USER MOD reduce.3.24.130724 H: found=0, std=0, add=945, rem=0, adj=17 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 Single : A 11 SER OG : rot 160:sc= 0.461 USER MOD Single : A 15 ASN : amide:sc= 0 X(o=0,f=-0.021) USER MOD Single : A 19 TYR OH : rot 30:sc= 0 USER MOD Single : A 21 THR OG1 : rot 132:sc= 1.23 USER MOD Single : A 24 ASN : amide:sc= 0.541 K(o=0.54,f=-4.9!) USER MOD Single : A 37 THR OG1 : rot 71:sc= 0.732 USER MOD Single : A 46 HIS : no HD1:sc= -0.0919 K(o=-0.092,f=-3.9!) USER MOD Single : A 48 THR OG1 : rot 180:sc= -0.0696 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -140:sc= 0.203 (180deg=-1.03!) USER MOD Single : A 57 LYS NZ :NH3+ -168:sc= 1.25 (180deg=1.07) USER MOD Single : A 59 MET CE :methyl 175:sc= 0 (180deg=-0.0217) USER MOD Single : A 61 MET CE :methyl 167:sc= 0 (180deg=-0.192) USER MOD Single : A 72 LYS NZ :NH3+ 172:sc= 1.25 (180deg=1.14) USER MOD Single : A 78 LYS NZ :NH3+ 170:sc= 1.27 (180deg=1.13) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 83 HIS : no HD1:sc= 0 X(o=0,f=-0.072) USER MOD Single : A 85 MET CE :methyl 157:sc= -0.466 (180deg=-0.765) USER MOD Single : A 90 LYS NZ :NH3+ -156:sc= 0.612 (180deg=-1.01!) USER MOD Single : A 94 LYS NZ :NH3+ 147:sc= -0.304! (180deg=-1.59!) USER MOD Single : A 109 LYS NZ :NH3+ -177:sc= 1.23 (180deg=1.21) USER MOD Single : A 112 LYS NZ :NH3+ -123:sc= 1.84 (180deg=-0.915!) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 11.373 -3.159 -1.965 1.00 1.52 N ATOM 56 CA GLU A 5 10.314 -4.120 -2.291 1.00 1.53 C ATOM 57 C GLU A 5 9.072 -3.899 -1.400 1.00 1.42 C ATOM 58 O GLU A 5 8.850 -2.773 -0.943 1.00 1.60 O ATOM 59 CB GLU A 5 10.862 -5.555 -2.192 1.00 2.65 C ATOM 60 CG GLU A 5 10.185 -6.444 -3.240 1.00 4.21 C ATOM 61 CD GLU A 5 10.920 -6.383 -4.572 1.00 4.96 C ATOM 62 OE1 GLU A 5 12.108 -6.764 -4.623 1.00 5.07 O ATOM 63 OE2 GLU A 5 10.351 -5.842 -5.542 1.00 6.13 O ATOM 0 HA GLU A 5 9.988 -3.961 -3.319 1.00 1.53 H new ATOM 0 HB2 GLU A 5 11.941 -5.553 -2.346 1.00 2.65 H new ATOM 0 HB3 GLU A 5 10.683 -5.954 -1.194 1.00 2.65 H new ATOM 0 HG2 GLU A 5 10.157 -7.474 -2.884 1.00 4.21 H new ATOM 0 HG3 GLU A 5 9.151 -6.126 -3.377 1.00 4.21 H new ATOM 70 N GLY A 6 8.256 -4.935 -1.155 1.00 1.44 N ATOM 71 CA GLY A 6 7.138 -4.923 -0.204 1.00 1.31 C ATOM 72 C GLY A 6 7.126 -6.093 0.775 1.00 1.17 C ATOM 73 O GLY A 6 7.853 -7.065 0.601 1.00 1.22 O ATOM 0 H GLY A 6 8.361 -5.832 -1.629 1.00 1.44 H new ATOM 0 HA2 GLY A 6 7.170 -3.992 0.362 1.00 1.31 H new ATOM 0 HA3 GLY A 6 6.202 -4.924 -0.763 1.00 1.31 H new ATOM 77 N TRP A 7 6.282 -5.974 1.803 1.00 1.08 N ATOM 78 CA TRP A 7 6.118 -6.898 2.933 1.00 0.91 C ATOM 79 C TRP A 7 4.786 -6.634 3.662 1.00 0.82 C ATOM 80 O TRP A 7 4.244 -5.529 3.578 1.00 0.85 O ATOM 81 CB TRP A 7 7.297 -6.785 3.913 1.00 1.01 C ATOM 82 CG TRP A 7 7.347 -5.543 4.755 1.00 1.08 C ATOM 83 CD1 TRP A 7 7.024 -5.484 6.066 1.00 1.18 C ATOM 84 CD2 TRP A 7 7.739 -4.181 4.385 1.00 1.21 C ATOM 85 NE1 TRP A 7 7.179 -4.194 6.531 1.00 1.27 N ATOM 86 CE2 TRP A 7 7.593 -3.341 5.530 1.00 1.29 C ATOM 87 CE3 TRP A 7 8.209 -3.568 3.204 1.00 1.41 C ATOM 88 CZ2 TRP A 7 7.852 -1.961 5.490 1.00 1.50 C ATOM 89 CZ3 TRP A 7 8.466 -2.185 3.148 1.00 1.67 C ATOM 90 CH2 TRP A 7 8.280 -1.379 4.284 1.00 1.70 C ATOM 0 H TRP A 7 5.651 -5.176 1.875 1.00 1.08 H new ATOM 0 HA TRP A 7 6.101 -7.913 2.537 1.00 0.91 H new ATOM 0 HB2 TRP A 7 7.273 -7.648 4.578 1.00 1.01 H new ATOM 0 HB3 TRP A 7 8.223 -6.849 3.342 1.00 1.01 H new ATOM 0 HD1 TRP A 7 6.694 -6.322 6.661 1.00 1.18 H new ATOM 0 HE1 TRP A 7 7.009 -3.907 7.495 1.00 1.27 H new ATOM 0 HE3 TRP A 7 8.375 -4.173 2.325 1.00 1.41 H new ATOM 0 HZ2 TRP A 7 7.724 -1.355 6.375 1.00 1.50 H new ATOM 0 HZ3 TRP A 7 8.809 -1.740 2.225 1.00 1.67 H new ATOM 0 HH2 TRP A 7 8.465 -0.316 4.231 1.00 1.70 H new ATOM 101 N VAL A 8 4.267 -7.619 4.402 1.00 0.93 N ATOM 102 CA VAL A 8 3.003 -7.473 5.152 1.00 1.01 C ATOM 103 C VAL A 8 3.236 -7.743 6.636 1.00 1.09 C ATOM 104 O VAL A 8 4.009 -8.628 7.005 1.00 1.12 O ATOM 105 CB VAL A 8 1.876 -8.359 4.575 1.00 1.05 C ATOM 106 CG1 VAL A 8 0.535 -8.128 5.289 1.00 1.13 C ATOM 107 CG2 VAL A 8 1.681 -8.052 3.081 1.00 1.07 C ATOM 0 H VAL A 8 4.703 -8.536 4.502 1.00 0.93 H new ATOM 0 HA VAL A 8 2.664 -6.443 5.041 1.00 1.01 H new ATOM 0 HB VAL A 8 2.179 -9.395 4.725 1.00 1.05 H new ATOM 0 HG11 VAL A 8 -0.227 -8.772 4.850 1.00 1.13 H new ATOM 0 HG12 VAL A 8 0.642 -8.362 6.348 1.00 1.13 H new ATOM 0 HG13 VAL A 8 0.238 -7.085 5.176 1.00 1.13 H new ATOM 0 HG21 VAL A 8 0.885 -8.680 2.681 1.00 1.07 H new ATOM 0 HG22 VAL A 8 1.412 -7.003 2.957 1.00 1.07 H new ATOM 0 HG23 VAL A 8 2.608 -8.255 2.544 1.00 1.07 H new ATOM 117 N ARG A 9 2.597 -6.939 7.492 1.00 1.17 N ATOM 118 CA ARG A 9 2.756 -7.063 8.935 1.00 1.30 C ATOM 119 C ARG A 9 1.941 -8.234 9.491 1.00 1.28 C ATOM 120 O ARG A 9 0.732 -8.317 9.269 1.00 1.63 O ATOM 121 CB ARG A 9 2.388 -5.741 9.624 1.00 1.51 C ATOM 122 CG ARG A 9 3.251 -5.556 10.878 1.00 2.18 C ATOM 123 CD ARG A 9 3.047 -4.177 11.513 1.00 2.55 C ATOM 124 NE ARG A 9 4.204 -3.846 12.350 1.00 3.65 N ATOM 125 CZ ARG A 9 4.573 -2.677 12.838 1.00 4.51 C ATOM 126 NH1 ARG A 9 3.792 -1.613 12.798 1.00 4.80 N ATOM 127 NH2 ARG A 9 5.767 -2.594 13.374 1.00 5.76 N ATOM 0 H ARG A 9 1.963 -6.194 7.204 1.00 1.17 H new ATOM 0 HA ARG A 9 3.803 -7.278 9.147 1.00 1.30 H new ATOM 0 HB2 ARG A 9 2.541 -4.907 8.939 1.00 1.51 H new ATOM 0 HB3 ARG A 9 1.332 -5.742 9.894 1.00 1.51 H new ATOM 0 HG2 ARG A 9 3.006 -6.330 11.605 1.00 2.18 H new ATOM 0 HG3 ARG A 9 4.302 -5.684 10.618 1.00 2.18 H new ATOM 0 HD2 ARG A 9 2.919 -3.423 10.736 1.00 2.55 H new ATOM 0 HD3 ARG A 9 2.138 -4.173 12.114 1.00 2.55 H new ATOM 0 HE ARG A 9 4.810 -4.631 12.589 1.00 3.65 H new ATOM 0 HH11 ARG A 9 2.865 -1.677 12.378 1.00 4.80 H new ATOM 0 HH12 ARG A 9 4.116 -0.728 13.187 1.00 4.80 H new ATOM 0 HH21 ARG A 9 6.372 -3.415 13.402 1.00 5.76 H new ATOM 0 HH22 ARG A 9 6.091 -1.708 13.763 1.00 5.76 H new ATOM 141 N PHE A 10 2.600 -9.097 10.271 1.00 1.46 N ATOM 142 CA PHE A 10 1.965 -10.144 11.079 1.00 1.48 C ATOM 143 C PHE A 10 0.772 -9.596 11.891 1.00 1.36 C ATOM 144 O PHE A 10 0.822 -8.480 12.409 1.00 1.52 O ATOM 145 CB PHE A 10 3.035 -10.775 11.992 1.00 1.76 C ATOM 146 CG PHE A 10 2.499 -11.464 13.236 1.00 1.81 C ATOM 147 CD1 PHE A 10 2.279 -10.720 14.412 1.00 2.60 C ATOM 148 CD2 PHE A 10 2.161 -12.828 13.209 1.00 2.21 C ATOM 149 CE1 PHE A 10 1.693 -11.328 15.535 1.00 2.70 C ATOM 150 CE2 PHE A 10 1.569 -13.438 14.330 1.00 2.30 C ATOM 151 CZ PHE A 10 1.328 -12.683 15.492 1.00 2.05 C ATOM 0 H PHE A 10 3.616 -9.087 10.360 1.00 1.46 H new ATOM 0 HA PHE A 10 1.554 -10.909 10.420 1.00 1.48 H new ATOM 0 HB2 PHE A 10 3.604 -11.501 11.411 1.00 1.76 H new ATOM 0 HB3 PHE A 10 3.733 -9.996 12.300 1.00 1.76 H new ATOM 0 HD1 PHE A 10 2.562 -9.678 14.450 1.00 2.60 H new ATOM 0 HD2 PHE A 10 2.357 -13.412 12.322 1.00 2.21 H new ATOM 0 HE1 PHE A 10 1.523 -10.752 16.433 1.00 2.70 H new ATOM 0 HE2 PHE A 10 1.300 -14.484 14.298 1.00 2.30 H new ATOM 0 HZ PHE A 10 0.863 -13.145 16.350 1.00 2.05 H new ATOM 161 N SER A 11 -0.282 -10.401 12.044 1.00 1.57 N ATOM 162 CA SER A 11 -1.462 -10.025 12.829 1.00 1.59 C ATOM 163 C SER A 11 -2.340 -11.236 13.192 1.00 1.79 C ATOM 164 O SER A 11 -2.617 -12.066 12.321 1.00 2.25 O ATOM 165 CB SER A 11 -2.312 -8.991 12.068 1.00 2.19 C ATOM 166 OG SER A 11 -3.364 -8.517 12.896 1.00 3.23 O ATOM 0 H SER A 11 -0.342 -11.330 11.628 1.00 1.57 H new ATOM 0 HA SER A 11 -1.091 -9.590 13.757 1.00 1.59 H new ATOM 0 HB2 SER A 11 -1.686 -8.157 11.750 1.00 2.19 H new ATOM 0 HB3 SER A 11 -2.725 -9.442 11.165 1.00 2.19 H new ATOM 0 HG SER A 11 -3.692 -7.661 12.550 1.00 3.23 H new ATOM 172 N PRO A 12 -2.821 -11.336 14.448 1.00 1.67 N ATOM 173 CA PRO A 12 -3.916 -12.219 14.849 1.00 1.87 C ATOM 174 C PRO A 12 -5.292 -11.519 14.785 1.00 1.89 C ATOM 175 O PRO A 12 -6.294 -12.122 15.164 1.00 2.73 O ATOM 176 CB PRO A 12 -3.562 -12.589 16.292 1.00 1.98 C ATOM 177 CG PRO A 12 -2.996 -11.277 16.837 1.00 1.84 C ATOM 178 CD PRO A 12 -2.273 -10.676 15.629 1.00 1.60 C ATOM 0 HA PRO A 12 -4.010 -13.080 14.187 1.00 1.87 H new ATOM 0 HB2 PRO A 12 -4.436 -12.919 16.853 1.00 1.98 H new ATOM 0 HB3 PRO A 12 -2.831 -13.397 16.337 1.00 1.98 H new ATOM 0 HG2 PRO A 12 -3.785 -10.619 17.202 1.00 1.84 H new ATOM 0 HG3 PRO A 12 -2.314 -11.448 17.670 1.00 1.84 H new ATOM 0 HD2 PRO A 12 -2.430 -9.599 15.579 1.00 1.60 H new ATOM 0 HD3 PRO A 12 -1.198 -10.838 15.700 1.00 1.60 H new ATOM 186 N GLY A 13 -5.344 -10.241 14.380 1.00 1.39 N ATOM 187 CA GLY A 13 -6.524 -9.376 14.480 1.00 1.38 C ATOM 188 C GLY A 13 -7.346 -9.261 13.185 1.00 1.17 C ATOM 189 O GLY A 13 -6.910 -9.721 12.130 1.00 1.28 O ATOM 0 H GLY A 13 -4.542 -9.770 13.962 1.00 1.39 H new ATOM 0 HA2 GLY A 13 -7.170 -9.755 15.272 1.00 1.38 H new ATOM 0 HA3 GLY A 13 -6.203 -8.379 14.780 1.00 1.38 H new ATOM 193 N PRO A 14 -8.535 -8.624 13.258 1.00 1.16 N ATOM 194 CA PRO A 14 -9.481 -8.506 12.148 1.00 1.24 C ATOM 195 C PRO A 14 -9.073 -7.467 11.091 1.00 1.01 C ATOM 196 O PRO A 14 -9.634 -7.481 9.993 1.00 1.16 O ATOM 197 CB PRO A 14 -10.811 -8.121 12.806 1.00 1.53 C ATOM 198 CG PRO A 14 -10.371 -7.300 14.017 1.00 1.54 C ATOM 199 CD PRO A 14 -9.098 -8.020 14.461 1.00 1.38 C ATOM 0 HA PRO A 14 -9.530 -9.443 11.594 1.00 1.24 H new ATOM 0 HB2 PRO A 14 -11.441 -7.540 12.132 1.00 1.53 H new ATOM 0 HB3 PRO A 14 -11.384 -9.000 13.101 1.00 1.53 H new ATOM 0 HG2 PRO A 14 -10.178 -6.260 13.754 1.00 1.54 H new ATOM 0 HG3 PRO A 14 -11.129 -7.295 14.801 1.00 1.54 H new ATOM 0 HD2 PRO A 14 -8.393 -7.322 14.913 1.00 1.38 H new ATOM 0 HD3 PRO A 14 -9.321 -8.779 15.211 1.00 1.38 H new ATOM 207 N ASN A 15 -8.102 -6.594 11.399 1.00 0.80 N ATOM 208 CA ASN A 15 -7.425 -5.741 10.420 1.00 0.70 C ATOM 209 C ASN A 15 -5.894 -5.972 10.415 1.00 0.84 C ATOM 210 O ASN A 15 -5.313 -6.513 11.365 1.00 1.10 O ATOM 211 CB ASN A 15 -7.772 -4.259 10.663 1.00 0.88 C ATOM 212 CG ASN A 15 -6.972 -3.632 11.801 1.00 1.73 C ATOM 213 OD1 ASN A 15 -7.127 -3.984 12.962 1.00 2.33 O ATOM 214 ND2 ASN A 15 -6.083 -2.698 11.502 1.00 2.74 N ATOM 0 H ASN A 15 -7.762 -6.461 12.352 1.00 0.80 H new ATOM 0 HA ASN A 15 -7.788 -6.017 9.430 1.00 0.70 H new ATOM 0 HB2 ASN A 15 -7.591 -3.696 9.747 1.00 0.88 H new ATOM 0 HB3 ASN A 15 -8.836 -4.174 10.885 1.00 0.88 H new ATOM 0 HD21 ASN A 15 -5.525 -2.270 12.241 1.00 2.74 H new ATOM 0 HD22 ASN A 15 -5.956 -2.406 10.533 1.00 2.74 H new ATOM 221 N ALA A 16 -5.223 -5.518 9.350 1.00 0.82 N ATOM 222 CA ALA A 16 -3.764 -5.556 9.187 1.00 1.07 C ATOM 223 C ALA A 16 -3.282 -4.481 8.187 1.00 0.92 C ATOM 224 O ALA A 16 -4.096 -3.741 7.630 1.00 0.74 O ATOM 225 CB ALA A 16 -3.336 -6.984 8.805 1.00 1.39 C ATOM 0 H ALA A 16 -5.697 -5.099 8.550 1.00 0.82 H new ATOM 0 HA ALA A 16 -3.279 -5.308 10.131 1.00 1.07 H new ATOM 0 HB1 ALA A 16 -2.253 -7.019 8.682 1.00 1.39 H new ATOM 0 HB2 ALA A 16 -3.635 -7.676 9.592 1.00 1.39 H new ATOM 0 HB3 ALA A 16 -3.816 -7.270 7.869 1.00 1.39 H new ATOM 231 N ALA A 17 -1.963 -4.396 7.976 1.00 1.23 N ATOM 232 CA ALA A 17 -1.295 -3.392 7.141 1.00 1.17 C ATOM 233 C ALA A 17 -0.255 -4.025 6.202 1.00 1.13 C ATOM 234 O ALA A 17 0.523 -4.884 6.632 1.00 1.32 O ATOM 235 CB ALA A 17 -0.605 -2.367 8.056 1.00 1.39 C ATOM 0 H ALA A 17 -1.306 -5.051 8.400 1.00 1.23 H new ATOM 0 HA ALA A 17 -2.048 -2.909 6.518 1.00 1.17 H new ATOM 0 HB1 ALA A 17 -0.104 -1.615 7.447 1.00 1.39 H new ATOM 0 HB2 ALA A 17 -1.350 -1.885 8.689 1.00 1.39 H new ATOM 0 HB3 ALA A 17 0.129 -2.874 8.682 1.00 1.39 H new ATOM 241 N ALA A 18 -0.216 -3.536 4.960 1.00 0.99 N ATOM 242 CA ALA A 18 0.755 -3.917 3.935 1.00 0.92 C ATOM 243 C ALA A 18 1.481 -2.697 3.343 1.00 0.80 C ATOM 244 O ALA A 18 0.933 -1.593 3.255 1.00 0.89 O ATOM 245 CB ALA A 18 0.028 -4.720 2.848 1.00 0.97 C ATOM 0 H ALA A 18 -0.884 -2.839 4.630 1.00 0.99 H new ATOM 0 HA ALA A 18 1.529 -4.534 4.391 1.00 0.92 H new ATOM 0 HB1 ALA A 18 0.739 -5.012 2.075 1.00 0.97 H new ATOM 0 HB2 ALA A 18 -0.415 -5.613 3.290 1.00 0.97 H new ATOM 0 HB3 ALA A 18 -0.757 -4.106 2.406 1.00 0.97 H new ATOM 251 N TYR A 19 2.724 -2.926 2.918 1.00 0.73 N ATOM 252 CA TYR A 19 3.650 -1.911 2.402 1.00 0.73 C ATOM 253 C TYR A 19 4.348 -2.452 1.148 1.00 0.78 C ATOM 254 O TYR A 19 4.603 -3.655 1.077 1.00 0.92 O ATOM 255 CB TYR A 19 4.712 -1.596 3.469 1.00 0.80 C ATOM 256 CG TYR A 19 4.213 -1.595 4.900 1.00 0.84 C ATOM 257 CD1 TYR A 19 3.590 -0.459 5.444 1.00 1.54 C ATOM 258 CD2 TYR A 19 4.337 -2.766 5.671 1.00 2.16 C ATOM 259 CE1 TYR A 19 3.102 -0.491 6.765 1.00 1.58 C ATOM 260 CE2 TYR A 19 3.884 -2.801 6.998 1.00 2.22 C ATOM 261 CZ TYR A 19 3.259 -1.658 7.551 1.00 1.03 C ATOM 262 OH TYR A 19 2.807 -1.676 8.837 1.00 1.19 O ATOM 0 H TYR A 19 3.132 -3.861 2.923 1.00 0.73 H new ATOM 0 HA TYR A 19 3.095 -1.006 2.156 1.00 0.73 H new ATOM 0 HB2 TYR A 19 5.517 -2.326 3.383 1.00 0.80 H new ATOM 0 HB3 TYR A 19 5.143 -0.619 3.251 1.00 0.80 H new ATOM 0 HD1 TYR A 19 3.486 0.437 4.850 1.00 1.54 H new ATOM 0 HD2 TYR A 19 4.786 -3.647 5.236 1.00 2.16 H