USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=18 USER MOD reduce.3.24.130724 removed 970 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 83 HIS : no HD1:sc= 0 X(o=-0.27,f=-0.68) USER MOD Set 1.2: A 85 MET CE :methyl -139:sc= -0.268 (180deg=-0.837) USER MOD Set 2.1: A 48 THR OG1 : rot 180:sc=-0.00859 USER MOD Set 2.2: A 61 MET CE :methyl 163:sc= 0 (180deg=-0.566) USER MOD Set 3.1: A 1 GLY N :NH3+ 143:sc= 0.617 (180deg=-0.266!) USER MOD Set 3.2: A 4 THR OG1 : rot 28:sc= 0.964 USER MOD Single : A 2 SER OG : rot -109:sc= 1.16 USER MOD Single : A 11 SER OG : rot 43:sc= 1.03 USER MOD Single : A 15 ASN : amide:sc=-0.00668 K(o=-0.0067,f=-1.5) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 75:sc= 0.584 USER MOD Single : A 24 ASN : amide:sc= 0.157 K(o=0.16,f=-3.3!) USER MOD Single : A 37 THR OG1 : rot 175:sc= -1.1 USER MOD Single : A 46 HIS : no HD1:sc= 0.218 K(o=0.22,f=-4.1!) USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -144:sc= 0.312 (180deg=-1.06!) USER MOD Single : A 57 LYS NZ :NH3+ 157:sc= 0.742 (180deg=-0.71!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -149:sc= -0.218 (180deg=-1.35!) USER MOD Single : A 78 LYS NZ :NH3+ -172:sc= 2.45 (180deg=2.2) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -175:sc= 2.5 (180deg=2.38) USER MOD Single : A 94 LYS NZ :NH3+ 177:sc= 0 (180deg=-0.012) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 155:sc= 1.18 (180deg=-0.501!) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 11.829 -5.179 -8.933 1.00 10.42 N ATOM 2 CA GLY A 1 10.780 -6.212 -8.885 1.00 10.93 C ATOM 3 C GLY A 1 11.447 -7.553 -8.699 1.00 10.92 C ATOM 4 O GLY A 1 12.023 -8.063 -9.649 1.00 11.80 O ATOM 0 H1 GLY A 1 11.564 -4.447 -9.623 1.00 10.42 H new ATOM 0 H2 GLY A 1 11.934 -4.747 -7.993 1.00 10.42 H new ATOM 0 H3 GLY A 1 12.731 -5.613 -9.217 1.00 10.42 H new ATOM 0 HA2 GLY A 1 10.089 -6.014 -8.066 1.00 10.93 H new ATOM 0 HA3 GLY A 1 10.195 -6.203 -9.805 1.00 10.93 H new ATOM 10 N SER A 2 11.480 -8.046 -7.458 1.00 10.19 N ATOM 11 CA SER A 2 12.677 -8.697 -6.877 1.00 9.73 C ATOM 12 C SER A 2 13.763 -7.634 -6.635 1.00 8.00 C ATOM 13 O SER A 2 13.827 -6.641 -7.365 1.00 7.76 O ATOM 14 CB SER A 2 13.247 -9.860 -7.706 1.00 11.08 C ATOM 15 OG SER A 2 14.222 -10.541 -6.932 1.00 11.60 O ATOM 0 H SER A 2 10.684 -8.010 -6.822 1.00 10.19 H new ATOM 0 HA SER A 2 12.352 -9.150 -5.940 1.00 9.73 H new ATOM 0 HB2 SER A 2 12.449 -10.544 -7.994 1.00 11.08 H new ATOM 0 HB3 SER A 2 13.692 -9.484 -8.627 1.00 11.08 H new ATOM 0 HG SER A 2 15.113 -10.364 -7.299 1.00 11.60 H new ATOM 21 N PHE A 3 14.598 -7.819 -5.604 1.00 7.35 N ATOM 22 CA PHE A 3 15.712 -6.916 -5.257 1.00 6.44 C ATOM 23 C PHE A 3 15.250 -5.489 -4.861 1.00 5.43 C ATOM 24 O PHE A 3 16.065 -4.572 -4.795 1.00 5.81 O ATOM 25 CB PHE A 3 16.747 -6.900 -6.403 1.00 7.35 C ATOM 26 CG PHE A 3 17.026 -8.260 -7.030 1.00 8.45 C ATOM 27 CD1 PHE A 3 17.831 -9.200 -6.359 1.00 9.03 C ATOM 28 CD2 PHE A 3 16.439 -8.600 -8.265 1.00 9.32 C ATOM 29 CE1 PHE A 3 18.056 -10.467 -6.927 1.00 10.27 C ATOM 30 CE2 PHE A 3 16.673 -9.863 -8.838 1.00 10.60 C ATOM 31 CZ PHE A 3 17.481 -10.798 -8.167 1.00 11.00 C ATOM 0 H PHE A 3 14.519 -8.616 -4.973 1.00 7.35 H new ATOM 0 HA PHE A 3 16.188 -7.312 -4.360 1.00 6.44 H new ATOM 0 HB2 PHE A 3 16.396 -6.222 -7.181 1.00 7.35 H new ATOM 0 HB3 PHE A 3 17.683 -6.492 -6.023 1.00 7.35 H new ATOM 0 HD1 PHE A 3 18.276 -8.948 -5.408 1.00 9.03 H new ATOM 0 HD2 PHE A 3 15.807 -7.888 -8.774 1.00 9.32 H new ATOM 0 HE1 PHE A 3 18.672 -11.188 -6.409 1.00 10.27 H new ATOM 0 HE2 PHE A 3 16.233 -10.114 -9.792 1.00 10.60 H new ATOM 0 HZ PHE A 3 17.660 -11.770 -8.604 1.00 11.00 H new ATOM 41 N THR A 4 13.946 -5.317 -4.610 1.00 4.72 N ATOM 42 CA THR A 4 13.220 -4.068 -4.341 1.00 3.86 C ATOM 43 C THR A 4 12.201 -4.341 -3.242 1.00 2.42 C ATOM 44 O THR A 4 11.504 -5.353 -3.288 1.00 2.85 O ATOM 45 CB THR A 4 12.492 -3.588 -5.600 1.00 5.04 C ATOM 46 OG1 THR A 4 11.737 -4.664 -6.118 1.00 5.97 O ATOM 47 CG2 THR A 4 13.467 -3.100 -6.669 1.00 6.46 C ATOM 0 H THR A 4 13.316 -6.119 -4.588 1.00 4.72 H new ATOM 0 HA THR A 4 13.923 -3.294 -4.034 1.00 3.86 H new ATOM 0 HB THR A 4 11.849 -2.750 -5.329 1.00 5.04 H new ATOM 0 HG1 THR A 4 11.490 -5.271 -5.389 1.00 5.97 H new ATOM 0 HG21 THR A 4 12.910 -2.768 -7.545 1.00 6.46 H new ATOM 0 HG22 THR A 4 14.052 -2.269 -6.275 1.00 6.46 H new ATOM 0 HG23 THR A 4 14.135 -3.914 -6.950 1.00 6.46 H new ATOM 55 N GLU A 5 12.141 -3.463 -2.253 1.00 1.61 N ATOM 56 CA GLU A 5 11.694 -3.769 -0.899 1.00 1.20 C ATOM 57 C GLU A 5 10.220 -3.429 -0.610 1.00 0.89 C ATOM 58 O GLU A 5 9.717 -2.364 -0.967 1.00 1.41 O ATOM 59 CB GLU A 5 12.656 -3.105 0.111 1.00 2.55 C ATOM 60 CG GLU A 5 12.783 -1.568 0.099 1.00 4.38 C ATOM 61 CD GLU A 5 13.789 -0.968 -0.900 1.00 5.50 C ATOM 62 OE1 GLU A 5 13.897 -1.436 -2.060 1.00 5.53 O ATOM 63 OE2 GLU A 5 14.430 0.039 -0.540 1.00 6.92 O ATOM 0 H GLU A 5 12.410 -2.486 -2.372 1.00 1.61 H new ATOM 0 HA GLU A 5 11.729 -4.853 -0.789 1.00 1.20 H new ATOM 0 HB2 GLU A 5 12.346 -3.405 1.112 1.00 2.55 H new ATOM 0 HB3 GLU A 5 13.650 -3.522 -0.053 1.00 2.55 H new ATOM 0 HG2 GLU A 5 11.800 -1.146 -0.112 1.00 4.38 H new ATOM 0 HG3 GLU A 5 13.061 -1.241 1.101 1.00 4.38 H new ATOM 70 N GLY A 6 9.531 -4.339 0.088 1.00 1.05 N ATOM 71 CA GLY A 6 8.173 -4.187 0.629 1.00 0.89 C ATOM 72 C GLY A 6 7.767 -5.391 1.487 1.00 0.78 C ATOM 73 O GLY A 6 8.525 -6.356 1.549 1.00 0.99 O ATOM 0 H GLY A 6 9.928 -5.254 0.303 1.00 1.05 H new ATOM 0 HA2 GLY A 6 8.120 -3.278 1.229 1.00 0.89 H new ATOM 0 HA3 GLY A 6 7.465 -4.070 -0.192 1.00 0.89 H new ATOM 77 N TRP A 7 6.589 -5.344 2.122 1.00 0.68 N ATOM 78 CA TRP A 7 6.095 -6.401 3.010 1.00 0.67 C ATOM 79 C TRP A 7 4.595 -6.302 3.336 1.00 0.69 C ATOM 80 O TRP A 7 4.012 -5.213 3.366 1.00 0.75 O ATOM 81 CB TRP A 7 6.921 -6.456 4.301 1.00 0.79 C ATOM 82 CG TRP A 7 6.775 -5.313 5.258 1.00 0.90 C ATOM 83 CD1 TRP A 7 6.080 -5.377 6.412 1.00 1.01 C ATOM 84 CD2 TRP A 7 7.406 -3.993 5.255 1.00 1.00 C ATOM 85 NE1 TRP A 7 6.362 -4.273 7.184 1.00 1.13 N ATOM 86 CE2 TRP A 7 7.102 -3.344 6.488 1.00 1.15 C ATOM 87 CE3 TRP A 7 8.243 -3.290 4.363 1.00 1.07 C ATOM 88 CZ2 TRP A 7 7.582 -2.063 6.807 1.00 1.35 C ATOM 89 CZ3 TRP A 7 8.702 -1.992 4.654 1.00 1.28 C ATOM 90 CH2 TRP A 7 8.371 -1.372 5.871 1.00 1.42 C ATOM 0 H TRP A 7 5.944 -4.559 2.031 1.00 0.68 H new ATOM 0 HA TRP A 7 6.219 -7.330 2.454 1.00 0.67 H new ATOM 0 HB2 TRP A 7 6.661 -7.374 4.829 1.00 0.79 H new ATOM 0 HB3 TRP A 7 7.973 -6.533 4.026 1.00 0.79 H new ATOM 0 HD1 TRP A 7 5.405 -6.173 6.688 1.00 1.01 H new ATOM 0 HE1 TRP A 7 6.060 -4.158 8.151 1.00 1.13 H new ATOM 0 HE3 TRP A 7 8.538 -3.759 3.436 1.00 1.07 H new ATOM 0 HZ2 TRP A 7 7.347 -1.614 7.761 1.00 1.35 H new ATOM 0 HZ3 TRP A 7 9.314 -1.467 3.935 1.00 1.28 H new ATOM 0 HH2 TRP A 7 8.720 -0.373 6.085 1.00 1.42 H new ATOM 101 N VAL A 8 3.985 -7.455 3.629 1.00 0.76 N ATOM 102 CA VAL A 8 2.565 -7.594 3.999 1.00 0.98 C ATOM 103 C VAL A 8 2.469 -8.028 5.459 1.00 1.20 C ATOM 104 O VAL A 8 3.109 -8.993 5.875 1.00 1.37 O ATOM 105 CB VAL A 8 1.842 -8.601 3.078 1.00 1.15 C ATOM 106 CG1 VAL A 8 0.417 -8.922 3.567 1.00 1.45 C ATOM 107 CG2 VAL A 8 1.754 -8.040 1.647 1.00 1.08 C ATOM 0 H VAL A 8 4.478 -8.348 3.616 1.00 0.76 H new ATOM 0 HA VAL A 8 2.070 -6.631 3.874 1.00 0.98 H new ATOM 0 HB VAL A 8 2.427 -9.521 3.096 1.00 1.15 H new ATOM 0 HG11 VAL A 8 -0.049 -9.634 2.886 1.00 1.45 H new ATOM 0 HG12 VAL A 8 0.464 -9.353 4.567 1.00 1.45 H new ATOM 0 HG13 VAL A 8 -0.173 -8.006 3.594 1.00 1.45 H new ATOM 0 HG21 VAL A 8 1.243 -8.758 1.006 1.00 1.08 H new ATOM 0 HG22 VAL A 8 1.198 -7.102 1.657 1.00 1.08 H new ATOM 0 HG23 VAL A 8 2.759 -7.862 1.263 1.00 1.08 H new ATOM 117 N ARG A 9 1.670 -7.295 6.241 1.00 1.27 N ATOM 118 CA ARG A 9 1.684 -7.396 7.698 1.00 1.44 C ATOM 119 C ARG A 9 0.679 -8.430 8.232 1.00 1.69 C ATOM 120 O ARG A 9 -0.534 -8.232 8.148 1.00 2.18 O ATOM 121 CB ARG A 9 1.465 -5.984 8.270 1.00 1.33 C ATOM 122 CG ARG A 9 1.885 -5.875 9.736 1.00 1.58 C ATOM 123 CD ARG A 9 0.790 -6.295 10.723 1.00 2.79 C ATOM 124 NE ARG A 9 0.154 -5.133 11.339 1.00 2.79 N ATOM 125 CZ ARG A 9 -1.096 -4.975 11.730 1.00 3.78 C ATOM 126 NH1 ARG A 9 -2.038 -5.842 11.434 1.00 4.78 N ATOM 127 NH2 ARG A 9 -1.396 -3.917 12.449 1.00 4.42 N ATOM 0 H ARG A 9 0.998 -6.618 5.880 1.00 1.27 H new ATOM 0 HA ARG A 9 2.651 -7.773 8.032 1.00 1.44 H new ATOM 0 HB2 ARG A 9 2.031 -5.264 7.679 1.00 1.33 H new ATOM 0 HB3 ARG A 9 0.413 -5.717 8.176 1.00 1.33 H new ATOM 0 HG2 ARG A 9 2.766 -6.495 9.899 1.00 1.58 H new ATOM 0 HG3 ARG A 9 2.176 -4.846 9.946 1.00 1.58 H new ATOM 0 HD2 ARG A 9 0.039 -6.890 10.204 1.00 2.79 H new ATOM 0 HD3 ARG A 9 1.220 -6.930 11.498 1.00 2.79 H new ATOM 0 HE ARG A 9 0.764 -4.329 11.488 1.00 2.79 H new ATOM 0 HH11 ARG A 9 -1.813 -6.671 10.884 1.00 4.78 H new ATOM 0 HH12 ARG A 9 -2.994 -5.686 11.754 1.00 4.78 H new ATOM 0 HH21 ARG A 9 -0.670 -3.243 12.691 1.00 4.42 H new ATOM 0 HH22 ARG A 9 -2.355 -3.770 12.765 1.00 4.42 H new ATOM 141 N PHE A 10 1.172 -9.474 8.903 1.00 1.71 N ATOM 142 CA PHE A 10 0.420 -10.461 9.689 1.00 1.92 C ATOM 143 C PHE A 10 -0.287 -9.868 10.921 1.00 1.88 C ATOM 144 O PHE A 10 0.276 -9.063 11.661 1.00 2.00 O ATOM 145 CB PHE A 10 1.427 -11.531 10.157 1.00 2.22 C ATOM 146 CG PHE A 10 0.923 -12.580 11.143 1.00 2.66 C ATOM 147 CD1 PHE A 10 -0.372 -13.132 11.044 1.00 4.27 C ATOM 148 CD2 PHE A 10 1.764 -12.992 12.195 1.00 2.27 C ATOM 149 CE1 PHE A 10 -0.839 -14.035 12.014 1.00 4.64 C ATOM 150 CE2 PHE A 10 1.310 -13.920 13.148 1.00 2.64 C ATOM 151 CZ PHE A 10 0.004 -14.434 13.065 1.00 3.51 C ATOM 0 H PHE A 10 2.174 -9.667 8.914 1.00 1.71 H new ATOM 0 HA PHE A 10 -0.368 -10.867 9.054 1.00 1.92 H new ATOM 0 HB2 PHE A 10 1.803 -12.050 9.275 1.00 2.22 H new ATOM 0 HB3 PHE A 10 2.276 -11.020 10.612 1.00 2.22 H new ATOM 0 HD1 PHE A 10 -1.009 -12.858 10.216 1.00 4.27 H new ATOM 0 HD2 PHE A 10 2.764 -12.592 12.270 1.00 2.27 H new ATOM 0 HE1 PHE A 10 -1.845 -14.422 11.952 1.00 4.64 H new ATOM 0 HE2 PHE A 10 1.965 -14.239 13.945 1.00 2.64 H new ATOM 0 HZ PHE A 10 -0.350 -15.134 13.807 1.00 3.51 H new ATOM 161 N SER A 11 -1.493 -10.337 11.238 1.00 1.88 N ATOM 162 CA SER A 11 -2.103 -10.236 12.561 1.00 1.95 C ATOM 163 C SER A 11 -3.219 -11.284 12.749 1.00 2.03 C ATOM 164 O SER A 11 -3.624 -11.911 11.766 1.00 2.23 O ATOM 165 CB SER A 11 -2.634 -8.815 12.743 1.00 2.04 C ATOM 166 OG SER A 11 -1.622 -8.021 13.339 1.00 2.23 O ATOM 0 H SER A 11 -2.090 -10.812 10.560 1.00 1.88 H new ATOM 0 HA SER A 11 -1.353 -10.444 13.324 1.00 1.95 H new ATOM 0 HB2 SER A 11 -2.925 -8.395 11.780 1.00 2.04 H new ATOM 0 HB3 SER A 11 -3.526 -8.823 13.370 1.00 2.04 H new ATOM 0 HG SER A 11 -0.761 -8.215 12.913 1.00 2.23 H new ATOM 172 N PRO A 12 -3.702 -11.488 13.994 1.00 2.04 N ATOM 173 CA PRO A 12 -4.933 -12.219 14.286 1.00 2.17 C ATOM 174 C PRO A 12 -6.178 -11.313 14.249 1.00 2.10 C ATOM 175 O PRO A 12 -7.295 -11.821 14.200 1.00 3.15 O ATOM 176 CB PRO A 12 -4.709 -12.780 15.695 1.00 2.38 C ATOM 177 CG PRO A 12 -3.891 -11.680 16.372 1.00 2.28 C ATOM 178 CD PRO A 12 -3.016 -11.143 15.237 1.00 2.09 C ATOM 0 HA PRO A 12 -5.126 -12.992 13.542 1.00 2.17 H new ATOM 0 HB2 PRO A 12 -5.651 -12.960 16.213 1.00 2.38 H new ATOM 0 HB3 PRO A 12 -4.171 -13.728 15.672 1.00 2.38 H new ATOM 0 HG2 PRO A 12 -4.530 -10.902 16.789 1.00 2.28 H new ATOM 0 HG3 PRO A 12 -3.290 -12.073 17.192 1.00 2.28 H new ATOM 0 HD2 PRO A 12 -2.886 -10.064 15.323 1.00 2.09 H new ATOM 0 HD3 PRO A 12 -2.021 -11.588 15.269 1.00 2.09 H new ATOM 186 N GLY A 13 -6.010 -9.982 14.287 1.00 1.36 N ATOM 187 CA GLY A 13 -7.114 -9.023 14.182 1.00 1.27 C ATOM 188 C GLY A 13 -7.577 -8.832 12.726 1.00 1.03 C ATOM 189 O GLY A 13 -6.775 -9.015 11.810 1.00 1.30 O ATOM 0 H GLY A 13 -5.096 -9.541 14.392 1.00 1.36 H new ATOM 0 HA2 GLY A 13 -7.953 -9.368 14.787 1.00 1.27 H new ATOM 0 HA3 GLY A 13 -6.800 -8.063 14.591 1.00 1.27 H new ATOM 193 N PRO A 14 -8.842 -8.418 12.500 1.00 1.13 N ATOM 194 CA PRO A 14 -9.445 -8.310 11.169 1.00 1.29 C ATOM 195 C PRO A 14 -8.899 -7.155 10.318 1.00 0.96 C ATOM 196 O PRO A 14 -9.221 -7.104 9.131 1.00 1.19 O ATOM 197 CB PRO A 14 -10.948 -8.147 11.426 1.00 1.77 C ATOM 198 CG PRO A 14 -10.995 -7.444 12.780 1.00 1.80 C ATOM 199 CD PRO A 14 -9.822 -8.080 13.523 1.00 1.58 C ATOM 0 HA PRO A 14 -9.205 -9.196 10.581 1.00 1.29 H new ATOM 0 HB2 PRO A 14 -11.428 -7.554 10.647 1.00 1.77 H new ATOM 0 HB3 PRO A 14 -11.459 -9.110 11.454 1.00 1.77 H new ATOM 0 HG2 PRO A 14 -10.876 -6.365 12.681 1.00 1.80 H new ATOM 0 HG3 PRO A 14 -11.941 -7.615 13.293 1.00 1.80 H new ATOM 0 HD2 PRO A 14 -9.402 -7.390 14.254 1.00 1.58 H new ATOM 0 HD3 PRO A 14 -10.140 -8.968 14.069 1.00 1.58 H new ATOM 207 N ASN A 15 -8.082 -6.259 10.893 1.00 0.63 N ATOM 208 CA ASN A 15 -7.397 -5.172 10.188 1.00 0.58 C ATOM 209 C ASN A 15 -5.872 -5.405 10.125 1.00 0.55 C ATOM 210 O ASN A 15 -5.240 -5.868 11.084 1.00 0.75 O ATOM 211 CB ASN A 15 -7.643 -3.811 10.866 1.00 1.06 C ATOM 212 CG ASN A 15 -9.102 -3.361 10.972 1.00 1.68 C ATOM 213 OD1 ASN A 15 -9.993 -4.101 11.358 1.00 3.05 O ATOM 214 ND2 ASN A 15 -9.393 -2.110 10.668 1.00 2.14 N ATOM 0 H ASN A 15 -7.876 -6.274 11.892 1.00 0.63 H new ATOM 0 HA ASN A 15 -7.810 -5.162 9.179 1.00 0.58 H new ATOM 0 HB2 ASN A 15 -7.222 -3.848 11.871 1.00 1.06 H new ATOM 0 HB3 ASN A 15 -7.089 -3.050 10.317 1.00 1.06 H new ATOM 0 HD21 ASN A 15 -10.352 -1.773 10.757 1.00 2.14 H new ATOM 0 HD22 ASN A 15 -8.659 -1.480 10.344 1.00 2.14 H new ATOM 221 N ALA A 16 -5.254 -4.953 9.035 1.00 0.56 N ATOM 222 CA ALA A 16 -3.819 -5.029 8.765 1.00 0.81 C ATOM 223 C ALA A 16 -3.339 -3.959 7.778 1.00 0.62 C ATOM 224 O ALA A 16 -4.110 -3.087 7.383 1.00 0.57 O ATOM 225 CB ALA A 16 -3.462 -6.462 8.336 1.00 1.25 C ATOM 0 H ALA A 16 -5.767 -4.501 8.278 1.00 0.56 H new ATOM 0 HA ALA A 16 -3.277 -4.803 9.683 1.00 0.81 H new ATOM 0 HB1 ALA A 16 -2.393 -6.525 8.133 1.00 1.25 H new ATOM 0 HB2 ALA A 16 -3.721 -7.156 9.135 1.00 1.25 H new ATOM 0 HB3 ALA A 16 -4.018 -6.721 7.435 1.00 1.25 H new ATOM 231 N ALA A 17 -2.054 -4.014 7.417 1.00 0.99 N ATOM 232 CA ALA A 17 -1.387 -3.017 6.593 1.00 0.87 C ATOM 233 C ALA A 17 -0.481 -3.665 5.532 1.00 0.85 C ATOM 234 O ALA A 17 0.028 -4.774 5.733 1.00 1.14 O ATOM 235 CB ALA A 17 -0.578 -2.104 7.518 1.00 1.07 C ATOM 0 H ALA A 17 -1.437 -4.776 7.700 1.00 0.99 H new ATOM 0 HA ALA A 17 -2.134 -2.439 6.048 1.00 0.87 H new ATOM 0 HB1 ALA A 17 -0.067 -1.346 6.925 1.00 1.07 H new ATOM 0 HB2 ALA A 17 -1.248 -1.619 8.227 1.00 1.07 H new ATOM 0 HB3 ALA A 17 0.158 -2.697 8.061 1.00 1.07 H new ATOM 241 N ALA A 18 -0.237 -2.950 4.433 1.00 0.78 N ATOM 242 CA ALA A 18 0.813 -3.300 3.478 1.00 0.82 C ATOM 243 C ALA A 18 1.578 -2.060 2.999 1.00 0.73 C ATOM 244 O ALA A 18 1.037 -0.956 2.882 1.00 0.79 O ATOM 245 CB ALA A 18 0.226 -4.102 2.309 1.00 0.95 C ATOM 0 H ALA A 18 -0.762 -2.113 4.181 1.00 0.78 H new ATOM 0 HA ALA A 18 1.540 -3.934 3.986 1.00 0.82 H new ATOM 0 HB1 ALA A 18 1.020 -4.355 1.606 1.00 0.95 H new ATOM 0 HB2 ALA A 18 -0.229 -5.017 2.688 1.00 0.95 H new ATOM 0 HB3 ALA A 18 -0.531 -3.504 1.801 1.00 0.95 H new ATOM 251 N TYR A 19 2.863 -2.281 2.718 1.00 0.73 N ATOM 252 CA TYR A 19 3.849 -1.270 2.342 1.00 0.78 C ATOM 253 C TYR A 19 4.743 -1.841 1.238 1.00 0.90 C ATOM 254 O TYR A 19 5.058 -3.031 1.247 1.00 1.07 O ATOM 255 CB TYR A 19 4.728 -0.882 3.547 1.00 0.78 C ATOM 256 CG TYR A 19 4.061 -0.933 4.907 1.00 0.68 C ATOM 257 CD1 TYR A 19 4.088 -2.135 5.639 1.00 1.67 C ATOM 258 CD2 TYR A 19 3.413 0.198 5.440 1.00 1.90 C ATOM 259 CE1 TYR A 19 3.502 -2.208 6.913 1.00 1.70 C ATOM 260 CE2 TYR A 19 2.815 0.133 6.715 1.00 1.90 C ATOM 261 CZ TYR A 19 2.878 -1.069 7.463 1.00 0.75 C ATOM 262 OH TYR A 19 2.331 -1.144 8.707 1.00 0.94 O ATOM 0 H TYR A 19 3.263 -3.219 2.748 1.00 0.73 H new ATOM 0 HA TYR A 19 3.324 -0.380 1.994 1.00 0.78 H new ATOM 0 HB2 TYR A 19 5.595 -1.543 3.566 1.00 0.78 H new ATOM 0 HB3 TYR A 19 5.102 0.129 3.387 1.00 0.78 H new ATOM 0 HD1 TYR A 19 4.563 -3.008 5.217 1.00 1.67 H new ATOM 0 HD2 TYR A 19 3.374 1.116 4.872 1.00 1.90 H new ATOM 0 HE1 TYR A 19 3.529 -3.133 7.470 1.00 1.70 H new ATOM 0 HE2 TYR A 19 2.310 0.997 7.121 1.00 1.90 H new ATOM 0 HH TYR A 19 1.940 -0.277 8.945 1.00 0.94 H new ATOM 272 N LEU A 20 5.205 -0.998 0.310 1.00 0.86 N ATOM 273 CA LEU A 20 6.065 -1.419 -0.797 1.00 0.94 C ATOM 274 C LEU A 20 6.763 -0.253 -1.482 1.00 0.94 C ATOM 275 O LEU A 20 6.232 0.856 -1.550 1.00 0.88 O ATOM 276 CB LEU A 20 5.306 -2.293 -1.829 1.00 0.98 C ATOM 277 CG LEU A 20 4.345 -1.560 -2.797 1.00 1.13 C ATOM 278 CD1 LEU A 20 3.904 -2.522 -3.905 1.00 1.18 C ATOM 279 CD2 LEU A 20 3.097 -0.999 -2.098 1.00 1.73 C ATOM 0 H LEU A 20 4.991 -0.001 0.306 1.00 0.86 H new ATOM 0 HA LEU A 20 6.842 -2.035 -0.345 1.00 0.94 H new ATOM 0 HB2 LEU A 20 6.043 -2.830 -2.425 1.00 0.98 H new ATOM 0 HB3 LEU A 20 4.731 -3.041 -1.283 1.00 0.98 H new ATOM 0 HG LEU A 20 4.896 -0.714 -3.207 1.00 1.13 H new ATOM 0 HD11 LEU A 20 3.227 -2.006 -4.587 1.00 1.18 H new ATOM 0 HD12 LEU A 20 4.779 -2.869 -4.455 1.00 1.18 H new ATOM 0 HD13 LEU A 20 3.392 -3.376 -3.463 1.00 1.18 H new ATOM 0 HD21 LEU A 20 2.464 -0.497 -2.830 1.00 1.73 H new ATOM 0 HD22 LEU A 20 2.541 -1.815 -1.636 1.00 1.73 H new ATOM 0 HD23 LEU A 20 3.399 -0.286 -1.331 1.00 1.73 H new ATOM 291 N THR A 21 7.909 -0.561 -2.079 1.00 1.05 N ATOM 292 CA THR A 21 8.550 0.211 -3.135 1.00 1.00 C ATOM 293 C THR A 21 7.747 0.026 -4.416 1.00 0.99 C ATOM 294 O THR A 21 7.738 -1.048 -5.010 1.00 1.16 O ATOM 295 CB THR A 21 10.001 -0.241 -3.289 1.00 1.06 C ATOM 296 OG1 THR A 21 10.639 0.034 -2.070 1.00 1.23 O ATOM 297 CG2 THR A 21 10.734 0.540 -4.372 1.00 1.24 C ATOM 0 H THR A 21 8.440 -1.395 -1.828 1.00 1.05 H new ATOM 0 HA THR A 21 8.569 1.273 -2.892 1.00 1.00 H new ATOM 0 HB THR A 21 10.016 -1.296 -3.561 1.00 1.06 H new ATOM 0 HG1 THR A 21 10.356 -0.621 -1.398 1.00 1.23 H new ATOM 0 HG21 THR A 21 11.762 0.184 -4.445 1.00 1.24 H new ATOM 0 HG22 THR A 21 10.231 0.396 -5.328 1.00 1.24 H new ATOM 0 HG23 THR A 21 10.735 1.600 -4.119 1.00 1.24 H new ATOM 305 N LEU A 22 7.076 1.087 -4.852 1.00 1.09 N ATOM 306 CA LEU A 22 6.469 1.195 -6.168 1.00 1.23 C ATOM 307 C LEU A 22 7.565 1.656 -7.135 1.00 0.91 C ATOM 308 O LEU A 22 8.250 2.652 -6.881 1.00 0.93 O ATOM 309 CB LEU A 22 5.293 2.191 -6.083 1.00 1.71 C ATOM 310 CG LEU A 22 4.115 1.972 -7.046 1.00 1.97 C ATOM 311 CD1 LEU A 22 4.586 1.894 -8.498 1.00 2.14 C ATOM 312 CD2 LEU A 22 3.307 0.721 -6.667 1.00 2.55 C ATOM 0 H LEU A 22 6.937 1.920 -4.279 1.00 1.09 H new ATOM 0 HA LEU A 22 6.066 0.248 -6.526 1.00 1.23 H new ATOM 0 HB2 LEU A 22 4.905 2.169 -5.065 1.00 1.71 H new ATOM 0 HB3 LEU A 22 5.686 3.193 -6.253 1.00 1.71 H new ATOM 0 HG LEU A 22 3.458 2.837 -6.954 1.00 1.97 H new ATOM 0 HD11 LEU A 22 3.727 1.739 -9.151 1.00 2.14 H new ATOM 0 HD12 LEU A 22 5.085 2.825 -8.769 1.00 2.14 H new ATOM 0 HD13 LEU A 22 5.282 1.063 -8.610 1.00 2.14 H new ATOM 0 HD21 LEU A 22 2.482 0.595 -7.368 1.00 2.55 H new ATOM 0 HD22 LEU A 22 3.954 -0.156 -6.707 1.00 2.55 H new ATOM 0 HD23 LEU A 22 2.912 0.835 -5.658 1.00 2.55 H new ATOM 324 N GLU A 23 7.722 0.921 -8.229 1.00 0.90 N ATOM 325 CA GLU A 23 8.718 1.143 -9.275 1.00 0.99 C ATOM 326 C GLU A 23 8.036 1.297 -10.645 1.00 0.89 C ATOM 327 O GLU A 23 7.429 0.363 -11.166 1.00 1.00 O ATOM 328 CB GLU A 23 9.764 0.001 -9.241 1.00 1.57 C ATOM 329 CG GLU A 23 9.193 -1.414 -9.467 1.00 1.92 C ATOM 330 CD GLU A 23 10.171 -2.533 -9.126 1.00 2.80 C ATOM 331 OE1 GLU A 23 11.297 -2.569 -9.665 1.00 2.63 O ATOM 332 OE2 GLU A 23 9.791 -3.457 -8.376 1.00 4.41 O ATOM 0 H GLU A 23 7.130 0.113 -8.422 1.00 0.90 H new ATOM 0 HA GLU A 23 9.250 2.077 -9.094 1.00 0.99 H new ATOM 0 HB2 GLU A 23 10.519 0.198 -10.002 1.00 1.57 H new ATOM 0 HB3 GLU A 23 10.271 0.022 -8.276 1.00 1.57 H new ATOM 0 HG2 GLU A 23 8.293 -1.534 -8.863 1.00 1.92 H new ATOM 0 HG3 GLU A 23 8.892 -1.512 -10.510 1.00 1.92 H new ATOM 339 N ASN A 24 8.128 2.484 -11.250 1.00 0.86 N ATOM 340 CA ASN A 24 7.710 2.702 -12.634 1.00 0.84 C ATOM 341 C ASN A 24 8.933 2.761 -13.569 1.00 0.88 C ATOM 342 O ASN A 24 9.605 3.791 -13.609 1.00 0.92 O ATOM 343 CB ASN A 24 6.882 3.990 -12.754 1.00 0.84 C ATOM 344 CG ASN A 24 6.277 4.128 -14.146 1.00 0.83 C ATOM 345 OD1 ASN A 24 6.231 3.187 -14.931 1.00 0.89 O ATOM 346 ND2 ASN A 24 5.778 5.302 -14.465 1.00 0.85 N ATOM 0 H ASN A 24 8.494 3.319 -10.793 1.00 0.86 H new ATOM 0 HA ASN A 24 7.085 1.861 -12.936 1.00 0.84 H new ATOM 0 HB2 ASN A 24 6.087 3.986 -12.008 1.00 0.84 H new ATOM 0 HB3 ASN A 24 7.514 4.853 -12.542 1.00 0.84 H new ATOM 0 HD21 ASN A 24 5.344 5.441 -15.378 1.00 0.85 H new ATOM 0 HD22 ASN A 24 5.825 6.074 -13.800 1.00 0.85 H new ATOM 353 N PRO A 25 9.230 1.705 -14.347 1.00 0.91 N ATOM 354 CA PRO A 25 10.271 1.742 -15.373 1.00 0.96 C ATOM 355 C PRO A 25 9.798 2.370 -16.695 1.00 0.96 C ATOM 356 O PRO A 25 10.621 2.590 -17.583 1.00 1.00 O ATOM 357 CB PRO A 25 10.661 0.273 -15.567 1.00 1.07 C ATOM 358 CG PRO A 25 9.340 -0.461 -15.326 1.00 1.08 C ATOM 359 CD PRO A 25 8.690 0.357 -14.214 1.00 0.99 C ATOM 0 HA PRO A 25 11.106 2.370 -15.063 1.00 0.96 H new ATOM 0 HB2 PRO A 25 11.051 0.086 -16.568 1.00 1.07 H new ATOM 0 HB3 PRO A 25 11.431 -0.038 -14.861 1.00 1.07 H new ATOM 0 HG2 PRO A 25 8.722 -0.485 -16.224 1.00 1.08 H new ATOM 0 HG3 PRO A 25 9.503 -1.496 -15.024 1.00 1.08 H new ATOM 0 HD2 PRO A 25 7.604 0.359 -14.313 1.00 0.99 H new ATOM 0 HD3 PRO A 25 8.920 -0.062 -13.234 1.00 0.99 H new ATOM 367 N GLY A 26 8.500 2.662 -16.850 1.00 0.95 N ATOM 368 CA GLY A 26 7.926 3.202 -18.083 1.00 0.99 C ATOM 369 C GLY A 26 8.198 4.690 -18.286 1.00 0.95 C ATOM 370 O GLY A 26 8.710 5.381 -17.407 1.00 0.97 O ATOM 0 H GLY A 26 7.812 2.527 -16.110 1.00 0.95 H new ATOM 0 HA2 GLY A 26 8.327 2.649 -18.933 1.00 0.99 H new ATOM 0 HA3 GLY A 26 6.849 3.036 -18.075 1.00 0.99 H new ATOM 374 N ASP A 27 7.848 5.162 -19.481 1.00 0.96 N ATOM 375 CA ASP A 27 8.009 6.547 -19.954 1.00 0.97 C ATOM 376 C ASP A 27 6.698 7.358 -19.904 1.00 0.96 C ATOM 377 O ASP A 27 6.683 8.549 -20.198 1.00 1.03 O ATOM 378 CB ASP A 27 8.617 6.508 -21.364 1.00 1.07 C ATOM 379 CG ASP A 27 10.016 5.903 -21.288 1.00 1.56 C ATOM 380 OD1 ASP A 27 10.969 6.643 -20.963 1.00 2.70 O ATOM 381 OD2 ASP A 27 10.139 4.658 -21.324 1.00 2.14 O ATOM 0 H ASP A 27 7.422 4.562 -20.187 1.00 0.96 H new ATOM 0 HA ASP A 27 8.683 7.074 -19.279 1.00 0.97 H new ATOM 0 HB2 ASP A 27 7.987 5.917 -22.029 1.00 1.07 H new ATOM 0 HB3 ASP A 27 8.664 7.514 -21.781 1.00 1.07 H new ATOM 386 N LEU A 28 5.609 6.725 -19.448 1.00 0.93 N ATOM 387 CA LEU A 28 4.346 7.360 -19.075 1.00 0.97 C ATOM 388 C LEU A 28 4.081 7.188 -17.560 1.00 0.89 C ATOM 389 O LEU A 28 4.667 6.288 -16.945 1.00 0.84 O ATOM 390 CB LEU A 28 3.244 6.830 -20.016 1.00 1.09 C ATOM 391 CG LEU A 28 2.856 5.339 -19.897 1.00 1.28 C ATOM 392 CD1 LEU A 28 1.949 5.059 -18.686 1.00 1.86 C ATOM 393 CD2 LEU A 28 2.106 4.920 -21.170 1.00 1.39 C ATOM 0 H LEU A 28 5.587 5.713 -19.325 1.00 0.93 H new ATOM 0 HA LEU A 28 4.372 8.441 -19.214 1.00 0.97 H new ATOM 0 HB2 LEU A 28 2.346 7.425 -19.850 1.00 1.09 H new ATOM 0 HB3 LEU A 28 3.562 7.013 -21.042 1.00 1.09 H new ATOM 0 HG LEU A 28 3.777 4.771 -19.765 1.00 1.28 H new ATOM 0 HD11 LEU A 28 1.707 3.997 -18.650 1.00 1.86 H new ATOM 0 HD12 LEU A 28 2.467 5.344 -17.770 1.00 1.86 H new ATOM 0 HD13 LEU A 28 1.030 5.638 -18.778 1.00 1.86 H new ATOM 0 HD21 LEU A 28 1.827 3.869 -21.098 1.00 1.39 H new ATOM 0 HD22 LEU A 28 1.208 5.528 -21.280 1.00 1.39 H new ATOM 0 HD23 LEU A 28 2.751 5.066 -22.037 1.00 1.39 H new ATOM 405 N PRO A 29 3.230 8.026 -16.934 1.00 0.93 N ATOM 406 CA PRO A 29 3.035 8.028 -15.488 1.00 0.89 C ATOM 407 C PRO A 29 2.065 6.913 -15.057 1.00 0.86 C ATOM 408 O PRO A 29 1.180 6.517 -15.816 1.00 0.94 O ATOM 409 CB PRO A 29 2.465 9.411 -15.162 1.00 0.97 C ATOM 410 CG PRO A 29 1.668 9.766 -16.417 1.00 1.06 C ATOM 411 CD PRO A 29 2.431 9.075 -17.552 1.00 1.04 C ATOM 0 HA PRO A 29 3.966 7.838 -14.954 1.00 0.89 H new ATOM 0 HB2 PRO A 29 1.831 9.386 -14.276 1.00 0.97 H new ATOM 0 HB3 PRO A 29 3.255 10.137 -14.968 1.00 0.97 H new ATOM 0 HG2 PRO A 29 0.641 9.408 -16.351 1.00 1.06 H new ATOM 0 HG3 PRO A 29 1.621 10.845 -16.567 1.00 1.06 H new ATOM 0 HD2 PRO A 29 1.741 8.656 -18.285 1.00 1.04 H new ATOM 0 HD3 PRO A 29 3.066 9.785 -18.081 1.00 1.04 H new ATOM 419 N LEU A 30 2.184 6.448 -13.807 1.00 0.80 N ATOM 420 CA LEU A 30 1.231 5.529 -13.173 1.00 0.80 C ATOM 421 C LEU A 30 0.311 6.285 -12.229 1.00 0.77 C ATOM 422 O LEU A 30 0.733 7.230 -11.572 1.00 0.93 O ATOM 423 CB LEU A 30 1.931 4.435 -12.369 1.00 0.95 C ATOM 424 CG LEU A 30 2.872 3.590 -13.219 1.00 1.12 C ATOM 425 CD1 LEU A 30 3.496 2.529 -12.322 1.00 2.33 C ATOM 426 CD2 LEU A 30 2.249 2.912 -14.444 1.00 1.47 C ATOM 0 H LEU A 30 2.960 6.705 -13.197 1.00 0.80 H new ATOM 0 HA LEU A 30 0.664 5.069 -13.982 1.00 0.80 H new ATOM 0 HB2 LEU A 30 2.495 4.892 -11.556 1.00 0.95 H new ATOM 0 HB3 LEU A 30 1.181 3.789 -11.913 1.00 0.95 H new ATOM 0 HG LEU A 30 3.603 4.285 -13.632 1.00 1.12 H new ATOM 0 HD11 LEU A 30 4.175 1.910 -12.909 1.00 2.33 H new ATOM 0 HD12 LEU A 30 4.050 3.013 -11.517 1.00 2.33 H new ATOM 0 HD13 LEU A 30 2.711 1.904 -11.897 1.00 2.33 H new ATOM 0 HD21 LEU A 30 3.013 2.339 -14.971 1.00 1.47 H new ATOM 0 HD22 LEU A 30 1.451 2.243 -14.123 1.00 1.47 H new ATOM 0 HD23 LEU A 30 1.840 3.671 -15.111 1.00 1.47 H new ATOM 438 N ARG A 31 -0.903 5.770 -12.072 1.00 0.75 N ATOM 439 CA ARG A 31 -1.889 6.241 -11.082 1.00 0.75 C ATOM 440 C ARG A 31 -2.499 5.038 -10.360 1.00 0.76 C ATOM 441 O ARG A 31 -3.278 4.294 -10.949 1.00 0.81 O ATOM 442 CB ARG A 31 -2.928 7.161 -11.751 1.00 0.77 C ATOM 443 CG ARG A 31 -3.845 7.879 -10.739 1.00 0.85 C ATOM 444 CD ARG A 31 -4.603 9.081 -11.330 1.00 0.87 C ATOM 445 NE ARG A 31 -3.742 10.270 -11.533 1.00 1.79 N ATOM 446 CZ ARG A 31 -3.684 11.089 -12.578 1.00 1.89 C ATOM 447 NH1 ARG A 31 -4.414 10.913 -13.662 1.00 1.72 N ATOM 448 NH2 ARG A 31 -2.865 12.112 -12.538 1.00 3.11 N ATOM 0 H ARG A 31 -1.246 4.994 -12.639 1.00 0.75 H new ATOM 0 HA ARG A 31 -1.403 6.852 -10.321 1.00 0.75 H new ATOM 0 HB2 ARG A 31 -2.409 7.906 -12.354 1.00 0.77 H new ATOM 0 HB3 ARG A 31 -3.541 6.571 -12.432 1.00 0.77 H new ATOM 0 HG2 ARG A 31 -4.567 7.163 -10.346 1.00 0.85 H new ATOM 0 HG3 ARG A 31 -3.244 8.220 -9.896 1.00 0.85 H new ATOM 0 HD2 ARG A 31 -5.043 8.792 -12.284 1.00 0.87 H new ATOM 0 HD3 ARG A 31 -5.426 9.345 -10.666 1.00 0.87 H new ATOM 0 HE ARG A 31 -3.107 10.490 -10.766 1.00 1.79 H new ATOM 0 HH11 ARG A 31 -5.056 10.123 -13.722 1.00 1.72 H new ATOM 0 HH12 ARG A 31 -4.337 11.567 -14.441 1.00 1.72 H new ATOM 0 HH21 ARG A 31 -2.285 12.269 -11.714 1.00 3.11 H new ATOM 0 HH22 ARG A 31 -2.808 12.751 -13.331 1.00 3.11 H new ATOM 462 N LEU A 32 -2.054 4.794 -9.127 1.00 0.72 N ATOM 