USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=16 USER MOD reduce.3.24.130724 removed 944 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 83 HIS : no HD1:sc= -0.0329 X(o=-1.6,f=-1.5) USER MOD Set 1.2: A 85 MET CE :methyl -154:sc= -1.53 (180deg=-1.87) USER MOD Set 2.1: A 48 THR OG1 : rot 170:sc= 1.24 USER MOD Set 2.2: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 11 SER OG : rot 45:sc= 0.908 USER MOD Single : A 15 ASN : amide:sc= 0 K(o=0,f=-1.3) USER MOD Single : A 19 TYR OH : rot -171:sc= 0.993 USER MOD Single : A 21 THR OG1 : rot 89:sc= 1.12 USER MOD Single : A 24 ASN : amide:sc= 0.469 K(o=0.47,f=-4.3!) USER MOD Single : A 37 THR OG1 : rot 81:sc= 1.09 USER MOD Single : A 46 HIS : no HD1:sc= -0.601 K(o=-0.6,f=-4.3!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -130:sc= -0.0729 (180deg=-0.832!) USER MOD Single : A 57 LYS NZ :NH3+ -153:sc= -0.691 (180deg=-1.12) USER MOD Single : A 59 MET CE :methyl -135:sc= 0 (180deg=-0.0803) USER MOD Single : A 72 LYS NZ :NH3+ -121:sc= -0.188! (180deg=-0.442!) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 1.17 (180deg=1.1) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -143:sc= 0.089 (180deg=-1.24!) USER MOD Single : A 94 LYS NZ :NH3+ -150:sc= 0.942 (180deg=-0.0152) USER MOD Single : A 109 LYS NZ :NH3+ -140:sc= 1.27 (180deg=1.07) USER MOD Single : A 112 LYS NZ :NH3+ 170:sc= 1.88 (180deg=1.63) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 12.298 -1.709 -1.338 1.00 2.42 N ATOM 56 CA GLU A 5 11.590 -2.996 -1.443 1.00 1.38 C ATOM 57 C GLU A 5 10.200 -2.873 -0.768 1.00 1.17 C ATOM 58 O GLU A 5 9.840 -1.786 -0.311 1.00 1.49 O ATOM 59 CB GLU A 5 12.470 -4.091 -0.799 1.00 1.89 C ATOM 60 CG GLU A 5 13.726 -4.462 -1.627 1.00 3.08 C ATOM 61 CD GLU A 5 14.853 -5.056 -0.774 1.00 4.23 C ATOM 62 OE1 GLU A 5 14.568 -5.582 0.319 1.00 4.90 O ATOM 63 OE2 GLU A 5 16.052 -4.824 -1.056 1.00 5.21 O ATOM 0 HA GLU A 5 11.417 -3.272 -2.483 1.00 1.38 H new ATOM 0 HB2 GLU A 5 12.786 -3.754 0.188 1.00 1.89 H new ATOM 0 HB3 GLU A 5 11.867 -4.987 -0.653 1.00 1.89 H new ATOM 0 HG2 GLU A 5 13.446 -5.179 -2.399 1.00 3.08 H new ATOM 0 HG3 GLU A 5 14.094 -3.572 -2.137 1.00 3.08 H new ATOM 70 N GLY A 6 9.376 -3.933 -0.724 1.00 1.04 N ATOM 71 CA GLY A 6 8.050 -3.896 -0.080 1.00 0.98 C ATOM 72 C GLY A 6 7.825 -5.036 0.907 1.00 0.96 C ATOM 73 O GLY A 6 8.573 -6.005 0.888 1.00 1.11 O ATOM 0 H GLY A 6 9.608 -4.838 -1.132 1.00 1.04 H new ATOM 0 HA2 GLY A 6 7.934 -2.946 0.441 1.00 0.98 H new ATOM 0 HA3 GLY A 6 7.279 -3.934 -0.850 1.00 0.98 H new ATOM 77 N TRP A 7 6.786 -4.913 1.741 1.00 0.90 N ATOM 78 CA TRP A 7 6.416 -5.886 2.783 1.00 0.87 C ATOM 79 C TRP A 7 5.009 -5.613 3.347 1.00 0.84 C ATOM 80 O TRP A 7 4.465 -4.519 3.198 1.00 0.91 O ATOM 81 CB TRP A 7 7.465 -5.914 3.914 1.00 1.00 C ATOM 82 CG TRP A 7 7.529 -4.700 4.792 1.00 1.11 C ATOM 83 CD1 TRP A 7 6.883 -4.553 5.972 1.00 1.18 C ATOM 84 CD2 TRP A 7 8.287 -3.465 4.599 1.00 1.24 C ATOM 85 NE1 TRP A 7 7.167 -3.315 6.513 1.00 1.33 N ATOM 86 CE2 TRP A 7 8.027 -2.598 5.706 1.00 1.38 C ATOM 87 CE3 TRP A 7 9.158 -2.982 3.597 1.00 1.33 C ATOM 88 CZ2 TRP A 7 8.593 -1.318 5.803 1.00 1.58 C ATOM 89 CZ3 TRP A 7 9.722 -1.695 3.679 1.00 1.55 C ATOM 90 CH2 TRP A 7 9.444 -0.862 4.779 1.00 1.67 C ATOM 0 H TRP A 7 6.158 -4.110 1.711 1.00 0.90 H new ATOM 0 HA TRP A 7 6.395 -6.869 2.313 1.00 0.87 H new ATOM 0 HB2 TRP A 7 7.266 -6.781 4.544 1.00 1.00 H new ATOM 0 HB3 TRP A 7 8.447 -6.064 3.466 1.00 1.00 H new ATOM 0 HD1 TRP A 7 6.240 -5.294 6.424 1.00 1.18 H new ATOM 0 HE1 TRP A 7 6.789 -2.974 7.397 1.00 1.33 H new ATOM 0 HE3 TRP A 7 9.395 -3.612 2.752 1.00 1.33 H new ATOM 0 HZ2 TRP A 7 8.378 -0.689 6.654 1.00 1.58 H new ATOM 0 HZ3 TRP A 7 10.373 -1.344 2.892 1.00 1.55 H new ATOM 0 HH2 TRP A 7 9.882 0.123 4.837 1.00 1.67 H new ATOM 101 N VAL A 8 4.417 -6.594 4.033 1.00 0.92 N ATOM 102 CA VAL A 8 3.042 -6.503 4.567 1.00 0.95 C ATOM 103 C VAL A 8 3.023 -6.838 6.057 1.00 0.88 C ATOM 104 O VAL A 8 3.685 -7.784 6.484 1.00 0.88 O ATOM 105 CB VAL A 8 2.072 -7.409 3.774 1.00 1.05 C ATOM 106 CG1 VAL A 8 0.634 -7.268 4.307 1.00 1.21 C ATOM 107 CG2 VAL A 8 2.111 -7.034 2.281 1.00 1.16 C ATOM 0 H VAL A 8 4.875 -7.482 4.239 1.00 0.92 H new ATOM 0 HA VAL A 8 2.698 -5.476 4.447 1.00 0.95 H new ATOM 0 HB VAL A 8 2.388 -8.445 3.898 1.00 1.05 H new ATOM 0 HG11 VAL A 8 -0.031 -7.914 3.734 1.00 1.21 H new ATOM 0 HG12 VAL A 8 0.605 -7.557 5.358 1.00 1.21 H new ATOM 0 HG13 VAL A 8 0.309 -6.233 4.207 1.00 1.21 H new ATOM 0 HG21 VAL A 8 1.426 -7.675 1.727 1.00 1.16 H new ATOM 0 HG22 VAL A 8 1.812 -5.993 2.159 1.00 1.16 H new ATOM 0 HG23 VAL A 8 3.123 -7.168 1.899 1.00 1.16 H new ATOM 117 N ARG A 9 2.296 -6.040 6.854 1.00 0.89 N ATOM 118 CA ARG A 9 2.370 -6.122 8.316 1.00 0.86 C ATOM 119 C ARG A 9 1.383 -7.127 8.926 1.00 1.04 C ATOM 120 O ARG A 9 0.175 -7.092 8.692 1.00 1.67 O ATOM 121 CB ARG A 9 2.301 -4.734 8.965 1.00 1.08 C ATOM 122 CG ARG A 9 0.887 -4.182 9.204 1.00 1.84 C ATOM 123 CD ARG A 9 0.914 -2.667 9.411 1.00 2.61 C ATOM 124 NE ARG A 9 1.696 -2.312 10.597 1.00 2.75 N ATOM 125 CZ ARG A 9 1.439 -1.409 11.525 1.00 3.60 C ATOM 126 NH1 ARG A 9 0.419 -0.580 11.456 1.00 4.57 N ATOM 127 NH2 ARG A 9 2.256 -1.368 12.546 1.00 4.13 N ATOM 0 H ARG A 9 1.650 -5.331 6.507 1.00 0.89 H new ATOM 0 HA ARG A 9 3.353 -6.530 8.551 1.00 0.86 H new ATOM 0 HB2 ARG A 9 2.823 -4.774 9.921 1.00 1.08 H new ATOM 0 HB3 ARG A 9 2.844 -4.030 8.334 1.00 1.08 H new ATOM 0 HG2 ARG A 9 0.250 -4.424 8.353 1.00 1.84 H new ATOM 0 HG3 ARG A 9 0.448 -4.664 10.078 1.00 1.84 H new ATOM 0 HD2 ARG A 9 1.341 -2.184 8.532 1.00 2.61 H new ATOM 0 HD3 ARG A 9 -0.104 -2.293 9.517 1.00 2.61 H new ATOM 0 HE ARG A 9 2.562 -2.837 10.724 1.00 2.75 H new ATOM 0 HH11 ARG A 9 -0.216 -0.618 10.659 1.00 4.57 H new ATOM 0 HH12 ARG A 9 0.263 0.100 12.200 1.00 4.57 H new ATOM 0 HH21 ARG A 9 3.044 -2.014 12.595 1.00 4.13 H new ATOM 0 HH22 ARG A 9 2.105 -0.690 13.293 1.00 4.13 H new ATOM 141 N PHE A 10 1.927 -7.990 9.780 1.00 1.07 N ATOM 142 CA PHE A 10 1.231 -8.978 10.595 1.00 1.13 C ATOM 143 C PHE A 10 0.599 -8.365 11.851 1.00 1.17 C ATOM 144 O PHE A 10 1.188 -7.533 12.538 1.00 1.50 O ATOM 145 CB PHE A 10 2.241 -10.094 10.938 1.00 1.30 C ATOM 146 CG PHE A 10 1.878 -11.020 12.085 1.00 1.43 C ATOM 147 CD1 PHE A 10 0.626 -11.659 12.137 1.00 2.75 C ATOM 148 CD2 PHE A 10 2.814 -11.251 13.112 1.00 1.98 C ATOM 149 CE1 PHE A 10 0.294 -12.479 13.228 1.00 2.93 C ATOM 150 CE2 PHE A 10 2.494 -12.100 14.186 1.00 2.08 C ATOM 151 CZ PHE A 10 1.226 -12.701 14.255 1.00 1.86 C ATOM 0 H PHE A 10 2.936 -8.018 9.930 1.00 1.07 H new ATOM 0 HA PHE A 10 0.393 -9.391 10.034 1.00 1.13 H new ATOM 0 HB2 PHE A 10 2.391 -10.702 10.046 1.00 1.30 H new ATOM 0 HB3 PHE A 10 3.198 -9.626 11.169 1.00 1.30 H new ATOM 0 HD1 PHE A 10 -0.083 -11.519 11.335 1.00 2.75 H new ATOM 0 HD2 PHE A 10 3.782 -10.774 13.074 1.00 1.98 H new ATOM 0 HE1 PHE A 10 -0.681 -12.940 13.277 1.00 2.93 H new ATOM 0 HE2 PHE A 10 3.224 -12.290 14.959 1.00 2.08 H new ATOM 0 HZ PHE A 10 0.969 -13.331 15.094 1.00 1.86 H new ATOM 161 N SER A 11 -0.597 -8.844 12.196 1.00 1.09 N ATOM 162 CA SER A 11 -1.246 -8.641 13.484 1.00 1.24 C ATOM 163 C SER A 11 -2.384 -9.659 13.694 1.00 1.29 C ATOM 164 O SER A 11 -2.970 -10.130 12.711 1.00 1.36 O ATOM 165 CB SER A 11 -1.782 -7.210 13.557 1.00 1.61 C ATOM 166 OG SER A 11 -0.792 -6.358 14.097 1.00 2.29 O ATOM 0 H SER A 11 -1.159 -9.406 11.557 1.00 1.09 H new ATOM 0 HA SER A 11 -0.516 -8.795 14.279 1.00 1.24 H new ATOM 0 HB2 SER A 11 -2.068 -6.867 12.563 1.00 1.61 H new ATOM 0 HB3 SER A 11 -2.679 -7.178 14.175 1.00 1.61 H new ATOM 0 HG SER A 11 0.073 -6.558 13.683 1.00 2.29 H new ATOM 172 N PRO A 12 -2.709 -10.014 14.954 1.00 1.45 N ATOM 173 CA PRO A 12 -3.852 -10.850 15.310 1.00 1.67 C ATOM 174 C PRO A 12 -5.114 -9.975 15.445 1.00 1.69 C ATOM 175 O PRO A 12 -5.730 -9.914 16.508 1.00 2.44 O ATOM 176 CB PRO A 12 -3.424 -11.527 16.619 1.00 1.95 C ATOM 177 CG PRO A 12 -2.627 -10.422 17.315 1.00 1.92 C ATOM 178 CD PRO A 12 -1.931 -9.710 16.153 1.00 1.62 C ATOM 0 HA PRO A 12 -4.113 -11.600 14.563 1.00 1.67 H new ATOM 0 HB2 PRO A 12 -4.282 -11.844 17.212 1.00 1.95 H new ATOM 0 HB3 PRO A 12 -2.816 -12.414 16.438 1.00 1.95 H new ATOM 0 HG2 PRO A 12 -3.277 -9.746 17.871 1.00 1.92 H new ATOM 0 HG3 PRO A 12 -1.909 -10.830 18.026 1.00 1.92 H new ATOM 0 HD2 PRO A 12 -1.889 -8.635 16.326 1.00 1.62 H new ATOM 0 HD3 PRO A 12 -0.903 -10.056 16.046 1.00 1.62 H new ATOM 186 N GLY A 13 -5.453 -9.236 14.379 1.00 1.24 N ATOM 187 CA GLY A 13 -6.516 -8.223 14.369 1.00 1.30 C ATOM 188 C GLY A 13 -7.565 -8.426 13.264 1.00 1.12 C ATOM 189 O GLY A 13 -7.407 -9.303 12.417 1.00 1.29 O ATOM 0 H GLY A 13 -4.984 -9.329 13.478 1.00 1.24 H new ATOM 0 HA2 GLY A 13 -7.017 -8.228 15.337 1.00 1.30 H new ATOM 0 HA3 GLY A 13 -6.064 -7.238 14.250 1.00 1.30 H new ATOM 193 N PRO A 14 -8.634 -7.603 13.248 1.00 1.15 N ATOM 194 CA PRO A 14 -9.641 -7.592 12.184 1.00 1.24 C ATOM 195 C PRO A 14 -9.169 -6.828 10.931 1.00 0.95 C ATOM 196 O PRO A 14 -9.777 -6.963 9.866 1.00 1.12 O ATOM 197 CB PRO A 14 -10.852 -6.901 12.820 1.00 1.57 C ATOM 198 CG PRO A 14 -10.212 -5.883 13.763 1.00 1.59 C ATOM 199 CD PRO A 14 -8.960 -6.607 14.263 1.00 1.45 C ATOM 0 HA PRO A 14 -9.859 -8.600 11.831 1.00 1.24 H new ATOM 0 HB2 PRO A 14 -11.480 -6.418 12.071 1.00 1.57 H new ATOM 0 HB3 PRO A 14 -11.483 -7.608 13.358 1.00 1.57 H new ATOM 0 HG2 PRO A 14 -9.962 -4.957 13.246 1.00 1.59 H new ATOM 0 HG3 PRO A 14 -10.879 -5.619 14.584 1.00 1.59 H new ATOM 0 HD2 PRO A 14 -8.135 -5.908 14.402 1.00 1.45 H new ATOM 0 HD3 PRO A 14 -9.143 -7.080 15.228 1.00 1.45 H new ATOM 207 N ASN A 15 -8.099 -6.031 11.061 1.00 0.70 N ATOM 208 CA ASN A 15 -7.531 -5.167 10.032 1.00 0.59 C ATOM 209 C ASN A 15 -5.991 -5.109 10.117 1.00 0.64 C ATOM 210 O ASN A 15 -5.396 -5.312 11.176 1.00 0.82 O ATOM 211 CB ASN A 15 -8.166 -3.768 10.116 1.00 0.79 C ATOM 212 CG ASN A 15 -7.796 -2.940 11.343 1.00 1.32 C ATOM 213 OD1 ASN A 15 -7.664 -3.433 12.452 1.00 2.03 O ATOM 214 ND2 ASN A 15 -7.656 -1.637 11.181 1.00 1.90 N ATOM 0 H ASN A 15 -7.582 -5.973 11.939 1.00 0.70 H new ATOM 0 HA ASN A 15 -7.765 -5.592 9.056 1.00 0.59 H new ATOM 0 HB2 ASN A 15 -7.883 -3.208 9.225 1.00 0.79 H new ATOM 0 HB3 ASN A 15 -9.250 -3.880 10.091 1.00 0.79 H new ATOM 0 HD21 ASN A 15 -7.438 -1.044 11.982 1.00 1.90 H new ATOM 0 HD22 ASN A 15 -7.766 -1.223 10.255 1.00 1.90 H new ATOM 221 N ALA A 16 -5.343 -4.821 8.987 1.00 0.62 N ATOM 222 CA ALA A 16 -3.890 -4.665 8.848 1.00 0.79 C ATOM 223 C ALA A 16 -3.550 -3.771 7.640 1.00 0.69 C ATOM 224 O ALA A 16 -4.459 -3.293 6.955 1.00 0.69 O ATOM 225 CB ALA A 16 -3.226 -6.052 8.780 1.00 1.09 C ATOM 0 H ALA A 16 -5.836 -4.684 8.104 1.00 0.62 H new ATOM 0 HA ALA A 16 -3.487 -4.155 9.723 1.00 0.79 H new ATOM 0 HB1 ALA A 16 -2.147 -5.934 8.677 1.00 1.09 H new ATOM 0 HB2 ALA A 16 -3.445 -6.605 9.693 1.00 1.09 H new ATOM 0 HB3 ALA A 16 -3.615 -6.600 7.922 1.00 1.09 H new ATOM 231 N ALA A 17 -2.254 -3.538 7.382 1.00 0.93 N ATOM 232 CA ALA A 17 -1.790 -2.663 6.303 1.00 0.89 C ATOM 233 C ALA A 17 -0.697 -3.301 5.436 1.00 0.86 C ATOM 234 O ALA A 17 0.221 -3.934 5.962 1.00 1.13 O ATOM 235 CB ALA A 17 -1.292 -1.332 6.883 1.00 1.12 C ATOM 0 H ALA A 17 -1.496 -3.956 7.922 1.00 0.93 H new ATOM 0 HA ALA A 17 -2.646 -2.489 5.650 1.00 0.89 H new ATOM 0 HB1 ALA A 17 -0.949 -0.688 6.073 1.00 1.12 H new ATOM 0 HB2 ALA A 17 -2.105 -0.841 7.418 1.00 1.12 H new ATOM 0 HB3 ALA A 17 -0.468 -1.521 7.571 1.00 1.12 H new ATOM 241 N ALA A 18 -0.754 -3.077 4.122 1.00 0.85 N ATOM 242 CA ALA A 18 0.319 -3.457 3.201 1.00 0.85 C ATOM 243 C ALA A 18 1.110 -2.225 2.751 1.00 0.70 C ATOM 244 O ALA A 18 0.522 -1.170 2.494 1.00 0.75 O ATOM 245 CB ALA A 18 -0.265 -4.231 2.010 1.00 0.99 C ATOM 0 H ALA A 18 -1.547 -2.626 3.666 1.00 0.85 H new ATOM 0 HA ALA A 18 1.019 -4.114 3.718 1.00 0.85 H new ATOM 0 HB1 ALA A 18 0.538 -4.511 1.329 1.00 0.99 H new ATOM 0 HB2 ALA A 18 -0.765 -5.130 2.370 1.00 0.99 H new ATOM 0 HB3 ALA A 18 -0.984 -3.602 1.485 1.00 0.99 H new ATOM 251 N TYR A 19 2.428 -2.383 2.625 1.00 0.66 N ATOM 252 CA TYR A 19 3.363 -1.398 2.079 1.00 0.73 C ATOM 253 C TYR A 19 4.038 -1.955 0.815 1.00 0.87 C ATOM 254 O TYR A 19 4.191 -3.169 0.684 1.00 1.04 O ATOM 255 CB TYR A 19 4.470 -1.122 3.109 1.00 0.76 C ATOM 256 CG TYR A 19 4.044 -0.991 4.558 1.00 0.72 C ATOM 257 CD1 TYR A 19 3.320 0.124 5.021 1.00 2.01 C ATOM 258 CD2 TYR A 19 4.442 -1.990 5.461 1.00 1.93 C ATOM 259 CE1 TYR A 19 3.049 0.257 6.401 1.00 2.01 C ATOM 260 CE2 TYR A 19 4.208 -1.848 6.835 1.00 2.05 C ATOM 261 CZ TYR A 19 3.540 -0.706 7.317 1.00 0.98 C ATOM 262 OH TYR A 19 3.409 -0.531 8.662 1.00 1.27 O ATOM 0 H TYR A 19 2.895 -3.242 2.915 1.00 0.66 H new ATOM 0 HA TYR A 19 2.810 -0.489 1.844 1.00 0.73 H new ATOM 0 HB2 TYR A 19 5.203 -1.926 3.043 1.00 0.76 H new ATOM 0 HB3 TYR A 19 4.979 -0.202 2.821 1.00 0.76 H new ATOM 0 HD1 TYR A 19 2.974 0.874 4.325 1.00 2.01 H new ATOM 0 HD2 TYR A 19 4.934 -2.878 5.092 1.00 1.93 H new ATOM 