USER MOD reduce.3.24.130724 H: found=0, std=0, add=972, rem=0, adj=20 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 HE2:sc= 0 X(o=-1.1,f=-1.5) USER MOD Set 1.2: A 85 MET CE :methyl -156:sc= -1.07 (180deg=-1.64) USER MOD Set 2.1: A 48 THR OG1 : rot 173:sc= 1.24 USER MOD Set 2.2: A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Set 3.1: A 4 THR OG1 : rot 163:sc= 1.23 USER MOD Set 3.2: A 21 THR OG1 : rot 77:sc= 1.2 USER MOD Single : A 1 GLY N :NH3+ -159:sc= 0.858 (180deg=0.573) USER MOD Single : A 2 SER OG : rot -92:sc= 0.463 USER MOD Single : A 11 SER OG : rot 21:sc= 1.24 USER MOD Single : A 15 ASN : amide:sc= -0.0788 K(o=-0.079,f=-2.2!) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 24 ASN : amide:sc= -0.649 K(o=-0.65,f=-4.9!) USER MOD Single : A 37 THR OG1 : rot 171:sc= -0.426 USER MOD Single : A 46 HIS : no HD1:sc= -0.577 K(o=-0.58,f=-4.5!) USER MOD Single : A 50 MET CE :methyl 174:sc= 0 (180deg=-0.0275) USER MOD Single : A 56 LYS NZ :NH3+ -154:sc= 1.24 (180deg=1.08) USER MOD Single : A 57 LYS NZ :NH3+ 142:sc= 1.11 (180deg=0.134) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -169:sc= 0.705 (180deg=0.401!) USER MOD Single : A 78 LYS NZ :NH3+ -153:sc= 1.18 (180deg=0.54) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 90 LYS NZ :NH3+ -163:sc= 0.759 (180deg=-0.183) USER MOD Single : A 94 LYS NZ :NH3+ -136:sc= 2.31 (180deg=-0.51) USER MOD Single : A 109 LYS NZ :NH3+ -179:sc= 0.845 (180deg=0.845) USER MOD Single : A 112 LYS NZ :NH3+ -179:sc= 1.18 (180deg=1.13) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 21.445 1.990 -0.040 1.00 11.62 N ATOM 2 CA GLY A 1 22.369 0.988 0.526 1.00 11.98 C ATOM 3 C GLY A 1 21.511 -0.186 0.911 1.00 10.99 C ATOM 4 O GLY A 1 20.617 0.013 1.718 1.00 11.09 O ATOM 0 H1 GLY A 1 21.977 2.654 -0.637 1.00 11.62 H new ATOM 0 H2 GLY A 1 20.722 1.511 -0.614 1.00 11.62 H new ATOM 0 H3 GLY A 1 20.984 2.512 0.732 1.00 11.62 H new ATOM 0 HA2 GLY A 1 23.126 0.698 -0.203 1.00 11.98 H new ATOM 0 HA3 GLY A 1 22.897 1.388 1.392 1.00 11.98 H new ATOM 10 N SER A 2 21.628 -1.299 0.183 1.00 10.32 N ATOM 11 CA SER A 2 20.440 -2.047 -0.285 1.00 9.11 C ATOM 12 C SER A 2 19.585 -1.170 -1.234 1.00 8.27 C ATOM 13 O SER A 2 19.842 0.033 -1.396 1.00 9.06 O ATOM 14 CB SER A 2 19.583 -2.606 0.872 1.00 9.34 C ATOM 15 OG SER A 2 18.733 -3.629 0.386 1.00 8.96 O ATOM 0 H SER A 2 22.520 -1.706 -0.097 1.00 10.32 H new ATOM 0 HA SER A 2 20.810 -2.911 -0.837 1.00 9.11 H new ATOM 0 HB2 SER A 2 20.228 -2.999 1.658 1.00 9.34 H new ATOM 0 HB3 SER A 2 18.989 -1.807 1.316 1.00 9.34 H new ATOM 0 HG SER A 2 17.873 -3.241 0.120 1.00 8.96 H new ATOM 21 N PHE A 3 18.564 -1.780 -1.831 1.00 7.14 N ATOM 22 CA PHE A 3 17.386 -1.106 -2.375 1.00 6.58 C ATOM 23 C PHE A 3 16.224 -1.270 -1.375 1.00 5.86 C ATOM 24 O PHE A 3 16.325 -2.093 -0.459 1.00 6.21 O ATOM 25 CB PHE A 3 17.055 -1.722 -3.746 1.00 6.54 C ATOM 26 CG PHE A 3 18.244 -1.773 -4.694 1.00 7.35 C ATOM 27 CD1 PHE A 3 18.660 -0.612 -5.374 1.00 8.32 C ATOM 28 CD2 PHE A 3 18.970 -2.970 -4.852 1.00 7.70 C ATOM 29 CE1 PHE A 3 19.793 -0.649 -6.207 1.00 9.31 C ATOM 30 CE2 PHE A 3 20.107 -3.005 -5.680 1.00 8.67 C ATOM 31 CZ PHE A 3 20.519 -1.845 -6.358 1.00 9.34 C ATOM 0 H PHE A 3 18.532 -2.792 -1.954 1.00 7.14 H new ATOM 0 HA PHE A 3 17.566 -0.040 -2.518 1.00 6.58 H new ATOM 0 HB2 PHE A 3 16.675 -2.733 -3.599 1.00 6.54 H new ATOM 0 HB3 PHE A 3 16.255 -1.145 -4.210 1.00 6.54 H new ATOM 0 HD1 PHE A 3 18.108 0.309 -5.256 1.00 8.32 H new ATOM 0 HD2 PHE A 3 18.653 -3.864 -4.336 1.00 7.70 H new ATOM 0 HE1 PHE A 3 20.106 0.242 -6.731 1.00 9.31 H new ATOM 0 HE2 PHE A 3 20.663 -3.924 -5.795 1.00 8.67 H new ATOM 0 HZ PHE A 3 21.391 -1.871 -6.994 1.00 9.34 H new ATOM 41 N THR A 4 15.140 -0.501 -1.535 1.00 5.37 N ATOM 42 CA THR A 4 13.888 -0.704 -0.787 1.00 4.67 C ATOM 43 C THR A 4 12.891 -1.525 -1.603 1.00 3.17 C ATOM 44 O THR A 4 13.108 -1.778 -2.789 1.00 3.38 O ATOM 45 CB THR A 4 13.283 0.619 -0.305 1.00 6.05 C ATOM 46 OG1 THR A 4 13.004 1.483 -1.376 1.00 6.78 O ATOM 47 CG2 THR A 4 14.207 1.352 0.669 1.00 7.50 C ATOM 0 H THR A 4 15.104 0.282 -2.188 1.00 5.37 H new ATOM 0 HA THR A 4 14.131 -1.275 0.109 1.00 4.67 H new ATOM 0 HB THR A 4 12.357 0.351 0.205 1.00 6.05 H new ATOM 0 HG1 THR A 4 12.378 2.178 -1.082 1.00 6.78 H new ATOM 0 HG21 THR A 4 13.738 2.284 0.984 1.00 7.50 H new ATOM 0 HG22 THR A 4 14.388 0.724 1.541 1.00 7.50 H new ATOM 0 HG23 THR A 4 15.154 1.571 0.177 1.00 7.50 H new ATOM 55 N GLU A 5 11.835 -1.997 -0.947 1.00 2.29 N ATOM 56 CA GLU A 5 10.971 -3.068 -1.443 1.00 1.28 C ATOM 57 C GLU A 5 9.611 -2.994 -0.719 1.00 1.10 C ATOM 58 O GLU A 5 9.066 -1.893 -0.613 1.00 1.58 O ATOM 59 CB GLU A 5 11.703 -4.405 -1.263 1.00 1.77 C ATOM 60 CG GLU A 5 11.160 -5.506 -2.173 1.00 3.08 C ATOM 61 CD GLU A 5 11.389 -6.858 -1.512 1.00 4.17 C ATOM 62 OE1 GLU A 5 12.556 -7.136 -1.155 1.00 4.60 O ATOM 63 OE2 GLU A 5 10.373 -7.554 -1.305 1.00 5.30 O ATOM 0 H GLU A 5 11.548 -1.639 -0.036 1.00 2.29 H new ATOM 0 HA GLU A 5 10.757 -2.964 -2.507 1.00 1.28 H new ATOM 0 HB2 GLU A 5 12.764 -4.263 -1.466 1.00 1.77 H new ATOM 0 HB3 GLU A 5 11.617 -4.724 -0.224 1.00 1.77 H new ATOM 0 HG2 GLU A 5 10.096 -5.352 -2.356 1.00 3.08 H new ATOM 0 HG3 GLU A 5 11.658 -5.472 -3.142 1.00 3.08 H new ATOM 70 N GLY A 6 9.035 -4.101 -0.231 1.00 0.94 N ATOM 71 CA GLY A 6 7.798 -4.100 0.553 1.00 0.88 C ATOM 72 C GLY A 6 7.701 -5.211 1.587 1.00 0.89 C ATOM 73 O GLY A 6 8.601 -6.035 1.725 1.00 1.24 O ATOM 0 H GLY A 6 9.423 -5.034 -0.373 1.00 0.94 H new ATOM 0 HA2 GLY A 6 7.707 -3.140 1.061 1.00 0.88 H new ATOM 0 HA3 GLY A 6 6.951 -4.182 -0.129 1.00 0.88 H new ATOM 77 N TRP A 7 6.572 -5.226 2.298 1.00 0.73 N ATOM 78 CA TRP A 7 6.154 -6.287 3.214 1.00 0.67 C ATOM 79 C TRP A 7 4.705 -6.099 3.685 1.00 0.64 C ATOM 80 O TRP A 7 4.187 -4.984 3.709 1.00 0.68 O ATOM 81 CB TRP A 7 7.092 -6.425 4.423 1.00 0.78 C ATOM 82 CG TRP A 7 7.139 -5.290 5.397 1.00 0.88 C ATOM 83 CD1 TRP A 7 6.401 -5.223 6.523 1.00 0.92 C ATOM 84 CD2 TRP A 7 7.979 -4.093 5.405 1.00 1.09 C ATOM 85 NE1 TRP A 7 6.709 -4.079 7.225 1.00 1.06 N ATOM 86 CE2 TRP A 7 7.659 -3.326 6.566 1.00 1.18 C ATOM 87 CE3 TRP A 7 8.980 -3.574 4.555 1.00 1.31 C ATOM 88 CZ2 TRP A 7 8.261 -2.089 6.842 1.00 1.45 C ATOM 89 CZ3 TRP A 7 9.607 -2.344 4.832 1.00 1.63 C ATOM 90 CH2 TRP A 7 9.244 -1.596 5.967 1.00 1.68 C ATOM 0 H TRP A 7 5.895 -4.465 2.248 1.00 0.73 H new ATOM 0 HA TRP A 7 6.212 -7.213 2.643 1.00 0.67 H new ATOM 0 HB2 TRP A 7 6.806 -7.324 4.969 1.00 0.78 H new ATOM 0 HB3 TRP A 7 8.102 -6.587 4.047 1.00 0.78 H new ATOM 0 HD1 TRP A 7 5.674 -5.960 6.830 1.00 0.92 H new ATOM 0 HE1 TRP A 7 6.289 -3.821 8.118 1.00 1.06 H new ATOM 0 HE3 TRP A 7 9.270 -4.131 3.676 1.00 1.31 H new ATOM 0 HZ2 TRP A 7 7.973 -1.523 7.716 1.00 1.45 H new ATOM 0 HZ3 TRP A 7 10.373 -1.972 4.168 1.00 1.63 H new ATOM 0 HH2 TRP A 7 9.719 -0.647 6.165 1.00 1.68 H new ATOM 101 N VAL A 8 4.049 -7.179 4.109 1.00 0.67 N ATOM 102 CA VAL A 8 2.713 -7.129 4.730 1.00 0.69 C ATOM 103 C VAL A 8 2.863 -7.325 6.241 1.00 0.74 C ATOM 104 O VAL A 8 3.554 -8.240 6.673 1.00 0.81 O ATOM 105 CB VAL A 8 1.754 -8.149 4.090 1.00 0.76 C ATOM 106 CG1 VAL A 8 0.343 -8.022 4.679 1.00 0.82 C ATOM 107 CG2 VAL A 8 1.705 -7.941 2.568 1.00 0.80 C ATOM 0 H VAL A 8 4.427 -8.123 4.033 1.00 0.67 H new ATOM 0 HA VAL A 8 2.262 -6.153 4.553 1.00 0.69 H new ATOM 0 HB VAL A 8 2.127 -9.150 4.307 1.00 0.76 H new ATOM 0 HG11 VAL A 8 -0.314 -8.754 4.210 1.00 0.82 H new ATOM 0 HG12 VAL A 8 0.379 -8.203 5.753 1.00 0.82 H new ATOM 0 HG13 VAL A 8 -0.040 -7.019 4.493 1.00 0.82 H new ATOM 0 HG21 VAL A 8 1.024 -8.667 2.123 1.00 0.80 H new ATOM 0 HG22 VAL A 8 1.353 -6.933 2.350 1.00 0.80 H new ATOM 0 HG23 VAL A 8 2.703 -8.076 2.150 1.00 0.80 H new ATOM 117 N ARG A 9 2.269 -6.430 7.039 1.00 0.77 N ATOM 118 CA ARG A 9 2.857 -6.017 8.329 1.00 1.05 C ATOM 119 C ARG A 9 2.791 -7.017 9.503 1.00 1.68 C ATOM 120 O ARG A 9 3.301 -6.717 10.582 1.00 3.51 O ATOM 121 CB ARG A 9 2.334 -4.609 8.668 1.00 1.11 C ATOM 122 CG ARG A 9 0.955 -4.443 9.329 1.00 1.68 C ATOM 123 CD ARG A 9 0.894 -4.674 10.844 1.00 1.88 C ATOM 124 NE ARG A 9 1.861 -3.874 11.617 1.00 2.16 N ATOM 125 CZ ARG A 9 1.886 -3.736 12.935 1.00 2.84 C ATOM 126 NH1 ARG A 9 0.982 -4.307 13.709 1.00 3.35 N ATOM 127 NH2 ARG A 9 2.831 -3.017 13.498 1.00 3.81 N ATOM 0 H ARG A 9 1.383 -5.976 6.819 1.00 0.77 H new ATOM 0 HA ARG A 9 3.937 -5.999 8.181 1.00 1.05 H new ATOM 0 HB2 ARG A 9 3.067 -4.139 9.324 1.00 1.11 H new ATOM 0 HB3 ARG A 9 2.321 -4.035 7.741 1.00 1.11 H new ATOM 0 HG2 ARG A 9 0.596 -3.435 9.122 1.00 1.68 H new ATOM 0 HG3 ARG A 9 0.261 -5.133 8.850 1.00 1.68 H new ATOM 0 HD2 ARG A 9 -0.112 -4.445 11.195 1.00 1.88 H new ATOM 0 HD3 ARG A 9 1.070 -5.731 11.046 1.00 1.88 H new ATOM 0 HE ARG A 9 2.579 -3.380 11.087 1.00 2.16 H new ATOM 0 HH11 ARG A 9 0.240 -4.871 13.296 1.00 3.35 H new ATOM 0 HH12 ARG A 9 1.026 -4.184 14.721 1.00 3.35 H new ATOM 0 HH21 ARG A 9 3.542 -2.567 12.921 1.00 3.81 H new ATOM 0 HH22 ARG A 9 2.854 -2.908 14.512 1.00 3.81 H new ATOM 141 N PHE A 10 2.110 -8.154 9.303 1.00 0.96 N ATOM 142 CA PHE A 10 1.807 -9.221 10.275 1.00 1.04 C ATOM 143 C PHE A 10 0.786 -8.768 11.341 1.00 1.03 C ATOM 144 O PHE A 10 1.012 -7.810 12.078 1.00 1.39 O ATOM 145 CB PHE A 10 3.099 -9.833 10.871 1.00 1.42 C ATOM 146 CG PHE A 10 3.057 -10.086 12.370 1.00 1.87 C ATOM 147 CD1 PHE A 10 2.370 -11.199 12.890 1.00 2.07 C ATOM 148 CD2 PHE A 10 3.631 -9.152 13.253 1.00 3.47 C ATOM 149 CE1 PHE A 10 2.231 -11.364 14.278 1.00 2.29 C ATOM 150 CE2 PHE A 10 3.513 -9.329 14.642 1.00 4.01 C ATOM 151 CZ PHE A 10 2.810 -10.432 15.156 1.00 2.91 C ATOM 0 H PHE A 10 1.725 -8.371 8.384 1.00 0.96 H new ATOM 0 HA PHE A 10 1.315 -10.029 9.734 1.00 1.04 H new ATOM 0 HB2 PHE A 10 3.304 -10.776 10.364 1.00 1.42 H new ATOM 0 HB3 PHE A 10 3.933 -9.166 10.653 1.00 1.42 H new ATOM 0 HD1 PHE A 10 1.947 -11.931 12.218 1.00 2.07 H new ATOM 0 HD2 PHE A 10 4.163 -8.297 12.862 1.00 3.47 H new ATOM 0 HE1 PHE A 10 1.680 -12.206 14.670 1.00 2.29 H new ATOM 0 HE2 PHE A 10 3.964 -8.616 15.316 1.00 4.01 H new ATOM 0 HZ PHE A 10 2.715 -10.563 16.224 1.00 2.91 H new ATOM 161 N SER A 11 -0.363 -9.442 11.462 1.00 1.02 N ATOM 162 CA SER A 11 -1.415 -9.151 12.436 1.00 1.25 C ATOM 163 C SER A 11 -2.514 -10.239 12.459 1.00 1.39 C ATOM 164 O SER A 11 -2.947 -10.663 11.383 1.00 1.54 O ATOM 165 CB SER A 11 -2.057 -7.804 12.088 