463 CA LEU A 32 -2.359 3.635 -8.285 1.00 0.70 C ATOM 464 C LEU A 32 -3.686 3.883 -7.557 1.00 0.67 C ATOM 465 O LEU A 32 -3.731 4.657 -6.608 1.00 0.78 O ATOM 466 CB LEU A 32 -1.169 3.448 -7.316 1.00 0.74 C ATOM 467 CG LEU A 32 -1.307 2.310 -6.283 1.00 0.72 C ATOM 468 CD1 LEU A 32 -1.294 0.924 -6.943 1.00 0.75 C ATOM 469 CD2 LEU A 32 -0.151 2.406 -5.275 1.00 0.83 C ATOM 0 H LEU A 32 -1.427 5.446 -8.657 1.00 0.72 H new ATOM 0 HA LEU A 32 -2.483 2.720 -8.864 1.00 0.70 H new ATOM 0 HB2 LEU A 32 -0.271 3.268 -7.907 1.00 0.74 H new ATOM 0 HB3 LEU A 32 -1.015 4.383 -6.778 1.00 0.74 H new ATOM 0 HG LEU A 32 -2.268 2.426 -5.782 1.00 0.72 H new ATOM 0 HD11 LEU A 32 -1.394 0.155 -6.177 1.00 0.75 H new ATOM 0 HD12 LEU A 32 -2.125 0.847 -7.644 1.00 0.75 H new ATOM 0 HD13 LEU A 32 -0.354 0.784 -7.477 1.00 0.75 H new ATOM 0 HD21 LEU A 32 -0.241 1.605 -4.541 1.00 0.83 H new ATOM 0 HD22 LEU A 32 0.799 2.311 -5.801 1.00 0.83 H new ATOM 0 HD23 LEU A 32 -0.190 3.370 -4.767 1.00 0.83 H new ATOM 481 N VAL A 33 -4.761 3.233 -7.996 1.00 0.58 N ATOM 482 CA VAL A 33 -6.135 3.474 -7.505 1.00 0.58 C ATOM 483 C VAL A 33 -6.566 2.480 -6.412 1.00 0.60 C ATOM 484 O VAL A 33 -7.576 2.681 -5.743 1.00 0.63 O ATOM 485 CB VAL A 33 -7.162 3.489 -8.666 1.00 0.59 C ATOM 486 CG1 VAL A 33 -6.811 4.573 -9.701 1.00 0.59 C ATOM 487 CG2 VAL A 33 -7.291 2.145 -9.407 1.00 0.63 C ATOM 0 H VAL A 33 -4.712 2.511 -8.714 1.00 0.58 H new ATOM 0 HA VAL A 33 -6.118 4.463 -7.046 1.00 0.58 H new ATOM 0 HB VAL A 33 -8.118 3.700 -8.187 1.00 0.59 H new ATOM 0 HG11 VAL A 33 -7.548 4.561 -10.504 1.00 0.59 H new ATOM 0 HG12 VAL A 33 -6.815 5.551 -9.219 1.00 0.59 H new ATOM 0 HG13 VAL A 33 -5.821 4.376 -10.113 1.00 0.59 H new ATOM 0 HG21 VAL A 33 -8.029 2.238 -10.204 1.00 0.63 H new ATOM 0 HG22 VAL A 33 -6.327 1.871 -9.835 1.00 0.63 H new ATOM 0 HG23 VAL A 33 -7.609 1.373 -8.707 1.00 0.63 H new ATOM 497 N GLY A 34 -5.801 1.396 -6.231 1.00 0.60 N ATOM 498 CA GLY A 34 -6.081 0.339 -5.261 1.00 0.57 C ATOM 499 C GLY A 34 -5.075 -0.800 -5.361 1.00 0.57 C ATOM 500 O GLY A 34 -4.072 -0.692 -6.065 1.00 0.57 O ATOM 0 H GLY A 34 -4.951 1.229 -6.770 1.00 0.60 H new ATOM 0 HA2 GLY A 34 -6.060 0.755 -4.254 1.00 0.57 H new ATOM 0 HA3 GLY A 34 -7.086 -0.048 -5.425 1.00 0.57 H new ATOM 504 N ALA A 35 -5.349 -1.911 -4.686 1.00 0.62 N ATOM 505 CA ALA A 35 -4.564 -3.141 -4.778 1.00 0.69 C ATOM 506 C ALA A 35 -5.385 -4.369 -4.341 1.00 0.81 C ATOM 507 O ALA A 35 -6.548 -4.195 -3.989 1.00 0.88 O ATOM 508 CB ALA A 35 -3.273 -2.978 -3.981 1.00 0.88 C ATOM 0 H ALA A 35 -6.139 -1.985 -4.046 1.00 0.62 H new ATOM 0 HA ALA A 35 -4.296 -3.322 -5.819 1.00 0.69 H new ATOM 0 HB1 ALA A 35 -2.686 -3.894 -4.048 1.00 0.88 H new ATOM 0 HB2 ALA A 35 -2.697 -2.147 -4.388 1.00 0.88 H new ATOM 0 HB3 ALA A 35 -3.513 -2.776 -2.937 1.00 0.88 H new ATOM 514 N ARG A 36 -4.849 -5.598 -4.317 1.00 0.92 N ATOM 515 CA ARG A 36 -5.645 -6.791 -3.989 1.00 0.94 C ATOM 516 C ARG A 36 -4.720 -7.891 -3.526 1.00 0.98 C ATOM 517 O ARG A 36 -3.607 -7.958 -4.009 1.00 1.19 O ATOM 518 CB ARG A 36 -6.436 -7.293 -5.222 1.00 1.06 C ATOM 519 CG ARG A 36 -7.810 -6.647 -5.446 1.00 1.78 C ATOM 520 CD ARG A 36 -8.671 -6.693 -4.172 1.00 3.20 C ATOM 521 NE ARG A 36 -10.121 -6.611 -4.427 1.00 4.26 N ATOM 522 CZ ARG A 36 -11.046 -6.949 -3.532 1.00 5.70 C ATOM 523 NH1 ARG A 36 -10.752 -7.295 -2.307 1.00 6.62 N ATOM 524 NH2 ARG A 36 -12.331 -6.958 -3.799 1.00 6.85 N ATOM 0 H ARG A 36 -3.869 -5.792 -4.521 1.00 0.92 H new ATOM 0 HA ARG A 36 -6.353 -6.525 -3.204 1.00 0.94 H new ATOM 0 HB2 ARG A 36 -5.828 -7.126 -6.112 1.00 1.06 H new ATOM 0 HB3 ARG A 36 -6.574 -8.370 -5.127 1.00 1.06 H new ATOM 0 HG2 ARG A 36 -7.679 -5.612 -5.760 1.00 1.78 H new ATOM 0 HG3 ARG A 36 -8.328 -7.163 -6.255 1.00 1.78 H new ATOM 0 HD2 ARG A 36 -8.458 -7.617 -3.635 1.00 3.20 H new ATOM 0 HD3 ARG A 36 -8.380 -5.870 -3.519 1.00 3.20 H new ATOM 0 HE ARG A 36 -10.432 -6.277 -5.339 1.00 4.26 H new ATOM 0 HH11 ARG A 36 -9.779 -7.314 -2.002 1.00 6.62 H new ATOM 0 HH12 ARG A 36 -11.496 -7.546 -1.656 1.00 6.62 H new ATOM 0 HH21 ARG A 36 -12.661 -6.698 -4.729 1.00 6.85 H new ATOM 0 HH22 ARG A 36 -13.000 -7.225 -3.077 1.00 6.85 H new ATOM 538 N THR A 37 -5.169 -8.782 -2.649 1.00 0.80 N ATOM 539 CA THR A 37 -4.391 -9.918 -2.124 1.00 0.76 C ATOM 540 C THR A 37 -5.373 -11.016 -1.697 1.00 0.76 C ATOM 541 O THR A 37 -6.490 -10.660 -1.308 1.00 0.84 O ATOM 542 CB THR A 37 -3.490 -9.472 -0.964 1.00 0.85 C ATOM 543 OG1 THR A 37 -2.954 -10.619 -0.353 1.00 0.82 O ATOM 544 CG2 THR A 37 -4.200 -8.664 0.126 1.00 0.96 C ATOM 0 H THR A 37 -6.114 -8.740 -2.266 1.00 0.80 H new ATOM 0 HA THR A 37 -3.729 -10.311 -2.896 1.00 0.76 H new ATOM 0 HB THR A 37 -2.736 -8.820 -1.404 1.00 0.85 H new ATOM 0 HG1 THR A 37 -2.312 -10.352 0.338 1.00 0.82 H new ATOM 0 HG21 THR A 37 -3.485 -8.393 0.903 1.00 0.96 H new ATOM 0 HG22 THR A 37 -4.623 -7.759 -0.309 1.00 0.96 H new ATOM 0 HG23 THR A 37 -4.999 -9.264 0.562 1.00 0.96 H new ATOM 552 N PRO A 38 -5.005 -12.314 -1.712 1.00 0.74 N ATOM 553 CA PRO A 38 -5.837 -13.376 -1.151 1.00 0.75 C ATOM 554 C PRO A 38 -6.024 -13.266 0.362 1.00 0.75 C ATOM 555 O PRO A 38 -7.018 -13.769 0.872 1.00 0.85 O ATOM 556 CB PRO A 38 -5.118 -14.679 -1.504 1.00 0.84 C ATOM 557 CG PRO A 38 -3.658 -14.278 -1.680 1.00 0.83 C ATOM 558 CD PRO A 38 -3.791 -12.886 -2.290 1.00 0.78 C ATOM 0 HA PRO A 38 -6.844 -13.318 -1.563 1.00 0.75 H new ATOM 0 HB2 PRO A 38 -5.233 -15.421 -0.714 1.00 0.84 H new ATOM 0 HB3 PRO A 38 -5.521 -15.119 -2.416 1.00 0.84 H new ATOM 0 HG2 PRO A 38 -3.121 -14.260 -0.731 1.00 0.83 H new ATOM 0 HG3 PRO A 38 -3.122 -14.963 -2.337 1.00 0.83 H new ATOM 0 HD2 PRO A 38 -2.921 -12.272 -2.058 1.00 0.78 H new ATOM 0 HD3 PRO A 38 -3.863 -12.940 -3.376 1.00 0.78 H new ATOM 566 N VAL A 39 -5.096 -12.627 1.081 1.00 0.74 N ATOM 567 CA VAL A 39 -5.104 -12.617 2.565 1.00 0.78 C ATOM 568 C VAL A 39 -6.089 -11.619 3.201 1.00 0.78 C ATOM 569 O VAL A 39 -6.232 -11.607 4.422 1.00 0.90 O ATOM 570 CB VAL A 39 -3.683 -12.441 3.166 1.00 0.84 C ATOM 571 CG1 VAL A 39 -2.665 -13.344 2.447 1.00 0.90 C ATOM 572 CG2 VAL A 39 -3.197 -10.982 3.137 1.00 0.82 C ATOM 0 H VAL A 39 -4.323 -12.106 0.667 1.00 0.74 H new ATOM 0 HA VAL A 39 -5.473 -13.609 2.828 1.00 0.78 H new ATOM 0 HB VAL A 39 -3.758 -12.739 4.212 1.00 0.84 H new ATOM 0 HG11 VAL A 39 -1.678 -13.202 2.887 1.00 0.90 H new ATOM 0 HG12 VAL A 39 -2.964 -14.387 2.555 1.00 0.90 H new ATOM 0 HG13 VAL A 39 -2.632 -13.084 1.389 1.00 0.90 H new ATOM 0 HG21 VAL A 39 -2.199 -10.922 3.570 1.00 0.82 H new ATOM 0 HG22 VAL A 39 -3.167 -10.629 2.106 1.00 0.82 H new ATOM 0 HG23 VAL A 39 -3.881 -10.359 3.714 1.00 0.82 H new ATOM 582 N ALA A 40 -6.781 -10.798 2.403 1.00 0.74 N ATOM 583 CA ALA A 40 -7.691 -9.744 2.867 1.00 0.73 C ATOM 584 C ALA A 40 -8.842 -9.492 1.889 1.00 0.80 C ATOM 585 O ALA A 40 -8.863 -10.054 0.794 1.00 0.96 O ATOM 586 CB ALA A 40 -6.891 -8.458 3.102 1.00 0.96 C ATOM 0 H ALA A 40 -6.722 -10.850 1.386 1.00 0.74 H new ATOM 0 HA ALA A 40 -8.145 -10.076 3.800 1.00 0.73 H new ATOM 0 HB1 ALA A 40 -7.561 -7.671 3.447 1.00 0.96 H new ATOM 0 HB2 ALA A 40 -6.125 -8.639 3.856 1.00 0.96 H new ATOM 0 HB3 ALA A 40 -6.417 -8.149 2.170 1.00 0.96 H new ATOM 592 N GLU A 41 -9.786 -8.632 2.270 1.00 0.94 N ATOM 593 CA GLU A 41 -10.875 -8.187 1.408 1.00 1.24 C ATOM 594 C GLU A 41 -10.770 -6.676 1.160 1.00 1.33 C ATOM 595 O GLU A 41 -10.142 -6.249 0.186 1.00 1.89 O ATOM 596 CB GLU A 41 -12.220 -8.657 2.001 1.00 1.24 C ATOM 597 CG GLU A 41 -13.440 -8.303 1.137 1.00 1.76 C ATOM 598 CD GLU A 41 -13.204 -8.630 -0.337 1.00 3.04 C ATOM 599 OE1 GLU A 41 -12.820 -9.780 -0.633 1.00 3.41 O ATOM 600 OE2 GLU A 41 -13.198 -7.688 -1.160 1.00 4.32 O ATOM 0 H GLU A 41 -9.814 -8.219 3.202 1.00 0.94 H new ATOM 0 HA GLU A 41 -10.806 -8.642 0.420 1.00 1.24 H new ATOM 0 HB2 GLU A 41 -12.187 -9.738 2.140 1.00 1.24 H new ATOM 0 HB3 GLU A 41 -12.345 -8.213 2.988 1.00 1.24 H new ATOM 0 HG2 GLU A 41 -14.311 -8.851 1.496 1.00 1.76 H new ATOM 0 HG3 GLU A 41 -13.665 -7.242 1.243 1.00 1.76 H new ATOM 607 N ARG A 42 -11.360 -5.848 2.029 1.00 0.98 N ATOM 608 CA ARG A 42 -11.462 -4.413 1.788 1.00 1.04 C ATOM 609 C ARG A 42 -10.077 -3.775 1.882 1.00 1.06 C ATOM 610 O ARG A 42 -9.514 -3.626 2.961 1.00 1.43 O ATOM 611 CB ARG A 42 -12.476 -3.750 2.734 1.00 1.12 C ATOM 612 CG ARG A 42 -12.684 -2.275 2.349 1.00 1.42 C ATOM 613 CD ARG A 42 -13.723 -1.587 3.242 1.00 1.47 C ATOM 614 NE ARG A 42 -13.822 -0.157 2.918 1.00 2.70 N ATOM 615 CZ ARG A 42 -14.599 0.466 2.044 1.00 3.35 C ATOM 616 NH1 ARG A 42 -15.525 -0.158 1.340 1.00 3.63 N ATOM 617 NH2 ARG A 42 -14.413 1.757 1.884 1.00 4.89 N ATOM 0 H ARG A 42 -11.775 -6.154 2.909 1.00 0.98 H new ATOM 0 HA ARG A 42 -11.842 -4.251 0.779 1.00 1.04 H new ATOM 0 HB2 ARG A 42 -13.426 -4.282 2.689 1.00 1.12 H new ATOM 0 HB3 ARG A 42 -12.121 -3.817 3.763 1.00 1.12 H new ATOM 0 HG2 ARG A 42 -11.735 -1.744 2.423 1.00 1.42 H new ATOM 0 HG3 ARG A 42 -13.003 -2.214 1.309 1.00 1.42 H new ATOM 0 HD2 ARG A 42 -14.695 -2.063 3.110 1.00 1.47 H new ATOM 0 HD3 ARG A 42 -13.447 -1.709 4.289 1.00 1.47 H new ATOM 0 HE ARG A 42 -13.196 0.450 3.448 1.00 2.70 H new ATOM 0 HH11 ARG A 42 -15.665 -1.161 1.458 1.00 3.63 H new ATOM 0 HH12 ARG A 42 -16.100 0.363 0.678 1.00 3.63 H new ATOM 0 HH21 ARG A 42 -13.693 2.239 2.422 1.00 4.89 H new ATOM 0 HH22 ARG A 42 -14.989 2.277 1.222 1.00 4.89 H new ATOM 631 N VAL A 43 -9.559 -3.406 0.719 1.00 0.80 N ATOM 632 CA VAL A 43 -8.381 -2.562 0.501 1.00 0.87 C ATOM 633 C VAL A 43 -8.763 -1.076 0.563 1.00 1.00 C ATOM 634 O VAL A 43 -9.801 -0.689 0.025 1.00 1.41 O ATOM 635 CB VAL A 43 -7.733 -2.898 -0.864 1.00 1.40 C ATOM 636 CG1 VAL A 43 -8.674 -2.590 -2.049 1.00 2.00 C ATOM 637 CG2 VAL A 43 -6.369 -2.207 -1.027 1.00 1.40 C ATOM 0 H VAL A 43 -9.976 -3.707 -0.162 1.00 0.80 H new ATOM 0 HA VAL A 43 -7.657 -2.761 1.292 1.00 0.87 H new ATOM 0 HB VAL A 43 -7.558 -3.974 -0.874 1.00 1.40 H new ATOM 0 HG11 VAL A 43 -8.175 -2.842 -2.985 1.00 2.00 H new ATOM 0 HG12 VAL A 43 -9.585 -3.180 -1.953 1.00 2.00 H new ATOM 0 HG13 VAL A 43 -8.927 -1.530 -2.047 1.00 2.00 H new ATOM 0 HG21 VAL A 43 -5.944 -2.466 -1.997 1.00 1.40 H new ATOM 0 HG22 VAL A 43 -6.499 -1.127 -0.964 1.00 1.40 H new ATOM 0 HG23 VAL A 43 -5.696 -2.538 -0.236 1.00 1.40 H new ATOM 647 N GLU A 44 -7.903 -0.245 1.156 1.00 0.88 N ATOM 648 CA GLU A 44 -7.958 1.220 1.068 1.00 0.96 C ATOM 649 C GLU A 44 -6.541 1.800 1.097 1.00 0.93 C ATOM 650 O GLU A 44 -5.801 1.543 2.044 1.00 0.93 O ATOM 651 CB GLU A 44 -8.733 1.830 2.250 1.00 1.00 C ATOM 652 CG GLU A 44 -10.226 1.494 2.280 1.00 1.10 C ATOM 653 CD GLU A 44 -10.990 2.247 3.370 1.00 1.46 C ATOM 654 OE1 GLU A 44 -10.406 3.094 4.077 1.00 2.71 O ATOM 655 OE2 GLU A 44 -12.206 1.970 3.483 1.00 1.94 O ATOM 0 H GLU A 44 -7.127 -0.580 1.727 1.00 0.88 H new ATOM 0 HA GLU A 44 -8.464 1.465 0.134 1.00 0.96 H new ATOM 0 HB2 GLU A 44 -8.279 1.487 3.180 1.00 1.00 H new ATOM 0 HB3 GLU A 44 -8.619 2.914 2.220 1.00 1.00 H new ATOM 0 HG2 GLU A 44 -10.664 1.728 1.310 1.00 1.10 H new ATOM 0 HG3 GLU A 44 -10.348 0.422 2.434 1.00 1.10 H new ATOM 662 N LEU A 45 -6.142 2.598 0.098 1.00 0.91 N ATOM 663 CA LEU A 45 -4.910 3.363 0.175 1.00 0.90 C ATOM 664 C LEU A 45 -5.133 4.652 0.972 1.00 0.88 C ATOM 665 O LEU A 45 -5.865 5.558 0.565 1.00 0.92 O ATOM 666 CB LEU A 45 -4.383 3.589 -1.243 1.00 0.91 C ATOM 667 CG LEU A 45 -2.921 4.059 -1.208 1.00 0.96 C ATOM 668 CD1 LEU A 45 -2.161 3.488 -2.392 1.00 0.97 C ATOM 669 CD2 LEU A 45 -2.830 5.573 -1.291 1.00 0.95 C ATOM 0 H LEU A 45 -6.662 2.725 -0.771 1.00 0.91 H new ATOM 0 HA LEU A 45 -4.141 2.815 0.720 1.00 0.90 H new ATOM 0 HB2 LEU A 45 -4.460 2.666 -1.817 1.00 0.91 H new ATOM 0 HB3 LEU A 45 -4.998 4.332 -1.751 1.00 0.91 H new ATOM 0 HG LEU A 45 -2.492 3.714 -0.267 1.00 0.96 H new ATOM 0 HD11 LEU A 45 -1.126 3.827 -2.358 1.00 0.97 H new ATOM 0 HD12 LEU A 45 -2.188 2.399 -2.351 1.00 0.97 H new ATOM 0 HD13 LEU A 45 -2.623 3.827 -3.319 1.00 0.97 H new ATOM 0 HD21 LEU A 45 -1.783 5.877 -1.264 1.00 0.95 H new ATOM 0 HD22 LEU A 45 -3.283 5.914 -2.222 1.00 0.95 H new ATOM 0 HD23 LEU A 45 -3.358 6.016 -0.447 1.00 0.95 H new ATOM 681 N HIS A 46 -4.454 4.731 2.110 1.00 0.85 N ATOM 682 CA HIS A 46 -4.419 5.879 2.999 1.00 0.84 C ATOM 683 C HIS A 46 -3.141 6.712 2.809 1.00 0.83 C ATOM 684 O HIS A 46 -2.069 6.216 2.443 1.00 0.86 O ATOM 685 CB HIS A 46 -4.566 5.424 4.464 1.00 0.87 C ATOM 686 CG HIS A 46 -5.918 4.917 4.920 1.00 0.83 C ATOM 687 ND1 HIS A 46 -6.351 4.932 6.249 1.00 0.83 N ATOM 688 CD2 HIS A 46 -6.942 4.453 4.146 1.00 0.84 C ATOM 689 CE1 HIS A 46 -7.598 4.435 6.237 1.00 0.83 C ATOM 690 NE2 HIS A 46 -7.976 4.125 4.991 1.00 0.83 N ATOM 0 H HIS A 46 -3.886 3.956 2.452 1.00 0.85 H new ATOM 0 HA HIS A 46 -5.261 6.522 2.745 1.00 0.84 H new ATOM 0 HB2 HIS A 46 -3.836 4.635 4.643 1.00 0.87 H new ATOM 0 HB3 HIS A 46 -4.291 6.263 5.103 1.00 0.87 H new ATOM 0 HD2 HIS A 46 -6.940 4.361 3.070 1.00 0.84 H new ATOM 0 HE1 HIS A 46 -8.213 4.303 7.115 1.00 0.83 H new ATOM 0 HE2 HIS A 46 -8.871 3.718 4.717 1.00 0.83 H new ATOM 698 N GLU A 47 -3.286 7.998 3.100 1.00 0.80 N ATOM 699 CA GLU A 47 -2.192 8.942 3.298 1.00 0.82 C ATOM 700 C GLU A 47 -1.862 9.086 4.795 1.00 0.81 C ATOM 701 O GLU A 47 -2.518 8.505 5.666 1.00 0.81 O ATOM 702 CB GLU A 47 -2.561 10.299 2.675 1.00 0.90 C ATOM 703 CG GLU A 47 -3.870 10.873 3.247 1.00 0.87 C ATOM 704 CD GLU