0 HE1 TYR A 19 2.467 1.094 6.758 1.00 2.01 H new ATOM 0 HE2 TYR A 19 4.539 -2.612 7.523 1.00 2.05 H new ATOM 0 HH TYR A 19 3.932 -1.213 9.133 1.00 1.27 H new ATOM 272 N LEU A 20 4.547 -1.083 -0.066 1.00 0.83 N ATOM 273 CA LEU A 20 5.452 -1.493 -1.151 1.00 0.84 C ATOM 274 C LEU A 20 6.165 -0.345 -1.866 1.00 0.85 C ATOM 275 O LEU A 20 5.597 0.719 -2.097 1.00 0.92 O ATOM 276 CB LEU A 20 4.804 -2.436 -2.199 1.00 0.87 C ATOM 277 CG LEU A 20 3.689 -1.833 -3.080 1.00 0.95 C ATOM 278 CD1 LEU A 20 3.519 -2.681 -4.345 1.00 1.29 C ATOM 279 CD2 LEU A 20 2.334 -1.762 -2.361 1.00 1.22 C ATOM 0 H LEU A 20 4.346 -0.083 -0.049 1.00 0.83 H new ATOM 0 HA LEU A 20 6.210 -2.058 -0.608 1.00 0.84 H new ATOM 0 HB2 LEU A 20 5.591 -2.808 -2.854 1.00 0.87 H new ATOM 0 HB3 LEU A 20 4.393 -3.298 -1.673 1.00 0.87 H new ATOM 0 HG LEU A 20 3.996 -0.816 -3.322 1.00 0.95 H new ATOM 0 HD11 LEU A 20 2.731 -2.254 -4.966 1.00 1.29 H new ATOM 0 HD12 LEU A 20 4.455 -2.693 -4.903 1.00 1.29 H new ATOM 0 HD13 LEU A 20 3.249 -3.700 -4.067 1.00 1.29 H new ATOM 0 HD21 LEU A 20 1.590 -1.330 -3.030 1.00 1.22 H new ATOM 0 HD22 LEU A 20 2.023 -2.766 -2.072 1.00 1.22 H new ATOM 0 HD23 LEU A 20 2.427 -1.140 -1.471 1.00 1.22 H new ATOM 291 N THR A 21 7.382 -0.646 -2.319 1.00 0.91 N ATOM 292 CA THR A 21 8.047 0.075 -3.407 1.00 0.89 C ATOM 293 C THR A 21 7.439 -0.339 -4.743 1.00 0.87 C ATOM 294 O THR A 21 7.206 -1.526 -4.960 1.00 1.02 O ATOM 295 CB THR A 21 9.543 -0.243 -3.404 1.00 1.00 C ATOM 296 OG1 THR A 21 10.097 0.242 -2.206 1.00 1.19 O ATOM 297 CG2 THR A 21 10.231 0.444 -4.578 1.00 1.23 C ATOM 0 H THR A 21 7.942 -1.408 -1.936 1.00 0.91 H new ATOM 0 HA THR A 21 7.909 1.146 -3.262 1.00 0.89 H new ATOM 0 HB THR A 21 9.686 -1.320 -3.490 1.00 1.00 H new ATOM 0 HG1 THR A 21 10.039 -0.450 -1.515 1.00 1.19 H new ATOM 0 HG21 THR A 21 11.295 0.209 -4.564 1.00 1.23 H new ATOM 0 HG22 THR A 21 9.794 0.092 -5.512 1.00 1.23 H new ATOM 0 HG23 THR A 21 10.096 1.523 -4.498 1.00 1.23 H new ATOM 305 N LEU A 22 7.256 0.617 -5.658 1.00 1.01 N ATOM 306 CA LEU A 22 6.909 0.374 -7.057 1.00 1.17 C ATOM 307 C LEU A 22 7.527 1.478 -7.926 1.00 0.95 C ATOM 308 O LEU A 22 7.376 2.669 -7.641 1.00 1.07 O ATOM 309 CB LEU A 22 5.370 0.286 -7.162 1.00 1.57 C ATOM 310 CG LEU A 22 4.741 -0.113 -8.513 1.00 1.96 C ATOM 311 CD1 LEU A 22 4.698 1.052 -9.509 1.00 2.39 C ATOM 312 CD2 LEU A 22 5.410 -1.343 -9.142 1.00 2.98 C ATOM 0 H LEU A 22 7.348 1.609 -5.438 1.00 1.01 H new ATOM 0 HA LEU A 22 7.314 -0.569 -7.425 1.00 1.17 H new ATOM 0 HB2 LEU A 22 5.028 -0.430 -6.414 1.00 1.57 H new ATOM 0 HB3 LEU A 22 4.964 1.258 -6.882 1.00 1.57 H new ATOM 0 HG LEU A 22 3.712 -0.387 -8.281 1.00 1.96 H new ATOM 0 HD11 LEU A 22 4.246 0.716 -10.442 1.00 2.39 H new ATOM 0 HD12 LEU A 22 4.106 1.866 -9.091 1.00 2.39 H new ATOM 0 HD13 LEU A 22 5.712 1.403 -9.702 1.00 2.39 H new ATOM 0 HD21 LEU A 22 4.925 -1.576 -10.090 1.00 2.98 H new ATOM 0 HD22 LEU A 22 6.466 -1.134 -9.316 1.00 2.98 H new ATOM 0 HD23 LEU A 22 5.315 -2.194 -8.467 1.00 2.98 H new ATOM 324 N GLU A 23 8.215 1.094 -8.999 1.00 1.10 N ATOM 325 CA GLU A 23 8.785 2.045 -9.948 1.00 1.08 C ATOM 326 C GLU A 23 8.572 1.617 -11.391 1.00 1.26 C ATOM 327 O GLU A 23 8.384 0.444 -11.707 1.00 1.68 O ATOM 328 CB GLU A 23 10.248 2.378 -9.623 1.00 1.84 C ATOM 329 CG GLU A 23 11.296 1.281 -9.833 1.00 2.59 C ATOM 330 CD GLU A 23 12.695 1.810 -9.488 1.00 3.60 C ATOM 331 OE1 GLU A 23 12.815 2.579 -8.503 1.00 4.53 O ATOM 332 OE2 GLU A 23 13.651 1.448 -10.201 1.00 4.04 O ATOM 0 H GLU A 23 8.392 0.117 -9.234 1.00 1.10 H new ATOM 0 HA GLU A 23 8.234 2.979 -9.834 1.00 1.08 H new ATOM 0 HB2 GLU A 23 10.538 3.237 -10.228 1.00 1.84 H new ATOM 0 HB3 GLU A 23 10.296 2.691 -8.580 1.00 1.84 H new ATOM 0 HG2 GLU A 23 11.061 0.419 -9.208 1.00 2.59 H new ATOM 0 HG3 GLU A 23 11.273 0.940 -10.868 1.00 2.59 H new ATOM 339 N ASN A 24 8.528 2.619 -12.264 1.00 1.13 N ATOM 340 CA ASN A 24 8.119 2.499 -13.650 1.00 1.15 C ATOM 341 C ASN A 24 9.344 2.537 -14.579 1.00 1.16 C ATOM 342 O ASN A 24 9.863 3.623 -14.840 1.00 1.14 O ATOM 343 CB ASN A 24 7.153 3.660 -13.931 1.00 1.10 C ATOM 344 CG ASN A 24 6.544 3.594 -15.323 1.00 1.16 C ATOM 345 OD1 ASN A 24 6.879 2.753 -16.146 1.00 1.32 O ATOM 346 ND2 ASN A 24 5.616 4.482 -15.604 1.00 1.18 N ATOM 0 H ASN A 24 8.788 3.572 -12.010 1.00 1.13 H new ATOM 0 HA ASN A 24 7.623 1.547 -13.836 1.00 1.15 H new ATOM 0 HB2 ASN A 24 6.355 3.650 -13.189 1.00 1.10 H new ATOM 0 HB3 ASN A 24 7.684 4.605 -13.816 1.00 1.10 H new ATOM 0 HD21 ASN A 24 5.165 4.476 -16.519 1.00 1.18 H new ATOM 0 HD22 ASN A 24 5.347 5.177 -14.907 1.00 1.18 H new ATOM 353 N PRO A 25 9.814 1.396 -15.111 1.00 1.31 N ATOM 354 CA PRO A 25 10.926 1.376 -16.059 1.00 1.35 C ATOM 355 C PRO A 25 10.517 1.740 -17.495 1.00 1.36 C ATOM 356 O PRO A 25 11.397 1.926 -18.334 1.00 1.37 O ATOM 357 CB PRO A 25 11.464 -0.056 -15.985 1.00 1.61 C ATOM 358 CG PRO A 25 10.205 -0.873 -15.690 1.00 1.73 C ATOM 359 CD PRO A 25 9.427 0.040 -14.750 1.00 1.54 C ATOM 0 HA PRO A 25 11.669 2.129 -15.798 1.00 1.35 H new ATOM 0 HB2 PRO A 25 11.935 -0.361 -16.920 1.00 1.61 H new ATOM 0 HB3 PRO A 25 12.212 -0.167 -15.200 1.00 1.61 H new ATOM 0 HG2 PRO A 25 9.643 -1.093 -16.598 1.00 1.73 H new ATOM 0 HG3 PRO A 25 10.442 -1.828 -15.222 1.00 1.73 H new ATOM 0 HD2 PRO A 25 8.353 -0.104 -14.864 1.00 1.54 H new ATOM 0 HD3 PRO A 25 9.669 -0.172 -13.709 1.00 1.54 H new ATOM 367 N GLY A 26 9.214 1.851 -17.794 1.00 1.41 N ATOM 368 CA GLY A 26 8.696 2.182 -19.124 1.00 1.50 C ATOM 369 C GLY A 26 8.706 3.682 -19.412 1.00 1.36 C ATOM 370 O GLY A 26 9.307 4.466 -18.681 1.00 1.46 O ATOM 0 H GLY A 26 8.478 1.710 -17.102 1.00 1.41 H new ATOM 0 HA2 GLY A 26 9.293 1.669 -19.878 1.00 1.50 H new ATOM 0 HA3 GLY A 26 7.677 1.807 -19.215 1.00 1.50 H new ATOM 374 N ASP A 27 8.067 4.060 -20.519 1.00 1.26 N ATOM 375 CA ASP A 27 8.143 5.406 -21.116 1.00 1.32 C ATOM 376 C ASP A 27 6.766 6.097 -21.220 1.00 1.53 C ATOM 377 O ASP A 27 6.636 7.165 -21.811 1.00 1.83 O ATOM 378 CB ASP A 27 8.880 5.295 -22.460 1.00 1.45 C ATOM 379 CG ASP A 27 10.337 4.890 -22.212 1.00 1.76 C ATOM 380 OD1 ASP A 27 10.605 3.682 -22.023 1.00 2.66 O ATOM 381 OD2 ASP A 27 11.190 5.783 -22.027 1.00 2.31 O ATOM 0 H ASP A 27 7.464 3.426 -21.044 1.00 1.26 H new ATOM 0 HA ASP A 27 8.711 6.064 -20.458 1.00 1.32 H new ATOM 0 HB2 ASP A 27 8.390 4.558 -23.096 1.00 1.45 H new ATOM 0 HB3 ASP A 27 8.841 6.248 -22.988 1.00 1.45 H new ATOM 386 N LEU A 28 5.741 5.508 -20.590 1.00 1.43 N ATOM 387 CA LEU A 28 4.397 6.063 -20.427 1.00 1.60 C ATOM 388 C LEU A 28 4.020 6.150 -18.931 1.00 1.38 C ATOM 389 O LEU A 28 4.639 5.453 -18.119 1.00 1.13 O ATOM 390 CB LEU A 28 3.429 5.240 -21.301 1.00 1.87 C ATOM 391 CG LEU A 28 3.186 3.766 -20.905 1.00 1.89 C ATOM 392 CD1 LEU A 28 2.236 3.617 -19.705 1.00 2.11 C ATOM 393 CD2 LEU A 28 2.561 3.033 -22.102 1.00 2.27 C ATOM 0 H LEU A 28 5.834 4.587 -20.161 1.00 1.43 H new ATOM 0 HA LEU A 28 4.341 7.094 -20.776 1.00 1.60 H new ATOM 0 HB2 LEU A 28 2.466 5.750 -21.307 1.00 1.87 H new ATOM 0 HB3 LEU A 28 3.804 5.256 -22.324 1.00 1.87 H new ATOM 0 HG LEU A 28 4.150 3.344 -20.622 1.00 1.89 H new ATOM 0 HD11 LEU A 28 2.104 2.560 -19.474 1.00 2.11 H new ATOM 0 HD12 LEU A 28 2.660 4.127 -18.840 1.00 2.11 H new ATOM 0 HD13 LEU A 28 1.270 4.058 -19.949 1.00 2.11 H new ATOM 0 HD21 LEU A 28 2.383 1.991 -21.838 1.00 2.27 H new ATOM 0 HD22 LEU A 28 1.615 3.507 -22.365 1.00 2.27 H new ATOM 0 HD23 LEU A 28 3.240 3.081 -22.953 1.00 2.27 H new ATOM 405 N PRO A 29 3.043 6.985 -18.529 1.00 1.53 N ATOM 406 CA PRO A 29 2.760 7.250 -17.122 1.00 1.41 C ATOM 407 C PRO A 29 1.869 6.161 -16.504 1.00 1.24 C ATOM 408 O PRO A 29 1.068 5.520 -17.187 1.00 1.32 O ATOM 409 CB PRO A 29 2.084 8.623 -17.104 1.00 1.70 C ATOM 410 CG PRO A 29 1.329 8.651 -18.433 1.00 1.93 C ATOM 411 CD PRO A 29 2.206 7.822 -19.376 1.00 1.86 C ATOM 0 HA PRO A 29 3.668 7.242 -16.519 1.00 1.41 H new ATOM 0 HB2 PRO A 29 1.410 8.730 -16.254 1.00 1.70 H new ATOM 0 HB3 PRO A 29 2.813 9.431 -17.036 1.00 1.70 H new ATOM 0 HG2 PRO A 29 0.332 8.221 -18.335 1.00 1.93 H new ATOM 0 HG3 PRO A 29 1.202 9.670 -18.799 1.00 1.93 H new ATOM 0 HD2 PRO A 29 1.594 7.213 -20.041 1.00 1.86 H new ATOM 0 HD3 PRO A 29 2.816 8.468 -20.008 1.00 1.86 H new ATOM 419 N LEU A 30 1.989 5.982 -15.186 1.00 1.07 N ATOM 420 CA LEU A 30 1.249 5.008 -14.386 1.00 0.92 C ATOM 421 C LEU A 30 0.274 5.752 -13.471 1.00 0.99 C ATOM 422 O LEU A 30 0.610 6.798 -12.926 1.00 1.28 O ATOM 423 CB LEU A 30 2.247 4.157 -13.580 1.00 0.86 C ATOM 424 CG LEU A 30 2.207 2.664 -13.946 1.00 0.86 C ATOM 425 CD1 LEU A 30 2.571 2.362 -15.407 1.00 2.08 C ATOM 426 CD2 LEU A 30 3.165 1.914 -13.021 1.00 2.05 C ATOM 0 H LEU A 30 2.634 6.538 -14.624 1.00 1.07 H new ATOM 0 HA LEU A 30 0.673 4.340 -15.026 1.00 0.92 H new ATOM 0 HB2 LEU A 30 3.255 4.538 -13.745 1.00 0.86 H new ATOM 0 HB3 LEU A 30 2.034 4.269 -12.517 1.00 0.86 H new ATOM 0 HG LEU A 30 1.175 2.335 -13.821 1.00 0.86 H new ATOM 0 HD11 LEU A 30 2.518 1.287 -15.580 1.00 2.08 H new ATOM 0 HD12 LEU A 30 1.871 2.871 -16.069 1.00 2.08 H new ATOM 0 HD13 LEU A 30 3.583 2.713 -15.610 1.00 2.08 H new ATOM 0 HD21 LEU A 30 3.150 0.852 -13.266 1.00 2.05 H new ATOM 0 HD22 LEU A 30 4.175 2.302 -13.151 1.00 2.05 H new ATOM 0 HD23 LEU A 30 2.854 2.052 -11.986 1.00 2.05 H new ATOM 438 N ARG A 31 -0.924 5.201 -13.267 1.00 0.90 N ATOM 439 CA ARG A 31 -1.966 5.802 -12.418 1.00 0.97 C ATOM 440 C ARG A 31 -2.688 4.712 -11.638 1.00 0.88 C ATOM 441 O ARG A 31 -3.390 3.897 -12.231 1.00 0.86 O ATOM 442 CB ARG A 31 -2.921 6.648 -13.272 1.00 1.20 C ATOM 443 CG ARG A 31 -3.835 7.562 -12.429 1.00 1.38 C ATOM 444 CD ARG A 31 -3.909 8.958 -13.063 1.00 1.78 C ATOM 445 NE ARG A 31 -4.769 9.886 -12.312 1.00 1.39 N ATOM 446 CZ ARG A 31 -4.811 11.203 -12.504 1.00 1.89 C ATOM 447 NH1 ARG A 31 -3.996 11.823 -13.326 1.00 2.11 N ATOM 448 NH2 ARG A 31 -5.682 11.936 -11.851 1.00 3.45 N ATOM 0 H ARG A 31 -1.205 4.316 -13.689 1.00 0.90 H new ATOM 0 HA ARG A 31 -1.510 6.474 -11.691 1.00 0.97 H new ATOM 0 HB2 ARG A 31 -2.338 7.261 -13.960 1.00 1.20 H new ATOM 0 HB3 ARG A 31 -3.539 5.987 -13.880 1.00 1.20 H new ATOM 0 HG2 ARG A 31 -4.834 7.130 -12.363 1.00 1.38 H new ATOM 0 HG3 ARG A 31 -3.451 7.635 -11.411 1.00 1.38 H new ATOM 0 HD2 ARG A 31 -2.904 9.375 -13.128 1.00 1.78 H new ATOM 0 HD3 ARG A 31 -4.284 8.868 -14.083 1.00 1.78 H new ATOM 0 HE ARG A 31 -5.376 9.492 -11.593 1.00 1.39 H new ATOM 0 HH11 ARG A 31 -3.297 11.294 -13.847 1.00 2.11 H new ATOM 0 HH12 ARG A 31 -4.062 12.834 -13.444 1.00 2.11 H new ATOM 0 HH21 ARG A 31 -6.328 11.497 -11.195 1.00 3.45 H new ATOM 0 HH22 ARG A 31 -5.713 12.945 -11.999 1.00 3.45 H new ATOM 462 N LEU A 32 -2.417 4.655 -10.339 1.00 0.88 N ATOM 463 CA LEU A 32 -2.707 3.574 -9.401 1.00 0.79 C ATOM 464 C LEU A 32 -4.005 3.894 -8.647 1.00 0.79 C ATOM 465 O LEU A 32 -4.126 4.988 -8.113 1.00 1.15 O ATOM 466 CB LEU A 32 -1.459 3.483 -8.494 1.00 0.85 C ATOM 467 CG LEU A 32 -1.405 2.242 -7.579 1.00 0.91 C ATOM 468 CD1 LEU A 32 0.058 1.884 -7.261 1.00 1.97 C ATOM 469 CD2 LEU A 32 -2.153 2.479 -6.265 1.00 1.98 C ATOM 0 H LEU A 32 -1.948 5.432 -9.874 1.00 0.88 H new ATOM 0 HA LEU A 32 -2.881 2.608 -9.874 1.00 0.79 H new ATOM 0 HB2 LEU A 32 -0.570 3.490 -9.124 1.00 0.85 H new ATOM 0 HB3 LEU A 32 -1.415 4.377 -7.871 1.00 0.85 H new ATOM 0 HG LEU A 32 -1.886 1.422 -8.112 1.00 0.91 H new ATOM 0 HD11 LEU A 32 0.086 1.007 -6.615 1.00 1.97 H new ATOM 0 HD12 LEU A 32 0.590 1.669 -8.188 1.00 1.97 H new ATOM 0 HD13 LEU A 32 0.536 2.723 -6.755 1.00 1.97 H new ATOM 0 HD21 LEU A 32 -2.094 1.584 -5.646 1.00 1.98 H new ATOM 0 HD22 LEU A 32 -1.701 3.317 -5.735 1.00 1.98 H new ATOM 0 HD23 LEU A 32 -3.198 2.705 -6.477 1.00 1.98 H new ATOM 481 N VAL A 33 -4.958 2.962 -8.602 1.00 0.47 N ATOM 482 CA VAL A 33 -6.333 3.211 -8.107 1.00 0.48 C ATOM 483 C VAL A 33 -6.813 2.202 -7.045 1.00 0.52 C ATOM 484 O VAL A 33 -7.855 2.401 -6.421 1.00 0.57 O ATOM 485 CB VAL A 33 -7.349 3.290 -9.275 1.00 0.52 C ATOM 486 CG1 VAL A 33 -6.987 4.410 -10.270 1.00 0.55 C ATOM 487 CG2 VAL A 33 -7.468 1.973 -10.061 1.00 0.56 C ATOM 0 H VAL A 33 -4.806 2.001 -8.909 1.00 0.47 H new ATOM 0 HA VAL A 33 -6.284 4.178 -7.607 1.00 0.48 H new ATOM 0 HB VAL A 33 -8.307 3.503 -8.800 1.00 0.52 H new ATOM 0 HG11 VAL A 33 -7.722 4.434 -11.074 1.00 0.55 H new ATOM 0 HG12 VAL A 33 -6.984 5.369 -9.753 1.00 0.55 H new ATOM 0 HG13 VAL A 33 -5.998 4.220 -10.688 1.00 0.55 H new ATOM 0 HG21 VAL A 33 -8.194 2.093 -10.865 1.00 0.56 H new ATOM 0 HG22 VAL A 33 -6.498 1.713 -10.485 1.00 0.56 H new ATOM 0 HG23 VAL A 33 -7.796 1.178 -9.391 1.00 0.56 H new ATOM 497 N GLY A 34 -6.067 1.110 -6.817 1.00 0.51 N ATOM 498 CA GLY A 34 -6.353 0.130 -5.770 1.00 0.55 C ATOM 499 C GLY A 34 -5.389 -1.054 -5.806 1.00 0.53 C ATOM 500 O GLY A 34 -4.326 -0.982 -6.417 1.00 0.46 O ATOM 0 H GLY A 34 -5.237 0.884 -7.365 1.00 0.51 H new ATOM 0 HA2 GLY A 34 -6.293 0.615 -4.796 1.00 0.55 H new ATOM 0 HA3 GLY A 34 -7.375 -0.232 -5.884 1.00 0.55 H new ATOM 504 N ALA A 35 -5.791 -2.161 -5.180 1.00 0.64 N ATOM 505 CA ALA A 35 -5.194 -3.494 -5.319 1.00 0.69 C ATOM 506 C ALA A 35 -6.223 -4.592 -4.966 1.00 0.73 C ATOM 507 O ALA A 35 -7.387 -4.251 -4.737 1.00 0.89 O ATOM 508 CB ALA A 35 -3.909 -3.590 -4.485 1.00 0.82 C ATOM 0 H ALA A 35 -6.578 -2.154 -4.532 1.00 0.64 H new ATOM 0 HA ALA A 35 -4.911 -3.657 -6.359 1.00 0.69 H new ATOM 0 HB1 ALA A 35 -3.476 -4.584 -4.597 1.00 0.82 H new ATOM 0 HB2 ALA A 35 -3.195 -2.842 -4.830 1.00 0.82 H new ATOM 0 HB3 ALA A 35 -4.142 -3.412 -3.435 1.00 0.82 H new ATOM 514 N ARG A 36 -5.819 -5.873 -4.924 1.00 0.69 N ATOM 515 CA ARG A 36 -6.604 -7.032 -4.436 1.00 0.64 C ATOM 516 C ARG A 36 -5.646 -8.089 -3.881 1.00 0.60 C ATOM 517 O ARG A 36 -4.577 -8.252 -4.448 1.00 0.73 O ATOM 518 CB ARG A 36 -7.431 -7.690 -5.567 1.00 0.85 C ATOM 519 CG ARG A 36 -8.450 -6.790 -6.275 1.00 1.70 C ATOM 520 CD ARG A 36 -9.578 -6.331 -5.338 1.00 3.00 C ATOM 521 NE ARG A 36 -10.164 -5.065 -5.795 1.00 4.77 N ATOM 522 CZ ARG A 36 -11.180 -4.896 -6.631 1.00 5.82 C ATOM 523 NH1 ARG A 36 -11.829 -5.924 -7.139 1.00 5.55 N ATOM 524 NH2 ARG A 36 -11.552 -3.675 -6.967 1.00 7.64 N ATOM 0 H ARG A 36 -4.890 -6.148 -5.244 1.00 0.69 H new ATOM 0 HA ARG A 36 -7.287 -6.665 -3.670 1.00 0.64 H new ATOM 0 HB2 ARG A 36 -6.740 -8.078 -6.315 1.00 0.85 H new ATOM 0 HB3 ARG A 36 -7.962 -8.545 -5.149 1.00 0.85 H new ATOM 0 HG2 ARG A 36 -7.939 -5.916 -6.679 1.00 1.70 H new ATOM 0 HG3 ARG A 36 -8.880 -7.328 -7.120 1.00 1.70 H new ATOM 0 HD2 ARG A 36 -10.352 -7.098 -5.293 1.00 3.00 H new ATOM 0 HD3 ARG A 36 -9.189 -6.211 -4.327 1.00 3.00 H new ATOM 0 HE ARG A 36 -9.739 -4.214 -5.426 1.00 4.77 H new ATOM 0 HH11 ARG A 36 -11.553 -6.874 -6.891 1.00 5.55 H new ATOM 0 HH12 ARG A 36 -12.607 -5.770 -7.780 1.00 5.55 H new ATOM 0 HH21 ARG A 36 -11.059 -2.868 -6.584 1.00 7.64 H new ATOM 0 HH22 ARG A 36 -12.332 -3.538 -7.609 1.00 7.64 H new ATOM 538 N THR A 37 -5.996 -8.831 -2.825 1.00 0.55 N ATOM 539 CA THR A 37 -5.135 -9.866 -2.215 1.00 0.55 C ATOM 540 C THR A 37 -5.995 -11.069 -1.803 1.00 0.56 C ATOM 541 O THR A 37 -7.147 -10.840 -1.437 1.00 0.59 O ATOM 542 CB THR A 37 -4.388 -9.307 -1.006 1.00 0.60 C ATOM 543 OG1 THR A 37 -3.596 -10.350 -0.497 1.00 0.63 O ATOM 544 CG2 THR A 37 -5.265 -8.724 0.100 1.00 0.63 C ATOM 0 H THR A 37 -6.898 -8.733 -2.358 1.00 0.55 H new ATOM 0 HA THR A 37 -4.395 -10.186 -2.948 1.00 0.55 H new ATOM 0 HB THR A 37 -3.802 -8.455 -1.352 1.00 0.60 H new ATOM 0 HG1 THR A 37 -2.771 -10.420 -1.022 1.00 0.63 H new ATOM 0 HG21 THR A 37 -4.634 -8.356 0.909 1.00 0.63 H new ATOM 0 HG22 THR A 37 -5.857 -7.902 -0.301 1.00 0.63 H new ATOM 0 HG23 THR A 37 -5.931 -9.498 0.482 1.00 0.63 H new ATOM 552 N PRO A 38 -5.478 -12.315 -1.769 1.00 0.62 N ATOM 553 CA PRO A 38 -6.146 -13.420 -1.087 1.00 0.70 C ATOM 554 C PRO A 38 -6.207 -13.262 0.436 1.00 0.72 C ATOM 555 O PRO A 38 -7.051 -13.895 1.059 1.00 0.88 O ATOM 556 CB PRO A 38 -5.334 -14.661 -1.454 1.00 0.81 C ATOM 557 CG PRO A 38 -3.934 -14.129 -1.742 1.00 0.78 C ATOM 558 CD PRO A 38 -4.243 -12.783 -2.388 1.00 0.71 C ATOM 0 HA PRO A 38 -7.188 -13.472 -1.402 1.00 0.70 H new ATOM 0 HB2 PRO A 38 -5.324 -15.384 -0.639 1.00 0.81 H new ATOM 0 HB3 PRO A 38 -5.753 -15.167 -2.324 1.00 0.81 H new ATOM 0 HG2 PRO A 38 -3.342 -14.021 -0.833 1.00 0.78 H new ATOM 0 HG3 PRO A 38 -3.376 -14.785 -2.410 1.00 0.78 H new ATOM 0 HD2 PRO A 38 -3.431 -12.075 -2.223 1.00 0.71 H new ATOM 0 HD3 PRO A 38 -4.362 -12.886 -3.467 1.00 0.71 H new ATOM 566 N VAL A 39 -5.324 -12.459 1.042 1.00 0.67 N ATOM 567 CA VAL A 39 -5.208 -12.378 2.524 1.00 0.74 C ATOM 568 C VAL A 39 -6.187 -11.406 3.205 1.00 0.75 C ATOM 569 O VAL A 39 -6.146 -11.258 4.426 1.00 0.93 O ATOM 570 CB VAL A 39 -3.758 -12.136 3.019 1.00 0.80 C ATOM 571 CG1 VAL A 39 -2.767 -13.033 2.257 1.00 0.88 C ATOM 572 CG2 VAL A 39 -3.309 -10.665 2.950 1.00 0.78 C ATOM 0 H VAL A 39 -4.675 -11.853 0.540 1.00 0.67 H new ATOM 0 HA VAL A 39 -5.508 -13.376 2.842 1.00 0.74 H new ATOM 0 HB VAL A 39 -3.759 -12.402 4.076 1.00 0.80 H new ATOM 0 HG11 VAL A 39 -1.756 -12.848 2.619 1.00 0.88 H new ATOM 0 HG12 VAL A 39 -3.025 -14.080 2.419 1.00 0.88 H new ATOM 0 HG13 VAL A 39 -2.818 -12.808 1.192 1.00 0.88 H new ATOM 0 HG21 VAL A 39 -2.285 -10.580 3.313 1.00 0.78 H new ATOM 0 HG22 VAL A 39 -3.358 -10.318 1.918 1.00 0.78 H new ATOM 0 HG23 VAL A 39 -3.966 -10.055 3.570 1.00 0.78 H new ATOM 582 N ALA A 40 -7.087 -10.767 2.456 1.00 0.65 N ATOM 583 CA ALA A 40 -8.081 -9.819 2.973 1.00 0.65 C ATOM 584 C ALA A 40 -9.355 -9.785 2.116 1.00 0.66 C ATOM 585 O ALA A 40 -9.429 -10.456 1.083 1.00 0.90 O ATOM 586 CB ALA A 40 -7.446 -8.428 3.102 1.00 0.82 C ATOM 0 H ALA A 40 -7.148 -10.896 1.446 1.00 0.65 H new ATOM 0 HA ALA A 40 -8.394 -10.157 3.961 1.00 0.65 H new ATOM 0 HB1 ALA A 40 -8.185 -7.725 3.486 1.00 0.82 H new ATOM 0 HB2 ALA A 40 -6.600 -8.476 3.788 1.00 0.82 H new ATOM 0 HB3 ALA A 40 -7.101 -8.093 2.124 1.00 0.82 H new ATOM 592 N GLU A 41 -10.351 -9.017 2.563 1.00 0.65 N ATOM 593 CA GLU A 41 -11.624 -8.827 1.874 1.00 0.76 C ATOM 594 C GLU A 41 -11.717 -7.392 1.334 1.00 0.77 C ATOM 595 O GLU A 41 -11.256 -7.101 0.224 1.00 1.03 O ATOM 596 CB GLU A 41 -12.779 -9.221 2.825 1.00 0.86 C ATOM 597 CG GLU A 41 -14.121 -9.400 2.104 1.00 1.12 C ATOM 598 CD GLU A 41 -14.059 -10.618 1.189 1.00 1.88 C ATOM 599 OE1 GLU A 41 -14.251 -11.742 1.692 1.00 2.76 O ATOM 600 OE2 GLU A 41 -13.586 -10.491 0.041 1.00 2.84 O ATOM 0 H GLU A 41 -10.290 -8.497 3.438 1.00 0.65 H new ATOM 0 HA GLU A 41 -11.701 -9.478 1.003 1.00 0.76 H new ATOM 0 HB2 GLU A 41 -12.521 -10.149 3.334 1.00 0.86 H new ATOM 0 HB3 GLU A 41 -12.886 -8.455 3.593 1.00 0.86 H new ATOM 0 HG2 GLU A 41 -14.922 -9.522 2.833 1.00 1.12 H new ATOM 0 HG3 GLU A 41 -14.353 -8.508 1.522 1.00 1.12 H new ATOM 607 N ARG A 42 -12.238 -6.448 2.125 1.00 0.86 N ATOM 608 CA ARG A 42 -12.298 -5.058 1.686 1.00 0.99 C ATOM 609 C ARG A 42 -10.915 -4.433 1.832 1.00 0.97 C ATOM 610 O ARG A 42 -10.508 -4.022 2.915 1.00 1.45 O ATOM 611 CB ARG A 42 -13.386 -4.244 2.396 1.00 1.19 C ATOM 612 CG ARG A 42 -13.518 -2.888 1.680 1.00 1.40 C ATOM 613 CD ARG A 42 -14.565 -1.981 2.319 1.00 1.80 C ATOM 614 NE ARG A 42 -14.065 -1.325 3.534 1.00 1.99 N ATOM 615 CZ ARG A 42 -14.608 -1.289 4.737 1.00 2.73 C ATOM 616 NH1 ARG A 42 -15.581 -2.095 5.108 1.00 3.37 N ATOM 617 NH2 ARG A 42 -14.149 -0.394 5.579 1.00 4.24 N ATOM 0 H ARG A 42 -12.617 -6.620 3.056 1.00 0.86 H new ATOM 0 HA ARG A 42 -12.589 -5.043 0.636 1.00 0.99 H new ATOM 0 HB2 ARG A 42 -14.335 -4.779 2.375 1.00 1.19 H new ATOM 0 HB3 ARG A 42 -13.127 -4.096 3.444 1.00 1.19 H new ATOM 0 HG2 ARG A 42 -12.552 -2.382 1.688 1.00 1.40 H new ATOM 0 HG3 ARG A 42 -13.780 -3.058 0.636 1.00 1.40 H new ATOM 0 HD2 ARG A 42 -14.874 -1.222 1.600 1.00 1.80 H new ATOM 0 HD3 ARG A 42 -15.451 -2.568 2.563 1.00 1.80 H new ATOM 0 HE ARG A 42 -13.178 -0.830 3.435 1.00 1.99 H new ATOM 0 HH11 ARG A 42 -15.948 -2.786 4.454 1.00 3.37 H new ATOM 0 HH12 ARG A 42 -15.968 -2.028 6.049 1.00 3.37 H new ATOM 0 HH21 ARG A 42 -13.402 0.239 5.294 1.00 4.24 H new ATOM 0 HH22 ARG A 42 -14.540 -0.331 6.519 1.00 4.24 H new ATOM 631 N VAL A 43 -10.230 -4.354 0.704 1.00 0.86 N ATOM 632 CA VAL A 43 -9.064 -3.493 0.469 1.00 0.85 C ATOM 633 C VAL A 43 -9.496 -2.057 0.112 1.00 1.01 C ATOM 634 O VAL A 43 -10.384 -1.858 -0.718 1.00 1.25 O ATOM 635 CB VAL A 43 -8.131 -4.104 -0.601 1.00 1.05 C ATOM 636 CG1 VAL A 43 -8.859 -4.477 -1.902 1.00 1.37 C ATOM 637 CG2 VAL A 43 -6.923 -3.211 -0.934 1.00 1.18 C ATOM 0 H VAL A 43 -10.476 -4.910 -0.115 1.00 0.86 H new ATOM 0 HA VAL A 43 -8.493 -3.432 1.396 1.00 0.85 H new ATOM 0 HB VAL A 43 -7.766 -5.020 -0.138 1.00 1.05 H new ATOM 0 HG11 VAL A 43 -8.146 -4.900 -2.610 1.00 1.37 H new ATOM 0 HG12 VAL A 43 -9.636 -5.211 -1.687 1.00 1.37 H new ATOM 0 HG13 VAL A 43 -9.313 -3.585 -2.334 1.00 1.37 H new ATOM 0 HG21 VAL A 43 -6.309 -3.698 -1.691 1.00 1.18 H new ATOM 0 HG22 VAL A 43 -7.274 -2.251 -1.313 1.00 1.18 H new ATOM 0 HG23 VAL A 43 -6.330 -3.051 -0.034 1.00 1.18 H new ATOM 647 N GLU A 44 -8.836 -1.076 0.726 1.00 0.94 N ATOM 648 CA GLU A 44 -8.903 0.369 0.449 1.00 0.91 C ATOM 649 C GLU A 44 -7.467 0.904 0.309 1.00 0.95 C ATOM 650 O GLU A 44 -6.584 0.408 1.009 1.00 1.14 O ATOM 651 CB GLU A 44 -9.549 1.111 1.637 1.00 0.78 C ATOM 652 CG GLU A 44 -11.012 0.744 1.921 1.00 0.86 C ATOM 653 CD GLU A 44 -11.531 1.402 3.206 1.00 1.05 C ATOM 654 OE1 GLU A 44 -11.240 2.598 3.430 1.00 1.99 O ATOM 655 OE2 GLU A 44 -12.265 0.704 3.948 1.00 2.17 O ATOM 0 H GLU A 44 -8.190 -1.280 1.489 1.00 0.94 H new ATOM 0 HA GLU A 44 -9.488 0.528 -0.457 1.00 0.91 H new ATOM 0 HB2 GLU A 44 -8.961 0.911 2.533 1.00 0.78 H new ATOM 0 HB3 GLU A 44 -9.490 2.183 1.450 1.00 0.78 H new ATOM 0 HG2 GLU A 44 -11.633 1.052 1.080 1.00 0.86 H new ATOM 0 HG3 GLU A 44 -11.104 -0.339 2.005 1.00 0.86 H new ATOM 662 N LEU A 45 -7.187 1.920 -0.526 1.00 0.89 N ATOM 663 CA LEU A 45 -5.931 2.660 -0.463 1.00 0.86 C ATOM 664 C LEU A 45 -6.063 3.898 0.428 1.00 0.78 C ATOM 665 O LEU A 45 -6.898 4.777 0.191 1.00 0.77 O ATOM 666 CB LEU A 45 -5.493 3.014 -1.888 1.00 0.91 C ATOM 667 CG LEU A 45 -3.995 3.365 -1.930 1.00 0.93 C ATOM 668 CD1 LEU A 45 -3.465 3.088 -3.325 1.00 1.06 C ATOM 669 CD2 LEU A 45 -3.672 4.833 -1.646 1.00 0.88 C ATOM 0 H LEU A 45 -7.824 2.243 -1.254 1.00 0.89 H new ATOM 0 HA LEU A 45 -5.160 2.039 -0.007 1.00 0.86 H new ATOM 0 HB2 LEU A 45 -5.693 2.174 -2.554 1.00 0.91 H new ATOM 0 HB3 LEU A 45 -6.079 3.857 -2.254 1.00 0.91 H new ATOM 0 HG LEU A 45 -3.538 2.758 -1.149 1.00 0.93 H new ATOM 0 HD11 LEU A 45 -2.404 3.333 -3.366 1.00 1.06 H new ATOM 0 HD12 LEU A 45 -3.603 2.034 -3.564 1.00 1.06 H new ATOM 0 HD13 LEU A 45 -4.007 3.698 -4.048 1.00 1.06 H new ATOM 0 HD21 LEU A 45 -2.594 4.985 -1.697 1.00 0.88 H new ATOM 0 HD22 LEU A 45 -4.163 5.464 -2.387 1.00 0.88 H new ATOM 0 HD23 LEU A 45 -4.029 5.098 -0.651 1.00 0.88 H new ATOM 681 N HIS A 46 -5.194 3.984 1.431 1.00 0.74 N ATOM 682 CA HIS A 46 -5.058 5.122 2.334 1.00 0.69 C ATOM 683 C HIS A 46 -3.702 5.844 2.180 1.00 0.69 C ATOM 684 O HIS A 46 -2.681 5.254 1.823 1.00 0.74 O ATOM 685 CB HIS A 46 -5.254 4.654 3.787 1.00 0.74 C ATOM 686 CG HIS A 46 -6.670 4.372 4.256 1.00 0.73 C ATOM 687 ND1 HIS A 46 -7.126 4.609 5.557 1.00 0.78 N ATOM 688 CD2 HIS A 46 -7.718 3.878 3.528 1.00 0.75 C ATOM 689 CE1 HIS A 46 -8.404 4.194 5.583 1.00 0.83 C ATOM 690 NE2 HIS A 46 -8.779 3.724 4.386 1.00 0.80 N ATOM 0 H HIS A 46 -4.539 3.232 1.645 1.00 0.74 H new ATOM 0 HA HIS A 46 -5.830 5.845 2.070 1.00 0.69 H new ATOM 0 HB2 HIS A 46 -4.668 3.746 3.928 1.00 0.74 H new ATOM 0 HB3 HIS A 46 -4.829 5.413 4.443 1.00 0.74 H new ATOM 0 HD2 HIS A 46 -7.712 3.651 2.472 1.00 0.75 H new ATOM 0 HE1 HIS A 46 -9.043 4.234 6.453 1.00 0.83 H new ATOM 0 HE2 HIS A 46 -9.688 3.324 4.154 1.00 0.80 H new ATOM 698 N GLU A 47 -3.707 7.134 2.496 1.00 0.66 N ATOM 699 CA GLU A 47 -2.511 7.955 2.690 1.00 0.71 C ATOM 700 C GLU A 47 -2.193 8.089 4.187 1.00 0.73 C ATOM 701 O GLU A 47 -3.051 7.819 5.036 1.00 0.71 O ATOM 702 CB GLU A 47 -2.666 9.336 2.028 1.00 0.74 C ATOM 703 CG GLU A 47 -3.844 10.137 2.588 1.00 0.74 C ATOM 704 CD GLU A 47 -3.772 11.608 2.203 1.00 0.99 C ATOM 705 OE1 GLU A 47 -3.680 11.920 1.000 1.00 2.16 O ATOM 706 OE2 GLU A 47 -3.977 12.461 3.096 1.00 1.69 O ATOM 0 H GLU A 47 -4.572 7.658 2.629 1.00 0.66 H new ATOM 0 HA GLU A 47 -1.673 7.456 2.204 1.00 0.71 H new ATOM 0 HB2 GLU A 47 -1.747 9.905 2.168 1.00 0.74 H new ATOM 0 HB3 GLU A 47 -2.800 9.205 0.954 1.00 0.74 H new ATOM 0 HG2 GLU A 47 -4.778 9.712 2.220 1.00 0.74 H new ATOM 0 HG3 GLU A 47 -3.859 10.047 3.674 1.00 0.74 H new ATOM 713 N THR A 48 -0.985 8.569 4.490 1.00 0.95 N ATOM 714 CA THR A 48 -0.579 9.019 5.825 1.00 1.03 C ATOM 715 C THR A 48 -0.062 10.445 5.708 1.00 1.12 C ATOM 716 O THR A 48 0.932 10.690 5.027 1.00 1.25 O ATOM 717 CB THR A 48 0.507 8.126 6.418 1.00 1.18 C ATOM 718 OG1 THR A 48 0.154 6.765 6.306 1.00 1.30 O ATOM 719 CG2 THR A 48 0.734 8.446 7.897 1.00 1.32 C ATOM 0 H THR A 48 -0.242 8.658 3.797 1.00 0.95 H new ATOM 0 HA THR A 48 -1.440 8.969 6.491 1.00 1.03 H new ATOM 0 HB THR A 48 1.422 8.318 5.857 1.00 1.18 H new ATOM 0 HG1 THR A 48 0.925 6.207 6.538 1.00 1.30 H new ATOM 0 HG21 THR A 48 1.513 7.795 8.295 1.00 1.32 H new ATOM 0 HG22 THR A 48 1.042 9.486 8.001 1.00 1.32 H new ATOM 0 HG23 THR A 48 -0.191 8.285 8.450 1.00 1.32 H new ATOM 727 N PHE A 49 -0.742 11.368 6.383 1.00 1.24 N ATOM 728 CA PHE A 49 -0.524 12.811 6.300 1.00 1.32 C ATOM 729 C PHE A 49 -0.134 13.415 7.657 1.00 1.37 C ATOM 730 O PHE A 49 -0.041 12.734 8.679 1.00 1.63 O ATOM 731 CB PHE A 49 -1.801 13.464 5.725 1.00 1.30 C ATOM 732 CG PHE A 49 -3.038 13.386 6.609 1.00 1.22 C ATOM 733 CD1 PHE A 49 -3.296 14.379 7.577 1.00 1.81 C ATOM 734 CD2 PHE A 49 -3.949 12.323 6.455 1.00 2.24 C ATOM 735 CE1 PHE A 49 -4.433 14.297 8.399 1.00 1.81 C ATOM 736 CE2 PHE A 49 -5.095 12.252 7.261 1.00 2.20 C ATOM 737 CZ PHE A 49 -5.333 13.233 8.234 1.00 1.15 C ATOM 0 H PHE A 49 -1.491 11.122 7.030 1.00 1.24 H new ATOM 0 HA PHE A 49 0.318 