new ATOM 0 HE1 TYR A 19 2.608 0.376 7.179 1.00 1.58 H new ATOM 0 HE2 TYR A 19 4.011 -3.693 7.593 1.00 2.22 H new ATOM 0 HH TYR A 19 2.034 -1.079 8.921 1.00 1.19 H new ATOM 272 N LEU A 20 4.703 -1.588 0.185 1.00 0.74 N ATOM 273 CA LEU A 20 5.375 -2.006 -1.056 1.00 0.82 C ATOM 274 C LEU A 20 5.999 -0.871 -1.859 1.00 0.88 C ATOM 275 O LEU A 20 5.558 0.274 -1.817 1.00 0.82 O ATOM 276 CB LEU A 20 4.476 -2.919 -1.920 1.00 0.89 C ATOM 277 CG LEU A 20 3.156 -2.286 -2.413 1.00 1.04 C ATOM 278 CD1 LEU A 20 3.311 -1.666 -3.811 1.00 1.22 C ATOM 279 CD2 LEU A 20 2.064 -3.366 -2.429 1.00 1.77 C ATOM 0 H LEU A 20 4.534 -0.584 0.243 1.00 0.74 H new ATOM 0 HA LEU A 20 6.228 -2.600 -0.727 1.00 0.82 H new ATOM 0 HB2 LEU A 20 5.048 -3.244 -2.789 1.00 0.89 H new ATOM 0 HB3 LEU A 20 4.236 -3.812 -1.344 1.00 0.89 H new ATOM 0 HG LEU A 20 2.879 -1.481 -1.732 1.00 1.04 H new ATOM 0 HD11 LEU A 20 2.362 -1.231 -4.123 1.00 1.22 H new ATOM 0 HD12 LEU A 20 4.074 -0.888 -3.782 1.00 1.22 H new ATOM 0 HD13 LEU A 20 3.607 -2.438 -4.521 1.00 1.22 H new ATOM 0 HD21 LEU A 20 1.127 -2.931 -2.776 1.00 1.77 H new ATOM 0 HD22 LEU A 20 2.360 -4.172 -3.100 1.00 1.77 H new ATOM 0 HD23 LEU A 20 1.930 -3.762 -1.423 1.00 1.77 H new ATOM 291 N THR A 21 7.042 -1.220 -2.609 1.00 1.03 N ATOM 292 CA THR A 21 7.795 -0.340 -3.498 1.00 0.95 C ATOM 293 C THR A 21 7.036 -0.160 -4.802 1.00 1.07 C ATOM 294 O THR A 21 6.816 -1.131 -5.520 1.00 1.38 O ATOM 295 CB THR A 21 9.187 -0.953 -3.704 1.00 1.24 C ATOM 296 OG1 THR A 21 9.846 -0.710 -2.483 1.00 1.26 O ATOM 297 CG2 THR A 21 9.987 -0.294 -4.831 1.00 1.57 C ATOM 0 H THR A 21 7.403 -2.174 -2.613 1.00 1.03 H new ATOM 0 HA THR A 21 7.917 0.654 -3.067 1.00 0.95 H new ATOM 0 HB THR A 21 9.100 -2.003 -3.982 1.00 1.24 H new ATOM 0 HG1 THR A 21 10.278 -1.534 -2.175 1.00 1.26 H new ATOM 0 HG21 THR A 21 10.959 -0.779 -4.919 1.00 1.57 H new ATOM 0 HG22 THR A 21 9.444 -0.397 -5.771 1.00 1.57 H new ATOM 0 HG23 THR A 21 10.128 0.763 -4.607 1.00 1.57 H new ATOM 305 N LEU A 22 6.683 1.086 -5.138 1.00 1.15 N ATOM 306 CA LEU A 22 6.208 1.449 -6.465 1.00 1.42 C ATOM 307 C LEU A 22 7.332 2.184 -7.195 1.00 1.23 C ATOM 308 O LEU A 22 7.730 3.296 -6.835 1.00 1.24 O ATOM 309 CB LEU A 22 4.921 2.284 -6.353 1.00 1.78 C ATOM 310 CG LEU A 22 3.958 2.192 -7.547 1.00 2.09 C ATOM 311 CD1 LEU A 22 4.662 2.449 -8.883 1.00 2.54 C ATOM 312 CD2 LEU A 22 3.246 0.832 -7.588 1.00 2.26 C ATOM 0 H LEU A 22 6.722 1.871 -4.488 1.00 1.15 H new ATOM 0 HA LEU A 22 5.950 0.563 -7.045 1.00 1.42 H new ATOM 0 HB2 LEU A 22 4.387 1.975 -5.455 1.00 1.78 H new ATOM 0 HB3 LEU A 22 5.199 3.329 -6.214 1.00 1.78 H new ATOM 0 HG LEU A 22 3.216 2.977 -7.402 1.00 2.09 H new ATOM 0 HD11 LEU A 22 3.939 2.373 -9.696 1.00 2.54 H new ATOM 0 HD12 LEU A 22 5.099 3.448 -8.878 1.00 2.54 H new ATOM 0 HD13 LEU A 22 5.450 1.710 -9.027 1.00 2.54 H new ATOM 0 HD21 LEU A 22 2.572 0.800 -8.444 1.00 2.26 H new ATOM 0 HD22 LEU A 22 3.986 0.037 -7.678 1.00 2.26 H new ATOM 0 HD23 LEU A 22 2.674 0.693 -6.671 1.00 2.26 H new ATOM 324 N GLU A 23 7.832 1.533 -8.232 1.00 1.18 N ATOM 325 CA GLU A 23 8.754 2.097 -9.207 1.00 1.15 C ATOM 326 C GLU A 23 8.140 1.963 -10.594 1.00 1.08 C ATOM 327 O GLU A 23 7.686 0.887 -10.970 1.00 1.23 O ATOM 328 CB GLU A 23 10.149 1.460 -9.084 1.00 1.40 C ATOM 329 CG GLU A 23 10.225 -0.082 -9.099 1.00 1.67 C ATOM 330 CD GLU A 23 11.595 -0.609 -8.646 1.00 2.17 C ATOM 331 OE1 GLU A 23 12.378 0.169 -8.055 1.00 3.32 O ATOM 332 OE2 GLU A 23 11.878 -1.807 -8.841 1.00 2.31 O ATOM 0 H GLU A 23 7.598 0.559 -8.426 1.00 1.18 H new ATOM 0 HA GLU A 23 8.909 3.159 -9.015 1.00 1.15 H new ATOM 0 HB2 GLU A 23 10.765 1.836 -9.900 1.00 1.40 H new ATOM 0 HB3 GLU A 23 10.600 1.811 -8.156 1.00 1.40 H new ATOM 0 HG2 GLU A 23 9.450 -0.487 -8.448 1.00 1.67 H new ATOM 0 HG3 GLU A 23 10.016 -0.443 -10.106 1.00 1.67 H new ATOM 339 N ASN A 24 8.079 3.072 -11.329 1.00 1.00 N ATOM 340 CA ASN A 24 7.535 3.135 -12.679 1.00 0.96 C ATOM 341 C ASN A 24 8.686 3.081 -13.704 1.00 0.94 C ATOM 342 O ASN A 24 9.371 4.091 -13.891 1.00 0.95 O ATOM 343 CB ASN A 24 6.701 4.423 -12.826 1.00 0.94 C ATOM 344 CG ASN A 24 5.985 4.490 -14.172 1.00 0.93 C ATOM 345 OD1 ASN A 24 6.145 3.624 -15.021 1.00 0.97 O ATOM 346 ND2 ASN A 24 5.174 5.502 -14.410 1.00 0.95 N ATOM 0 H ASN A 24 8.416 3.973 -10.991 1.00 1.00 H new ATOM 0 HA ASN A 24 6.883 2.282 -12.867 1.00 0.96 H new ATOM 0 HB2 ASN A 24 5.967 4.473 -12.022 1.00 0.94 H new ATOM 0 HB3 ASN A 24 7.352 5.291 -12.718 1.00 0.94 H new ATOM 0 HD21 ASN A 24 4.681 5.562 -15.301 1.00 0.95 H new ATOM 0 HD22 ASN A 24 5.039 6.225 -13.703 1.00 0.95 H new ATOM 353 N PRO A 25 8.919 1.946 -14.388 1.00 0.97 N ATOM 354 CA PRO A 25 9.934 1.842 -15.438 1.00 0.98 C ATOM 355 C PRO A 25 9.465 2.393 -16.794 1.00 0.96 C ATOM 356 O PRO A 25 10.283 2.522 -17.706 1.00 0.98 O ATOM 357 CB PRO A 25 10.223 0.340 -15.536 1.00 1.06 C ATOM 358 CG PRO A 25 8.863 -0.284 -15.216 1.00 1.10 C ATOM 359 CD PRO A 25 8.318 0.642 -14.135 1.00 1.05 C ATOM 0 HA PRO A 25 10.812 2.439 -15.190 1.00 0.98 H new ATOM 0 HB2 PRO A 25 10.574 0.059 -16.529 1.00 1.06 H new ATOM 0 HB3 PRO A 25 10.989 0.028 -14.826 1.00 1.06 H new ATOM 0 HG2 PRO A 25 8.214 -0.312 -16.091 1.00 1.10 H new ATOM 0 HG3 PRO A 25 8.961 -1.309 -14.860 1.00 1.10 H new ATOM 0 HD2 PRO A 25 7.230 0.698 -14.180 1.00 1.05 H new ATOM 0 HD3 PRO A 25 8.578 0.278 -13.141 1.00 1.05 H new ATOM 367 N GLY A 26 8.170 2.699 -16.949 1.00 0.96 N ATOM 368 CA GLY A 26 7.567 3.111 -18.216 1.00 0.97 C ATOM 369 C GLY A 26 7.861 4.565 -18.574 1.00 0.86 C ATOM 370 O GLY A 26 8.278 5.361 -17.737 1.00 0.92 O ATOM 0 H GLY A 26 7.502 2.665 -16.179 1.00 0.96 H new ATOM 0 HA2 GLY A 26 7.935 2.465 -19.013 1.00 0.97 H new ATOM 0 HA3 GLY A 26 6.488 2.967 -18.162 1.00 0.97 H new ATOM 374 N ASP A 27 7.622 4.905 -19.843 1.00 0.82 N ATOM 375 CA ASP A 27 7.826 6.250 -20.404 1.00 0.83 C ATOM 376 C ASP A 27 6.650 7.212 -20.138 1.00 0.87 C ATOM 377 O ASP A 27 6.769 8.418 -20.340 1.00 0.98 O ATOM 378 CB ASP A 27 8.113 6.100 -21.913 1.00 1.02 C ATOM 379 CG ASP A 27 9.040 7.193 -22.455 1.00 2.40 C ATOM 380 OD1 ASP A 27 10.121 7.365 -21.839 1.00 3.00 O ATOM 381 OD2 ASP A 27 8.706 7.794 -23.496 1.00 3.92 O ATOM 0 H ASP A 27 7.272 4.237 -20.530 1.00 0.82 H new ATOM 0 HA ASP A 27 8.676 6.711 -19.900 1.00 0.83 H new ATOM 0 HB2 ASP A 27 8.563 5.125 -22.097 1.00 1.02 H new ATOM 0 HB3 ASP A 27 7.171 6.125 -22.461 1.00 1.02 H new ATOM 386 N LEU A 28 5.528 6.684 -19.633 1.00 0.88 N ATOM 387 CA LEU A 28 4.294 7.413 -19.327 1.00 0.92 C ATOM 388 C LEU A 28 3.897 7.243 -17.841 1.00 0.83 C ATOM 389 O LEU A 28 4.386 6.317 -17.186 1.00 0.79 O ATOM 390 CB LEU A 28 3.226 6.983 -20.358 1.00 1.06 C ATOM 391 CG LEU A 28 2.736 5.518 -20.310 1.00 1.16 C ATOM 392 CD1 LEU A 28 1.746 5.258 -19.163 1.00 1.72 C ATOM 393 CD2 LEU A 28 2.035 5.191 -21.636 1.00 1.27 C ATOM 0 H LEU A 28 5.454 5.690 -19.417 1.00 0.88 H new ATOM 0 HA LEU A 28 4.422 8.491 -19.430 1.00 0.92 H new ATOM 0 HB2 LEU A 28 2.359 7.632 -20.234 1.00 1.06 H new ATOM 0 HB3 LEU A 28 3.626 7.171 -21.354 1.00 1.06 H new ATOM 0 HG LEU A 28 3.609 4.887 -20.144 1.00 1.16 H new ATOM 0 HD11 LEU A 28 1.437 4.213 -19.179 1.00 1.72 H new ATOM 0 HD12 LEU A 28 2.227 5.479 -18.210 1.00 1.72 H new ATOM 0 HD13 LEU A 28 0.872 5.897 -19.285 1.00 1.72 H new ATOM 0 HD21 LEU A 28 1.683 4.159 -21.617 1.00 1.27 H new ATOM 0 HD22 LEU A 28 1.186 5.861 -21.774 1.00 1.27 H new ATOM 0 HD23 LEU A 28 2.737 5.320 -22.460 1.00 1.27 H new ATOM 405 N PRO A 29 3.042 8.119 -17.270 1.00 0.85 N ATOM 406 CA PRO A 29 2.759 8.134 -15.837 1.00 0.82 C ATOM 407 C PRO A 29 1.764 7.035 -15.440 1.00 0.80 C ATOM 408 O PRO A 29 0.905 6.638 -16.227 1.00 0.89 O ATOM 409 CB PRO A 29 2.205 9.532 -15.543 1.00 0.90 C ATOM 410 CG PRO A 29 1.508 9.910 -16.849 1.00 0.98 C ATOM 411 CD PRO A 29 2.342 9.214 -17.928 1.00 0.98 C ATOM 0 HA PRO A 29 3.657 7.929 -15.254 1.00 0.82 H new ATOM 0 HB2 PRO A 29 1.510 9.522 -14.703 1.00 0.90 H new ATOM 0 HB3 PRO A 29 2.999 10.235 -15.291 1.00 0.90 H new ATOM 0 HG2 PRO A 29 0.473 9.569 -16.862 1.00 0.98 H new ATOM 0 HG3 PRO A 29 1.489 10.990 -16.994 1.00 0.98 H new ATOM 0 HD2 PRO A 29 1.705 8.841 -18.730 1.00 0.98 H new ATOM 0 HD3 PRO A 29 3.049 9.910 -18.380 1.00 0.98 H new ATOM 419 N LEU A 30 1.863 6.566 -14.191 1.00 0.72 N ATOM 420 CA LEU A 30 1.066 5.469 -13.633 1.00 0.62 C ATOM 421 C LEU A 30 0.175 5.978 -12.501 1.00 0.60 C ATOM 422 O LEU A 30 0.677 6.511 -11.517 1.00 0.84 O ATOM 423 CB LEU A 30 2.009 4.383 -13.103 1.00 0.66 C ATOM 424 CG LEU A 30 2.065 3.112 -13.965 1.00 0.84 C ATOM 425 CD1 LEU A 30 2.388 3.342 -15.442 1.00 2.35 C ATOM 426 CD2 LEU A 30 3.085 2.142 -13.378 1.00 1.75 C ATOM 0 H LEU A 30 2.524 6.954 -13.518 1.00 0.72 H new ATOM 0 HA LEU A 30 0.429 5.056 -14.415 1.00 0.62 H new ATOM 0 HB2 LEU A 30 3.014 4.798 -13.025 1.00 0.66 H new ATOM 0 HB3 LEU A 30 1.698 4.110 -12.095 1.00 0.66 H new ATOM 0 HG LEU A 30 1.055 2.703 -13.941 1.00 0.84 H new ATOM 0 HD11 LEU A 30 2.404 2.385 -15.964 1.00 2.35 H new ATOM 0 HD12 LEU A 30 1.627 3.984 -15.885 1.00 2.35 H new ATOM 0 HD13 LEU A 30 3.363 3.821 -15.531 1.00 2.35 H new ATOM 0 HD21 LEU A 30 3.124 1.241 -13.990 1.00 1.75 H new ATOM 0 HD22 LEU A 30 4.068 2.613 -13.362 1.00 1.75 H new ATOM 0 HD23 LEU A 30 2.793 1.878 -12.362 1.00 1.75 H new ATOM 438 N ARG A 31 -1.127 5.721 -12.613 1.00 0.57 N ATOM 439 CA ARG A 31 -2.127 5.963 -11.554 1.00 0.52 C ATOM 440 C ARG A 31 -2.605 4.642 -10.949 1.00 0.46 C ATOM 441 O ARG A 31 -3.223 3.831 -11.644 1.00 0.48 O ATOM 442 CB ARG A 31 -3.304 6.805 -12.076 1.00 0.64 C ATOM 443 CG ARG A 31 -4.243 7.243 -10.932 1.00 0.73 C ATOM 444 CD ARG A 31 -5.224 8.358 -11.319 1.00 1.04 C ATOM 445 NE ARG A 31 -4.543 9.654 -11.469 1.00 1.51 N ATOM 446 CZ ARG A 31 -4.795 10.627 -12.329 1.00 1.80 C ATOM 447 NH1 ARG A 31 -5.820 10.586 -13.159 1.00 2.19 N ATOM 448 NH2 ARG A 31 -3.997 11.665 -12.355 1.00 2.79 N ATOM 0 H ARG A 31 -1.534 5.328 -13.462 1.00 0.57 H new ATOM 0 HA ARG A 31 -1.647 6.538 -10.762 1.00 0.52 H new ATOM 0 HB2 ARG A 31 -2.921 7.686 -12.590 1.00 0.64 H new ATOM 0 HB3 ARG A 31 -3.868 6.228 -12.809 1.00 0.64 H new ATOM 0 HG2 ARG A 31 -4.810 6.377 -10.590 1.00 0.73 H new ATOM 0 HG3 ARG A 31 -3.639 7.581 -10.090 1.00 0.73 H new ATOM 0 HD2 ARG A 31 -5.721 8.098 -12.254 1.00 1.04 H new ATOM 0 HD3 ARG A 31 -6.000 8.440 -10.558 1.00 1.04 H new ATOM 0 HE ARG A 31 -3.773 9.825 -10.823 1.00 1.51 H new ATOM 0 HH11 ARG A 31 -6.451 9.784 -13.151 1.00 2.19 H new ATOM 0 HH12 ARG A 31 -5.982 11.356 -13.808 1.00 2.19 H new ATOM 0 HH21 ARG A 31 -3.200 11.712 -11.720 1.00 2.79 H new ATOM 0 HH22 ARG A 31 -4.172 12.427 -13.010 1.00 2.79 H new ATOM 462 N LEU A 32 -2.294 4.445 -9.670 1.00 0.47 N ATOM 463 CA LEU A 32 -2.532 3.259 -8.849 1.00 0.42 C ATOM 464 C LEU A 32 -3.816 3.469 -8.040 1.00 0.44 C ATOM 465 O LEU A 32 -3.866 4.343 -7.185 1.00 0.52 O ATOM 466 CB LEU A 32 -1.282 3.101 -7.961 1.00 0.43 C ATOM 467 CG LEU A 32 -1.373 2.100 -6.789 1.00 0.41 C ATOM 468 CD1 LEU A 32 -1.599 0.666 -7.275 1.00 0.62 C ATOM 469 CD2 LEU A 32 -0.064 2.168 -5.993 1.00 0.69 C ATOM 0 H LEU A 32 -1.827 5.176 -9.134 1.00 0.47 H new ATOM 0 HA LEU A 32 -2.678 2.350 -9.432 1.00 0.42 H new ATOM 0 HB2 LEU A 32 -0.450 2.801 -8.598 1.00 0.43 H new ATOM 0 HB3 LEU A 32 -1.032 4.080 -7.551 1.00 0.43 H new ATOM 0 HG LEU A 32 -2.226 2.372 -6.167 1.00 0.41 H new ATOM 0 HD11 LEU A 32 -1.657 -0.004 -6.417 1.00 0.62 H new ATOM 0 HD12 LEU A 32 -2.531 0.615 -7.838 1.00 0.62 H new ATOM 0 HD13 LEU A 32 -0.771 0.364 -7.916 1.00 0.62 H new ATOM 0 HD21 LEU A 32 -0.108 1.467 -5.159 1.00 0.69 H new ATOM 0 HD22 LEU A 32 0.771 1.907 -6.643 1.00 0.69 H new ATOM 0 HD23 LEU A 32 0.077 3.179 -5.610 1.00 0.69 H new ATOM 481 N VAL A 33 -4.848 2.673 -8.305 1.00 0.44 N ATOM 482 CA VAL A 33 -6.231 2.928 -7.845 1.00 0.45 C ATOM 483 C VAL A 33 -6.714 1.920 -6.792 1.00 0.48 C ATOM 484 O VAL A 33 -7.752 2.121 -6.166 1.00 0.53 O ATOM 485 CB VAL A 33 -7.224 2.984 -9.033 1.00 0.47 C ATOM 486 CG1 VAL A 33 -6.819 4.078 -10.039 1.00 0.52 C ATOM 487 CG2 VAL A 33 -7.357 1.654 -9.797 1.00 0.51 C ATOM 0 H VAL A 33 -4.757 1.817 -8.853 1.00 0.44 H new ATOM 0 HA VAL A 33 -6.205 3.905 -7.362 1.00 0.45 H new ATOM 0 HB VAL A 33 -8.190 3.208 -8.581 1.00 0.47 H new ATOM 0 HG11 VAL A 33 -7.532 4.096 -10.863 1.00 0.52 H new ATOM 0 HG12 VAL A 33 -6.815 5.047 -9.541 1.00 0.52 H new ATOM 0 HG13 VAL A 33 -5.823 3.865 -10.426 1.00 0.52 H new ATOM 0 HG21 VAL A 33 -8.069 1.773 -10.613 1.00 0.51 H new ATOM 0 HG22 VAL A 33 -6.386 1.368 -10.201 1.00 0.51 H new ATOM 0 HG23 VAL A 33 -7.710 0.878 -9.118 1.00 0.51 H new ATOM 497 N GLY A 34 -5.962 0.834 -6.584 1.00 0.49 N ATOM 498 CA GLY A 34 -6.214 -0.149 -5.530 1.00 0.52 C ATOM 499 C GLY A 34 -5.296 -1.355 -5.661 1.00 0.55 C ATOM 500 O GLY A 34 -4.253 -1.281 -6.308 1.00 0.50 O ATOM 0 H GLY A 34 -5.147 0.611 -7.155 1.00 0.49 H new ATOM 0 HA2 GLY A 34 -6.068 0.316 -4.555 1.00 0.52 H new ATOM 0 HA3 GLY A 34 -7.253 -0.475 -5.576 1.00 0.52 H new ATOM 504 N ALA A 35 -5.697 -2.487 -5.082 1.00 0.67 N ATOM 505 CA ALA A 35 -5.016 -3.772 -5.249 1.00 0.69 C ATOM 506 C ALA A 35 -5.964 -4.969 -5.016 1.00 0.77 C ATOM 507 O ALA A 35 -7.143 -4.764 -4.708 1.00 0.90 O ATOM 508 CB ALA A 35 -3.769 -3.801 -4.358 1.00 0.81 C ATOM 0 H ALA A 35 -6.515 -2.538 -4.475 1.00 0.67 H new ATOM 0 HA ALA A 35 -4.691 -3.875 -6.284 1.00 0.69 H new ATOM 0 HB1 ALA A 35 -3.258 -4.756 -4.478 1.00 0.81 H new ATOM 0 HB2 ALA A 35 -3.098 -2.992 -4.645 1.00 0.81 H new ATOM 0 HB3 ALA A 35 -4.063 -3.676 -3.316 1.00 0.81 H new ATOM 514 N ARG A 36 -5.466 -6.206 -5.160 1.00 0.78 N ATOM 515 CA ARG A 36 -6.263 -7.441 -5.080 1.00 0.98 C ATOM 516 C ARG A 36 -5.423 -8.556 -4.477 1.00 0.85 C ATOM 517 O ARG A 36 -4.376 -8.880 -5.018 1.00 0.99 O ATOM 518 CB ARG A 36 -6.731 -7.867 -6.485 1.00 1.33 C ATOM 519 CG ARG A 36 -7.984 -7.134 -6.964 1.00 1.57 C ATOM 520 CD ARG A 36 -9.248 -7.607 -6.226 1.00 2.12 C ATOM 521 NE ARG A 36 -10.333 -6.610 -6.267 1.00 3.75 N ATOM 522 CZ ARG A 36 -11.045 -6.230 -7.322 1.00 4.91 C ATOM 523 NH1 ARG A 36 -10.850 -6.730 -8.525 1.00 4.92 N ATOM 524 NH2 ARG A 36 -11.988 -5.325 -7.161 1.00 6.63 N ATOM 0 H ARG A 36 -4.477 -6.380 -5.339 1.00 0.78 H new ATOM 0 HA ARG A 36 -7.134 -7.253 -4.452 1.00 0.98 H new ATOM 0 HB2 ARG A 36 -5.924 -7.691 -7.196 1.00 1.33 H new ATOM 0 HB3 ARG A 36 -6.926 -8.939 -6.484 1.00 1.33 H new ATOM 0 HG2 ARG A 36 -7.856 -6.062 -6.813 1.00 1.57 H new ATOM 0 HG3 ARG A 36 -8.109 -7.293 -8.035 1.00 1.57 H new ATOM 0 HD2 ARG A 36 -9.598 -8.538 -6.672 1.00 2.12 H new ATOM 0 HD3 ARG A 36 -8.998 -7.825 -5.188 1.00 2.12 H new ATOM 0 HE ARG A 36 -10.564 -6.159 -5.382 1.00 3.75 H new ATOM 0 HH11 ARG A 36 -10.130 -7.437 -8.673 1.00 4.92 H new ATOM 0 HH12 ARG A 36 -11.419 -6.410 -9.309 1.00 4.92 H new ATOM 0 HH21 ARG A 36 -12.162 -4.928 -6.238 1.00 6.63 H new ATOM 0 HH22 ARG A 36 -12.545 -5.021 -7.960 1.00 6.63 H new ATOM 538 N THR A 37 -5.883 -9.122 -3.364 1.00 0.65 N ATOM 539 CA THR A 37 -5.151 -10.037 -2.478 1.00 0.52 C ATOM 540 C THR A 37 -6.131 -11.068 -1.906 1.00 0.58 C ATOM 541 O THR A 37 -7.323 -10.761 -1.869 1.00 0.65 O ATOM 542 CB THR A 37 -4.508 -9.221 -1.356 1.00 0.66 C ATOM 543 OG1 THR A 37 -3.737 -10.082 -0.562 1.00 0.76 O ATOM 544 CG2 THR A 37 -5.471 -8.468 -0.441 1.00 0.84 C ATOM 0 H THR A 37 -6.832 -8.947 -3.033 1.00 0.65 H new ATOM 0 HA THR A 37 -4.370 -10.564 -3.026 1.00 0.52 H new ATOM 0 HB THR A 37 -3.921 -8.454 -1.862 1.00 0.66 H new ATOM 0 HG1 THR A 37 -2.938 -10.358 -1.059 1.00 0.76 H new ATOM 0 HG21 THR A 37 -4.905 -7.925 0.316 1.00 0.84 H new ATOM 0 HG22 THR A 37 -6.057 -7.763 -1.031 1.00 0.84 H new ATOM 0 HG23 THR A 37 -6.140 -9.177 0.046 1.00 0.84 H new ATOM 552 N PRO A 38 -5.682 -12.229 -1.390 1.00 0.87 N ATOM 553 CA PRO A 38 -6.464 -13.008 -0.441 1.00 1.25 C ATOM 554 C PRO A 38 -6.526 -12.362 0.947 1.00 1.46 C ATOM 555 O PRO A 38 -7.532 -12.529 1.627 1.00 1.93 O ATOM 556 CB PRO A 38 -5.767 -14.366 -0.370 1.00 1.65 C ATOM 557 CG PRO A 38 -4.313 -14.065 -0.721 1.00 1.45 C ATOM 558 CD PRO A 38 -4.448 -12.924 -1.725 1.00 1.06 C ATOM 0 HA PRO A 38 -7.501 -13.082 -0.768 1.00 1.25 H new ATOM 0 HB2 PRO A 38 -5.853 -14.805 0.624 1.00 1.65 H new ATOM 0 HB3 PRO A 38 -6.206 -15.075 -1.071 1.00 1.65 H new ATOM 0 HG2 PRO A 38 -3.736 -13.769 0.155 1.00 1.45 H new ATOM 0 HG3 PRO A 38 -3.812 -14.931 -1.155 1.00 1.45 H new ATOM 0 HD2 PRO A 38 -3.593 -12.250 -1.665 1.00 1.06 H new ATOM 0 HD3 PRO A 38 -4.482 -13.306 -2.745 1.00 1.06 H new ATOM 566 N VAL A 39 -5.492 -11.626 1.381 1.00 1.29 N ATOM 567 CA VAL A 39 -5.360 -11.143 2.778 1.00 1.65 C ATOM 568 C VAL A 39 -6.132 -9.843 3.062 1.00 1.88 C ATOM 569 O VAL A 39 -5.750 -9.042 3.911 1.00 2.70 O ATOM 570 CB VAL A 39 -3.897 -11.106 3.294 1.00 1.53 C ATOM 571 CG1 VAL A 39 -3.229 -12.465 3.013 1.00 1.46 C ATOM 572 CG2 VAL A 39 -3.019 -9.987 2.708 1.00 1.28 C ATOM 0 H VAL A 39 -4.719 -11.345 0.778 1.00 1.29 H new ATOM 0 HA VAL A 39 -5.856 -11.908 3.375 1.00 1.65 H new ATOM 0 HB VAL A 39 -3.970 -10.893 4.360 1.00 1.53 H new ATOM 0 HG11 VAL A 39 -2.200 -12.446 3.373 1.00 1.46 H new ATOM 0 HG12 VAL A 39 -3.779 -13.254 3.526 1.00 1.46 H new ATOM 0 HG13 VAL A 39 -3.234 -12.658 1.940 1.00 1.46 H new ATOM 0 HG21 VAL A 39 -2.017 -10.050 3.133 1.00 1.28 H new ATOM 0 HG22 VAL A 39 -2.961 -10.099 1.625 1.00 1.28 H new ATOM 0 HG23 VAL A 39 -3.455 -9.018 2.950 1.00 1.28 H new ATOM 582 N ALA A 40 -7.255 -9.664 2.369 1.00 1.32 N ATOM 583 CA ALA A 40 -8.268 -8.623 2.547 1.00 1.32 C ATOM 584 C ALA A 40 -9.482 -8.946 1.672 1.00 0.98 C ATOM 585 O ALA A 40 -9.380 -9.702 0.708 1.00 0.92 O ATOM 586 CB ALA A 40 -7.706 -7.233 2.215 1.00 1.55 C ATOM 0 H ALA A 40 -7.501 -10.295 1.606 1.00 1.32 H new ATOM 0 HA ALA A 40 -8.573 -8.603 3.593 1.00 1.32 H new ATOM 0 HB1 ALA A 40 -8.484 -6.483 2.357 1.00 1.55 H new ATOM 0 HB2 ALA A 40 -6.865 -7.014 2.873 1.00 1.55 H new ATOM 0 HB3 ALA A 40 -7.370 -7.215 1.178 1.00 1.55 H new ATOM 592 N GLU A 41 -10.610 -8.329 2.007 1.00 1.08 N ATOM 593 CA GLU A 41 -11.754 -8.165 1.121 1.00 1.18 C ATOM 594 C GLU A 41 -11.731 -6.695 0.676 1.00 1.14 C ATOM 595 O GLU A 41 -11.143 -6.336 -0.352 1.00 1.40 O ATOM 596 CB GLU A 41 -13.026 -8.587 1.882 1.00 1.32 C ATOM 597 CG GLU A 41 -14.266 -8.683 0.990 1.00 1.64 C ATOM 598 CD GLU A 41 -14.180 -9.917 0.097 1.00 2.24 C ATOM 599 OE1 GLU A 41 -14.609 -11.004 0.545 1.00 2.51 O ATOM 600 OE2 GLU A 41 -13.514 -9.859 -0.961 1.00 3.48 O ATOM 0 H GLU A 41 -10.757 -7.918 2.929 1.00 1.08 H new ATOM 0 HA GLU A 41 -11.727 -8.791 0.229 1.00 1.18 H new ATOM 0 HB2 GLU A 41 -12.853 -9.553 2.356 1.00 1.32 H new ATOM 0 HB3 GLU A 41 -13.217 -7.870 2.681 1.00 1.32 H new ATOM 0 HG2 GLU A 41 -15.163 -8.734 1.607 1.00 1.64 H new ATOM 0 HG3 GLU A 41 -14.351 -7.786 0.376 1.00 1.64 H new ATOM 607 N ARG A 42 -12.228 -5.800 1.537 1.00 1.10 N ATOM 608 CA ARG A 42 -12.022 -4.366 1.390 1.00 1.05 C ATOM 609 C ARG A 42 -10.589 -3.999 1.801 1.00 0.91 C ATOM 610 O ARG A 42 -10.328 -3.576 2.924 1.00 1.59 O ATOM 611 CB ARG A 42 -13.072 -3.584 2.185 1.00 1.17 C ATOM 612 CG ARG A 42 -13.016 -2.099 1.786 1.00 1.53 C ATOM 613 CD ARG A 42 -13.246 -1.171 2.978 1.00 1.73 C ATOM 614 NE ARG A 42 -14.599 -1.257 3.556 1.00 1.97 N ATOM 615 CZ ARG A 42 -14.988 -0.576 4.632 1.00 2.79 C ATOM 616 NH1 ARG A 42 -14.161 0.188 5.315 1.00 3.49 N ATOM 617 NH2 ARG A 42 -16.239 -0.644 5.038 1.00 3.65 N ATOM 0 H ARG A 42 -12.784 -6.056 2.353 1.00 1.10 H new ATOM 0 HA ARG A 42 -12.147 -4.089 0.343 1.00 1.05 H new ATOM 0 HB2 ARG A 42 -14.066 -3.987 1.990 1.00 1.17 H new ATOM 0 HB3 ARG A 42 -12.889 -3.692 3.254 1.00 1.17 H new ATOM 0 HG2 ARG A 42 -12.046 -1.881 1.340 1.00 1.53 H new ATOM 0 HG3 ARG A 42 -13.769 -1.901 1.023 1.00 1.53 H new ATOM 0 HD2 ARG A 42 -12.516 -1.405 3.753 1.00 1.73 H new ATOM 0 HD3 ARG A 42 -13.061 -0.143 2.666 1.00 1.73 H new ATOM 0 HE ARG A 42 -15.276 -1.873 3.106 1.00 1.97 H new ATOM 0 HH11 ARG A 42 -13.187 0.273 5.024 1.00 3.49 H new ATOM 0 HH12 ARG A 42 -14.495 0.695 6.135 1.00 3.49 H new ATOM 0 HH21 ARG A 42 -16.910 -1.218 4.528 1.00 3.65 H new ATOM 0 HH22 ARG A 42 -16.537 -0.122 5.862 1.00 3.65 H new ATOM 631 N VAL A 43 -9.672 -4.132 0.851 1.00 0.64 N ATOM 632 CA VAL A 43 -8.366 -3.447 0.874 1.00 0.70 C ATOM 633 C VAL A 43 -8.562 -1.952 0.575 1.00 0.76 C ATOM 634 O VAL A 43 -9.344 -1.601 -0.308 1.00 0.93 O ATOM 635 CB VAL A 43 -7.343 -4.104 -0.087 1.00 0.94 C ATOM 636 CG1 VAL A 43 -7.830 -4.220 -1.541 1.00 1.19 C ATOM 637 CG2 VAL A 43 -5.977 -3.398 -0.068 1.00 1.05 C ATOM 0 H VAL A 43 -9.806 -4.722 0.030 1.00 0.64 H new ATOM 0 HA VAL A 43 -7.941 -3.548 1.873 1.00 0.70 H new ATOM 0 HB VAL A 43 -7.232 -5.115 0.305 1.00 0.94 H new ATOM 0 HG11 VAL A 43 -7.056 -4.690 -2.148 1.00 1.19 H new ATOM 0 HG12 VAL A 43 -8.735 -4.826 -1.574 1.00 1.19 H new ATOM 0 HG13 VAL A 43 -8.045 -3.226 -1.933 1.00 1.19 H new ATOM 0 HG21 VAL A 43 -5.299 -3.899 -0.759 1.00 1.05 H new ATOM 0 HG22 VAL A 43 -6.101 -2.358 -0.371 1.00 1.05 H new ATOM 0 HG23 VAL A 43 -5.562 -3.436 0.939 1.00 1.05 H new ATOM 647 N GLU A 44 -7.871 -1.075 1.311 1.00 0.77 N ATOM 648 CA GLU A 44 -7.951 0.388 1.169 1.00 0.83 C ATOM 649 C GLU A 44 -6.545 1.002 1.086 1.00 0.77 C ATOM 650 O GLU A 44 -5.760 0.833 2.018 1.00 0.78 O ATOM 651 CB GLU A 44 -8.644 1.010 2.400 1.00 0.96 C ATOM 652 CG GLU A 44 -10.103 0.597 2.638 1.00 1.10 C ATOM 653 CD GLU A 44 -10.705 1.280 3.875 1.00 1.41 C ATOM 654 OE1 GLU A 44 -10.342 2.440 4.166 1.00 2.30 O ATOM 655 OE2 GLU A 44 -11.590 0.657 4.506 1.00 2.05 O ATOM 0 H GLU A 44 -7.223 -1.368 2.042 1.00 0.77 H new ATOM 0 HA GLU A 44 -8.515 0.595 0.259 1.00 0.83 H new ATOM 0 HB2 GLU A 44 -8.066 0.750 3.286 1.00 0.96 H new ATOM 0 HB3 GLU A 44 -8.607 2.095 2.302 1.00 0.96 H new ATOM 0 HG2 GLU A 44 -10.698 0.849 1.760 1.00 1.10 H new ATOM 0 HG3 GLU A 44 -10.157 -0.485 2.760 1.00 1.10 H new ATOM 662 N LEU A 45 -6.202 1.750 0.024 1.00 0.74 N ATOM 663 CA LEU A 45 -4.986 2.547 0.016 1.00 0.70 C ATOM 664 C LEU A 45 -5.193 3.855 0.790 1.00 0.64 C ATOM 665 O LEU A 45 -6.024 4.696 0.434 1.00 0.64 O ATOM 666 CB LEU A 45 -4.533 2.756 -1.432 1.00 0.73 C ATOM 667 CG LEU A 45 -3.083 3.265 -1.482 1.00 0.68 C ATOM 668 CD1 LEU A 45 -2.406 2.795 -2.758 1.00 0.70 C ATOM 669 CD2 LEU A 45 -3.014 4.784 -1.499 1.00 0.71 C ATOM 0 H LEU A 45 -6.754 1.813 -0.832 1.00 0.74 H new ATOM 0 HA LEU A 45 -4.183 2.023 0.534 1.00 0.70 H new ATOM 0 HB2 LEU A 45 -4.613 1.818 -1.982 1.00 0.73 H new ATOM 0 HB3 LEU A 45 -5.192 3.472 -1.924 1.00 0.73 H new ATOM 0 HG LEU A 45 -2.591 2.875 -0.591 1.00 0.68 H new ATOM 0 HD11 LEU A 45 -1.380 3.162 -2.782 1.00 0.70 H new ATOM 0 HD12 LEU A 45 -2.403 1.705 -2.788 1.00 0.70 H new ATOM 0 HD13 LEU A 45 -2.949 3.180 -3.621 1.00 0.70 H new ATOM 0 HD21 LEU A 45 -1.972 5.100 -1.534 1.00 0.71 H new ATOM 0 HD22 LEU A 45 -3.538 5.162 -2.377 1.00 0.71 H new ATOM 0 HD23 LEU A 45 -3.483 5.180 -0.598 1.00 0.71 H new ATOM 681 N HIS A 46 -4.399 4.017 1.844 1.00 0.61 N ATOM 682 CA HIS A 46 -4.358 5.181 2.723 1.00 0.59 C ATOM 683 C HIS A 46 -3.093 6.038 2.499 1.00 0.53 C ATOM 684 O HIS A 46 -2.046 5.556 2.050 1.00 0.50 O ATOM 685 CB HIS A 46 -4.443 4.728 4.198 1.00 0.66 C ATOM 686 CG HIS A 46 -5.786 4.277 4.736 1.00 0.72 C ATOM 687 ND1 HIS A 46 -6.156 4.334 6.084 1.00 0.82 N ATOM 688 CD2 HIS A 46 -6.854 3.808 4.027 1.00 0.70 C ATOM 689 CE1 HIS A 46 -7.412 3.860 6.145 1.00 0.83 C ATOM 690 NE2 HIS A 46 -7.855 3.523 4.926 1.00 0.76 N ATOM 0 H HIS A 46 -3.730 3.300 2.123 1.00 0.61 H new ATOM 0 HA HIS A 46 -5.217 5.807 2.481 1.00 0.59 H new ATOM 0 HB2 HIS A 46 -3.738 3.908 4.335 1.00 0.66 H new ATOM 0 HB3 HIS A 46 -4.096 5.554 4.820 1.00 0.66 H new ATOM 0 HD2 HIS A 46 -6.904 3.683 2.955 1.00 0.70 H new ATOM 0 HE1 HIS A 46 -7.987 3.764 7.054 1.00 0.83 H new ATOM 0 HE2 HIS A 46 -8.769 3.127 4.705 1.00 0.76 H new ATOM 698 N GLU A 47 -3.201 7.315 2.864 1.00 0.54 N ATOM 699 CA GLU A 47 -2.104 8.285 2.901 1.00 0.49 C ATOM 700 C GLU A 47 -1.770 8.715 4.340 1.00 0.51 C ATOM 701 O GLU A 47 -2.353 8.226 5.311 1.00 0.63 O ATOM 702 CB GLU A 47 -2.443 9.503 2.024 1.00 0.66 C ATOM 703 CG GLU A 47 -3.595 10.359 2.572 1.00 0.69 C ATOM 704 CD GLU A 47 -3.624 11.758 1.961 1.00 1.09 C ATOM 705 OE1 GLU A 47 -2.554 12.393 1.874 1.00 2.04 O ATOM 706 OE2 GLU A 47 -4.740 12.245 1.688 1.00 1.67 O ATOM 0 H GLU A 47 -4.091 7.720 3.154 1.00 0.54 H new ATOM 0 HA GLU A 47 -1.214 7.801 2.499 1.00 0.49 H new ATOM 0 HB2 GLU A 47 -1.554 10.126 1.925 1.00 0.66 H new ATOM 0 HB3 GLU A 47 -2.703 9.158 1.023 1.00 0.66 H new ATOM 0 HG2 GLU A 47 -4.543 9.859 2.372 1.00 0.69 H new ATOM 0 HG3 GLU A 47 -3.500 10.441 3.655 1.00 0.69 H new ATOM 713 N THR A 48 -0.831 9.650 4.497 1.00 0.71 N ATOM 714 CA THR A 48 -0.431 10.232 5.781 1.00 0.88 C ATOM 715 C THR A 48 0.038 11.660 5.538 1.00 1.03 C ATOM 716 O THR A 48 1.228 11.952 5.467 1.00 1.10 O ATOM 717 CB THR A 48 0.643 9.371 6.448 1.00 0.99 C ATOM 718 OG1 THR A 48 0.146 8.058 6.586 1.00 1.00 O ATOM 719 CG2 THR A 48 1.009 9.896 7.834 1.00 1.22 C ATOM 0 H THR A 48 -0.311 10.036 3.709 1.00 0.71 H new ATOM 0 HA THR A 48 -1.276 10.257 6.469 1.00 0.88 H new ATOM 0 HB THR A 48 1.536 9.397 5.824 1.00 0.99 H new ATOM 0 HG1 THR A 48 0.825 7.494 7.011 1.00 1.00 H new ATOM 0 HG21 THR A 48 1.775 9.257 8.274 1.00 1.22 H new ATOM 0 HG22 THR A 48 1.390 10.914 7.749 1.00 1.22 H new ATOM 0 HG23 THR A 48 0.124 9.892 8.470 1.00 1.22 H new ATOM 727 N PHE A 49 -0.935 12.553 5.399 1.00 1.47 N ATOM 728 CA PHE A 49 -0.706 13.991 5.305 1.00 1.47 C ATOM 729 C PHE A 49 -0.568 14.595 6.699 1.00 1.36 C ATOM 730 O PHE A 49 -1.235 14.171 7.646 1.00 1.57 O ATOM 731 CB PHE A 49 -1.845 14.688 4.541 1.00 1.66 C ATOM 732 CG PHE A 49 -3.208 14.589 5.206 1.00 1.75 C ATOM 733 CD1 PHE A 49 -3.966 13.414 5.067 1.00 2.53 C ATOM 734 CD2 PHE A 49 -3.698 15.636 6.014 1.00 2.59 C ATOM 735 CE1 PHE A 49 -5.192 13.281 5.727 1.00 2.65 C ATOM 736 CE2 PHE A 49 -4.929 15.501 6.681 1.00 2.60 C ATOM 737 CZ PHE A 49 -5.677 14.320 6.530 1.00 1.94 C ATOM 0 H PHE A 49 -1.920 12.295 5.348 1.00 1.47 H new ATOM 0 HA PHE A 49 0.220 14.148 4.752 1.00 1.47 H