A 47 -4.050 12.364 2.995 1.00 1.19 C ATOM 705 OE1 GLU A 47 -3.073 13.056 2.636 1.00 1.87 O ATOM 706 OE2 GLU A 47 -5.156 12.872 3.281 1.00 1.99 O ATOM 0 H GLU A 47 -4.204 8.430 3.209 1.00 0.80 H new ATOM 0 HA GLU A 47 -1.299 8.564 2.801 1.00 0.82 H new ATOM 0 HB2 GLU A 47 -1.751 11.007 2.849 1.00 0.90 H new ATOM 0 HB3 GLU A 47 -2.659 10.185 1.595 1.00 0.90 H new ATOM 0 HG2 GLU A 47 -4.712 10.336 2.811 1.00 0.87 H new ATOM 0 HG3 GLU A 47 -3.897 10.690 4.321 1.00 0.87 H new ATOM 713 N THR A 48 -0.847 9.888 5.115 1.00 0.93 N ATOM 714 CA THR A 48 -0.485 10.292 6.477 1.00 0.97 C ATOM 715 C THR A 48 0.092 11.691 6.391 1.00 1.10 C ATOM 716 O THR A 48 1.215 11.883 5.930 1.00 1.20 O ATOM 717 CB THR A 48 0.500 9.303 7.092 1.00 1.00 C ATOM 718 OG1 THR A 48 -0.119 8.044 7.093 1.00 1.07 O ATOM 719 CG2 THR A 48 0.876 9.679 8.525 1.00 1.14 C ATOM 0 H THR A 48 -0.231 10.290 4.409 1.00 0.93 H new ATOM 0 HA THR A 48 -1.358 10.293 7.130 1.00 0.97 H new ATOM 0 HB THR A 48 1.420 9.306 6.507 1.00 1.00 H new ATOM 0 HG1 THR A 48 0.489 7.381 7.482 1.00 1.07 H new ATOM 0 HG21 THR A 48 1.579 8.946 8.921 1.00 1.14 H new ATOM 0 HG22 THR A 48 1.338 10.666 8.533 1.00 1.14 H new ATOM 0 HG23 THR A 48 -0.021 9.693 9.145 1.00 1.14 H new ATOM 727 N PHE A 49 -0.723 12.672 6.772 1.00 1.25 N ATOM 728 CA PHE A 49 -0.498 14.089 6.513 1.00 1.31 C ATOM 729 C PHE A 49 -0.225 14.881 7.790 1.00 1.30 C ATOM 730 O PHE A 49 -0.779 14.576 8.841 1.00 1.37 O ATOM 731 CB PHE A 49 -1.739 14.663 5.811 1.00 1.31 C ATOM 732 CG PHE A 49 -3.046 14.553 6.592 1.00 1.23 C ATOM 733 CD1 PHE A 49 -3.371 15.490 7.593 1.00 2.55 C ATOM 734 CD2 PHE A 49 -3.948 13.509 6.320 1.00 1.76 C ATOM 735 CE1 PHE A 49 -4.577 15.390 8.303 1.00 2.52 C ATOM 736 CE2 PHE A 49 -5.166 13.417 7.011 1.00 1.79 C ATOM 737 CZ PHE A 49 -5.479 14.355 8.006 1.00 1.20 C ATOM 0 H PHE A 49 -1.586 12.495 7.286 1.00 1.25 H new ATOM 0 HA PHE A 49 0.387 14.179 5.883 1.00 1.31 H new ATOM 0 HB2 PHE A 49 -1.556 15.714 5.590 1.00 1.31 H new ATOM 0 HB3 PHE A 49 -1.863 14.153 4.856 1.00 1.31 H new ATOM 0 HD1 PHE A 49 -2.685 16.293 7.816 1.00 2.55 H new ATOM 0 HD2 PHE A 49 -3.701 12.770 5.572 1.00 1.76 H new ATOM 0 HE1 PHE A 49 -4.811 16.107 9.076 1.00 2.52 H new ATOM 0 HE2 PHE A 49 -5.862 12.625 6.777 1.00 1.79 H new ATOM 0 HZ PHE A 49 -6.413 14.281 8.543 1.00 1.20 H new ATOM 747 N MET A 50 0.512 15.989 7.657 1.00 1.33 N ATOM 748 CA MET A 50 0.460 17.099 8.617 1.00 1.34 C ATOM 749 C MET A 50 -0.317 18.270 8.007 1.00 1.36 C ATOM 750 O MET A 50 0.016 18.773 6.936 1.00 1.89 O ATOM 751 CB MET A 50 1.849 17.508 9.135 1.00 1.64 C ATOM 752 CG MET A 50 2.808 18.018 8.058 1.00 2.39 C ATOM 753 SD MET A 50 4.305 18.780 8.723 1.00 3.12 S ATOM 754 CE MET A 50 5.205 19.011 7.172 1.00 3.37 C ATOM 0 H MET A 50 1.160 16.142 6.884 1.00 1.33 H new ATOM 0 HA MET A 50 -0.075 16.759 9.504 1.00 1.34 H new ATOM 0 HB2 MET A 50 1.726 18.284 9.890 1.00 1.64 H new ATOM 0 HB3 MET A 50 2.304 16.650 9.631 1.00 1.64 H new ATOM 0 HG2 MET A 50 3.090 17.187 7.412 1.00 2.39 H new ATOM 0 HG3 MET A 50 2.287 18.744 7.434 1.00 2.39 H new ATOM 0 HE1 MET A 50 6.169 19.476 7.377 1.00 3.37 H new ATOM 0 HE2 MET A 50 5.362 18.044 6.695 1.00 3.37 H new ATOM 0 HE3 MET A 50 4.626 19.653 6.508 1.00 3.37 H new ATOM 764 N ARG A 51 -1.384 18.668 8.691 1.00 1.29 N ATOM 765 CA ARG A 51 -2.307 19.751 8.314 1.00 1.55 C ATOM 766 C ARG A 51 -2.786 20.466 9.582 1.00 1.73 C ATOM 767 O ARG A 51 -2.523 19.991 10.692 1.00 1.77 O ATOM 768 CB ARG A 51 -3.495 19.206 7.484 1.00 1.99 C ATOM 769 CG ARG A 51 -3.054 18.692 6.101 1.00 3.19 C ATOM 770 CD ARG A 51 -4.191 18.111 5.253 1.00 3.72 C ATOM 771 NE ARG A 51 -3.631 17.495 4.033 1.00 5.29 N ATOM 772 CZ ARG A 51 -3.858 16.265 3.574 1.00 6.22 C ATOM 773 NH1 ARG A 51 -4.790 15.483 4.064 1.00 5.93 N ATOM 774 NH2 ARG A 51 -3.106 15.775 2.620 1.00 7.88 N ATOM 0 H ARG A 51 -1.649 18.225 9.571 1.00 1.29 H new ATOM 0 HA ARG A 51 -1.784 20.468 7.682 1.00 1.55 H new ATOM 0 HB2 ARG A 51 -3.978 18.397 8.033 1.00 1.99 H new ATOM 0 HB3 ARG A 51 -4.238 19.993 7.357 1.00 1.99 H new ATOM 0 HG2 ARG A 51 -2.590 19.512 5.553 1.00 3.19 H new ATOM 0 HG3 ARG A 51 -2.290 17.926 6.237 1.00 3.19 H new ATOM 0 HD2 ARG A 51 -4.744 17.368 5.827 1.00 3.72 H new ATOM 0 HD3 ARG A 51 -4.897 18.897 4.985 1.00 3.72 H new ATOM 0 HE ARG A 51 -3.000 18.076 3.480 1.00 5.29 H new ATOM 0 HH11 ARG A 51 -5.379 15.810 4.830 1.00 5.93 H new ATOM 0 HH12 ARG A 51 -4.926 14.548 3.679 1.00 5.93 H new ATOM 0 HH21 ARG A 51 -2.348 16.335 2.230 1.00 7.88 H new ATOM 0 HH22 ARG A 51 -3.278 14.834 2.267 1.00 7.88 H new ATOM 788 N GLU A 52 -3.463 21.596 9.415 1.00 1.96 N ATOM 789 CA GLU A 52 -3.893 22.441 10.518 1.00 2.16 C ATOM 790 C GLU A 52 -5.343 22.137 10.870 1.00 2.24 C ATOM 791 O GLU A 52 -6.151 21.839 9.994 1.00 2.34 O ATOM 792 CB GLU A 52 -3.681 23.924 10.179 1.00 2.42 C ATOM 793 CG GLU A 52 -2.242 24.379 10.454 1.00 2.53 C ATOM 794 CD GLU A 52 -1.199 23.839 9.470 1.00 3.17 C ATOM 795 OE1 GLU A 52 -0.848 22.638 9.540 1.00 3.27 O ATOM 796 OE2 GLU A 52 -0.623 24.607 8.674 1.00 4.27 O ATOM 0 H GLU A 52 -3.731 21.954 8.498 1.00 1.96 H new ATOM 0 HA GLU A 52 -3.284 22.224 11.396 1.00 2.16 H new ATOM 0 HB2 GLU A 52 -3.920 24.093 9.129 1.00 2.42 H new ATOM 0 HB3 GLU A 52 -4.371 24.532 10.765 1.00 2.42 H new ATOM 0 HG2 GLU A 52 -2.210 25.468 10.434 1.00 2.53 H new ATOM 0 HG3 GLU A 52 -1.964 24.070 11.462 1.00 2.53 H new ATOM 803 N VAL A 53 -5.638 22.203 12.166 1.00 2.28 N ATOM 804 CA VAL A 53 -6.953 21.885 12.752 1.00 2.42 C ATOM 805 C VAL A 53 -7.261 22.918 13.836 1.00 2.65 C ATOM 806 O VAL A 53 -7.815 23.978 13.563 1.00 3.71 O ATOM 807 CB VAL A 53 -7.050 20.409 13.231 1.00 2.35 C ATOM 808 CG1 VAL A 53 -8.461 20.092 13.765 1.00 3.10 C ATOM 809 CG2 VAL A 53 -6.727 19.388 12.124 1.00 2.93 C ATOM 0 H VAL A 53 -4.952 22.487 12.865 1.00 2.28 H new ATOM 0 HA VAL A 53 -7.727 21.956 11.988 1.00 2.42 H new ATOM 0 HB VAL A 53 -6.304 20.315 14.020 1.00 2.35 H new ATOM 0 HG11 VAL A 53 -8.501 19.053 14.093 1.00 3.10 H new ATOM 0 HG12 VAL A 53 -8.687 20.747 14.606 1.00 3.10 H new ATOM 0 HG13 VAL A 53 -9.194 20.251 12.974 1.00 3.10 H new ATOM 0 HG21 VAL A 53 -6.813 18.378 12.524 1.00 2.93 H new ATOM 0 HG22 VAL A 53 -7.428 19.512 11.299 1.00 2.93 H new ATOM 0 HG23 VAL A 53 -5.711 19.550 11.764 1.00 2.93 H new ATOM 819 N GLU A 54 -6.807 22.640 15.051 1.00 2.21 N ATOM 820 CA GLU A 54 -6.791 23.548 16.205 1.00 2.30 C ATOM 821 C GLU A 54 -5.631 24.564 16.076 1.00 2.29 C ATOM 822 O GLU A 54 -4.763 24.654 16.943 1.00 2.34 O ATOM 823 CB GLU A 54 -6.697 22.693 17.482 1.00 2.34 C ATOM 824 CG GLU A 54 -7.004 23.464 18.779 1.00 2.41 C ATOM 825 CD GLU A 54 -6.098 23.020 19.927 1.00 2.43 C ATOM 826 OE1 GLU A 54 -5.768 21.814 20.014 1.00 2.96 O ATOM 827 OE2 GLU A 54 -5.570 23.887 20.657 1.00 2.82 O ATOM 0 H GLU A 54 -6.417 21.725 15.277 1.00 2.21 H new ATOM 0 HA GLU A 54 -7.706 24.139 16.251 1.00 2.30 H new ATOM 0 HB2 GLU A 54 -7.389 21.855 17.397 1.00 2.34 H new ATOM 0 HB3 GLU A 54 -5.694 22.272 17.551 1.00 2.34 H new ATOM 0 HG2 GLU A 54 -6.876 24.533 18.606 1.00 2.41 H new ATOM 0 HG3 GLU A 54 -8.046 23.309 19.057 1.00 2.41 H new ATOM 834 N GLY A 55 -5.533 25.238 14.919 1.00 2.48 N ATOM 835 CA GLY A 55 -4.462 26.181 14.537 1.00 2.78 C ATOM 836 C GLY A 55 -3.094 25.538 14.269 1.00 2.84 C ATOM 837 O GLY A 55 -2.328 26.009 13.436 1.00 3.48 O ATOM 0 H GLY A 55 -6.234 25.137 14.185 1.00 2.48 H new ATOM 0 HA2 GLY A 55 -4.775 26.719 13.642 1.00 2.78 H new ATOM 0 HA3 GLY A 55 -4.350 26.920 15.330 1.00 2.78 H new ATOM 841 N LYS A 56 -2.779 24.450 14.967 1.00 2.34 N ATOM 842 CA LYS A 56 -1.479 23.783 15.001 1.00 2.48 C ATOM 843 C LYS A 56 -1.363 22.727 13.893 1.00 2.34 C ATOM 844 O LYS A 56 -2.340 22.046 13.571 1.00 1.94 O ATOM 845 CB LYS A 56 -1.332 23.135 16.391 1.00 2.33 C ATOM 846 CG LYS A 56 -1.288 24.170 17.537 1.00 2.77 C ATOM 847 CD LYS A 56 -1.462 23.563 18.940 1.00 2.61 C ATOM 848 CE LYS A 56 -2.815 22.849 19.070 1.00 2.79 C ATOM 849 NZ LYS A 56 -3.225 22.617 20.473 1.00 2.67 N ATOM 0 H LYS A 56 -3.465 23.982 15.559 1.00 2.34 H new ATOM 0 HA LYS A 56 -0.682 24.506 14.827 1.00 2.48 H new ATOM 0 HB2 LYS A 56 -2.165 22.452 16.557 1.00 2.33 H new ATOM 0 HB3 LYS A 56 -0.421 22.538 16.413 1.00 2.33 H new ATOM 0 HG2 LYS A 56 -0.336 24.699 17.498 1.00 2.77 H new ATOM 0 HG3 LYS A 56 -2.071 24.910 17.374 1.00 2.77 H new ATOM 0 HD2 LYS A 56 -0.655 22.858 19.137 1.00 2.61 H new ATOM 0 HD3 LYS A 56 -1.389 24.349 19.691 1.00 2.61 H new ATOM 0 HE2 LYS A 56 -3.580 23.442 18.569 1.00 2.79 H new ATOM 0 HE3 LYS A 56 -2.764 21.892 18.551 1.00 2.79 H new ATOM 0 HZ1 LYS A 56 -3.719 21.705 20.544 1.00 2.67 H new ATOM 0 HZ2 LYS A 56 -2.383 22.603 21.083 1.00 2.67 H new ATOM 0 HZ3 LYS A 56 -3.862 23.380 20.779 1.00 2.67 H new ATOM 863 N LYS A 57 -0.154 22.541 13.353 1.00 2.69 N ATOM 864 CA LYS A 57 0.141 21.453 12.410 1.00 2.47 C ATOM 865 C LYS A 57 0.076 20.102 13.148 1.00 2.21 C ATOM 866 O LYS A 57 0.838 19.905 14.094 1.00 2.48 O ATOM 867 CB LYS A 57 1.517 21.653 11.729 1.00 2.74 C ATOM 868 CG LYS A 57 1.850 23.110 11.344 1.00 3.82 C ATOM 869 CD LYS A 57 2.997 23.253 10.329 1.00 4.20 C ATOM 870 CE LYS A 57 2.771 22.575 8.964 1.00 4.51 C ATOM 871 NZ LYS A 57 1.533 23.035 8.289 1.00 5.16 N ATOM 0 H LYS A 57 0.647 23.138 13.556 1.00 2.69 H new ATOM 0 HA LYS A 57 -0.609 21.462 11.619 1.00 2.47 H new ATOM 0 HB2 LYS A 57 2.294 21.284 12.399 1.00 2.74 H new ATOM 0 HB3 LYS A 57 1.553 21.038 10.830 1.00 2.74 H new ATOM 0 HG2 LYS A 57 0.956 23.577 10.932 1.00 3.82 H new ATOM 0 HG3 LYS A 57 2.110 23.661 12.248 1.00 3.82 H new ATOM 0 HD2 LYS A 57 3.178 24.315 10.161 1.00 4.20 H new ATOM 0 HD3 LYS A 57 3.903 22.841 10.773 1.00 4.20 H new ATOM 0 HE2 LYS A 57 3.626 22.775 8.319 1.00 4.51 H new ATOM 0 HE3 LYS A 57 2.723 21.495 9.104 1.00 4.51 H new ATOM 0 HZ1 LYS A 57 1.615 22.873 7.265 1.00 5.16 H new ATOM 0 HZ2 LYS A 57 0.718 22.505 8.659 1.00 5.16 H new ATOM 0 HZ3 LYS A 57 1.396 24.050 8.469 1.00 5.16 H new ATOM 885 N VAL A 58 -0.819 19.197 12.753 1.00 1.82 N ATOM 886 CA VAL A 58 -1.074 17.924 13.452 1.00 1.63 C ATOM 887 C VAL A 58 -1.211 16.762 12.461 1.00 1.36 C ATOM 888 O VAL A 58 -1.650 16.963 11.327 1.00 1.41 O ATOM 889 CB VAL A 58 -2.296 18.058 14.398 1.00 1.67 C ATOM 890 CG1 VAL A 58 -3.618 18.330 13.661 1.00 3.31 C ATOM 891 CG2 VAL A 58 -2.447 16.846 15.329 1.00 1.47 C ATOM 0 H VAL A 58 -1.401 19.324 11.925 1.00 1.82 H new ATOM 0 HA VAL A 58 -0.212 17.689 14.077 1.00 1.63 H new ATOM 0 HB VAL A 58 -2.082 18.937 15.006 1.00 1.67 H new ATOM 0 HG11 VAL A 58 -4.428 18.412 14.385 1.00 3.31 H new ATOM 0 HG12 VAL A 58 -3.537 19.261 13.100 1.00 3.31 H new ATOM 0 HG13 VAL A 58 -3.827 17.510 12.974 1.00 3.31 H new ATOM 0 HG21 VAL A 58 -3.316 16.987 15.972 1.00 1.47 H new ATOM 0 HG22 VAL A 58 -2.579 15.943 14.733 1.00 1.47 H new ATOM 0 HG23 VAL A 58 -1.553 16.746 15.945 1.00 1.47 H new ATOM 901 N MET A 59 -0.788 15.564 12.884 1.00 1.37 N ATOM 902 CA MET A 59 -0.816 14.331 12.086 1.00 1.24 C ATOM 903 C MET A 59 -2.204 13.687 11.997 1.00 1.33 C ATOM 904 O MET A 59 -2.913 13.605 12.999 1.00 1.69 O ATOM 905 CB MET A 59 0.167 13.300 12.662 1.00 1.54 C ATOM 906 CG MET A 59 1.619 13.696 12.399 1.00 2.12 C ATOM 907 SD MET A 59 2.078 13.657 10.647 1.00 2.95 S ATOM 908 CE MET A 59 3.725 14.372 10.815 1.00 3.43 C ATOM 0 H MET A 59 -0.405 15.421 13.819 1.00 1.37 H new ATOM 0 HA MET A 59 -0.527 14.626 11.077 1.00 1.24 H new ATOM 0 HB2 MET A 59 0.005 13.203 13.735 1.00 1.54 H new ATOM 0 HB3 MET A 59 -0.030 12.323 12.220 1.00 1.54 H new ATOM 0 HG2 MET A 59 1.789 14.700 12.788 1.00 2.12 H new ATOM 0 HG3 MET A 59 2.275 13.025 12.953 1.00 2.12 H new ATOM 0 HE1 MET A 59 4.194 14.439 9.833 1.00 3.43 H new ATOM 0 HE2 MET A 59 3.646 15.369 11.249 1.00 3.43 H new ATOM 0 HE3 MET A 59 4.331 13.741 11.464 1.00 3.43 H new ATOM 918 N GLY A 60 -2.553 13.155 10.821 1.00 1.14 N ATOM 919 CA GLY A 60 -3.753 12.337 10.613 1.00 1.19 C ATOM 920 C GLY A 60 -3.659 11.381 9.425 1.00 1.06 C ATOM 921 O GLY A 60 -2.903 11.619 8.485 1.00 1.25 O ATOM 0 H GLY A 60 -2.001 13.283 9.973 1.00 1.14 H new ATOM 0 HA2 GLY A 60 -3.946 11.759 11.516 1.00 1.19 H new ATOM 0 HA3 GLY A 60 -4.608 12.997 10.468 1.00 1.19 H new ATOM 925 N MET A 61 -4.473 10.323 9.454 1.00 0.95 N ATOM 926 CA MET A 61 -4.641 9.344 8.373 1.00 0.86 C ATOM 927 C MET A 61 -6.060 9.416 7.806 1.00 0.84 C ATOM 928 O MET A 61 -7.033 9.466 8.561 1.00 0.87 O ATOM 929 CB MET A 61 -4.406 7.911 8.888 1.00 0.99 C ATOM 930 CG MET A 61 -2.945 7.596 9.214 1.00 1.02 C ATOM 931 SD MET A 61 -2.263 8.321 10.724 1.00 1.82 S ATOM 932 CE MET A 61 -0.709 7.397 10.744 1.00 1.54 C ATOM 0 H MET A 61 -5.058 10.115 10.264 1.00 0.95 H new ATOM 0 HA MET A 61 -3.911 9.583 7.600 1.00 0.86 H new ATOM 0 HB2 MET A 61 -5.009 7.755 9.783 1.00 0.99 H new ATOM 0 HB3 MET A 61 -4.760 7.204 8.138 1.00 0.99 H new ATOM 0 HG2 MET A 61 -2.839 6.513 9.281 1.00 1.02 H new ATOM 0 HG3 MET A 61 -2.333 7.925 8.374 1.00 1.02 H new ATOM 0 HE1 MET A 61 -0.001 7.889 11.411 1.00 1.54 H new ATOM 0 HE2 MET A 61 -0.894 6.382 11.096 1.00 1.54 H new ATOM 0 HE3 MET A 61 -0.294 7.362 9.737 1.00 1.54 H new ATOM 942 N ARG A 62 -6.183 9.356 6.477 1.00 0.96 N ATOM 943 CA ARG A 62 -7.442 9.100 5.758 1.00 0.75 C ATOM 944 C ARG A 62 -7.155 8.342 4.450 1.00 0.72 C ATOM 945 O ARG A 62 -6.048 8.475 3.921 1.00 0.81 O ATOM 946 CB ARG A 62 -8.206 10.403 5.430 1.00 0.93 C ATOM 947 CG ARG