13.011 5.637 1.00 1.32 H new ATOM 0 HB2 PHE A 49 -1.589 14.513 5.520 1.00 1.30 H new ATOM 0 HB3 PHE A 49 -2.030 12.992 4.769 1.00 1.30 H new ATOM 0 HD1 PHE A 49 -2.614 15.209 7.687 1.00 1.81 H new ATOM 0 HD2 PHE A 49 -3.765 11.560 5.714 1.00 2.24 H new ATOM 0 HE1 PHE A 49 -4.613 15.049 9.153 1.00 1.81 H new ATOM 0 HE2 PHE A 49 -5.795 11.440 7.132 1.00 2.20 H new ATOM 0 HZ PHE A 49 -6.212 13.170 8.859 1.00 1.15 H new ATOM 747 N MET A 50 0.035 14.741 7.679 1.00 1.35 N ATOM 748 CA MET A 50 0.160 15.540 8.901 1.00 1.49 C ATOM 749 C MET A 50 -0.589 16.875 8.791 1.00 1.38 C ATOM 750 O MET A 50 -0.961 17.305 7.695 1.00 1.69 O ATOM 751 CB MET A 50 1.641 15.729 9.267 1.00 1.92 C ATOM 752 CG MET A 50 2.450 16.420 8.162 1.00 2.16 C ATOM 753 SD MET A 50 4.136 16.823 8.670 1.00 2.81 S ATOM 754 CE MET A 50 4.722 17.588 7.138 1.00 2.89 C ATOM 0 H MET A 50 0.090 15.301 6.828 1.00 1.35 H new ATOM 0 HA MET A 50 -0.316 14.994 9.715 1.00 1.49 H new ATOM 0 HB2 MET A 50 1.711 16.317 10.182 1.00 1.92 H new ATOM 0 HB3 MET A 50 2.084 14.756 9.479 1.00 1.92 H new ATOM 0 HG2 MET A 50 2.485 15.772 7.286 1.00 2.16 H new ATOM 0 HG3 MET A 50 1.938 17.334 7.862 1.00 2.16 H new ATOM 0 HE1 MET A 50 5.758 17.904 7.262 1.00 2.89 H new ATOM 0 HE2 MET A 50 4.658 16.867 6.323 1.00 2.89 H new ATOM 0 HE3 MET A 50 4.104 18.455 6.904 1.00 2.89 H new ATOM 764 N ARG A 51 -0.833 17.513 9.938 1.00 1.37 N ATOM 765 CA ARG A 51 -1.537 18.790 10.071 1.00 1.48 C ATOM 766 C ARG A 51 -1.317 19.426 11.445 1.00 1.60 C ATOM 767 O ARG A 51 -0.808 18.791 12.371 1.00 1.68 O ATOM 768 CB ARG A 51 -3.037 18.605 9.748 1.00 1.52 C ATOM 769 CG ARG A 51 -3.423 19.401 8.493 1.00 2.25 C ATOM 770 CD ARG A 51 -4.664 18.806 7.825 1.00 2.54 C ATOM 771 NE ARG A 51 -5.020 19.549 6.601 1.00 3.64 N ATOM 772 CZ ARG A 51 -4.416 19.456 5.417 1.00 4.80 C ATOM 773 NH1 ARG A 51 -3.372 18.672 5.218 1.00 5.38 N ATOM 774 NH2 ARG A 51 -4.868 20.165 4.404 1.00 5.88 N ATOM 0 H ARG A 51 -0.532 17.138 10.838 1.00 1.37 H new ATOM 0 HA ARG A 51 -1.118 19.488 9.346 1.00 1.48 H new ATOM 0 HB2 ARG A 51 -3.254 17.548 9.595 1.00 1.52 H new ATOM 0 HB3 ARG A 51 -3.640 18.935 10.594 1.00 1.52 H new ATOM 0 HG2 ARG A 51 -3.613 20.440 8.762 1.00 2.25 H new ATOM 0 HG3 ARG A 51 -2.591 19.401 7.788 1.00 2.25 H new ATOM 0 HD2 ARG A 51 -4.481 17.760 7.578 1.00 2.54 H new ATOM 0 HD3 ARG A 51 -5.501 18.827 8.523 1.00 2.54 H new ATOM 0 HE ARG A 51 -5.805 20.197 6.668 1.00 3.64 H new ATOM 0 HH11 ARG A 51 -3.002 18.111 5.985 1.00 5.38 H new ATOM 0 HH12 ARG A 51 -2.936 18.627 4.297 1.00 5.38 H new ATOM 0 HH21 ARG A 51 -5.673 20.778 4.530 1.00 5.88 H new ATOM 0 HH22 ARG A 51 -4.413 20.101 3.493 1.00 5.88 H new ATOM 788 N GLU A 52 -1.689 20.694 11.548 1.00 1.70 N ATOM 789 CA GLU A 52 -1.797 21.446 12.790 1.00 1.81 C ATOM 790 C GLU A 52 -3.265 21.471 13.214 1.00 1.75 C ATOM 791 O GLU A 52 -4.141 21.597 12.361 1.00 1.78 O ATOM 792 CB GLU A 52 -1.058 22.771 12.653 1.00 2.19 C ATOM 793 CG GLU A 52 -1.793 24.018 13.083 1.00 2.26 C ATOM 794 CD GLU A 52 -0.822 25.197 12.951 1.00 3.46 C ATOM 795 OE1 GLU A 52 -0.039 25.242 11.978 1.00 3.71 O ATOM 796 OE2 GLU A 52 -0.599 25.887 13.965 1.00 4.85 O ATOM 0 H GLU A 52 -1.935 21.252 10.730 1.00 1.70 H new ATOM 0 HA GLU A 52 -1.289 20.978 13.633 1.00 1.81 H new ATOM 0 HB2 GLU A 52 -0.137 22.705 13.232 1.00 2.19 H new ATOM 0 HB3 GLU A 52 -0.771 22.891 11.608 1.00 2.19 H new ATOM 0 HG2 GLU A 52 -2.674 24.176 12.462 1.00 2.26 H new ATOM 0 HG3 GLU A 52 -2.141 23.922 14.111 1.00 2.26 H new ATOM 803 N VAL A 53 -3.494 21.231 14.506 1.00 1.87 N ATOM 804 CA VAL A 53 -4.818 21.114 15.137 1.00 1.98 C ATOM 805 C VAL A 53 -5.048 22.402 15.942 1.00 1.87 C ATOM 806 O VAL A 53 -5.066 23.482 15.353 1.00 2.48 O ATOM 807 CB VAL A 53 -4.952 19.786 15.930 1.00 2.28 C ATOM 808 CG1 VAL A 53 -6.425 19.501 16.276 1.00 2.17 C ATOM 809 CG2 VAL A 53 -4.411 18.573 15.144 1.00 3.19 C ATOM 0 H VAL A 53 -2.732 21.107 15.173 1.00 1.87 H new ATOM 0 HA VAL A 53 -5.621 21.038 14.404 1.00 1.98 H new ATOM 0 HB VAL A 53 -4.360 19.918 16.836 1.00 2.28 H new ATOM 0 HG11 VAL A 53 -6.494 18.566 16.831 1.00 2.17 H new ATOM 0 HG12 VAL A 53 -6.820 20.314 16.885 1.00 2.17 H new ATOM 0 HG13 VAL A 53 -7.006 19.421 15.357 1.00 2.17 H new ATOM 0 HG21 VAL A 53 -4.528 17.670 15.743 1.00 3.19 H new ATOM 0 HG22 VAL A 53 -4.967 18.466 14.213 1.00 3.19 H new ATOM 0 HG23 VAL A 53 -3.355 18.726 14.921 1.00 3.19 H new ATOM 819 N GLU A 54 -5.123 22.341 17.272 1.00 2.20 N ATOM 820 CA GLU A 54 -5.011 23.517 18.148 1.00 2.08 C ATOM 821 C GLU A 54 -3.525 23.919 18.259 1.00 2.36 C ATOM 822 O GLU A 54 -2.865 23.703 19.276 1.00 2.78 O ATOM 823 CB GLU A 54 -5.706 23.331 19.521 1.00 2.09 C ATOM 824 CG GLU A 54 -6.866 22.323 19.579 1.00 2.87 C ATOM 825 CD GLU A 54 -6.330 20.946 19.963 1.00 3.57 C ATOM 826 OE1 GLU A 54 -5.483 20.397 19.224 1.00 4.01 O ATOM 827 OE2 GLU A 54 -6.590 20.489 21.096 1.00 4.31 O ATOM 0 H GLU A 54 -5.264 21.468 17.780 1.00 2.20 H new ATOM 0 HA GLU A 54 -5.560 24.342 17.695 1.00 2.08 H new ATOM 0 HB2 GLU A 54 -4.952 23.023 20.245 1.00 2.09 H new ATOM 0 HB3 GLU A 54 -6.082 24.301 19.846 1.00 2.09 H new ATOM 0 HG2 GLU A 54 -7.609 22.650 20.306 1.00 2.87 H new ATOM 0 HG3 GLU A 54 -7.366 22.273 18.612 1.00 2.87 H new ATOM 834 N GLY A 55 -2.957 24.386 17.138 1.00 2.26 N ATOM 835 CA GLY A 55 -1.560 24.816 16.957 1.00 2.42 C ATOM 836 C GLY A 55 -0.508 23.706 16.992 1.00 2.36 C ATOM 837 O GLY A 55 0.584 23.853 16.438 1.00 2.50 O ATOM 0 H GLY A 55 -3.495 24.480 16.277 1.00 2.26 H new ATOM 0 HA2 GLY A 55 -1.481 25.335 16.002 1.00 2.42 H new ATOM 0 HA3 GLY A 55 -1.320 25.542 17.734 1.00 2.42 H new ATOM 841 N LYS A 56 -0.831 22.569 17.605 1.00 2.28 N ATOM 842 CA LYS A 56 0.003 21.385 17.726 1.00 2.32 C ATOM 843 C LYS A 56 0.052 20.636 16.391 1.00 2.02 C ATOM 844 O LYS A 56 -0.983 20.444 15.752 1.00 1.83 O ATOM 845 CB LYS A 56 -0.548 20.524 18.876 1.00 2.42 C ATOM 846 CG LYS A 56 -1.953 19.948 18.610 1.00 3.37 C ATOM 847 CD LYS A 56 -2.580 19.230 19.806 1.00 4.09 C ATOM 848 CE LYS A 56 -2.965 20.226 20.908 1.00 3.67 C ATOM 849 NZ LYS A 56 -4.120 19.728 21.689 1.00 4.17 N ATOM 0 H LYS A 56 -1.738 22.447 18.056 1.00 2.28 H new ATOM 0 HA LYS A 56 1.033 21.653 17.963 1.00 2.32 H new ATOM 0 HB2 LYS A 56 0.142 19.701 19.063 1.00 2.42 H new ATOM 0 HB3 LYS A 56 -0.579 21.126 19.784 1.00 2.42 H new ATOM 0 HG2 LYS A 56 -2.613 20.760 18.303 1.00 3.37 H new ATOM 0 HG3 LYS A 56 -1.894 19.251 17.774 1.00 3.37 H new ATOM 0 HD2 LYS A 56 -3.464 18.681 19.482 1.00 4.09 H new ATOM 0 HD3 LYS A 56 -1.878 18.497 20.203 1.00 4.09 H new ATOM 0 HE2 LYS A 56 -2.115 20.388 21.571 1.00 3.67 H new ATOM 0 HE3 LYS A 56 -3.210 21.190 20.463 1.00 3.67 H new ATOM 0 HZ1 LYS A 56 -4.842 20.474 21.755 1.00 4.17 H new ATOM 0 HZ2 LYS A 56 -4.525 18.895 21.217 1.00 4.17 H new ATOM 0 HZ3 LYS A 56 -3.805 19.465 22.645 1.00 4.17 H new ATOM 863 N LYS A 57 1.245 20.227 15.955 1.00 2.02 N ATOM 864 CA LYS A 57 1.450 19.482 14.706 1.00 1.81 C ATOM 865 C LYS A 57 1.380 17.965 14.988 1.00 1.84 C ATOM 866 O LYS A 57 2.047 17.495 15.904 1.00 2.08 O ATOM 867 CB LYS A 57 2.784 19.915 14.056 1.00 1.88 C ATOM 868 CG LYS A 57 2.724 21.248 13.274 1.00 2.14 C ATOM 869 CD LYS A 57 2.554 22.523 14.119 1.00 3.38 C ATOM 870 CE LYS A 57 2.402 23.768 13.229 1.00 4.02 C ATOM 871 NZ LYS A 57 1.937 24.957 13.986 1.00 5.51 N ATOM 0 H LYS A 57 2.110 20.405 16.465 1.00 2.02 H new ATOM 0 HA LYS A 57 0.659 19.709 13.991 1.00 1.81 H new ATOM 0 HB2 LYS A 57 3.540 20.002 14.836 1.00 1.88 H new ATOM 0 HB3 LYS A 57 3.114 19.127 13.378 1.00 1.88 H new ATOM 0 HG2 LYS A 57 3.639 21.344 12.689 1.00 2.14 H new ATOM 0 HG3 LYS A 57 1.897 21.193 12.566 1.00 2.14 H new ATOM 0 HD2 LYS A 57 1.678 22.423 14.760 1.00 3.38 H new ATOM 0 HD3 LYS A 57 3.416 22.645 14.774 1.00 3.38 H new ATOM 0 HE2 LYS A 57 3.359 23.993 12.759 1.00 4.02 H new ATOM 0 HE3 LYS A 57 1.695 23.553 12.427 1.00 4.02 H new ATOM 0 HZ1 LYS A 57 1.426 25.598 13.346 1.00 5.51 H new ATOM 0 HZ2 LYS A 57 1.302 24.654 14.752 1.00 5.51 H new ATOM 0 HZ3 LYS A 57 2.756 25.453 14.391 1.00 5.51 H new ATOM 885 N VAL A 58 0.550 17.222 14.248 1.00 1.71 N ATOM 886 CA VAL A 58 0.206 15.805 14.498 1.00 1.78 C ATOM 887 C VAL A 58 0.011 15.070 13.160 1.00 1.49 C ATOM 888 O VAL A 58 -0.336 15.693 12.155 1.00 1.39 O ATOM 889 CB VAL A 58 -1.073 15.659 15.375 1.00 2.11 C ATOM 890 CG1 VAL A 58 -1.190 14.251 15.989 1.00 2.85 C ATOM 891 CG2 VAL A 58 -1.148 16.669 16.537 1.00 2.21 C ATOM 0 H VAL A 58 0.078 17.599 13.426 1.00 1.71 H new ATOM 0 HA VAL A 58 1.034 15.358 15.048 1.00 1.78 H new ATOM 0 HB VAL A 58 -1.892 15.853 14.682 1.00 2.11 H new ATOM 0 HG11 VAL A 58 -2.095 14.192 16.593 1.00 2.85 H new ATOM 0 HG12 VAL A 58 -1.236 13.509 15.192 1.00 2.85 H new ATOM 0 HG13 VAL A 58 -0.321 14.055 16.617 1.00 2.85 H new ATOM 0 HG21 VAL A 58 -2.066 16.506 17.102 1.00 2.21 H new ATOM 0 HG22 VAL A 58 -0.288 16.533 17.193 1.00 2.21 H new ATOM 0 HG23 VAL A 58 -1.143 17.683 16.138 1.00 2.21 H new ATOM 901 N MET A 59 0.252 13.755 13.141 1.00 1.52 N ATOM 902 CA MET A 59 0.003 12.856 12.001 1.00 1.35 C ATOM 903 C MET A 59 -1.450 12.354 11.927 1.00 1.06 C ATOM 904 O MET A 59 -2.171 12.386 12.924 1.00 1.10 O ATOM 905 CB MET A 59 0.993 11.683 12.057 1.00 1.58 C ATOM 906 CG MET A 59 0.747 10.744 13.249 1.00 3.39 C ATOM 907 SD MET A 59 2.235 9.922 13.865 1.00 4.49 S ATOM 908 CE MET A 59 2.988 11.323 14.733 1.00 4.18 C ATOM 0 H MET A 59 0.640 13.266 13.947 1.00 1.52 H new ATOM 0 HA MET A 59 0.159 13.430 11.088 1.00 1.35 H new ATOM 0 HB2 MET A 59 0.923 11.112 11.131 1.00 1.58 H new ATOM 0 HB3 MET A 59 2.009 12.075 12.114 1.00 1.58 H new ATOM 0 HG2 MET A 59 0.299 11.316 14.061 1.00 3.39 H new ATOM 0 HG3 MET A 59 0.021 9.985 12.956 1.00 3.39 H new ATOM 0 HE1 MET A 59 4.051 11.368 14.497 1.00 4.18 H new ATOM 0 HE2 MET A 59 2.506 12.248 14.417 1.00 4.18 H new ATOM 0 HE3 MET A 59 2.860 11.196 15.808 1.00 4.18 H new ATOM 918 N GLY A 60 -1.862 11.849 10.760 1.00 1.11 N ATOM 919 CA GLY A 60 -3.155 11.191 10.519 1.00 1.01 C ATOM 920 C GLY A 60 -3.125 10.222 9.333 1.00 1.00 C ATOM 921 O GLY A 60 -2.135 10.154 8.614 1.00 1.48 O ATOM 0 H GLY A 60 -1.282 11.888 9.922 1.00 1.11 H new ATOM 0 HA2 GLY A 60 -3.452 10.648 11.416 1.00 1.01 H new ATOM 0 HA3 GLY A 60 -3.915 11.952 10.340 1.00 1.01 H new ATOM 925 N MET A 61 -4.213 9.472 9.131 1.00 0.73 N ATOM 926 CA MET A 61 -4.426 8.557 7.991 1.00 0.66 C ATOM 927 C MET A 61 -5.856 8.694 7.453 1.00 0.63 C ATOM 928 O MET A 61 -6.752 9.100 8.196 1.00 0.73 O ATOM 929 CB MET A 61 -4.184 7.094 8.408 1.00 0.76 C ATOM 930 CG MET A 61 -2.720 6.812 8.751 1.00 0.92 C ATOM 931 SD MET A 61 -2.406 5.129 9.335 1.00 2.82 S ATOM 932 CE MET A 61 -0.642 5.312 9.687 1.00 2.29 C ATOM 0 H MET A 61 -5.002 9.481 9.777 1.00 0.73 H new ATOM 0 HA MET A 61 -3.715 8.829 7.211 1.00 0.66 H new ATOM 0 HB2 MET A 61 -4.807 6.859 9.271 1.00 0.76 H new ATOM 0 HB3 MET A 61 -4.497 6.434 7.599 1.00 0.76 H new ATOM 0 HG2 MET A 61 -2.109 6.998 7.868 1.00 0.92 H new ATOM 0 HG3 MET A 61 -2.396 7.517 9.517 1.00 0.92 H new ATOM 0 HE1 MET A 61 -0.247 4.369 10.065 1.00 2.29 H new ATOM 0 HE2 MET A 61 -0.115 5.586 8.773 1.00 2.29 H new ATOM 0 HE3 MET A 61 -0.499 6.091 10.436 1.00 2.29 H new ATOM 942 N ARG A 62 -6.077 8.371 6.173 1.00 0.58 N ATOM 943 CA ARG A 62 -7.388 8.457 5.499 1.00 0.54 C ATOM 944 C ARG A 62 -7.355 7.758 4.132 1.00 0.48 C ATOM 945 O ARG A 62 -6.284 7.738 3.518 1.00 0.50 O ATOM 946 CB ARG A 62 -7.843 9.927 5.331 1.00 0.70 C ATOM 947 CG ARG A 62 -6.964 10.710 4.342 1.00 1.96 C ATOM 948 CD ARG A 62 -7.387 12.170 4.165 1.00 1.91 C ATOM 949 NE ARG A 62 -6.689 12.744 3.007 1.00 3.21 N ATOM 950 CZ ARG A 62 -7.050 12.692 1.732 1.00 3.93 C ATOM 951 NH1 ARG A 62 -8.233 12.256 1.348 1.00 3.89 N ATOM 952 NH2 ARG A 62 -6.182 13.032 0.806 1.00 5.36 N ATOM 0 H ARG A 62 -5.335 8.034 5.559 1.00 0.58 H new ATOM 0 HA ARG A 62 -8.110 7.945 6.135 1.00 0.54 H new ATOM 0 HB2 ARG A 62 -8.877 9.946 4.986 1.00 0.70 H new ATOM 0 HB3 ARG A 62 -7.822 10.423 6.301 1.00 0.70 H new ATOM 0 HG2 ARG A 62 -5.930 10.680 4.686 1.00 1.96 H new ATOM 0 HG3 ARG A 62 -6.992 10.213 3.372 1.00 1.96 H new ATOM 0 HD2 ARG A 62 -8.466 12.233 4.021 1.00 1.91 H new ATOM 0 HD3 ARG A 62 -7.152 12.740 5.064 1.00 1.91 H new ATOM 0 HE ARG A 62 -5.822 13.243 3.208 1.00 3.21 H new ATOM 0 HH11 ARG A 62 -8.911 11.942 2.042 1.00 3.89 H new ATOM 0 HH12 ARG A 62 -8.471 12.232 0.356 1.00 3.89 H new ATOM 0 HH21 ARG A 62 -5.244 13.331 1.072 1.00 5.36 H new ATOM 0 HH22 ARG A 62 -6.446 12.997 -0.178 1.00 5.36 H new ATOM 966 N PRO A 63 -8.490 7.263 3.597 1.00 0.50 N ATOM 967 CA PRO A 63 -8.532 6.770 2.233 1.00 0.50 C ATOM 968 C PRO A 63 -8.373 7.895 1.210 1.00 0.43 C ATOM 969 O PRO A 63 -8.751 9.043 1.447 1.00 0.46 O ATOM 970 CB PRO A 63 -9.830 5.996 2.047 1.00 0.62 C ATOM 971 CG PRO A 63 -10.617 6.213 3.332 1.00 0.59 C ATOM 972 CD PRO A 63 -9.800 7.161 4.215 1.00 0.60 C ATOM 0 HA PRO A 63 -7.687 6.104 2.058 1.00 0.50 H new ATOM 0 HB2 PRO A 63 -10.384 6.359 1.181 1.00 0.62 H new ATOM 0 HB3 