1.00 1.60 C ATOM 166 OG SER A 11 -1.288 -6.731 12.614 1.00 2.00 O ATOM 0 H SER A 11 -0.592 -10.234 10.861 1.00 1.02 H new ATOM 0 HA SER A 11 -0.954 -9.125 13.423 1.00 1.25 H new ATOM 0 HB2 SER A 11 -2.139 -7.703 11.006 1.00 1.60 H new ATOM 0 HB3 SER A 11 -3.070 -7.763 12.489 1.00 1.60 H new ATOM 0 HG SER A 11 -0.372 -7.036 12.782 1.00 2.00 H new ATOM 172 N PRO A 12 -2.984 -10.665 13.653 1.00 1.53 N ATOM 173 CA PRO A 12 -4.096 -11.604 13.823 1.00 1.78 C ATOM 174 C PRO A 12 -5.465 -10.922 14.018 1.00 1.82 C ATOM 175 O PRO A 12 -6.472 -11.621 14.101 1.00 2.87 O ATOM 176 CB PRO A 12 -3.718 -12.398 15.076 1.00 2.03 C ATOM 177 CG PRO A 12 -3.076 -11.328 15.957 1.00 1.96 C ATOM 178 CD PRO A 12 -2.338 -10.448 14.946 1.00 1.65 C ATOM 0 HA PRO A 12 -4.223 -12.213 12.928 1.00 1.78 H new ATOM 0 HB2 PRO A 12 -4.590 -12.847 15.551 1.00 2.03 H new ATOM 0 HB3 PRO A 12 -3.025 -13.209 14.850 1.00 2.03 H new ATOM 0 HG2 PRO A 12 -3.823 -10.763 16.515 1.00 1.96 H new ATOM 0 HG3 PRO A 12 -2.394 -11.763 16.688 1.00 1.96 H new ATOM 0 HD2 PRO A 12 -2.392 -9.398 15.234 1.00 1.65 H new ATOM 0 HD3 PRO A 12 -1.282 -10.713 14.901 1.00 1.65 H new ATOM 186 N GLY A 13 -5.523 -9.585 14.126 1.00 1.19 N ATOM 187 CA GLY A 13 -6.780 -8.837 14.254 1.00 1.22 C ATOM 188 C GLY A 13 -7.528 -8.708 12.916 1.00 1.05 C ATOM 189 O GLY A 13 -6.929 -8.938 11.868 1.00 1.28 O ATOM 0 H GLY A 13 -4.694 -8.991 14.127 1.00 1.19 H new ATOM 0 HA2 GLY A 13 -7.423 -9.335 14.979 1.00 1.22 H new ATOM 0 HA3 GLY A 13 -6.569 -7.842 14.646 1.00 1.22 H new ATOM 193 N PRO A 14 -8.815 -8.310 12.919 1.00 1.09 N ATOM 194 CA PRO A 14 -9.660 -8.299 11.724 1.00 1.20 C ATOM 195 C PRO A 14 -9.240 -7.277 10.654 1.00 0.97 C ATOM 196 O PRO A 14 -9.686 -7.408 9.515 1.00 1.15 O ATOM 197 CB PRO A 14 -11.079 -8.022 12.236 1.00 1.55 C ATOM 198 CG PRO A 14 -10.845 -7.242 13.529 1.00 1.59 C ATOM 199 CD PRO A 14 -9.577 -7.887 14.086 1.00 1.41 C ATOM 0 HA PRO A 14 -9.575 -9.254 11.206 1.00 1.20 H new ATOM 0 HB2 PRO A 14 -11.659 -7.443 11.517 1.00 1.55 H new ATOM 0 HB3 PRO A 14 -11.628 -8.946 12.418 1.00 1.55 H new ATOM 0 HG2 PRO A 14 -10.708 -6.177 13.340 1.00 1.59 H new ATOM 0 HG3 PRO A 14 -11.684 -7.339 14.218 1.00 1.59 H new ATOM 0 HD2 PRO A 14 -9.009 -7.180 14.691 1.00 1.41 H new ATOM 0 HD3 PRO A 14 -9.817 -8.735 14.728 1.00 1.41 H new ATOM 207 N ASN A 15 -8.376 -6.310 11.003 1.00 0.76 N ATOM 208 CA ASN A 15 -7.750 -5.359 10.081 1.00 0.65 C ATOM 209 C ASN A 15 -6.208 -5.389 10.184 1.00 0.66 C ATOM 210 O ASN A 15 -5.646 -5.653 11.250 1.00 0.79 O ATOM 211 CB ASN A 15 -8.233 -3.929 10.377 1.00 0.76 C ATOM 212 CG ASN A 15 -9.717 -3.668 10.131 1.00 2.50 C ATOM 213 OD1 ASN A 15 -10.478 -4.483 9.634 1.00 4.22 O ATOM 214 ND2 ASN A 15 -10.173 -2.474 10.459 1.00 2.79 N ATOM 0 H ASN A 15 -8.086 -6.167 11.971 1.00 0.76 H new ATOM 0 HA ASN A 15 -8.041 -5.655 9.073 1.00 0.65 H new ATOM 0 HB2 ASN A 15 -8.010 -3.698 11.419 1.00 0.76 H new ATOM 0 HB3 ASN A 15 -7.655 -3.236 9.766 1.00 0.76 H new ATOM 0 HD21 ASN A 15 -11.152 -2.240 10.297 1.00 2.79 H new ATOM 0 HD22 ASN A 15 -9.546 -1.785 10.875 1.00 2.79 H new ATOM 221 N ALA A 16 -5.529 -5.048 9.082 1.00 0.66 N ATOM 222 CA ALA A 16 -4.070 -4.995 8.936 1.00 0.83 C ATOM 223 C ALA A 16 -3.656 -4.034 7.798 1.00 0.70 C ATOM 224 O ALA A 16 -4.487 -3.279 7.289 1.00 0.58 O ATOM 225 CB ALA A 16 -3.541 -6.427 8.744 1.00 1.19 C ATOM 0 H ALA A 16 -6.010 -4.787 8.221 1.00 0.66 H new ATOM 0 HA ALA A 16 -3.616 -4.586 9.839 1.00 0.83 H new ATOM 0 HB1 ALA A 16 -2.457 -6.403 8.634 1.00 1.19 H new ATOM 0 HB2 ALA A 16 -3.804 -7.032 9.612 1.00 1.19 H new ATOM 0 HB3 ALA A 16 -3.987 -6.863 7.850 1.00 1.19 H new ATOM 231 N ALA A 17 -2.383 -4.063 7.383 1.00 1.05 N ATOM 232 CA ALA A 17 -1.837 -3.218 6.314 1.00 1.02 C ATOM 233 C ALA A 17 -0.788 -3.942 5.452 1.00 0.96 C ATOM 234 O ALA A 17 -0.112 -4.856 5.934 1.00 1.12 O ATOM 235 CB ALA A 17 -1.222 -1.955 6.934 1.00 1.10 C ATOM 0 H ALA A 17 -1.689 -4.689 7.791 1.00 1.05 H new ATOM 0 HA ALA A 17 -2.662 -2.958 5.650 1.00 1.02 H new ATOM 0 HB1 ALA A 17 -0.815 -1.323 6.144 1.00 1.10 H new ATOM 0 HB2 ALA A 17 -1.990 -1.406 7.478 1.00 1.10 H new ATOM 0 HB3 ALA A 17 -0.424 -2.238 7.620 1.00 1.10 H new ATOM 241 N ALA A 18 -0.605 -3.468 4.215 1.00 0.87 N ATOM 242 CA ALA A 18 0.475 -3.863 3.309 1.00 0.86 C ATOM 243 C ALA A 18 1.264 -2.640 2.801 1.00 0.73 C ATOM 244 O ALA A 18 0.693 -1.590 2.485 1.00 0.80 O ATOM 245 CB ALA A 18 -0.111 -4.697 2.156 1.00 0.97 C ATOM 0 H ALA A 18 -1.229 -2.773 3.804 1.00 0.87 H new ATOM 0 HA ALA A 18 1.192 -4.479 3.852 1.00 0.86 H new ATOM 0 HB1 ALA A 18 0.689 -4.994 1.478 1.00 0.97 H new ATOM 0 HB2 ALA A 18 -0.594 -5.587 2.560 1.00 0.97 H new ATOM 0 HB3 ALA A 18 -0.845 -4.102 1.612 1.00 0.97 H new ATOM 251 N TYR A 19 2.589 -2.788 2.714 1.00 0.66 N ATOM 252 CA TYR A 19 3.531 -1.775 2.223 1.00 0.68 C ATOM 253 C TYR A 19 4.288 -2.310 0.999 1.00 0.76 C ATOM 254 O TYR A 19 4.524 -3.518 0.902 1.00 0.91 O ATOM 255 CB TYR A 19 4.536 -1.423 3.331 1.00 0.72 C ATOM 256 CG TYR A 19 3.947 -1.291 4.723 1.00 0.67 C ATOM 257 CD1 TYR A 19 2.937 -0.352 5.011 1.00 1.82 C ATOM 258 CD2 TYR A 19 4.405 -2.151 5.730 1.00 1.79 C ATOM 259 CE1 TYR A 19 2.364 -0.304 6.299 1.00 1.93 C ATOM 260 CE2 TYR A 19 3.877 -2.080 7.029 1.00 1.74 C ATOM 261 CZ TYR A 19 2.833 -1.170 7.314 1.00 0.80 C ATOM 262 OH TYR A 19 2.283 -1.144 8.558 1.00 1.00 O ATOM 0 H TYR A 19 3.055 -3.651 2.995 1.00 0.66 H new ATOM 0 HA TYR A 19 2.974 -0.882 1.938 1.00 0.68 H new ATOM 0 HB2 TYR A 19 5.310 -2.190 3.353 1.00 0.72 H new ATOM 0 HB3 TYR A 19 5.025 -0.484 3.071 1.00 0.72 H new ATOM 0 HD1 TYR A 19 2.601 0.331 4.245 1.00 1.82 H new ATOM 0 HD2 TYR A 19 5.173 -2.876 5.504 1.00 1.79 H new ATOM 0 HE1 TYR A 19 1.567 0.394 6.510 1.00 1.93 H new ATOM 0 HE2 TYR A 19 4.267 -2.718 7.808 1.00 1.74 H new ATOM 0 HH TYR A 19 2.728 -1.807 9.126 1.00 1.00 H new ATOM 272 N LEU A 20 4.705 -1.421 0.088 1.00 0.72 N ATOM 273 CA LEU A 20 5.484 -1.788 -1.101 1.00 0.78 C ATOM 274 C LEU A 20 6.190 -0.606 -1.760 1.00 0.77 C ATOM 275 O LEU A 20 5.774 0.545 -1.629 1.00 0.73 O ATOM 276 CB LEU A 20 4.629 -2.626 -2.086 1.00 0.83 C ATOM 277 CG LEU A 20 3.404 -1.940 -2.729 1.00 0.86 C ATOM 278 CD1 LEU A 20 3.770 -1.089 -3.952 1.00 1.59 C ATOM 279 CD2 LEU A 20 2.408 -3.013 -3.192 1.00 1.77 C ATOM 0 H LEU A 20 4.510 -0.422 0.156 1.00 0.72 H new ATOM 0 HA LEU A 20 6.301 -2.426 -0.762 1.00 0.78 H new ATOM 0 HB2 LEU A 20 5.281 -2.970 -2.889 1.00 0.83 H new ATOM 0 HB3 LEU A 20 4.279 -3.513 -1.557 1.00 0.83 H new ATOM 0 HG LEU A 20 2.977 -1.285 -1.969 1.00 0.86 H new ATOM 0 HD11 LEU A 20 2.868 -0.632 -4.361 1.00 1.59 H new ATOM 0 HD12 LEU A 20 4.470 -0.308 -3.655 1.00 1.59 H new ATOM 0 HD13 LEU A 20 4.232 -1.721 -4.710 1.00 1.59 H new ATOM 0 HD21 LEU A 20 1.541 -2.533 -3.647 1.00 1.77 H new ATOM 0 HD22 LEU A 20 2.888 -3.664 -3.923 1.00 1.77 H new ATOM 0 HD23 LEU A 20 2.087 -3.605 -2.335 1.00 1.77 H new ATOM 291 N THR A 21 7.230 -0.905 -2.539 1.00 0.92 N ATOM 292 CA THR A 21 7.820 0.037 -3.482 1.00 0.96 C ATOM 293 C THR A 21 7.174 -0.193 -4.843 1.00 1.00 C ATOM 294 O THR A 21 7.279 -1.270 -5.422 1.00 1.15 O ATOM 295 CB THR A 21 9.343 -0.085 -3.525 1.00 1.13 C ATOM 296 OG1 THR A 21 9.867 0.146 -2.242 1.00 1.17 O ATOM 297 CG2 THR A 21 9.912 1.017 -4.414 1.00 1.42 C ATOM 0 H THR A 21 7.688 -1.816 -2.531 1.00 0.92 H new ATOM 0 HA THR A 21 7.624 1.060 -3.162 1.00 0.96 H new ATOM 0 HB THR A 21 9.600 -1.078 -3.894 1.00 1.13 H new ATOM 0 HG1 THR A 21 9.726 -0.647 -1.684 1.00 1.17 H new ATOM 0 HG21 THR A 21 10.998 0.933 -4.447 1.00 1.42 H new ATOM 0 HG22 THR A 21 9.509 0.916 -5.422 1.00 1.42 H new ATOM 0 HG23 THR A 21 9.635 1.990 -4.009 1.00 1.42 H new ATOM 305 N LEU A 22 6.483 0.830 -5.333 1.00 1.15 N ATOM 306 CA LEU A 22 5.840 0.899 -6.643 1.00 1.28 C ATOM 307 C LEU A 22 6.819 1.551 -7.620 1.00 1.04 C ATOM 308 O LEU A 22 7.404 2.591 -7.307 1.00 0.93 O ATOM 309 CB LEU A 22 4.563 1.751 -6.467 1.00 1.54 C ATOM 310 CG LEU A 22 3.448 1.703 -7.523 1.00 1.92 C ATOM 311 CD1 LEU A 22 3.928 2.063 -8.930 1.00 2.29 C ATOM 312 CD2 LEU A 22 2.737 0.344 -7.522 1.00 2.38 C ATOM 0 H LEU A 22 6.348 1.686 -4.795 1.00 1.15 H new ATOM 0 HA LEU A 22 5.572 -0.082 -7.035 1.00 1.28 H new ATOM 0 HB2 LEU A 22 4.116 1.470 -5.513 1.00 1.54 H new ATOM 0 HB3 LEU A 22 4.878 2.791 -6.378 1.00 1.54 H new ATOM 0 HG LEU A 22 2.732 2.473 -7.235 1.00 1.92 H new ATOM 0 HD11 LEU A 22 3.090 2.009 -9.625 1.00 2.29 H new ATOM 0 HD12 LEU A 22 4.334 3.075 -8.928 1.00 2.29 H new ATOM 0 HD13 LEU A 22 4.703 1.362 -9.241 1.00 2.29 H new ATOM 0 HD21 LEU A 22 1.954 0.343 -8.280 1.00 2.38 H new ATOM 0 HD22 LEU A 22 3.457 -0.444 -7.743 1.00 2.38 H new ATOM 0 HD23 LEU A 22 2.294 0.166 -6.542 1.00 2.38 H new ATOM 324 N GLU A 23 6.962 1.003 -8.821 1.00 1.09 N ATOM 325 CA GLU A 23 7.714 1.683 -9.865 1.00 1.04 C ATOM 326 C GLU A 23 7.171 1.456 -11.263 1.00 0.94 C ATOM 327 O GLU A 23 6.646 0.396 -11.598 1.00 1.05 O ATOM 328 CB GLU A 23 9.207 1.375 -9.771 1.00 1.24 C ATOM 329 CG GLU A 23 9.604 -0.062 -10.110 1.00 1.36 C ATOM 330 CD GLU A 23 11.042 -0.293 -9.659 1.00 1.86 C ATOM 331 OE1 GLU A 23 11.857 0.657 -9.685 1.00 2.74 O ATOM 332 OE2 GLU A 23 11.322 -1.378 -9.117 1.00 2.73 O ATOM 0 H GLU A 23 6.572 0.101 -9.093 1.00 1.09 H new ATOM 0 HA GLU A 23 7.580 2.749 -9.679 1.00 1.04 H new ATOM 0 HB2 GLU A 23 9.742 2.049 -10.440 1.00 1.24 H new ATOM 0 HB3 GLU A 23 9.543 1.597 -8.758 1.00 1.24 H new ATOM 0 HG2 GLU A 23 8.935 -0.765 -9.614 1.00 1.36 H new ATOM 0 HG3 GLU A 23 9.512 -0.236 -11.182 1.00 1.36 H new ATOM 339 N ASN A 24 7.313 2.499 -12.073 1.00 0.90 N ATOM 340 CA ASN A 24 6.895 2.539 -13.457 1.00 0.88 C ATOM 341 C ASN A 24 8.124 2.558 -14.380 1.00 0.88 C ATOM 342 O ASN A 24 8.806 3.582 -14.450 1.00 0.92 O ATOM 343 CB ASN A 24 6.056 3.803 -13.636 1.00 0.92 C ATOM 344 CG ASN A 24 5.574 3.967 -15.055 1.00 0.87 C ATOM 345 OD1 ASN A 24 5.614 3.061 -15.875 1.00 0.93 O ATOM 346 ND2 ASN A 24 5.071 5.140 -15.348 1.00 0.83 N ATOM 0 H ASN A 24 7.741 3.372 -11.764 1.00 0.90 H new ATOM 0 HA ASN A 24 6.309 1.657 -13.717 1.00 0.88 H new ATOM 0 HB2 ASN A 24 5.198 3.767 -12.964 1.00 0.92 H new ATOM 0 HB3 ASN A 24 6.647 4.673 -13.351 1.00 0.92 H new ATOM 0 HD21 ASN A 24 4.699 5.317 -16.281 1.00 0.83 H new ATOM 0 HD22 ASN A 24 5.051 5.877 -14.643 1.00 0.83 H new ATOM 353 N PRO A 25 8.413 1.470 -15.112 1.00 0.91 N ATOM 354 CA PRO A 25 9.507 1.438 -16.078 1.00 0.93 C ATOM 