A 62 -8.829 11.083 6.662 1.00 2.06 C ATOM 948 CD ARG A 62 -9.905 12.121 6.304 1.00 2.71 C ATOM 949 NE ARG A 62 -11.274 11.549 6.332 1.00 4.28 N ATOM 950 CZ ARG A 62 -12.415 12.236 6.310 1.00 5.37 C ATOM 951 NH1 ARG A 62 -12.434 13.539 6.115 1.00 5.30 N ATOM 952 NH2 ARG A 62 -13.569 11.623 6.492 1.00 7.04 N ATOM 0 H ARG A 62 -5.389 9.487 5.850 1.00 0.96 H new ATOM 0 HA ARG A 62 -8.070 8.499 6.416 1.00 0.75 H new ATOM 0 HB2 ARG A 62 -7.523 11.102 4.947 1.00 0.93 H new ATOM 0 HB3 ARG A 62 -8.995 10.180 4.712 1.00 0.93 H new ATOM 0 HG2 ARG A 62 -9.269 10.321 7.305 1.00 2.06 H new ATOM 0 HG3 ARG A 62 -8.041 11.570 7.237 1.00 2.06 H new ATOM 0 HD2 ARG A 62 -9.848 12.955 7.003 1.00 2.71 H new ATOM 0 HD3 ARG A 62 -9.702 12.523 5.311 1.00 2.71 H new ATOM 0 HE ARG A 62 -11.348 10.532 6.372 1.00 4.28 H new ATOM 0 HH11 ARG A 62 -11.560 14.047 5.976 1.00 5.30 H new ATOM 0 HH12 ARG A 62 -13.322 14.040 6.103 1.00 5.30 H new ATOM 0 HH21 ARG A 62 -13.592 10.616 6.651 1.00 7.04 H new ATOM 0 HH22 ARG A 62 -14.438 12.156 6.474 1.00 7.04 H new ATOM 966 N PRO A 63 -8.132 7.590 3.900 1.00 0.66 N ATOM 967 CA PRO A 63 -8.060 7.060 2.543 1.00 0.66 C ATOM 968 C PRO A 63 -8.077 8.190 1.513 1.00 0.65 C ATOM 969 O PRO A 63 -8.757 9.197 1.708 1.00 0.61 O ATOM 970 CB PRO A 63 -9.244 6.106 2.373 1.00 0.66 C ATOM 971 CG PRO A 63 -10.240 6.588 3.411 1.00 0.69 C ATOM 972 CD PRO A 63 -9.398 7.217 4.517 1.00 0.62 C ATOM 0 HA PRO A 63 -7.125 6.524 2.380 1.00 0.66 H new ATOM 0 HB2 PRO A 63 -9.658 6.156 1.366 1.00 0.66 H new ATOM 0 HB3 PRO A 63 -8.953 5.070 2.547 1.00 0.66 H new ATOM 0 HG2 PRO A 63 -10.933 7.313 2.984 1.00 0.69 H new ATOM 0 HG3 PRO A 63 -10.839 5.762 3.794 1.00 0.69 H new ATOM 0 HD2 PRO A 63 -9.898 8.089 4.939 1.00 0.62 H new ATOM 0 HD3 PRO A 63 -9.241 6.514 5.335 1.00 0.62 H new ATOM 980 N VAL A 64 -7.350 7.984 0.414 1.00 0.73 N ATOM 981 CA VAL A 64 -7.432 8.779 -0.823 1.00 0.61 C ATOM 982 C VAL A 64 -8.073 7.939 -1.943 1.00 0.61 C ATOM 983 O VAL A 64 -8.043 6.708 -1.869 1.00 0.69 O ATOM 984 CB VAL A 64 -6.044 9.297 -1.285 1.00 0.61 C ATOM 985 CG1 VAL A 64 -5.614 10.502 -0.439 1.00 0.66 C ATOM 986 CG2 VAL A 64 -4.947 8.224 -1.244 1.00 0.65 C ATOM 0 H VAL A 64 -6.662 7.234 0.353 1.00 0.73 H new ATOM 0 HA VAL A 64 -8.051 9.650 -0.608 1.00 0.61 H new ATOM 0 HB VAL A 64 -6.164 9.591 -2.328 1.00 0.61 H new ATOM 0 HG11 VAL A 64 -4.639 10.853 -0.776 1.00 0.66 H new ATOM 0 HG12 VAL A 64 -6.346 11.303 -0.548 1.00 0.66 H new ATOM 0 HG13 VAL A 64 -5.552 10.207 0.609 1.00 0.66 H new ATOM 0 HG21 VAL A 64 -4.004 8.655 -1.580 1.00 0.65 H new ATOM 0 HG22 VAL A 64 -4.835 7.856 -0.224 1.00 0.65 H new ATOM 0 HG23 VAL A 64 -5.222 7.398 -1.899 1.00 0.65 H new ATOM 996 N PRO A 65 -8.627 8.569 -3.000 1.00 0.58 N ATOM 997 CA PRO A 65 -9.140 7.852 -4.163 1.00 0.64 C ATOM 998 C PRO A 65 -8.033 7.237 -5.033 1.00 0.60 C ATOM 999 O PRO A 65 -8.352 6.391 -5.864 1.00 0.63 O ATOM 1000 CB PRO A 65 -9.955 8.889 -4.944 1.00 0.70 C ATOM 1001 CG PRO A 65 -9.259 10.206 -4.611 1.00 0.65 C ATOM 1002 CD PRO A 65 -8.848 10.003 -3.153 1.00 0.58 C ATOM 0 HA PRO A 65 -9.741 6.998 -3.853 1.00 0.64 H new ATOM 0 HB2 PRO A 65 -9.942 8.687 -6.015 1.00 0.70 H new ATOM 0 HB3 PRO A 65 -11.000 8.896 -4.633 1.00 0.70 H new ATOM 0 HG2 PRO A 65 -8.397 10.384 -5.255 1.00 0.65 H new ATOM 0 HG3 PRO A 65 -9.927 11.059 -4.729 1.00 0.65 H new ATOM 0 HD2 PRO A 65 -7.944 10.565 -2.919 1.00 0.58 H new ATOM 0 HD3 PRO A 65 -9.626 10.354 -2.475 1.00 0.58 H new ATOM 1010 N PHE A 66 -6.761 7.644 -4.862 1.00 0.57 N ATOM 1011 CA PHE A 66 -5.598 7.171 -5.612 1.00 0.57 C ATOM 1012 C PHE A 66 -4.303 7.786 -5.065 1.00 0.61 C ATOM 1013 O PHE A 66 -4.305 8.844 -4.434 1.00 0.64 O ATOM 1014 CB PHE A 66 -5.736 7.431 -7.127 1.00 0.59 C ATOM 1015 CG PHE A 66 -5.903 8.875 -7.555 1.00 0.63 C ATOM 1016 CD1 PHE A 66 -4.780 9.716 -7.687 1.00 2.04 C ATOM 1017 CD2 PHE A 66 -7.183 9.372 -7.865 1.00 2.05 C ATOM 1018 CE1 PHE A 66 -4.938 11.043 -8.116 1.00 2.03 C ATOM 1019 CE2 PHE A 66 -7.340 10.699 -8.301 1.00 2.12 C ATOM 1020 CZ PHE A 66 -6.217 11.535 -8.426 1.00 0.81 C ATOM 0 H PHE A 66 -6.512 8.344 -4.163 1.00 0.57 H new ATOM 0 HA PHE A 66 -5.549 6.091 -5.476 1.00 0.57 H new ATOM 0 HB2 PHE A 66 -4.853 7.028 -7.624 1.00 0.59 H new ATOM 0 HB3 PHE A 66 -6.593 6.866 -7.493 1.00 0.59 H new ATOM 0 HD1 PHE A 66 -3.795 9.338 -7.457 1.00 2.04 H new ATOM 0 HD2 PHE A 66 -8.047 8.732 -7.768 1.00 2.05 H new ATOM 0 HE1 PHE A 66 -4.076 11.687 -8.208 1.00 2.03 H new ATOM 0 HE2 PHE A 66 -8.323 11.076 -8.540 1.00 2.12 H new ATOM 0 HZ PHE A 66 -6.337 12.555 -8.760 1.00 0.81 H new ATOM 1030 N LEU A 67 -3.187 7.137 -5.394 1.00 0.67 N ATOM 1031 CA LEU A 67 -1.851 7.722 -5.479 1.00 0.68 C ATOM 1032 C LEU A 67 -1.412 7.787 -6.949 1.00 0.68 C ATOM 1033 O LEU A 67 -2.082 7.242 -7.826 1.00 0.68 O ATOM 1034 CB LEU A 67 -0.864 6.864 -4.654 1.00 0.71 C ATOM 1035 CG LEU A 67 -0.347 7.558 -3.384 1.00 0.83 C ATOM 1036 CD1 LEU A 67 0.664 6.609 -2.720 1.00 1.20 C ATOM 1037 CD2 LEU A 67 0.388 8.880 -3.670 1.00 0.99 C ATOM 0 H LEU A 67 -3.191 6.142 -5.619 1.00 0.67 H new ATOM 0 HA LEU A 67 -1.862 8.734 -5.074 1.00 0.68 H new ATOM 0 HB2 LEU A 67 -1.355 5.932 -4.373 1.00 0.71 H new ATOM 0 HB3 LEU A 67 -0.014 6.599 -5.283 1.00 0.71 H new ATOM 0 HG LEU A 67 -1.210 7.785 -2.757 1.00 0.83 H new ATOM 0 HD11 LEU A 67 1.054 7.070 -1.812 1.00 1.20 H new ATOM 0 HD12 LEU A 67 0.171 5.670 -2.468 1.00 1.20 H new ATOM 0 HD13 LEU A 67 1.486 6.413 -3.409 1.00 1.20 H new ATOM 0 HD21 LEU A 67 0.727 9.318 -2.731 1.00 0.99 H new ATOM 0 HD22 LEU A 67 1.248 8.687 -4.312 1.00 0.99 H new ATOM 0 HD23 LEU A 67 -0.290 9.572 -4.170 1.00 0.99 H new ATOM 1049 N GLU A 68 -0.248 8.370 -7.228 1.00 0.71 N ATOM 1050 CA GLU A 68 0.340 8.362 -8.568 1.00 0.74 C ATOM 1051 C GLU A 68 1.858 8.485 -8.529 1.00 0.76 C ATOM 1052 O GLU A 68 2.434 8.738 -7.475 1.00 0.80 O ATOM 1053 CB GLU A 68 -0.335 9.412 -9.460 1.00 0.88 C ATOM 1054 CG GLU A 68 0.027 10.866 -9.182 1.00 1.13 C ATOM 1055 CD GLU A 68 -0.877 11.703 -10.084 1.00 1.34 C ATOM 1056 OE1 GLU A 68 -2.098 11.743 -9.828 1.00 2.42 O ATOM 1057 OE2 GLU A 68 -0.429 12.149 -11.157 1.00 1.88 O ATOM 0 H GLU A 68 0.314 8.861 -6.533 1.00 0.71 H new ATOM 0 HA GLU A 68 0.145 7.390 -9.022 1.00 0.74 H new ATOM 0 HB2 GLU A 68 -0.087 9.190 -10.498 1.00 0.88 H new ATOM 0 HB3 GLU A 68 -1.415 9.303 -9.360 1.00 0.88 H new ATOM 0 HG2 GLU A 68 -0.131 11.114 -8.132 1.00 1.13 H new ATOM 0 HG3 GLU A 68 1.078 11.055 -9.399 1.00 1.13 H new ATOM 1064 N VAL A 69 2.495 8.244 -9.676 1.00 0.80 N ATOM 1065 CA VAL A 69 3.948 8.120 -9.806 1.00 0.80 C ATOM 1066 C VAL A 69 4.380 8.590 -11.201 1.00 0.81 C ATOM 1067 O VAL A 69 3.730 8.208 -12.179 1.00 0.86 O ATOM 1068 CB VAL A 69 4.425 6.650 -9.616 1.00 0.81 C ATOM 1069 CG1 VAL A 69 5.947 6.573 -9.415 1.00 0.83 C ATOM 1070 CG2 VAL A 69 3.747 5.893 -8.456 1.00 0.83 C ATOM 0 H VAL A 69 2.003 8.127 -10.562 1.00 0.80 H new ATOM 0 HA VAL A 69 4.399 8.736 -9.028 1.00 0.80 H new ATOM 0 HB VAL A 69 4.128 6.159 -10.543 1.00 0.81 H new ATOM 0 HG11 VAL A 69 6.245 5.532 -9.286 1.00 0.83 H new ATOM 0 HG12 VAL A 69 6.451 6.989 -10.288 1.00 0.83 H new ATOM 0 HG13 VAL A 69 6.226 7.143 -8.529 1.00 0.83 H new ATOM 0 HG21 VAL A 69 4.143 4.879 -8.402 1.00 0.83 H new ATOM 0 HG22 VAL A 69 3.947 6.411 -7.518 1.00 0.83 H new ATOM 0 HG23 VAL A 69 2.671 5.853 -8.627 1.00 0.83 H new ATOM 1080 N PRO A 70 5.462 9.375 -11.342 1.00 0.80 N ATOM 1081 CA PRO A 70 5.976 9.769 -12.647 1.00 0.81 C ATOM 1082 C PRO A 70 6.660 8.596 -13.378 1.00 0.76 C ATOM 1083 O PRO A 70 6.940 7.560 -12.768 1.00 0.74 O ATOM 1084 CB PRO A 70 6.956 10.911 -12.363 1.00 0.85 C ATOM 1085 CG PRO A 70 7.479 10.585 -10.967 1.00 0.83 C ATOM 1086 CD PRO A 70 6.255 9.984 -10.280 1.00 0.82 C ATOM 0 HA PRO A 70 5.173 10.083 -13.314 1.00 0.81 H new ATOM 0 HB2 PRO A 70 7.761 10.942 -13.097 1.00 0.85 H new ATOM 0 HB3 PRO A 70 6.461 11.882 -12.391 1.00 0.85 H new ATOM 0 HG2 PRO A 70 8.311 9.881 -11.001 1.00 0.83 H new ATOM 0 HG3 PRO A 70 7.836 11.476 -10.450 1.00 0.83 H new ATOM 0 HD2 PRO A 70 6.548 9.243 -9.537 1.00 0.82 H new ATOM 0 HD3 PRO A 70 5.684 10.751 -9.757 1.00 0.82 H new ATOM 1094 N PRO A 71 6.958 8.751 -14.680 1.00 0.79 N ATOM 1095 CA PRO A 71 7.818 7.842 -15.429 1.00 0.77 C ATOM 1096 C PRO A 71 9.228 7.778 -14.843 1.00 0.76 C ATOM 1097 O PRO A 71 9.723 8.765 -14.299 1.00 0.86 O ATOM 1098 CB PRO A 71 7.781 8.318 -16.873 1.00 0.85 C ATOM 1099 CG PRO A 71 7.207 9.730 -16.848 1.00 0.91 C ATOM 1100 CD PRO A 71 6.471 9.831 -15.522 1.00 0.87 C ATOM 0 HA PRO A 71 7.463 6.813 -15.369 1.00 0.77 H new ATOM 0 HB2 PRO A 71 8.780 8.313 -17.309 1.00 0.85 H new ATOM 0 HB3 PRO A 71 7.164 7.659 -17.483 1.00 0.85 H new ATOM 0 HG2 PRO A 71 7.996 10.478 -16.919 1.00 0.91 H new ATOM 0 HG3 PRO A 71 6.532 9.897 -17.688 1.00 0.91 H new ATOM 0 HD2 PRO A 71 6.654 10.798 -15.053 1.00 0.87 H new ATOM 0 HD3 PRO A 71 5.395 9.748 -15.672 1.00 0.87 H new ATOM 1108 N LYS A 72 9.855 6.594 -14.903 1.00 0.71 N ATOM 1109 CA LYS A 72 11.138 6.270 -14.280 1.00 0.75 C ATOM 1110 C LYS A 72 11.213 6.376 -12.744 1.00 0.76 C ATOM 1111 O LYS A 72 12.242 6.106 -12.124 1.00 0.83 O ATOM 1112 CB LYS A 72 12.221 7.058 -15.007 1.00 0.81 C ATOM 1113 CG LYS A 72 13.204 6.067 -15.595 1.00 1.78 C ATOM 1114 CD LYS A 72 12.724 5.129 -16.719 1.00 1.21 C ATOM 1115 CE LYS A 72 12.022 5.826 -17.891 1.00 1.38 C ATOM 1116 NZ LYS A 72 11.712 4.859 -18.969 1.00 1.35 N ATOM 0 H LYS A 72 9.460 5.803 -15.411 1.00 0.71 H new ATOM 0 HA LYS A 72 11.294 5.198 -14.404 1.00 0.75 H new ATOM 0 HB2 LYS A 72 11.783 7.672 -15.793 1.00 0.81 H new ATOM 0 HB3 LYS A 72 12.727 7.735 -14.319 1.00 0.81 H new ATOM 0 HG2 LYS A 72 14.055 6.632 -15.976 1.00 1.78 H new ATOM 0 HG3 LYS A 72 13.574 5.445 -14.780 1.00 1.78 H new ATOM 0 HD2 LYS A 72 13.583 4.580 -17.105 1.00 1.21 H new ATOM 0 HD3 LYS A 72 12.042 4.394 -16.292 1.00 1.21 H new ATOM 0 HE2 LYS A 72 11.102 6.296 -17.542 1.00 1.38 H new ATOM 0 HE3 LYS A 72 12.658 6.621 -18.281 1.00 1.38 H new ATOM 0 HZ1 LYS A 72 11.743 5.343 -19.889 1.00 1.35 H new ATOM 0 HZ2 LYS A 72 12.413 4.091 -18.958 1.00 1.35 H new ATOM 0 HZ3 LYS A 72 10.762 4.463 -18.818 1.00 1.35 H new ATOM 1130 N GLY A 73 10.095 6.735 -12.131 1.00 0.75 N ATOM 1131 CA GLY A 73 9.917 6.998 -10.711 1.00 0.81 C ATOM 1132 C GLY A 73 9.787 5.717 -9.909 1.00 0.71 C ATOM 1133 O GLY A 73 8.791 5.006 -9.996 1.00 0.87 O ATOM 0 H GLY A 73 9.226 6.859 -12.651 1.00 0.75 H new ATOM 0 HA2 GLY A 73 10.765 7.574 -10.340 1.00 0.81 H new ATOM 0 HA3 GLY A 73 9.027 7.610 -10.564 1.00 0.81 H new ATOM 1137 N ARG A 74 10.790 5.503 -9.068 1.00 1.00 N ATOM 1138 CA ARG A 74 10.659 4.748 -7.819 1.00 1.07 C ATOM 1139 C ARG A 74 10.090 5.666 -6.731 1.00 1.09 C ATOM 1140 O ARG A 74 10.537 6.803 -6.619 1.00 1.25 O ATOM 1141 CB ARG A 74 12.026 4.160 -7.402 1.00 1.33 C ATOM 1142 CG ARG A 74 12.047 3.675 -5.942 1.00 1.55 C ATOM 1143 CD ARG A 74 13.367 3.023 -5.513 1.00 1.77 C ATOM 1144 NE ARG A 74 13.475 3.026 -4.044 1.00 3.11 N ATOM 1145 CZ ARG A 74 13.856 2.058 -3.223 1.00 3.85 C ATOM 1146 NH1 ARG A 74 14.218 0.861 -3.622 1.00 3.57 N ATOM 1147 NH2 ARG A 74 13.862 2.317 -1.942 1.00 5.45 N ATOM 0 H ARG A 74 11.734 5.853 -9.233 1.00 1.00 H new ATOM 0 HA ARG A 74 9.973 3.913 -7.964 1.00 1.07 H new ATOM 0 HB2 ARG A 74 12.274 3.327 -8.060 1.00 1.33 H new ATOM 0 HB3 ARG A 74 12.799 4.916 -7.540 1.00 1.33 H new ATOM 0 HG2 ARG A 74 11.844 4.522 -5.287 1.00 1.55 H new ATOM 0 HG3 ARG A 74 11.238 2.959 -5.797 1.00 1.55 H new ATOM 0 HD2 ARG A 74 13.416 2.001 -5.888 1.00 1.77 H new ATOM 0 HD3 ARG A 74 14.208 3.563 -5.949 1.00 1.77 H new ATOM 0 HE ARG A 74 13.218 3.903 -3.591 1.00 3.11 H new ATOM 0 HH11 ARG A 74 14.216 0.633 -4.616 1.00 3.57 H new ATOM 0 HH12 ARG A 74 14.501 0.159 -2.938 1.00 3.57 H new ATOM 0 HH21 ARG A 74 13.580 3.238 -1.607 1.00 5.45 H new ATOM 0 HH22 ARG A 74 14.149 1.598 -1.278 1.00 5.45 H new ATOM 1161 N VAL A 75 9.178 5.149 -5.910 1.00 1.07 N ATOM 1162 CA VAL A 75 8.671 5.784 -4.678 1.00 1.18 C ATOM 1163 C VAL A 75 8.237 4.711 -3.673 1.00 1.02 C ATOM 1164 O VAL A 75 7.499 3.798 -4.032 1.00 1.15 O ATOM 1165 CB VAL A 75 7.485 6.755 -4.936 1.00 1.48 C ATOM 1166 CG1 VAL A 75 7.916 8.071 -5.603 1.00 1.78 C ATOM 1167 CG2 VAL A 75 6.360 6.121 -5.775 1.00 1.57 C ATOM 0 H VAL A 75 8.750 4.240 -6.085 1.00 1.07 H new ATOM 0 HA VAL A 75 9.493 6.375 -4.274 1.00 1.18 H new ATOM 0 HB VAL A 75 7.102 6.976 -3.940 1.00 1.48 H new ATOM 0 HG11 VAL A 75 7.042 8.705 -5.756 1.00 1.78 H new ATOM 0 HG12 VAL A 75 8.631 8.587 -4.962 1.00 1.78 H new ATOM 0 HG13 VAL A 75 8.381 7.856 -6.565 1.00 1.78 H new ATOM 0 HG21 VAL A 75 5.561 6.848 -5.921 1.00 1.57 H new ATOM 0 HG22 VAL A 75 6.756 5.817 -6.744 1.00 1.57 H new ATOM 0 HG23 VAL A 75 5.966 5.248 -5.255 1.00 1.57 H new ATOM 1177 N GLU A 76 8.680 4.800 -2.418 1.00 1.26 N ATOM 1178 CA GLU A 76 8.274 3.857 -1.364 1.00 1.10 C ATOM 1179 C GLU A 76 7.024 4.346 -0.628 1.00 1.10 C ATOM 1180 O GLU A 76 7.001 5.470 -0.117 1.00 1.21 O ATOM 1181 CB GLU A 76 9.390 3.573 -0.335 1.00 1.24 C ATOM 1182 CG GLU A 76 10.816 3.450 -0.896 1.00 1.93 C ATOM 1183 CD GLU A 76 11.442 4.785 -1.313 1.00 2.57 C ATOM 1184 OE1 GLU A 76 10.909 5.848 -0.915 1.00 3.23 O ATOM 1185 OE2 GLU A 76 12.426 4.726 -2.083 1.00 3.31 O ATOM 0 H GLU A 76 9.327 5.522 -2.100 1.00 1.26 H new ATOM 0 HA GLU A 76 8.055 2.923 -1.882 1.00 1.10 H new ATOM 0 HB2 GLU A 76 9.382 4.371 0.408 1.00 1.24 