PRO A 63 -9.635 4.937 1.879 1.00 0.62 H new ATOM 0 HG2 PRO A 63 -11.596 6.639 3.115 1.00 0.59 H new ATOM 0 HG3 PRO A 63 -10.788 5.265 3.842 1.00 0.59 H new ATOM 0 HD2 PRO A 63 -10.276 8.139 4.281 1.00 0.60 H new ATOM 0 HD3 PRO A 63 -9.722 6.776 5.232 1.00 0.60 H new ATOM 980 N VAL A 64 -7.837 7.512 0.053 1.00 0.46 N ATOM 981 CA VAL A 64 -7.719 8.337 -1.159 1.00 0.45 C ATOM 982 C VAL A 64 -8.119 7.514 -2.390 1.00 0.47 C ATOM 983 O VAL A 64 -7.915 6.301 -2.389 1.00 0.52 O ATOM 984 CB VAL A 64 -6.292 8.892 -1.393 1.00 0.45 C ATOM 985 CG1 VAL A 64 -6.158 10.274 -0.759 1.00 0.71 C ATOM 986 CG2 VAL A 64 -5.174 7.964 -0.898 1.00 0.61 C ATOM 0 H VAL A 64 -7.454 6.576 -0.076 1.00 0.46 H new ATOM 0 HA VAL A 64 -8.386 9.186 -1.010 1.00 0.45 H new ATOM 0 HB VAL A 64 -6.164 8.962 -2.473 1.00 0.45 H new ATOM 0 HG11 VAL A 64 -5.151 10.656 -0.929 1.00 0.71 H new ATOM 0 HG12 VAL A 64 -6.884 10.952 -1.208 1.00 0.71 H new ATOM 0 HG13 VAL A 64 -6.343 10.202 0.313 1.00 0.71 H new ATOM 0 HG21 VAL A 64 -4.205 8.423 -1.098 1.00 0.61 H new ATOM 0 HG22 VAL A 64 -5.284 7.801 0.174 1.00 0.61 H new ATOM 0 HG23 VAL A 64 -5.237 7.008 -1.419 1.00 0.61 H new ATOM 996 N PRO A 65 -8.677 8.150 -3.440 1.00 0.57 N ATOM 997 CA PRO A 65 -9.164 7.450 -4.622 1.00 0.66 C ATOM 998 C PRO A 65 -8.052 6.984 -5.571 1.00 0.52 C ATOM 999 O PRO A 65 -8.324 6.097 -6.377 1.00 0.57 O ATOM 1000 CB PRO A 65 -10.106 8.443 -5.313 1.00 0.87 C ATOM 1001 CG PRO A 65 -9.535 9.806 -4.925 1.00 0.88 C ATOM 1002 CD PRO A 65 -9.013 9.566 -3.511 1.00 0.70 C ATOM 0 HA PRO A 65 -9.663 6.525 -4.332 1.00 0.66 H new ATOM 0 HB2 PRO A 65 -10.113 8.304 -6.394 1.00 0.87 H new ATOM 0 HB3 PRO A 65 -11.134 8.326 -4.970 1.00 0.87 H new ATOM 0 HG2 PRO A 65 -8.740 10.119 -5.602 1.00 0.88 H new ATOM 0 HG3 PRO A 65 -10.297 10.585 -4.948 1.00 0.88 H new ATOM 0 HD2 PRO A 65 -8.139 10.185 -3.308 1.00 0.70 H new ATOM 0 HD3 PRO A 65 -9.767 9.826 -2.768 1.00 0.70 H new ATOM 1010 N PHE A 66 -6.830 7.544 -5.496 1.00 0.48 N ATOM 1011 CA PHE A 66 -5.721 7.204 -6.390 1.00 0.59 C ATOM 1012 C PHE A 66 -4.392 7.853 -5.976 1.00 0.73 C ATOM 1013 O PHE A 66 -4.334 8.753 -5.138 1.00 0.65 O ATOM 1014 CB PHE A 66 -6.054 7.557 -7.869 1.00 0.67 C ATOM 1015 CG PHE A 66 -6.092 9.039 -8.201 1.00 0.65 C ATOM 1016 CD1 PHE A 66 -7.282 9.768 -8.033 1.00 1.79 C ATOM 1017 CD2 PHE A 66 -4.940 9.692 -8.688 1.00 1.58 C ATOM 1018 CE1 PHE A 66 -7.309 11.151 -8.288 1.00 1.81 C ATOM 1019 CE2 PHE A 66 -4.960 11.077 -8.927 1.00 1.62 C ATOM 1020 CZ PHE A 66 -6.143 11.809 -8.716 1.00 0.78 C ATOM 0 H PHE A 66 -6.588 8.253 -4.803 1.00 0.48 H new ATOM 0 HA PHE A 66 -5.591 6.125 -6.304 1.00 0.59 H new ATOM 0 HB2 PHE A 66 -5.316 7.078 -8.512 1.00 0.67 H new ATOM 0 HB3 PHE A 66 -7.023 7.123 -8.117 1.00 0.67 H new ATOM 0 HD1 PHE A 66 -8.180 9.264 -7.707 1.00 1.79 H new ATOM 0 HD2 PHE A 66 -4.040 9.126 -8.878 1.00 1.58 H new ATOM 0 HE1 PHE A 66 -8.225 11.707 -8.155 1.00 1.81 H new ATOM 0 HE2 PHE A 66 -4.068 11.579 -9.272 1.00 1.62 H new ATOM 0 HZ PHE A 66 -6.155 12.876 -8.883 1.00 0.78 H new ATOM 1030 N LEU A 67 -3.346 7.411 -6.673 1.00 1.04 N ATOM 1031 CA LEU A 67 -2.047 8.058 -6.848 1.00 1.18 C ATOM 1032 C LEU A 67 -1.539 7.804 -8.277 1.00 1.02 C ATOM 1033 O LEU A 67 -2.177 7.096 -9.055 1.00 0.92 O ATOM 1034 CB LEU A 67 -1.068 7.647 -5.727 1.00 1.31 C ATOM 1035 CG LEU A 67 -0.976 6.167 -5.305 1.00 1.94 C ATOM 1036 CD1 LEU A 67 0.342 5.555 -5.804 1.00 2.82 C ATOM 1037 CD2 LEU A 67 -0.971 6.059 -3.774 1.00 2.72 C ATOM 0 H LEU A 67 -3.389 6.521 -7.169 1.00 1.04 H new ATOM 0 HA LEU A 67 -2.141 9.139 -6.745 1.00 1.18 H new ATOM 0 HB2 LEU A 67 -0.070 7.962 -6.033 1.00 1.31 H new ATOM 0 HB3 LEU A 67 -1.327 8.224 -4.839 1.00 1.31 H new ATOM 0 HG LEU A 67 -1.831 5.643 -5.731 1.00 1.94 H new ATOM 0 HD11 LEU A 67 0.396 4.510 -5.500 1.00 2.82 H new ATOM 0 HD12 LEU A 67 0.384 5.619 -6.891 1.00 2.82 H new ATOM 0 HD13 LEU A 67 1.182 6.101 -5.375 1.00 2.82 H new ATOM 0 HD21 LEU A 67 -0.906 5.010 -3.483 1.00 2.72 H new ATOM 0 HD22 LEU A 67 -0.114 6.600 -3.374 1.00 2.72 H new ATOM 0 HD23 LEU A 67 -1.890 6.489 -3.376 1.00 2.72 H new ATOM 1049 N GLU A 68 -0.413 8.392 -8.666 1.00 1.12 N ATOM 1050 CA GLU A 68 0.114 8.283 -10.027 1.00 1.15 C ATOM 1051 C GLU A 68 1.620 8.506 -10.052 1.00 1.23 C ATOM 1052 O GLU A 68 2.215 8.889 -9.046 1.00 1.26 O ATOM 1053 CB GLU A 68 -0.662 9.199 -10.993 1.00 1.22 C ATOM 1054 CG GLU A 68 -0.309 10.686 -10.919 1.00 1.34 C ATOM 1055 CD GLU A 68 -1.308 11.476 -11.770 1.00 1.44 C ATOM 1056 OE1 GLU A 68 -1.356 11.236 -13.000 1.00 2.39 O ATOM 1057 OE2 GLU A 68 -2.125 12.229 -11.198 1.00 2.03 O ATOM 0 H GLU A 68 0.164 8.960 -8.046 1.00 1.12 H new ATOM 0 HA GLU A 68 -0.042 7.265 -10.385 1.00 1.15 H new ATOM 0 HB2 GLU A 68 -0.489 8.853 -12.012 1.00 1.22 H new ATOM 0 HB3 GLU A 68 -1.728 9.086 -10.795 1.00 1.22 H new ATOM 0 HG2 GLU A 68 -0.340 11.030 -9.885 1.00 1.34 H new ATOM 0 HG3 GLU A 68 0.706 10.851 -11.279 1.00 1.34 H new ATOM 1064 N VAL A 69 2.228 8.202 -11.194 1.00 1.28 N ATOM 1065 CA VAL A 69 3.676 8.097 -11.364 1.00 1.33 C ATOM 1066 C VAL A 69 4.032 8.487 -12.801 1.00 1.37 C ATOM 1067 O VAL A 69 3.340 8.045 -13.722 1.00 1.36 O ATOM 1068 CB VAL A 69 4.197 6.649 -11.111 1.00 1.32 C ATOM 1069 CG1 VAL A 69 5.674 6.652 -10.681 1.00 1.18 C ATOM 1070 CG2 VAL A 69 3.393 5.826 -10.085 1.00 1.50 C ATOM 0 H VAL A 69 1.712 8.016 -12.054 1.00 1.28 H new ATOM 0 HA VAL A 69 4.143 8.760 -10.636 1.00 1.33 H new ATOM 0 HB VAL A 69 4.068 6.160 -12.077 1.00 1.32 H new ATOM 0 HG11 VAL A 69 6.006 5.628 -10.513 1.00 1.18 H new ATOM 0 HG12 VAL A 69 6.280 7.106 -11.465 1.00 1.18 H new ATOM 0 HG13 VAL A 69 5.784 7.225 -9.760 1.00 1.18 H new ATOM 0 HG21 VAL A 69 3.838 4.836 -9.983 1.00 1.50 H new ATOM 0 HG22 VAL A 69 3.409 6.332 -9.120 1.00 1.50 H new ATOM 0 HG23 VAL A 69 2.362 5.727 -10.425 1.00 1.50 H new ATOM 1080 N PRO A 70 5.101 9.264 -13.038 1.00 1.44 N ATOM 1081 CA PRO A 70 5.645 9.426 -14.377 1.00 1.47 C ATOM 1082 C PRO A 70 6.354 8.130 -14.823 1.00 1.30 C ATOM 1083 O PRO A 70 6.560 7.225 -14.009 1.00 1.22 O ATOM 1084 CB PRO A 70 6.607 10.612 -14.266 1.00 1.63 C ATOM 1085 CG PRO A 70 7.119 10.516 -12.830 1.00 1.61 C ATOM 1086 CD PRO A 70 5.915 9.976 -12.059 1.00 1.53 C ATOM 0 HA PRO A 70 4.881 9.615 -15.131 1.00 1.47 H new ATOM 0 HB2 PRO A 70 7.420 10.540 -14.989 1.00 1.63 H new ATOM 0 HB3 PRO A 70 6.100 11.559 -14.450 1.00 1.63 H new ATOM 0 HG2 PRO A 70 7.977 9.848 -12.753 1.00 1.61 H new ATOM 0 HG3 PRO A 70 7.436 11.488 -12.451 1.00 1.61 H new ATOM 0 HD2 PRO A 70 6.232 9.310 -11.256 1.00 1.53 H new ATOM 0 HD3 PRO A 70 5.351 10.787 -11.597 1.00 1.53 H new ATOM 1094 N PRO A 71 6.770 8.036 -16.096 1.00 1.30 N ATOM 1095 CA PRO A 71 7.782 7.080 -16.515 1.00 1.06 C ATOM 1096 C PRO A 71 9.121 7.392 -15.839 1.00 0.88 C ATOM 1097 O PRO A 71 9.425 8.550 -15.556 1.00 1.02 O ATOM 1098 CB PRO A 71 7.841 7.173 -18.036 1.00 1.29 C ATOM 1099 CG PRO A 71 7.230 8.527 -18.390 1.00 1.58 C ATOM 1100 CD PRO A 71 6.374 8.911 -17.188 1.00 1.54 C ATOM 0 HA PRO A 71 7.542 6.059 -16.218 1.00 1.06 H new ATOM 0 HB2 PRO A 71 8.868 7.101 -18.393 1.00 1.29 H new ATOM 0 HB3 PRO A 71 7.285 6.359 -18.500 1.00 1.29 H new ATOM 0 HG2 PRO A 71 8.004 9.271 -18.575 1.00 1.58 H new ATOM 0 HG3 PRO A 71 6.628 8.462 -19.296 1.00 1.58 H new ATOM 0 HD2 PRO A 71 6.528 9.957 -16.921 1.00 1.54 H new ATOM 0 HD3 PRO A 71 5.314 8.793 -17.414 1.00 1.54 H new ATOM 1108 N LYS A 72 9.904 6.344 -15.546 1.00 0.75 N ATOM 1109 CA LYS A 72 11.220 6.385 -14.872 1.00 0.84 C ATOM 1110 C LYS A 72 11.150 6.773 -13.381 1.00 0.97 C ATOM 1111 O LYS A 72 12.166 6.796 -12.688 1.00 1.17 O ATOM 1112 CB LYS A 72 12.217 7.271 -15.643 1.00 0.94 C ATOM 1113 CG LYS A 72 12.172 7.116 -17.170 1.00 1.13 C ATOM 1114 CD LYS A 72 12.364 5.679 -17.681 1.00 0.97 C ATOM 1115 CE LYS A 72 12.193 5.661 -19.203 1.00 1.21 C ATOM 1116 NZ LYS A 72 12.068 4.288 -19.738 1.00 1.38 N ATOM 0 H LYS A 72 9.626 5.392 -15.783 1.00 0.75 H new ATOM 0 HA LYS A 72 11.590 5.360 -14.886 1.00 0.84 H new ATOM 0 HB2 LYS A 72 12.023 8.314 -15.392 1.00 0.94 H new ATOM 0 HB3 LYS A 72 13.226 7.042 -15.299 1.00 0.94 H new ATOM 0 HG2 LYS A 72 11.213 7.489 -17.530 1.00 1.13 H new ATOM 0 HG3 LYS A 72 12.945 7.748 -17.608 1.00 1.13 H new ATOM 0 HD2 LYS A 72 13.354 5.313 -17.410 1.00 0.97 H new ATOM 0 HD3 LYS A 72 11.638 5.014 -17.213 1.00 0.97 H new ATOM 0 HE2 LYS A 72 11.307 6.236 -19.474 1.00 1.21 H new ATOM 0 HE3 LYS A 72 13.047 6.153 -19.668 1.00 1.21 H new ATOM 0 HZ1 LYS A 72 12.829 4.112 -20.424 1.00 1.38 H new ATOM 0 HZ2 LYS A 72 12.140 3.604 -18.958 1.00 1.38 H new ATOM 0 HZ3 LYS A 72 11.147 4.181 -20.208 1.00 1.38 H new ATOM 1130 N GLY A 73 9.953 7.078 -12.882 1.00 0.97 N ATOM 1131 CA GLY A 73 9.648 7.453 -11.517 1.00 1.12 C ATOM 1132 C GLY A 73 9.363 6.240 -10.653 1.00 1.04 C ATOM 1133 O GLY A 73 8.790 5.240 -11.079 1.00 1.03 O ATOM 0 H GLY A 73 9.118 7.066 -13.468 1.00 0.97 H new ATOM 0 HA2 GLY A 73 10.485 8.010 -11.097 1.00 1.12 H new ATOM 0 HA3 GLY A 73 8.785 8.118 -11.507 1.00 1.12 H new ATOM 1137 N ARG A 74 9.729 6.414 -9.396 1.00 1.37 N ATOM 1138 CA ARG A 74 9.380 5.555 -8.261 1.00 1.44 C ATOM 1139 C ARG A 74 8.334 6.213 -7.361 1.00 1.78 C ATOM 1140 O ARG A 74 8.405 7.410 -7.098 1.00 2.20 O ATOM 1141 CB ARG A 74 10.650 5.191 -7.459 1.00 1.82 C ATOM 1142 CG ARG A 74 10.328 4.290 -6.250 1.00 2.19 C ATOM 1143 CD ARG A 74 11.526 3.571 -5.625 1.00 2.08 C ATOM 1144 NE ARG A 74 12.529 4.493 -5.103 1.00 3.44 N ATOM 1145 CZ ARG A 74 13.743 4.696 -5.583 1.00 4.40 C ATOM 1146 NH1 ARG A 74 14.161 4.218 -6.742 1.00 4.51 N ATOM 1147 NH2 ARG A 74 14.565 5.414 -4.853 1.00 6.04 N ATOM 0 H ARG A 74 10.312 7.203 -9.116 1.00 1.37 H new ATOM 0 HA ARG A 74 8.939 4.638 -8.652 1.00 1.44 H new ATOM 0 HB2 ARG A 74 11.359 4.682 -8.112 1.00 1.82 H new ATOM 0 HB3 ARG A 74 11.135 6.104 -7.113 1.00 1.82 H new ATOM 0 HG2 ARG A 74 9.851 4.899 -5.482 1.00 2.19 H new ATOM 0 HG3 ARG A 74 9.599 3.541 -6.561 1.00 2.19 H new ATOM 0 HD2 ARG A 74 11.177 2.926 -4.818 1.00 2.08 H new ATOM 0 HD3 ARG A 74 11.987 2.925 -6.372 1.00 2.08 H new ATOM 0 HE ARG A 74 12.265 5.038 -4.282 1.00 3.44 H new ATOM 0 HH11 ARG A 74 13.533 3.658 -7.319 1.00 4.51 H new ATOM 0 HH12 ARG A 74 15.111 4.409 -7.060 1.00 4.51 H new ATOM 0 HH21 ARG A 74 14.256 5.789 -3.956 1.00 6.04 H new ATOM 0 HH22 ARG A 74 15.513 5.597 -5.183 1.00 6.04 H new ATOM 1161 N VAL A 75 7.421 5.396 -6.842 1.00 1.72 N ATOM 1162 CA VAL A 75 6.577 5.691 -5.675 1.00 1.93 C ATOM 1163 C VAL A 75 6.822 4.619 -4.618 1.00 1.52 C ATOM 1164 O VAL A 75 7.092 3.463 -4.936 1.00 1.33 O ATOM 1165 CB VAL A 75 5.068 5.754 -6.007 1.00 2.26 C ATOM 1166 CG1 VAL A 75 4.725 7.098 -6.666 1.00 2.75 C ATOM 1167 CG2 VAL A 75 4.597 4.583 -6.888 1.00 2.08 C ATOM 0 H VAL A 75 7.237 4.473 -7.234 1.00 1.72 H new ATOM 0 HA VAL A 75 6.854 6.681 -5.313 1.00 1.93 H new ATOM 0 HB VAL A 75 4.532 5.666 -5.062 1.00 2.26 H new ATOM 0 HG11 VAL A 75 3.660 7.130 -6.895 1.00 2.75 H new ATOM 0 HG12 VAL A 75 4.974 7.911 -5.985 1.00 2.75 H new ATOM 0 HG13 VAL A 75 5.297 7.208 -7.587 1.00 2.75 H new ATOM 0 HG21 VAL A 75 3.530 4.683 -7.086 1.00 2.08 H new ATOM 0 HG22 VAL A 75 5.144 4.594 -7.831 1.00 2.08 H new ATOM 0 HG23 VAL A 75 4.783 3.641 -6.372 1.00 2.08 H new ATOM 1177 N GLU A 76 6.731 5.004 -3.351 1.00 1.63 N ATOM 1178 CA GLU A 76 6.893 4.089 -2.227 1.00 1.37 C ATOM 1179 C GLU A 76 5.678 4.266 -1.317 1.00 1.25 C ATOM 1180 O GLU A 76 5.503 5.319 -0.702 1.00 1.33 O ATOM 1181 CB GLU A 76 8.240 4.347 -1.523 1.00 1.66 C ATOM 1182 CG GLU A 76 9.416 3.945 -2.433 1.00 2.44 C ATOM 1183 CD GLU A 76 10.789 4.340 -1.890 1.00 2.55 C ATOM 1184 OE1 GLU A 76 11.142 3.850 -0.795 1.00 2.72 O ATOM 1185 OE2 GLU A 76 11.493 5.098 -2.603 1.00 3.41 O ATOM 0 H GLU A 76 6.541 5.967 -3.072 1.00 1.63 H new ATOM 0 HA GLU A 76 6.930 3.048 -2.549 1.00 1.37 H new ATOM 0 HB2 GLU A 76 8.322 5.401 -1.259 1.00 1.66 H new ATOM 0 HB3 GLU A 76 8.284 3.781 -0.592 1.00 1.66 H new ATOM 0 HG2 GLU A 76 9.393 2.866 -2.582 1.00 2.44 H new ATOM 0 HG3 GLU A 76 9.278 4.405 -3.411 1.00 2.44 H new ATOM 1192 N LEU A 77 4.839 3.227 -1.251 1.00 1.16 N ATOM 1193 CA LEU A 77 3.711 3.075 -0.333 1.00 1.14 C ATOM 1194 C LEU A 77 4.248 2.759 1.069 1.00 1.18 C ATOM 1195 O LEU A 77 4.067 1.686 1.634 1.00 1.49 O ATOM 1196 CB LEU A 77 2.679 2.050 -0.855 1.00 1.13 C ATOM 1197 CG LEU A 77 1.867 2.501 -2.091 1.00 1.15 C ATOM 1198 CD1 LEU A 77 2.589 2.244 -3.425 1.00 1.13 C ATOM 1199 CD2 LEU A 77 0.504 1.789 -2.112 1.00 1.19 C ATOM 0 H LEU A 77 4.937 2.425 -1.874 1.00 1.16 H new ATOM 0 HA LEU A 77 3.156 4.011 -0.270 1.00 1.14 H new ATOM 0 HB2 LEU A 77 3.202 1.126 -1.102 1.00 1.13 H new ATOM 0 HB3 LEU A 77 1.983 1.817 -0.049 1.00 1.13 H new ATOM 0 HG LEU A 77 1.740 3.579 -1.996 1.00 1.15 H new ATOM 0 HD11 LEU A 77 1.962 2.584 -4.249 1.00 1.13 H new ATOM 0 HD12 LEU A 77 3.533 2.788 -3.438 1.00 1.13 H new ATOM 0 HD13 LEU A 77 2.784 1.177 -3.534 1.00 1.13 H new ATOM 0 HD21 LEU A 77 -0.062 2.112 -2.986 1.00 1.19 H new ATOM 0 HD22 LEU A 77 0.657 0.711 -2.157 1.00 