new ATOM 0 HB2 PHE A 49 -1.591 15.741 4.418 1.00 1.66 H new ATOM 0 HB3 PHE A 49 -1.911 14.257 3.542 1.00 1.66 H new ATOM 0 HD1 PHE A 49 -3.600 12.609 4.447 1.00 2.53 H new ATOM 0 HD2 PHE A 49 -3.125 16.545 6.121 1.00 2.59 H new ATOM 0 HE1 PHE A 49 -5.767 12.373 5.617 1.00 2.65 H new ATOM 0 HE2 PHE A 49 -5.298 16.301 7.306 1.00 2.60 H new ATOM 0 HZ PHE A 49 -6.626 14.214 7.034 1.00 1.94 H new ATOM 747 N MET A 50 0.239 15.651 6.796 1.00 1.23 N ATOM 748 CA MET A 50 0.241 16.556 7.949 1.00 1.18 C ATOM 749 C MET A 50 -0.731 17.722 7.735 1.00 1.21 C ATOM 750 O MET A 50 -1.030 18.101 6.604 1.00 1.65 O ATOM 751 CB MET A 50 1.662 17.044 8.271 1.00 1.36 C ATOM 752 CG MET A 50 2.277 17.937 7.187 1.00 2.43 C ATOM 753 SD MET A 50 3.814 18.716 7.728 1.00 2.93 S ATOM 754 CE MET A 50 4.099 19.780 6.294 1.00 3.67 C ATOM 0 H MET A 50 0.914 15.906 6.075 1.00 1.23 H new ATOM 0 HA MET A 50 -0.110 15.998 8.817 1.00 1.18 H new ATOM 0 HB2 MET A 50 1.641 17.594 9.212 1.00 1.36 H new ATOM 0 HB3 MET A 50 2.307 16.178 8.422 1.00 1.36 H new ATOM 0 HG2 MET A 50 2.469 17.341 6.295 1.00 2.43 H new ATOM 0 HG3 MET A 50 1.561 18.709 6.906 1.00 2.43 H new ATOM 0 HE1 MET A 50 5.016 20.350 6.441 1.00 3.67 H new ATOM 0 HE2 MET A 50 4.193 19.166 5.398 1.00 3.67 H new ATOM 0 HE3 MET A 50 3.260 20.466 6.177 1.00 3.67 H new ATOM 764 N ARG A 51 -1.205 18.307 8.836 1.00 1.06 N ATOM 765 CA ARG A 51 -2.176 19.404 8.872 1.00 1.13 C ATOM 766 C ARG A 51 -1.962 20.251 10.132 1.00 1.18 C ATOM 767 O ARG A 51 -1.568 19.708 11.169 1.00 1.21 O ATOM 768 CB ARG A 51 -3.594 18.803 8.876 1.00 1.22 C ATOM 769 CG ARG A 51 -4.675 19.806 8.440 1.00 2.45 C ATOM 770 CD ARG A 51 -6.023 19.467 9.084 1.00 3.21 C ATOM 771 NE ARG A 51 -7.047 20.473 8.747 1.00 4.47 N ATOM 772 CZ ARG A 51 -7.852 20.490 7.692 1.00 5.27 C ATOM 773 NH1 ARG A 51 -7.776 19.585 6.736 1.00 5.24 N ATOM 774 NH2 ARG A 51 -8.760 21.433 7.578 1.00 6.54 N ATOM 0 H ARG A 51 -0.910 18.017 9.768 1.00 1.06 H new ATOM 0 HA ARG A 51 -2.047 20.044 7.999 1.00 1.13 H new ATOM 0 HB2 ARG A 51 -3.618 17.940 8.211 1.00 1.22 H new ATOM 0 HB3 ARG A 51 -3.826 18.440 9.877 1.00 1.22 H new ATOM 0 HG2 ARG A 51 -4.376 20.815 8.722 1.00 2.45 H new ATOM 0 HG3 ARG A 51 -4.772 19.794 7.354 1.00 2.45 H new ATOM 0 HD2 ARG A 51 -6.352 18.484 8.748 1.00 3.21 H new ATOM 0 HD3 ARG A 51 -5.907 19.411 10.166 1.00 3.21 H new ATOM 0 HE ARG A 51 -7.149 21.248 9.403 1.00 4.47 H new ATOM 0 HH11 ARG A 51 -7.082 18.840 6.793 1.00 5.24 H new ATOM 0 HH12 ARG A 51 -8.412 19.630 5.940 1.00 5.24 H new ATOM 0 HH21 ARG A 51 -8.845 22.149 8.299 1.00 6.54 H new ATOM 0 HH22 ARG A 51 -9.380 21.449 6.768 1.00 6.54 H new ATOM 788 N GLU A 52 -2.257 21.546 10.053 1.00 1.29 N ATOM 789 CA GLU A 52 -2.419 22.403 11.228 1.00 1.35 C ATOM 790 C GLU A 52 -3.866 22.414 11.728 1.00 1.43 C ATOM 791 O GLU A 52 -4.798 21.980 11.044 1.00 1.43 O ATOM 792 CB GLU A 52 -1.965 23.838 10.947 1.00 1.53 C ATOM 793 CG GLU A 52 -0.452 23.926 10.800 1.00 2.15 C ATOM 794 CD GLU A 52 0.372 23.812 12.082 1.00 2.59 C ATOM 795 OE1 GLU A 52 -0.147 23.386 13.138 1.00 3.54 O ATOM 796 OE2 GLU A 52 1.581 24.121 12.032 1.00 3.48 O ATOM 0 H GLU A 52 -2.391 22.035 9.168 1.00 1.29 H new ATOM 0 HA GLU A 52 -1.784 21.980 12.007 1.00 1.35 H new ATOM 0 HB2 GLU A 52 -2.442 24.200 10.036 1.00 1.53 H new ATOM 0 HB3 GLU A 52 -2.291 24.489 11.758 1.00 1.53 H new ATOM 0 HG2 GLU A 52 -0.130 23.139 10.118 1.00 2.15 H new ATOM 0 HG3 GLU A 52 -0.211 24.877 10.325 1.00 2.15 H new ATOM 803 N VAL A 53 -3.996 22.986 12.918 1.00 1.73 N ATOM 804 CA VAL A 53 -5.240 23.428 13.579 1.00 2.17 C ATOM 805 C VAL A 53 -4.963 24.814 14.201 1.00 2.77 C ATOM 806 O VAL A 53 -4.423 25.661 13.491 1.00 4.06 O ATOM 807 CB VAL A 53 -5.824 22.374 14.563 1.00 2.35 C ATOM 808 CG1 VAL A 53 -7.338 22.610 14.711 1.00 3.16 C ATOM 809 CG2 VAL A 53 -5.640 20.907 14.125 1.00 2.40 C ATOM 0 H VAL A 53 -3.179 23.172 13.499 1.00 1.73 H new ATOM 0 HA VAL A 53 -6.043 23.527 12.849 1.00 2.17 H new ATOM 0 HB VAL A 53 -5.271 22.511 15.492 1.00 2.35 H new ATOM 0 HG11 VAL A 53 -7.755 21.875 15.399 1.00 3.16 H new ATOM 0 HG12 VAL A 53 -7.514 23.613 15.101 1.00 3.16 H new ATOM 0 HG13 VAL A 53 -7.819 22.510 13.738 1.00 3.16 H new ATOM 0 HG21 VAL A 53 -6.078 20.246 14.873 1.00 2.40 H new ATOM 0 HG22 VAL A 53 -6.134 20.749 13.167 1.00 2.40 H new ATOM 0 HG23 VAL A 53 -4.577 20.688 14.025 1.00 2.40 H new ATOM 819 N GLU A 54 -5.245 25.076 15.487 1.00 2.34 N ATOM 820 CA GLU A 54 -4.881 26.338 16.168 1.00 2.75 C ATOM 821 C GLU A 54 -3.376 26.364 16.528 1.00 2.14 C ATOM 822 O GLU A 54 -2.986 26.357 17.694 1.00 1.99 O ATOM 823 CB GLU A 54 -5.775 26.640 17.397 1.00 3.60 C ATOM 824 CG GLU A 54 -7.254 26.227 17.306 1.00 3.94 C ATOM 825 CD GLU A 54 -7.454 24.868 17.973 1.00 4.13 C ATOM 826 OE1 GLU A 54 -6.821 23.884 17.525 1.00 4.64 O ATOM 827 OE2 GLU A 54 -8.102 24.792 19.039 1.00 4.58 O ATOM 0 H GLU A 54 -5.735 24.417 16.091 1.00 2.34 H new ATOM 0 HA GLU A 54 -5.069 27.143 15.458 1.00 2.75 H new ATOM 0 HB2 GLU A 54 -5.338 26.144 18.263 1.00 3.60 H new ATOM 0 HB3 GLU A 54 -5.734 27.712 17.590 1.00 3.60 H new ATOM 0 HG2 GLU A 54 -7.881 26.976 17.791 1.00 3.94 H new ATOM 0 HG3 GLU A 54 -7.564 26.179 16.262 1.00 3.94 H new ATOM 834 N GLY A 55 -2.509 26.275 15.512 1.00 2.08 N ATOM 835 CA GLY A 55 -1.057 26.089 15.665 1.00 1.99 C ATOM 836 C GLY A 55 -0.653 24.683 16.131 1.00 1.61 C ATOM 837 O GLY A 55 0.531 24.414 16.339 1.00 2.22 O ATOM 0 H GLY A 55 -2.802 26.331 14.537 1.00 2.08 H new ATOM 0 HA2 GLY A 55 -0.572 26.298 14.712 1.00 1.99 H new ATOM 0 HA3 GLY A 55 -0.681 26.820 16.381 1.00 1.99 H new ATOM 841 N LYS A 56 -1.616 23.770 16.291 1.00 1.25 N ATOM 842 CA LYS A 56 -1.401 22.366 16.605 1.00 1.59 C ATOM 843 C LYS A 56 -1.209 21.564 15.313 1.00 1.36 C ATOM 844 O LYS A 56 -2.082 21.570 14.450 1.00 1.24 O ATOM 845 CB LYS A 56 -2.629 21.826 17.340 1.00 2.25 C ATOM 846 CG LYS A 56 -3.083 22.614 18.580 1.00 2.68 C ATOM 847 CD LYS A 56 -4.456 22.099 19.032 1.00 3.80 C ATOM 848 CE LYS A 56 -5.080 23.043 20.065 1.00 3.80 C ATOM 849 NZ LYS A 56 -6.553 22.880 20.095 1.00 4.56 N ATOM 0 H LYS A 56 -2.604 24.005 16.200 1.00 1.25 H new ATOM 0 HA LYS A 56 -0.512 22.270 17.228 1.00 1.59 H new ATOM 0 HB2 LYS A 56 -3.460 21.788 16.636 1.00 2.25 H new ATOM 0 HB3 LYS A 56 -2.422 20.800 17.644 1.00 2.25 H new ATOM 0 HG2 LYS A 56 -2.356 22.500 19.384 1.00 2.68 H new ATOM 0 HG3 LYS A 56 -3.139 23.678 18.349 1.00 2.68 H new ATOM 0 HD2 LYS A 56 -5.117 22.008 18.170 1.00 3.80 H new ATOM 0 HD3 LYS A 56 -4.352 21.102 19.460 1.00 3.80 H new ATOM 0 HE2 LYS A 56 -4.665 22.837 21.052 1.00 3.80 H new ATOM 0 HE3 LYS A 56 -4.827 24.075 19.822 1.00 3.80 H new ATOM 0 HZ1 LYS A 56 -7.003 23.812 20.195 1.00 4.56 H new ATOM 0 HZ2 LYS A 56 -6.871 22.435 19.211 1.00 4.56 H new ATOM 0 HZ3 LYS A 56 -6.819 22.279 20.901 1.00 4.56 H new ATOM 863 N LYS A 57 -0.116 20.810 15.210 1.00 1.55 N ATOM 864 CA LYS A 57 0.148 19.951 14.046 1.00 1.42 C ATOM 865 C LYS A 57 -0.370 18.518 14.276 1.00 1.44 C ATOM 866 O LYS A 57 -0.095 17.934 15.321 1.00 1.76 O ATOM 867 CB LYS A 57 1.626 19.985 13.612 1.00 1.66 C ATOM 868 CG LYS A 57 2.702 19.880 14.711 1.00 2.70 C ATOM 869 CD LYS A 57 3.042 21.179 15.472 1.00 3.81 C ATOM 870 CE LYS A 57 3.340 22.355 14.528 1.00 3.92 C ATOM 871 NZ LYS A 57 2.231 23.331 14.461 1.00 5.01 N ATOM 0 H LYS A 57 0.611 20.774 15.924 1.00 1.55 H new ATOM 0 HA LYS A 57 -0.416 20.362 13.209 1.00 1.42 H new ATOM 0 HB2 LYS A 57 1.787 19.169 12.907 1.00 1.66 H new ATOM 0 HB3 LYS A 57 1.794 20.914 13.067 1.00 1.66 H new ATOM 0 HG2 LYS A 57 2.376 19.135 15.437 1.00 2.70 H new ATOM 0 HG3 LYS A 57 3.618 19.502 14.256 1.00 2.70 H new ATOM 0 HD2 LYS A 57 2.209 21.443 16.124 1.00 3.81 H new ATOM 0 HD3 LYS A 57 3.906 21.005 16.114 1.00 3.81 H new ATOM 0 HE2 LYS A 57 4.245 22.863 14.862 1.00 3.92 H new ATOM 0 HE3 LYS A 57 3.541 21.970 13.528 1.00 3.92 H new ATOM 0 HZ1 LYS A 57 2.392 23.986 13.670 1.00 5.01 H new ATOM 0 HZ2 LYS A 57 1.333 22.827 14.315 1.00 5.01 H new ATOM 0 HZ3 LYS A 57 2.186 23.867 15.351 1.00 5.01 H new ATOM 885 N VAL A 58 -1.101 17.958 13.308 1.00 1.29 N ATOM 886 CA VAL A 58 -1.767 16.637 13.376 1.00 1.45 C ATOM 887 C VAL A 58 -1.622 15.906 12.031 1.00 1.42 C ATOM 888 O VAL A 58 -1.699 16.551 10.987 1.00 1.45 O ATOM 889 CB VAL A 58 -3.270 16.803 13.727 1.00 1.62 C ATOM 890 CG1 VAL A 58 -4.018 15.460 13.776 1.00 2.04 C ATOM 891 CG2 VAL A 58 -3.472 17.522 15.075 1.00 1.76 C ATOM 0 H VAL A 58 -1.257 18.425 12.415 1.00 1.29 H new ATOM 0 HA VAL A 58 -1.289 16.047 14.158 1.00 1.45 H new ATOM 0 HB VAL A 58 -3.685 17.410 12.922 1.00 1.62 H new ATOM 0 HG11 VAL A 58 -5.064 15.635 14.026 1.00 2.04 H new ATOM 0 HG12 VAL A 58 -3.954 14.972 12.803 1.00 2.04 H new ATOM 0 HG13 VAL A 58 -3.567 14.820 14.534 1.00 2.04 H new ATOM 0 HG21 VAL A 58 -4.538 17.617 15.281 1.00 1.76 H new ATOM 0 HG22 VAL A 58 -2.999 16.945 15.870 1.00 1.76 H new ATOM 0 HG23 VAL A 58 -3.022 18.514 15.029 1.00 1.76 H new ATOM 901 N MET A 59 -1.442 14.578 12.042 1.00 1.52 N ATOM 902 CA MET A 59 -1.390 13.737 10.833 1.00 1.56 C ATOM 903 C MET A 59 -2.661 12.885 10.726 1.00 1.61 C ATOM 904 O MET A 59 -2.977 12.128 11.641 1.00 1.75 O ATOM 905 CB MET A 59 -0.131 12.855 10.828 1.00 1.69 C ATOM 906 CG MET A 59 1.126 13.599 10.348 1.00 2.33 C ATOM 907 SD MET A 59 1.680 15.052 11.292 1.00 3.44 S ATOM 908 CE MET A 59 2.105 14.266 12.866 1.00 2.95 C ATOM 0 H MET A 59 -1.326 14.047 12.905 1.00 1.52 H new ATOM 0 HA MET A 59 -1.338 14.389 9.961 1.00 1.56 H new ATOM 0 HB2 MET A 59 0.042 12.474 11.834 1.00 1.69 H new ATOM 0 HB3 MET A 59 -0.302 11.992 10.185 1.00 1.69 H new ATOM 0 HG2 MET A 59 1.948 12.883 10.326 1.00 2.33 H new ATOM 0 HG3 MET A 59 0.952 13.917 9.320 1.00 2.33 H new ATOM 0 HE1 MET A 59 2.548 15.005 13.534 1.00 2.95 H new ATOM 0 HE2 MET A 59 1.204 13.857 13.323 1.00 2.95 H new ATOM 0 HE3 MET A 59 2.819 13.462 12.690 1.00 2.95 H new ATOM 918 N GLY A 60 -3.424 13.045 9.641 1.00 1.82 N ATOM 919 CA GLY A 60 -4.842 12.642 9.587 1.00 2.15 C ATOM 920 C GLY A 60 -5.168 11.459 8.686 1.00 2.10 C ATOM 921 O GLY A 60 -6.142 11.538 7.939 1.00 3.66 O ATOM 0 H GLY A 60 -3.081 13.457 8.773 1.00 1.82 H new ATOM 0 HA2 GLY A 60 -5.170 12.403 10.599 1.00 2.15 H new ATOM 0 HA3 GLY A 60 -5.430 13.498 9.255 1.00 2.15 H new ATOM 925 N MET A 61 -4.356 10.403 8.761 1.00 1.01 N ATOM 926 CA MET A 61 -4.396 9.166 7.958 1.00 0.66 C ATOM 927 C MET A 61 -5.803 8.797 7.466 1.00 0.60 C ATOM 928 O MET A 61 -6.715 8.574 8.263 1.00 1.06 O ATOM 929 CB MET A 61 -3.846 7.977 8.766 1.00 1.01 C ATOM 930 CG MET A 61 -2.356 8.045 9.114 1.00 1.35 C ATOM 931 SD MET A 61 -1.869 9.259 10.365 1.00 2.52 S ATOM 932 CE MET A 61 -0.335 8.482 10.923 1.00 2.25 C ATOM 0 H MET A 61 -3.591 10.383 9.436 1.00 1.01 H new ATOM 0 HA MET A 61 -3.776 9.369 7.085 1.00 0.66 H new ATOM 0 HB2 MET A 61 -4.414 7.897 9.693 1.00 1.01 H new ATOM 0 HB3 MET A 61 -4.027 7.062 8.201 1.00 1.01 H new ATOM 0 HG2 MET A 61 -2.041 7.059 9.456 1.00 1.35 H new ATOM 0 HG3 MET A 61 -1.802 8.258 8.200 1.00 1.35 H new ATOM 0 HE1 MET A 61 0.232 9.190 11.527 1.00 2.25 H new ATOM 0 HE2 MET A 61 -0.570 7.601 11.520 1.00 2.25 H new ATOM 0 HE3 MET A 61 0.259 8.186 10.058 1.00 2.25 H new ATOM 942 N ARG A 62 -5.970 8.723 6.142 1.00 0.51 N ATOM 943 CA ARG A 62 -7.259 8.483 5.482 1.00 0.52 C ATOM 944 C ARG A 62 -7.063 7.634 4.218 1.00 0.52 C ATOM 945 O ARG A 62 -5.989 7.744 3.613 1.00 0.49 O ATOM 946 CB ARG A 62 -7.952 9.821 5.147 1.00 0.73 C ATOM 947 CG ARG A 62 -7.274 10.603 4.008 1.00 1.99 C ATOM 948 CD ARG A 62 -7.960 11.949 3.744 1.00 1.82 C ATOM 949 NE ARG A 62 -7.183 12.703 2.755 1.00 3.00 N ATOM 950 CZ ARG A 62 -7.549 13.647 1.907 1.00 3.77 C ATOM 951 NH1 ARG A 62 -8.767 14.142 1.886 1.00 3.73 N ATOM 952 NH2 ARG A 62 -6.649 14.085 1.061 1.00 5.21 N ATOM 0 H ARG A 62 -5.197 8.830 5.485 1.00 0.51 H new ATOM 0 HA ARG A 62 -7.904 7.931 6.166 1.00 0.52 H new ATOM 0 HB2 ARG A 62 -8.989 9.624 4.873 1.00 0.73 H new ATOM 0 HB3 ARG A 62 -7.971 10.444 6.042 1.00 0.73 H new ATOM 0 HG2 ARG A 62 -6.227 10.773 4.259 1.00 1.99 H new ATOM 0 HG3 ARG A 62 -7.290 10.004 3.098 1.00 1.99 H new ATOM 0 HD2 ARG A 62 -8.975 11.788 3.380 1.00 1.82 H new ATOM 0 HD3 ARG A 62 -8.040 12.517 4.671 1.00 1.82 H new ATOM 0 HE ARG A 62 -6.194 12.457 2.715 1.00 3.00 H new ATOM 0 HH11 ARG A 62 -9.469 13.797 2.541 1.00 3.73 H new ATOM 0 HH12 ARG A 62 -9.010 14.871 1.215 1.00 3.73 H new ATOM 0 HH21 ARG A 62 -5.706 13.697 1.074 1.00 5.21 H new ATOM 0 HH22 ARG A 62 -6.892 14.814 0.390 1.00 5.21 H new ATOM 966 N PRO A 63 -8.081 6.881 3.758 1.00 0.61 N ATOM 967 CA PRO A 63 -8.081 6.321 2.416 1.00 0.63 C ATOM 968 C PRO A 63 -8.159 7.427 1.367 1.00 0.61 C ATOM 969 O PRO A 63 -8.809 8.452 1.577 1.00 0.66 O ATOM 970 CB PRO A 63 -9.268 5.363 2.331 1.00 0.72 C ATOM 971 CG PRO A 63 -10.215 5.890 3.395 1.00 0.65 C ATOM 972 CD PRO A 63 -9.325 6.564 4.440 1.00 0.69 C ATOM 0 HA PRO A 63 -7.155 5.782 2.215 1.00 0.63 H new ATOM 0 HB2 PRO A 63 -9.726 5.376 1.342 1.00 0.72 H new ATOM 0 HB3 PRO A 63 -8.970 