.00 0.00 C ATOM 1403 O TYR A 89 -3.250 7.960 8.651 1.00 0.00 O ATOM 1404 CB TYR A 89 -0.475 7.100 7.126 1.00 0.00 C ATOM 1405 CG TYR A 89 0.980 6.634 7.197 1.00 0.00 C ATOM 1406 CD1 TYR A 89 1.976 7.531 7.526 1.00 0.00 C ATOM 1407 CD2 TYR A 89 1.297 5.318 6.931 1.00 0.00 C ATOM 1408 CE1 TYR A 89 3.346 7.093 7.593 1.00 0.00 C ATOM 1409 CE2 TYR A 89 2.667 4.879 6.998 1.00 0.00 C ATOM 1410 CZ TYR A 89 3.624 5.788 7.325 1.00 0.00 C ATOM 1411 OH TYR A 89 4.918 5.374 7.388 1.00 0.00 O ATOM 0 H TYR A 89 -1.290 6.401 9.495 1.00 0.00 H new ATOM 0 HA TYR A 89 -0.261 8.938 8.305 1.00 0.00 H new ATOM 0 HB2 TYR A 89 -1.127 6.226 7.142 1.00 0.00 H new ATOM 0 HB3 TYR A 89 -0.639 7.602 6.173 1.00 0.00 H new ATOM 0 HD1 TYR A 89 1.728 8.561 7.733 1.00 0.00 H new ATOM 0 HD2 TYR A 89 0.517 4.617 6.672 1.00 0.00 H new ATOM 0 HE1 TYR A 89 4.135 7.784 7.850 1.00 0.00 H new ATOM 0 HE2 TYR A 89 2.928 3.851 6.793 1.00 0.00 H new ATOM 0 HH TYR A 89 4.967 4.419 7.174 1.00 0.00 H new ATOM 1421 N ASN A 90 -2.479 9.474 7.158 1.00 0.00 N ATOM 1422 CA ASN A 90 -3.796 10.003 6.847 1.00 0.00 C ATOM 1423 C ASN A 90 -3.961 10.090 5.328 1.00 0.00 C ATOM 1424 O ASN A 90 -3.714 11.137 4.733 1.00 0.00 O ATOM 1425 CB ASN A 90 -3.975 11.409 7.423 1.00 0.00 C ATOM 1426 CG ASN A 90 -4.641 11.357 8.799 1.00 0.00 C ATOM 1427 OD1 ASN A 90 -5.842 11.519 8.943 1.00 0.00 O ATOM 1428 ND2 ASN A 90 -3.797 11.123 9.800 1.00 0.00 N ATOM 0 H ASN A 90 -1.711 9.915 6.651 1.00 0.00 H new ATOM 0 HA ASN A 90 -4.539 9.336 7.285 1.00 0.00 H new ATOM 0 HB2 ASN A 90 -3.005 11.899 7.503 1.00 0.00 H new ATOM 0 HB3 ASN A 90 -4.581 12.010 6.744 1.00 0.00 H new ATOM 0 HD21 ASN A 90 -4.144 11.070 10.758 1.00 0.00 H new ATOM 0 HD22 ASN A 90 -2.803 10.997 9.610 1.00 0.00 H new ATOM 1435 N PHE A 91 -4.377 8.975 4.746 1.00 0.00 N ATOM 1436 CA PHE A 91 -4.578 8.912 3.308 1.00 0.00 C ATOM 1437 C PHE A 91 -6.062 9.026 2.956 1.00 0.00 C ATOM 1438 O PHE A 91 -6.924 8.779 3.798 1.00 0.00 O ATOM 1439 CB PHE A 91 -4.058 7.551 2.843 1.00 0.00 C ATOM 1440 CG PHE A 91 -2.549 7.367 3.019 1.00 0.00 C ATOM 1441 CD1 PHE A 91 -1.708 8.414 2.807 1.00 0.00 C ATOM 1442 CD2 PHE A 91 -2.050 6.157 3.388 1.00 0.00 C ATOM 1443 CE1 PHE A 91 -0.307 8.244 2.971 1.00 0.00 C ATOM 1444 CE2 PHE A 91 -0.649 5.987 3.552 1.00 0.00 C ATOM 1445 CZ PHE A 91 0.192 7.034 3.339 1.00 0.00 C ATOM 0 H PHE A 91 -4.580 8.108 5.244 1.00 0.00 H new ATOM 0 HA PHE A 91 -4.053 9.735 2.823 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -4.576 6.768 3.396 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -4.309 7.418 1.791 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -2.105 9.375 2.514 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -2.718 5.326 3.556 1.00 0.00 H new ATOM 0 HE1 PHE A 91 0.361 9.076 2.803 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -0.252 5.026 3.846 1.00 0.00 H new ATOM 0 HZ PHE A 91 1.257 6.904 3.462 1.00 0.00 H new ATOM 1455 N CYS A 92 -6.315 9.399 1.710 1.00 0.00 N ATOM 1456 CA CYS A 92 -7.681 9.548 1.236 1.00 0.00 C ATOM 1457 C CYS A 92 -7.670 9.475 -0.292 1.00 0.00 C ATOM 1458 O CYS A 92 -6.669 9.806 -0.926 1.00 0.00 O ATOM 1459 CB CYS A 92 -8.317 10.845 1.741 1.00 0.00 C ATOM 1460 SG CYS A 92 -7.651 12.272 0.809 1.00 0.00 S ATOM 0 H CYS A 92 -5.597 9.602 1.014 1.00 0.00 H new ATOM 0 HA CYS A 92 -8.296 8.741 1.633 1.00 0.00 H new ATOM 0 HB2 CYS A 92 -9.400 10.798 1.625 1.00 0.00 H new ATOM 0 HB3 CYS A 92 -8.115 10.969 2.805 1.00 0.00 H new ATOM 0 HG CYS A 92 -8.138 13.374 1.297 1.00 0.00 H new ATOM 1466 N ALA A 93 -8.795 9.040 -0.840 1.00 0.00 N ATOM 1467 CA ALA A 93 -8.927 8.919 -2.282 1.00 0.00 C ATOM 1468 C ALA A 93 -9.675 10.138 -2.825 1.00 0.00 C ATOM 1469 O ALA A 93 -10.134 10.982 -2.057 1.00 0.00 O ATOM 1470 CB ALA A 93 -9.631 7.604 -2.622 1.00 0.00 C ATOM 0 H ALA A 93 -9.624 8.767 -0.311 1.00 0.00 H new ATOM 0 HA ALA A 93 -7.946 8.896 -2.757 1.00 0.00 H new ATOM 0 HB1 ALA A 93 -9.730 7.513 -3.704 1.00 0.00 H new ATOM 0 HB2 ALA A 93 -9.045 6.768 -2.240 1.00 0.00 H new ATOM 0 HB3 ALA A 93 -10.620 7.592 -2.165 1.00 0.00 H new ATOM 1476 N GLN A 94 -9.773 10.193 -4.145 1.00 0.00 N ATOM 1477 CA GLN A 94 -10.457 11.295 -4.800 1.00 0.00 C ATOM 1478 C GLN A 94 -11.927 10.943 -5.034 1.00 0.00 C ATOM 1479 O GLN A 94 -12.509 11.333 -6.045 1.00 0.00 O ATOM 1480 CB GLN A 94 -9.766 11.666 -6.114 1.00 0.00 C ATOM 1481 CG GLN A 94 -8.899 12.914 -5.944 1.00 0.00 C ATOM 1482 CD GLN A 94 -9.405 14.058 -6.826 1.00 0.00 C ATOM 1483 OE1 GLN A 94 -10.378 14.728 -6.521 1.00 0.00 O ATOM 1484 NE2 GLN A 94 -8.692 14.242 -7.934 1.00 0.00 N ATOM 0 H GLN A 94 -9.390 9.492 -4.779 1.00 0.00 H new ATOM 0 HA GLN A 94 -10.412 12.166 -4.146 1.00 0.00 H new ATOM 0 HB2 GLN A 94 -9.149 10.834 -6.452 1.00 0.00 H new ATOM 0 HB3 GLN A 94 -10.515 11.842 -6.886 1.00 0.00 H new ATOM 0 HG2 GLN A 94 -8.905 13.226 -4.899 1.00 0.00 H new ATOM 0 HG3 GLN A 94 -7.866 12.681 -6.202 1.00 0.00 H new ATOM 0 HE21 GLN A 94 -7.888 13.645 -8.128 1.00 0.00 H new ATOM 0 HE22 GLN A 94 -8.949 14.980 -8.589 1.00 0.00 H new ATOM 1493 N ASP A 95 -12.486 10.210 -4.082 1.00 0.00 N ATOM 1494 CA ASP A 95 -13.877 9.801 -4.172 1.00 0.00 C ATOM 1495 C ASP A 95 -14.219 8.907 -2.979 1.00 0.00 C ATOM 1496 O ASP A 95 -13.326 8.394 -2.306 1.00 0.00 O ATOM 1497 CB ASP A 95 -14.136 9.003 -5.451 1.00 0.00 C ATOM 1498 CG ASP A 95 -15.407 9.389 -6.208 1.00 0.00 C ATOM 1499 OD1 ASP A 95 -16.277 10.022 -5.572 1.00 0.00 O ATOM 1500 OD2 ASP A 95 -15.481 9.043 -7.407 1.00 0.00 O ATOM 0 H ASP A 95 -12.000 9.889 -3.244 1.00 0.00 H new ATOM 0 HA ASP A 95 -14.493 10.700 -4.178 1.00 0.00 H new ATOM 0 HB2 ASP A 95 -13.283 9.127 -6.118 1.00 0.00 H new ATOM 0 HB3 ASP A 95 -14.190 7.945 -5.196 1.00 0.00 H new ATOM 1505 N VAL A 96 -15.515 8.746 -2.752 1.00 0.00 N ATOM 1506 CA VAL A 96 -15.986 7.922 -1.652 1.00 0.00 C ATOM 1507 C VAL A 96 -15.832 6.446 -2.024 1.00 0.00 C ATOM 1508 O VAL A 96 -15.339 5.649 -1.227 1.00 0.00 O ATOM 1509 CB VAL A 96 -17.424 8.301 -1.293 1.00 0.00 C ATOM 1510 