1.19 H new ATOM 0 HD23 LEU A 77 -0.051 2.039 -1.208 1.00 1.19 H new ATOM 1211 N LYS A 78 4.989 3.734 1.582 1.00 1.16 N ATOM 1212 CA LYS A 78 5.640 3.797 2.882 1.00 1.18 C ATOM 1213 C LYS A 78 4.644 4.173 3.996 1.00 1.05 C ATOM 1214 O LYS A 78 3.726 4.956 3.736 1.00 1.03 O ATOM 1215 CB LYS A 78 6.803 4.806 2.740 1.00 1.34 C ATOM 1216 CG LYS A 78 6.370 6.231 2.305 1.00 1.30 C ATOM 1217 CD LYS A 78 7.472 6.995 1.549 1.00 1.79 C ATOM 1218 CE LYS A 78 8.371 7.818 2.478 1.00 1.82 C ATOM 1219 NZ LYS A 78 7.718 9.092 2.875 1.00 3.23 N ATOM 0 H LYS A 78 5.165 4.582 1.044 1.00 1.16 H new ATOM 0 HA LYS A 78 6.030 2.824 3.181 1.00 1.18 H new ATOM 0 HB2 LYS A 78 7.326 4.874 3.694 1.00 1.34 H new ATOM 0 HB3 LYS A 78 7.516 4.419 2.012 1.00 1.34 H new ATOM 0 HG2 LYS A 78 5.487 6.158 1.670 1.00 1.30 H new ATOM 0 HG3 LYS A 78 6.081 6.801 3.188 1.00 1.30 H new ATOM 0 HD2 LYS A 78 8.085 6.284 0.994 1.00 1.79 H new ATOM 0 HD3 LYS A 78 7.011 7.658 0.817 1.00 1.79 H new ATOM 0 HE2 LYS A 78 8.607 7.235 3.368 1.00 1.82 H new ATOM 0 HE3 LYS A 78 9.315 8.032 1.977 1.00 1.82 H new ATOM 0 HZ1 LYS A 78 8.399 9.686 3.390 1.00 3.23 H new ATOM 0 HZ2 LYS A 78 7.393 9.595 2.025 1.00 3.23 H new ATOM 0 HZ3 LYS A 78 6.904 8.888 3.489 1.00 3.23 H new ATOM 1233 N PRO A 79 4.859 3.729 5.256 1.00 1.01 N ATOM 1234 CA PRO A 79 3.978 4.040 6.385 1.00 0.95 C ATOM 1235 C PRO A 79 3.763 5.545 6.602 1.00 1.03 C ATOM 1236 O PRO A 79 2.648 5.937 6.916 1.00 0.93 O ATOM 1237 CB PRO A 79 4.599 3.367 7.616 1.00 1.04 C ATOM 1238 CG PRO A 79 6.035 3.047 7.202 1.00 1.17 C ATOM 1239 CD PRO A 79 5.934 2.848 5.693 1.00 1.10 C ATOM 0 HA PRO A 79 2.976 3.659 6.185 1.00 0.95 H new ATOM 0 HB2 PRO A 79 4.575 4.028 8.483 1.00 1.04 H new ATOM 0 HB3 PRO A 79 4.055 2.463 7.889 1.00 1.04 H new ATOM 0 HG2 PRO A 79 6.716 3.859 7.455 1.00 1.17 H new ATOM 0 HG3 PRO A 79 6.407 2.152 7.701 1.00 1.17 H new ATOM 0 HD2 PRO A 79 6.873 3.100 5.200 1.00 1.10 H new ATOM 0 HD3 PRO A 79 5.714 1.809 5.448 1.00 1.10 H new ATOM 1247 N GLY A 80 4.779 6.387 6.370 1.00 1.38 N ATOM 1248 CA GLY A 80 4.641 7.849 6.301 1.00 1.47 C ATOM 1249 C GLY A 80 4.458 8.337 4.862 1.00 1.45 C ATOM 1250 O GLY A 80 5.331 9.042 4.350 1.00 1.73 O ATOM 0 H GLY A 80 5.736 6.067 6.222 1.00 1.38 H new ATOM 0 HA2 GLY A 80 3.787 8.162 6.902 1.00 1.47 H new ATOM 0 HA3 GLY A 80 5.525 8.318 6.734 1.00 1.47 H new ATOM 1254 N GLY A 81 3.401 7.890 4.179 1.00 1.31 N ATOM 1255 CA GLY A 81 3.069 8.257 2.796 1.00 1.30 C ATOM 1256 C GLY A 81 1.748 7.673 2.300 1.00 1.15 C ATOM 1257 O GLY A 81 0.767 8.393 2.186 1.00 1.21 O ATOM 0 H GLY A 81 2.728 7.240 4.586 1.00 1.31 H new ATOM 0 HA2 GLY A 81 3.026 9.343 2.719 1.00 1.30 H new ATOM 0 HA3 GLY A 81 3.872 7.923 2.139 1.00 1.30 H new ATOM 1261 N TYR A 82 1.724 6.369 2.022 1.00 1.01 N ATOM 1262 CA TYR A 82 0.592 5.625 1.436 1.00 0.92 C ATOM 1263 C TYR A 82 0.628 4.154 1.853 1.00 0.83 C ATOM 1264 O TYR A 82 1.696 3.620 2.129 1.00 0.81 O ATOM 1265 CB TYR A 82 0.602 5.690 -0.098 1.00 1.11 C ATOM 1266 CG TYR A 82 0.705 7.078 -0.674 1.00 1.24 C ATOM 1267 CD1 TYR A 82 -0.443 7.886 -0.763 1.00 2.23 C ATOM 1268 CD2 TYR A 82 1.960 7.565 -1.085 1.00 1.92 C ATOM 1269 CE1 TYR A 82 -0.332 9.204 -1.231 1.00 2.32 C ATOM 1270 CE2 TYR A 82 2.077 8.880 -1.560 1.00 2.06 C ATOM 1271 CZ TYR A 82 0.931 9.707 -1.617 1.00 1.57 C ATOM 1272 OH TYR A 82 1.035 10.997 -2.029 1.00 1.73 O ATOM 0 H TYR A 82 2.528 5.768 2.205 1.00 1.01 H new ATOM 0 HA TYR A 82 -0.316 6.098 1.811 1.00 0.92 H new ATOM 0 HB2 TYR A 82 1.439 5.097 -0.467 1.00 1.11 H new ATOM 0 HB3 TYR A 82 -0.309 5.224 -0.473 1.00 1.11 H new ATOM 0 HD1 TYR A 82 -1.406 7.493 -0.472 1.00 2.23 H new ATOM 0 HD2 TYR A 82 2.831 6.928 -1.035 1.00 1.92 H new ATOM 0 HE1 TYR A 82 -1.208 9.832 -1.296 1.00 2.32 H new ATOM 0 HE2 TYR A 82 3.036 9.259 -1.880 1.00 2.06 H new ATOM 0 HH TYR A 82 1.967 11.193 -2.259 1.00 1.73 H new ATOM 1282 N HIS A 83 -0.509 3.471 1.867 1.00 0.84 N ATOM 1283 CA HIS A 83 -0.605 2.049 2.176 1.00 0.88 C ATOM 1284 C HIS A 83 -1.965 1.507 1.720 1.00 0.89 C ATOM 1285 O HIS A 83 -2.867 2.276 1.381 1.00 0.95 O ATOM 1286 CB HIS A 83 -0.354 1.828 3.680 1.00 0.92 C ATOM 1287 CG HIS A 83 -1.306 2.546 4.602 1.00 0.95 C ATOM 1288 ND1 HIS A 83 -1.265 3.873 4.978 1.00 1.09 N ATOM 1289 CD2 HIS A 83 -2.345 1.975 5.281 1.00 0.91 C ATOM 1290 CE1 HIS A 83 -2.246 4.085 5.867 1.00 1.09 C ATOM 1291 NE2 HIS A 83 -2.919 2.946 6.100 1.00 0.98 N ATOM 0 H HIS A 83 -1.411 3.899 1.659 1.00 0.84 H new ATOM 0 HA HIS A 83 0.160 1.493 1.633 1.00 0.88 H new ATOM 0 HB2 HIS A 83 -0.409 0.759 3.888 1.00 0.92 H new ATOM 0 HB3 HIS A 83 0.662 2.147 3.913 1.00 0.92 H new ATOM 0 HD2 HIS A 83 -2.667 0.947 5.198 1.00 0.91 H new ATOM 0 HE1 HIS A 83 -2.464 5.036 6.330 1.00 1.09 H new ATOM 0 HE2 HIS A 83 -3.696 2.817 6.748 1.00 0.98 H new ATOM 1299 N PHE A 84 -2.129 0.186 1.743 1.00 0.89 N ATOM 1300 CA PHE A 84 -3.452 -0.412 1.623 1.00 0.86 C ATOM 1301 C PHE A 84 -3.971 -0.734 3.013 1.00 0.81 C ATOM 1302 O PHE A 84 -3.302 -1.450 3.757 1.00 0.87 O ATOM 1303 CB PHE A 84 -3.409 -1.663 0.745 1.00 0.95 C ATOM 1304 CG PHE A 84 -3.128 -1.352 -0.706 1.00 0.91 C ATOM 1305 CD1 PHE A 84 -4.121 -0.718 -1.471 1.00 2.12 C ATOM 1306 CD2 PHE A 84 -1.882 -1.659 -1.283 1.00 1.62 C ATOM 1307 CE1 PHE A 84 -3.869 -0.399 -2.812 1.00 2.05 C ATOM 1308 CE2 PHE A 84 -1.627 -1.322 -2.623 1.00 1.62 C ATOM 1309 CZ PHE A 84 -2.616 -0.677 -3.385 1.00 0.79 C ATOM 0 H PHE A 84 -1.367 -0.485 1.843 1.00 0.89 H new ATOM 0 HA PHE A 84 -4.129 0.294 1.141 1.00 0.86 H new ATOM 0 HB2 PHE A 84 -2.642 -2.339 1.122 1.00 0.95 H new ATOM 0 HB3 PHE A 84 -4.361 -2.187 0.821 1.00 0.95 H new ATOM 0 HD1 PHE A 84 -5.076 -0.477 -1.027 1.00 2.12 H new ATOM 0 HD2 PHE A 84 -1.122 -2.153 -0.696 1.00 1.62 H new ATOM 0 HE1 PHE A 84 -4.642 0.063 -3.409 1.00 2.05 H new ATOM 0 HE2 PHE A 84 -0.671 -1.559 -3.067 1.00 1.62 H new ATOM 0 HZ PHE A 84 -2.414 -0.396 -4.408 1.00 0.79 H new ATOM 1319 N MET A 85 -5.170 -0.248 3.325 1.00 0.76 N ATOM 1320 CA MET A 85 -5.976 -0.701 4.456 1.00 0.77 C ATOM 1321 C MET A 85 -6.717 -1.972 4.066 1.00 0.74 C ATOM 1322 O MET A 85 -7.478 -1.992 3.101 1.00 0.83 O ATOM 1323 CB MET A 85 -6.955 0.400 4.904 1.00 0.84 C ATOM 1324 CG MET A 85 -6.394 1.199 6.080 1.00 0.86 C ATOM 1325 SD MET A 85 -6.212 0.232 7.604 1.00 1.10 S ATOM 1326 CE MET A 85 -4.409 0.193 7.675 1.00 0.80 C ATOM 0 H MET A 85 -5.620 0.491 2.784 1.00 0.76 H new ATOM 0 HA MET A 85 -5.323 -0.918 5.302 1.00 0.77 H new ATOM 0 HB2 MET A 85 -7.157 1.071 4.069 1.00 0.84 H new ATOM 0 HB3 MET A 85 -7.906 -0.050 5.188 1.00 0.84 H new ATOM 0 HG2 MET A 85 -5.422 1.605 5.800 1.00 0.86 H new ATOM 0 HG3 MET A 85 -7.049 2.048 6.276 1.00 0.86 H new ATOM 0 HE1 MET A 85 -4.086 -0.690 8.227 1.00 0.80 H new ATOM 0 HE2 MET A 85 -4.006 0.156 6.663 1.00 0.80 H new ATOM 0 HE3 MET A 85 -4.045 1.089 8.178 1.00 0.80 H new ATOM 1336 N LEU A 86 -6.457 -3.036 4.817 1.00 0.68 N ATOM 1337 CA LEU A 86 -6.991 -4.371 4.592 1.00 0.61 C ATOM 1338 C LEU A 86 -7.959 -4.690 5.731 1.00 0.53 C ATOM 1339 O LEU A 86 -7.529 -4.805 6.879 1.00 0.62 O ATOM 1340 CB LEU A 86 -5.818 -5.372 4.551 1.00 0.66 C ATOM 1341 CG LEU A 86 -4.723 -5.095 3.497 1.00 0.86 C ATOM 1342 CD1 LEU A 86 -3.672 -6.211 3.556 1.00 1.47 C ATOM 1343 CD2 LEU A 86 -5.288 -4.993 2.073 1.00 1.47 C ATOM 0 H LEU A 86 -5.844 -2.989 5.631 1.00 0.68 H new ATOM 0 HA LEU A 86 -7.527 -4.436 3.645 1.00 0.61 H new ATOM 0 HB2 LEU A 86 -5.350 -5.392 5.535 1.00 0.66 H new ATOM 0 HB3 LEU A 86 -6.223 -6.368 4.371 1.00 0.66 H new ATOM 0 HG LEU A 86 -4.274 -4.131 3.734 1.00 0.86 H new ATOM 0 HD11 LEU A 86 -2.897 -6.020 2.814 1.00 1.47 H new ATOM 0 HD12 LEU A 86 -3.225 -6.237 4.550 1.00 1.47 H new ATOM 0 HD13 LEU A 86 -4.147 -7.169 3.346 1.00 1.47 H new ATOM 0 HD21 LEU A 86 -4.476 -4.798 1.373 1.00 1.47 H new ATOM 0 HD22 LEU A 86 -5.778 -5.930 1.808 1.00 1.47 H new ATOM 0 HD23 LEU A 86 -6.011 -4.179 2.026 1.00 1.47 H new ATOM 1355 N LEU A 87 -9.254 -4.808 5.423 1.00 0.63 N ATOM 1356 CA LEU A 87 -10.319 -5.179 6.358 1.00 0.64 C ATOM 1357 C LEU A 87 -10.784 -6.609 6.055 1.00 0.64 C ATOM 1358 O LEU A 87 -10.941 -6.988 4.889 1.00 0.86 O ATOM 1359 CB LEU A 87 -11.523 -4.217 6.222 1.00 0.84 C ATOM 1360 CG LEU A 87 -11.370 -2.738 6.640 1.00 1.05 C ATOM 1361 CD1 LEU A 87 -10.971 -2.605 8.110 1.00 1.35 C ATOM 1362 CD2 LEU A 87 -10.390 -1.940 5.776 1.00 2.72 C ATOM 0 H LEU A 87 -9.602 -4.641 4.479 1.00 0.63 H new ATOM 0 HA LEU A 87 -9.929 -5.116 7.374 1.00 0.64 H new ATOM 0 HB2 LEU A 87 -11.834 -4.230 5.177 1.00 0.84 H new ATOM 0 HB3 LEU A 87 -12.343 -4.637 6.804 1.00 0.84 H new ATOM 0 HG LEU A 87 -12.359 -2.307 6.484 1.00 1.05 H new ATOM 0 HD11 LEU A 87 -10.873 -1.550 8.366 1.00 1.35 H new ATOM 0 HD12 LEU A 87 -11.736 -3.061 8.738 1.00 1.35 H new ATOM 0 HD13 LEU A 87 -10.019 -3.109 8.275 1.00 1.35 H new ATOM 0 HD21 LEU A 87 -10.341 -0.912 6.136 1.00 2.72 H new ATOM 0 HD22 LEU A 87 -9.400 -2.393 5.836 1.00 2.72 H new ATOM 0 HD23 LEU A 87 -10.730 -1.946 4.740 1.00 2.72 H new ATOM 1374 N GLY A 88 -11.047 -7.395 7.104 1.00 0.62 N ATOM 1375 CA GLY A 88 -11.489 -8.788 6.966 1.00 0.72 C ATOM 1376 C GLY A 88 -10.321 -9.681 6.566 1.00 0.77 C ATOM 1377 O GLY A 88 -10.282 -10.184 5.444 1.00 1.29 O ATOM 0 H GLY A 88 -10.960 -7.085 8.072 1.00 0.62 H new ATOM 0 HA2 GLY A 88 -11.915 -9.136 7.907 1.00 0.72 H new ATOM 0 HA3 GLY A 88 -12.278 -8.853 6.216 1.00 0.72 H new ATOM 1381 N LEU A 89 -9.339 -9.835 7.455 1.00 0.77 N ATOM 1382 CA LEU A 89 -8.125 -10.605 7.178 1.00 0.86 C ATOM 1383 C LEU A 89 -8.444 -12.102 7.095 1.00 0.96 C ATOM 1384 O LEU A 89 -8.955 -12.695 8.041 1.00 1.09 O ATOM 1385 CB LEU A 89 -7.058 -10.313 8.247 1.00 1.00 C ATOM 1386 CG LEU A 89 -6.716 -8.826 8.463 1.00 0.93 C ATOM 1387 CD1 LEU A 89 -5.599 -8.739 9.508 1.00 1.21 C ATOM 1388 CD2 LEU A 89 -6.293 -8.114 7.167 1.00 0.96 C ATOM 0 H LEU A 89 -9.363 -9.428 8.390 1.00 0.77 H new ATOM 0 HA LEU A 89 -7.724 -10.301 6.211 1.00 0.86 H new ATOM 0 HB2 LEU A 89 -7.397 -10.730 9.195 1.00 1.00 H new ATOM 0 HB3 LEU A 89 -6.144 -10.841 7.975 1.00 1.00 H new ATOM 0 HG LEU A 89 -7.614 -8.315 8.808 1.00 0.93 H new ATOM 0 HD11 LEU A 89 -5.340 -7.694 9.677 1.00 1.21 H new ATOM 0 HD12 LEU A 89 -5.940 -9.185 10.443 1.00 1.21 H new ATOM 0 HD13 LEU A 89 -4.722 -9.277 9.148 1.00 1.21 H new ATOM 0 HD21 LEU A 89 -6.065 -7.070 7.383 1.00 0.96 H new ATOM 0 HD22 LEU A 89 -5.409 -8.601 6.756 1.00 0.96 H new ATOM 0 HD23 LEU A 89 -7.105 -8.165 6.442 1.00 0.96 H new ATOM 1400 N LYS A 90 -8.106 -12.742 5.973 1.00 1.05 N ATOM 1401 CA LYS A 90 -8.490 -14.134 5.669 1.00 1.10 C ATOM 1402 C LYS A 90 -7.548 -15.178 6.310 1.00 1.21 C ATOM 1403 O LYS A 90 -7.467 -16.321 5.858 1.00 1.33 O ATOM 1404 CB LYS A 90 -8.676 -14.287 4.143 1.00 1.19 C ATOM 1405 CG LYS A 90 -9.772 -13.325 3.652 1.00 1.05 C ATOM 1406 CD LYS A 90 -10.190 -13.520 2.190 1.00 1.24 C ATOM 1407 CE LYS A 90 -11.431 -12.659 1.930 1.00 1.45 C ATOM 1408 NZ LYS A 90 -11.681 -12.421 0.493 1.00 1.37 N ATOM 0 H LYS A 90 -7.550 -12.307 5.236 1.00 1.05 H new ATOM 0 HA LYS A 90 -9.450 -14.350 6.139 1.00 1.10 H new ATOM 0 HB2 LYS A 90 -7.738 -14.076 3.630 1.00 1.19 H new ATOM 0 HB3 LYS A 90 -8.947 -15.315 3.902 1.00 1.19 H new ATOM 0 HG2 LYS A 90 -10.651 -13.444 4.286 1.00 1.05 H new ATOM 0 HG3 LYS A 90 -9.422 -12.301 3.782 1.00 1.05 H new ATOM 0 HD2 LYS A 90 -9.380 -13.231 1.521 1.00 1.24 H new ATOM 0 HD3 LYS A 90 -10.407 -14.570 1.993 1.00 1.24 H new ATOM 0 HE2 LYS A 90 -12.302 -13.146 2.368 1.00 1.45 H new ATOM 0 HE3 LYS A 90 -11.313 -11.701 2.436 1.00 1.45 H new ATOM 0 HZ1 LYS A 90 -12.040 -11.454 0.358 1.00 1.37 H new ATOM 0 HZ2 LYS A 90 -10.794 -12.538 -0.038 1.00 1.37 H new ATOM 0 HZ3 LYS A 90 -12.385 -13.103 0.146 1.00 1.37 H new ATOM 1422 N ARG A 91 -6.815 -14.738 7.340 1.00 1.54 N ATOM 1423 CA ARG A 91 -5.778 -15.382 8.147 1.00 1.67 C ATOM 1424 C ARG A 91 -5.186 -14.319 9.097 1.00 1.61 C ATOM 1425 O ARG A 91 -5.195 -13.142 8.730 1.00 1.57 O ATOM 1426 CB ARG A 91 -4.673 -15.968 7.242 1.00 1.83 C ATOM 1427 CG ARG A 91 -4.012 -14.895 6.348 1.00 2.71 C ATOM 1428 CD ARG A 91 -3.045 -15.497 5.336 1.00 2.81 C ATOM 1429 NE ARG A 91 -3.755 -16.275 4.302 1.00 2.85 N ATOM 1430 CZ ARG A 91 -3.192 -16.801 3.218 1.00 3.56 C ATOM 1431 NH1 ARG A 91 -1.898 -16.764 3.015 1.00 4.28 N ATOM 1432 NH2 ARG A 91 -3.936 -17.385 2.300 1.00 4.46 N ATOM 0 H ARG A 91 -6.960 -13.784 7.671 1.00 1.54 H new ATOM 0 HA ARG A 91 -6.207 -16.204 8.720 1.00 1.67 H new ATOM 0 HB2 ARG A 91 -3.911 -16.439 7.863 1.00 1.83 H new ATOM 0 HB3 ARG A 91 -5.099 -16.749 6.612 1.00 1.83 H new ATOM 0 HG2 ARG A 91 -4.786 -14.339 5.820 1.00 2.71 H new ATOM 0 HG3 ARG A 91 -3.479 -14.181 6.976 1.00 2.71 H new ATOM 0 HD2 ARG A 91 -2.471 -14.701 4.863 1.00 2.81 H new ATOM 0 HD3 ARG A 91 -2.332 -16.141 5.851 1.00 2.81 H new ATOM 0 HE ARG A 91 -4.757 -16.421 4.429 1.00 2.85 H new ATOM 0 HH11 ARG A 91 -1.287 -16.321 3.701 1.00 4.28 H new ATOM 0 HH12 ARG A 91 -1.502 -17.178 2.171 1.00 4.28 H new ATOM 0 HH21 ARG A 91 -4.948 -17.435 2.419 1.00 4.46 H new ATOM 0 HH22 