4.334 2.531 1.00 0.72 H new ATOM 0 HG2 PRO A 63 -10.926 6.598 2.970 1.00 0.65 H new ATOM 0 HG3 PRO A 63 -10.796 5.081 3.838 1.00 0.65 H new ATOM 0 HD2 PRO A 63 -9.796 7.465 4.832 1.00 0.69 H new ATOM 0 HD3 PRO A 63 -9.148 5.902 5.288 1.00 0.69 H new ATOM 980 N VAL A 64 -7.513 7.184 0.228 1.00 0.59 N ATOM 981 CA VAL A 64 -7.586 8.019 -0.981 1.00 0.60 C ATOM 982 C VAL A 64 -8.196 7.226 -2.147 1.00 0.69 C ATOM 983 O VAL A 64 -8.084 6.000 -2.160 1.00 0.69 O ATOM 984 CB VAL A 64 -6.202 8.568 -1.401 1.00 0.53 C ATOM 985 CG1 VAL A 64 -5.827 9.770 -0.525 1.00 0.58 C ATOM 986 CG2 VAL A 64 -5.083 7.517 -1.361 1.00 0.52 C ATOM 0 H VAL A 64 -6.903 6.375 0.112 1.00 0.59 H new ATOM 0 HA VAL A 64 -8.224 8.869 -0.738 1.00 0.60 H new ATOM 0 HB VAL A 64 -6.296 8.875 -2.443 1.00 0.53 H new ATOM 0 HG11 VAL A 64 -4.851 10.150 -0.827 1.00 0.58 H new ATOM 0 HG12 VAL A 64 -6.575 10.554 -0.644 1.00 0.58 H new ATOM 0 HG13 VAL A 64 -5.788 9.461 0.520 1.00 0.58 H new ATOM 0 HG21 VAL A 64 -4.143 7.975 -1.668 1.00 0.52 H new ATOM 0 HG22 VAL A 64 -4.984 7.129 -0.347 1.00 0.52 H new ATOM 0 HG23 VAL A 64 -5.327 6.700 -2.040 1.00 0.52 H new ATOM 996 N PRO A 65 -8.812 7.897 -3.143 1.00 0.80 N ATOM 997 CA PRO A 65 -9.349 7.238 -4.330 1.00 0.89 C ATOM 998 C PRO A 65 -8.254 6.687 -5.255 1.00 0.78 C ATOM 999 O PRO A 65 -8.574 5.868 -6.112 1.00 0.78 O ATOM 1000 CB PRO A 65 -10.197 8.303 -5.034 1.00 1.05 C ATOM 1001 CG PRO A 65 -9.510 9.609 -4.647 1.00 1.02 C ATOM 1002 CD PRO A 65 -9.059 9.334 -3.214 1.00 0.89 C ATOM 0 HA PRO A 65 -9.936 6.362 -4.053 1.00 0.89 H new ATOM 0 HB2 PRO A 65 -10.208 8.159 -6.114 1.00 1.05 H new ATOM 0 HB3 PRO A 65 -11.234 8.279 -4.698 1.00 1.05 H new ATOM 0 HG2 PRO A 65 -8.668 9.834 -5.301 1.00 1.02 H new ATOM 0 HG3 PRO A 65 -10.192 10.458 -4.702 1.00 1.02 H new ATOM 0 HD2 PRO A 65 -8.158 9.898 -2.973 1.00 0.89 H new ATOM 0 HD3 PRO A 65 -9.824 9.635 -2.499 1.00 0.89 H new ATOM 1010 N PHE A 66 -6.988 7.109 -5.089 1.00 0.70 N ATOM 1011 CA PHE A 66 -5.827 6.662 -5.857 1.00 0.63 C ATOM 1012 C PHE A 66 -4.530 7.278 -5.309 1.00 0.63 C ATOM 1013 O PHE A 66 -4.543 8.294 -4.616 1.00 0.69 O ATOM 1014 CB PHE A 66 -5.987 6.969 -7.362 1.00 0.64 C ATOM 1015 CG PHE A 66 -6.216 8.425 -7.718 1.00 0.75 C ATOM 1016 CD1 PHE A 66 -5.126 9.307 -7.834 1.00 1.41 C ATOM 1017 CD2 PHE A 66 -7.521 8.894 -7.964 1.00 2.03 C ATOM 1018 CE1 PHE A 66 -5.339 10.650 -8.187 1.00 1.43 C ATOM 1019 CE2 PHE A 66 -7.735 10.237 -8.321 1.00 2.14 C ATOM 1020 CZ PHE A 66 -6.641 11.116 -8.435 1.00 1.05 C ATOM 0 H PHE A 66 -6.742 7.802 -4.382 1.00 0.70 H new ATOM 0 HA PHE A 66 -5.763 5.580 -5.746 1.00 0.63 H new ATOM 0 HB2 PHE A 66 -5.093 6.624 -7.881 1.00 0.64 H new ATOM 0 HB3 PHE A 66 -6.823 6.385 -7.746 1.00 0.64 H new ATOM 0 HD1 PHE A 66 -4.123 8.951 -7.651 1.00 1.41 H new ATOM 0 HD2 PHE A 66 -8.360 8.220 -7.878 1.00 2.03 H new ATOM 0 HE1 PHE A 66 -4.500 11.326 -8.268 1.00 1.43 H new ATOM 0 HE2 PHE A 66 -8.737 10.594 -8.508 1.00 2.14 H new ATOM 0 HZ PHE A 66 -6.803 12.147 -8.713 1.00 1.05 H new ATOM 1030 N LEU A 67 -3.411 6.682 -5.716 1.00 0.59 N ATOM 1031 CA LEU A 67 -2.082 7.281 -5.787 1.00 0.57 C ATOM 1032 C LEU A 67 -1.643 7.384 -7.255 1.00 0.55 C ATOM 1033 O LEU A 67 -2.275 6.804 -8.138 1.00 0.53 O ATOM 1034 CB LEU A 67 -1.089 6.397 -5.002 1.00 0.55 C ATOM 1035 CG LEU A 67 -0.621 6.985 -3.661 1.00 0.61 C ATOM 1036 CD1 LEU A 67 0.427 6.018 -3.096 1.00 0.99 C ATOM 1037 CD2 LEU A 67 0.031 8.372 -3.804 1.00 0.82 C ATOM 0 H LEU A 67 -3.409 5.709 -6.023 1.00 0.59 H new ATOM 0 HA LEU A 67 -2.102 8.280 -5.352 1.00 0.57 H new ATOM 0 HB2 LEU A 67 -1.555 5.430 -4.815 1.00 0.55 H new ATOM 0 HB3 LEU A 67 -0.215 6.214 -5.627 1.00 0.55 H new ATOM 0 HG LEU A 67 -1.490 7.106 -3.014 1.00 0.61 H new ATOM 0 HD11 LEU A 67 0.791 6.394 -2.140 1.00 0.99 H new ATOM 0 HD12 LEU A 67 -0.024 5.036 -2.952 1.00 0.99 H new ATOM 0 HD13 LEU A 67 1.260 5.936 -3.794 1.00 0.99 H new ATOM 0 HD21 LEU A 67 0.339 8.732 -2.822 1.00 0.82 H new ATOM 0 HD22 LEU A 67 0.903 8.299 -4.454 1.00 0.82 H new ATOM 0 HD23 LEU A 67 -0.687 9.069 -4.237 1.00 0.82 H new ATOM 1049 N GLU A 68 -0.509 8.026 -7.520 1.00 0.59 N ATOM 1050 CA GLU A 68 0.134 7.989 -8.834 1.00 0.60 C ATOM 1051 C GLU A 68 1.630 8.272 -8.749 1.00 0.67 C ATOM 1052 O GLU A 68 2.118 8.760 -7.733 1.00 0.75 O ATOM 1053 CB GLU A 68 -0.583 8.913 -9.831 1.00 0.68 C ATOM 1054 CG GLU A 68 -0.413 10.409 -9.583 1.00 0.97 C ATOM 1055 CD GLU A 68 -1.512 11.111 -10.369 1.00 1.29 C ATOM 1056 OE1 GLU A 68 -2.681 11.014 -9.942 1.00 2.36 O ATOM 1057 OE2 GLU A 68 -1.279 11.606 -11.489 1.00 1.64 O ATOM 0 H GLU A 68 -0.008 8.587 -6.831 1.00 0.59 H new ATOM 0 HA GLU A 68 0.040 6.972 -9.216 1.00 0.60 H new ATOM 0 HB2 GLU A 68 -0.222 8.686 -10.834 1.00 0.68 H new ATOM 0 HB3 GLU A 68 -1.647 8.679 -9.815 1.00 0.68 H new ATOM 0 HG2 GLU A 68 -0.492 10.636 -8.520 1.00 0.97 H new ATOM 0 HG3 GLU A 68 0.571 10.746 -9.909 1.00 0.97 H new ATOM 1064 N VAL A 69 2.344 7.936 -9.824 1.00 0.70 N ATOM 1065 CA VAL A 69 3.803 8.039 -9.916 1.00 0.77 C ATOM 1066 C VAL A 69 4.214 8.432 -11.345 1.00 0.75 C ATOM 1067 O VAL A 69 3.716 7.820 -12.297 1.00 0.73 O ATOM 1068 CB VAL A 69 4.499 6.706 -9.520 1.00 0.92 C ATOM 1069 CG1 VAL A 69 6.010 6.904 -9.331 1.00 1.07 C ATOM 1070 CG2 VAL A 69 3.914 6.059 -8.252 1.00 1.03 C ATOM 0 H VAL A 69 1.914 7.576 -10.676 1.00 0.70 H new ATOM 0 HA VAL A 69 4.125 8.809 -9.215 1.00 0.77 H new ATOM 0 HB VAL A 69 4.311 6.027 -10.351 1.00 0.92 H new ATOM 0 HG11 VAL A 69 6.470 5.955 -9.055 1.00 1.07 H new ATOM 0 HG12 VAL A 69 6.449 7.262 -10.262 1.00 1.07 H new ATOM 0 HG13 VAL A 69 6.185 7.635 -8.542 1.00 1.07 H new ATOM 0 HG21 VAL A 69 4.448 5.134 -8.036 1.00 1.03 H new ATOM 0 HG22 VAL A 69 4.021 6.744 -7.411 1.00 1.03 H new ATOM 0 HG23 VAL A 69 2.858 5.840 -8.409 1.00 1.03 H new ATOM 1080 N PRO A 70 5.110 9.424 -11.526 1.00 0.83 N ATOM 1081 CA PRO A 70 5.603 9.834 -12.839 1.00 0.86 C ATOM 1082 C PRO A 70 6.502 8.753 -13.471 1.00 0.85 C ATOM 1083 O PRO A 70 6.983 7.868 -12.762 1.00 0.90 O ATOM 1084 CB PRO A 70 6.365 11.143 -12.597 1.00 1.00 C ATOM 1085 CG PRO A 70 6.862 11.003 -11.161 1.00 1.07 C ATOM 1086 CD PRO A 70 5.718 10.250 -10.487 1.00 0.98 C ATOM 0 HA PRO A 70 4.788 9.975 -13.549 1.00 0.86 H new ATOM 0 HB2 PRO A 70 7.191 11.263 -13.298 1.00 1.00 H new ATOM 0 HB3 PRO A 70 5.718 12.012 -12.715 1.00 1.00 H new ATOM 0 HG2 PRO A 70 7.799 10.449 -11.108 1.00 1.07 H new ATOM 0 HG3 PRO A 70 7.039 11.973 -10.696 1.00 1.07 H new ATOM 0 HD2 PRO A 70 6.086 9.635 -9.666 1.00 0.98 H new ATOM 0 HD3 PRO A 70 4.991 10.943 -10.065 1.00 0.98 H new ATOM 1094 N PRO A 71 6.750 8.818 -14.793 1.00 0.85 N ATOM 1095 CA PRO A 71 7.619 7.873 -15.485 1.00 0.84 C ATOM 1096 C PRO A 71 9.057 7.968 -14.977 1.00 0.88 C ATOM 1097 O PRO A 71 9.552 9.056 -14.691 1.00 0.94 O ATOM 1098 CB PRO A 71 7.495 8.203 -16.971 1.00 0.86 C ATOM 1099 CG PRO A 71 7.003 9.646 -17.019 1.00 0.90 C ATOM 1100 CD PRO A 71 6.225 9.811 -15.720 1.00 0.88 C ATOM 0 HA PRO A 71 7.325 6.840 -15.300 1.00 0.84 H new ATOM 0 HB2 PRO A 71 8.453 8.096 -17.480 1.00 0.86 H new ATOM 0 HB3 PRO A 71 6.794 7.531 -17.467 1.00 0.86 H new ATOM 0 HG2 PRO A 71 7.833 10.349 -17.079 1.00 0.90 H new ATOM 0 HG3 PRO A 71 6.371 9.824 -17.889 1.00 0.90 H new ATOM 0 HD2 PRO A 71 6.347 10.818 -15.320 1.00 0.88 H new ATOM 0 HD3 PRO A 71 5.158 9.661 -15.885 1.00 0.88 H new ATOM 1108 N LYS A 72 9.715 6.806 -14.846 1.00 0.90 N ATOM 1109 CA LYS A 72 11.091 6.623 -14.333 1.00 0.99 C ATOM 1110 C LYS A 72 11.234 6.902 -12.820 1.00 1.06 C ATOM 1111 O LYS A 72 12.314 6.759 -12.250 1.00 1.15 O ATOM 1112 CB LYS A 72 12.106 7.440 -15.158 1.00 1.06 C ATOM 1113 CG LYS A 72 11.851 7.463 -16.673 1.00 1.37 C ATOM 1114 CD LYS A 72 11.890 6.084 -17.358 1.00 1.18 C ATOM 1115 CE LYS A 72 11.148 6.101 -18.701 1.00 1.54 C ATOM 1116 NZ LYS A 72 11.704 7.072 -19.675 1.00 2.91 N ATOM 0 H LYS A 72 9.283 5.919 -15.107 1.00 0.90 H new ATOM 0 HA LYS A 72 11.318 5.564 -14.457 1.00 0.99 H new ATOM 0 HB2 LYS A 72 12.107 8.466 -14.790 1.00 1.06 H new ATOM 0 HB3 LYS A 72 13.103 7.037 -14.980 1.00 1.06 H new ATOM 0 HG2 LYS A 72 10.877 7.916 -16.856 1.00 1.37 H new ATOM 0 HG3 LYS A 72 12.595 8.107 -17.142 1.00 1.37 H new ATOM 0 HD2 LYS A 72 12.926 5.785 -17.518 1.00 1.18 H new ATOM 0 HD3 LYS A 72 11.440 5.338 -16.702 1.00 1.18 H new ATOM 0 HE2 LYS A 72 11.181 5.103 -19.137 1.00 1.54 H new ATOM 0 HE3 LYS A 72 10.099 6.337 -18.524 1.00 1.54 H new ATOM 0 HZ1 LYS A 72 11.247 6.937 -20.599 1.00 2.91 H new ATOM 0 HZ2 LYS A 72 11.527 8.040 -19.339 1.00 2.91 H new ATOM 0 HZ3 LYS A 72 12.728 6.920 -19.770 1.00 2.91 H new ATOM 1130 N GLY A 73 10.143 7.295 -12.163 1.00 1.06 N ATOM 1131 CA GLY A 73 10.044 7.634 -10.757 1.00 1.13 C ATOM 1132 C GLY A 73 9.741 6.402 -9.920 1.00 1.06 C ATOM 1133 O GLY A 73 8.849 5.614 -10.220 1.00 1.11 O ATOM 0 H GLY A 73 9.246 7.389 -12.639 1.00 1.06 H new ATOM 0 HA2 GLY A 73 10.978 8.085 -10.421 1.00 1.13 H new ATOM 0 HA3 GLY A 73 9.260 8.378 -10.613 1.00 1.13 H new ATOM 1137 N ARG A 74 10.473 6.310 -8.823 1.00 1.23 N ATOM 1138 CA ARG A 74 10.160 5.474 -7.658 1.00 1.26 C ATOM 1139 C ARG A 74 9.616 6.322 -6.514 1.00 1.34 C ATOM 1140 O ARG A 74 10.173 7.373 -6.212 1.00 1.46 O ATOM 1141 CB ARG A 74 11.404 4.683 -7.199 1.00 1.43 C ATOM 1142 CG ARG A 74 11.132 3.760 -5.990 1.00 1.69 C ATOM 1143 CD ARG A 74 12.384 3.086 -5.417 1.00 1.68 C ATOM 1144 NE ARG A 74 13.087 2.252 -6.399 1.00 2.06 N ATOM 1145 CZ ARG A 74 14.391 2.145 -6.592 1.00 3.03 C ATOM 1146 NH1 ARG A 74 15.281 2.846 -5.916 1.00 3.86 N ATOM 1147 NH2 ARG A 74 14.782 1.288 -7.501 1.00 4.26 N ATOM 0 H ARG A 74 11.340 6.835 -8.707 1.00 1.23 H new ATOM 0 HA ARG A 74 9.390 4.761 -7.953 1.00 1.26 H new ATOM 0 HB2 ARG A 74 11.770 4.081 -8.031 1.00 1.43 H new ATOM 0 HB3 ARG A 74 12.197 5.385 -6.940 1.00 1.43 H new ATOM 0 HG2 ARG A 74 10.655 4.343 -5.202 1.00 1.69 H new ATOM 0 HG3 ARG A 74 10.423 2.988 -6.289 1.00 1.69 H new ATOM 0 HD2 ARG A 74 13.065 3.852 -5.046 1.00 1.68 H new ATOM 0 HD3 ARG A 74 12.100 2.471 -4.563 1.00 1.68 H new ATOM 0 HE ARG A 74 12.497 1.685 -7.008 1.00 2.06 H new ATOM 0 HH11 ARG A 74 14.974 3.509 -5.205 1.00 3.86 H new ATOM 0 HH12 ARG A 74 16.276 2.725 -6.105 1.00 3.86 H new ATOM 0 HH21 ARG A 74 14.092 0.744 -8.019 1.00 4.26 H new ATOM 0 HH22 ARG A 74 15.776 1.165 -7.691 1.00 4.26 H new ATOM 1161 N VAL A 75 8.586 5.795 -5.854 1.00 1.32 N ATOM 1162 CA VAL A 75 8.064 6.239 -4.558 1.00 1.31 C ATOM 1163 C VAL A 75 7.464 5.023 -3.853 1.00 1.18 C ATOM 1164 O VAL A 75 6.507 4.402 -4.306 1.00 1.94 O ATOM 1165 CB VAL A 75 7.024 7.381 -4.647 1.00 1.80 C ATOM 1166 CG1 VAL A 75 7.648 8.730 -5.038 1.00 2.20 C ATOM 1167 CG2 VAL A 75 5.881 7.060 -5.617 1.00 2.18 C ATOM 0 H VAL A 75 8.063 5.003 -6.228 1.00 1.32 H new ATOM 0 HA VAL A 75 8.896 6.662 -3.994 1.00 1.31 H new ATOM 0 HB VAL A 75 6.620 7.466 -3.638 1.00 1.80 H new ATOM 0 HG11 VAL A 75 6.869 9.491 -5.084 1.00 2.20 H new ATOM 0 HG12 VAL A 75 8.392 9.016 -4.294 1.00 2.20 H new ATOM 0 HG13 VAL A 75 8.126 8.641 -6.013 1.00 2.20 H new ATOM 0 HG21 VAL A 75 5.180 7.894 -5.642 1.00 2.18 H new ATOM 0 HG22 VAL A 75 6.286 6.897 -6.616 1.00 2.18 H new ATOM 0 HG23 VAL A 75 5.363 6.160 -5.284 1.00 2.18 H new ATOM 1177 N GLU A 76 8.084 4.635 -2.751 1.00 0.92 N ATOM 1178 CA GLU A 76 7.687 3.482 -1.950 1.00 0.93 C ATOM 1179 C GLU A 76 6.530 3.856 -1.013 1.00 0.87 C ATOM 1180 O GLU A 76 6.536 4.946 -0.432 1.00 0.95 O ATOM 1181 CB GLU A 76 8.887 2.924 -1.156 1.00 1.30 C ATOM 1182 CG GLU A 76 10.172 2.696 -1.980 1.00 2.11 C ATOM 1183 CD GLU A 76 11.082 3.925 -2.138 1.00 2.72 C ATOM 1184 OE1 GLU A 76 10.629 5.064 -1.864 1.00 3.32 O ATOM 1185 OE2 GLU A 76 12.242 3.732 -2.546 1.00 3.43 O ATOM 0 H GLU A 76 8.898 5.123 -2.377 1.00 0.92 H new ATOM 0 HA GLU A 76 7.341 2.697 -2.622 1.00 0.93 H new ATOM 0 HB2 GLU A 76 9.114 3.612 -0.341 1.00 1.30 H new ATOM 0 HB3 GLU A 76 8.593 1.978 -0.702 1.00 1.30 H new ATOM 0 HG2 GLU A 76 10.747 1.898 -1.511 1.00 2.11 H new ATOM 0 HG3 GLU A 76 9.889 2.345 -2.972 1.00 2.11 H new ATOM 1192 N LEU A 77 5.574 2.939 -0.816 1.00 0.79 N ATOM 1193 CA LEU A 77 4.516 3.056 0.190 1.00 0.75 C ATOM 1194 C LEU A 77 5.133 2.873 1.586 1.00 0.82 C ATOM 1195 O LEU A 77 5.093 1.801 2.187 1.00 1.02 O ATOM 1196 CB LEU A 77 3.359 2.065 -0.078 1.00 0.70 C ATOM 1197 CG LEU A 77 2.362 2.478 -1.182 1.00 0.68 C ATOM 1198 CD1 LEU A 77 2.939 2.377 -2.604 1.00 0.68 C ATOM 1199 CD2 LEU A 77 1.120 1.583 -1.078 1.00 0.78 C ATOM 0 H LEU A 77 5.515 2.080 -1.363 1.00 0.79 H new ATOM 0 HA LEU A 77 4.071 4.050 0.133 1.00 0.75 H new ATOM 0 HB2 LEU A 77 3.788 1.099 -0.345 1.00 0.70 H new ATOM 0 HB3 LEU A 77 2.806 1.923 0.850 1.00 0.70 H new ATOM 0 HG LEU A 77 2.120 3.528 -1.020 1.00 0.68 H new ATOM 0 HD11 LEU A 77 2.182 2.683 -3.326 1.00 0.68 H new ATOM 0 HD12 LEU A 77 3.808 3.029 -2.691 1.00 0.68 H new ATOM 0 HD13 LEU A 77 3.236 1.348 -2.804 1.00 0.68 H new ATOM 0 HD21 LEU A 77 0.405 1.862 -1.852 1.00 0.78 H new ATOM 0 HD22 LEU A 77 1.410 0.541 -1.211 1.00 0.78 H new ATOM 0 HD23 LEU A 77 