CG1 VAL A 96 -18.224 7.070 -0.861 1.00 0.00 C ATOM 1511 CG2 VAL A 96 -17.451 9.381 -0.209 1.00 0.00 C ATOM 0 H VAL A 96 -16.253 9.173 -3.312 1.00 0.00 H new ATOM 0 HA VAL A 96 -15.385 8.097 -0.759 1.00 0.00 H new ATOM 0 HB VAL A 96 -17.896 8.710 -2.186 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -19.243 7.367 -0.611 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -18.247 6.346 -1.676 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -17.753 6.618 0.012 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -18.485 9.633 0.028 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -16.953 9.010 0.687 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -16.934 10.271 -0.569 1.00 0.00 H new ATOM 1521 N PRO A 97 -16.275 6.117 -3.268 1.00 0.00 N ATOM 1522 CA PRO A 97 -16.192 4.751 -3.755 1.00 0.00 C ATOM 1523 C PRO A 97 -14.754 4.391 -4.134 1.00 0.00 C ATOM 1524 O PRO A 97 -14.422 3.215 -4.278 1.00 0.00 O ATOM 1525 CB PRO A 97 -17.149 4.694 -4.934 1.00 0.00 C ATOM 1526 CG PRO A 97 -17.380 6.138 -5.352 1.00 0.00 C ATOM 1527 CD PRO A 97 -16.865 7.034 -4.239 1.00 0.00 C ATOM 0 HA PRO A 97 -16.470 4.017 -2.998 1.00 0.00 H new ATOM 0 HB2 PRO A 97 -16.726 4.113 -5.753 1.00 0.00 H new ATOM 0 HB3 PRO A 97 -18.086 4.214 -4.654 1.00 0.00 H new ATOM 0 HG2 PRO A 97 -16.860 6.353 -6.286 1.00 0.00 H new ATOM 0 HG3 PRO A 97 -18.440 6.319 -5.528 1.00 0.00 H new ATOM 0 HD2 PRO A 97 -16.127 7.744 -4.612 1.00 0.00 H new ATOM 0 HD3 PRO A 97 -17.672 7.616 -3.794 1.00 0.00 H new ATOM 1535 N SER A 98 -13.939 5.425 -4.286 1.00 0.00 N ATOM 1536 CA SER A 98 -12.545 5.232 -4.646 1.00 0.00 C ATOM 1537 C SER A 98 -11.724 4.896 -3.400 1.00 0.00 C ATOM 1538 O SER A 98 -10.786 4.104 -3.465 1.00 0.00 O ATOM 1539 CB SER A 98 -11.978 6.474 -5.336 1.00 0.00 C ATOM 1540 OG SER A 98 -12.748 6.852 -6.474 1.00 0.00 O ATOM 0 H SER A 98 -14.218 6.399 -4.166 1.00 0.00 H new ATOM 0 HA SER A 98 -12.485 4.400 -5.348 1.00 0.00 H new ATOM 0 HB2 SER A 98 -11.949 7.301 -4.627 1.00 0.00 H new ATOM 0 HB3 SER A 98 -10.950 6.281 -5.642 1.00 0.00 H new ATOM 0 HG SER A 98 -12.208 7.423 -7.059 1.00 0.00 H new ATOM 1546 N ALA A 99 -12.108 5.515 -2.293 1.00 0.00 N ATOM 1547 CA ALA A 99 -11.419 5.291 -1.033 1.00 0.00 C ATOM 1548 C ALA A 99 -11.692 3.864 -0.554 1.00 0.00 C ATOM 1549 O ALA A 99 -10.760 3.105 -0.292 1.00 0.00 O ATOM 1550 CB ALA A 99 -11.864 6.342 -0.014 1.00 0.00 C ATOM 0 H ALA A 99 -12.887 6.171 -2.242 1.00 0.00 H new ATOM 0 HA ALA A 99 -10.342 5.396 -1.161 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -11.347 6.174 0.931 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -11.622 7.337 -0.388 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -12.940 6.265 0.142 1.00 0.00 H new ATOM 1556 N GLN A 100 -12.973 3.541 -0.455 1.00 0.00 N ATOM 1557 CA GLN A 100 -13.380 2.219 -0.012 1.00 0.00 C ATOM 1558 C GLN A 100 -12.527 1.146 -0.692 1.00 0.00 C ATOM 1559 O GLN A 100 -12.091 0.193 -0.047 1.00 0.00 O ATOM 1560 CB GLN A 100 -14.868 1.985 -0.279 