ARG A 91 -3.500 -17.787 1.470 1.00 4.46 H new ATOM 1446 N PRO A 92 -4.590 -14.686 10.245 1.00 1.72 N ATOM 1447 CA PRO A 92 -3.480 -13.902 10.766 1.00 1.63 C ATOM 1448 C PRO A 92 -2.339 -14.029 9.751 1.00 1.38 C ATOM 1449 O PRO A 92 -2.073 -15.132 9.274 1.00 1.46 O ATOM 1450 CB PRO A 92 -3.136 -14.532 12.112 1.00 1.98 C ATOM 1451 CG PRO A 92 -3.539 -16.001 11.941 1.00 2.10 C ATOM 1452 CD PRO A 92 -4.695 -15.964 10.936 1.00 2.00 C ATOM 0 HA PRO A 92 -3.692 -12.842 10.907 1.00 1.63 H new ATOM 0 HB2 PRO A 92 -2.075 -14.432 12.341 1.00 1.98 H new ATOM 0 HB3 PRO A 92 -3.684 -14.059 12.927 1.00 1.98 H new ATOM 0 HG2 PRO A 92 -2.708 -16.600 11.569 1.00 2.10 H new ATOM 0 HG3 PRO A 92 -3.850 -16.441 12.889 1.00 2.10 H new ATOM 0 HD2 PRO A 92 -4.626 -16.794 10.233 1.00 2.00 H new ATOM 0 HD3 PRO A 92 -5.655 -16.055 11.443 1.00 2.00 H new ATOM 1460 N LEU A 93 -1.694 -12.916 9.386 1.00 1.37 N ATOM 1461 CA LEU A 93 -0.651 -12.930 8.352 1.00 1.38 C ATOM 1462 C LEU A 93 0.514 -13.805 8.825 1.00 1.50 C ATOM 1463 O LEU A 93 1.167 -13.521 9.832 1.00 1.80 O ATOM 1464 CB LEU A 93 -0.143 -11.521 7.989 1.00 1.41 C ATOM 1465 CG LEU A 93 -1.111 -10.500 7.355 1.00 1.63 C ATOM 1466 CD1 LEU A 93 -1.784 -11.059 6.097 1.00 1.63 C ATOM 1467 CD2 LEU A 93 -2.175 -9.968 8.323 1.00 2.42 C ATOM 0 H LEU A 93 -1.874 -11.996 9.789 1.00 1.37 H new ATOM 0 HA LEU A 93 -1.094 -13.341 7.445 1.00 1.38 H new ATOM 0 HB2 LEU A 93 0.253 -11.072 8.900 1.00 1.41 H new ATOM 0 HB3 LEU A 93 0.696 -11.644 7.304 1.00 1.41 H new ATOM 0 HG LEU A 93 -0.481 -9.654 7.080 1.00 1.63 H new ATOM 0 HD11 LEU A 93 -2.457 -10.310 5.681 1.00 1.63 H new ATOM 0 HD12 LEU A 93 -1.023 -11.312 5.359 1.00 1.63 H new ATOM 0 HD13 LEU A 93 -2.351 -11.953 6.355 1.00 1.63 H new ATOM 0 HD21 LEU A 93 -2.816 -9.256 7.803 1.00 2.42 H new ATOM 0 HD22 LEU A 93 -2.778 -10.797 8.692 1.00 2.42 H new ATOM 0 HD23 LEU A 93 -1.688 -9.472 9.162 1.00 2.42 H new ATOM 1479 N LYS A 94 0.777 -14.896 8.114 1.00 1.62 N ATOM 1480 CA LYS A 94 1.755 -15.889 8.529 1.00 1.90 C ATOM 1481 C LYS A 94 3.177 -15.319 8.381 1.00 1.64 C ATOM 1482 O LYS A 94 3.710 -15.210 7.279 1.00 2.00 O ATOM 1483 CB LYS A 94 1.432 -17.178 7.739 1.00 2.55 C ATOM 1484 CG LYS A 94 2.571 -18.143 7.398 1.00 3.17 C ATOM 1485 CD LYS A 94 3.097 -18.899 8.616 1.00 2.69 C ATOM 1486 CE LYS A 94 4.394 -19.674 8.318 1.00 3.63 C ATOM 1487 NZ LYS A 94 4.396 -20.340 6.989 1.00 4.38 N ATOM 0 H LYS A 94 0.315 -15.115 7.231 1.00 1.62 H new ATOM 0 HA LYS A 94 1.705 -16.149 9.586 1.00 1.90 H new ATOM 0 HB2 LYS A 94 0.688 -17.735 8.308 1.00 2.55 H new ATOM 0 HB3 LYS A 94 0.961 -16.881 6.802 1.00 2.55 H new ATOM 0 HG2 LYS A 94 2.222 -18.860 6.655 1.00 3.17 H new ATOM 0 HG3 LYS A 94 3.389 -17.585 6.943 1.00 3.17 H new ATOM 0 HD2 LYS A 94 3.278 -18.193 9.427 1.00 2.69 H new ATOM 0 HD3 LYS A 94 2.334 -19.595 8.964 1.00 2.69 H new ATOM 0 HE2 LYS A 94 5.239 -18.987 8.372 1.00 3.63 H new ATOM 0 HE3 LYS A 94 4.544 -20.426 9.092 1.00 3.63 H new ATOM 0 HZ1 LYS A 94 4.982 -21.198 7.032 1.00 4.38 H new ATOM 0 HZ2 LYS A 94 3.423 -20.598 6.728 1.00 4.38 H new ATOM 0 HZ3 LYS A 94 4.785 -19.691 6.276 1.00 4.38 H new ATOM 1501 N ALA A 95 3.840 -15.004 9.499 1.00 1.39 N ATOM 1502 CA ALA A 95 5.290 -14.779 9.502 1.00 1.30 C ATOM 1503 C ALA A 95 5.999 -15.985 8.849 1.00 1.34 C ATOM 1504 O ALA A 95 5.890 -17.112 9.338 1.00 1.49 O ATOM 1505 CB ALA A 95 5.755 -14.518 10.939 1.00 1.52 C ATOM 0 H ALA A 95 3.397 -14.899 10.412 1.00 1.39 H new ATOM 0 HA ALA A 95 5.550 -13.900 8.912 1.00 1.30 H new ATOM 0 HB1 ALA A 95 6.832 -14.350 10.948 1.00 1.52 H new ATOM 0 HB2 ALA A 95 5.247 -13.637 11.331 1.00 1.52 H new ATOM 0 HB3 ALA A 95 5.517 -15.381 11.561 1.00 1.52 H new ATOM 1511 N GLY A 96 6.649 -15.762 7.702 1.00 1.38 N ATOM 1512 CA GLY A 96 7.099 -16.839 6.814 1.00 1.58 C ATOM 1513 C GLY A 96 6.052 -17.270 5.776 1.00 1.58 C ATOM 1514 O GLY A 96 5.943 -18.467 5.506 1.00 2.18 O ATOM 0 H GLY A 96 6.878 -14.828 7.363 1.00 1.38 H new ATOM 0 HA2 GLY A 96 8.000 -16.514 6.293 1.00 1.58 H new ATOM 0 HA3 GLY A 96 7.374 -17.703 7.418 1.00 1.58 H new ATOM 1518 N GLU A 97 5.286 -16.342 5.197 1.00 1.23 N ATOM 1519 CA GLU A 97 4.758 -16.440 3.852 1.00 1.26 C ATOM 1520 C GLU A 97 4.944 -15.090 3.153 1.00 1.02 C ATOM 1521 O GLU A 97 5.445 -14.119 3.746 1.00 0.98 O ATOM 1522 CB GLU A 97 3.283 -16.866 3.878 1.00 1.58 C ATOM 1523 CG GLU A 97 2.267 -15.761 4.233 1.00 2.23 C ATOM 1524 CD GLU A 97 0.840 -16.277 4.375 1.00 2.47 C ATOM 1525 OE1 GLU A 97 0.610 -17.491 4.192 1.00 2.71 O ATOM 1526 OE2 GLU A 97 -0.056 -15.484 4.747 1.00 3.46 O ATOM 0 H GLU A 97 5.014 -15.481 5.672 1.00 1.23 H new ATOM 0 HA GLU A 97 5.299 -17.205 3.295 1.00 1.26 H new ATOM 0 HB2 GLU A 97 3.024 -17.269 2.899 1.00 1.58 H new ATOM 0 HB3 GLU A 97 3.172 -17.678 4.596 1.00 1.58 H new ATOM 0 HG2 GLU A 97 2.569 -15.286 5.166 1.00 2.23 H new ATOM 0 HG3 GLU A 97 2.293 -14.992 3.461 1.00 2.23 H new ATOM 1533 N GLU A 98 4.482 -15.024 1.909 1.00 1.17 N ATOM 1534 CA GLU A 98 4.314 -13.777 1.192 1.00 1.27 C ATOM 1535 C GLU A 98 2.842 -13.530 0.884 1.00 1.09 C ATOM 1536 O GLU A 98 2.055 -14.450 0.669 1.00 1.21 O ATOM 1537 CB GLU A 98 5.105 -13.785 -0.111 1.00 1.87 C ATOM 1538 CG GLU A 98 6.603 -13.986 0.115 1.00 2.54 C ATOM 1539 CD GLU A 98 7.394 -13.388 -1.037 1.00 3.74 C ATOM 1540 OE1 GLU A 98 7.353 -12.141 -1.159 1.00 5.06 O ATOM 1541 OE2 GLU A 98 8.032 -14.172 -1.765 1.00 3.97 O ATOM 0 H GLU A 98 4.212 -15.847 1.369 1.00 1.17 H new ATOM 0 HA GLU A 98 4.690 -12.977 1.830 1.00 1.27 H new ATOM 0 HB2 GLU A 98 4.728 -14.579 -0.756 1.00 1.87 H new ATOM 0 HB3 GLU A 98 4.943 -12.844 -0.636 1.00 1.87 H new ATOM 0 HG2 GLU A 98 6.902 -13.518 1.053 1.00 2.54 H new ATOM 0 HG3 GLU A 98 6.825 -15.049 0.204 1.00 2.54 H new ATOM 1548 N VAL A 99 2.506 -12.253 0.818 1.00 1.12 N ATOM 1549 CA VAL A 99 1.221 -11.729 0.383 1.00 1.05 C ATOM 1550 C VAL A 99 1.289 -11.503 -1.117 1.00 0.94 C ATOM 1551 O VAL A 99 1.992 -10.606 -1.583 1.00 0.97 O ATOM 1552 CB VAL A 99 0.910 -10.421 1.138 1.00 1.09 C ATOM 1553 CG1 VAL A 99 -0.317 -9.680 0.555 1.00 1.09 C ATOM 1554 CG2 VAL A 99 0.729 -10.782 2.628 1.00 1.21 C ATOM 0 H VAL A 99 3.157 -11.513 1.081 1.00 1.12 H new ATOM 0 HA VAL A 99 0.418 -12.433 0.603 1.00 1.05 H new ATOM 0 HB VAL A 99 1.735 -9.718 1.023 1.00 1.09 H new ATOM 0 HG11 VAL A 99 -0.493 -8.766 1.122 1.00 1.09 H new ATOM 0 HG12 VAL A 99 -0.128 -9.429 -0.489 1.00 1.09 H new ATOM 0 HG13 VAL A 99 -1.195 -10.323 0.620 1.00 1.09 H new ATOM 0 HG21 VAL A 99 0.507 -9.879 3.197 1.00 1.21 H new ATOM 0 HG22 VAL A 99 -0.094 -11.489 2.734 1.00 1.21 H new ATOM 0 HG23 VAL A 99 1.646 -11.233 3.007 1.00 1.21 H new ATOM 1564 N GLU A 100 0.507 -12.286 -1.860 1.00 0.88 N ATOM 1565 CA GLU A 100 0.132 -11.929 -3.228 1.00 0.87 C ATOM 1566 C GLU A 100 -0.756 -10.682 -3.205 1.00 0.82 C ATOM 1567 O GLU A 100 -1.678 -10.573 -2.388 1.00 0.97 O ATOM 1568 CB GLU A 100 -0.635 -13.052 -3.939 1.00 1.05 C ATOM 1569 CG GLU A 100 0.252 -14.160 -4.512 1.00 1.16 C ATOM 1570 CD GLU A 100 -0.552 -14.958 -5.535 1.00 1.76 C ATOM 1571 OE1 GLU A 100 -0.755 -14.421 -6.649 1.00 2.33 O ATOM 1572 OE2 GLU A 100 -1.045 -16.047 -5.189 1.00 2.94 O ATOM 0 H GLU A 100 0.120 -13.173 -1.537 1.00 0.88 H new ATOM 0 HA GLU A 100 1.057 -11.748 -3.775 1.00 0.87 H new ATOM 0 HB2 GLU A 100 -1.340 -13.495 -3.236 1.00 1.05 H new ATOM 0 HB3 GLU A 100 -1.222 -12.618 -4.749 1.00 1.05 H new ATOM 0 HG2 GLU A 100 1.137 -13.730 -4.981 1.00 1.16 H new ATOM 0 HG3 GLU A 100 0.601 -14.815 -3.713 1.00 1.16 H new ATOM 1579 N LEU A 101 -0.496 -9.766 -4.140 1.00 0.77 N ATOM 1580 CA LEU A 101 -1.229 -8.514 -4.294 1.00 0.70 C ATOM 1581 C LEU A 101 -1.268 -8.048 -5.752 1.00 0.67 C ATOM 1582 O LEU A 101 -0.258 -8.012 -6.454 1.00 0.69 O ATOM 1583 CB LEU A 101 -0.626 -7.452 -3.357 1.00 0.76 C ATOM 1584 CG LEU A 101 -1.496 -7.160 -2.132 1.00 1.08 C ATOM 1585 CD1 LEU A 101 -0.676 -6.414 -1.100 1.00 1.49 C ATOM 1586 CD2 LEU A 101 -2.698 -6.261 -2.460 1.00 1.54 C ATOM 0 H LEU A 101 0.249 -9.880 -4.827 1.00 0.77 H new ATOM 0 HA LEU A 101 -2.268 -8.677 -4.009 1.00 0.70 H new ATOM 0 HB2 LEU A 101 0.357 -7.787 -3.024 1.00 0.76 H new ATOM 0 HB3 LEU A 101 -0.476 -6.528 -3.916 1.00 0.76 H new ATOM 0 HG LEU A 101 -1.852 -8.125 -1.770 1.00 1.08 H new ATOM 0 HD11 LEU A 101 -1.294 -6.205 -0.227 1.00 1.49 H new ATOM 0 HD12 LEU A 101 0.177 -7.024 -0.803 1.00 1.49 H new ATOM 0 HD13 LEU A 101 -0.321 -5.476 -1.526 1.00 1.49 H new ATOM 0 HD21 LEU A 101 -3.280 -6.087 -1.555 1.00 1.54 H new ATOM 0 HD22 LEU A 101 -2.343 -5.308 -2.852 1.00 1.54 H new ATOM 0 HD23 LEU A 101 -3.325 -6.750 -3.206 1.00 1.54 H new ATOM 1598 N ASP A 102 -2.462 -7.663 -6.181 1.00 0.71 N ATOM 1599 CA ASP A 102 -2.853 -7.407 -7.563 1.00 0.64 C ATOM 1600 C ASP A 102 -3.234 -5.925 -7.713 1.00 0.72 C ATOM 1601 O ASP A 102 -4.383 -5.532 -7.507 1.00 0.97 O ATOM 1602 CB ASP A 102 -3.995 -8.382 -7.916 1.00 0.85 C ATOM 1603 CG ASP A 102 -3.524 -9.846 -8.064 1.00 1.38 C ATOM 1604 OD1 ASP A 102 -2.881 -10.379 -7.134 1.00 2.63 O ATOM 1605 OD2 ASP A 102 -3.763 -10.470 -9.122 1.00 1.76 O ATOM 0 H ASP A 102 -3.234 -7.511 -5.532 1.00 0.71 H new ATOM 0 HA ASP A 102 -2.038 -7.584 -8.265 1.00 0.64 H new ATOM 0 HB2 ASP A 102 -4.760 -8.330 -7.141 1.00 0.85 H new ATOM 0 HB3 ASP A 102 -4.462 -8.062 -8.847 1.00 0.85 H new ATOM 1610 N LEU A 103 -2.225 -5.093 -7.998 1.00 0.68 N ATOM 1611 CA LEU A 103 -2.277 -3.629 -8.027 1.00 0.66 C ATOM 1612 C LEU A 103 -3.122 -3.130 -9.207 1.00 0.63 C ATOM 1613 O LEU A 103 -2.848 -3.470 -10.357 1.00 0.67 O ATOM 1614 CB LEU A 103 -0.839 -3.075 -8.137 1.00 0.70 C ATOM 1615 CG LEU A 103 0.209 -3.633 -7.151 1.00 0.79 C ATOM 1616 CD1 LEU A 103 1.579 -3.031 -7.496 1.00 1.05 C ATOM 1617 CD2 LEU A 103 -0.153 -3.349 -5.687 1.00 1.11 C ATOM 0 H LEU A 103 -1.296 -5.446 -8.228 1.00 0.68 H new ATOM 0 HA LEU A 103 -2.743 -3.275 -7.107 1.00 0.66 H new ATOM 0 HB2 LEU A 103 -0.482 -3.260 -9.150 1.00 0.70 H new ATOM 0 HB3 LEU A 103 -0.883 -1.994 -8.007 1.00 0.70 H new ATOM 0 HG LEU A 103 0.235 -4.718 -7.256 1.00 0.79 H new ATOM 0 HD11 LEU A 103 2.330 -3.417 -6.807 1.00 1.05 H new ATOM 0 HD12 LEU A 103 1.849 -3.303 -8.516 1.00 1.05 H new ATOM 0 HD13 LEU A 103 1.531 -1.945 -7.410 1.00 1.05 H new ATOM 0 HD21 LEU A 103 0.617 -3.762 -5.035 1.00 1.11 H new ATOM 0 HD22 LEU A 103 -0.221 -2.272 -5.531 1.00 1.11 H new ATOM 0 HD23 LEU A 103 -1.113 -3.810 -5.453 1.00 1.11 H new ATOM 1629 N LEU A 104 -4.133 -2.300 -8.924 1.00 0.59 N ATOM 1630 CA LEU A 104 -5.090 -1.788 -9.912 1.00 0.58 C ATOM 1631 C LEU A 104 -4.662 -0.424 -10.450 1.00 0.53 C ATOM 1632 O LEU A 104 -4.278 0.478 -9.693 1.00 0.46 O ATOM 1633 CB LEU A 104 -6.506 -1.658 -9.316 1.00 0.63 C ATOM 1634 CG LEU A 104 -7.061 -2.882 -8.579 1.00 0.73 C ATOM 1635 CD1 LEU A 104 -8.477 -2.578 -8.082 1.00 0.80 C ATOM 1636 CD2 LEU A 104 -7.064 -4.150 -9.437 1.00 0.82 C ATOM 0 H LEU A 104 -4.312 -1.958 -7.980 1.00 0.59 H new ATOM 0 HA LEU A 104 -5.106 -2.512 -10.727 1.00 0.58 H new ATOM 0 HB2 LEU A 104 -6.507 -0.816 -8.624 1.00 0.63 H new ATOM 0 HB3 LEU A 104 -7.193 -1.408 -10.124 1.00 0.63 H new ATOM 0 HG LEU A 104 -6.398 -3.080 -7.737 1.00 0.73 H new ATOM 0 HD11 LEU A 104 -8.873 -3.448 -7.558 1.00 0.80 H new ATOM 0 HD12 LEU A 104 -8.449 -1.726 -7.403 1.00 0.80 H new ATOM 0 HD13 LEU A 104 -9.118 -2.343 -8.932 1.00 0.80 H new ATOM 0 HD21 LEU A 104 -7.468 -4.980 -8.858 1.00 0.82 H new ATOM 0 HD22 LEU A 104 -7.681 -3.990 -10.321 1.00 0.82 H new ATOM 0 HD23 LEU A 104 -6.045 -4.384 -9.744 1.00 0.82 H new ATOM 1648 N PHE A 105 -4.822 -0.240 -11.757 1.00 0.67 N ATOM 1649 CA PHE A 105 -4.386 0.948 -12.482 1.00 0.67 C ATOM 1650 C PHE A 105 -5.473 1.439 -13.451 1.00 0.74 C ATOM 1651 O PHE A 105 -6.104 0.649 -14.151 1.00 0.96 O ATOM 1652 CB PHE A 105 -3.102 0.589 -13.232 1.00 0.76 C ATOM 1653 CG PHE A 105 -1.868 0.380 -12.376 1.00 0.69 C ATOM 1654 CD1 PHE A 105 -1.061 1.473 -12.016 1.00 1.68 C ATOM 1655 CD2 PHE A 105 -1.497 -0.920 -11.978 1.00 1.80 C ATOM 1656 CE1 PHE A 105 0.103 1.279 -11.255 1.00 1.74 C ATOM 1657 CE2 PHE A 105 -0.330 -1.113 -11.221 1.00 1.75 C ATOM 1658 CZ PHE A 105 0.469 -0.017 -10.855 1.00 0.71 C ATOM 0 H PHE A 105 -5.271 -0.932 -12.357 1.00 0.67 H new ATOM 0 HA PHE A 105 -4.199 1.764 -11.784 1.00 0.67 H new ATOM 0 HB2 PHE A 105 -3.281 -0.321 -13.804 1.00 0.76 H new ATOM 0 HB3 PHE A 105 -2.891 1.381 -13.951 1.00 0.76 H new ATOM 0 HD1 PHE A 105 -1.338 2.469 -12.327 1.00 1.68 H new ATOM 0 HD2 PHE A 105 -2.109 -1.766 -12.255 1.00 1.80 H new ATOM 0 HE1 PHE A 105 0.716 2.124 -10.978 1.00 1.74 H new ATOM 0 HE2 PHE A 105 -0.045 -2.110 -10.918 1.00 1.75 H new ATOM 0 HZ PHE A 105 1.362 -0.170 -10.268 1.00 0.71 H new ATOM 1668 N ALA A 106 -5.651 2.764 -13.504 1.00 0.69 N ATOM 1669 CA ALA A 106 -6.780 3.449 -14.143 1.00 0.77 C ATOM 1670 C ALA A 106 -7.070 2.947 -15.569 1.00 1.23 C ATOM 1671 O ALA A 106 -6.175 2.905 -16.423 1.00 1.79 O ATOM 1672 CB ALA A 106 -6.516 4.962 -14.119 1.00 1.34 C ATOM 0 H ALA A 106 -4.986 3.414 -13.086 1.00 0.69 H new ATOM 0 HA ALA A 106 -7.681 3.219 -13.574 