355 C PRO A 25 9.153 2.086 -17.427 1.00 0.93 C ATOM 356 O PRO A 25 10.048 2.281 -18.249 1.00 0.96 O ATOM 357 CB PRO A 25 9.823 -0.051 -16.243 1.00 1.01 C ATOM 358 CG PRO A 25 8.457 -0.714 -16.047 1.00 1.04 C ATOM 359 CD PRO A 25 7.800 0.155 -14.980 1.00 0.98 C ATOM 0 HA PRO A 25 10.357 2.020 -15.723 1.00 0.93 H new ATOM 0 HB2 PRO A 25 10.241 -0.269 -17.226 1.00 1.01 H new ATOM 0 HB3 PRO A 25 10.548 -0.394 -15.505 1.00 1.01 H new ATOM 0 HG2 PRO A 25 7.878 -0.725 -16.971 1.00 1.04 H new ATOM 0 HG3 PRO A 25 8.555 -1.749 -15.720 1.00 1.04 H new ATOM 0 HD2 PRO A 25 6.721 0.209 -15.128 1.00 0.98 H new ATOM 0 HD3 PRO A 25 7.965 -0.256 -13.984 1.00 0.98 H new ATOM 367 N GLY A 26 7.879 2.422 -17.674 1.00 0.93 N ATOM 368 CA GLY A 26 7.396 2.946 -18.955 1.00 0.95 C ATOM 369 C GLY A 26 7.665 4.436 -19.159 1.00 0.91 C ATOM 370 O GLY A 26 8.243 5.110 -18.308 1.00 0.90 O ATOM 0 H GLY A 26 7.143 2.335 -16.974 1.00 0.93 H new ATOM 0 HA2 GLY A 26 7.867 2.388 -19.765 1.00 0.95 H new ATOM 0 HA3 GLY A 26 6.323 2.768 -19.027 1.00 0.95 H new ATOM 374 N ASP A 27 7.275 4.928 -20.336 1.00 0.97 N ATOM 375 CA ASP A 27 7.452 6.320 -20.794 1.00 1.00 C ATOM 376 C ASP A 27 6.137 7.128 -20.784 1.00 1.05 C ATOM 377 O ASP A 27 6.134 8.331 -21.030 1.00 1.14 O ATOM 378 CB ASP A 27 8.129 6.292 -22.174 1.00 1.05 C ATOM 379 CG ASP A 27 9.533 5.702 -22.030 1.00 1.46 C ATOM 380 OD1 ASP A 27 9.660 4.457 -22.058 1.00 2.25 O ATOM 381 OD2 ASP A 27 10.466 6.448 -21.665 1.00 2.33 O ATOM 0 H ASP A 27 6.806 4.347 -21.031 1.00 0.97 H new ATOM 0 HA ASP A 27 8.095 6.850 -20.091 1.00 1.00 H new ATOM 0 HB2 ASP A 27 7.540 5.695 -22.870 1.00 1.05 H new ATOM 0 HB3 ASP A 27 8.185 7.300 -22.586 1.00 1.05 H new ATOM 386 N LEU A 28 5.032 6.477 -20.407 1.00 1.05 N ATOM 387 CA LEU A 28 3.766 7.090 -19.995 1.00 1.05 C ATOM 388 C LEU A 28 3.541 6.853 -18.480 1.00 0.92 C ATOM 389 O LEU A 28 4.223 5.996 -17.912 1.00 0.85 O ATOM 390 CB LEU A 28 2.651 6.578 -20.934 1.00 1.18 C ATOM 391 CG LEU A 28 2.330 5.066 -20.906 1.00 1.22 C ATOM 392 CD1 LEU A 28 1.537 4.642 -19.659 1.00 1.68 C ATOM 393 CD2 LEU A 28 1.495 4.718 -22.148 1.00 1.43 C ATOM 0 H LEU A 28 4.995 5.458 -20.380 1.00 1.05 H new ATOM 0 HA LEU A 28 3.770 8.175 -20.102 1.00 1.05 H new ATOM 0 HB2 LEU A 28 1.736 7.120 -20.696 1.00 1.18 H new ATOM 0 HB3 LEU A 28 2.923 6.845 -21.955 1.00 1.18 H new ATOM 0 HG LEU A 28 3.281 4.534 -20.889 1.00 1.22 H new ATOM 0 HD11 LEU A 28 1.343 3.570 -19.698 1.00 1.68 H new ATOM 0 HD12 LEU A 28 2.115 4.874 -18.764 1.00 1.68 H new ATOM 0 HD13 LEU A 28 0.590 5.181 -19.629 1.00 1.68 H new ATOM 0 HD21 LEU A 28 1.261 3.654 -22.142 1.00 1.43 H new ATOM 0 HD22 LEU A 28 0.569 5.294 -22.137 1.00 1.43 H new ATOM 0 HD23 LEU A 28 2.062 4.960 -23.047 1.00 1.43 H new ATOM 405 N PRO A 29 2.647 7.597 -17.794 1.00 0.94 N ATOM 406 CA PRO A 29 2.509 7.536 -16.339 1.00 0.87 C ATOM 407 C PRO A 29 1.634 6.346 -15.890 1.00 0.84 C ATOM 408 O PRO A 29 0.832 5.829 -16.670 1.00 0.92 O ATOM 409 CB PRO A 29 1.865 8.870 -15.947 1.00 0.96 C ATOM 410 CG PRO A 29 0.991 9.199 -17.154 1.00 1.09 C ATOM 411 CD PRO A 29 1.769 8.623 -18.339 1.00 1.07 C ATOM 0 HA PRO A 29 3.474 7.383 -15.855 1.00 0.87 H new ATOM 0 HB2 PRO A 29 1.275 8.781 -15.035 1.00 0.96 H new ATOM 0 HB3 PRO A 29 2.613 9.642 -15.769 1.00 0.96 H new ATOM 0 HG2 PRO A 29 0.003 8.747 -17.067 1.00 1.09 H new ATOM 0 HG3 PRO A 29 0.842 10.274 -17.258 1.00 1.09 H new ATOM 0 HD2 PRO A 29 1.091 8.200 -19.080 1.00 1.07 H new ATOM 0 HD3 PRO A 29 2.345 9.401 -18.841 1.00 1.07 H new ATOM 419 N LEU A 30 1.734 5.955 -14.610 1.00 0.77 N ATOM 420 CA LEU A 30 0.821 5.007 -13.960 1.00 0.74 C ATOM 421 C LEU A 30 -0.067 5.727 -12.953 1.00 0.73 C ATOM 422 O LEU A 30 0.320 6.728 -12.357 1.00 0.95 O ATOM 423 CB LEU A 30 1.564 3.883 -13.232 1.00 0.80 C ATOM 424 CG LEU A 30 2.358 2.962 -14.160 1.00 0.81 C ATOM 425 CD1 LEU A 30 2.896 1.779 -13.361 1.00 1.75 C ATOM 426 CD2 LEU A 30 1.614 2.421 -15.381 1.00 1.91 C ATOM 0 H LEU A 30 2.466 6.297 -13.988 1.00 0.77 H new ATOM 0 HA LEU A 30 0.220 4.566 -14.755 1.00 0.74 H new ATOM 0 HB2 LEU A 30 2.245 4.323 -12.504 1.00 0.80 H new ATOM 0 HB3 LEU A 30 0.843 3.286 -12.674 1.00 0.80 H new ATOM 0 HG LEU A 30 3.147 3.599 -14.561 1.00 0.81 H new ATOM 0 HD11 LEU A 30 3.462 1.122 -14.021 1.00 1.75 H new ATOM 0 HD12 LEU A 30 3.547 2.143 -12.566 1.00 1.75 H new ATOM 0 HD13 LEU A 30 2.064 1.226 -12.925 1.00 1.75 H new ATOM 0 HD21 LEU A 30 2.281 1.782 -15.960 1.00 1.91 H new ATOM 0 HD22 LEU A 30 0.750 1.842 -15.054 1.00 1.91 H new ATOM 0 HD23 LEU A 30 1.279 3.253 -16.001 1.00 1.91 H new ATOM 438 N ARG A 31 -1.232 5.136 -12.707 1.00 0.69 N ATOM 439 CA ARG A 31 -2.229 5.618 -11.738 1.00 0.65 C ATOM 440 C ARG A 31 -2.799 4.439 -10.961 1.00 0.59 C ATOM 441 O ARG A 31 -3.570 3.659 -11.511 1.00 0.62 O ATOM 442 CB ARG A 31 -3.290 6.451 -12.478 1.00 0.73 C ATOM 443 CG ARG A 31 -4.235 7.252 -11.563 1.00 0.73 C ATOM 444 CD ARG A 31 -4.916 8.364 -12.376 1.00 1.07 C ATOM 445 NE ARG A 31 -5.544 9.401 -11.534 1.00 1.81 N ATOM 446 CZ ARG A 31 -5.419 10.717 -11.709 1.00 2.30 C ATOM 447 NH1 ARG A 31 -4.624 11.255 -12.599 1.00 1.93 N ATOM 448 NH2 ARG A 31 -6.096 11.549 -10.957 1.00 4.04 N ATOM 0 H ARG A 31 -1.523 4.284 -13.186 1.00 0.69 H new ATOM 0 HA ARG A 31 -1.775 6.277 -10.998 1.00 0.65 H new ATOM 0 HB2 ARG A 31 -2.784 7.144 -13.150 1.00 0.73 H new ATOM 0 HB3 ARG A 31 -3.888 5.784 -13.099 1.00 0.73 H new ATOM 0 HG2 ARG A 31 -4.986 6.591 -11.131 1.00 0.73 H new ATOM 0 HG3 ARG A 31 -3.675 7.684 -10.734 1.00 0.73 H new ATOM 0 HD2 ARG A 31 -4.178 8.832 -13.027 1.00 1.07 H new ATOM 0 HD3 ARG A 31 -5.675 7.921 -13.021 1.00 1.07 H new ATOM 0 HE ARG A 31 -6.121 9.085 -10.754 1.00 1.81 H new ATOM 0 HH11 ARG A 31 -4.059 10.659 -13.204 1.00 1.93 H new ATOM 0 HH12 ARG A 31 -4.570 12.270 -12.687 1.00 1.93 H new ATOM 0 HH21 ARG A 31 -6.721 11.191 -10.235 1.00 4.04 H new ATOM 0 HH22 ARG A 31 -5.998 12.555 -11.093 1.00 4.04 H new ATOM 462 N LEU A 32 -2.344 4.257 -9.725 1.00 0.54 N ATOM 463 CA LEU A 32 -2.633 3.113 -8.854 1.00 0.50 C ATOM 464 C LEU A 32 -3.965 3.365 -8.137 1.00 0.53 C ATOM 465 O LEU A 32 -4.032 4.176 -7.216 1.00 0.63 O ATOM 466 CB LEU A 32 -1.439 2.940 -7.896 1.00 0.49 C ATOM 467 CG LEU A 32 -1.564 1.792 -6.869 1.00 0.49 C ATOM 468 CD1 LEU A 32 -1.550 0.414 -7.541 1.00 0.65 C ATOM 469 CD2 LEU A 32 -0.398 1.886 -5.872 1.00 0.65 C ATOM 0 H LEU A 32 -1.731 4.938 -9.276 1.00 0.54 H new ATOM 0 HA LEU A 32 -2.749 2.182 -9.409 1.00 0.50 H new ATOM 0 HB2 LEU A 32 -0.541 2.774 -8.491 1.00 0.49 H new ATOM 0 HB3 LEU A 32 -1.294 3.874 -7.353 1.00 0.49 H new ATOM 0 HG LEU A 32 -2.520 1.899 -6.357 1.00 0.49 H new ATOM 0 HD11 LEU A 32 -1.640 -0.362 -6.781 1.00 0.65 H new ATOM 0 HD12 LEU A 32 -2.386 0.340 -8.236 1.00 0.65 H new ATOM 0 HD13 LEU A 32 -0.614 0.283 -8.084 1.00 0.65 H new ATOM 0 HD21 LEU A 32 -0.477 1.080 -5.143 1.00 0.65 H new ATOM 0 HD22 LEU A 32 0.547 1.799 -6.408 1.00 0.65 H new ATOM 0 HD23 LEU A 32 -0.436 2.846 -5.357 1.00 0.65 H new ATOM 481 N VAL A 33 -5.021 2.698 -8.590 1.00 0.54 N ATOM 482 CA VAL A 33 -6.408 2.964 -8.153 1.00 0.59 C ATOM 483 C VAL A 33 -6.882 1.995 -7.057 1.00 0.60 C ATOM 484 O VAL A 33 -7.892 2.245 -6.404 1.00 0.61 O ATOM 485 CB VAL A 33 -7.401 2.972 -9.345 1.00 0.64 C ATOM 486 CG1 VAL A 33 -7.056 4.079 -10.357 1.00 0.68 C ATOM 487 CG2 VAL A 33 -7.466 1.635 -10.108 1.00 0.65 C ATOM 0 H VAL A 33 -4.949 1.948 -9.278 1.00 0.54 H new ATOM 0 HA VAL A 33 -6.396 3.963 -7.717 1.00 0.59 H new ATOM 0 HB VAL A 33 -8.375 3.154 -8.890 1.00 0.64 H new ATOM 0 HG11 VAL A 33 -7.771 4.056 -11.179 1.00 0.68 H new ATOM 0 HG12 VAL A 33 -7.101 5.050 -9.864 1.00 0.68 H new ATOM 0 HG13 VAL A 33 -6.051 3.916 -10.746 1.00 0.68 H new ATOM 0 HG21 VAL A 33 -8.181 1.718 -10.927 1.00 0.65 H new ATOM 0 HG22 VAL A 33 -6.481 1.397 -10.509 1.00 0.65 H new ATOM 0 HG23 VAL A 33 -7.782 0.843 -9.429 1.00 0.65 H new ATOM 497 N GLY A 34 -6.147 0.895 -6.838 1.00 0.60 N ATOM 498 CA GLY A 34 -6.420 -0.061 -5.764 1.00 0.61 C ATOM 499 C GLY A 34 -5.523 -1.291 -5.844 1.00 0.65 C ATOM 500 O GLY A 34 -4.529 -1.289 -6.570 1.00 0.68 O ATOM 0 H GLY A 34 -5.340 0.645 -7.409 1.00 0.60 H new ATOM 0 HA2 GLY A 34 -6.278 0.428 -4.800 1.00 0.61 H new ATOM 0 HA3 GLY A 34 -7.464 -0.371 -5.813 1.00 0.61 H new ATOM 504 N ALA A 35 -5.893 -2.353 -5.127 1.00 0.70 N ATOM 505 CA ALA A 35 -5.314 -3.689 -5.284 1.00 0.78 C ATOM 506 C ALA A 35 -6.313 -4.802 -4.890 1.00 0.78 C ATOM 507 O ALA A 35 -7.410 -4.481 -4.426 1.00 0.81 O ATOM 508 CB ALA A 35 -3.987 -3.777 -4.521 1.00 0.93 C ATOM 0 H ALA A 35 -6.616 -2.309 -4.409 1.00 0.70 H new ATOM 0 HA ALA A 35 -5.098 -3.855 -6.339 1.00 0.78 H new ATOM 0 HB1 ALA A 35 -3.563 -4.774 -4.643 1.00 0.93 H new ATOM 0 HB2 ALA A 35 -3.291 -3.036 -4.914 1.00 0.93 H new ATOM 0 HB3 ALA A 35 -4.162 -3.584 -3.463 1.00 0.93 H new ATOM 514 N ARG A 36 -5.955 -6.088 -5.029 1.00 0.85 N ATOM 515 CA ARG A 36 -6.728 -7.244 -4.517 1.00 0.77 C ATOM 516 C ARG A 36 -5.770 -8.331 -4.047 1.00 0.70 C ATOM 517 O ARG A 36 -4.683 -8.453 -4.586 1.00 0.77 O ATOM 518 CB ARG A 36 -7.674 -7.862 -5.567 1.00 1.03 C ATOM 519 CG ARG A 36 -8.795 -6.950 -6.072 1.00 1.79 C ATOM 520 CD ARG A 36 -9.807 -6.515 -4.999 1.00 3.09 C ATOM 521 NE ARG A 36 -10.716 -7.602 -4.553 1.00 4.00 N ATOM 522 CZ ARG A 36 -10.915 -7.995 -3.294 1.00 5.42 C ATOM 523 NH1 ARG A 36 -10.054 -7.724 -2.344 1.00 6.27 N ATOM 524 NH2 ARG A 36 -12.006 -8.648 -2.944 1.00 6.69 N ATOM 0 H ARG A 36 -5.100 -6.366 -5.511 1.00 0.85 H new ATOM 0 HA ARG A 36 -7.340 -6.863 -3.699 1.00 0.77 H new ATOM 0 HB2 ARG A 36 -7.078 -8.181 -6.422 1.00 1.03 H new ATOM 0 HB3 ARG A 36 -8.125 -8.758 -5.140 1.00 1.03 H new ATOM 0 HG2 ARG A 36 -8.348 -6.059 -6.512 1.00 1.79 H new ATOM 0 HG3 ARG A 36 -9.331 -7.465 -6.869 1.00 1.79 H new ATOM 0 HD2 ARG A 36 -9.264 -6.132 -4.135 1.00 3.09 H new ATOM 0 HD3 ARG A 36 -10.405 -5.692 -5.390 1.00 3.09 H new ATOM 0 HE ARG A 36 -11.237 -8.095 -5.278 1.00 4.00 H new ATOM 0 HH11 ARG A 36 -9.206 -7.200 -2.559 1.00 6.27 H new ATOM 0 HH12 ARG A 36 -10.232 -8.037 -1.390 1.00 6.27 H new ATOM 0 HH21 ARG A 36 -12.718 -8.862 -3.642 1.00 6.69 H new ATOM 0 HH22 ARG A 36 -12.137 -8.939 -1.975 1.00 6.69 H new ATOM 538 N THR A 37 -6.150 -9.106 -3.033 1.00 0.65 N ATOM 539 CA THR A 37 -5.277 -10.037 -2.308 1.00 0.58 C ATOM 540 C THR A 37 -6.133 -11.198 -1.792 1.00 0.60 C ATOM 541 O THR A 37 -7.313 -10.963 -1.525 1.00 0.63 O ATOM 542 