H new ATOM 0 HB3 GLU A 76 9.147 2.648 0.188 1.00 1.24 H new ATOM 0 HG2 GLU A 76 11.452 2.982 -0.144 1.00 1.93 H new ATOM 0 HG3 GLU A 76 10.799 2.784 -1.758 1.00 1.93 H new ATOM 1192 N LEU A 77 6.022 3.474 -0.482 1.00 1.05 N ATOM 1193 CA LEU A 77 4.961 3.644 0.510 1.00 1.11 C ATOM 1194 C LEU A 77 5.564 3.430 1.904 1.00 1.21 C ATOM 1195 O LEU A 77 6.254 2.447 2.167 1.00 1.76 O ATOM 1196 CB LEU A 77 3.772 2.699 0.242 1.00 1.10 C ATOM 1197 CG LEU A 77 2.807 3.192 -0.860 1.00 1.05 C ATOM 1198 CD1 LEU A 77 3.375 3.030 -2.281 1.00 0.97 C ATOM 1199 CD2 LEU A 77 1.471 2.440 -0.749 1.00 1.11 C ATOM 0 H LEU A 77 5.925 2.631 -1.049 1.00 1.05 H new ATOM 0 HA LEU A 77 4.557 4.654 0.444 1.00 1.11 H new ATOM 0 HB2 LEU A 77 4.157 1.719 -0.040 1.00 1.10 H new ATOM 0 HB3 LEU A 77 3.212 2.567 1.168 1.00 1.10 H new ATOM 0 HG LEU A 77 2.662 4.260 -0.698 1.00 1.05 H new ATOM 0 HD11 LEU A 77 2.648 3.395 -3.007 1.00 0.97 H new ATOM 0 HD12 LEU A 77 4.298 3.603 -2.372 1.00 0.97 H new ATOM 0 HD13 LEU A 77 3.582 1.977 -2.472 1.00 0.97 H new ATOM 0 HD21 LEU A 77 0.792 2.789 -1.527 1.00 1.11 H new ATOM 0 HD22 LEU A 77 1.644 1.371 -0.871 1.00 1.11 H new ATOM 0 HD23 LEU A 77 1.029 2.627 0.230 1.00 1.11 H new ATOM 1211 N LYS A 78 5.308 4.386 2.795 1.00 1.11 N ATOM 1212 CA LYS A 78 5.977 4.548 4.084 1.00 1.18 C ATOM 1213 C LYS A 78 4.980 5.035 5.166 1.00 1.24 C ATOM 1214 O LYS A 78 4.137 5.874 4.857 1.00 1.28 O ATOM 1215 CB LYS A 78 7.199 5.480 3.892 1.00 1.19 C ATOM 1216 CG LYS A 78 6.937 6.770 3.076 1.00 1.15 C ATOM 1217 CD LYS A 78 8.170 7.690 2.980 1.00 1.43 C ATOM 1218 CE LYS A 78 9.360 7.100 2.194 1.00 1.93 C ATOM 1219 NZ LYS A 78 9.131 7.055 0.726 1.00 2.95 N ATOM 0 H LYS A 78 4.598 5.100 2.631 1.00 1.11 H new ATOM 0 HA LYS A 78 6.348 3.591 4.450 1.00 1.18 H new ATOM 0 HB2 LYS A 78 7.575 5.764 4.875 1.00 1.19 H new ATOM 0 HB3 LYS A 78 7.990 4.915 3.400 1.00 1.19 H new ATOM 0 HG2 LYS A 78 6.616 6.497 2.071 1.00 1.15 H new ATOM 0 HG3 LYS A 78 6.116 7.321 3.534 1.00 1.15 H new ATOM 0 HD2 LYS A 78 7.871 8.627 2.509 1.00 1.43 H new ATOM 0 HD3 LYS A 78 8.504 7.933 3.989 1.00 1.43 H new ATOM 0 HE2 LYS A 78 10.251 7.694 2.398 1.00 1.93 H new ATOM 0 HE3 LYS A 78 9.560 6.091 2.555 1.00 1.93 H new ATOM 0 HZ1 LYS A 78 9.903 6.528 0.270 1.00 2.95 H new ATOM 0 HZ2 LYS A 78 8.226 6.581 0.530 1.00 2.95 H new ATOM 0 HZ3 LYS A 78 9.103 8.024 0.349 1.00 2.95 H new ATOM 1233 N PRO A 79 5.059 4.538 6.422 1.00 1.27 N ATOM 1234 CA PRO A 79 4.049 4.782 7.460 1.00 1.30 C ATOM 1235 C PRO A 79 3.978 6.241 7.943 1.00 1.43 C ATOM 1236 O PRO A 79 2.963 6.629 8.515 1.00 1.81 O ATOM 1237 CB PRO A 79 4.393 3.816 8.600 1.00 1.16 C ATOM 1238 CG PRO A 79 5.893 3.586 8.437 1.00 1.23 C ATOM 1239 CD PRO A 79 6.074 3.619 6.921 1.00 1.28 C ATOM 0 HA PRO A 79 3.052 4.607 7.056 1.00 1.30 H new ATOM 0 HB2 PRO A 79 4.157 4.245 9.574 1.00 1.16 H new ATOM 0 HB3 PRO A 79 3.833 2.884 8.518 1.00 1.16 H new ATOM 0 HG2 PRO A 79 6.478 4.361 8.932 1.00 1.23 H new ATOM 0 HG3 PRO A 79 6.205 2.632 8.862 1.00 1.23 H new ATOM 0 HD2 PRO A 79 7.075 3.958 6.654 1.00 1.28 H new ATOM 0 HD3 PRO A 79 5.949 2.626 6.490 1.00 1.28 H new ATOM 1247 N GLY A 80 5.005 7.054 7.669 1.00 1.35 N ATOM 1248 CA GLY A 80 4.876 8.506 7.535 1.00 1.37 C ATOM 1249 C GLY A 80 4.928 8.855 6.051 1.00 1.19 C ATOM 1250 O GLY A 80 6.013 8.863 5.468 1.00 1.23 O ATOM 0 H GLY A 80 5.958 6.717 7.533 1.00 1.35 H new ATOM 0 HA2 GLY A 80 3.937 8.846 7.973 1.00 1.37 H new ATOM 0 HA3 GLY A 80 5.679 9.010 8.072 1.00 1.37 H new ATOM 1254 N GLY A 81 3.758 9.083 5.448 1.00 1.36 N ATOM 1255 CA GLY A 81 3.557 9.274 4.009 1.00 1.19 C ATOM 1256 C GLY A 81 2.262 8.642 3.495 1.00 1.07 C ATOM 1257 O GLY A 81 1.257 9.328 3.351 1.00 1.10 O ATOM 0 H GLY A 81 2.886 9.142 5.973 1.00 1.36 H new ATOM 0 HA2 GLY A 81 3.546 10.341 3.788 1.00 1.19 H new ATOM 0 HA3 GLY A 81 4.402 8.846 3.470 1.00 1.19 H new ATOM 1261 N TYR A 82 2.299 7.348 3.163 1.00 1.03 N ATOM 1262 CA TYR A 82 1.247 6.606 2.448 1.00 0.97 C ATOM 1263 C TYR A 82 1.322 5.106 2.752 1.00 1.01 C ATOM 1264 O TYR A 82 2.412 4.547 2.864 1.00 1.03 O ATOM 1265 CB TYR A 82 1.376 6.811 0.930 1.00 0.93 C ATOM 1266 CG TYR A 82 1.395 8.261 0.487 1.00 0.89 C ATOM 1267 CD1 TYR A 82 0.189 8.965 0.302 1.00 1.78 C ATOM 1268 CD2 TYR A 82 2.630 8.912 0.304 1.00 1.89 C ATOM 1269 CE1 TYR A 82 0.218 10.331 -0.041 1.00 1.83 C ATOM 1270 CE2 TYR A 82 2.665 10.276 -0.032 1.00 1.85 C ATOM 1271 CZ TYR A 82 1.457 10.992 -0.202 1.00 0.90 C ATOM 1272 OH TYR A 82 1.489 12.315 -0.516 1.00 0.94 O ATOM 0 H TYR A 82 3.099 6.759 3.395 1.00 1.03 H new ATOM 0 HA TYR A 82 0.288 6.993 2.792 1.00 0.97 H new ATOM 0 HB2 TYR A 82 2.292 6.329 0.588 1.00 0.93 H new ATOM 0 HB3 TYR A 82 0.546 6.305 0.437 1.00 0.93 H new ATOM 0 HD1 TYR A 82 -0.757 8.458 0.423 1.00 1.78 H new ATOM 0 HD2 TYR A 82 3.552 8.362 0.422 1.00 1.89 H new ATOM 0 HE1 TYR A 82 -0.706 10.873 -0.181 1.00 1.83 H new ATOM 0 HE2 TYR A 82 3.613 10.777 -0.160 1.00 1.85 H new ATOM 0 HH TYR A 82 2.420 12.612 -0.588 1.00 0.94 H new ATOM 1282 N HIS A 83 0.185 4.424 2.841 1.00 1.02 N ATOM 1283 CA HIS A 83 0.121 3.002 3.194 1.00 1.05 C ATOM 1284 C HIS A 83 -1.222 2.395 2.764 1.00 1.01 C ATOM 1285 O HIS A 83 -2.201 3.125 2.618 1.00 1.05 O ATOM 1286 CB HIS A 83 0.364 2.839 4.709 1.00 1.09 C ATOM 1287 CG HIS A 83 -0.657 3.532 5.584 1.00 1.00 C ATOM 1288 ND1 HIS A 83 -0.665 4.863 5.959 1.00 1.05 N ATOM 1289 CD2 HIS A 83 -1.761 2.950 6.151 1.00 0.95 C ATOM 1290 CE1 HIS A 83 -1.755 5.074 6.710 1.00 1.01 C ATOM 1291 NE2 HIS A 83 -2.445 3.936 6.870 1.00 0.93 N ATOM 0 H HIS A 83 -0.729 4.843 2.669 1.00 1.02 H new ATOM 0 HA HIS A 83 0.901 2.459 2.660 1.00 1.05 H new ATOM 0 HB2 HIS A 83 0.371 1.776 4.951 1.00 1.09 H new ATOM 0 HB3 HIS A 83 1.354 3.227 4.950 1.00 1.09 H new ATOM 0 HD2 HIS A 83 -2.051 1.914 6.059 1.00 0.95 H new ATOM 0 HE1 HIS A 83 -2.038 6.029 7.128 1.00 1.01 H new ATOM 0 HE2 HIS A 83 -3.301 3.813 7.410 1.00 0.93 H new ATOM 1299 N PHE A 84 -1.288 1.070 2.593 1.00 0.98 N ATOM 1300 CA PHE A 84 -2.560 0.371 2.387 1.00 0.95 C ATOM 1301 C PHE A 84 -3.111 -0.156 3.712 1.00 0.90 C ATOM 1302 O PHE A 84 -2.390 -0.827 4.448 1.00 1.06 O ATOM 1303 CB PHE A 84 -2.377 -0.812 1.430 1.00 1.00 C ATOM 1304 CG PHE A 84 -2.244 -0.466 -0.037 1.00 0.93 C ATOM 1305 CD1 PHE A 84 -3.359 0.023 -0.745 1.00 1.83 C ATOM 1306 CD2 PHE A 84 -1.037 -0.715 -0.717 1.00 1.95 C ATOM 1307 CE1 PHE A 84 -3.290 0.188 -2.137 1.00 1.82 C ATOM 1308 CE2 PHE A 84 -0.951 -0.495 -2.102 1.00 1.89 C ATOM 1309 CZ PHE A 84 -2.082 -0.052 -2.811 1.00 0.79 C ATOM 0 H PHE A 84 -0.471 0.459 2.593 1.00 0.98 H new ATOM 0 HA PHE A 84 -3.261 1.087 1.959 1.00 0.95 H new ATOM 0 HB2 PHE A 84 -1.488 -1.365 1.734 1.00 1.00 H new ATOM 0 HB3 PHE A 84 -3.227 -1.484 1.548 1.00 1.00 H new ATOM 0 HD1 PHE A 84 -4.268 0.271 -0.216 1.00 1.83 H new ATOM 0 HD2 PHE A 84 -0.176 -1.076 -0.174 1.00 1.95 H new ATOM 0 HE1 PHE A 84 -4.165 0.499 -2.689 1.00 1.82 H new ATOM 0 HE2 PHE A 84 -0.019 -0.666 -2.621 1.00 1.89 H new ATOM 0 HZ PHE A 84 -2.021 0.104 -3.878 1.00 0.79 H new ATOM 1319 N MET A 85 -4.398 0.075 3.962 1.00 0.70 N ATOM 1320 CA MET A 85 -5.208 -0.627 4.962 1.00 0.60 C ATOM 1321 C MET A 85 -5.876 -1.849 4.327 1.00 0.60 C ATOM 1322 O MET A 85 -6.374 -1.777 3.201 1.00 0.80 O ATOM 1323 CB MET A 85 -6.253 0.333 5.557 1.00 0.64 C ATOM 1324 CG MET A 85 -5.684 1.179 6.704 1.00 0.83 C ATOM 1325 SD MET A 85 -5.421 0.255 8.245 1.00 0.93 S ATOM 1326 CE MET A 85 -3.628 0.060 8.197 1.00 0.74 C ATOM 0 H MET A 85 -4.928 0.784 3.455 1.00 0.70 H new ATOM 0 HA MET A 85 -4.566 -0.974 5.772 1.00 0.60 H new ATOM 0 HB2 MET A 85 -6.625 0.992 4.773 1.00 0.64 H new ATOM 0 HB3 MET A 85 -7.105 -0.242 5.921 1.00 0.64 H new ATOM 0 HG2 MET A 85 -4.736 1.612 6.386 1.00 0.83 H new ATOM 0 HG3 MET A 85 -6.363 2.008 6.901 1.00 0.83 H new ATOM 0 HE1 MET A 85 -3.362 -0.945 8.524 1.00 0.74 H new ATOM 0 HE2 MET A 85 -3.272 0.216 7.179 1.00 0.74 H new ATOM 0 HE3 MET A 85 -3.165 0.791 8.859 1.00 0.74 H new ATOM 1336 N LEU A 86 -5.869 -2.971 5.050 1.00 0.48 N ATOM 1337 CA LEU A 86 -6.470 -4.243 4.650 1.00 0.50 C ATOM 1338 C LEU A 86 -7.447 -4.686 5.739 1.00 0.49 C ATOM 1339 O LEU A 86 -7.068 -4.771 6.905 1.00 0.67 O ATOM 1340 CB LEU A 86 -5.375 -5.321 4.476 1.00 0.65 C ATOM 1341 CG LEU A 86 -4.482 -5.255 3.217 1.00 0.88 C ATOM 1342 CD1 LEU A 86 -5.289 -5.103 1.918 1.00 2.91 C ATOM 1343 CD2 LEU A 86 -3.413 -4.157 3.287 1.00 1.76 C ATOM 0 H LEU A 86 -5.426 -3.019 5.968 1.00 0.48 H new ATOM 0 HA LEU A 86 -6.991 -4.116 3.701 1.00 0.50 H new ATOM 0 HB2 LEU A 86 -4.724 -5.279 5.349 1.00 0.65 H new ATOM 0 HB3 LEU A 86 -5.862 -6.296 4.488 1.00 0.65 H new ATOM 0 HG LEU A 86 -3.974 -6.219 3.198 1.00 0.88 H new ATOM 0 HD11 LEU A 86 -4.607 -5.062 1.069 1.00 2.91 H new ATOM 0 HD12 LEU A 86 -5.960 -5.955 1.804 1.00 2.91 H new ATOM 0 HD13 LEU A 86 -5.874 -4.184 1.958 1.00 2.91 H new ATOM 0 HD21 LEU A 86 -2.822 -4.166 2.371 1.00 1.76 H new ATOM 0 HD22 LEU A 86 -3.896 -3.186 3.398 1.00 1.76 H new ATOM 0 HD23 LEU A 86 -2.761 -4.338 4.142 1.00 1.76 H new ATOM 1355 N LEU A 87 -8.693 -4.973 5.365 1.00 0.53 N ATOM 1356 CA LEU A 87 -9.788 -5.321 6.272 1.00 0.63 C ATOM 1357 C LEU A 87 -10.496 -6.594 5.796 1.00 0.66 C ATOM 1358 O LEU A 87 -10.590 -6.849 4.593 1.00 0.96 O ATOM 1359 CB LEU A 87 -10.762 -4.124 6.351 1.00 0.74 C ATOM 1360 CG LEU A 87 -10.988 -3.603 7.781 1.00 1.41 C ATOM 1361 CD1 LEU A 87 -11.681 -2.234 7.720 1.00 1.25 C ATOM 1362 CD2 LEU A 87 -11.849 -4.572 8.605 1.00 3.28 C ATOM 0 H LEU A 87 -8.979 -4.970 4.386 1.00 0.53 H new ATOM 0 HA LEU A 87 -9.398 -5.527 7.269 1.00 0.63 H new ATOM 0 HB2 LEU A 87 -10.376 -3.312 5.735 1.00 0.74 H new ATOM 0 HB3 LEU A 87 -11.721 -4.419 5.926 1.00 0.74 H new ATOM 0 HG LEU A 87 -10.016 -3.515 8.267 1.00 1.41 H new ATOM 0 HD11 LEU A 87 -11.842 -1.862 8.732 1.00 1.25 H new ATOM 0 HD12 LEU A 87 -11.053 -1.532 7.172 1.00 1.25 H new ATOM 0 HD13 LEU A 87 -12.641 -2.334 7.213 1.00 1.25 H new ATOM 0 HD21 LEU A 87 -11.988 -4.172 9.609 1.00 3.28 H new ATOM 0 HD22 LEU A 87 -12.820 -4.694 8.125 1.00 3.28 H new ATOM 0 HD23 LEU A 87 -11.351 -5.540 8.666 1.00 3.28 H new ATOM 1374 N GLY A 88 -11.004 -7.398 6.733 1.00 0.62 N ATOM 1375 CA GLY A 88 -11.650 -8.681 6.428 1.00 0.78 C ATOM 1376 C GLY A 88 -10.620 -9.741 6.041 1.00 0.82 C ATOM 1377 O GLY A 88 -10.667 -10.252 4.919 1.00 1.38 O ATOM 0 H GLY A 88 -10.980 -7.178 7.729 1.00 0.62 H new ATOM 0 HA2 GLY A 88 -12.217 -9.021 7.295 1.00 0.78 H new ATOM 0 HA3 GLY A 88 -12.362 -8.548 5.614 1.00 0.78 H new ATOM 1381 N LEU A 89 -9.655 -10.021 6.931 1.00 0.63 N ATOM 1382 CA LEU A 89 -8.546 -10.936 6.637 1.00 0.61 C ATOM 1383 C LEU A 89 -9.057 -12.365 6.423 1.00 0.68 C ATOM 1384 O LEU A 89 -9.669 -12.960 7.306 1.00 0.87 O ATOM 1385 CB LEU A 89 -7.436 -10.883 7.702 1.00 0.70 C ATOM 1386 CG LEU A 89 -6.867 -9.485 8.016 1.00 0.58 C ATOM 1387 CD1 LEU A 89 -5.553 -9.640 8.790 1.00 0.80 C ATOM 1388 CD2 LEU A 89 -6.615 -8.595 6.786 1.00 0.78 C ATOM 0 H LEU A 89 -9.623 -9.621 7.869 1.00 0.63 H new ATOM 0 HA LEU A 89 -8.091 -10.597 5.706 1.00 0.61 H new ATOM 0 HB2 LEU A 89 -7.825 -11.311 8.626 1.00 0.70 H new ATOM 0 HB3 LEU A 89 -6.616 -11.522 7.376 1.00 0.70 H new ATOM 0 HG LEU A 89 -7.634 -8.979 8.602 1.00 0.58 H new ATOM 0 HD11 LEU A 89 -5.145 -8.655 9.015 1.00 0.80 H new ATOM 0 HD12 LEU A 89 -5.740 -10.177 9.720 1.00 0.80 H new ATOM 0 HD13 LEU A 89 -4.839 -10.199 8.186 1.00 0.80 H new ATOM 0 HD21 LEU A 89 -6.215 -7.633 7.108 1.00 0.78 H new ATOM 0 HD22 LEU A 89 -5.898 -9.082 6.125 1.00 0.78 H new ATOM 0 HD23 LEU A 89 -7.552 -8.438 6.252 1.00 0.78 H new ATOM 1400 N LYS A 90 -8.805 -12.933 5.241 1.00 0.73 N ATOM 1401 CA LYS A 90 -9.392 -14.219 4.834 1.00 0.86 C ATOM 1402 C LYS A 90 -8.735 -15.442 5.499 1.00 1.04 C ATOM 1403 O LYS A 90 -9.228 -16.560 5.354 1.00 1.25 O ATOM 1404 CB LYS A 90 -9.358 -14.353 3.303 1.00 0.94 C ATOM 1405 CG LYS A 90 -10.064 -13.194 2.574 1.00 0.85 C ATOM 1406 CD LYS A 90 -10.608 -13.645 1.209 1.00 1.22 C ATOM 1407 CE LYS A 90 -11.566 -12.611 0.597 1.00 1.37 C ATOM 1408 NZ LYS A 90 -10.883 -11.622 -0.261 1.00 2.16 N ATOM 0 H LYS A 90 -8.191 -12.519 4.539 1.00 0.73 H new ATOM 0 HA LYS A 90 -10.424 -14.210 5.184 1.00 0.86 H new ATOM 0 HB2 LYS A 90 -8.320 -14.403 2.973 1.00 0.94 H new ATOM 0 HB3 LYS A 90 -9.829 -15.293 3.017 1.00 0.94 H new ATOM 0 HG2 LYS A 90 -10.882 -12.819 3.189 1.00 0.85 H new ATOM 0 HG3 LYS A 90 -9.365 -12.369 2.435 1.00 0.85 H new ATOM 0 HD2 LYS A 90 -9.776 -13.816 0.526 1.00 1.22 H new ATOM 0 HD3 LYS A 90 -11.127 -14.597 1.323 1.00 1.22 H new ATOM 0 HE2 LYS A 90 -12.324 -13.130 0.010 1.00 1.37 H new ATOM 0 HE3 LYS A 90 -12.087 -12.088 1.399 1.00 1.37 H new ATOM 0 HZ1 LYS A 90 -11.567 -10.904 -0.575 1.00 2.16 H new ATOM 0 HZ2 LYS A 90 -10.121 -11.163 0.278 1.00 2.16 H new ATOM 0 HZ3 LYS A 90 -10.480 -12.102 -1.091 1.00 2.16 H new ATOM 1422 N ARG A 91 -7.607 -15.243 6.193 1.00 1.15 N ATOM 1423 CA ARG A 91 -6.772 -16.266 6.839 1.00 1.38 C ATOM 1424 C ARG A 91 -5.623 -15.600 7.614 1.00 1.28 C ATOM 1425 O ARG A 91 -5.106 -14.594 7.128 1.00 1.35 O ATOM 1426 CB ARG A 91 -6.249 -17.314 5.824 1.00 2.04 C ATOM 1427 CG ARG A 91 -5.608 -16.781 4.520 1.00 1.90 C ATOM 1428 CD ARG A 91 -4.111 -16.449 4.595 1.00 1.94 C ATOM 1429 NE ARG A 91 -3.294 -17.663 4.747 1.00 2.43 N ATOM 1430 CZ ARG A 91 -1.969 -17.699 4.819 1.00 3.55 C ATOM 1431 NH1 ARG A 91 -1.226 -16.621 4.724 1.00 4.52 N ATOM 1432 