0.661 1.710 -0.097 1.00 0.78 H new ATOM 1211 N LYS A 78 5.765 3.938 2.076 1.00 1.04 N ATOM 1212 CA LYS A 78 6.405 4.013 3.384 1.00 1.11 C ATOM 1213 C LYS A 78 5.381 4.460 4.447 1.00 1.08 C ATOM 1214 O LYS A 78 4.599 5.361 4.153 1.00 1.17 O ATOM 1215 CB LYS A 78 7.647 4.922 3.260 1.00 1.27 C ATOM 1216 CG LYS A 78 7.385 6.365 2.760 1.00 1.29 C ATOM 1217 CD LYS A 78 8.633 6.995 2.112 1.00 1.70 C ATOM 1218 CE LYS A 78 8.907 6.375 0.730 1.00 2.66 C ATOM 1219 NZ LYS A 78 10.177 6.830 0.114 1.00 3.57 N ATOM 0 H LYS A 78 5.847 4.807 1.549 1.00 1.04 H new ATOM 0 HA LYS A 78 6.757 3.039 3.723 1.00 1.11 H new ATOM 0 HB2 LYS A 78 8.130 4.979 4.235 1.00 1.27 H new ATOM 0 HB3 LYS A 78 8.355 4.446 2.581 1.00 1.27 H new ATOM 0 HG2 LYS A 78 6.569 6.354 2.037 1.00 1.29 H new ATOM 0 HG3 LYS A 78 7.061 6.984 3.597 1.00 1.29 H new ATOM 0 HD2 LYS A 78 8.491 8.071 2.011 1.00 1.70 H new ATOM 0 HD3 LYS A 78 9.498 6.847 2.759 1.00 1.70 H new ATOM 0 HE2 LYS A 78 8.929 5.289 0.826 1.00 2.66 H new ATOM 0 HE3 LYS A 78 8.081 6.619 0.062 1.00 2.66 H new ATOM 0 HZ1 LYS A 78 10.382 6.253 -0.727 1.00 3.57 H new ATOM 0 HZ2 LYS A 78 10.090 7.828 -0.164 1.00 3.57 H new ATOM 0 HZ3 LYS A 78 10.952 6.729 0.800 1.00 3.57 H new ATOM 1233 N PRO A 79 5.372 3.874 5.666 1.00 1.01 N ATOM 1234 CA PRO A 79 4.266 4.002 6.623 1.00 0.94 C ATOM 1235 C PRO A 79 3.978 5.443 7.060 1.00 0.89 C ATOM 1236 O PRO A 79 2.812 5.823 7.114 1.00 0.92 O ATOM 1237 CB PRO A 79 4.625 3.095 7.807 1.00 0.94 C ATOM 1238 CG PRO A 79 6.133 2.881 7.680 1.00 0.97 C ATOM 1239 CD PRO A 79 6.357 2.929 6.171 1.00 1.02 C ATOM 0 HA PRO A 79 3.333 3.697 6.150 1.00 0.94 H new ATOM 0 HB2 PRO A 79 4.369 3.563 8.758 1.00 0.94 H new ATOM 0 HB3 PRO A 79 4.084 2.150 7.761 1.00 0.94 H new ATOM 0 HG2 PRO A 79 6.696 3.658 8.197 1.00 0.97 H new ATOM 0 HG3 PRO A 79 6.443 1.926 8.104 1.00 0.97 H new ATOM 0 HD2 PRO A 79 7.370 3.253 5.934 1.00 1.02 H new ATOM 0 HD3 PRO A 79 6.224 1.945 5.722 1.00 1.02 H new ATOM 1247 N GLY A 80 5.014 6.261 7.295 1.00 0.97 N ATOM 1248 CA GLY A 80 4.885 7.720 7.347 1.00 1.00 C ATOM 1249 C GLY A 80 4.901 8.271 5.925 1.00 0.94 C ATOM 1250 O GLY A 80 5.949 8.705 5.451 1.00 1.17 O ATOM 0 H GLY A 80 5.965 5.927 7.454 1.00 0.97 H new ATOM 0 HA2 GLY A 80 3.958 7.998 7.848 1.00 1.00 H new ATOM 0 HA3 GLY A 80 5.702 8.150 7.926 1.00 1.00 H new ATOM 1254 N GLY A 81 3.762 8.160 5.236 1.00 0.81 N ATOM 1255 CA GLY A 81 3.639 8.386 3.794 1.00 0.75 C ATOM 1256 C GLY A 81 2.352 7.806 3.217 1.00 0.66 C ATOM 1257 O GLY A 81 1.344 8.497 3.126 1.00 0.74 O ATOM 0 H GLY A 81 2.878 7.904 5.677 1.00 0.81 H new ATOM 0 HA2 GLY A 81 3.672 9.457 3.594 1.00 0.75 H new ATOM 0 HA3 GLY A 81 4.494 7.940 3.286 1.00 0.75 H new ATOM 1261 N TYR A 82 2.399 6.540 2.807 1.00 0.62 N ATOM 1262 CA TYR A 82 1.361 5.820 2.057 1.00 0.60 C ATOM 1263 C TYR A 82 1.433 4.329 2.389 1.00 0.65 C ATOM 1264 O TYR A 82 2.517 3.790 2.609 1.00 0.72 O ATOM 1265 CB TYR A 82 1.537 6.058 0.552 1.00 0.61 C ATOM 1266 CG TYR A 82 1.503 7.524 0.167 1.00 0.56 C ATOM 1267 CD1 TYR A 82 0.270 8.193 0.039 1.00 1.59 C ATOM 1268 CD2 TYR A 82 2.710 8.240 0.027 1.00 1.80 C ATOM 1269 CE1 TYR A 82 0.238 9.581 -0.195 1.00 1.70 C ATOM 1270 CE2 TYR A 82 2.683 9.627 -0.199 1.00 1.73 C ATOM 1271 CZ TYR A 82 1.447 10.304 -0.299 1.00 0.62 C ATOM 1272 OH TYR A 82 1.417 11.653 -0.467 1.00 0.74 O ATOM 0 H TYR A 82 3.209 5.951 2.999 1.00 0.62 H new ATOM 0 HA TYR A 82 0.378 6.193 2.344 1.00 0.60 H new ATOM 0 HB2 TYR A 82 2.486 5.628 0.232 1.00 0.61 H new ATOM 0 HB3 TYR A 82 0.750 5.530 0.014 1.00 0.61 H new ATOM 0 HD1 TYR A 82 -0.654 7.639 0.121 1.00 1.59 H new ATOM 0 HD2 TYR A 82 3.655 7.722 0.093 1.00 1.80 H new ATOM 0 HE1 TYR A 82 -0.708 10.092 -0.295 1.00 1.70 H new ATOM 0 HE2 TYR A 82 3.608 10.176 -0.296 1.00 1.73 H new ATOM 0 HH TYR A 82 2.333 11.997 -0.519 1.00 0.74 H new ATOM 1282 N HIS A 83 0.291 3.654 2.450 1.00 0.65 N ATOM 1283 CA HIS A 83 0.199 2.255 2.873 1.00 0.69 C ATOM 1284 C HIS A 83 -1.157 1.659 2.481 1.00 0.69 C ATOM 1285 O HIS A 83 -2.052 2.386 2.050 1.00 0.70 O ATOM 1286 CB HIS A 83 0.479 2.138 4.388 1.00 0.72 C ATOM 1287 CG HIS A 83 -0.496 2.881 5.271 1.00 0.66 C ATOM 1288 ND1 HIS A 83 -0.407 4.196 5.682 1.00 0.71 N ATOM 1289 CD2 HIS A 83 -1.624 2.361 5.845 1.00 0.68 C ATOM 1290 CE1 HIS A 83 -1.462 4.459 6.467 1.00 0.73 C ATOM 1291 NE2 HIS A 83 -2.225 3.365 6.610 1.00 0.71 N ATOM 0 H HIS A 83 -0.610 4.065 2.205 1.00 0.65 H new ATOM 0 HA HIS A 83 0.961 1.672 2.355 1.00 0.69 H new ATOM 0 HB2 HIS A 83 0.468 1.084 4.665 1.00 0.72 H new ATOM 0 HB3 HIS A 83 1.484 2.510 4.587 1.00 0.72 H new ATOM 0 HD2 HIS A 83 -1.987 1.351 5.728 1.00 0.68 H new ATOM 0 HE1 HIS A 83 -1.668 5.417 6.920 1.00 0.73 H new ATOM 0 HE2 HIS A 83 -3.076 3.282 7.167 1.00 0.71 H new ATOM 1299 N PHE A 84 -1.326 0.346 2.651 1.00 0.78 N ATOM 1300 CA PHE A 84 -2.620 -0.313 2.503 1.00 0.79 C ATOM 1301 C PHE A 84 -3.138 -0.795 3.861 1.00 0.83 C ATOM 1302 O PHE A 84 -2.431 -1.498 4.592 1.00 0.94 O ATOM 1303 CB PHE A 84 -2.505 -1.492 1.537 1.00 0.79 C ATOM 1304 CG PHE A 84 -2.334 -1.139 0.067 1.00 0.74 C ATOM 1305 CD1 PHE A 84 -3.448 -0.770 -0.714 1.00 1.72 C ATOM 1306 CD2 PHE A 84 -1.074 -1.266 -0.548 1.00 2.18 C ATOM 1307 CE1 PHE A 84 -3.331 -0.668 -2.112 1.00 1.77 C ATOM 1308 CE2 PHE A 84 -0.946 -1.090 -1.937 1.00 2.14 C ATOM 1309 CZ PHE A 84 -2.079 -0.833 -2.726 1.00 0.75 C ATOM 0 H PHE A 84 -0.566 -0.289 2.896 1.00 0.78 H new ATOM 0 HA PHE A 84 -3.329 0.409 2.098 1.00 0.79 H new ATOM 0 HB2 PHE A 84 -1.657 -2.105 1.843 1.00 0.79 H new ATOM 0 HB3 PHE A 84 -3.398 -2.108 1.640 1.00 0.79 H new ATOM 0 HD1 PHE A 84 -4.395 -0.565 -0.237 1.00 1.72 H new ATOM 0 HD2 PHE A 84 -0.204 -1.499 0.048 1.00 2.18 H new ATOM 0 HE1 PHE A 84 -4.204 -0.463 -2.713 1.00 1.77 H new ATOM 0 HE2 PHE A 84 0.028 -1.153 -2.399 1.00 2.14 H new ATOM 0 HZ PHE A 84 -1.988 -0.763 -3.800 1.00 0.75 H new ATOM 1319 N MET A 85 -4.401 -0.472 4.144 1.00 0.75 N ATOM 1320 CA MET A 85 -5.220 -1.095 5.186 1.00 0.72 C ATOM 1321 C MET A 85 -5.953 -2.317 4.630 1.00 0.64 C ATOM 1322 O MET A 85 -6.489 -2.287 3.521 1.00 0.74 O ATOM 1323 CB MET A 85 -6.228 -0.079 5.751 1.00 0.79 C ATOM 1324 CG MET A 85 -5.675 0.690 6.954 1.00 0.92 C ATOM 1325 SD MET A 85 -5.481 -0.314 8.457 1.00 1.27 S ATOM 1326 CE MET A 85 -3.682 -0.454 8.497 1.00 1.02 C ATOM 0 H MET A 85 -4.900 0.258 3.635 1.00 0.75 H new ATOM 0 HA MET A 85 -4.564 -1.422 5.993 1.00 0.72 H new ATOM 0 HB2 MET A 85 -6.504 0.627 4.968 1.00 0.79 H new ATOM 0 HB3 MET A 85 -7.139 -0.601 6.045 1.00 0.79 H new ATOM 0 HG2 MET A 85 -4.707 1.113 6.686 1.00 0.92 H new ATOM 0 HG3 MET A 85 -6.339 1.526 7.173 1.00 0.92 H new ATOM 0 HE1 MET A 85 -3.356 -0.665 9.515 1.00 1.02 H new ATOM 0 HE2 MET A 85 -3.365 -1.264 7.840 1.00 1.02 H new ATOM 0 HE3 MET A 85 -3.237 0.482 8.160 1.00 1.02 H new ATOM 1336 N LEU A 86 -5.963 -3.390 5.421 1.00 0.60 N ATOM 1337 CA LEU A 86 -6.543 -4.695 5.098 1.00 0.57 C ATOM 1338 C LEU A 86 -7.756 -4.935 6.004 1.00 0.50 C ATOM 1339 O LEU A 86 -7.581 -5.112 7.210 1.00 0.74 O ATOM 1340 CB LEU A 86 -5.469 -5.795 5.309 1.00 0.74 C ATOM 1341 CG LEU A 86 -4.137 -5.586 4.546 1.00 1.03 C ATOM 1342 CD1 LEU A 86 -3.125 -6.675 4.928 1.00 2.19 C ATOM 1343 CD2 LEU A 86 -4.311 -5.567 3.022 1.00 1.17 C ATOM 0 H LEU A 86 -5.546 -3.372 6.352 1.00 0.60 H new ATOM 0 HA LEU A 86 -6.869 -4.723 4.058 1.00 0.57 H new ATOM 0 HB2 LEU A 86 -5.250 -5.864 6.374 1.00 0.74 H new ATOM 0 HB3 LEU A 86 -5.892 -6.753 5.008 1.00 0.74 H new ATOM 0 HG LEU A 86 -3.767 -4.605 4.843 1.00 1.03 H new ATOM 0 HD11 LEU A 86 -2.195 -6.514 4.384 1.00 2.19 H new ATOM 0 HD12 LEU A 86 -2.931 -6.631 6.000 1.00 2.19 H new ATOM 0 HD13 LEU A 86 -3.530 -7.654 4.672 1.00 2.19 H new ATOM 0 HD21 LEU A 86 -3.341 -5.417 2.547 1.00 1.17 H new ATOM 0 HD22 LEU A 86 -4.734 -6.516 2.692 1.00 1.17 H new ATOM 0 HD23 LEU A 86 -4.981 -4.754 2.742 1.00 1.17 H new ATOM 1355 N LEU A 87 -8.976 -4.939 5.449 1.00 0.48 N ATOM 1356 CA LEU A 87 -10.206 -5.266 6.182 1.00 0.60 C ATOM 1357 C LEU A 87 -10.852 -6.516 5.573 1.00 0.76 C ATOM 1358 O LEU A 87 -10.983 -6.639 4.351 1.00 1.01 O ATOM 1359 CB LEU A 87 -11.211 -4.089 6.167 1.00 0.65 C ATOM 1360 CG LEU A 87 -10.852 -2.784 6.914 1.00 0.85 C ATOM 1361 CD1 LEU A 87 -10.535 -3.048 8.392 1.00 1.82 C ATOM 1362 CD2 LEU A 87 -9.718 -1.977 6.265 1.00 2.65 C ATOM 0 H LEU A 87 -9.138 -4.713 4.468 1.00 0.48 H new ATOM 0 HA LEU A 87 -9.939 -5.458 7.221 1.00 0.60 H new ATOM 0 HB2 LEU A 87 -11.398 -3.830 5.125 1.00 0.65 H new ATOM 0 HB3 LEU A 87 -12.152 -4.455 6.578 1.00 0.65 H new ATOM 0 HG LEU A 87 -11.748 -2.167 6.842 1.00 0.85 H new ATOM 0 HD11 LEU A 87 -10.287 -2.108 8.885 1.00 1.82 H new ATOM 0 HD12 LEU A 87 -11.404 -3.494 8.877 1.00 1.82 H new ATOM 0 HD13 LEU A 87 -9.688 -3.731 8.466 1.00 1.82 H new ATOM 0 HD21 LEU A 87 -9.530 -1.078 6.851 1.00 2.65 H new ATOM 0 HD22 LEU A 87 -8.813 -2.584 6.230 1.00 2.65 H new ATOM 0 HD23 LEU A 87 -10.005 -1.696 5.252 1.00 2.65 H new ATOM 1374 N GLY A 88 -11.258 -7.465 6.425 1.00 0.89 N ATOM 1375 CA GLY A 88 -11.896 -8.717 5.967 1.00 1.18 C ATOM 1376 C GLY A 88 -10.866 -9.708 5.423 1.00 1.29 C ATOM 1377 O GLY A 88 -11.043 -10.284 4.355 1.00 1.79 O ATOM 0 H GLY A 88 -11.158 -7.395 7.438 1.00 0.89 H new ATOM 0 HA2 GLY A 88 -12.439 -9.173 6.795 1.00 1.18 H new ATOM 0 HA3 GLY A 88 -12.628 -8.490 5.192 1.00 1.18 H new ATOM 1381 N LEU A 89 -9.740 -9.823 6.127 1.00 1.18 N ATOM 1382 CA LEU A 89 -8.549 -10.562 5.715 1.00 1.25 C ATOM 1383 C LEU A 89 -8.685 -12.071 5.911 1.00 1.00 C ATOM 1384 O LEU A 89 -8.902 -12.572 7.012 1.00 1.11 O ATOM 1385 CB LEU A 89 -7.318 -9.943 6.389 1.00 1.75 C ATOM 1386 CG LEU A 89 -7.391 -9.774 7.923 1.00 0.90 C ATOM 1387 CD1 LEU A 89 -6.437 -10.713 8.646 1.00 1.65 C ATOM 1388 CD2 LEU A 89 -6.997 -8.344 8.284 1.00 1.73 C ATOM 0 H LEU A 89 -9.629 -9.383 7.041 1.00 1.18 H new ATOM 0 HA LEU A 89 -8.420 -10.463 4.637 1.00 1.25 H new ATOM 0 HB2 LEU A 89 -6.452 -10.561 6.154 1.00 1.75 H new ATOM 0 HB3 LEU A 89 -7.141 -8.964 5.945 1.00 1.75 H new ATOM 0 HG LEU A 89 -8.411 -10.004 8.231 1.00 0.90 H new ATOM 0 HD11 LEU A 89 -6.522 -10.560 9.722 1.00 1.65 H new ATOM 0 HD12 LEU A 89 -6.690 -11.745 8.405 1.00 1.65 H new ATOM 0 HD13 LEU A 89 -5.414 -10.507 8.330 1.00 1.65 H new ATOM 0 HD21 LEU A 89 -7.046 -8.215 9.365 1.00 1.73 H new ATOM 0 HD22 LEU A 89 -5.981 -8.149 7.941 1.00 1.73 H new ATOM 0 HD23 LEU A 89 -7.683 -7.646 7.804 1.00 1.73 H new ATOM 1400 N LYS A 90 -8.558 -12.801 4.802 1.00 0.97 N ATOM 1401 CA LYS A 90 -9.026 -14.189 4.690 1.00 0.87 C ATOM 1402 C LYS A 90 -7.981 -15.215 5.173 1.00 0.95 C ATOM 1403 O LYS A 90 -8.271 -16.409 5.262 1.00 0.96 O ATOM 1404 CB LYS A 90 -9.540 -14.440 3.255 1.00 1.01 C ATOM 1405 CG LYS A 90 -10.433 -13.283 2.745 1.00 0.91 C ATOM 1406 CD LYS A 90 -11.030 -13.516 1.353 1.00 1.33 C ATOM 1407 CE LYS A 90 -11.418 -12.151 0.770 1.00 1.42 C ATOM 1408 NZ LYS A 90 -12.402 -12.249 -0.330 1.00 1.66 N ATOM 0 H LYS A 90 -8.125 -12.446 3.949 1.00 0.97 H new ATOM 0 HA LYS A 90 -9.864 -14.337 5.371 1.00 0.87 H new ATOM 0 HB2 LYS A 90 -8.691 -14.565 2.583 1.00 1.01 H new ATOM 0 HB3 LYS A 90 -10.106 -15.371 3.231 1.00 1.01 H new ATOM 0 HG2 LYS A 90 -11.245 -13.126 3.455 1.00 0.91 H new ATOM 0 HG3 LYS A 90 -9.844 -12.366 2.727 1.00 0.91 H new ATOM 0 HD2 LYS A 90 -10.308 -14.015 0.707 1.00 1.33 H new ATOM 0 HD3 LYS A 90 -11.903 -14.166 1.416 1.00 1.33 H new ATOM 0 HE2 LYS A 90 -11.830 -11.527 1.563 1.00 1.42 H new ATOM 0 HE3 LYS A 90 -10.521 -11.651 0.404 1.00 1.42 H new ATOM 0 HZ1 LYS A 90 -12.328 -11.409 -0.938 1.00 1.66 H new ATOM 0 HZ2 LYS A 90 -12.210 -13.102 -0.893 1.00 1.66 H new ATOM 0 HZ3 LYS A 90 -13.362 -12.305 0.067 1.00 1.66 H new ATOM 1422 N ARG A 91 -6.784 -14.746 5.547 1.00 1.14 N ATOM 1423 CA ARG A 91 -5.927 -15.357 6.567 1.00 1.17 C ATOM 1424 C ARG A 91 -5.484 -14.255 7.547 1.00 1.18 C ATOM 1425 O ARG A 91 -5.030 -13.223 7.051 1.00 1.19 O ATOM 1426 CB ARG A 91 -4.656 -15.961 5.943 1.00 1.41 C ATOM 1427 CG ARG A 91 -4.917 -17.200 5.078 1.00 1.76 C ATOM 1428 CD ARG A 91 -3.579 -17.836 4.685 1.00 1.97 C ATOM 1429 NE ARG A 91 -3.774 -19.047 3.866 1.00 2.56 N ATOM 1430 CZ ARG A 91 -2.846 -19.954 3.571 1.00 3.44 C ATOM 1431 NH1 ARG A 91 -1.613 -19.882 4.024 1.00 4.20 N ATOM 1432 NH2 ARG A 91 -3.158 -20.981 2.805 1.00 4.30 N ATOM 0 H ARG A 91 -6.375 -13.907 5.136 1.00 1.14 H new ATOM 0 HA ARG A 91 -6.491 -16.147 7.063 1.00 1.17 H new ATOM 0 HB2 ARG A 91 -4.166 -15.201 5.334 1.00 1.41 H new ATOM 0 HB3 ARG A 91 -3.962 -16.226 6.741 1.00 1.41 H new ATOM 0 HG2 ARG A 91 -5.527 -17.918 5.626 1.00 1.76 H new ATOM 0 HG3 ARG A 91 -5.477 -16.923 4.185 1.00 1.76 H new ATOM 0 HD2 ARG A 91 -2.981 -17.113 4.130 1.00 1.97 H new ATOM 0 HD3 ARG A 91 -3.018 -18.091 5.584 1.00 1.97 H new ATOM 0 HE ARG A 91 -4.709 -19.204 3.490 1.00 2.56 H new ATOM 0 HH11 ARG A 91 -1.336 -19.108 4.627 1.00 4.20 H new ATOM 0 HH12 ARG A 91 -0.934 -20.600 3.772 1.00 4.20 H new ATOM 0 HH21 ARG A 91 -4.106 -21.077 2.442 1.00 4.30 H new ATOM 0 HH22 ARG A 91 -2.451 -21.679 2.575 1.00 