CB THR A 37 -4.573 -9.290 -1.176 1.00 0.66 C ATOM 543 OG1 THR A 37 -3.691 -10.175 -0.550 1.00 0.69 O ATOM 544 CG2 THR A 37 -5.484 -8.685 -0.105 1.00 0.72 C ATOM 0 H THR A 37 -7.106 -9.106 -2.679 1.00 0.65 H new ATOM 0 HA THR A 37 -4.504 -10.445 -2.959 1.00 0.58 H new ATOM 0 HB THR A 37 -4.078 -8.443 -1.650 1.00 0.66 H new ATOM 0 HG1 THR A 37 -3.126 -9.682 0.081 1.00 0.69 H new ATOM 0 HG21 THR A 37 -4.877 -8.180 0.646 1.00 0.72 H new ATOM 0 HG22 THR A 37 -6.161 -7.967 -0.567 1.00 0.72 H new ATOM 0 HG23 THR A 37 -6.064 -9.477 0.369 1.00 0.72 H new ATOM 552 N PRO A 38 -5.596 -12.423 -1.617 1.00 0.68 N ATOM 553 CA PRO A 38 -6.359 -13.524 -1.040 1.00 0.73 C ATOM 554 C PRO A 38 -6.581 -13.384 0.468 1.00 0.76 C ATOM 555 O PRO A 38 -7.537 -13.953 0.982 1.00 0.90 O ATOM 556 CB PRO A 38 -5.547 -14.781 -1.353 1.00 0.84 C ATOM 557 CG PRO A 38 -4.110 -14.282 -1.454 1.00 0.86 C ATOM 558 CD PRO A 38 -4.287 -12.892 -2.059 1.00 0.79 C ATOM 0 HA PRO A 38 -7.362 -13.551 -1.465 1.00 0.73 H new ATOM 0 HB2 PRO A 38 -5.654 -15.530 -0.569 1.00 0.84 H new ATOM 0 HB3 PRO A 38 -5.874 -15.245 -2.284 1.00 0.84 H new ATOM 0 HG2 PRO A 38 -3.625 -14.242 -0.479 1.00 0.86 H new ATOM 0 HG3 PRO A 38 -3.500 -14.926 -2.087 1.00 0.86 H new ATOM 0 HD2 PRO A 38 -3.498 -12.218 -1.725 1.00 0.79 H new ATOM 0 HD3 PRO A 38 -4.234 -12.931 -3.147 1.00 0.79 H new ATOM 566 N VAL A 39 -5.718 -12.653 1.177 1.00 0.74 N ATOM 567 CA VAL A 39 -5.723 -12.612 2.660 1.00 0.81 C ATOM 568 C VAL A 39 -6.809 -11.711 3.275 1.00 0.88 C ATOM 569 O VAL A 39 -7.154 -11.886 4.441 1.00 1.22 O ATOM 570 CB VAL A 39 -4.348 -12.213 3.248 1.00 0.90 C ATOM 571 CG1 VAL A 39 -3.255 -13.128 2.674 1.00 0.97 C ATOM 572 CG2 VAL A 39 -3.999 -10.735 2.991 1.00 0.93 C ATOM 0 H VAL A 39 -4.995 -12.072 0.752 1.00 0.74 H new ATOM 0 HA VAL A 39 -5.958 -13.640 2.937 1.00 0.81 H new ATOM 0 HB VAL A 39 -4.406 -12.338 4.329 1.00 0.90 H new ATOM 0 HG11 VAL A 39 -2.288 -12.845 3.090 1.00 0.97 H new ATOM 0 HG12 VAL A 39 -3.473 -14.163 2.935 1.00 0.97 H new ATOM 0 HG13 VAL A 39 -3.228 -13.026 1.589 1.00 0.97 H new ATOM 0 HG21 VAL A 39 -3.025 -10.510 3.425 1.00 0.93 H new ATOM 0 HG22 VAL A 39 -3.970 -10.549 1.917 1.00 0.93 H new ATOM 0 HG23 VAL A 39 -4.756 -10.098 3.449 1.00 0.93 H new ATOM 582 N ALA A 40 -7.365 -10.765 2.506 1.00 0.69 N ATOM 583 CA ALA A 40 -8.286 -9.742 3.003 1.00 0.69 C ATOM 584 C ALA A 40 -9.442 -9.523 2.029 1.00 0.65 C ATOM 585 O ALA A 40 -9.288 -9.705 0.820 1.00 0.92 O ATOM 586 CB ALA A 40 -7.512 -8.442 3.237 1.00 0.88 C ATOM 0 H ALA A 40 -7.182 -10.691 1.505 1.00 0.69 H new ATOM 0 HA ALA A 40 -8.718 -10.078 3.946 1.00 0.69 H new ATOM 0 HB1 ALA A 40 -8.192 -7.675 3.607 1.00 0.88 H new ATOM 0 HB2 ALA A 40 -6.725 -8.614 3.971 1.00 0.88 H new ATOM 0 HB3 ALA A 40 -7.067 -8.110 2.299 1.00 0.88 H new ATOM 592 N GLU A 41 -10.603 -9.156 2.564 1.00 0.72 N ATOM 593 CA GLU A 41 -11.823 -9.033 1.786 1.00 0.85 C ATOM 594 C GLU A 41 -11.940 -7.647 1.144 1.00 0.89 C ATOM 595 O GLU A 41 -11.714 -7.487 -0.059 1.00 1.11 O ATOM 596 CB GLU A 41 -13.024 -9.408 2.673 1.00 1.01 C ATOM 597 CG GLU A 41 -14.329 -9.507 1.884 1.00 1.25 C ATOM 598 CD GLU A 41 -14.200 -10.566 0.785 1.00 2.01 C ATOM 599 OE1 GLU A 41 -14.456 -11.751 1.083 1.00 2.74 O ATOM 600 OE2 GLU A 41 -13.619 -10.272 -0.290 1.00 3.05 O ATOM 0 H GLU A 41 -10.720 -8.936 3.553 1.00 0.72 H new ATOM 0 HA GLU A 41 -11.803 -9.730 0.948 1.00 0.85 H new ATOM 0 HB2 GLU A 41 -12.826 -10.362 3.162 1.00 1.01 H new ATOM 0 HB3 GLU A 41 -13.136 -8.663 3.461 1.00 1.01 H new ATOM 0 HG2 GLU A 41 -15.149 -9.765 2.554 1.00 1.25 H new ATOM 0 HG3 GLU A 41 -14.570 -8.540 1.442 1.00 1.25 H new ATOM 607 N ARG A 42 -12.211 -6.631 1.966 1.00 0.88 N ATOM 608 CA ARG A 42 -12.108 -5.221 1.598 1.00 0.91 C ATOM 609 C ARG A 42 -10.630 -4.817 1.659 1.00 0.86 C ATOM 610 O ARG A 42 -9.871 -5.253 2.523 1.00 1.22 O ATOM 611 CB ARG A 42 -13.017 -4.403 2.534 1.00 1.03 C ATOM 612 CG ARG A 42 -12.768 -2.884 2.538 1.00 1.19 C ATOM 613 CD ARG A 42 -13.725 -2.169 3.503 1.00 1.35 C ATOM 614 NE ARG A 42 -15.107 -2.116 2.987 1.00 1.92 N ATOM 615 CZ ARG A 42 -15.618 -1.149 2.231 1.00 2.75 C ATOM 616 NH1 ARG A 42 -14.942 -0.073 1.890 1.00 3.33 N ATOM 617 NH2 ARG A 42 -16.851 -1.254 1.778 1.00 3.84 N ATOM 0 H ARG A 42 -12.516 -6.772 2.929 1.00 0.88 H new ATOM 0 HA ARG A 42 -12.451 -5.028 0.581 1.00 0.91 H new ATOM 0 HB2 ARG A 42 -14.055 -4.583 2.253 1.00 1.03 H new ATOM 0 HB3 ARG A 42 -12.893 -4.777 3.550 1.00 1.03 H new ATOM 0 HG2 ARG A 42 -11.737 -2.682 2.828 1.00 1.19 H new ATOM 0 HG3 ARG A 42 -12.899 -2.488 1.531 1.00 1.19 H new ATOM 0 HD2 ARG A 42 -13.718 -2.683 4.464 1.00 1.35 H new ATOM 0 HD3 ARG A 42 -13.367 -1.155 3.681 1.00 1.35 H new ATOM 0 HE ARG A 42 -15.725 -2.890 3.232 1.00 1.92 H new ATOM 0 HH11 ARG A 42 -13.980 0.047 2.208 1.00 3.33 H new ATOM 0 HH12 ARG A 42 -15.380 0.641 1.308 1.00 3.33 H new ATOM 0 HH21 ARG A 42 -17.410 -2.075 2.008 1.00 3.84 H new ATOM 0 HH22 ARG A 42 -17.246 -0.514 1.198 1.00 3.84 H new ATOM 631 N VAL A 43 -10.219 -3.972 0.722 1.00 0.73 N ATOM 632 CA VAL A 43 -8.849 -3.473 0.585 1.00 0.71 C ATOM 633 C VAL A 43 -8.895 -2.120 -0.107 1.00 0.80 C ATOM 634 O VAL A 43 -9.668 -1.940 -1.048 1.00 1.05 O ATOM 635 CB VAL A 43 -7.912 -4.481 -0.127 1.00 1.09 C ATOM 636 CG1 VAL A 43 -8.494 -4.980 -1.456 1.00 1.47 C ATOM 637 CG2 VAL A 43 -6.501 -3.924 -0.382 1.00 1.19 C ATOM 0 H VAL A 43 -10.848 -3.600 0.011 1.00 0.73 H new ATOM 0 HA VAL A 43 -8.413 -3.351 1.576 1.00 0.71 H new ATOM 0 HB VAL A 43 -7.831 -5.316 0.569 1.00 1.09 H new ATOM 0 HG11 VAL A 43 -7.800 -5.684 -1.916 1.00 1.47 H new ATOM 0 HG12 VAL A 43 -9.446 -5.477 -1.272 1.00 1.47 H new ATOM 0 HG13 VAL A 43 -8.650 -4.134 -2.126 1.00 1.47 H new ATOM 0 HG21 VAL A 43 -5.896 -4.680 -0.883 1.00 1.19 H new ATOM 0 HG22 VAL A 43 -6.568 -3.037 -1.012 1.00 1.19 H new ATOM 0 HG23 VAL A 43 -6.037 -3.660 0.568 1.00 1.19 H new ATOM 647 N GLU A 44 -8.126 -1.162 0.409 1.00 0.80 N ATOM 648 CA GLU A 44 -8.208 0.261 0.055 1.00 0.91 C ATOM 649 C GLU A 44 -6.821 0.894 0.099 1.00 0.87 C ATOM 650 O GLU A 44 -6.063 0.627 1.032 1.00 0.90 O ATOM 651 CB GLU A 44 -9.074 1.009 1.080 1.00 0.97 C ATOM 652 CG GLU A 44 -10.554 0.616 1.062 1.00 1.14 C ATOM 653 CD GLU A 44 -11.336 1.260 2.204 1.00 1.31 C ATOM 654 OE1 GLU A 44 -10.901 2.309 2.733 1.00 2.02 O ATOM 655 OE2 GLU A 44 -12.405 0.689 2.524 1.00 2.13 O ATOM 0 H GLU A 44 -7.407 -1.357 1.105 1.00 0.80 H new ATOM 0 HA GLU A 44 -8.636 0.332 -0.945 1.00 0.91 H new ATOM 0 HB2 GLU A 44 -8.674 0.827 2.078 1.00 0.97 H new ATOM 0 HB3 GLU A 44 -8.992 2.080 0.894 1.00 0.97 H new ATOM 0 HG2 GLU A 44 -10.995 0.912 0.110 1.00 1.14 H new ATOM 0 HG3 GLU A 44 -10.641 -0.468 1.131 1.00 1.14 H new ATOM 662 N LEU A 45 -6.479 1.766 -0.859 1.00 0.81 N ATOM 663 CA LEU A 45 -5.287 2.590 -0.756 1.00 0.75 C ATOM 664 C LEU A 45 -5.550 3.825 0.109 1.00 0.72 C ATOM 665 O LEU A 45 -6.398 4.675 -0.188 1.00 0.71 O ATOM 666 CB LEU A 45 -4.775 2.910 -2.163 1.00 0.75 C ATOM 667 CG LEU A 45 -3.292 3.316 -2.122 1.00 0.74 C ATOM 668 CD1 LEU A 45 -2.614 2.959 -3.433 1.00 0.74 C ATOM 669 CD2 LEU A 45 -3.117 4.817 -1.957 1.00 0.78 C ATOM 0 H LEU A 45 -7.018 1.913 -1.712 1.00 0.81 H new ATOM 0 HA LEU A 45 -4.492 2.048 -0.243 1.00 0.75 H new ATOM 0 HB2 LEU A 45 -4.902 2.040 -2.808 1.00 0.75 H new ATOM 0 HB3 LEU A 45 -5.366 3.717 -2.596 1.00 0.75 H new ATOM 0 HG LEU A 45 -2.856 2.787 -1.275 1.00 0.74 H new ATOM 0 HD11 LEU A 45 -1.565 3.251 -3.391 1.00 0.74 H new ATOM 0 HD12 LEU A 45 -2.685 1.884 -3.598 1.00 0.74 H new ATOM 0 HD13 LEU A 45 -3.105 3.485 -4.252 1.00 0.74 H new ATOM 0 HD21 LEU A 45 -2.054 5.059 -1.933 1.00 0.78 H new ATOM 0 HD22 LEU A 45 -3.588 5.332 -2.794 1.00 0.78 H new ATOM 0 HD23 LEU A 45 -3.583 5.137 -1.025 1.00 0.78 H new ATOM 681 N HIS A 46 -4.785 3.904 1.189 1.00 0.72 N ATOM 682 CA HIS A 46 -4.760 5.000 2.145 1.00 0.72 C ATOM 683 C HIS A 46 -3.430 5.785 2.077 1.00 0.67 C ATOM 684 O HIS A 46 -2.393 5.291 1.629 1.00 0.68 O ATOM 685 CB HIS A 46 -5.023 4.454 3.567 1.00 0.84 C ATOM 686 CG HIS A 46 -6.451 4.096 3.947 1.00 0.88 C ATOM 687 ND1 HIS A 46 -6.981 4.252 5.233 1.00 0.96 N ATOM 688 CD2 HIS A 46 -7.430 3.582 3.149 1.00 0.93 C ATOM 689 CE1 HIS A 46 -8.235 3.771 5.175 1.00 1.03 C ATOM 690 NE2 HIS A 46 -8.525 3.337 3.942 1.00 1.01 N ATOM 0 H HIS A 46 -4.129 3.163 1.434 1.00 0.72 H new ATOM 0 HA HIS A 46 -5.551 5.704 1.888 1.00 0.72 H new ATOM 0 HB2 HIS A 46 -4.410 3.563 3.700 1.00 0.84 H new ATOM 0 HB3 HIS A 46 -4.665 5.197 4.280 1.00 0.84 H new ATOM 0 HD2 HIS A 46 -7.358 3.400 2.087 1.00 0.93 H new ATOM 0 HE1 HIS A 46 -8.917 3.739 6.011 1.00 1.03 H new ATOM 0 HE2 HIS A 46 -9.399 2.904 3.645 1.00 1.01 H new ATOM 698 N GLU A 47 -3.483 7.025 2.545 1.00 0.67 N ATOM 699 CA GLU A 47 -2.352 7.935 2.741 1.00 0.68 C ATOM 700 C GLU A 47 -2.107 8.173 4.240 1.00 0.64 C ATOM 701 O GLU A 47 -2.965 7.845 5.067 1.00 0.66 O ATOM 702 CB GLU A 47 -2.623 9.264 2.018 1.00 0.79 C ATOM 703 CG GLU A 47 -3.952 9.889 2.452 1.00 0.95 C ATOM 704 CD GLU A 47 -4.094 11.327 1.991 1.00 1.18 C ATOM 705 OE1 GLU A 47 -4.014 11.590 0.773 1.00 2.43 O ATOM 706 OE2 GLU A 47 -4.422 12.171 2.858 1.00 1.59 O ATOM 0 H GLU A 47 -4.369 7.452 2.816 1.00 0.67 H new ATOM 0 HA GLU A 47 -1.455 7.482 2.319 1.00 0.68 H new ATOM 0 HB2 GLU A 47 -1.810 9.961 2.222 1.00 0.79 H new ATOM 0 HB3 GLU A 47 -2.635 9.096 0.941 1.00 0.79 H new ATOM 0 HG2 GLU A 47 -4.776 9.299 2.051 1.00 0.95 H new ATOM 0 HG3 GLU A 47 -4.031 9.849 3.538 1.00 0.95 H new ATOM 713 N THR A 48 -0.965 8.788 4.562 1.00 0.78 N ATOM 714 CA THR A 48 -0.565 9.264 5.890 1.00 0.86 C ATOM 715 C THR A 48 -0.173 10.740 5.771 1.00 0.94 C ATOM 716 O THR A 48 0.915 11.061 5.300 1.00 1.00 O ATOM 717 CB THR A 48 0.604 8.436 6.438 1.00 0.99 C ATOM 718 OG1 THR A 48 0.324 7.057 6.338 1.00 1.15 O ATOM 719 CG2 THR A 48 0.857 8.753 7.913 1.00 1.15 C ATOM 0 H THR A 48 -0.251 8.979 3.859 1.00 0.78 H new ATOM 0 HA THR A 48 -1.395 9.154 6.587 1.00 0.86 H new ATOM 0 HB THR A 48 1.483 8.691 5.846 1.00 0.99 H new ATOM 0 HG1 THR A 48 1.120 6.543 6.588 1.00 1.15 H new ATOM 0 HG21 THR A 48 1.691 8.152 8.276 1.00 1.15 H new ATOM 0 HG22 THR A 48 1.097 9.811 8.022 1.00 1.15 H new ATOM 0 HG23 THR A 48 -0.036 8.522 8.493 1.00 1.15 H new ATOM 727 N PHE A 49 -1.069 11.646 6.163 1.00 1.12 N ATOM 728 CA PHE A 49 -0.969 13.082 5.881 1.00 1.23 C ATOM 729 C PHE A 49 -0.385 13.905 7.037 1.00 1.19 C ATOM 730 O PHE A 49 -0.506 13.559 8.211 1.00 1.15 O ATOM 731 CB PHE A 49 -2.350 13.623 5.475 1.00 1.28 C ATOM 732 CG PHE A 49 -3.450 13.431 6.503 1.00 1.21 C ATOM 733 CD1 PHE A 49 -3.594 14.320 7.586 1.00 1.89 C ATOM 734 CD2 PHE A 49 -4.342 12.355 6.371 1.00 2.45 C ATOM 735 CE1 PHE A 49 -4.627 14.141 8.522 1.00 1.94 C ATOM 736 CE2 PHE A 49 -5.384 12.182 7.294 1.00 2.45 C ATOM 737 CZ PHE A 49 -5.528 13.074 8.364 1.00 1.26 C ATOM 0 H PHE A 49 -1.903 11.399 6.697 1.00 1.12 H new ATOM 0 HA PHE A 49 -0.262 13.192 5.058 1.00 1.23 H new ATOM 0 HB2 PHE A 49 -2.256 14.688 5.262 1.00 1.28 H new ATOM 0 HB3 PHE A 49 -2.654 13.138 4.547 1.00 1.28 H new ATOM 0 HD1 PHE A 49 -2.906 15.145 7.698 1.00 1.89 H new ATOM 0 HD2 PHE A 49 -4.225 11.657 5.555 1.00 2.45 H new ATOM 0 HE1 PHE A 49 -4.728 14.819 9.357 1.00 1.94 H new ATOM 0 HE2 PHE A 49 -6.076 11.360 7.179 1.00 2.45 H new ATOM 0 HZ PHE A 49 -6.334 12.941 9.070 1.00 1.26 H new ATOM 747 N MET A 50 0.175 15.071 6.699 1.00 1.30 N ATOM 748 CA MET A 50 0.533 16.116 7.666 1.00 1.33 C ATOM 749 C MET A 50 -0.656 17.036 7.965 1.00 1.24 C ATOM 750 O MET A 50 -1.503 17.278 7.103 1.00 1.85 O ATOM 751 CB MET A 50 1.754 16.910 7.174 1.00 1.85 C ATOM 752 CG MET A 50 1.468 17.777 5.939 1.00 3.17 C ATOM 753 SD MET A 50 2.874 18.777 5.399 1.00 4.00 S ATOM 754 CE MET A 50 3.909 17.491 4.653 1.00 3.63 C ATOM 0 H MET A 50 0.395 15.319 5.735 1.00 1.30 H new ATOM 0 HA MET A 50 0.803 15.631 8.604 1.00 1.33 H new ATOM 0 HB2 MET A 50 2.110 17.549 7.982 1.00 1.85 H new ATOM 0 HB3 MET A 50 2.559 16.214 6.940 1.00 1.85 H new ATOM 0 HG2 MET A 50 1.159 17.130 5.118 1.00 3.17 H new ATOM 0 HG3 MET A 50 0.629 18.437 6.158 1.00 3.17 H new ATOM 0 HE1 MET A 50 4.772 17.952 4.173 1.00 3.63 H new ATOM 0 HE2 MET A 50 4.248 16.803 5.427 1.00 3.63 H new ATOM 0 HE3 MET A 50 3.330 16.944 3.909 1.00 3.63 H new ATOM 764 N ARG A 51 -0.705 17.559 9.191 1.00 1.15 N ATOM 765 CA ARG A 51 -1.745 18.462 9.685 1.00 1.37 C ATOM 766 C ARG A 51 -1.264 19.235 10.921 1.00 1.46 C ATOM 767 O ARG A 51 -0.295 18.851 11.585 1.00 1.75 O ATOM 768 CB ARG A 51 -3.038 17.669 9.989 1.00 1.93 C ATOM 769 CG ARG A 51 -4.308 18.274 9.367 1.00 2.50 C ATOM 770 CD ARG A 51 -4.346 18.156 7.835 1.00 2.55 C ATOM 771 NE ARG A 51 -5.694 18.439 7.312 1.00 3.53 N ATOM 772 CZ ARG A 51 -6.236 19.629 7.074 1.00 4.47 C ATOM 773 NH1 ARG A 51 -5.568 20.754 7.226 1.00 5.33 N ATOM 774 NH2 ARG A 51 -7.488 19.699 6.676 1.00 5.54 N ATOM 0 H ARG A 51 0.006 17.357 9.894 1.00 1.15 H new ATOM 0 HA ARG A 51 -1.965 19.194 8.908 1.00 1.37 H new ATOM 0 HB2 ARG A 51 -2.919 16.648 9.625 1.00 1.93 H new ATOM 0 HB3 ARG A 51 -3.169 17.609 11.069 1.00 1.93 H new ATOM 0 HG2 ARG A 51 -5.183 17.776 9.785 1.00 2.50 H new ATOM 0 HG3 ARG A 51 -4.376 19.325 9.646 1.00 2.50 H new ATOM 0 HD2 ARG A 51 -3.630 18.851 7.396 1.00 2.55 H new ATOM 0 HD3 ARG A 51 -4.041 17.153 7.537 1.00 2.55 H new ATOM 0 HE ARG A 51 -6.279 17.628 7.109 1.00 3.53 H new ATOM 0 HH11 ARG A 51 -4.597 20.732 7.537 1.00 5.33 H new ATOM 0 HH12 ARG A 51 -6.022 21.647 7.032 1.00 5.33 H new ATOM 0 HH21 ARG A 51 -8.033 18.845 6.553 1.00 5.54 H new ATOM 0 HH22 ARG A 51 -7.914 20.607 6.490 1.00 5.54 H new ATOM 788 N GLU A 52 -1.988 20.300 11.234 1.00 1.59 N ATOM 789 CA GLU A 52 -1.813 21.151 12.404 1.00 1.71 C ATOM 790 C GLU A 52 -3.148 21.295 13.114 1.00 1.78 C ATOM 791 O GLU A 52 -4.198 21.151 12.485 1.00 1.88 O ATOM 792 CB GLU A 52 -1.333 22.543 11.973 1.00 1.82 C ATOM 793 CG GLU A 52 0.192 22.552 11.924 1.00 2.49 C ATOM 794 CD GLU A 52 0.825 22.716 13.298 1.00 3.33 C ATOM 795 OE1 GLU A 52 0.159 23.325 14.159 1.00 4.22 O ATOM 796 OE2 GLU A 52 1.925 22.167 13.500 1.00 4.17 O ATOM 0 H GLU A 52 -2.759 20.612 10.644 1.00 1.59 H new ATOM 0 HA GLU A 52 -1.074 20.701 13.067 1.00 1.71 H new ATOM 0 HB2 GLU A 52 -1.742 22.796 10.995 1.00 1.82 H new ATOM 0 HB3 GLU A 52 -1.691 23.298 12.673 1.00 1.82 H new ATOM 0 HG2 GLU A 52 0.542 21.622 11.476 1.00 2.49 H new ATOM 0 HG3 GLU A 52 0.525 23.363 11.276 1.00 2.49 H new ATOM 803 N VAL A 53 -3.062 21.635 14.394 1.00 1.91 N ATOM 804 CA VAL A 53 -4.189 22.062 15.251 1.00 2.19 C ATOM 805 C VAL A 53 -3.622 22.952 16.358 1.00 2.73 C ATOM 806 O VAL A 53 -2.713 22.532 17.071 1.00 4.26 O ATOM 807 CB VAL A 53 -4.988 20.894 15.903 1.00 2.13 C ATOM 808 CG1 VAL A 53 -6.182 21.443 16.713 1.00 2.56 C ATOM 809 CG2 VAL A 53 -5.556 19.866 14.907 1.00 2.29 C ATOM 0 H VAL A 53 -2.174 21.624 14.895 1.00 1.91 H new ATOM 0 HA VAL A 53 -4.898 22.584 14.608 1.00 2.19 H new ATOM 0 HB VAL A 53 -4.257 20.385 16.531 1.00 2.13 H new ATOM 0 HG11 VAL A 53 -6.729 20.614 17.162 1.00 2.56 H new ATOM 0 HG12 VAL A 53 -5.816 22.103 17.499 1.00 2.56 H new ATOM 0 HG13 VAL A 53 -6.845 22.000 16.051 1.00 2.56 H new ATOM 0 HG21 VAL A 53 -6.096 19.091 15.452 1.00 2.29 H new ATOM 0 HG22 VAL A 53 -6.236 20.365 14.217 1.00 2.29 H new ATOM 0 HG23 VAL A 53 -4.739 19.413 14.346 1.00 2.29 H new ATOM 819 N GLU A 54 -4.136 24.181 16.493 1.00 2.16 N ATOM 820 CA GLU A 54 -3.776 25.139 17.543 1.00 2.38 C ATOM 821 C GLU A 54 -2.283 25.555 17.543 1.00 2.42 C ATOM 822 O GLU A 54 -1.774 26.058 18.548 1.00 2.51 O ATOM 823 CB GLU A 54 -4.241 24.575 18.905 1.00 2.34 C ATOM 824 CG GLU A 54 -4.642 25.668 19.898 1.00 3.12 C ATOM 825 CD GLU A 54 -6.078 26.147 19.688 1.00 3.75 C ATOM 826 OE1 GLU A 54 -6.446 26.349 18.510 1.00 4.91 O ATOM 827 OE2 GLU A 54 -6.767 26.298 20.717 1.00 4.43 O ATOM 0 H GLU A 54 -4.839 24.547 15.851 1.00 2.16 H new ATOM 0 HA GLU A 54 -4.296 26.074 17.337 1.00 2.38 H new ATOM 0 HB2 GLU A 54 -5.088 23.908 18.746 1.00 2.34 H new ATOM 0 HB3 GLU A 54 -3.440 23.976 19.337 1.00 2.34 H new ATOM 0 HG2 GLU A 54 -4.533 25.290 20.914 1.00 3.12 H new ATOM 0 HG3 GLU A 54 -3.961 26.514 19.798 1.00 3.12 H new ATOM 834 N GLY A 55 -1.552 25.285 16.454 1.00 2.56 N ATOM 835 CA GLY A 55 -0.103 25.479 16.336 1.00 2.79 C ATOM 836 C GLY A 55 0.726 24.326 16.921 1.00 2.75 C ATOM 837 O GLY A 55 1.824 24.552 17.430 1.00 3.42 O ATOM 0 H GLY A 55 -1.969 24.912 15.601 1.00 2.56 H new ATOM 0 HA2 GLY A 55 0.153 25.601 15.284 1.00 2.79 H new ATOM 0 HA3 GLY A 55 0.173 26.405 16.841 1.00 2.79 H new ATOM 841 N LYS A 56 0.185 23.103 16.930 1.00 2.26 N ATOM 842 CA LYS A 56 0.865 21.859 17.206 1.00 2.24 C ATOM 843 C LYS A 56 0.704 20.864 16.035 1.00 2.06 C ATOM 844 O LYS A 56 -0.407 20.616 15.543 1.00 1.93 O ATOM 845 CB LYS A 56 0.238 21.271 18.472 1.00 2.13 C ATOM 846 CG LYS A 56 0.434 22.117 19.745 1.00 2.68 C ATOM 847 CD LYS A 56 -0.752 23.064 19.996 1.00 2.39 C ATOM 848 CE LYS A 56 -0.429 24.115 21.063 1.00 3.20 C ATOM 849 NZ LYS A 56 -1.487 25.152 21.115 1.00 3.83 N ATOM 0 H LYS A 56 -0.805 22.960 16.730 1.00 2.26 H new ATOM 0 HA LYS A 56 1.932 22.040 17.338 1.00 2.24 H new ATOM 0 HB2 LYS A 56 -0.830 21.138 18.303 1.00 2.13 H new ATOM 0 HB3 LYS A 56 0.660 20.281 18.643 1.00 2.13 H new ATOM 0 HG2 LYS A 56 0.559 21.457 20.603 1.00 2.68 H new ATOM 0 HG3 LYS A 56 1.351 22.700 19.655 1.00 2.68 H new ATOM 0 HD2 LYS A 56 -1.021 23.563 19.065 1.00 2.39 H new ATOM 0 HD3 LYS A 56 -1.620 22.484 20.309 1.00 2.39 H new ATOM 0 HE2 LYS A 56 -0.336 23.635 22.037 1.00 3.20 H new ATOM 0 HE3 LYS A 56 0.532 24.580 20.843 1.00 3.20 H new ATOM 0 HZ1 LYS A 56 -1.085 26.040 21.479 1.00 3.83 H new ATOM 0 HZ2 LYS A 56 -1.866 25.309 20.159 1.00 3.83 H new ATOM 0 HZ3 LYS A 56 -2.253 24.835 21.743 1.00 3.83 H new ATOM 863 N LYS A 57 1.800 20.198 15.659 1.00 2.16 N ATOM 864 CA LYS A 57 1.815 19.264 14.527 1.00 2.01 C ATOM 865 C LYS A 57 1.139 17.928 14.854 1.00 1.71 C ATOM 866 O LYS A 57 1.346 17.364 15.928 1.00 1.89 O ATOM 867 CB LYS A 57 3.254 19.071 13.998 1.00 2.39 C ATOM 868 CG LYS A 57 4.289 18.511 14.998 1.00 3.91 C ATOM 869 CD LYS A 57 4.822 17.103 14.675 1.00 5.51 C ATOM 870 CE LYS A 57 3.789 16.002 14.954 1.00 7.00 C ATOM 871 NZ LYS A 57 4.336 14.640 14.745 1.00 9.06 N ATOM 0 H LYS A 57 2.700 20.290 16.129 1.00 2.16 H new ATOM 0 HA LYS A 57 1.220 19.711 13.731 1.00 2.01 H new ATOM 0 HB2 LYS A 57 3.214 18.402 13.138 1.00 2.39 H new ATOM 0 HB3 LYS A 57 3.616 20.033 13.636 1.00 2.39 H new ATOM 0 HG2 LYS A 57 5.133 19.199 15.045 1.00 3.91 H new ATOM 0 HG3 LYS A 57 3.838 18.492 15.990 1.00 3.91 H new ATOM 0 HD2 LYS A 57 5.117 17.062 13.626 1.00 5.51 H new ATOM 0 HD3 LYS A 57 5.718 16.913 15.266 1.00 5.51 H new ATOM 0 HE2 LYS A 57 3.435 16.093 15.981 1.00 7.00 H new ATOM 0 HE3 LYS A 57 2.926 16.146 14.305 1.00 7.00 H new ATOM 0 HZ1 LYS A 57 3.957 13.999 15.471 1.00 9.06 H new ATOM 0 HZ2 LYS A 57 4.062 14.297 13.802 1.00 9.06 H new ATOM 0 HZ3 LYS A 57 5.373 14.668 14.815 1.00 9.06 H new ATOM 885 N VAL A 58 0.456 17.341 13.872 1.00 1.50 N ATOM 886 CA VAL A 58 -0.140 15.997 13.959 1.00 1.38 C ATOM 887 C VAL A 58 -0.138 15.317 12.586 1.00 1.20 C ATOM 888 O VAL A 58 -0.131 15.989 11.555 1.00 1.22 O ATOM 889 CB VAL A 58 -1.552 16.060 14.602 1.00 1.41 C ATOM 890 CG1 VAL A 58 -2.580 16.775 13.711 1.00 2.00 C ATOM 891 CG2 VAL A 58 -2.075 14.668 14.988 1.00 3.17 C ATOM 0 H VAL A 58 0.295 17.792 12.971 1.00 1.50 H new ATOM 0 HA VAL A 58 0.471 15.378 14.616 1.00 1.38 H new ATOM 0 HB VAL A 58 -1.430 16.649 15.511 1.00 1.41 H new ATOM 0 HG11 VAL A 58 -3.548 16.789 14.212 1.00 2.00 H new ATOM 0 HG12 VAL A 58 -2.252 17.798 13.526 1.00 2.00 H new ATOM 0 HG13 VAL A 58 -2.670 16.246 12.762 1.00 2.00 H new ATOM 0 HG21 VAL A 58 -3.065 14.762 15.434 1.00 3.17 H new ATOM 0 HG22 VAL A 58 -2.136 14.042 14.098 1.00 3.17 H new ATOM 0 HG23 VAL A 58 -1.395 14.211 15.707 1.00 3.17 H new ATOM 901 N MET A 59 -0.109 13.983 12.571 1.00 1.22 N ATOM 902 CA MET A 59 -0.191 13.165 11.358 1.00 1.15 C ATOM 903 C MET A 59 -1.325 12.148 11.493 1.00 1.22 C ATOM 904 O MET A 59 -1.426 11.486 12.523 1.00 1.72 O ATOM 905 CB MET A 59 1.136 12.440 11.068 1.00 1.43 C ATOM 906 CG MET A 59 2.241 13.379 10.563 1.00 2.25 C ATOM 907 SD MET A 59 3.044 14.442 11.799 1.00 2.95 S ATOM 908 CE MET A 59 3.344 15.885 10.755 1.00 4.00 C ATOM 0 H MET A 59 -0.026 13.427 13.422 1.00 1.22 H new ATOM 0 HA MET A 59 -0.394 13.831 10.519 1.00 1.15 H new ATOM 0 HB2 MET A 59 1.477 11.944 11.976 1.00 1.43 H new ATOM 0 HB3 MET A 59 0.962 11.661 10.325 1.00 1.43 H new ATOM 0 HG2 MET A 59 3.011 12.772 10.086 1.00 2.25 H new ATOM 0 HG3 MET A 59 1.815 14.019 9.790 1.00 2.25 H new ATOM 0 HE1 MET A 59 3.838 16.661 11.340 1.00 4.00 H new ATOM 0 HE2 MET A 59 3.981 15.602 9.917 1.00 4.00 H new ATOM 0 HE3 MET A 59 2.395 16.265 10.377 1.00 4.00 H new ATOM 918 N GLY A 60 -2.172 12.049 10.463 1.00 0.95 N ATOM 919 CA GLY A 60 -3.328 11.138 10.405 1.00 1.01 C ATOM 920 C GLY A 60 -3.310 10.255 9.158 1.00 0.95 C ATOM 921 O GLY A 60 -2.398 10.366 8.347 1.00 1.26 O ATOM 0 H GLY A 60 -2.072 12.615 9.621 1.00 0.95 H new ATOM 0 HA2 GLY A 60 -3.335 10.507 11.294 1.00 1.01 H new ATOM 0 HA3 GLY A 60 -4.249 11.722 10.421 1.00 1.01 H new ATOM 925 N MET A 61 -4.320 9.394 8.998 1.00 0.80 N ATOM 926 CA MET A 61 -4.494 8.509 7.830 1.00 0.73 C ATOM 927 C MET A 61 -5.933 8.561 7.288 1.00 0.74 C ATOM 928 O MET A 61 -6.855 8.950 8.008 1.00 0.83 O ATOM 929 CB MET A 61 -4.119 7.060 8.195 1.00 0.82 C ATOM 930 CG MET A 61 -2.624 6.890 8.489 1.00 0.98 C ATOM 931 SD MET A 61 -2.188 5.258 9.138 1.00 2.83 S ATOM 932 CE MET A 61 -0.465 5.574 9.595 1.00 2.17 C ATOM 0 H MET A 61 -5.060 9.287 9.691 1.00 0.80 H new ATOM 0 HA MET A 61 -3.827 8.866 7.045 1.00 0.73 H new ATOM 0 HB2 MET A 61 -4.694 6.749 9.067 1.00 0.82 H new ATOM 0 HB3 MET A 61 -4.401 6.399 7.376 1.00 0.82 H new ATOM 0 HG2 MET A 61 -2.061 7.069 7.573 1.00 0.98 H new ATOM 0 HG3 MET A 61 -2.316 7.650 9.207 1.00 0.98 H new ATOM 0 HE1 MET A 61 -0.029 4.669 10.018 1.00 2.17 H new ATOM 0 HE2 MET A 61 0.098 5.869 8.710 1.00 2.17 H new ATOM 0 HE3 MET A 61 -0.425 6.375 10.333 1.00 2.17 H new ATOM 942 N ARG A 62 -6.123 8.177 6.019 1.00 0.74 N ATOM 943 CA ARG A 62 -7.412 8.182 5.294 1.00 0.74 C ATOM 944 C ARG A 62 -7.277 7.480 3.929 1.00 0.65 C ATOM 945 O ARG A 62 -6.165 7.465 3.399 1.00 0.67 O ATOM 946 CB ARG A 62 -7.943 9.619 5.088 1.00 0.85 C ATOM 947 CG ARG A 62 -6.937 10.529 4.367 1.00 1.97 C ATOM 948 CD ARG A 62 -7.533 11.856 3.896 1.00 1.91 C ATOM 949 NE ARG A 62 -8.164 11.677 2.575 1.00 2.77 N ATOM 950 CZ ARG A 62 -7.637 12.030 1.409 1.00 3.84 C ATOM 951 NH1 ARG A 62 -6.563 12.776 1.295 1.00 4.67 N ATOM 952 NH2 ARG A 62 -8.196 11.577 0.313 1.00 4.87 N ATOM 0 H ARG A 62 -5.354 7.839 5.440 1.00 0.74 H new ATOM 0 HA ARG A 62 -8.127 7.635 5.908 1.00 0.74 H new ATOM 0 HB2 ARG A 62 -8.868 9.580 4.513 1.00 0.85 H new ATOM 0 HB3 ARG A 62 -8.188 10.053 6.057 1.00 0.85 H new ATOM 0 HG2 ARG A 62 -6.102 10.734 5.037 1.00 1.97 H new ATOM 0 HG3 ARG A 62 -6.532 9.997 3.506 1.00 1.97 H new ATOM 0 HD2 ARG A 62 -8.270 12.211 4.617 1.00 1.91 H new ATOM 0 HD3 ARG A 62 -6.753 12.615 3.837 1.00 1.91 H new ATOM 0 HE ARG A 62 -9.087 11.244 2.556 1.00 2.77 H new ATOM 0 HH11 ARG A 62 -6.088 13.117 2.131 1.00 4.67 H new ATOM 0 HH12 ARG A 62 -6.204 13.015 0.371 1.00 4.67 H new ATOM 0 HH21 ARG A 62 -9.014 10.970 0.371 1.00 4.87 H new ATOM 0 HH22 ARG A 62 -7.813 11.831 -0.598 1.00 4.87 H new ATOM 966 N PRO A 63 -8.360 6.972 3.308 1.00 0.63 N ATOM 967 CA PRO A 63 -8.306 6.513 1.929 1.00 0.59 C ATOM 968 C PRO A 63 -8.182 7.674 0.940 1.00 0.54 C ATOM 969 O PRO A 63 -8.654 8.787 1.190 1.00 0.56 O ATOM 970 CB PRO A 63 -9.555 5.683 1.663 1.00 0.70 C ATOM 971 CG PRO A 63 -10.406 5.816 2.920 1.00 0.79 C ATOM 972 CD PRO A 63 -9.703 6.817 3.838 1.00 0.73 C ATOM 0 HA PRO A 63 -7.414 5.904 1.783 1.00 0.59 H new ATOM 0 HB2 PRO A 63 -10.090 6.048 0.786 1.00 0.70 H new ATOM 0 HB3 PRO A 63 -9.300 4.641 1.470 1.00 0.70 H new ATOM 0 HG2 PRO A 63 -11.409 6.161 2.671 1.00 0.79 H new ATOM 0 HG3 PRO A 63 -10.515 4.851 3.415 1.00 0.79 H new ATOM 0 HD2 PRO A 63 -10.230 7.771 3.851 1.00 0.73 H new ATOM 0 HD3 PRO A 63 -9.677 6.453 4.865 1.00 0.73 H new ATOM 980 N VAL A 64 -7.600 7.359 -0.214 1.00 0.56 N ATOM 981 CA VAL A 64 -7.637 8.168 -1.446 1.00 0.63 C ATOM 982 C VAL A 64 -8.337 7.375 -2.565 1.00 0.65 C ATOM 983 O VAL A 64 -8.311 6.144 -2.532 1.00 0.61 O ATOM 984 CB VAL A 64 -6.229 8.586 -1.939 1.00 0.76 C ATOM 985 CG1 VAL A 64 -5.755 9.835 -1.195 1.00 0.84 C ATOM 986 CG2 VAL A 64 -5.175 7.475 -1.817 1.00 0.79 C ATOM 0 H VAL A 64 -7.065 6.498 -0.329 1.00 0.56 H new ATOM 0 HA VAL A 64 -8.187 9.078 -1.206 1.00 0.63 H new ATOM 0 HB VAL A 64 -6.334 8.798 -3.003 1.00 0.76 H new ATOM 0 HG11 VAL A 64 -4.764 10.117 -1.552 1.00 0.84 H new ATOM 0 HG12 VAL A 64 -6.452 10.653 -1.376 1.00 0.84 H new ATOM 0 HG13 VAL A 64 -5.710 9.627 -0.126 1.00 0.84 H new ATOM 0 HG21 VAL A 64 -4.216 7.842 -2.181 1.00 0.79 H new ATOM 0 HG22 VAL A 64 -5.077 7.179 -0.772 1.00 0.79 H new ATOM 0 HG23 VAL A 64 -5.483 6.614 -2.411 1.00 0.79 H new ATOM 996 N PRO A 65 -8.931 8.049 -3.568 1.00 0.76 N ATOM 997 CA PRO A 65 -9.489 7.390 -4.747 1.00 0.82 C ATOM 998 C PRO A 65 -8.410 6.849 -5.704 1.00 0.76 C ATOM 999 O PRO A 65 -8.759 6.117 -6.625 1.00 0.76 O ATOM 1000 CB PRO A 65 -10.360 8.457 -5.416 1.00 1.00 C ATOM 1001 CG PRO A 65 -9.665 9.766 -5.045 1.00 1.01 C ATOM 1002 CD PRO A 65 -9.144 9.489 -3.638 1.00 0.86 C ATOM 0 HA PRO A 65 -10.060 6.504 -4.468 1.00 0.82 H new ATOM 0 HB2 PRO A 65 -10.406 8.319 -6.496 1.00 1.00 H new ATOM 0 HB3 PRO A 65 -11.385 8.428 -5.047 1.00 1.00 H new ATOM 0 HG2 PRO A 65 -8.856 10.004 -5.736 1.00 1.01 H new ATOM 0 HG3 PRO A 65 -10.356 10.609 -5.061 1.00 1.01 H new ATOM 0 HD2 PRO A 65 -8.217 10.031 -3.451 1.00 0.86 H new ATOM 0 HD3 PRO A 65 -9.861 9.815 -2.885 1.00 0.86 H new ATOM 1010 N PHE A 66 -7.130 7.201 -5.499 1.00 0.73 N ATOM 1011 CA PHE A 66 -5.971 6.783 -6.290 1.00 0.67 C ATOM 1012 C PHE A 66 -4.676 7.353 -5.689 1.00 0.67 C ATOM 1013 O PHE A 66 -4.675 8.392 -5.031 1.00 0.75 O ATOM 1014 CB PHE A 66 -6.117 7.191 -7.780 1.00 0.64 C ATOM 1015 CG PHE A 66 -6.371 8.674 -8.006 1.00 0.71 C ATOM 1016 CD1 PHE A 66 -5.305 9.591 -7.960 1.00 1.66 C ATOM 1017 CD2 PHE A 66 -7.684 9.148 -8.191 1.00 2.44 C ATOM 1018 CE1 PHE A 66 -5.560 10.972 -7.978 1.00 1.72 C ATOM 1019 CE2 PHE A 66 -7.939 10.532 -8.234 1.00 2.60 C ATOM 1020 CZ PHE A 66 -6.882 11.444 -8.077 1.00 1.26 C ATOM 0 H PHE A 66 -6.866 7.820 -4.732 1.00 0.73 H new ATOM 0 HA PHE A 66 -5.920 5.695 -6.256 1.00 0.67 H new ATOM 0 HB2 PHE A 66 -5.210 6.905 -8.312 1.00 0.64 H new ATOM 0 HB3 PHE A 66 -6.937 6.624 -8.220 1.00 0.64 H new ATOM 0 HD1 PHE A 66 -4.288 9.232 -7.911 1.00 1.66 H new ATOM 0 HD2 PHE A 66 -8.499 8.447 -8.300 1.00 2.44 H new ATOM 0 HE1 PHE A 66 -4.740 11.673 -7.916 1.00 1.72 H new ATOM 0 HE2 PHE A 66 -8.946 10.892 -8.387 1.00 2.60 H new ATOM 0 HZ PHE A 66 -7.083 12.504 -8.032 1.00 1.26 H new ATOM 1030 N LEU A 67 -3.561 6.706 -6.030 1.00 0.63 N ATOM 1031 CA LEU A 67 -2.242 7.320 -6.175 1.00 0.65 C ATOM 1032 C LEU A 67 -1.888 7.403 -7.663 1.00 0.69 C ATOM 1033 O LEU A 67 -2.541 6.781 -8.501 1.00 0.70 O ATOM 1034 CB LEU A 67 -1.189 6.469 -5.442 1.00 0.63 C ATOM 1035 CG LEU A 67 -0.763 7.010 -4.070 1.00 0.67 C ATOM 1036 CD1 LEU A 67 0.365 6.092 -3.581 1.00 1.01 C ATOM 1037 CD2 LEU A 67 -0.216 8.446 -4.126 1.00 0.94 C ATOM 0 H LEU A 67 -3.552 5.704 -6.220 1.00 0.63 H new ATOM 0 HA LEU A 67 -2.256 8.321 -5.743 1.00 0.65 H new ATOM 0 HB2 LEU A 67 -1.583 5.461 -5.313 1.00 0.63 H new ATOM 0 HB3 LEU A 67 -0.305 6.387 -6.074 1.00 0.63 H new ATOM 0 HG LEU A 67 -1.634 7.028 -3.415 1.00 0.67 H new ATOM 0 HD11 LEU A 67 0.711 6.429 -2.604 1.00 1.01 H new ATOM 0 HD12 LEU A 67 -0.006 5.070 -3.502 1.00 1.01 H new ATOM 0 HD13 LEU A 67 1.193 6.124 -4.289 1.00 1.01 H new ATOM 0 HD21 LEU A 67 0.067 8.767 -3.123 1.00 0.94 H new ATOM 0 HD22 LEU A 67 0.658 8.477 -4.777 1.00 0.94 H new ATOM 0 HD23 LEU A 67 -0.984 9.113 -4.518 1.00 0.94 H new ATOM 1049 N GLU A 68 -0.806 8.096 -8.014 1.00 0.77 N ATOM 1050 CA GLU A 68 -0.290 8.118 -9.382 1.00 0.86 C ATOM 1051 C GLU A 68 1.193 8.462 -9.427 1.00 0.96 C ATOM 1052 O GLU A 68 1.752 8.926 -8.438 1.00 1.03 O ATOM 1053 CB GLU A 68 -1.185 8.961 -10.303 1.00 1.05 C ATOM 1054 CG GLU A 68 -0.746 10.384 -10.629 1.00 1.30 C ATOM 1055 CD GLU A 68 -1.761 10.981 -11.611 1.00 1.53 C ATOM 1056 OE1 GLU A 68 -2.117 10.287 -12.597 1.00 2.47 O ATOM 1057 OE2 GLU A 68 -2.287 12.085 -11.346 1.00 2.06 O ATOM 0 H GLU A 68 -0.263 8.658 -7.359 1.00 0.77 H new ATOM 0 HA GLU A 68 -0.341 7.108 -9.789 1.00 0.86 H new ATOM 0 HB2 GLU A 68 -1.295 8.423 -11.244 1.00 1.05 H new ATOM 0 HB3 GLU A 68 -2.174 9.014 -9.849 1.00 1.05 H new ATOM 0 HG2 GLU A 68 -0.696 10.985 -9.721 1.00 1.30 H new ATOM 0 HG3 GLU A 68 0.252 10.384 -11.066 1.00 1.30 H new ATOM 1064 N VAL A 69 1.838 8.138 -10.547 1.00 0.99 N ATOM 1065 CA VAL A 69 3.294 8.000 -10.641 1.00 0.98 C ATOM 1066 C VAL A 69 3.758 8.373 -12.055 1.00 0.95 C ATOM 1067 O VAL A 69 3.156 7.893 -13.019 1.00 0.96 O ATOM 1068 CB VAL A 69 3.746 6.545 -10.328 1.00 1.00 C ATOM 1069 CG1 VAL A 69 5.264 6.466 -10.105 1.00 1.01 C ATOM 1070 CG2 VAL A 69 3.053 5.921 -9.101 1.00 1.07 C ATOM 0 H VAL A 69 1.358 7.961 -11.429 1.00 0.99 H new ATOM 0 HA VAL A 69 3.742 8.669 -9.907 1.00 0.98 H new ATOM 0 HB VAL A 69 3.451 5.975 -11.209 1.00 1.00 H new ATOM 0 HG11 VAL A 69 5.547 5.436 -9.888 1.00 1.01 H new ATOM 0 HG12 VAL A 69 5.782 6.803 -11.003 1.00 1.01 H new ATOM 0 HG13 VAL A 69 5.542 7.103 -9.265 1.00 1.01 H new ATOM 0 HG21 VAL A 69 3.423 4.907 -8.951 1.00 1.07 H new ATOM 0 HG22 VAL A 69 3.269 6.521 -8.217 1.00 1.07 H new ATOM 0 HG23 VAL A 69 1.976 5.893 -9.266 1.00 1.07 H new ATOM 1080 N PRO A 70 4.811 9.193 -12.219 1.00 0.96 N ATOM 1081 CA PRO A 70 5.323 9.541 -13.536 1.00 0.98 C ATOM 1082 C PRO A 70 6.018 8.345 -14.214 1.00 1.01 C ATOM 1083 O PRO A 70 6.292 7.332 -13.563 1.00 1.07 O ATOM 1084 CB PRO A 70 6.291 10.703 -13.296 1.00 0.99 C ATOM 1085 CG PRO A 70 6.806 10.446 -11.882 1.00 0.99 C ATOM 1086 CD PRO A 70 5.582 9.864 -11.179 1.00 0.98 C ATOM 0 HA PRO A 70 4.521 9.823 -14.218 1.00 0.98 H new ATOM 0 HB2 PRO A 70 7.102 10.708 -14.025 1.00 0.99 H new ATOM 0 HB3 PRO A 70 5.788 11.667 -13.372 1.00 0.99 H new ATOM 0 HG2 PRO A 70 7.645 9.750 -11.877 1.00 0.99 H new ATOM 0 HG3 PRO A 70 7.150 11.363 -11.403 1.00 0.99 H new ATOM 0 HD2 PRO A 70 5.876 9.164 -10.397 1.00 0.98 H new ATOM 0 HD3 PRO A 70 4.995 10.648 -10.701 1.00 0.98 H new ATOM 1094 N PRO A 71 6.333 8.456 -15.516 1.00 0.99 N ATOM 1095 CA PRO A 71 7.228 7.540 -16.211 1.00 0.94 C ATOM 1096 C PRO A 71 8.611 7.504 -15.562 1.00 0.92 C ATOM 1097 O PRO A 71 9.097 8.526 -15.079 1.00 0.96 O ATOM 1098 CB PRO A 71 7.247 7.983 -17.668 1.00 0.95 C ATOM 1099 CG PRO A 71 6.639 9.382 -17.700 1.00 1.04 C ATOM 1100 CD PRO A 71 5.854 9.502 -16.403 1.00 1.03 C ATOM 0 HA PRO A 71 6.879 6.509 -16.148 1.00 0.94 H new ATOM 0 HB2 PRO A 71 8.265 7.993 -18.058 1.00 0.95 H new ATOM 0 HB3 PRO A 71 6.674 7.296 -18.290 1.00 0.95 H new ATOM 0 HG2 PRO A 71 7.413 10.147 -17.765 1.00 1.04 H new ATOM 0 HG3 PRO A 71 5.991 9.510 -18.567 1.00 1.04 H new ATOM 0 HD2 PRO A 71 6.000 10.484 -15.954 