1.00 0.77 H new ATOM 0 HB1 ALA A 106 -7.348 5.484 -14.591 1.00 1.34 H new ATOM 0 HB2 ALA A 106 -6.416 5.298 -13.087 1.00 1.34 H new ATOM 0 HB3 ALA A 106 -5.596 5.180 -14.662 1.00 1.34 H new ATOM 1678 N GLY A 107 -8.323 2.555 -15.819 1.00 1.98 N ATOM 1679 CA GLY A 107 -8.719 1.795 -17.005 1.00 2.63 C ATOM 1680 C GLY A 107 -8.582 0.290 -16.756 1.00 2.22 C ATOM 1681 O GLY A 107 -8.834 -0.183 -15.653 1.00 3.29 O ATOM 0 H GLY A 107 -9.101 2.761 -15.193 1.00 1.98 H new ATOM 0 HA2 GLY A 107 -9.750 2.033 -17.267 1.00 2.63 H new ATOM 0 HA3 GLY A 107 -8.099 2.086 -17.853 1.00 2.63 H new ATOM 1685 N GLY A 108 -8.211 -0.462 -17.797 1.00 1.79 N ATOM 1686 CA GLY A 108 -8.176 -1.934 -17.786 1.00 1.77 C ATOM 1687 C GLY A 108 -6.843 -2.565 -17.369 1.00 1.61 C ATOM 1688 O GLY A 108 -6.535 -3.659 -17.831 1.00 2.04 O ATOM 0 H GLY A 108 -7.921 -0.061 -18.689 1.00 1.79 H new ATOM 0 HA2 GLY A 108 -8.953 -2.292 -17.111 1.00 1.77 H new ATOM 0 HA3 GLY A 108 -8.430 -2.292 -18.784 1.00 1.77 H new ATOM 1692 N LYS A 109 -6.011 -1.907 -16.549 1.00 1.20 N ATOM 1693 CA LYS A 109 -4.745 -2.469 -16.085 1.00 1.08 C ATOM 1694 C LYS A 109 -4.850 -3.029 -14.653 1.00 1.03 C ATOM 1695 O LYS A 109 -5.232 -2.309 -13.736 1.00 0.99 O ATOM 1696 CB LYS A 109 -3.690 -1.358 -16.102 1.00 1.14 C ATOM 1697 CG LYS A 109 -3.053 -1.037 -17.456 1.00 1.53 C ATOM 1698 CD LYS A 109 -3.661 0.210 -18.117 1.00 2.87 C ATOM 1699 CE LYS A 109 -3.136 1.481 -17.428 1.00 3.48 C ATOM 1700 NZ LYS A 109 -3.851 2.701 -17.876 1.00 4.76 N ATOM 0 H LYS A 109 -6.201 -0.971 -16.192 1.00 1.20 H new ATOM 0 HA LYS A 109 -4.474 -3.292 -16.747 1.00 1.08 H new ATOM 0 HB2 LYS A 109 -4.149 -0.447 -15.717 1.00 1.14 H new ATOM 0 HB3 LYS A 109 -2.895 -1.633 -15.408 1.00 1.14 H new ATOM 0 HG2 LYS A 109 -1.982 -0.886 -17.322 1.00 1.53 H new ATOM 0 HG3 LYS A 109 -3.174 -1.892 -18.122 1.00 1.53 H new ATOM 0 HD2 LYS A 109 -3.407 0.230 -19.177 1.00 2.87 H new ATOM 0 HD3 LYS A 109 -4.748 0.173 -18.050 1.00 2.87 H new ATOM 0 HE2 LYS A 109 -3.242 1.376 -16.348 1.00 3.48 H new ATOM 0 HE3 LYS A 109 -2.071 1.590 -17.635 1.00 3.48 H new ATOM 0 HZ1 LYS A 109 -3.172 3.481 -17.987 1.00 4.76 H new ATOM 0 HZ2 LYS A 109 -4.317 2.516 -18.787 1.00 4.76 H new ATOM 0 HZ3 LYS A 109 -4.567 2.963 -17.169 1.00 4.76 H new ATOM 1714 N VAL A 110 -4.373 -4.253 -14.443 1.00 1.10 N ATOM 1715 CA VAL A 110 -4.043 -4.814 -13.133 1.00 0.99 C ATOM 1716 C VAL A 110 -2.779 -5.664 -13.252 1.00 1.08 C ATOM 1717 O VAL A 110 -2.701 -6.548 -14.104 1.00 1.41 O ATOM 1718 CB VAL A 110 -5.230 -5.594 -12.531 1.00 1.01 C ATOM 1719 CG1 VAL A 110 -5.927 -6.543 -13.520 1.00 1.28 C ATOM 1720 CG2 VAL A 110 -4.842 -6.365 -11.257 1.00 0.92 C ATOM 0 H VAL A 110 -4.199 -4.906 -15.207 1.00 1.10 H new ATOM 0 HA VAL A 110 -3.842 -4.002 -12.435 1.00 0.99 H new ATOM 0 HB VAL A 110 -5.950 -4.818 -12.271 1.00 1.01 H new ATOM 0 HG11 VAL A 110 -6.749 -7.052 -13.018 1.00 1.28 H new ATOM 0 HG12 VAL A 110 -6.315 -5.970 -14.362 1.00 1.28 H new ATOM 0 HG13 VAL A 110 -5.211 -7.281 -13.883 1.00 1.28 H new ATOM 0 HG21 VAL A 110 -5.713 -6.896 -10.874 1.00 0.92 H new ATOM 0 HG22 VAL A 110 -4.054 -7.081 -11.491 1.00 0.92 H new ATOM 0 HG23 VAL A 110 -4.484 -5.664 -10.503 1.00 0.92 H new ATOM 1730 N LEU A 111 -1.764 -5.327 -12.452 1.00 0.91 N ATOM 1731 CA LEU A 111 -0.442 -5.936 -12.451 1.00 0.96 C ATOM 1732 C LEU A 111 -0.178 -6.520 -11.061 1.00 0.91 C ATOM 1733 O LEU A 111 -0.157 -5.787 -10.073 1.00 1.01 O ATOM 1734 CB LEU A 111 0.599 -4.847 -12.749 1.00 1.14 C ATOM 1735 CG LEU A 111 0.684 -4.292 -14.184 1.00 1.34 C ATOM 1736 CD1 LEU A 111 1.189 -5.354 -15.173 1.00 3.02 C ATOM 1737 CD2 LEU A 111 -0.581 -3.623 -14.744 1.00 2.87 C ATOM 0 H LEU A 111 -1.851 -4.586 -11.756 1.00 0.91 H new ATOM 0 HA LEU A 111 -0.381 -6.723 -13.203 1.00 0.96 H new ATOM 0 HB2 LEU A 111 0.405 -4.009 -12.079 1.00 1.14 H new ATOM 0 HB3 LEU A 111 1.580 -5.244 -12.487 1.00 1.14 H new ATOM 0 HG LEU A 111 1.407 -3.482 -14.083 1.00 1.34 H new ATOM 0 HD11 LEU A 111 1.236 -4.926 -16.174 1.00 3.02 H new ATOM 0 HD12 LEU A 111 2.183 -5.686 -14.874 1.00 3.02 H new ATOM 0 HD13 LEU A 111 0.507 -6.204 -15.173 1.00 3.02 H new ATOM 0 HD21 LEU A 111 -0.390 -3.276 -15.759 1.00 2.87 H new ATOM 0 HD22 LEU A 111 -1.399 -4.343 -14.755 1.00 2.87 H new ATOM 0 HD23 LEU A 111 -0.853 -2.775 -14.116 1.00 2.87 H new ATOM 1749 N LYS A 112 0.047 -7.830 -10.969 1.00 0.94 N ATOM 1750 CA LYS A 112 0.288 -8.484 -9.683 1.00 1.02 C ATOM 1751 C LYS A 112 1.768 -8.574 -9.287 1.00 1.01 C ATOM 1752 O LYS A 112 2.653 -8.725 -10.128 1.00 1.29 O ATOM 1753 CB LYS A 112 -0.462 -9.820 -9.633 1.00 1.31 C ATOM 1754 CG LYS A 112 0.061 -10.905 -10.581 1.00 1.72 C ATOM 1755 CD LYS A 112 -0.832 -12.157 -10.568 1.00 1.74 C ATOM 1756 CE LYS A 112 -0.768 -12.934 -9.244 1.00 1.56 C ATOM 1757 NZ LYS A 112 -1.899 -12.656 -8.328 1.00 2.47 N ATOM 0 H LYS A 112 0.067 -8.460 -11.771 1.00 0.94 H new ATOM 0 HA LYS A 112 -0.123 -7.844 -8.903 1.00 1.02 H new ATOM 0 HB2 LYS A 112 -0.421 -10.202 -8.613 1.00 1.31 H new ATOM 0 HB3 LYS A 112 -1.512 -9.637 -9.862 1.00 1.31 H new ATOM 0 HG2 LYS A 112 0.114 -10.507 -11.594 1.00 1.72 H new ATOM 0 HG3 LYS A 112 1.076 -11.180 -10.293 1.00 1.72 H new ATOM 0 HD2 LYS A 112 -1.864 -11.861 -10.758 1.00 1.74 H new ATOM 0 HD3 LYS A 112 -0.534 -12.816 -11.383 1.00 1.74 H new ATOM 0 HE2 LYS A 112 -0.744 -14.002 -9.462 1.00 1.56 H new ATOM 0 HE3 LYS A 112 0.166 -12.691 -8.737 1.00 1.56 H new ATOM 0 HZ1 LYS A 112 -1.881 -13.333 -7.539 1.00 2.47 H new ATOM 0 HZ2 LYS A 112 -1.815 -11.688 -7.956 1.00 2.47 H new ATOM 0 HZ3 LYS A 112 -2.796 -12.751 -8.845 1.00 2.47 H new ATOM 1771 N VAL A 113 1.995 -8.497 -7.980 1.00 0.85 N ATOM 1772 CA VAL A 113 3.279 -8.614 -7.281 1.00 0.87 C ATOM 1773 C VAL A 113 3.121 -9.549 -6.071 1.00 0.84 C ATOM 1774 O VAL A 113 2.007 -9.957 -5.737 1.00 0.87 O ATOM 1775 CB VAL A 113 3.818 -7.231 -6.829 1.00 0.92 C ATOM 1776 CG1 VAL A 113 4.089 -6.303 -8.027 1.00 1.14 C ATOM 1777 CG2 VAL A 113 2.894 -6.514 -5.826 1.00 1.11 C ATOM 0 H VAL A 113 1.228 -8.339 -7.326 1.00 0.85 H new ATOM 0 HA VAL A 113 4.007 -9.033 -7.976 1.00 0.87 H new ATOM 0 HB VAL A 113 4.757 -7.446 -6.319 1.00 0.92 H new ATOM 0 HG11 VAL A 113 4.465 -5.345 -7.668 1.00 1.14 H new ATOM 0 HG12 VAL A 113 4.830 -6.761 -8.682 1.00 1.14 H new ATOM 0 HG13 VAL A 113 3.164 -6.145 -8.581 1.00 1.14 H new ATOM 0 HG21 VAL A 113 3.330 -5.554 -5.552 1.00 1.11 H new ATOM 0 HG22 VAL A 113 1.918 -6.352 -6.283 1.00 1.11 H new ATOM 0 HG23 VAL A 113 2.779 -7.129 -4.933 1.00 1.11 H new ATOM 1787 N VAL A 114 4.237 -9.870 -5.420 1.00 0.92 N ATOM 1788 CA VAL A 114 4.319 -10.703 -4.218 1.00 0.90 C ATOM 1789 C VAL A 114 5.268 -10.011 -3.223 1.00 0.87 C ATOM 1790 O VAL A 114 6.214 -9.347 -3.654 1.00 1.03 O ATOM 1791 CB VAL A 114 4.731 -12.140 -4.617 1.00 1.11 C ATOM 1792 CG1 VAL A 114 6.171 -12.243 -5.152 1.00 1.51 C ATOM 1793 CG2 VAL A 114 4.500 -13.129 -3.477 1.00 2.11 C ATOM 0 H VAL A 114 5.152 -9.542 -5.729 1.00 0.92 H new ATOM 0 HA VAL A 114 3.357 -10.807 -3.715 1.00 0.90 H new ATOM 0 HB VAL A 114 4.077 -12.410 -5.446 1.00 1.11 H new ATOM 0 HG11 VAL A 114 6.390 -13.279 -5.411 1.00 1.51 H new ATOM 0 HG12 VAL A 114 6.276 -11.617 -6.038 1.00 1.51 H new ATOM 0 HG13 VAL A 114 6.869 -11.906 -4.386 1.00 1.51 H new ATOM 0 HG21 VAL A 114 4.801 -14.127 -3.795 1.00 2.11 H new ATOM 0 HG22 VAL A 114 5.091 -12.830 -2.611 1.00 2.11 H new ATOM 0 HG23 VAL A 114 3.443 -13.136 -3.210 1.00 2.11 H new ATOM 1803 N LEU A 115 4.943 -10.048 -1.922 1.00 0.79 N ATOM 1804 CA LEU A 115 5.558 -9.216 -0.868 1.00 0.89 C ATOM 1805 C LEU A 115 5.645 -9.995 0.468 1.00 0.96 C ATOM 1806 O LEU A 115 4.617 -10.538 0.887 1.00 1.16 O ATOM 1807 CB LEU A 115 4.662 -7.976 -0.638 1.00 0.99 C ATOM 1808 CG LEU A 115 4.423 -7.035 -1.837 1.00 1.11 C ATOM 1809 CD1 LEU A 115 3.334 -6.023 -1.461 1.00 1.52 C ATOM 1810 CD2 LEU A 115 5.697 -6.284 -2.244 1.00 1.43 C ATOM 0 H LEU A 115 4.224 -10.675 -1.560 1.00 0.79 H new ATOM 0 HA LEU A 115 6.562 -8.933 -1.186 1.00 0.89 H new ATOM 0 HB2 LEU A 115 3.691 -8.324 -0.285 1.00 0.99 H new ATOM 0 HB3 LEU A 115 5.102 -7.388 0.168 1.00 0.99 H new ATOM 0 HG LEU A 115 4.113 -7.642 -2.688 1.00 1.11 H new ATOM 0 HD11 LEU A 115 3.156 -5.352 -2.301 1.00 1.52 H new ATOM 0 HD12 LEU A 115 2.413 -6.553 -1.218 1.00 1.52 H new ATOM 0 HD13 LEU A 115 3.658 -5.444 -0.596 1.00 1.52 H new ATOM 0 HD21 LEU A 115 5.481 -5.634 -3.092 1.00 1.43 H new ATOM 0 HD22 LEU A 115 6.048 -5.683 -1.406 1.00 1.43 H new ATOM 0 HD23 LEU A 115 6.468 -7.001 -2.524 1.00 1.43 H new ATOM 1822 N PRO A 116 6.770 -10.000 1.206 1.00 0.94 N ATOM 1823 CA PRO A 116 6.911 -10.769 2.443 1.00 0.96 C ATOM 1824 C PRO A 116 6.061 -10.246 3.608 1.00 0.92 C ATOM 1825 O PRO A 116 5.853 -9.039 3.769 1.00 1.00 O ATOM 1826 CB PRO A 116 8.407 -10.741 2.779 1.00 1.03 C ATOM 1827 CG PRO A 116 8.897 -9.461 2.104 1.00 1.01 C ATOM 1828 CD PRO A 116 8.041 -9.406 0.841 1.00 0.91 C ATOM 0 HA PRO A 116 6.539 -11.782 2.290 1.00 0.96 H new ATOM 0 HB2 PRO A 116 8.577 -10.718 3.855 1.00 1.03 H new ATOM 0 HB3 PRO A 116 8.922 -11.621 2.394 1.00 1.03 H new ATOM 0 HG2 PRO A 116 8.746 -8.586 2.735 1.00 1.01 H new ATOM 0 HG3 PRO A 116 9.961 -9.506 1.872 1.00 1.01 H new ATOM 0 HD2 PRO A 116 7.910 -8.379 0.500 1.00 0.91 H new ATOM 0 HD3 PRO A 116 8.511 -9.955 0.025 1.00 0.91 H new ATOM 1836 N VAL A 117 5.615 -11.172 4.466 1.00 0.87 N ATOM 1837 CA VAL A 117 4.995 -10.850 5.756 1.00 0.86 C ATOM 1838 C VAL A 117 6.073 -10.507 6.802 1.00 0.95 C ATOM 1839 O VAL A 117 7.025 -11.267 6.986 1.00 1.14 O ATOM 1840 CB VAL A 117 4.123 -12.031 6.237 1.00 0.89 C ATOM 1841 CG1 VAL A 117 3.606 -11.782 7.655 1.00 0.98 C ATOM 1842 CG2 VAL A 117 2.911 -12.234 5.315 1.00 0.92 C ATOM 0 H VAL A 117 5.675 -12.174 4.282 1.00 0.87 H new ATOM 0 HA VAL A 117 4.355 -9.977 5.629 1.00 0.86 H new ATOM 0 HB VAL A 117 4.752 -12.921 6.220 1.00 0.89 H new ATOM 0 HG11 VAL A 117 2.994 -12.626 7.973 1.00 0.98 H new ATOM 0 HG12 VAL A 117 4.450 -11.669 8.335 1.00 0.98 H new ATOM 0 HG13 VAL A 117 3.005 -10.873 7.669 1.00 0.98 H new ATOM 0 HG21 VAL A 117 2.315 -13.072 5.677 1.00 0.92 H new ATOM 0 HG22 VAL A 117 2.302 -11.330 5.310 1.00 0.92 H new ATOM 0 HG23 VAL A 117 3.255 -12.445 4.302 1.00 0.92 H new ATOM 1852 N GLU A 118 5.881 -9.401 7.536 1.00 0.92 N ATOM 1853 CA GLU A 118 6.722 -8.945 8.654 1.00 1.05 C ATOM 1854 C GLU A 118 5.885 -8.520 9.875 1.00 1.10 C ATOM 1855 O GLU A 118 4.738 -8.095 9.740 1.00 1.28 O ATOM 1856 CB GLU A 118 7.563 -7.723 8.248 1.00 1.46 C ATOM 1857 CG GLU A 118 8.722 -8.019 7.287 1.00 1.94 C ATOM 1858 CD GLU A 118 9.744 -6.882 7.337 1.00 2.66 C ATOM 1859 OE1 GLU A 118 10.274 -6.608 8.433 1.00 2.87 O ATOM 1860 OE2 GLU A 118 10.024 -6.240 6.307 1.00 3.90 O ATOM 0 H GLU A 118 5.099 -8.771 7.359 1.00 0.92 H new ATOM 0 HA GLU A 118 7.356 -9.793 8.912 1.00 1.05 H new ATOM 0 HB2 GLU A 118 6.906 -6.987 7.784 1.00 1.46 H new ATOM 0 HB3 GLU A 118 7.968 -7.264 9.150 1.00 1.46 H new ATOM 0 HG2 GLU A 118 9.199 -8.961 7.558 1.00 1.94 H new ATOM 0 HG3 GLU A 118 8.343 -8.135 6.271 1.00 1.94 H new ATOM 1867 N ALA A 119 6.479 -8.555 11.073 1.00 1.22 N ATOM 1868 CA ALA A 119 5.950 -7.898 12.272 1.00 1.39 C ATOM 1869 C ALA A 119 6.417 -6.429 12.301 1.00 1.44 C ATOM 1870 O ALA A 119 7.454 -6.114 12.886 1.00 1.98 O ATOM 1871 CB ALA A 119 6.400 -8.695 13.506 1.00 1.72 C ATOM 0 H ALA A 119 7.356 -9.049 11.239 1.00 1.22 H new ATOM 0 HA ALA A 119 4.860 -7.882 12.267 1.00 1.39 H new ATOM 0 HB1 ALA A 119 6.014 -8.219 14.407 1.00 1.72 H new ATOM 0 HB2 ALA A 119 6.017 -9.713 13.441 1.00 1.72 H new ATOM 0 HB3 ALA A 119 7.489 -8.719 13.546 1.00 1.72 H new ATOM 1877 N ARG A 120 5.684 -5.548 11.607 1.00 1.45 N ATOM 1878 CA ARG A 120 6.145 -4.198 11.225 1.00 1.60 C ATOM 1879 C ARG A 120 4.980 -3.250 10.940 1.00 2.00 C ATOM 1880 O ARG A 120 4.038 -3.252 11.757 1.00 2.32 O ATOM 1881 CB ARG A 120 7.137 -4.376 10.059 1.00 1.94 C ATOM 1882 CG ARG A 120 8.161 -3.241 9.906 1.00 2.28 C ATOM 1883 CD ARG A 120 9.361 -3.828 9.153 1.00 2.71 C ATOM 1884 NE ARG A 120 10.443 -2.866 8.884 1.00 3.45 N ATOM 1885 CZ ARG A 120 11.561 -3.200 8.264 1.00 4.49 C ATOM 1886 NH1 ARG A 120 11.843 -4.417 7.916 1.00 4.94 N ATOM 1887 NH2 ARG A 120 12.461 -2.293 7.996 1.00 5.71 N ATOM 1888 OXT ARG A 120 4.955 -2.540 9.912 1.00 2.91 O ATOM 0 H ARG A 120 4.737 -5.753 11.288 1.00 1.45 H new ATOM 0 HA ARG A 120 6.663 -3.705 12.048 1.00 1.60 H new ATOM 0 HB2 ARG A 120 7.674 -5.315 10.197 1.00 1.94 H new ATOM 0 HB3 ARG A 120 6.573 -4.465 9.131 1.00 1.94 H new ATOM 0 HG2 ARG A 120 7.731 -2.404 9.356 1.00 2.28 H new ATOM 0 HG3 ARG A 120 8.465 -2.860 10.881 1.00 2.28 H new ATOM 0 HD2 ARG A 120 9.766 -4.659 9.731 1.00 2.71 H new ATOM 0 HD3 ARG A 120 9.013 -4.239 8.205 1.00 2.71 H new ATOM 0 HE ARG A 120 10.324 -1.900 9.189 1.00 3.45 H new ATOM 0 HH11 ARG A 120 11.187 -5.171 8.119 1.00 4.94 H new ATOM 0 HH12 ARG A 120 12.721 -4.620 7.439 1.00 4.94 H new ATOM 0 HH21 ARG A 120 12.303 -1.322 8.265 1.00 5.71 H new ATOM 0 HH22 ARG A 120 13.323 -2.555 7.517 1.00 5.71 H new