NH2 ARG A 91 -1.350 -18.843 4.972 1.00 4.38 N ATOM 0 H ARG A 91 -7.229 -14.305 6.327 1.00 1.15 H new ATOM 0 HA ARG A 91 -7.394 -16.811 7.549 1.00 1.38 H new ATOM 0 HB2 ARG A 91 -5.513 -17.937 6.332 1.00 2.04 H new ATOM 0 HB3 ARG A 91 -7.081 -17.963 5.550 1.00 2.04 H new ATOM 0 HG2 ARG A 91 -5.757 -17.523 3.735 1.00 1.90 H new ATOM 0 HG3 ARG A 91 -6.145 -15.883 4.215 1.00 1.90 H new ATOM 0 HD2 ARG A 91 -3.810 -15.918 3.692 1.00 1.94 H new ATOM 0 HD3 ARG A 91 -3.928 -15.779 5.435 1.00 1.94 H new ATOM 0 HE ARG A 91 -3.788 -18.554 4.802 1.00 2.43 H new ATOM 0 HH11 ARG A 91 -1.664 -15.710 4.589 1.00 4.52 H new ATOM 0 HH12 ARG A 91 -0.210 -16.695 4.785 1.00 4.52 H new ATOM 0 HH21 ARG A 91 -1.886 -19.708 5.036 1.00 4.38 H new ATOM 0 HH22 ARG A 91 -0.332 -18.869 5.027 1.00 4.38 H new ATOM 1446 N PRO A 92 -5.193 -16.147 8.771 1.00 1.38 N ATOM 1447 CA PRO A 92 -3.986 -15.702 9.457 1.00 1.55 C ATOM 1448 C PRO A 92 -2.746 -16.119 8.655 1.00 1.86 C ATOM 1449 O PRO A 92 -2.785 -17.085 7.892 1.00 2.13 O ATOM 1450 CB PRO A 92 -4.033 -16.368 10.837 1.00 1.63 C ATOM 1451 CG PRO A 92 -4.786 -17.668 10.564 1.00 1.64 C ATOM 1452 CD PRO A 92 -5.788 -17.276 9.477 1.00 1.49 C ATOM 0 HA PRO A 92 -3.932 -14.618 9.557 1.00 1.55 H new ATOM 0 HB2 PRO A 92 -3.033 -16.555 11.229 1.00 1.63 H new ATOM 0 HB3 PRO A 92 -4.551 -15.747 11.568 1.00 1.63 H new ATOM 0 HG2 PRO A 92 -4.115 -18.458 10.226 1.00 1.64 H new ATOM 0 HG3 PRO A 92 -5.288 -18.037 11.459 1.00 1.64 H new ATOM 0 HD2 PRO A 92 -5.972 -18.108 8.797 1.00 1.49 H new ATOM 0 HD3 PRO A 92 -6.749 -17.002 9.912 1.00 1.49 H new ATOM 1460 N LEU A 93 -1.653 -15.372 8.828 1.00 2.08 N ATOM 1461 CA LEU A 93 -0.435 -15.464 8.020 1.00 2.33 C ATOM 1462 C LEU A 93 0.728 -16.070 8.827 1.00 2.40 C ATOM 1463 O LEU A 93 0.701 -16.096 10.059 1.00 2.78 O ATOM 1464 CB LEU A 93 -0.061 -14.063 7.483 1.00 2.47 C ATOM 1465 CG LEU A 93 -1.064 -13.338 6.555 1.00 2.31 C ATOM 1466 CD1 LEU A 93 -2.257 -12.680 7.270 1.00 2.03 C ATOM 1467 CD2 LEU A 93 -0.304 -12.226 5.817 1.00 2.80 C ATOM 0 H LEU A 93 -1.590 -14.663 9.559 1.00 2.08 H new ATOM 0 HA LEU A 93 -0.626 -16.129 7.178 1.00 2.33 H new ATOM 0 HB2 LEU A 93 0.123 -13.417 8.341 1.00 2.47 H new ATOM 0 HB3 LEU A 93 0.882 -14.155 6.945 1.00 2.47 H new ATOM 0 HG LEU A 93 -1.477 -14.105 5.899 1.00 2.31 H new ATOM 0 HD11 LEU A 93 -2.901 -12.198 6.535 1.00 2.03 H new ATOM 0 HD12 LEU A 93 -2.824 -13.441 7.807 1.00 2.03 H new ATOM 0 HD13 LEU A 93 -1.892 -11.934 7.976 1.00 2.03 H new ATOM 0 HD21 LEU A 93 -0.988 -11.696 5.154 1.00 2.80 H new ATOM 0 HD22 LEU A 93 0.112 -11.527 6.542 1.00 2.80 H new ATOM 0 HD23 LEU A 93 0.503 -12.664 5.231 1.00 2.80 H new ATOM 1479 N LYS A 94 1.769 -16.550 8.146 1.00 2.26 N ATOM 1480 CA LYS A 94 3.017 -17.022 8.765 1.00 2.33 C ATOM 1481 C LYS A 94 4.202 -16.133 8.372 1.00 2.06 C ATOM 1482 O LYS A 94 4.521 -15.964 7.198 1.00 2.36 O ATOM 1483 CB LYS A 94 3.301 -18.492 8.380 1.00 2.71 C ATOM 1484 CG LYS A 94 2.767 -19.550 9.349 1.00 2.53 C ATOM 1485 CD LYS A 94 1.268 -19.395 9.625 1.00 2.74 C ATOM 1486 CE LYS A 94 0.656 -20.657 10.243 1.00 3.73 C ATOM 1487 NZ LYS A 94 1.278 -20.993 11.546 1.00 5.00 N ATOM 0 H LYS A 94 1.773 -16.625 7.129 1.00 2.26 H new ATOM 0 HA LYS A 94 2.890 -16.964 9.846 1.00 2.33 H new ATOM 0 HB2 LYS A 94 2.872 -18.679 7.395 1.00 2.71 H new ATOM 0 HB3 LYS A 94 4.379 -18.622 8.288 1.00 2.71 H new ATOM 0 HG2 LYS A 94 2.956 -20.542 8.938 1.00 2.53 H new ATOM 0 HG3 LYS A 94 3.314 -19.485 10.289 1.00 2.53 H new ATOM 0 HD2 LYS A 94 1.110 -18.551 10.297 1.00 2.74 H new ATOM 0 HD3 LYS A 94 0.752 -19.162 8.694 1.00 2.74 H new ATOM 0 HE2 LYS A 94 -0.416 -20.511 10.379 1.00 3.73 H new ATOM 0 HE3 LYS A 94 0.779 -21.494 9.556 1.00 3.73 H new ATOM 0 HZ1 LYS A 94 0.802 -21.823 11.954 1.00 5.00 H new ATOM 0 HZ2 LYS A 94 2.286 -21.207 11.405 1.00 5.00 H new ATOM 0 HZ3 LYS A 94 1.183 -20.185 12.194 1.00 5.00 H new ATOM 1501 N ALA A 95 4.927 -15.649 9.381 1.00 1.79 N ATOM 1502 CA ALA A 95 6.244 -15.044 9.166 1.00 1.62 C ATOM 1503 C ALA A 95 7.190 -16.073 8.512 1.00 1.67 C ATOM 1504 O ALA A 95 7.432 -17.136 9.081 1.00 1.84 O ATOM 1505 CB ALA A 95 6.769 -14.505 10.500 1.00 1.53 C ATOM 0 H ALA A 95 4.626 -15.664 10.355 1.00 1.79 H new ATOM 0 HA ALA A 95 6.178 -14.201 8.478 1.00 1.62 H new ATOM 0 HB1 ALA A 95 7.749 -14.053 10.349 1.00 1.53 H new ATOM 0 HB2 ALA A 95 6.079 -13.755 10.886 1.00 1.53 H new ATOM 0 HB3 ALA A 95 6.853 -15.323 11.215 1.00 1.53 H new ATOM 1511 N GLY A 96 7.654 -15.767 7.294 1.00 1.68 N ATOM 1512 CA GLY A 96 8.353 -16.704 6.402 1.00 1.83 C ATOM 1513 C GLY A 96 7.555 -17.121 5.157 1.00 1.99 C ATOM 1514 O GLY A 96 8.138 -17.746 4.277 1.00 2.60 O ATOM 0 H GLY A 96 7.551 -14.836 6.890 1.00 1.68 H new ATOM 0 HA2 GLY A 96 9.290 -16.248 6.081 1.00 1.83 H new ATOM 0 HA3 GLY A 96 8.611 -17.599 6.968 1.00 1.83 H new ATOM 1518 N GLU A 97 6.268 -16.769 5.047 1.00 1.72 N ATOM 1519 CA GLU A 97 5.531 -16.776 3.779 1.00 1.65 C ATOM 1520 C GLU A 97 5.874 -15.520 2.967 1.00 1.52 C ATOM 1521 O GLU A 97 6.297 -14.496 3.517 1.00 1.37 O ATOM 1522 CB GLU A 97 4.007 -16.786 4.024 1.00 1.72 C ATOM 1523 CG GLU A 97 3.490 -18.078 4.665 1.00 2.41 C ATOM 1524 CD GLU A 97 2.001 -18.027 5.040 1.00 1.96 C ATOM 1525 OE1 GLU A 97 1.441 -16.943 5.324 1.00 2.19 O ATOM 1526 OE2 GLU A 97 1.368 -19.103 5.125 1.00 2.79 O ATOM 0 H GLU A 97 5.705 -16.469 5.843 1.00 1.72 H new ATOM 0 HA GLU A 97 5.819 -17.676 3.235 1.00 1.65 H new ATOM 0 HB2 GLU A 97 3.746 -15.944 4.665 1.00 1.72 H new ATOM 0 HB3 GLU A 97 3.495 -16.633 3.074 1.00 1.72 H new ATOM 0 HG2 GLU A 97 3.654 -18.906 3.976 1.00 2.41 H new ATOM 0 HG3 GLU A 97 4.074 -18.288 5.561 1.00 2.41 H new ATOM 1533 N GLU A 98 5.595 -15.581 1.665 1.00 1.71 N ATOM 1534 CA GLU A 98 5.340 -14.403 0.845 1.00 1.47 C ATOM 1535 C GLU A 98 3.867 -14.379 0.430 1.00 1.40 C ATOM 1536 O GLU A 98 3.196 -15.409 0.401 1.00 1.78 O ATOM 1537 CB GLU A 98 6.227 -14.366 -0.405 1.00 2.00 C ATOM 1538 CG GLU A 98 7.728 -14.288 -0.105 1.00 2.90 C ATOM 1539 CD GLU A 98 8.411 -13.412 -1.148 1.00 4.13 C ATOM 1540 OE1 GLU A 98 8.765 -13.942 -2.222 1.00 4.51 O ATOM 1541 OE2 GLU A 98 8.521 -12.193 -0.884 1.00 5.33 O ATOM 0 H GLU A 98 5.540 -16.458 1.148 1.00 1.71 H new ATOM 0 HA GLU A 98 5.579 -13.524 1.444 1.00 1.47 H new ATOM 0 HB2 GLU A 98 6.033 -15.257 -1.002 1.00 2.00 H new ATOM 0 HB3 GLU A 98 5.944 -13.507 -1.013 1.00 2.00 H new ATOM 0 HG2 GLU A 98 7.889 -13.878 0.892 1.00 2.90 H new ATOM 0 HG3 GLU A 98 8.163 -15.287 -0.113 1.00 2.90 H new ATOM 1548 N VAL A 99 3.366 -13.190 0.105 1.00 1.10 N ATOM 1549 CA VAL A 99 1.993 -12.928 -0.331 1.00 1.11 C ATOM 1550 C VAL A 99 2.041 -12.237 -1.691 1.00 0.94 C ATOM 1551 O VAL A 99 2.669 -11.188 -1.825 1.00 0.87 O ATOM 1552 CB VAL A 99 1.269 -12.052 0.720 1.00 1.17 C ATOM 1553 CG1 VAL A 99 -0.057 -11.463 0.208 1.00 1.26 C ATOM 1554 CG2 VAL A 99 0.984 -12.892 1.978 1.00 1.55 C ATOM 0 H VAL A 99 3.931 -12.342 0.139 1.00 1.10 H new ATOM 0 HA VAL A 99 1.436 -13.860 -0.426 1.00 1.11 H new ATOM 0 HB VAL A 99 1.933 -11.217 0.943 1.00 1.17 H new ATOM 0 HG11 VAL A 99 -0.514 -10.860 0.992 1.00 1.26 H new ATOM 0 HG12 VAL A 99 0.135 -10.839 -0.665 1.00 1.26 H new ATOM 0 HG13 VAL A 99 -0.733 -12.273 -0.067 1.00 1.26 H new ATOM 0 HG21 VAL A 99 0.474 -12.276 2.719 1.00 1.55 H new ATOM 0 HG22 VAL A 99 0.352 -13.740 1.714 1.00 1.55 H new ATOM 0 HG23 VAL A 99 1.924 -13.256 2.393 1.00 1.55 H new ATOM 1564 N GLU A 100 1.349 -12.807 -2.681 1.00 1.07 N ATOM 1565 CA GLU A 100 1.080 -12.139 -3.957 1.00 1.08 C ATOM 1566 C GLU A 100 -0.004 -11.063 -3.780 1.00 0.87 C ATOM 1567 O GLU A 100 -0.947 -11.218 -2.991 1.00 1.00 O ATOM 1568 CB GLU A 100 0.624 -13.124 -5.045 1.00 1.48 C ATOM 1569 CG GLU A 100 1.702 -14.105 -5.537 1.00 1.93 C ATOM 1570 CD GLU A 100 1.278 -14.782 -6.846 1.00 2.46 C ATOM 1571 OE1 GLU A 100 0.057 -14.907 -7.099 1.00 2.34 O ATOM 1572 OE2 GLU A 100 2.136 -15.075 -7.711 1.00 3.91 O ATOM 0 H GLU A 100 0.958 -13.747 -2.620 1.00 1.07 H new ATOM 0 HA GLU A 100 2.018 -11.684 -4.276 1.00 1.08 H new ATOM 0 HB2 GLU A 100 -0.219 -13.699 -4.661 1.00 1.48 H new ATOM 0 HB3 GLU A 100 0.259 -12.553 -5.899 1.00 1.48 H new ATOM 0 HG2 GLU A 100 2.641 -13.572 -5.687 1.00 1.93 H new ATOM 0 HG3 GLU A 100 1.884 -14.863 -4.775 1.00 1.93 H new ATOM 1579 N LEU A 101 0.123 -9.972 -4.538 1.00 0.79 N ATOM 1580 CA LEU A 101 -0.735 -8.802 -4.435 1.00 0.68 C ATOM 1581 C LEU A 101 -0.762 -8.035 -5.758 1.00 0.73 C ATOM 1582 O LEU A 101 0.291 -7.670 -6.279 1.00 0.87 O ATOM 1583 CB LEU A 101 -0.239 -7.983 -3.230 1.00 0.76 C ATOM 1584 CG LEU A 101 -0.928 -6.691 -2.813 1.00 1.00 C ATOM 1585 CD1 LEU A 101 -0.295 -6.194 -1.514 1.00 1.40 C ATOM 1586 CD2 LEU A 101 -0.788 -5.599 -3.869 1.00 1.87 C ATOM 0 H LEU A 101 0.843 -9.881 -5.255 1.00 0.79 H new ATOM 0 HA LEU A 101 -1.777 -9.069 -4.257 1.00 0.68 H new ATOM 0 HB2 LEU A 101 -0.258 -8.647 -2.365 1.00 0.76 H new ATOM 0 HB3 LEU A 101 0.806 -7.738 -3.421 1.00 0.76 H new ATOM 0 HG LEU A 101 -1.989 -6.904 -2.685 1.00 1.00 H new ATOM 0 HD11 LEU A 101 -0.780 -5.268 -1.204 1.00 1.40 H new ATOM 0 HD12 LEU A 101 -0.421 -6.947 -0.736 1.00 1.40 H new ATOM 0 HD13 LEU A 101 0.768 -6.011 -1.674 1.00 1.40 H new ATOM 0 HD21 LEU A 101 -1.295 -4.696 -3.528 1.00 1.87 H new ATOM 0 HD22 LEU A 101 0.268 -5.383 -4.031 1.00 1.87 H new ATOM 0 HD23 LEU A 101 -1.237 -5.936 -4.803 1.00 1.87 H new ATOM 1598 N ASP A 102 -1.974 -7.791 -6.258 1.00 0.70 N ATOM 1599 CA ASP A 102 -2.316 -7.135 -7.526 1.00 0.72 C ATOM 1600 C ASP A 102 -2.502 -5.621 -7.360 1.00 0.70 C ATOM 1601 O ASP A 102 -3.477 -5.172 -6.762 1.00 0.81 O ATOM 1602 CB ASP A 102 -3.602 -7.781 -8.077 1.00 0.79 C ATOM 1603 CG ASP A 102 -3.322 -8.812 -9.176 1.00 1.20 C ATOM 1604 OD1 ASP A 102 -2.594 -8.472 -10.137 1.00 2.48 O ATOM 1605 OD2 ASP A 102 -3.828 -9.945 -9.023 1.00 1.61 O ATOM 0 H ASP A 102 -2.812 -8.069 -5.747 1.00 0.70 H new ATOM 0 HA ASP A 102 -1.492 -7.273 -8.226 1.00 0.72 H new ATOM 0 HB2 ASP A 102 -4.140 -8.263 -7.261 1.00 0.79 H new ATOM 0 HB3 ASP A 102 -4.254 -7.002 -8.473 1.00 0.79 H new ATOM 1610 N LEU A 103 -1.581 -4.817 -7.895 1.00 0.65 N ATOM 1611 CA LEU A 103 -1.607 -3.354 -7.847 1.00 0.62 C ATOM 1612 C LEU A 103 -2.506 -2.800 -8.961 1.00 0.62 C ATOM 1613 O LEU A 103 -2.223 -2.994 -10.144 1.00 0.69 O ATOM 1614 CB LEU A 103 -0.167 -2.833 -7.997 1.00 0.66 C ATOM 1615 CG LEU A 103 0.807 -3.305 -6.898 1.00 0.77 C ATOM 1616 CD1 LEU A 103 2.237 -2.940 -7.313 1.00 1.08 C ATOM 1617 CD2 LEU A 103 0.471 -2.676 -5.536 1.00 1.14 C ATOM 0 H LEU A 103 -0.767 -5.180 -8.391 1.00 0.65 H new ATOM 0 HA LEU A 103 -2.017 -3.020 -6.894 1.00 0.62 H new ATOM 0 HB2 LEU A 103 0.220 -3.148 -8.966 1.00 0.66 H new ATOM 0 HB3 LEU A 103 -0.188 -1.743 -8.001 1.00 0.66 H new ATOM 0 HG LEU A 103 0.713 -4.385 -6.788 1.00 0.77 H new ATOM 0 HD11 LEU A 103 2.935 -3.269 -6.543 1.00 1.08 H new ATOM 0 HD12 LEU A 103 2.479 -3.431 -8.256 1.00 1.08 H new ATOM 0 HD13 LEU A 103 2.316 -1.860 -7.436 1.00 1.08 H new ATOM 0 HD21 LEU A 103 1.178 -3.032 -4.787 1.00 1.14 H new ATOM 0 HD22 LEU A 103 0.537 -1.591 -5.610 1.00 1.14 H new ATOM 0 HD23 LEU A 103 -0.540 -2.959 -5.244 1.00 1.14 H new ATOM 1629 N LEU A 104 -3.567 -2.077 -8.581 1.00 0.58 N ATOM 1630 CA LEU A 104 -4.567 -1.548 -9.510 1.00 0.62 C ATOM 1631 C LEU A 104 -4.144 -0.155 -9.979 1.00 0.66 C ATOM 1632 O LEU A 104 -4.193 0.820 -9.219 1.00 0.61 O ATOM 1633 CB LEU A 104 -5.973 -1.485 -8.870 1.00 0.63 C ATOM 1634 CG LEU A 104 -6.454 -2.717 -8.089 1.00 0.66 C ATOM 1635 CD1 LEU A 104 -7.898 -2.498 -7.615 1.00 0.68 C ATOM 1636 CD2 LEU A 104 -6.361 -4.022 -8.886 1.00 0.70 C ATOM 0 H LEU A 104 -3.755 -1.841 -7.607 1.00 0.58 H new ATOM 0 HA LEU A 104 -4.625 -2.226 -10.362 1.00 0.62 H new ATOM 0 HB2 LEU A 104 -5.997 -0.629 -8.196 1.00 0.63 H new ATOM 0 HB3 LEU A 104 -6.694 -1.287 -9.663 1.00 0.63 H new ATOM 0 HG LEU A 104 -5.783 -2.827 -7.237 1.00 0.66 H new ATOM 0 HD11 LEU A 104 -8.236 -3.374 -7.061 1.00 0.68 H new ATOM 0 HD12 LEU A 104 -7.940 -1.622 -6.968 1.00 0.68 H new ATOM 0 HD13 LEU A 104 -8.545 -2.343 -8.479 1.00 0.68 H new ATOM 0 HD21 LEU A 104 -6.717 -4.849 -8.272 1.00 0.70 H new ATOM 0 HD22 LEU A 104 -6.975 -3.945 -9.783 1.00 0.70 H new ATOM 0 HD23 LEU A 104 -5.324 -4.201 -9.171 1.00 0.70 H new ATOM 1648 N PHE A 105 -3.781 -0.031 -11.253 1.00 0.84 N ATOM 1649 CA PHE A 105 -3.401 1.238 -11.854 1.00 0.86 C ATOM 1650 C PHE A 105 -4.453 1.662 -12.880 1.00 0.86 C ATOM 1651 O PHE A 105 -4.740 0.922 -13.821 1.00 1.14 O ATOM 1652 CB PHE A 105 -2.045 1.102 -12.544 1.00 0.97 C ATOM 1653 CG PHE A 105 -0.889 0.627 -11.691 1.00 0.88 C ATOM 1654 CD1 PHE A 105 -0.271 1.483 -10.764 1.00 2.26 C ATOM 1655 CD2 PHE A 105 -0.428 -0.694 -11.839 1.00 1.84 C ATOM 1656 CE1 PHE A 105 0.813 1.015 -10.000 1.00 2.15 C ATOM 1657 CE2 PHE A 105 0.644 -1.168 -11.074 1.00 1.97 C ATOM 1658 CZ PHE A 105 1.275 -0.307 -10.155 1.00 0.88 C ATOM 0 H PHE A 105 -3.743 -0.818 -11.901 1.00 0.84 H new ATOM 0 HA PHE A 105 -3.333 1.993 -11.071 1.00 0.86 H new ATOM 0 HB2 PHE A 105 -2.157 0.411 -13.379 1.00 0.97 H new ATOM 0 HB3 PHE A 105 -1.780 2.072 -12.966 1.00 0.97 H new ATOM 0 HD1 PHE A 105 -0.627 2.495 -10.639 1.00 2.26 H new ATOM 0 HD2 PHE A 105 -0.907 -1.350 -12.551 1.00 1.84 H new ATOM 0 HE1 PHE A 105 1.294 1.672 -9.291 1.00 2.15 H new ATOM 0 HE2 PHE A 105 0.985 -2.186 -11.188 1.00 1.97 H new ATOM 0 HZ PHE A 105 2.112 -0.660 -9.570 1.00 0.88 H new ATOM 1668 