1.00 1.03 H new ATOM 0 HD3 PRO A 71 4.785 9.391 -16.588 1.00 1.03 H new ATOM 1108 N LYS A 72 9.216 6.307 -15.515 1.00 0.91 N ATOM 1109 CA LYS A 72 10.534 6.024 -14.910 1.00 0.93 C ATOM 1110 C LYS A 72 10.560 6.202 -13.376 1.00 1.00 C ATOM 1111 O LYS A 72 11.606 6.069 -12.744 1.00 1.05 O ATOM 1112 CB LYS A 72 11.637 6.845 -15.607 1.00 0.95 C ATOM 1113 CG LYS A 72 11.648 6.689 -17.136 1.00 1.11 C ATOM 1114 CD LYS A 72 12.299 5.377 -17.600 1.00 0.89 C ATOM 1115 CE LYS A 72 12.178 5.204 -19.121 1.00 1.13 C ATOM 1116 NZ LYS A 72 10.847 4.693 -19.511 1.00 1.45 N ATOM 0 H LYS A 72 8.785 5.473 -15.913 1.00 0.91 H new ATOM 0 HA LYS A 72 10.735 4.966 -15.076 1.00 0.93 H new ATOM 0 HB2 LYS A 72 11.506 7.898 -15.359 1.00 0.95 H new ATOM 0 HB3 LYS A 72 12.607 6.543 -15.212 1.00 0.95 H new ATOM 0 HG2 LYS A 72 10.624 6.732 -17.508 1.00 1.11 H new ATOM 0 HG3 LYS A 72 12.183 7.530 -17.578 1.00 1.11 H new ATOM 0 HD2 LYS A 72 13.351 5.368 -17.313 1.00 0.89 H new ATOM 0 HD3 LYS A 72 11.824 4.535 -17.097 1.00 0.89 H new ATOM 0 HE2 LYS A 72 12.358 6.161 -19.611 1.00 1.13 H new ATOM 0 HE3 LYS A 72 12.948 4.517 -19.471 1.00 1.13 H new ATOM 0 HZ1 LYS A 72 10.862 4.414 -20.513 1.00 1.45 H new ATOM 0 HZ2 LYS A 72 10.607 3.868 -18.925 1.00 1.45 H new ATOM 0 HZ3 LYS A 72 10.134 5.437 -19.370 1.00 1.45 H new ATOM 1130 N GLY A 73 9.413 6.507 -12.765 1.00 1.04 N ATOM 1131 CA GLY A 73 9.253 6.845 -11.354 1.00 1.10 C ATOM 1132 C GLY A 73 9.111 5.615 -10.482 1.00 0.92 C ATOM 1133 O GLY A 73 8.105 4.914 -10.538 1.00 1.10 O ATOM 0 H GLY A 73 8.527 6.525 -13.270 1.00 1.04 H new ATOM 0 HA2 GLY A 73 10.113 7.426 -11.022 1.00 1.10 H new ATOM 0 HA3 GLY A 73 8.374 7.478 -11.232 1.00 1.10 H new ATOM 1137 N ARG A 74 10.102 5.432 -9.620 1.00 1.03 N ATOM 1138 CA ARG A 74 10.036 4.588 -8.422 1.00 0.98 C ATOM 1139 C ARG A 74 9.610 5.426 -7.215 1.00 1.02 C ATOM 1140 O ARG A 74 10.205 6.466 -6.951 1.00 1.19 O ATOM 1141 CB ARG A 74 11.387 3.886 -8.191 1.00 1.20 C ATOM 1142 CG ARG A 74 11.460 3.095 -6.871 1.00 1.40 C ATOM 1143 CD ARG A 74 12.778 2.317 -6.706 1.00 1.41 C ATOM 1144 NE ARG A 74 12.618 0.884 -7.013 1.00 2.47 N ATOM 1145 CZ ARG A 74 12.732 -0.155 -6.189 1.00 2.98 C ATOM 1146 NH1 ARG A 74 13.121 -0.024 -4.937 1.00 2.99 N ATOM 1147 NH2 ARG A 74 12.432 -1.359 -6.612 1.00 4.45 N ATOM 0 H ARG A 74 11.010 5.882 -9.735 1.00 1.03 H new ATOM 0 HA ARG A 74 9.286 3.810 -8.565 1.00 0.98 H new ATOM 0 HB2 ARG A 74 11.579 3.207 -9.022 1.00 1.20 H new ATOM 0 HB3 ARG A 74 12.180 4.633 -8.200 1.00 1.20 H new ATOM 0 HG2 ARG A 74 11.345 3.784 -6.034 1.00 1.40 H new ATOM 0 HG3 ARG A 74 10.624 2.396 -6.826 1.00 1.40 H new ATOM 0 HD2 ARG A 74 13.536 2.745 -7.362 1.00 1.41 H new ATOM 0 HD3 ARG A 74 13.140 2.430 -5.684 1.00 1.41 H new ATOM 0 HE ARG A 74 12.391 0.660 -7.982 1.00 2.47 H new ATOM 0 HH11 ARG A 74 13.347 0.899 -4.567 1.00 2.99 H new ATOM 0 HH12 ARG A 74 13.196 -0.846 -4.337 1.00 2.99 H new ATOM 0 HH21 ARG A 74 12.112 -1.498 -7.571 1.00 4.45 H new ATOM 0 HH22 ARG A 74 12.519 -2.157 -5.983 1.00 4.45 H new ATOM 1161 N VAL A 75 8.600 4.964 -6.483 1.00 0.95 N ATOM 1162 CA VAL A 75 7.988 5.631 -5.315 1.00 1.05 C ATOM 1163 C VAL A 75 7.557 4.593 -4.270 1.00 1.00 C ATOM 1164 O VAL A 75 7.351 3.434 -4.609 1.00 1.10 O ATOM 1165 CB VAL A 75 6.784 6.521 -5.710 1.00 1.34 C ATOM 1166 CG1 VAL A 75 7.190 7.673 -6.643 1.00 1.57 C ATOM 1167 CG2 VAL A 75 5.630 5.727 -6.345 1.00 1.38 C ATOM 0 H VAL A 75 8.157 4.069 -6.691 1.00 0.95 H new ATOM 0 HA VAL A 75 8.748 6.283 -4.885 1.00 1.05 H new ATOM 0 HB VAL A 75 6.426 6.941 -4.770 1.00 1.34 H new ATOM 0 HG11 VAL A 75 6.311 8.268 -6.891 1.00 1.57 H new ATOM 0 HG12 VAL A 75 7.926 8.304 -6.144 1.00 1.57 H new ATOM 0 HG13 VAL A 75 7.622 7.266 -7.557 1.00 1.57 H new ATOM 0 HG21 VAL A 75 4.817 6.407 -6.599 1.00 1.38 H new ATOM 0 HG22 VAL A 75 5.984 5.231 -7.249 1.00 1.38 H new ATOM 0 HG23 VAL A 75 5.270 4.980 -5.638 1.00 1.38 H new ATOM 1177 N GLU A 76 7.426 4.974 -2.996 1.00 1.12 N ATOM 1178 CA GLU A 76 7.309 4.006 -1.901 1.00 1.04 C ATOM 1179 C GLU A 76 6.057 4.235 -1.046 1.00 0.97 C ATOM 1180 O GLU A 76 5.913 5.281 -0.407 1.00 1.03 O ATOM 1181 CB GLU A 76 8.598 4.075 -1.072 1.00 1.27 C ATOM 1182 CG GLU A 76 8.752 2.887 -0.125 1.00 1.99 C ATOM 1183 CD GLU A 76 10.063 3.027 0.641 1.00 2.51 C ATOM 1184 OE1 GLU A 76 11.120 2.686 0.072 1.00 2.99 O ATOM 1185 OE2 GLU A 76 10.009 3.620 1.744 1.00 3.71 O ATOM 0 H GLU A 76 7.398 5.949 -2.697 1.00 1.12 H new ATOM 0 HA GLU A 76 7.188 3.004 -2.313 1.00 1.04 H new ATOM 0 HB2 GLU A 76 9.456 4.113 -1.744 1.00 1.27 H new ATOM 0 HB3 GLU A 76 8.605 4.999 -0.494 1.00 1.27 H new ATOM 0 HG2 GLU A 76 7.913 2.848 0.570 1.00 1.99 H new ATOM 0 HG3 GLU A 76 8.743 1.954 -0.688 1.00 1.99 H new ATOM 1192 N LEU A 77 5.193 3.211 -0.987 1.00 0.89 N ATOM 1193 CA LEU A 77 4.070 3.091 -0.059 1.00 0.84 C ATOM 1194 C LEU A 77 4.599 2.728 1.336 1.00 0.90 C ATOM 1195 O LEU A 77 4.420 1.621 1.848 1.00 1.23 O ATOM 1196 CB LEU A 77 2.999 2.095 -0.568 1.00 0.84 C ATOM 1197 CG LEU A 77 2.060 2.616 -1.676 1.00 0.80 C ATOM 1198 CD1 LEU A 77 2.733 2.683 -3.055 1.00 0.81 C ATOM 1199 CD2 LEU A 77 0.822 1.709 -1.744 1.00 0.86 C ATOM 0 H LEU A 77 5.265 2.411 -1.615 1.00 0.89 H new ATOM 0 HA LEU A 77 3.562 4.053 0.007 1.00 0.84 H new ATOM 0 HB2 LEU A 77 3.507 1.205 -0.939 1.00 0.84 H new ATOM 0 HB3 LEU A 77 2.389 1.784 0.280 1.00 0.84 H new ATOM 0 HG LEU A 77 1.782 3.638 -1.417 1.00 0.80 H new ATOM 0 HD11 LEU A 77 2.020 3.057 -3.790 1.00 0.81 H new ATOM 0 HD12 LEU A 77 3.592 3.353 -3.009 1.00 0.81 H new ATOM 0 HD13 LEU A 77 3.066 1.687 -3.346 1.00 0.81 H new ATOM 0 HD21 LEU A 77 0.151 2.068 -2.524 1.00 0.86 H new ATOM 0 HD22 LEU A 77 1.131 0.689 -1.972 1.00 0.86 H new ATOM 0 HD23 LEU A 77 0.305 1.726 -0.784 1.00 0.86 H new ATOM 1211 N LYS A 78 5.290 3.690 1.941 1.00 0.93 N ATOM 1212 CA LYS A 78 5.789 3.655 3.312 1.00 0.95 C ATOM 1213 C LYS A 78 4.660 3.940 4.339 1.00 0.89 C ATOM 1214 O LYS A 78 3.784 4.758 4.053 1.00 0.88 O ATOM 1215 CB LYS A 78 6.959 4.662 3.396 1.00 1.02 C ATOM 1216 CG LYS A 78 6.535 6.127 3.157 1.00 0.99 C ATOM 1217 CD LYS A 78 7.687 7.141 3.123 1.00 1.26 C ATOM 1218 CE LYS A 78 8.519 7.073 1.832 1.00 1.81 C ATOM 1219 NZ LYS A 78 9.726 6.220 1.967 1.00 2.77 N ATOM 0 H LYS A 78 5.529 4.559 1.464 1.00 0.93 H new ATOM 0 HA LYS A 78 6.151 2.660 3.571 1.00 0.95 H new ATOM 0 HB2 LYS A 78 7.425 4.583 4.378 1.00 1.02 H new ATOM 0 HB3 LYS A 78 7.716 4.388 2.662 1.00 1.02 H new ATOM 0 HG2 LYS A 78 5.994 6.183 2.212 1.00 0.99 H new ATOM 0 HG3 LYS A 78 5.837 6.420 3.941 1.00 0.99 H new ATOM 0 HD2 LYS A 78 7.280 8.146 3.232 1.00 1.26 H new ATOM 0 HD3 LYS A 78 8.341 6.967 3.978 1.00 1.26 H new ATOM 0 HE2 LYS A 78 7.896 6.688 1.024 1.00 1.81 H new ATOM 0 HE3 LYS A 78 8.822 8.081 1.548 1.00 1.81 H new ATOM 0 HZ1 LYS A 78 10.457 6.544 1.302 1.00 2.77 H new ATOM 0 HZ2 LYS A 78 10.090 6.285 2.939 1.00 2.77 H new ATOM 0 HZ3 LYS A 78 9.479 5.232 1.755 1.00 2.77 H new ATOM 1233 N PRO A 79 4.696 3.384 5.569 1.00 0.89 N ATOM 1234 CA PRO A 79 3.698 3.681 6.606 1.00 0.82 C ATOM 1235 C PRO A 79 3.632 5.176 6.977 1.00 0.79 C ATOM 1236 O PRO A 79 2.546 5.687 7.235 1.00 0.79 O ATOM 1237 CB PRO A 79 4.068 2.790 7.800 1.00 0.92 C ATOM 1238 CG PRO A 79 5.541 2.445 7.580 1.00 1.01 C ATOM 1239 CD PRO A 79 5.671 2.420 6.058 1.00 0.99 C ATOM 0 HA PRO A 79 2.691 3.466 6.247 1.00 0.82 H new ATOM 0 HB2 PRO A 79 3.920 3.312 8.745 1.00 0.92 H new ATOM 0 HB3 PRO A 79 3.451 1.892 7.831 1.00 0.92 H new ATOM 0 HG2 PRO A 79 6.200 3.189 8.028 1.00 1.01 H new ATOM 0 HG3 PRO A 79 5.799 1.483 8.022 1.00 1.01 H new ATOM 0 HD2 PRO A 79 6.680 2.689 5.746 1.00 0.99 H new ATOM 0 HD3 PRO A 79 5.470 1.424 5.663 1.00 0.99 H new ATOM 1247 N GLY A 80 4.756 5.904 6.905 1.00 1.00 N ATOM 1248 CA GLY A 80 4.808 7.369 7.008 1.00 1.05 C ATOM 1249 C GLY A 80 4.582 8.075 5.666 1.00 0.89 C ATOM 1250 O GLY A 80 5.320 9.002 5.348 1.00 1.15 O ATOM 0 H GLY A 80 5.674 5.481 6.771 1.00 1.00 H new ATOM 0 HA2 GLY A 80 4.053 7.704 7.720 1.00 1.05 H new ATOM 0 HA3 GLY A 80 5.778 7.665 7.409 1.00 1.05 H new ATOM 1254 N GLY A 81 3.640 7.588 4.845 1.00 0.95 N ATOM 1255 CA GLY A 81 3.360 8.093 3.494 1.00 0.81 C ATOM 1256 C GLY A 81 2.056 7.589 2.875 1.00 0.73 C ATOM 1257 O GLY A 81 1.100 8.342 2.771 1.00 0.80 O ATOM 0 H GLY A 81 3.036 6.810 5.110 1.00 0.95 H new ATOM 0 HA2 GLY A 81 3.332 9.182 3.528 1.00 0.81 H new ATOM 0 HA3 GLY A 81 4.187 7.816 2.840 1.00 0.81 H new ATOM 1261 N TYR A 82 2.021 6.334 2.427 1.00 0.68 N ATOM 1262 CA TYR A 82 0.941 5.698 1.644 1.00 0.65 C ATOM 1263 C TYR A 82 0.948 4.191 1.898 1.00 0.68 C ATOM 1264 O TYR A 82 2.008 3.622 2.117 1.00 0.70 O ATOM 1265 CB TYR A 82 1.112 6.000 0.148 1.00 0.64 C ATOM 1266 CG TYR A 82 1.151 7.479 -0.173 1.00 0.61 C ATOM 1267 CD1 TYR A 82 -0.045 8.210 -0.292 1.00 1.80 C ATOM 1268 CD2 TYR A 82 2.395 8.133 -0.264 1.00 1.62 C ATOM 1269 CE1 TYR A 82 -0.003 9.607 -0.472 1.00 1.86 C ATOM 1270 CE2 TYR A 82 2.446 9.528 -0.427 1.00 1.59 C ATOM 1271 CZ TYR A 82 1.246 10.272 -0.526 1.00 0.65 C ATOM 1272 OH TYR A 82 1.297 11.626 -0.664 1.00 0.74 O ATOM 0 H TYR A 82 2.789 5.688 2.608 1.00 0.68 H new ATOM 0 HA TYR A 82 -0.020 6.105 1.959 1.00 0.65 H new ATOM 0 HB2 TYR A 82 2.033 5.536 -0.204 1.00 0.64 H new ATOM 0 HB3 TYR A 82 0.292 5.539 -0.403 1.00 0.64 H new ATOM 0 HD1 TYR A 82 -0.996 7.700 -0.245 1.00 1.80 H new ATOM 0 HD2 TYR A 82 3.310 7.562 -0.208 1.00 1.62 H new ATOM 0 HE1 TYR A 82 -0.920 10.169 -0.568 1.00 1.86 H new ATOM 0 HE2 TYR A 82 3.400 10.032 -0.477 1.00 1.59 H new ATOM 0 HH TYR A 82 2.232 11.918 -0.682 1.00 0.74 H new ATOM 1282 N HIS A 83 -0.193 3.510 1.888 1.00 0.70 N ATOM 1283 CA HIS A 83 -0.272 2.084 2.220 1.00 0.73 C ATOM 1284 C HIS A 83 -1.599 1.472 1.751 1.00 0.79 C ATOM 1285 O HIS A 83 -2.519 2.195 1.371 1.00 0.91 O ATOM 1286 CB HIS A 83 -0.040 1.887 3.732 1.00 0.76 C ATOM 1287 CG HIS A 83 -1.097 2.503 4.614 1.00 0.87 C ATOM 1288 ND1 HIS A 83 -1.174 3.815 5.042 1.00 1.04 N ATOM 1289 CD2 HIS A 83 -2.158 1.837 5.164 1.00 0.99 C ATOM 1290 CE1 HIS A 83 -2.257 3.927 5.830 1.00 1.19 C ATOM 1291 NE2 HIS A 83 -2.881 2.741 5.941 1.00 1.16 N ATOM 0 H HIS A 83 -1.092 3.928 1.650 1.00 0.70 H new ATOM 0 HA HIS A 83 0.515 1.552 1.686 1.00 0.73 H new ATOM 0 HB2 HIS A 83 0.013 0.819 3.942 1.00 0.76 H new ATOM 0 HB3 HIS A 83 0.928 2.312 3.996 1.00 0.76 H new ATOM 0 HD1 HIS A 83 -0.525 4.564 4.803 1.00 1.04 H new ATOM 0 HD2 HIS A 