4.30 H new ATOM 1446 N PRO A 92 -5.508 -14.475 8.880 1.00 1.43 N ATOM 1447 CA PRO A 92 -4.666 -13.720 9.802 1.00 1.50 C ATOM 1448 C PRO A 92 -3.203 -13.998 9.437 1.00 1.34 C ATOM 1449 O PRO A 92 -2.863 -15.121 9.069 1.00 1.44 O ATOM 1450 CB PRO A 92 -5.036 -14.197 11.207 1.00 1.90 C ATOM 1451 CG PRO A 92 -5.521 -15.627 10.977 1.00 1.99 C ATOM 1452 CD PRO A 92 -6.150 -15.582 9.583 1.00 1.74 C ATOM 0 HA PRO A 92 -4.810 -12.641 9.750 1.00 1.50 H new ATOM 0 HB2 PRO A 92 -4.180 -14.166 11.881 1.00 1.90 H new ATOM 0 HB3 PRO A 92 -5.813 -13.575 11.651 1.00 1.90 H new ATOM 0 HG2 PRO A 92 -4.698 -16.340 11.021 1.00 1.99 H new ATOM 0 HG3 PRO A 92 -6.246 -15.930 11.733 1.00 1.99 H new ATOM 0 HD2 PRO A 92 -5.992 -16.522 9.055 1.00 1.74 H new ATOM 0 HD3 PRO A 92 -7.227 -15.429 9.647 1.00 1.74 H new ATOM 1460 N LEU A 93 -2.366 -12.964 9.475 1.00 1.35 N ATOM 1461 CA LEU A 93 -1.054 -12.932 8.829 1.00 1.37 C ATOM 1462 C LEU A 93 -0.010 -13.615 9.716 1.00 1.43 C ATOM 1463 O LEU A 93 0.359 -13.077 10.762 1.00 1.72 O ATOM 1464 CB LEU A 93 -0.662 -11.461 8.542 1.00 1.38 C ATOM 1465 CG LEU A 93 -1.360 -10.724 7.382 1.00 1.49 C ATOM 1466 CD1 LEU A 93 -1.227 -11.468 6.051 1.00 1.55 C ATOM 1467 CD2 LEU A 93 -2.830 -10.406 7.657 1.00 2.13 C ATOM 0 H LEU A 93 -2.587 -12.100 9.970 1.00 1.35 H new ATOM 0 HA LEU A 93 -1.097 -13.476 7.885 1.00 1.37 H new ATOM 0 HB2 LEU A 93 -0.839 -10.888 9.452 1.00 1.38 H new ATOM 0 HB3 LEU A 93 0.411 -11.435 8.352 1.00 1.38 H new ATOM 0 HG LEU A 93 -0.830 -9.775 7.303 1.00 1.49 H new ATOM 0 HD11 LEU A 93 -1.736 -10.906 5.268 1.00 1.55 H new ATOM 0 HD12 LEU A 93 -0.172 -11.572 5.796 1.00 1.55 H new ATOM 0 HD13 LEU A 93 -1.678 -12.456 6.140 1.00 1.55 H new ATOM 0 HD21 LEU A 93 -3.257 -9.888 6.798 1.00 2.13 H new ATOM 0 HD22 LEU A 93 -3.377 -11.333 7.830 1.00 2.13 H new ATOM 0 HD23 LEU A 93 -2.906 -9.770 8.539 1.00 2.13 H new ATOM 1479 N LYS A 94 0.498 -14.785 9.302 1.00 1.39 N ATOM 1480 CA LYS A 94 1.597 -15.468 10.001 1.00 1.49 C ATOM 1481 C LYS A 94 2.942 -15.021 9.449 1.00 1.39 C ATOM 1482 O LYS A 94 3.194 -15.067 8.247 1.00 1.76 O ATOM 1483 CB LYS A 94 1.507 -17.008 9.942 1.00 1.77 C ATOM 1484 CG LYS A 94 0.798 -17.620 11.154 1.00 2.69 C ATOM 1485 CD LYS A 94 -0.666 -17.198 11.276 1.00 4.27 C ATOM 1486 CE LYS A 94 -1.603 -18.016 10.362 1.00 5.12 C ATOM 1487 NZ LYS A 94 -1.601 -17.570 8.946 1.00 5.55 N ATOM 0 H LYS A 94 0.161 -15.282 8.478 1.00 1.39 H new ATOM 0 HA LYS A 94 1.503 -15.182 11.049 1.00 1.49 H new ATOM 0 HB2 LYS A 94 0.978 -17.300 9.035 1.00 1.77 H new ATOM 0 HB3 LYS A 94 2.513 -17.421 9.871 1.00 1.77 H new ATOM 0 HG2 LYS A 94 0.851 -18.707 11.087 1.00 2.69 H new ATOM 0 HG3 LYS A 94 1.329 -17.331 12.061 1.00 2.69 H new ATOM 0 HD2 LYS A 94 -0.987 -17.311 12.312 1.00 4.27 H new ATOM 0 HD3 LYS A 94 -0.756 -16.140 11.028 1.00 4.27 H new ATOM 0 HE2 LYS A 94 -1.310 -19.065 10.403 1.00 5.12 H new ATOM 0 HE3 LYS A 94 -2.619 -17.954 10.751 1.00 5.12 H new ATOM 0 HZ1 LYS A 94 -1.748 -18.390 8.324 1.00 5.55 H new ATOM 0 HZ2 LYS A 94 -2.366 -16.881 8.798 1.00 5.55 H new ATOM 0 HZ3 LYS A 94 -0.688 -17.126 8.723 1.00 5.55 H new ATOM 1501 N ALA A 95 3.836 -14.665 10.363 1.00 1.26 N ATOM 1502 CA ALA A 95 5.238 -14.403 10.026 1.00 1.21 C ATOM 1503 C ALA A 95 5.835 -15.647 9.339 1.00 1.29 C ATOM 1504 O ALA A 95 5.810 -16.730 9.921 1.00 1.47 O ATOM 1505 CB ALA A 95 5.996 -13.995 11.294 1.00 1.31 C ATOM 0 H ALA A 95 3.617 -14.549 11.352 1.00 1.26 H new ATOM 0 HA ALA A 95 5.324 -13.575 9.322 1.00 1.21 H new ATOM 0 HB1 ALA A 95 7.039 -13.799 11.047 1.00 1.31 H new ATOM 0 HB2 ALA A 95 5.547 -13.094 11.712 1.00 1.31 H new ATOM 0 HB3 ALA A 95 5.941 -14.801 12.026 1.00 1.31 H new ATOM 1511 N GLY A 96 6.306 -15.507 8.094 1.00 1.34 N ATOM 1512 CA GLY A 96 6.751 -16.625 7.253 1.00 1.58 C ATOM 1513 C GLY A 96 5.724 -17.140 6.234 1.00 1.63 C ATOM 1514 O GLY A 96 6.031 -18.114 5.552 1.00 1.98 O ATOM 0 H GLY A 96 6.390 -14.600 7.635 1.00 1.34 H new ATOM 0 HA2 GLY A 96 7.647 -16.317 6.714 1.00 1.58 H new ATOM 0 HA3 GLY A 96 7.038 -17.452 7.902 1.00 1.58 H new ATOM 1518 N GLU A 97 4.548 -16.516 6.085 1.00 1.53 N ATOM 1519 CA GLU A 97 3.716 -16.688 4.888 1.00 1.54 C ATOM 1520 C GLU A 97 4.159 -15.719 3.784 1.00 1.32 C ATOM 1521 O GLU A 97 4.835 -14.717 4.035 1.00 1.23 O ATOM 1522 CB GLU A 97 2.227 -16.467 5.209 1.00 1.65 C ATOM 1523 CG GLU A 97 1.637 -17.613 6.035 1.00 2.01 C ATOM 1524 CD GLU A 97 0.159 -17.392 6.350 1.00 2.12 C ATOM 1525 OE1 GLU A 97 -0.177 -16.402 7.035 1.00 2.93 O ATOM 1526 OE2 GLU A 97 -0.668 -18.285 6.052 1.00 2.78 O ATOM 0 H GLU A 97 4.151 -15.886 6.782 1.00 1.53 H new ATOM 0 HA GLU A 97 3.844 -17.712 4.538 1.00 1.54 H new ATOM 0 HB2 GLU A 97 2.110 -15.531 5.754 1.00 1.65 H new ATOM 0 HB3 GLU A 97 1.668 -16.366 4.279 1.00 1.65 H new ATOM 0 HG2 GLU A 97 1.755 -18.550 5.491 1.00 2.01 H new ATOM 0 HG3 GLU A 97 2.195 -17.713 6.966 1.00 2.01 H new ATOM 1533 N GLU A 98 3.717 -15.999 2.564 1.00 1.35 N ATOM 1534 CA GLU A 98 3.712 -15.064 1.444 1.00 1.28 C ATOM 1535 C GLU A 98 2.334 -14.414 1.319 1.00 1.18 C ATOM 1536 O GLU A 98 1.321 -14.987 1.730 1.00 1.55 O ATOM 1537 CB GLU A 98 4.029 -15.797 0.136 1.00 1.67 C ATOM 1538 CG GLU A 98 5.443 -16.379 0.121 1.00 2.05 C ATOM 1539 CD GLU A 98 5.676 -17.121 -1.188 1.00 2.85 C ATOM 1540 OE1 GLU A 98 5.005 -18.159 -1.370 1.00 3.86 O ATOM 1541 OE2 GLU A 98 6.512 -16.640 -1.981 1.00 3.41 O ATOM 0 H GLU A 98 3.339 -16.914 2.318 1.00 1.35 H new ATOM 0 HA GLU A 98 4.470 -14.303 1.628 1.00 1.28 H new ATOM 0 HB2 GLU A 98 3.307 -16.600 -0.011 1.00 1.67 H new ATOM 0 HB3 GLU A 98 3.914 -15.108 -0.701 1.00 1.67 H new ATOM 0 HG2 GLU A 98 6.177 -15.581 0.234 1.00 2.05 H new ATOM 0 HG3 GLU A 98 5.577 -17.057 0.964 1.00 2.05 H new ATOM 1548 N VAL A 99 2.288 -13.238 0.694 1.00 0.90 N ATOM 1549 CA VAL A 99 1.054 -12.554 0.303 1.00 0.81 C ATOM 1550 C VAL A 99 1.034 -12.386 -1.209 1.00 0.89 C ATOM 1551 O VAL A 99 1.933 -11.793 -1.800 1.00 1.01 O ATOM 1552 CB VAL A 99 0.899 -11.200 1.032 1.00 0.72 C ATOM 1553 CG1 VAL A 99 -0.155 -10.283 0.372 1.00 0.72 C ATOM 1554 CG2 VAL A 99 0.533 -11.508 2.496 1.00 0.82 C ATOM 0 H VAL A 99 3.129 -12.721 0.439 1.00 0.90 H new ATOM 0 HA VAL A 99 0.200 -13.162 0.602 1.00 0.81 H new ATOM 0 HB VAL A 99 1.837 -10.648 0.973 1.00 0.72 H new ATOM 0 HG11 VAL A 99 -0.221 -9.347 0.926 1.00 0.72 H new ATOM 0 HG12 VAL A 99 0.137 -10.075 -0.657 1.00 0.72 H new ATOM 0 HG13 VAL A 99 -1.126 -10.779 0.381 1.00 0.72 H new ATOM 0 HG21 VAL A 99 0.415 -10.574 3.046 1.00 0.82 H new ATOM 0 HG22 VAL A 99 -0.401 -12.068 2.527 1.00 0.82 H new ATOM 0 HG23 VAL A 99 1.326 -12.100 2.953 1.00 0.82 H new ATOM 1564 N GLU A 100 -0.048 -12.896 -1.792 1.00 1.08 N ATOM 1565 CA GLU A 100 -0.482 -12.655 -3.163 1.00 1.23 C ATOM 1566 C GLU A 100 -1.057 -11.233 -3.245 1.00 0.90 C ATOM 1567 O GLU A 100 -1.847 -10.847 -2.374 1.00 0.96 O ATOM 1568 CB GLU A 100 -1.549 -13.712 -3.529 1.00 1.76 C ATOM 1569 CG GLU A 100 -1.185 -14.593 -4.730 1.00 1.80 C ATOM 1570 CD GLU A 100 -1.470 -13.888 -6.051 1.00 2.13 C ATOM 1571 OE1 GLU A 100 -1.280 -12.656 -6.134 1.00 3.05 O ATOM 1572 OE2 GLU A 100 -1.892 -14.551 -7.022 1.00 2.73 O ATOM 0 H GLU A 100 -0.679 -13.522 -1.292 1.00 1.08 H new ATOM 0 HA GLU A 100 0.347 -12.738 -3.866 1.00 1.23 H new ATOM 0 HB2 GLU A 100 -1.720 -14.352 -2.663 1.00 1.76 H new ATOM 0 HB3 GLU A 100 -2.489 -13.203 -3.740 1.00 1.76 H new ATOM 0 HG2 GLU A 100 -0.129 -14.859 -4.680 1.00 1.80 H new ATOM 0 HG3 GLU A 100 -1.751 -15.523 -4.684 1.00 1.80 H new ATOM 1579 N LEU A 101 -0.672 -10.466 -4.273 1.00 0.86 N ATOM 1580 CA LEU A 101 -1.131 -9.093 -4.504 1.00 0.68 C ATOM 1581 C LEU A 101 -0.969 -8.627 -5.961 1.00 0.74 C ATOM 1582 O LEU A 101 0.141 -8.515 -6.488 1.00 0.87 O ATOM 1583 CB LEU A 101 -0.455 -8.107 -3.527 1.00 0.71 C ATOM 1584 CG LEU A 101 -1.350 -7.617 -2.380 1.00 1.10 C ATOM 1585 CD1 LEU A 101 -0.535 -6.895 -1.317 1.00 1.49 C ATOM 1586 CD2 LEU A 101 -2.408 -6.628 -2.888 1.00 1.36 C ATOM 0 H LEU A 101 -0.017 -10.792 -4.983 1.00 0.86 H new ATOM 0 HA LEU A 101 -2.203 -9.099 -4.308 1.00 0.68 H new ATOM 0 HB2 LEU A 101 0.426 -8.587 -3.101 1.00 0.71 H new ATOM 0 HB3 LEU A 101 -0.106 -7.242 -4.091 1.00 0.71 H new ATOM 0 HG LEU A 101 -1.826 -8.503 -1.959 1.00 1.10 H new ATOM 0 HD11 LEU A 101 -1.196 -6.559 -0.518 1.00 1.49 H new ATOM 0 HD12 LEU A 101 0.213 -7.574 -0.908 1.00 1.49 H new ATOM 0 HD13 LEU A 101 -0.038 -6.033 -1.763 1.00 1.49 H new ATOM 0 HD21 LEU A 101 -3.027 -6.298 -2.054 1.00 1.36 H new ATOM 0 HD22 LEU A 101 -1.914 -5.766 -3.337 1.00 1.36 H new ATOM 0 HD23 LEU A 101 -3.035 -7.117 -3.634 1.00 1.36 H new ATOM 1598 N ASP A 102 -2.097 -8.257 -6.566 1.00 0.70 N ATOM 1599 CA ASP A 102 -2.225 -7.574 -7.857 1.00 0.76 C ATOM 1600 C ASP A 102 -2.587 -6.093 -7.656 1.00 0.65 C ATOM 1601 O ASP A 102 -3.695 -5.763 -7.232 1.00 0.76 O ATOM 1602 CB ASP A 102 -3.330 -8.266 -8.677 1.00 1.10 C ATOM 1603 CG ASP A 102 -2.841 -9.449 -9.516 1.00 1.54 C ATOM 1604 OD1 ASP A 102 -1.726 -9.393 -10.083 1.00 2.97 O ATOM 1605 OD2 ASP A 102 -3.582 -10.455 -9.568 1.00 1.73 O ATOM 0 H ASP A 102 -3.007 -8.437 -6.141 1.00 0.70 H new ATOM 0 HA ASP A 102 -1.272 -7.627 -8.384 1.00 0.76 H new ATOM 0 HB2 ASP A 102 -4.108 -8.614 -7.997 1.00 1.10 H new ATOM 0 HB3 ASP A 102 -3.790 -7.532 -9.338 1.00 1.10 H new ATOM 1610 N LEU A 103 -1.669 -5.185 -7.990 1.00 0.57 N ATOM 1611 CA LEU A 103 -1.904 -3.737 -8.011 1.00 0.52 C ATOM 1612 C LEU A 103 -2.848 -3.346 -9.152 1.00 0.57 C ATOM 1613 O LEU A 103 -2.626 -3.744 -10.294 1.00 0.69 O ATOM 1614 CB LEU A 103 -0.572 -2.996 -8.210 1.00 0.59 C ATOM 1615 CG LEU A 103 0.511 -3.252 -7.154 1.00 0.75 C ATOM 1616 CD1 LEU A 103 1.708 -2.344 -7.463 1.00 1.27 C ATOM 1617 CD2 LEU A 103 0.020 -2.986 -5.725 1.00 1.05 C ATOM 0 H LEU A 103 -0.719 -5.440 -8.260 1.00 0.57 H new ATOM 0 HA LEU A 103 -2.358 -3.461 -7.059 1.00 0.52 H new ATOM 0 HB2 LEU A 103 -0.170 -3.270 -9.186 1.00 0.59 H new ATOM 0 HB3 LEU A 103 -0.776 -1.926 -8.238 1.00 0.59 H new ATOM 0 HG LEU A 103 0.788 -4.305 -7.201 1.00 0.75 H new ATOM 0 HD11 LEU A 103 2.491 -2.510 -6.723 1.00 1.27 H new ATOM 0 HD12 LEU A 103 2.093 -2.575 -8.456 1.00 1.27 H new ATOM 0 HD13 LEU A 103 1.392 -1.301 -7.429 1.00 1.27 H new ATOM 0 HD21 LEU A 103 0.828 -3.183 -5.020 1.00 1.05 H new ATOM 0 HD22 LEU A 103 -0.293 -1.946 -5.636 1.00 1.05 H new ATOM 0 HD23 LEU A 103 -0.824 -3.639 -5.503 1.00 1.05 H new ATOM 1629 N LEU A 104 -3.858 -2.517 -8.865 1.00 0.51 N ATOM 1630 CA LEU A 104 -4.813 -2.018 -9.861 1.00 0.51 C ATOM 1631 C LEU A 104 -4.407 -0.635 -10.373 1.00 0.49 C ATOM 1632 O LEU A 104 -4.162 0.289 -9.590 1.00 0.48 O ATOM 1633 CB LEU A 104 -6.241 -1.930 -9.284 1.00 0.53 C ATOM 1634 CG LEU A 104 -6.783 -3.186 -8.589 1.00 0.61 C ATOM 1635 CD1 LEU A 104 -8.251 -2.970 -8.199 1.00 0.72 C ATOM 1636 CD2 LEU A 104 -6.648 -4.448 -9.453 1.00 0.63 C ATOM 0 H LEU A 104 -4.037 -2.170 -7.923 1.00 0.51 H new ATOM 0 HA LEU A 104 -4.802 -2.731 -10.685 1.00 0.51 H new ATOM 0 HB2 LEU A 104 -6.269 -1.107 -8.570 1.00 0.53 H new ATOM 0 HB3 LEU A 104 -6.920 -1.671 -10.096 1.00 0.53 H new ATOM 0 HG LEU A 104 -6.179 -3.347 -7.696 1.00 0.61 H new ATOM 0 HD11 LEU A 104 -8.632 -3.864 -7.706 1.00 0.72 H new ATOM 0 HD12 LEU A 104 -8.326 -2.121 -7.519 1.00 0.72 H new ATOM 0 HD13 LEU A 104 -8.840 -2.771 -9.094 1.00 0.72 H new ATOM 0 HD21 LEU A 104 -7.047 -5.305 -8.910 1.00 0.63 H new ATOM 0 HD22 LEU A 104 -7.204 -4.315 -10.381 1.00 0.63 H new ATOM 0 HD23 LEU A 104 -5.597 -4.622 -9.682 1.00 0.63 H new ATOM 1648 N PHE A 105 -4.445 -0.449 -11.691 1.00 0.53 N ATOM 1649 CA PHE A 105 -4.124 0.828 -12.328 1.00 0.55 C ATOM 1650 C PHE A 105 -5.241 1.308 -13.268 1.00 0.63 C ATOM 1651 O PHE A 105 -5.991 0.529 -13.863 1.00 0.95 O ATOM 1652 CB PHE A 105 -2.814 0.671 -13.107 1.00 0.60 C ATOM 1653 CG PHE A 105 -1.560 0.504 -12.277 1.00 0.56 C ATOM 1654 CD1 PHE A 105 -1.116 -0.782 -11.918 1.00 1.89 C ATOM 1655 CD2 PHE A 105 -0.793 1.632 -11.936 1.00 2.05 C ATOM 1656 CE1 PHE A 105 0.086 -0.931 -11.205 1.00 1.80 C ATOM 1657 CE2 PHE A 105 0.408 1.480 -11.231 1.00 2.17 C ATOM 1658 CZ PHE A 105 0.850 0.198 -10.867 1.00 0.70 C ATOM 0 H PHE A 105 -4.701 -1.183 -12.351 1.00 0.53 H new ATOM 0 HA PHE A 105 -4.020 1.583 -11.549 1.00 0.55 H new ATOM 0 HB2 PHE A 105 -2.908 -0.193 -13.764 1.00 0.60 H new ATOM 0 HB3 PHE A 105 -2.688 1.545 -13.746 1.00 0.60 H new ATOM 0 HD1 PHE A 105 -1.697 -1.651 -12.189 1.00 1.89 H new ATOM 0 HD2 PHE A 105 -1.131 2.618 -12.218 1.00 2.05 H new ATOM 0 HE1 PHE A 105 0.423 -1.916 -10.916 1.00 1.80 H new ATOM 0 HE2 PHE A 105 0.994 2.348 -10.968 1.00 2.17 H new ATOM 0 HZ PHE A 105 1.778 0.080 -10.327 1.00 0.70 H new ATOM 1668 N ALA A 106 -5.317 2.630 -13.432 1.00 0.57 N ATOM 1669 CA ALA A 106 -6.343 3.296 -14.234 1.00 0.65 C ATOM 1670 C ALA A 106 -6.350 2.841 -15.710 1.00 1.31 C ATOM 1671 O ALA A 106 -5.310 2.757 -16.372 1.00 2.10 O ATOM 1672 CB ALA A 106 -6.158 4.813 -14.103 1.00 1.19 C ATOM 0 H ALA A 106 -4.656 3.278 -13.004 1.00 0.57 H new ATOM 0 HA ALA A 106 -7.322 3.010 -13.849 1.00 