1.00 0.00 C ATOM 1561 CG GLN A 100 -15.727 2.995 0.485 1.00 0.00 C ATOM 1562 CD GLN A 100 -16.979 2.328 1.058 1.00 0.00 C ATOM 1563 OE1 GLN A 100 -17.010 1.874 2.190 1.00 0.00 O ATOM 1564 NE2 GLN A 100 -18.008 2.294 0.215 1.00 0.00 N ATOM 0 H GLN A 100 -13.743 4.173 -0.674 1.00 0.00 H new ATOM 0 HA GLN A 100 -13.223 2.154 1.065 1.00 0.00 H new ATOM 0 HB2 GLN A 100 -15.067 2.068 -1.348 1.00 0.00 H new ATOM 0 HB3 GLN A 100 -15.140 0.972 0.019 1.00 0.00 H new ATOM 0 HG2 GLN A 100 -15.144 3.436 1.293 1.00 0.00 H new ATOM 0 HG3 GLN A 100 -16.016 3.809 -0.180 1.00 0.00 H new ATOM 0 HE21 GLN A 100 -17.915 2.693 -0.719 1.00 0.00 H new ATOM 0 HE22 GLN A 100 -18.890 1.869 0.503 1.00 0.00 H new ATOM 1573 N GLN A 101 -12.313 1.337 -1.985 1.00 0.00 N ATOM 1574 CA GLN A 101 -11.519 0.397 -2.759 1.00 0.00 C ATOM 1575 C GLN A 101 -10.096 0.320 -2.203 1.00 0.00 C ATOM 1576 O GLN A 101 -9.507 -0.758 -2.141 1.00 0.00 O ATOM 1577 CB GLN A 101 -11.508 0.779 -4.241 1.00 0.00 C ATOM 1578 CG GLN A 101 -12.843 0.435 -4.905 1.00 0.00 C ATOM 1579 CD GLN A 101 -12.658 0.158 -6.398 1.00 0.00 C ATOM 1580 OE1 GLN A 101 -11.556 -0.022 -6.890 1.00 0.00 O ATOM 1581 NE2 GLN A 101 -13.794 0.135 -7.089 1.00 0.00 N ATOM 0 H GLN A 101 -12.675 2.129 -2.517 1.00 0.00 H new ATOM 0 HA GLN A 101 -11.975 -0.589 -2.675 1.00 0.00 H new ATOM 0 HB2 GLN A 101 -11.311 1.846 -4.344 1.00 0.00 H new ATOM 0 HB3 GLN A 101 -10.699 0.255 -4.750 1.00 0.00 H new ATOM 0 HG2 GLN A 101 -13.279 -0.439 -4.421 1.00 0.00 H new ATOM 0 HG3 GLN A 101 -13.544 1.259 -4.768 1.00 0.00 H new ATOM 0 HE21 GLN A 101 -14.683 0.294 -6.614 1.00 0.00 H new ATOM 0 HE22 GLN A 101 -13.776 -0.041 -8.093 1.00 0.00 H new ATOM 1590 N TRP A 102 -9.584 1.478 -1.813 1.00 0.00 N ATOM 1591 CA TRP A 102 -8.241 1.555 -1.263 1.00 0.00 C ATOM 1592 C TRP A 102 -8.214 0.749 0.037 1.00 0.00 C ATOM 1593 O TRP A 102 -7.468 -0.222 0.155 1.00 0.00 O ATOM 1594 CB TRP A 102 -7.809 3.011 -1.073 1.00 0.00 C ATOM 1595 CG TRP A 102 -7.187 3.643 -2.320 1.00 0.00 C ATOM 1596 CD1 TRP A 102 -7.750 4.509 -3.174 1.00 0.00 C ATOM 1597 CD2 TRP A 102 -5.851 3.423 -2.820 1.00 0.00 C ATOM 1598 NE1 TRP A 102 -6.878 4.861 -4.185 1.00 0.00 N ATOM 1599 CE2 TRP A 102 -5.687 4.180 -3.963 1.00 0.00 C ATOM 1600 CE3 TRP A 102 -4.816 2.611 -2.325 1.00 0.00 C ATOM 1601 CZ2 TRP A 102 -4.500 4.200 -4.705 1.00 0.00 C ATOM 1602 CZ3 TRP A 102 -3.636 2.642 -3.078 1.00 0.00 C ATOM 1603 CH2 TRP A 102 -3.455 3.399 -4.230 1.00 0.00 C ATOM 0 H TRP A 102 -10.075 2.371 -1.867 1.00 0.00 H new ATOM 0 HA TRP A 102 -7.517 1.124 -1.954 1.00 0.00 H new ATOM 0 HB2 TRP A 102 -8.676 3.600 -0.773 1.00 0.00 H new ATOM 0 HB3 TRP A 102 -7.090 3.062 -0.255 1.00 0.00 H new ATOM 0 HD1 TRP A 102 -8.759 4.884 -3.083 1.00 0.00 H new ATOM 0 HE1 TRP A 102 -7.072 5.503 -4.954 1.00 0.00 H new ATOM 0 HE3 TRP A 102 -4.923 2.010 -1.434 1.00 0.00 H new ATOM 0 HZ2 TRP A 102 -4.396 4.801 -5.596 1.00 0.00 H new ATOM 0 HZ3 TRP A 102 -2.809 2.036 -2.740 1.00 0.00 H new ATOM 0 HH2 TRP A 