N ALA A 106 -4.998 2.869 -12.691 1.00 0.73 N ATOM 1669 CA ALA A 106 -6.053 3.480 -13.509 1.00 0.75 C ATOM 1670 C ALA A 106 -7.185 2.494 -13.882 1.00 1.71 C ATOM 1671 O ALA A 106 -7.678 2.486 -15.008 1.00 2.32 O ATOM 1672 CB ALA A 106 -5.393 4.179 -14.708 1.00 1.29 C ATOM 0 H ALA A 106 -4.701 3.476 -11.927 1.00 0.73 H new ATOM 0 HA ALA A 106 -6.578 4.235 -12.924 1.00 0.75 H new ATOM 0 HB1 ALA A 106 -6.161 4.640 -15.329 1.00 1.29 H new ATOM 0 HB2 ALA A 106 -4.708 4.947 -14.349 1.00 1.29 H new ATOM 0 HB3 ALA A 106 -4.841 3.447 -15.298 1.00 1.29 H new ATOM 1678 N GLY A 107 -7.544 1.605 -12.946 1.00 2.72 N ATOM 1679 CA GLY A 107 -8.455 0.482 -13.169 1.00 3.88 C ATOM 1680 C GLY A 107 -7.781 -0.664 -13.924 1.00 3.52 C ATOM 1681 O GLY A 107 -7.515 -1.710 -13.339 1.00 4.62 O ATOM 0 H GLY A 107 -7.197 1.651 -11.988 1.00 2.72 H new ATOM 0 HA2 GLY A 107 -8.822 0.117 -12.210 1.00 3.88 H new ATOM 0 HA3 GLY A 107 -9.323 0.826 -13.732 1.00 3.88 H new ATOM 1685 N GLY A 108 -7.545 -0.481 -15.229 1.00 2.24 N ATOM 1686 CA GLY A 108 -7.279 -1.574 -16.177 1.00 1.99 C ATOM 1687 C GLY A 108 -5.891 -2.210 -16.085 1.00 1.79 C ATOM 1688 O GLY A 108 -5.747 -3.406 -16.345 1.00 2.46 O ATOM 0 H GLY A 108 -7.533 0.442 -15.663 1.00 2.24 H new ATOM 0 HA2 GLY A 108 -8.026 -2.353 -16.024 1.00 1.99 H new ATOM 0 HA3 GLY A 108 -7.418 -1.194 -17.189 1.00 1.99 H new ATOM 1692 N LYS A 109 -4.846 -1.477 -15.687 1.00 1.14 N ATOM 1693 CA LYS A 109 -3.524 -2.075 -15.476 1.00 1.04 C ATOM 1694 C LYS A 109 -3.481 -2.677 -14.064 1.00 1.10 C ATOM 1695 O LYS A 109 -3.056 -2.018 -13.129 1.00 1.78 O ATOM 1696 CB LYS A 109 -2.458 -1.004 -15.758 1.00 0.90 C ATOM 1697 CG LYS A 109 -0.998 -1.430 -15.539 1.00 2.25 C ATOM 1698 CD LYS A 109 -0.029 -0.239 -15.602 1.00 3.71 C ATOM 1699 CE LYS A 109 1.386 -0.637 -15.152 1.00 4.97 C ATOM 1700 NZ LYS A 109 2.044 -1.565 -16.105 1.00 6.39 N ATOM 0 H LYS A 109 -4.889 -0.474 -15.505 1.00 1.14 H new ATOM 0 HA LYS A 109 -3.316 -2.898 -16.160 1.00 1.04 H new ATOM 0 HB2 LYS A 109 -2.568 -0.674 -16.791 1.00 0.90 H new ATOM 0 HB3 LYS A 109 -2.662 -0.141 -15.124 1.00 0.90 H new ATOM 0 HG2 LYS A 109 -0.906 -1.920 -14.570 1.00 2.25 H new ATOM 0 HG3 LYS A 109 -0.718 -2.164 -16.295 1.00 2.25 H new ATOM 0 HD2 LYS A 109 0.008 0.148 -16.620 1.00 3.71 H new ATOM 0 HD3 LYS A 109 -0.400 0.567 -14.968 1.00 3.71 H new ATOM 0 HE2 LYS A 109 1.995 0.260 -15.044 1.00 4.97 H new ATOM 0 HE3 LYS A 109 1.333 -1.107 -14.170 1.00 4.97 H new ATOM 0 HZ1 LYS A 109 2.995 -1.803 -15.757 1.00 6.39 H new ATOM 0 HZ2 LYS A 109 1.479 -2.434 -16.190 1.00 6.39 H new ATOM 0 HZ3 LYS A 109 2.120 -1.109 -17.037 1.00 6.39 H new ATOM 1714 N VAL A 110 -3.927 -3.914 -13.919 1.00 1.02 N ATOM 1715 CA VAL A 110 -3.834 -4.707 -12.681 1.00 1.05 C ATOM 1716 C VAL A 110 -2.663 -5.697 -12.791 1.00 1.19 C ATOM 1717 O VAL A 110 -2.706 -6.621 -13.602 1.00 1.67 O ATOM 1718 CB VAL A 110 -5.189 -5.361 -12.316 1.00 1.12 C ATOM 1719 CG1 VAL A 110 -5.954 -5.924 -13.524 1.00 1.46 C ATOM 1720 CG2 VAL A 110 -5.050 -6.419 -11.219 1.00 1.13 C ATOM 0 H VAL A 110 -4.381 -4.420 -14.679 1.00 1.02 H new ATOM 0 HA VAL A 110 -3.614 -4.050 -11.840 1.00 1.05 H new ATOM 0 HB VAL A 110 -5.792 -4.543 -11.923 1.00 1.12 H new ATOM 0 HG11 VAL A 110 -6.892 -6.365 -13.187 1.00 1.46 H new ATOM 0 HG12 VAL A 110 -6.164 -5.120 -14.229 1.00 1.46 H new ATOM 0 HG13 VAL A 110 -5.349 -6.687 -14.014 1.00 1.46 H new ATOM 0 HG21 VAL A 110 -6.028 -6.847 -11.000 1.00 1.13 H new ATOM 0 HG22 VAL A 110 -4.377 -7.207 -11.557 1.00 1.13 H new ATOM 0 HG23 VAL A 110 -4.646 -5.958 -10.318 1.00 1.13 H new ATOM 1730 N LEU A 111 -1.575 -5.410 -12.060 1.00 0.85 N ATOM 1731 CA LEU A 111 -0.297 -6.132 -12.103 1.00 0.89 C ATOM 1732 C LEU A 111 0.102 -6.606 -10.705 1.00 0.81 C ATOM 1733 O LEU A 111 0.297 -5.778 -9.811 1.00 0.94 O ATOM 1734 CB LEU A 111 0.811 -5.170 -12.569 1.00 1.02 C ATOM 1735 CG LEU A 111 0.994 -4.914 -14.071 1.00 1.36 C ATOM 1736 CD1 LEU A 111 1.890 -5.980 -14.713 1.00 3.12 C ATOM 1737 CD2 LEU A 111 -0.289 -4.768 -14.886 1.00 2.37 C ATOM 0 H LEU A 111 -1.563 -4.636 -11.396 1.00 0.85 H new ATOM 0 HA LEU A 111 -0.413 -6.981 -12.777 1.00 0.89 H new ATOM 0 HB2 LEU A 111 0.632 -4.207 -12.091 1.00 1.02 H new ATOM 0 HB3 LEU A 111 1.758 -5.547 -12.182 1.00 1.02 H new ATOM 0 HG LEU A 111 1.473 -3.935 -14.105 1.00 1.36 H new ATOM 0 HD11 LEU A 111 2.000 -5.770 -15.777 1.00 3.12 H new ATOM 0 HD12 LEU A 111 2.871 -5.966 -14.237 1.00 3.12 H new ATOM 0 HD13 LEU A 111 1.437 -6.963 -14.582 1.00 3.12 H new ATOM 0 HD21 LEU A 111 -0.038 -4.590 -15.932 1.00 2.37 H new ATOM 0 HD22 LEU A 111 -0.878 -5.682 -14.804 1.00 2.37 H new ATOM 0 HD23 LEU A 111 -0.869 -3.928 -14.504 1.00 2.37 H new ATOM 1749 N LYS A 112 0.370 -7.902 -10.538 1.00 0.93 N ATOM 1750 CA LYS A 112 0.841 -8.413 -9.256 1.00 1.11 C ATOM 1751 C LYS A 112 2.348 -8.273 -9.003 1.00 1.13 C ATOM 1752 O LYS A 112 3.189 -8.544 -9.860 1.00 1.33 O ATOM 1753 CB LYS A 112 0.312 -9.817 -8.934 1.00 1.55 C ATOM 1754 CG LYS A 112 0.637 -10.901 -9.966 1.00 1.54 C ATOM 1755 CD LYS A 112 0.328 -12.269 -9.346 1.00 1.56 C ATOM 1756 CE LYS A 112 0.377 -13.382 -10.396 1.00 2.07 C ATOM 1757 NZ LYS A 112 0.381 -14.709 -9.740 1.00 2.80 N ATOM 0 H LYS A 112 0.270 -8.608 -11.267 1.00 0.93 H new ATOM 0 HA LYS A 112 0.390 -7.734 -8.532 1.00 1.11 H new ATOM 0 HB2 LYS A 112 0.717 -10.126 -7.970 1.00 1.55 H new ATOM 0 HB3 LYS A 112 -0.771 -9.761 -8.822 1.00 1.55 H new ATOM 0 HG2 LYS A 112 0.047 -10.753 -10.870 1.00 1.54 H new ATOM 0 HG3 LYS A 112 1.686 -10.845 -10.257 1.00 1.54 H new ATOM 0 HD2 LYS A 112 1.046 -12.482 -8.554 1.00 1.56 H new ATOM 0 HD3 LYS A 112 -0.659 -12.246 -8.884 1.00 1.56 H new ATOM 0 HE2 LYS A 112 -0.482 -13.301 -11.062 1.00 2.07 H new ATOM 0 HE3 LYS A 112 1.269 -13.271 -11.012 1.00 2.07 H new ATOM 0 HZ1 LYS A 112 -0.003 -15.421 -10.394 1.00 2.80 H new ATOM 0 HZ2 LYS A 112 1.355 -14.966 -9.482 1.00 2.80 H new ATOM 0 HZ3 LYS A 112 -0.207 -14.674 -8.883 1.00 2.80 H new ATOM 1771 N VAL A 113 2.657 -7.905 -7.763 1.00 1.08 N ATOM 1772 CA VAL A 113 3.957 -8.081 -7.099 1.00 1.06 C ATOM 1773 C VAL A 113 3.853 -9.217 -6.072 1.00 0.96 C ATOM 1774 O VAL A 113 2.751 -9.672 -5.763 1.00 0.93 O ATOM 1775 CB VAL A 113 4.448 -6.777 -6.423 1.00 1.12 C ATOM 1776 CG1 VAL A 113 4.752 -5.704 -7.479 1.00 1.34 C ATOM 1777 CG2 VAL A 113 3.469 -6.226 -5.370 1.00 1.30 C ATOM 0 H VAL A 113 1.974 -7.451 -7.156 1.00 1.08 H new ATOM 0 HA VAL A 113 4.695 -8.339 -7.859 1.00 1.06 H new ATOM 0 HB VAL A 113 5.362 -7.037 -5.890 1.00 1.12 H new ATOM 0 HG11 VAL A 113 5.096 -4.795 -6.986 1.00 1.34 H new ATOM 0 HG12 VAL A 113 5.528 -6.067 -8.153 1.00 1.34 H new ATOM 0 HG13 VAL A 113 3.848 -5.488 -8.049 1.00 1.34 H new ATOM 0 HG21 VAL A 113 3.876 -5.312 -4.937 1.00 1.30 H new ATOM 0 HG22 VAL A 113 2.511 -6.008 -5.842 1.00 1.30 H new ATOM 0 HG23 VAL A 113 3.325 -6.967 -4.584 1.00 1.30 H new ATOM 1787 N VAL A 114 4.994 -9.651 -5.535 1.00 1.02 N ATOM 1788 CA VAL A 114 5.102 -10.601 -4.421 1.00 0.96 C ATOM 1789 C VAL A 114 5.983 -9.973 -3.335 1.00 1.00 C ATOM 1790 O VAL A 114 6.944 -9.271 -3.661 1.00 1.16 O ATOM 1791 CB VAL A 114 5.634 -11.968 -4.911 1.00 1.14 C ATOM 1792 CG1 VAL A 114 7.060 -11.909 -5.490 1.00 1.98 C ATOM 1793 CG2 VAL A 114 5.540 -13.026 -3.809 1.00 1.73 C ATOM 0 H VAL A 114 5.904 -9.340 -5.875 1.00 1.02 H new ATOM 0 HA VAL A 114 4.119 -10.802 -3.994 1.00 0.96 H new ATOM 0 HB VAL A 114 4.984 -12.257 -5.737 1.00 1.14 H new ATOM 0 HG11 VAL A 114 7.363 -12.905 -5.812 1.00 1.98 H new ATOM 0 HG12 VAL A 114 7.079 -11.230 -6.343 1.00 1.98 H new ATOM 0 HG13 VAL A 114 7.749 -11.550 -4.725 1.00 1.98 H new ATOM 0 HG21 VAL A 114 5.921 -13.976 -4.183 1.00 1.73 H new ATOM 0 HG22 VAL A 114 6.132 -12.710 -2.950 1.00 1.73 H new ATOM 0 HG23 VAL A 114 4.499 -13.146 -3.508 1.00 1.73 H new ATOM 1803 N LEU A 115 5.595 -10.150 -2.065 1.00 0.93 N ATOM 1804 CA LEU A 115 6.192 -9.490 -0.894 1.00 0.98 C ATOM 1805 C LEU A 115 6.170 -10.429 0.337 1.00 0.94 C ATOM 1806 O LEU A 115 5.173 -11.140 0.507 1.00 1.02 O ATOM 1807 CB LEU A 115 5.367 -8.226 -0.554 1.00 1.05 C ATOM 1808 CG LEU A 115 5.211 -7.152 -1.653 1.00 1.23 C ATOM 1809 CD1 LEU A 115 4.202 -6.095 -1.184 1.00 1.56 C ATOM 1810 CD2 LEU A 115 6.541 -6.462 -1.985 1.00 1.71 C ATOM 0 H LEU A 115 4.831 -10.778 -1.815 1.00 0.93 H new ATOM 0 HA LEU A 115 7.224 -9.232 -1.131 1.00 0.98 H new ATOM 0 HB2 LEU A 115 4.369 -8.547 -0.255 1.00 1.05 H new ATOM 0 HB3 LEU A 115 5.823 -7.752 0.315 1.00 1.05 H new ATOM 0 HG LEU A 115 4.861 -7.652 -2.556 1.00 1.23 H new ATOM 0 HD11 LEU A 115 4.087 -5.334 -1.956 1.00 1.56 H new ATOM 0 HD12 LEU A 115 3.239 -6.569 -0.996 1.00 1.56 H new ATOM 0 HD13 LEU A 115 4.562 -5.630 -0.266 1.00 1.56 H new ATOM 0 HD21 LEU A 115 6.379 -5.716 -2.763 1.00 1.71 H new ATOM 0 HD22 LEU A 115 6.932 -5.976 -1.091 1.00 1.71 H new ATOM 0 HD23 LEU A 115 7.258 -7.204 -2.337 1.00 1.71 H new ATOM 1822 N PRO A 116 7.171 -10.388 1.237 1.00 0.90 N ATOM 1823 CA PRO A 116 7.247 -11.239 2.423 1.00 0.91 C ATOM 1824 C PRO A 116 6.224 -10.885 3.510 1.00 0.84 C ATOM 1825 O PRO A 116 5.739 -9.754 3.604 1.00 0.85 O ATOM 1826 CB PRO A 116 8.682 -11.087 2.944 1.00 0.98 C ATOM 1827 CG PRO A 116 9.068 -9.684 2.483 1.00 0.97 C ATOM 1828 CD PRO A 116 8.389 -9.603 1.120 1.00 0.93 C ATOM 0 HA PRO A 116 7.003 -12.267 2.156 1.00 0.91 H new ATOM 0 HB2 PRO A 116 8.730 -11.183 4.029 1.00 0.98 H new ATOM 0 HB3 PRO A 116 9.345 -11.845 2.528 1.00 0.98 H new ATOM 0 HG2 PRO A 116 8.706 -8.916 3.166 1.00 0.97 H new ATOM 0 HG3 PRO A 116 10.149 -9.561 2.409 1.00 0.97 H new ATOM 0 HD2 PRO A 116 8.164 -8.570 0.856 1.00 0.93 H new ATOM 0 HD3 PRO A 116 9.036 -9.999 0.337 1.00 0.93 H new ATOM 1836 N VAL A 117 5.946 -11.864 4.376 1.00 0.96 N ATOM 1837 CA VAL A 117 5.153 -11.714 5.595 1.00 1.02 C ATOM 1838 C VAL A 117 6.045 -11.477 6.824 1.00 1.01 C ATOM 1839 O VAL A 117 6.996 -12.219 7.076 1.00 1.12 O ATOM 1840 CB VAL A 117 4.285 -12.968 5.804 1.00 1.23 C ATOM 1841 CG1 VAL A 117 3.517 -12.906 7.126 1.00 1.44 C ATOM 1842 CG2 VAL A 117 3.277 -13.118 4.655 1.00 1.36 C ATOM 0 H VAL A 117 6.281 -12.818 4.240 1.00 0.96 H new ATOM 0 HA VAL A 117 4.513 -10.840 5.479 1.00 1.02 H new ATOM 0 HB VAL A 117 4.958 -13.825 5.827 1.00 1.23 H new ATOM 0 HG11 VAL A 117 2.915 -13.808 7.240 1.00 1.44 H new ATOM 0 HG12 VAL A 117 4.223 -12.834 7.954 1.00 1.44 H new ATOM 0 HG13 VAL A 117 2.865 -12.032 7.128 1.00 1.44 H new ATOM 0 HG21 VAL A 117 2.671 -14.009 4.817 1.00 1.36 H new ATOM 0 HG22 VAL A 117 2.631 -12.241 4.621 1.00 1.36 H new ATOM 0 HG23 VAL A 117 3.813 -13.211 3.710 1.00 1.36 H new ATOM 1852 N GLU A 118 5.651 -10.499 7.645 1.00 1.10 N ATOM 1853 CA GLU A 118 6.188 -10.198 8.981 1.00 1.40 C ATOM 1854 C GLU A 118 5.090 -9.524 9.837 1.00 1.58 C ATOM 1855 O GLU A 118 3.938 -9.461 9.407 1.00 1.88 O ATOM 1856 CB GLU A 118 7.465 -9.346 8.873 1.00 1.66 C ATOM 1857 CG GLU A 118 7.230 -8.065 8.071 1.00 2.45 C ATOM 1858 CD GLU A 118 8.166 -6.954 8.518 1.00 2.76 C ATOM 1859 OE1 GLU A 118 9.383 -7.077 8.258 1.00 2.67 O ATOM 1860 OE2 GLU A 118 7.623 -5.997 9.119 1.00 4.08 O ATOM 0 H GLU A 118 4.904 -9.856 7.382 1.00 1.10 H new ATOM 0 HA GLU A 118 6.477 -11.122 9.482 1.00 1.40 H new ATOM 0 HB2 GLU A 118 7.816 -9.089 9.873 1.00 1.66 H new ATOM 0 HB3 GLU A 118 8.253 -9.931 8.399 1.00 1.66 H new ATOM 0 HG2 GLU A 118 7.380 -8.265 7.010 1.00 2.45 H new ATOM 0 HG3 GLU A 118 6.196 -7.743 8.191 1.00 2.45 H new ATOM 1867 N ALA A 119 5.406 -9.021 11.038 1.00 1.69 N ATOM 1868 CA ALA A 119 4.447 -8.387 11.948 1.00 2.01 C ATOM 1869 C ALA A 119 4.966 -7.019 12.426 1.00 1.94 C ATOM 1870 O ALA A 119 6.064 -6.927 12.972 1.00 2.02 O ATOM 1871 CB ALA A 119 4.174 -9.342 13.117 1.00 2.71 C ATOM 0 H ALA A 119 6.355 -9.045 11.410 1.00 1.69 H new ATOM 0 HA ALA A 119 3.509 -8.195 11.427 1.00 2.01 H new ATOM 0 HB1 ALA A 119 3.462 -8.883 13.803 1.00 2.71 H new ATOM 0 HB2 ALA A 119 3.761 -10.276 12.735 1.00 2.71 H new ATOM 0 HB3 ALA A 119 5.105 -9.547 13.645 1.00 2.71 H new ATOM 1877 N ARG A 120 4.159 -5.970 12.222 1.00 2.38 N ATOM 1878 CA ARG A 120 4.572 -4.552 12.267 1.00 2.37 C ATOM 1879 C ARG A 120 3.447 -3.619 12.741 1.00 2.79 C ATOM 1880 O ARG A 120 3.778 -2.602 13.389 1.00 2.72 O ATOM 1881 CB ARG A 120 5.142 -4.178 10.866 1.00 2.57 C ATOM 1882 CG ARG A 120 6.507 -3.448 10.869 1.00 2.63 C ATOM 1883 CD ARG A 120 6.427 -1.921 10.761 1.00 3.89 C ATOM 1884 NE ARG A 120 5.619 -1.376 11.849 1.00 5.29 N ATOM 1885 CZ ARG A 120 5.266 -0.150 12.125 1.00 6.97 C ATOM 1886 NH1 ARG A 120 5.743 0.876 11.482 1.00 7.69 N ATOM 1887 NH2 ARG A 120 4.384 0.027 13.060 1.00 8.40 N ATOM 1888 OXT ARG A 120 2.269 -3.872 12.415 1.00 3.77 O ATOM 0 H ARG A 120 3.167 -6.083 12.014 1.00 2.38 H new ATOM 0 HA ARG A 120 5.352 -4.416 13.017 1.00 2.37 H new ATOM 0 HB2 ARG A 120 5.240 -5.091 10.279 1.00 2.57 H new ATOM 0 HB3 ARG A 120 4.415 -3.547 10.355 1.00 2.57 H new ATOM 0 HG2 ARG A 120 7.037 -3.705 11.786 1.00 2.63 H new ATOM 0 HG3 ARG A 120 7.105 -3.825 10.039 1.00 2.63 H new ATOM 0 HD2 ARG A 120 7.430 -1.495 10.795 1.00 3.89 H new ATOM 0 HD3 ARG A 120 5.993 -1.640 9.801 1.00 3.89 H new ATOM 0 HE ARG A 120 5.271 -2.074 12.506 1.00 5.29 H new ATOM 0 HH11 ARG A 120 6.419 0.738 10.731 1.00 7.69 H new ATOM 0 HH12 ARG A 120 5.441 1.818 11.729 1.00 7.69 H new ATOM 0 HH21 ARG A 120 3.992 -0.777 13.550 1.00 8.40 H new ATOM 0 HH22 ARG A 120 4.082 0.970 13.305 1.00 8.40 H new TER 1902 ARG A 120