0.65 H new ATOM 0 HB1 ALA A 106 -6.916 5.325 -14.696 1.00 1.19 H new ATOM 0 HB2 ALA A 106 -6.259 5.103 -13.057 1.00 1.19 H new ATOM 0 HB3 ALA A 106 -5.167 5.091 -14.463 1.00 1.19 H new ATOM 1678 N GLY A 107 -7.548 2.568 -16.244 1.00 2.02 N ATOM 1679 CA GLY A 107 -7.762 2.247 -17.662 1.00 2.91 C ATOM 1680 C GLY A 107 -7.253 0.864 -18.075 1.00 2.54 C ATOM 1681 O GLY A 107 -6.556 0.759 -19.084 1.00 3.91 O ATOM 0 H GLY A 107 -8.408 2.564 -15.696 1.00 2.02 H new ATOM 0 HA2 GLY A 107 -8.828 2.310 -17.880 1.00 2.91 H new ATOM 0 HA3 GLY A 107 -7.266 3.002 -18.273 1.00 2.91 H new ATOM 1685 N GLY A 108 -7.549 -0.180 -17.293 1.00 1.32 N ATOM 1686 CA GLY A 108 -7.372 -1.581 -17.708 1.00 1.32 C ATOM 1687 C GLY A 108 -5.970 -2.167 -17.513 1.00 1.14 C ATOM 1688 O GLY A 108 -5.652 -3.170 -18.142 1.00 1.52 O ATOM 0 H GLY A 108 -7.920 -0.079 -16.348 1.00 1.32 H new ATOM 0 HA2 GLY A 108 -8.081 -2.196 -17.154 1.00 1.32 H new ATOM 0 HA3 GLY A 108 -7.635 -1.663 -18.763 1.00 1.32 H new ATOM 1692 N LYS A 109 -5.121 -1.573 -16.671 1.00 0.81 N ATOM 1693 CA LYS A 109 -3.851 -2.175 -16.259 1.00 0.77 C ATOM 1694 C LYS A 109 -3.988 -2.822 -14.869 1.00 0.72 C ATOM 1695 O LYS A 109 -4.613 -2.245 -13.984 1.00 0.78 O ATOM 1696 CB LYS A 109 -2.767 -1.088 -16.213 1.00 0.77 C ATOM 1697 CG LYS A 109 -2.008 -0.833 -17.520 1.00 1.19 C ATOM 1698 CD LYS A 109 -2.816 -0.088 -18.595 1.00 2.47 C ATOM 1699 CE LYS A 109 -3.149 1.333 -18.119 1.00 3.44 C ATOM 1700 NZ LYS A 109 -4.061 2.040 -19.044 1.00 4.49 N ATOM 0 H LYS A 109 -5.296 -0.658 -16.255 1.00 0.81 H new ATOM 0 HA LYS A 109 -3.575 -2.946 -16.978 1.00 0.77 H new ATOM 0 HB2 LYS A 109 -3.232 -0.154 -15.899 1.00 0.77 H new ATOM 0 HB3 LYS A 109 -2.043 -1.358 -15.444 1.00 0.77 H new ATOM 0 HG2 LYS A 109 -1.109 -0.258 -17.297 1.00 1.19 H new ATOM 0 HG3 LYS A 109 -1.681 -1.790 -17.928 1.00 1.19 H new ATOM 0 HD2 LYS A 109 -2.246 -0.044 -19.523 1.00 2.47 H new ATOM 0 HD3 LYS A 109 -3.736 -0.632 -18.811 1.00 2.47 H new ATOM 0 HE2 LYS A 109 -3.605 1.284 -17.130 1.00 3.44 H new ATOM 0 HE3 LYS A 109 -2.226 1.904 -18.016 1.00 3.44 H new ATOM 0 HZ1 LYS A 109 -4.215 3.011 -18.705 1.00 4.49 H new ATOM 0 HZ2 LYS A 109 -3.639 2.067 -19.994 1.00 4.49 H new ATOM 0 HZ3 LYS A 109 -4.972 1.539 -19.084 1.00 4.49 H new ATOM 1714 N VAL A 110 -3.326 -3.955 -14.656 1.00 0.78 N ATOM 1715 CA VAL A 110 -3.207 -4.654 -13.373 1.00 0.72 C ATOM 1716 C VAL A 110 -1.892 -5.441 -13.369 1.00 0.79 C ATOM 1717 O VAL A 110 -1.527 -5.988 -14.412 1.00 0.95 O ATOM 1718 CB VAL A 110 -4.446 -5.541 -13.117 1.00 0.79 C ATOM 1719 CG1 VAL A 110 -4.763 -6.506 -14.274 1.00 0.96 C ATOM 1720 CG2 VAL A 110 -4.352 -6.340 -11.810 1.00 0.79 C ATOM 0 H VAL A 110 -2.833 -4.437 -15.407 1.00 0.78 H new ATOM 0 HA VAL A 110 -3.178 -3.942 -12.548 1.00 0.72 H new ATOM 0 HB VAL A 110 -5.265 -4.826 -13.035 1.00 0.79 H new ATOM 0 HG11 VAL A 110 -5.645 -7.096 -14.024 1.00 0.96 H new ATOM 0 HG12 VAL A 110 -4.954 -5.935 -15.182 1.00 0.96 H new ATOM 0 HG13 VAL A 110 -3.915 -7.171 -14.436 1.00 0.96 H new ATOM 0 HG21 VAL A 110 -5.252 -6.943 -11.687 1.00 0.79 H new ATOM 0 HG22 VAL A 110 -3.480 -6.993 -11.844 1.00 0.79 H new ATOM 0 HG23 VAL A 110 -4.258 -5.653 -10.969 1.00 0.79 H new ATOM 1730 N LEU A 111 -1.152 -5.432 -12.252 1.00 0.72 N ATOM 1731 CA LEU A 111 0.228 -5.938 -12.181 1.00 0.78 C ATOM 1732 C LEU A 111 0.540 -6.608 -10.836 1.00 0.85 C ATOM 1733 O LEU A 111 0.399 -6.005 -9.773 1.00 0.92 O ATOM 1734 CB LEU A 111 1.229 -4.785 -12.420 1.00 0.89 C ATOM 1735 CG LEU A 111 1.231 -4.157 -13.830 1.00 1.07 C ATOM 1736 CD1 LEU A 111 2.150 -2.927 -13.846 1.00 1.63 C ATOM 1737 CD2 LEU A 111 1.714 -5.147 -14.904 1.00 1.49 C ATOM 0 H LEU A 111 -1.497 -5.070 -11.363 1.00 0.72 H new ATOM 0 HA LEU A 111 0.328 -6.694 -12.960 1.00 0.78 H new ATOM 0 HB2 LEU A 111 1.022 -3.997 -11.696 1.00 0.89 H new ATOM 0 HB3 LEU A 111 2.232 -5.155 -12.210 1.00 0.89 H new ATOM 0 HG LEU A 111 0.204 -3.876 -14.061 1.00 1.07 H new ATOM 0 HD11 LEU A 111 2.150 -2.486 -14.843 1.00 1.63 H new ATOM 0 HD12 LEU A 111 1.789 -2.194 -13.124 1.00 1.63 H new ATOM 0 HD13 LEU A 111 3.164 -3.227 -13.582 1.00 1.63 H new ATOM 0 HD21 LEU A 111 1.699 -4.661 -15.880 1.00 1.49 H new ATOM 0 HD22 LEU A 111 2.730 -5.466 -14.674 1.00 1.49 H new ATOM 0 HD23 LEU A 111 1.056 -6.016 -14.921 1.00 1.49 H new ATOM 1749 N LYS A 112 1.054 -7.837 -10.895 1.00 1.08 N ATOM 1750 CA LYS A 112 1.414 -8.644 -9.724 1.00 1.25 C ATOM 1751 C LYS A 112 2.665 -8.093 -9.006 1.00 1.37 C ATOM 1752 O LYS A 112 3.660 -7.806 -9.668 1.00 1.94 O ATOM 1753 CB LYS A 112 1.650 -10.080 -10.234 1.00 1.99 C ATOM 1754 CG LYS A 112 1.742 -11.144 -9.130 1.00 2.27 C ATOM 1755 CD LYS A 112 0.394 -11.493 -8.487 1.00 2.05 C ATOM 1756 CE LYS A 112 -0.555 -12.196 -9.468 1.00 1.66 C ATOM 1757 NZ LYS A 112 -1.865 -12.473 -8.843 1.00 2.43 N ATOM 0 H LYS A 112 1.237 -8.312 -11.779 1.00 1.08 H new ATOM 0 HA LYS A 112 0.614 -8.617 -8.984 1.00 1.25 H new ATOM 0 HB2 LYS A 112 0.840 -10.348 -10.912 1.00 1.99 H new ATOM 0 HB3 LYS A 112 2.572 -10.098 -10.815 1.00 1.99 H new ATOM 0 HG2 LYS A 112 2.179 -12.051 -9.549 1.00 2.27 H new ATOM 0 HG3 LYS A 112 2.422 -10.791 -8.355 1.00 2.27 H new ATOM 0 HD2 LYS A 112 0.562 -12.136 -7.623 1.00 2.05 H new ATOM 0 HD3 LYS A 112 -0.077 -10.582 -8.119 1.00 2.05 H new ATOM 0 HE2 LYS A 112 -0.696 -11.573 -10.351 1.00 1.66 H new ATOM 0 HE3 LYS A 112 -0.106 -13.130 -9.805 1.00 1.66 H new ATOM 0 HZ1 LYS A 112 -2.066 -13.492 -8.894 1.00 2.43 H new ATOM 0 HZ2 LYS A 112 -1.845 -12.174 -7.847 1.00 2.43 H new ATOM 0 HZ3 LYS A 112 -2.608 -11.948 -9.347 1.00 2.43 H new ATOM 1771 N VAL A 113 2.665 -8.014 -7.670 1.00 1.07 N ATOM 1772 CA VAL A 113 3.851 -7.668 -6.848 1.00 1.35 C ATOM 1773 C VAL A 113 3.977 -8.596 -5.633 1.00 1.47 C ATOM 1774 O VAL A 113 2.975 -9.111 -5.142 1.00 1.42 O ATOM 1775 CB VAL A 113 3.862 -6.186 -6.403 1.00 1.42 C ATOM 1776 CG1 VAL A 113 3.976 -5.233 -7.604 1.00 1.61 C ATOM 1777 CG2 VAL A 113 2.639 -5.814 -5.548 1.00 1.43 C ATOM 0 H VAL A 113 1.830 -8.190 -7.111 1.00 1.07 H new ATOM 0 HA VAL A 113 4.719 -7.814 -7.491 1.00 1.35 H new ATOM 0 HB VAL A 113 4.748 -6.069 -5.779 1.00 1.42 H new ATOM 0 HG11 VAL A 113 3.981 -4.202 -7.251 1.00 1.61 H new ATOM 0 HG12 VAL A 113 4.901 -5.436 -8.143 1.00 1.61 H new ATOM 0 HG13 VAL A 113 3.127 -5.385 -8.271 1.00 1.61 H new ATOM 0 HG21 VAL A 113 2.699 -4.763 -5.264 1.00 1.43 H new ATOM 0 HG22 VAL A 113 1.728 -5.983 -6.123 1.00 1.43 H new ATOM 0 HG23 VAL A 113 2.621 -6.432 -4.650 1.00 1.43 H new ATOM 1787 N VAL A 114 5.216 -8.818 -5.167 1.00 1.69 N ATOM 1788 CA VAL A 114 5.550 -9.820 -4.135 1.00 1.63 C ATOM 1789 C VAL A 114 5.767 -9.192 -2.754 1.00 1.41 C ATOM 1790 O VAL A 114 6.446 -8.170 -2.618 1.00 1.95 O ATOM 1791 CB VAL A 114 6.766 -10.678 -4.561 1.00 2.45 C ATOM 1792 CG1 VAL A 114 8.075 -9.878 -4.699 1.00 3.86 C ATOM 1793 CG2 VAL A 114 6.984 -11.867 -3.612 1.00 2.48 C ATOM 0 H VAL A 114 6.029 -8.300 -5.500 1.00 1.69 H new ATOM 0 HA VAL A 114 4.686 -10.478 -4.045 1.00 1.63 H new ATOM 0 HB VAL A 114 6.511 -11.049 -5.554 1.00 2.45 H new ATOM 0 HG11 VAL A 114 8.881 -10.548 -5.000 1.00 3.86 H new ATOM 0 HG12 VAL A 114 7.949 -9.101 -5.453 1.00 3.86 H new ATOM 0 HG13 VAL A 114 8.323 -9.419 -3.742 1.00 3.86 H new ATOM 0 HG21 VAL A 114 7.846 -12.445 -3.945 1.00 2.48 H new ATOM 0 HG22 VAL A 114 7.162 -11.498 -2.602 1.00 2.48 H new ATOM 0 HG23 VAL A 114 6.098 -12.502 -3.616 1.00 2.48 H new ATOM 1803 N LEU A 115 5.177 -9.819 -1.730 1.00 0.90 N ATOM 1804 CA LEU A 115 5.313 -9.438 -0.327 1.00 1.05 C ATOM 1805 C LEU A 115 5.384 -10.712 0.552 1.00 0.91 C ATOM 1806 O LEU A 115 4.461 -11.529 0.483 1.00 0.99 O ATOM 1807 CB LEU A 115 4.105 -8.581 0.115 1.00 1.38 C ATOM 1808 CG LEU A 115 3.800 -7.262 -0.636 1.00 1.60 C ATOM 1809 CD1 LEU A 115 3.005 -7.458 -1.937 1.00 2.00 C ATOM 1810 CD2 LEU A 115 2.945 -6.365 0.269 1.00 3.68 C ATOM 0 H LEU A 115 4.574 -10.631 -1.863 1.00 0.90 H new ATOM 0 HA LEU A 115 6.227 -8.855 -0.208 1.00 1.05 H new ATOM 0 HB2 LEU A 115 3.216 -9.209 0.050 1.00 1.38 H new ATOM 0 HB3 LEU A 115 4.245 -8.335 1.167 1.00 1.38 H new ATOM 0 HG LEU A 115 4.767 -6.827 -0.888 1.00 1.60 H new ATOM 0 HD11 LEU A 115 2.830 -6.490 -2.406 1.00 2.00 H new ATOM 0 HD12 LEU A 115 3.572 -8.094 -2.617 1.00 2.00 H new ATOM 0 HD13 LEU A 115 2.049 -7.930 -1.711 1.00 2.00 H new ATOM 0 HD21 LEU A 115 2.723 -5.432 -0.249 1.00 3.68 H new ATOM 0 HD22 LEU A 115 2.013 -6.876 0.512 1.00 3.68 H new ATOM 0 HD23 LEU A 115 3.491 -6.149 1.188 1.00 3.68 H new ATOM 1822 N PRO A 116 6.410 -10.895 1.407 1.00 0.96 N ATOM 1823 CA PRO A 116 6.389 -11.864 2.499 1.00 1.06 C ATOM 1824 C PRO A 116 5.755 -11.247 3.756 1.00 1.01 C ATOM 1825 O PRO A 116 5.722 -10.025 3.923 1.00 1.06 O ATOM 1826 CB PRO A 116 7.858 -12.217 2.732 1.00 1.30 C ATOM 1827 CG PRO A 116 8.569 -10.896 2.445 1.00 1.28 C ATOM 1828 CD PRO A 116 7.712 -10.246 1.358 1.00 1.04 C ATOM 0 HA PRO A 116 5.794 -12.746 2.264 1.00 1.06 H new ATOM 0 HB2 PRO A 116 8.036 -12.560 3.751 1.00 1.30 H new ATOM 0 HB3 PRO A 116 8.194 -13.011 2.066 1.00 1.30 H new ATOM 0 HG2 PRO A 116 8.626 -10.271 3.336 1.00 1.28 H new ATOM 0 HG3 PRO A 116 9.591 -11.058 2.104 1.00 1.28 H new ATOM 0 HD2 PRO A 116 7.617 -9.174 1.530 1.00 1.04 H new ATOM 0 HD3 PRO A 116 8.170 -10.372 0.377 1.00 1.04 H new ATOM 1836 N VAL A 117 5.284 -12.089 4.674 1.00 1.03 N ATOM 1837 CA VAL A 117 4.795 -11.681 5.984 1.00 1.02 C ATOM 1838 C VAL A 117 5.927 -11.767 7.016 1.00 1.24 C ATOM 1839 O VAL A 117 6.658 -12.757 7.060 1.00 1.42 O ATOM 1840 CB VAL A 117 3.624 -12.575 6.410 1.00 1.00 C ATOM 1841 CG1 VAL A 117 3.045 -12.065 7.731 1.00 0.99 C ATOM 1842 CG2 VAL A 117 2.483 -12.606 5.383 1.00 0.98 C ATOM 0 H VAL A 117 5.232 -13.096 4.521 1.00 1.03 H new ATOM 0 HA VAL A 117 4.447 -10.650 5.927 1.00 1.02 H new ATOM 0 HB VAL A 117 4.027 -13.583 6.504 1.00 1.00 H new ATOM 0 HG11 VAL A 117 2.213 -12.701 8.033 1.00 0.99 H new ATOM 0 HG12 VAL A 117 3.817 -12.088 8.500 1.00 0.99 H new ATOM 0 HG13 VAL A 117 2.692 -11.042 7.603 1.00 0.99 H new ATOM 0 HG21 VAL A 117 1.686 -13.256 5.744 1.00 0.98 H new ATOM 0 HG22 VAL A 117 2.093 -11.598 5.242 1.00 0.98 H new ATOM 0 HG23 VAL A 117 2.859 -12.986 4.433 1.00 0.98 H new ATOM 1852 N GLU A 118 6.036 -10.760 7.883 1.00 1.34 N ATOM 1853 CA GLU A 118 7.061 -10.681 8.926 1.00 1.62 C ATOM 1854 C GLU A 118 6.464 -10.113 10.224 1.00 1.86 C ATOM 1855 O GLU A 118 5.553 -9.281 10.195 1.00 1.78 O ATOM 1856 CB GLU A 118 8.220 -9.811 8.403 1.00 1.73 C ATOM 1857 CG GLU A 118 9.475 -9.835 9.298 1.00 2.21 C ATOM 1858 CD GLU A 118 10.513 -8.777 8.916 1.00 2.27 C ATOM 1859 OE1 GLU A 118 10.354 -8.127 7.865 1.00 2.68 O ATOM 1860 OE2 GLU A 118 11.430 -8.554 9.738 1.00 3.30 O ATOM 0 H GLU A 118 5.402 -9.961 7.881 1.00 1.34 H new ATOM 0 HA GLU A 118 7.441 -11.676 9.160 1.00 1.62 H new ATOM 0 HB2 GLU A 118 8.493 -10.150 7.403 1.00 1.73 H new ATOM 0 HB3 GLU A 118 7.874 -8.782 8.308 1.00 1.73 H new ATOM 0 HG2 GLU A 118 9.176 -9.682 10.335 1.00 2.21 H new ATOM 0 HG3 GLU A 118 9.934 -10.822 9.241 1.00 2.21 H new ATOM 1867 N ALA A 119 7.015 -10.516 11.376 1.00 2.37 N ATOM 1868 CA ALA A 119 6.817 -9.832 12.657 1.00 2.47 C ATOM 1869 C ALA A 119 7.663 -8.538 12.702 1.00 2.75 C ATOM 1870 O ALA A 119 8.568 -8.394 13.526 1.00 3.24 O ATOM 1871 CB ALA A 119 7.129 -10.825 13.787 1.00 2.72 C ATOM 0 H ALA A 119 7.618 -11.336 11.444 1.00 2.37 H new ATOM 0 HA ALA A 119 5.784 -9.509 12.785 1.00 2.47 H new ATOM 0 HB1 ALA A 119 6.988 -10.336 14.751 1.00 2.72 H new ATOM 0 HB2 ALA A 119 6.459 -11.682 13.714 1.00 2.72 H new ATOM 0 HB3 ALA A 119 8.162 -11.163 13.700 1.00 2.72 H new ATOM 1877 N ARG A 120 7.404 -7.645 11.739 1.00 2.76 N ATOM 1878 CA ARG A 120 8.208 -6.449 11.472 1.00 3.21 C ATOM 1879 C ARG A 120 7.815 -5.268 12.353 1.00 3.55 C ATOM 1880 O ARG A 120 8.726 -4.535 12.798 1.00 4.59 O ATOM 1881 CB ARG A 120 8.181 -6.121 9.964 1.00 3.12 C ATOM 1882 CG ARG A 120 9.132 -5.015 9.454 1.00 2.89 C ATOM 1883 CD ARG A 120 10.631 -5.204 9.750 1.00 3.42 C ATOM 1884 NE ARG A 120 10.898 -5.018 11.179 1.00 3.58 N ATOM 1885 CZ ARG A 120 11.493 -5.851 12.003 1.00 4.64 C ATOM 1886 NH1 ARG A 120 12.251 -6.847 11.647 1.00 5.49 N ATOM 1887 NH2 ARG A 120 11.227 -5.702 13.264 1.00 5.45 N ATOM 1888 OXT ARG A 120 6.602 -5.063 12.564 1.00 3.49 O ATOM 0 H ARG A 120 6.608 -7.738 11.108 1.00 2.76 H new ATOM 0 HA ARG A 120 9.241 -6.663 11.744 1.00 3.21 H new ATOM 0 HB2 ARG A 120 8.407 -7.036 9.417 1.00 3.12 H new ATOM 0 HB3 ARG A 120 7.162 -5.836 9.701 1.00 3.12 H new ATOM 0 HG2 ARG A 120 9.006 -4.929 8.375 1.00 2.89 H new ATOM 0 HG3 ARG A 120 8.816 -4.067 9.889 1.00 2.89 H new ATOM 0 HD2 ARG A 120 10.946 -6.201 9.442 1.00 3.42 H new ATOM 0 HD3 ARG A 120 11.216 -4.491 9.169 1.00 3.42 H new ATOM 0 HE ARG A 120 10.584 -4.135 11.583 1.00 3.58 H new ATOM 0 HH11 ARG A 120 12.422 -7.030 10.658 1.00 5.49 H new ATOM 0 HH12 ARG A 120 12.674 -7.445 12.357 1.00 5.49 H new ATOM 0 HH21 ARG A 120 10.586 -4.968 13.567 1.00 5.45 H new ATOM 0 HH22 ARG A 120 11.658 -6.319 13.953 1.00 5.45 H new