102 -2.512 3.369 -4.756 1.00 0.00 H new ATOM 1614 N VAL A 103 -9.038 1.182 0.980 1.00 0.00 N ATOM 1615 CA VAL A 103 -9.118 0.513 2.268 1.00 0.00 C ATOM 1616 C VAL A 103 -9.231 -0.997 2.046 1.00 0.00 C ATOM 1617 O VAL A 103 -8.393 -1.762 2.522 1.00 0.00 O ATOM 1618 CB VAL A 103 -10.280 1.085 3.083 1.00 0.00 C ATOM 1619 CG1 VAL A 103 -10.457 0.319 4.396 1.00 0.00 C ATOM 1620 CG2 VAL A 103 -10.083 2.580 3.342 1.00 0.00 C ATOM 0 H VAL A 103 -9.656 1.987 0.878 1.00 0.00 H new ATOM 0 HA VAL A 103 -8.212 0.691 2.848 1.00 0.00 H new ATOM 0 HB VAL A 103 -11.192 0.964 2.499 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -11.289 0.745 4.957 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -10.664 -0.729 4.181 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -9.544 0.395 4.987 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -10.922 2.962 3.923 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -9.157 2.734 3.897 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -10.029 3.110 2.391 1.00 0.00 H new ATOM 1630 N ASP A 104 -10.272 -1.382 1.324 1.00 0.00 N ATOM 1631 CA ASP A 104 -10.505 -2.786 1.034 1.00 0.00 C ATOM 1632 C ASP A 104 -9.188 -3.440 0.610 1.00 0.00 C ATOM 1633 O ASP A 104 -8.753 -4.418 1.216 1.00 0.00 O ATOM 1634 CB ASP A 104 -11.506 -2.954 -0.111 1.00 0.00 C ATOM 1635 CG ASP A 104 -12.760 -3.758 0.239 1.00 0.00 C ATOM 1636 OD1 ASP A 104 -12.706 -4.995 0.069 1.00 0.00 O ATOM 1637 OD2 ASP A 104 -13.743 -3.118 0.669 1.00 0.00 O ATOM 0 H ASP A 104 -10.965 -0.745 0.931 1.00 0.00 H new ATOM 0 HA ASP A 104 -10.905 -3.254 1.934 1.00 0.00 H new ATOM 0 HB2 ASP A 104 -11.811 -1.966 -0.455 1.00 0.00 H new ATOM 0 HB3 ASP A 104 -11.002 -3.441 -0.946 1.00 0.00 H new ATOM 1642 N ARG A 105 -8.590 -2.873 -0.428 1.00 0.00 N ATOM 1643 CA ARG A 105 -7.332 -3.388 -0.941 1.00 0.00 C ATOM 1644 C ARG A 105 -6.328 -3.567 0.200 1.00 0.00 C ATOM 1645 O ARG A 105 -5.933 -4.689 0.514 1.00 0.00 O ATOM 1646 CB ARG A 105 -6.738 -2.447 -1.990 1.00 0.00 C ATOM 1647 CG ARG A 105 -6.867 -3.040 -3.395 1.00 0.00 C ATOM 1648 CD ARG A 105 -6.138 -2.175 -4.424 1.00 0.00 C ATOM 1649 NE ARG A 105 -5.118 -2.982 -5.132 1.00 0.00 N ATOM 1650 CZ ARG A 105 -5.399 -4.053 -5.887 1.00 0.00 C ATOM 1651 NH1 ARG A 105 -6.669 -4.452 -6.037 1.00 0.00 N ATOM 1652 NH2 ARG A 105 -4.409 -4.724 -6.491 1.00 0.00 N ATOM 0 H ARG A 105 -8.954 -2.062 -0.928 1.00 0.00 H new ATOM 0 HA ARG A 105 -7.534 -4.352 -1.408 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -7.247 -1.484 -1.950 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -5.688 -2.262 -1.765 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -6.456 -4.049 -3.407 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -7.920 -3.122 -3.664 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -6.852 -1.767 -5.140 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -5.664 -1.328 -3.929 1.00 0.00 H new ATOM 0 HE ARG A 105 -4.141 -2.705 -5.039 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -7.422 -3.941 -5.577 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -6.883 -5.267 -6.612 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -3.442 -4.420 -6.376 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -4.622 -5.539 -7.066 1.00 0.00 H new ATOM 1666 N ILE A 106 -5.944 -2.445 0.790 1.00 0.00 N ATOM 1667 CA ILE A 106 -4.994 -2.464 1.889 1.00 0.00 C ATOM 1668 C ILE A 106 -5.436 -3.503 2.922 1.00 0.00 C ATOM 1669 O ILE A 106 -4.663 -4.385 3.290 1.00 0.00 O ATOM 1670 CB ILE A 106 -4.816 -1.059 2.468 1.00 0.00 C ATOM 1671 CG1 ILE A 106 -4.238 -0.104 1.421 1.00 0.00 C ATOM 1672 CG2 ILE A 106 -3.969 -1.094 3.741 1.00 0.00 C ATOM 1673 CD1 ILE A 106 -4.895 1.275 1.515 1.00 0.00 C ATOM 0 H ILE A 106 -6.274 -1.516 0.528 1.00 0.00 H new ATOM 0 HA ILE A 106 -4.008 -2.765 1.535 1.00 0.00 H new ATOM 0 HB ILE A 106 -5.798 -0.677 2.745 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -3.162 -0.009 1.565 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -4.391 -0.516 0.424 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -3.858 -0.083 4.132 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -4.459 -1.720 4.487 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -2.986 -1.505 3.512 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -4.466 1.934 0.760 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -5.968 1.179 1.346 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -4.720 1.695 2.505 1.00 0.00 H new ATOM 1685 N GLN A 107 -6.679 -3.363 3.360 1.00 0.00 N ATOM 1686 CA GLN A 107 -7.233 -4.278 4.343 1.00 0.00 C ATOM 1687 C GLN A 107 -7.131 -5.720 3.842 1.00 0.00 C ATOM 1688 O GLN A 107 -7.131 -6.659 4.637 1.00 0.00 O ATOM 1689 CB GLN A 107 -8.682 -3.915 4.675 1.00 0.00 C ATOM 1690 CG GLN A 107 -8.759 -3.096 5.966 1.00 0.00 C ATOM 1691 CD GLN A 107 -9.319 -3.937 7.115 1.00 0.00 C ATOM 1692 OE1 GLN A 107 -9.464 -5.145 7.021 1.00 0.00 O ATOM 1693 NE2 GLN A 107 -9.623 -3.234 8.202 1.00 0.00 N ATOM 0 H GLN A 107 -7.318 -2.630 3.052 1.00 0.00 H new ATOM 0 HA GLN A 107 -6.651 -4.190 5.261 1.00 0.00 H new ATOM 0 HB2 GLN A 107 -9.116 -3.346 3.853 1.00 0.00 H new ATOM 0 HB3 GLN A 107 -9.274 -4.824 4.781 1.00 0.00 H new ATOM 0 HG2 GLN A 107 -7.766 -2.730 6.229 1.00 0.00 H new ATOM 0 HG3 GLN A 107 -9.390 -2.221 5.809 1.00 0.00 H new ATOM 0 HE21 GLN A 107 -9.477 -2.225 8.214 1.00 0.00 H new ATOM 0 HE22 GLN A 107 -10.002 -3.704 9.024 1.00 0.00 H new ATOM 1702 N SER A 108 -7.046 -5.852 2.526 1.00 0.00 N ATOM 1703 CA SER A 108 -6.944 -7.164 1.910 1.00 0.00 C ATOM 1704 C SER A 108 -5.524 -7.710 2.076 1.00 0.00 C ATOM 1705 O SER A 108 -5.259 -8.867 1.755 1.00 0.00 O ATOM 1706 CB SER A 108 -7.321 -7.108 0.429 1.00 0.00 C ATOM 1707 OG SER A 108 -8.029 -8.272 0.014 1.00 0.00 O ATOM 0 H SER A 108 -7.046 -5.072 1.869 1.00 0.00 H new ATOM 0 HA SER A 108 -7.645 -7.832 2.410 1.00 0.00 H new ATOM 0 HB2 SER A 108 -7.934 -6.226 0.244 1.00 0.00 H new ATOM 0 HB3 SER A 108 -6.418 -7.000 -0.171 1.00 0.00 H new ATOM 0 HG SER A 108 -8.253 -8.197 -0.937 1.00 0.00 H new ATOM 1713 N CYS A 109 -4.648 -6.851 2.577 1.00 0.00 N ATOM 1714 CA CYS A 109 -3.263 -7.233 2.789 1.00 0.00 C ATOM 1715 C CYS A 109 -2.750 -6.509 4.035 1.00 0.00 C ATOM 1716 O CYS A 109 -1.930 -5.597 3.934 1.00 0.00 O ATOM 1717 CB CYS A 109 -2.400 -6.936 1.560 1.00 0.00 C ATOM 1718 SG CYS A 109 -1.525 -8.453 1.029 1.00 0.00 S ATOM 0 H CYS A 109 -4.871 -5.892 2.842 1.00 0.00 H new ATOM 0 HA CYS A 109 -3.200 -8.310 2.944 1.00 0.00 H new ATOM 0 HB2 CYS A 109 -3.025 -6.563 0.748 1.00 0.00 H new ATOM 0 HB3 CYS A 109 -1.679 -6.153 1.793 1.00 0.00 H new ATOM 0 HG CYS A 109 -1.151 -8.327 -0.210 1.00 0.00 H new ATOM 1724 N LEU A 110 -3.254 -6.941 5.181 1.00 0.00 N ATOM 1725 CA LEU A 110 -2.857 -6.345 6.446 1.00 0.00 C ATOM 1726 C LEU A 110 -1.693 -7.143 7.037 1.00 0.00 C ATOM 1727 O LEU A 110 -0.574 -7.084 6.529 1.00 0.00 O ATOM 1728 CB LEU A 110 -4.061 -6.227 7.383 1.00 0.00 C ATOM 1729 CG LEU A 110 -5.183 -5.296 6.919 1.00 0.00 C ATOM 1730 CD1 LEU A 110 -6.312 -5.242 7.950 1.00 0.00 C ATOM 1731 CD2 LEU A 110 -4.640 -3.904 6.590 1.00 0.00 C ATOM 0 H LEU A 110 -3.934 -7.697 5.261 1.00 0.00 H new ATOM 0 HA LEU A 110 -2.500 -5.326 6.293 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -4.480 -7.222 7.531 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -3.708 -5.882 8.355 1.00 0.00 H new ATOM 0 HG LEU A 110 -5.605 -5.702 6.000 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -7.097 -4.573 7.596 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -6.723 -6.241 8.092 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -5.921 -4.873 8.898 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -5.458 -3.262 6.263 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -4.175 -3.475 7.478 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -3.899 -3.981 5.794 1.00 0.00 H new ATOM 1743 N SER A 111 -1.997 -7.870 8.103 1.00 0.00 N ATOM 1744 CA SER A 111 -0.990 -8.678 8.769 1.00 0.00 C ATOM 1745 C SER A 111 -0.665 -9.911 7.923 1.00 0.00 C ATOM 1746 O SER A 111 -1.519 -10.772 7.721 1.00 0.00 O ATOM 1747 CB SER A 111 -1.456 -9.099 10.164 1.00 0.00 C ATOM 1748 OG SER A 111 -2.422 -10.145 10.111 1.00 0.00 O ATOM 0 H SER A 111 -2.926 -7.916 8.521 1.00 0.00 H new ATOM 0 HA SER A 111 -0.089 -8.076 8.883 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.597 -9.428 10.749 1.00 0.00 H new ATOM 0 HB3 SER A 111 -1.882 -8.238 10.679 1.00 0.00 H new ATOM 0 HG SER A 111 -2.487 -10.484 9.194 1.00 0.00 H new ATOM 1754 N SER A 112 0.573 -9.956 7.452 1.00 0.00 N ATOM 1755 CA SER A 112 1.022 -11.069 6.633 1.00 0.00 C ATOM 1756 C SER A 112 0.569 -12.392 7.254 1.00 0.00 C ATOM 1757 O SER A 112 -0.205 -13.133 6.650 1.00 0.00 O ATOM 1758 CB SER A 112 2.543 -11.054 6.467 1.00 0.00 C ATOM 1759 OG SER A 112 2.933 -10.661 5.155 1.00 0.00 O ATOM 0 H SER A 112 1.279 -9.240 7.622 1.00 0.00 H new ATOM 0 HA SER A 112 0.575 -10.967 5.644 1.00 0.00 H new ATOM 0 HB2 SER A 112 2.980 -10.371 7.195 1.00 0.00 H new ATOM 0 HB3 SER A 112 2.941 -12.046 6.682 1.00 0.00 H new ATOM 0 HG SER A 112 3.911 -10.662 5.090 1.00 0.00 H new ATOM 1765 N GLY A 113 1.070 -12.648 8.453 1.00 0.00 N ATOM 1766 CA GLY A 113 0.727 -13.869 9.163 1.00 0.00 C ATOM 1767 C GLY A 113 0.176 -13.557 10.556 1.00 0.00 C ATOM 1768 O GLY A 113 0.282 -12.427 11.030 1.00 0.00 O ATOM 0 H GLY A 113 1.711 -12.031 8.951 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -0.013 -14.430 8.592 1.00 0.00 H new ATOM 0 HA3 GLY A 113 1.609 -14.503 9.251 1.00 0.00 H new ATOM 1772 N PRO A 114 -0.415 -14.605 11.188 1.00 0.00 N ATOM 1773 CA PRO A 114 -0.982 -14.455 12.517 1.00 0.00 C ATOM 1774 C PRO A 114 0.117 -14.390 13.579 1.00 0.00 C ATOM 1775 O PRO A 114 0.180 -13.438 14.356 1.00 0.00 O ATOM 1776 CB PRO A 114 -1.904 -15.651 12.690 1.00 0.00 C ATOM 1777 CG PRO A 114 -1.468 -16.667 11.647 1.00 0.00 C ATOM 1778 CD PRO A 114 -0.558 -15.958 10.657 1.00 0.00 C ATOM 0 HA PRO A 114 -1.534 -13.523 12.634 1.00 0.00 H new ATOM 0 HB2 PRO A 114 -1.823 -16.064 13.695 1.00 0.00 H new ATOM 0 HB3 PRO A 114 -2.946 -15.365 12.545 1.00 0.00 H new ATOM 0 HG2 PRO A 114 -0.944 -17.498 12.119 1.00 0.00 H new ATOM 0 HG3 PRO A 114 -2.335 -17.086 11.136 1.00 0.00 H new ATOM 0 HD2 PRO A 114 0.408 -16.457 10.579 1.00 0.00 H new ATOM 0 HD3 PRO A 114 -0.992 -15.947 9.657 1.00 0.00 H new ATOM 1786 N SER A 115 0.958 -15.414 13.578 1.00 0.00 N ATOM 1787 CA SER A 115 2.052 -15.486 14.531 1.00 0.00 C ATOM 1788 C SER A 115 1.516 -15.327 15.956 1.00 0.00 C ATOM 1789 O SER A 115 1.216 -14.216 16.390 1.00 0.00 O ATOM 1790 CB SER A 115 3.107 -14.417 14.240 1.00 0.00 C ATOM 1791 OG SER A 115 4.060 -14.857 13.276 1.00 0.00 O ATOM 0 H SER A 115 0.903 -16.201 12.932 1.00 0.00 H new ATOM 0 HA SER A 115 2.526 -16.463 14.434 1.00 0.00 H new ATOM 0 HB2 SER A 115 2.617 -13.513 13.879 1.00 0.00 H new ATOM 0 HB3 SER A 115 3.621 -14.154 15.164 1.00 0.00 H new ATOM 0 HG SER A 115 4.716 -14.146 13.116 1.00 0.00 H new ATOM 1797 N SER A 116 1.412 -16.455 16.644 1.00 0.00 N ATOM 1798 CA SER A 116 0.918 -16.455 18.010 1.00 0.00 C ATOM 1799 C SER A 116 0.911 -17.882 18.564 1.00 0.00 C ATOM 1800 O SER A 116 0.348 -18.787 17.951 1.00 0.00 O ATOM 1801 CB SER A 116 -0.484 -15.849 18.088 1.00 0.00 C ATOM 1802 OG SER A 116 -0.449 -14.459 18.400 1.00 0.00 O ATOM 0 H SER A 116 1.662 -17.375 16.281 1.00 0.00 H new ATOM 0 HA SER A 116 1.585 -15.840 18.615 1.00 0.00 H new ATOM 0 HB2 SER A 116 -0.995 -15.994 17.136 1.00 0.00 H new ATOM 0 HB3 SER A 116 -1.065 -16.376 18.845 1.00 0.00 H new ATOM 0 HG SER A 116 0.209 -14.012 17.828 1.00 0.00 H new ATOM 1808 N GLY A 117 1.545 -18.038 19.717 1.00 0.00 N ATOM 1809 CA GLY A 117 1.619 -19.338 20.360 1.00 0.00 C ATOM 1810 C GLY A 117 2.510 -20.294 19.563 1.00 0.00 C ATOM 1811 O GLY A 117 2.031 -21.290 19.024 1.00 0.00 O ATOM 0 H GLY A 117 2.012 -17.285 20.222 1.00 0.00 H new ATOM 0 HA2 GLY A 117 2.012 -19.226 21.370 1.00 0.00 H new ATOM 0 HA3 GLY A 117 0.618 -19.760 20.452 1.00 0.00 H new TER 1815 GLY A 117