83 -2.394 0.793 5.021 1.00 0.99 H new ATOM 0 HE1 HIS A 83 -2.580 4.841 6.307 1.00 1.19 H new ATOM 1299 N PHE A 84 -1.709 0.143 1.813 1.00 0.75 N ATOM 1300 CA PHE A 84 -2.972 -0.552 1.590 1.00 0.79 C ATOM 1301 C PHE A 84 -3.541 -1.017 2.925 1.00 0.82 C ATOM 1302 O PHE A 84 -2.920 -1.826 3.620 1.00 0.94 O ATOM 1303 CB PHE A 84 -2.770 -1.742 0.650 1.00 0.84 C ATOM 1304 CG PHE A 84 -2.587 -1.370 -0.807 1.00 0.81 C ATOM 1305 CD1 PHE A 84 -3.643 -0.756 -1.505 1.00 1.80 C ATOM 1306 CD2 PHE A 84 -1.385 -1.670 -1.478 1.00 1.90 C ATOM 1307 CE1 PHE A 84 -3.525 -0.504 -2.879 1.00 1.83 C ATOM 1308 CE2 PHE A 84 -1.252 -1.372 -2.846 1.00 1.87 C ATOM 1309 CZ PHE A 84 -2.327 -0.802 -3.545 1.00 0.83 C ATOM 0 H PHE A 84 -0.926 -0.477 2.019 1.00 0.75 H new ATOM 0 HA PHE A 84 -3.678 0.134 1.121 1.00 0.79 H new ATOM 0 HB2 PHE A 84 -1.897 -2.305 0.980 1.00 0.84 H new ATOM 0 HB3 PHE A 84 -3.629 -2.407 0.737 1.00 0.84 H new ATOM 0 HD1 PHE A 84 -4.546 -0.478 -0.982 1.00 1.80 H new ATOM 0 HD2 PHE A 84 -0.567 -2.128 -0.942 1.00 1.90 H new ATOM 0 HE1 PHE A 84 -4.356 -0.081 -3.424 1.00 1.83 H new ATOM 0 HE2 PHE A 84 -0.324 -1.581 -3.358 1.00 1.87 H new ATOM 0 HZ PHE A 84 -2.232 -0.592 -4.600 1.00 0.83 H new ATOM 1319 N MET A 85 -4.741 -0.540 3.254 1.00 0.74 N ATOM 1320 CA MET A 85 -5.536 -1.034 4.377 1.00 0.69 C ATOM 1321 C MET A 85 -6.168 -2.365 3.999 1.00 0.65 C ATOM 1322 O MET A 85 -6.784 -2.470 2.941 1.00 0.81 O ATOM 1323 CB MET A 85 -6.614 -0.002 4.753 1.00 0.85 C ATOM 1324 CG MET A 85 -6.156 0.888 5.909 1.00 0.89 C ATOM 1325 SD MET A 85 -6.015 0.004 7.485 1.00 1.15 S ATOM 1326 CE MET A 85 -4.217 -0.008 7.654 1.00 0.73 C ATOM 0 H MET A 85 -5.196 0.214 2.738 1.00 0.74 H new ATOM 0 HA MET A 85 -4.893 -1.184 5.245 1.00 0.69 H new ATOM 0 HB2 MET A 85 -6.846 0.616 3.886 1.00 0.85 H new ATOM 0 HB3 MET A 85 -7.533 -0.518 5.031 1.00 0.85 H new ATOM 0 HG2 MET A 85 -5.190 1.327 5.659 1.00 0.89 H new ATOM 0 HG3 MET A 85 -6.860 1.712 6.025 1.00 0.89 H new ATOM 0 HE1 MET A 85 -3.917 -0.837 8.295 1.00 0.73 H new ATOM 0 HE2 MET A 85 -3.760 -0.126 6.671 1.00 0.73 H new ATOM 0 HE3 MET A 85 -3.887 0.931 8.097 1.00 0.73 H new ATOM 1336 N LEU A 86 -5.998 -3.365 4.860 1.00 0.51 N ATOM 1337 CA LEU A 86 -6.551 -4.710 4.721 1.00 0.49 C ATOM 1338 C LEU A 86 -7.669 -4.853 5.755 1.00 0.45 C ATOM 1339 O LEU A 86 -7.436 -4.606 6.940 1.00 0.62 O ATOM 1340 CB LEU A 86 -5.433 -5.749 4.946 1.00 0.54 C ATOM 1341 CG LEU A 86 -4.193 -5.605 4.037 1.00 0.71 C ATOM 1342 CD1 LEU A 86 -3.202 -6.731 4.362 1.00 1.84 C ATOM 1343 CD2 LEU A 86 -4.550 -5.628 2.546 1.00 1.19 C ATOM 0 H LEU A 86 -5.447 -3.255 5.711 1.00 0.51 H new ATOM 0 HA LEU A 86 -6.956 -4.877 3.723 1.00 0.49 H new ATOM 0 HB2 LEU A 86 -5.108 -5.687 5.985 1.00 0.54 H new ATOM 0 HB3 LEU A 86 -5.853 -6.744 4.802 1.00 0.54 H new ATOM 0 HG LEU A 86 -3.742 -4.633 4.236 1.00 0.71 H new ATOM 0 HD11 LEU A 86 -2.323 -6.637 3.725 1.00 1.84 H new ATOM 0 HD12 LEU A 86 -2.901 -6.661 5.407 1.00 1.84 H new ATOM 0 HD13 LEU A 86 -3.677 -7.696 4.185 1.00 1.84 H new ATOM 0 HD21 LEU A 86 -3.642 -5.523 1.953 1.00 1.19 H new ATOM 0 HD22 LEU A 86 -5.035 -6.573 2.303 1.00 1.19 H new ATOM 0 HD23 LEU A 86 -5.227 -4.804 2.321 1.00 1.19 H new ATOM 1355 N LEU A 87 -8.878 -5.213 5.319 1.00 0.61 N ATOM 1356 CA LEU A 87 -10.107 -5.042 6.099 1.00 0.64 C ATOM 1357 C LEU A 87 -11.030 -6.251 5.893 1.00 0.77 C ATOM 1358 O LEU A 87 -11.435 -6.554 4.768 1.00 1.01 O ATOM 1359 CB LEU A 87 -10.745 -3.703 5.651 1.00 0.93 C ATOM 1360 CG LEU A 87 -11.034 -2.729 6.805 1.00 0.90 C ATOM 1361 CD1 LEU A 87 -11.139 -1.288 6.287 1.00 1.93 C ATOM 1362 CD2 LEU A 87 -12.344 -3.111 7.511 1.00 2.69 C ATOM 0 H LEU A 87 -9.034 -5.636 4.404 1.00 0.61 H new ATOM 0 HA LEU A 87 -9.911 -4.997 7.170 1.00 0.64 H new ATOM 0 HB2 LEU A 87 -10.080 -3.217 4.937 1.00 0.93 H new ATOM 0 HB3 LEU A 87 -11.677 -3.914 5.126 1.00 0.93 H new ATOM 0 HG LEU A 87 -10.208 -2.793 7.513 1.00 0.90 H new ATOM 0 HD11 LEU A 87 -11.344 -0.616 7.120 1.00 1.93 H new ATOM 0 HD12 LEU A 87 -10.200 -1.002 5.813 1.00 1.93 H new ATOM 0 HD13 LEU A 87 -11.948 -1.221 5.559 1.00 1.93 H new ATOM 0 HD21 LEU A 87 -12.535 -2.413 8.326 1.00 2.69 H new ATOM 0 HD22 LEU A 87 -13.167 -3.071 6.797 1.00 2.69 H new ATOM 0 HD23 LEU A 87 -12.260 -4.121 7.911 1.00 2.69 H new ATOM 1374 N GLY A 88 -11.337 -6.984 6.967 1.00 0.80 N ATOM 1375 CA GLY A 88 -11.980 -8.302 6.860 1.00 0.93 C ATOM 1376 C GLY A 88 -10.937 -9.358 6.497 1.00 0.95 C ATOM 1377 O GLY A 88 -10.878 -9.783 5.342 1.00 1.37 O ATOM 0 H GLY A 88 -11.151 -6.688 7.925 1.00 0.80 H new ATOM 0 HA2 GLY A 88 -12.460 -8.561 7.804 1.00 0.93 H new ATOM 0 HA3 GLY A 88 -12.763 -8.275 6.102 1.00 0.93 H new ATOM 1381 N LEU A 89 -10.085 -9.750 7.453 1.00 0.93 N ATOM 1382 CA LEU A 89 -9.020 -10.738 7.230 1.00 0.98 C ATOM 1383 C LEU A 89 -9.549 -12.174 7.089 1.00 1.08 C ATOM 1384 O LEU A 89 -9.589 -12.948 8.043 1.00 1.00 O ATOM 1385 CB LEU A 89 -7.958 -10.660 8.339 1.00 1.12 C ATOM 1386 CG LEU A 89 -7.002 -9.450 8.341 1.00 0.67 C ATOM 1387 CD1 LEU A 89 -5.740 -9.899 9.085 1.00 0.87 C ATOM 1388 CD2 LEU A 89 -6.606 -8.931 6.949 1.00 0.82 C ATOM 0 H LEU A 89 -10.115 -9.390 8.407 1.00 0.93 H new ATOM 0 HA LEU A 89 -8.559 -10.480 6.277 1.00 0.98 H new ATOM 0 HB2 LEU A 89 -8.475 -10.679 9.298 1.00 1.12 H new ATOM 0 HB3 LEU A 89 -7.352 -11.564 8.285 1.00 1.12 H new ATOM 0 HG LEU A 89 -7.521 -8.617 8.815 1.00 0.67 H new ATOM 0 HD11 LEU A 89 -5.025 -9.077 9.117 1.00 0.87 H new ATOM 0 HD12 LEU A 89 -6.002 -10.192 10.102 1.00 0.87 H new ATOM 0 HD13 LEU A 89 -5.295 -10.748 8.566 1.00 0.87 H new ATOM 0 HD21 LEU A 89 -5.933 -8.080 7.056 1.00 0.82 H new ATOM 0 HD22 LEU A 89 -6.104 -9.724 6.394 1.00 0.82 H new ATOM 0 HD23 LEU A 89 -7.500 -8.620 6.409 1.00 0.82 H new ATOM 1400 N LYS A 90 -9.854 -12.566 5.851 1.00 1.51 N ATOM 1401 CA LYS A 90 -10.221 -13.946 5.498 1.00 1.50 C ATOM 1402 C LYS A 90 -9.062 -14.963 5.651 1.00 1.34 C ATOM 1403 O LYS A 90 -9.295 -16.170 5.632 1.00 1.35 O ATOM 1404 CB LYS A 90 -10.904 -13.965 4.125 1.00 2.01 C ATOM 1405 CG LYS A 90 -9.943 -13.917 2.930 1.00 0.85 C ATOM 1406 CD LYS A 90 -10.744 -13.951 1.625 1.00 1.24 C ATOM 1407 CE LYS A 90 -11.105 -12.537 1.159 1.00 1.28 C ATOM 1408 NZ LYS A 90 -12.125 -12.560 0.090 1.00 1.44 N ATOM 0 H LYS A 90 -9.854 -11.930 5.053 1.00 1.51 H new ATOM 0 HA LYS A 90 -10.947 -14.300 6.230 1.00 1.50 H new ATOM 0 HB2 LYS A 90 -11.512 -14.867 4.049 1.00 2.01 H new ATOM 0 HB3 LYS A 90 -11.584 -13.116 4.061 1.00 2.01 H new ATOM 0 HG2 LYS A 90 -9.338 -13.012 2.973 1.00 0.85 H new ATOM 0 HG3 LYS A 90 -9.256 -14.762 2.969 1.00 0.85 H new ATOM 0 HD2 LYS A 90 -10.163 -14.454 0.852 1.00 1.24 H new ATOM 0 HD3 LYS A 90 -11.654 -14.533 1.769 1.00 1.24 H new ATOM 0 HE2 LYS A 90 -11.477 -11.958 2.005 1.00 1.28 H new ATOM 0 HE3 LYS A 90 -10.209 -12.033 0.797 1.00 1.28 H new ATOM 0 HZ1 LYS A 90 -12.138 -11.641 -0.397 1.00 1.44 H new ATOM 0 HZ2 LYS A 90 -11.895 -13.310 -0.593 1.00 1.44 H new ATOM 0 HZ3 LYS A 90 -13.060 -12.745 0.506 1.00 1.44 H new ATOM 1422 N ARG A 91 -7.827 -14.480 5.848 1.00 1.39 N ATOM 1423 CA ARG A 91 -6.714 -15.192 6.490 1.00 1.44 C ATOM 1424 C ARG A 91 -5.984 -14.206 7.421 1.00 1.42 C ATOM 1425 O ARG A 91 -5.731 -13.088 6.976 1.00 1.44 O ATOM 1426 CB ARG A 91 -5.697 -15.714 5.458 1.00 1.73 C ATOM 1427 CG ARG A 91 -6.282 -16.687 4.425 1.00 2.32 C ATOM 1428 CD ARG A 91 -5.214 -17.207 3.453 1.00 2.39 C ATOM 1429 NE ARG A 91 -4.336 -18.236 4.055 1.00 2.39 N ATOM 1430 CZ ARG A 91 -3.075 -18.084 4.452 1.00 3.10 C ATOM 1431 NH1 ARG A 91 -2.469 -16.920 4.484 1.00 3.94 N ATOM 1432 NH2 ARG A 91 -2.345 -19.109 4.829 1.00 4.01 N ATOM 0 H ARG A 91 -7.566 -13.540 5.551 1.00 1.39 H new ATOM 0 HA ARG A 91 -7.122 -16.043 7.035 1.00 1.44 H new ATOM 0 HB2 ARG A 91 -5.263 -14.864 4.932 1.00 1.73 H new ATOM 0 HB3 ARG A 91 -4.884 -16.211 5.987 1.00 1.73 H new ATOM 0 HG2 ARG A 91 -6.743 -17.529 4.941 1.00 2.32 H new ATOM 0 HG3 ARG A 91 -7.071 -16.187 3.863 1.00 2.32 H new ATOM 0 HD2 ARG A 91 -5.704 -17.625 2.573 1.00 2.39 H new ATOM 0 HD3 ARG A 91 -4.604 -16.371 3.111 1.00 2.39 H new ATOM 0 HE ARG A 91 -4.742 -19.163 4.179 1.00 2.39 H new ATOM 0 HH11 ARG A 91 -2.967 -16.078 4.196 1.00 3.94 H new ATOM 0 HH12 ARG A 91 -1.500 -16.858 4.797 1.00 3.94 H new ATOM 0 HH21 ARG A 91 -2.742 -20.048 4.822 1.00 4.01 H new ATOM 0 HH22 ARG A 91 -1.381 -18.966 5.129 1.00 4.01 H new ATOM 1446 N PRO A 92 -5.608 -14.582 8.661 1.00 1.49 N ATOM 1447 CA PRO A 92 -4.752 -13.759 9.515 1.00 1.60 C ATOM 1448 C PRO A 92 -3.319 -13.740 8.970 1.00 1.61 C ATOM 1449 O PRO A 92 -2.874 -14.711 8.354 1.00 1.76 O ATOM 1450 CB PRO A 92 -4.830 -14.395 10.906 1.00 1.75 C ATOM 1451 CG PRO A 92 -5.068 -15.874 10.594 1.00 1.71 C ATOM 1452 CD PRO A 92 -5.923 -15.840 9.326 1.00 1.58 C ATOM 0 HA PRO A 92 -5.074 -12.718 9.548 1.00 1.60 H new ATOM 0 HB2 PRO A 92 -3.910 -14.244 11.471 1.00 1.75 H new ATOM 0 HB3 PRO A 92 -5.641 -13.972 11.499 1.00 1.75 H new ATOM 0 HG2 PRO A 92 -4.130 -16.406 10.431 1.00 1.71 H new ATOM 0 HG3 PRO A 92 -5.583 -16.379 11.412 1.00 1.71 H new ATOM 0 HD2 PRO A 92 -5.698 -16.689 8.681 1.00 1.58 H new ATOM 0 HD3 PRO A 92 -6.984 -15.897 9.569 1.00 1.58 H new ATOM 1460 N LEU A 93 -2.587 -12.640 9.191 1.00 1.64 N ATOM 1461 CA LEU A 93 -1.238 -12.456 8.641 1.00 1.71 C ATOM 1462 C LEU A 93 -0.163 -12.887 9.648 1.00 1.90 C ATOM 1463 O LEU A 93 0.255 -12.098 10.496 1.00 2.36 O ATOM 1464 CB LEU A 93 -1.029 -10.991 8.188 1.00 1.77 C ATOM 1465 CG LEU A 93 -1.580 -10.570 6.811 1.00 1.67 C ATOM 1466 CD1 LEU A 93 -1.060 -11.461 5.681 1.00 1.76 C ATOM 1467 CD2 LEU A 93 -3.103 -10.471 6.759 1.00 2.19 C ATOM 0 H LEU A 93 -2.913 -11.855 9.755 1.00 1.64 H new ATOM 0 HA LEU A 93 -1.139 -13.097 7.765 1.00 1.71 H new ATOM 0 HB2 LEU A 93 -1.479 -10.342 8.940 1.00 1.77 H new ATOM 0 HB3 LEU A 93 0.042 -10.790 8.194 1.00 1.77 H new ATOM 0 HG LEU A 93 -1.197 -9.561 6.657 1.00 1.67 H new ATOM 0 HD11 LEU A 93 -1.476 -11.125 4.731 1.00 1.76 H new ATOM 0 HD12 LEU A 93 0.028 -11.401 5.642 1.00 1.76 H new ATOM 0 HD13 LEU A 93 -1.360 -12.493 5.864 1.00 1.76 H new ATOM 0 HD21 LEU A 93 -3.414 -10.170 5.759 1.00 2.19 H new ATOM 0 HD22 LEU A 93 -3.539 -11.441 6.998 1.00 2.19 H new ATOM 0 HD23 LEU A 93 -3.444 -9.731 7.483 1.00 2.19 H new ATOM 1479 N LYS A 94 0.336 -14.116 9.512 1.00 1.79 N ATOM 1480 CA LYS A 94 1.512 -14.630 10.230 1.00 1.92 C ATOM 1481 C LYS A 94 2.821 -14.103 9.596 1.00 1.80 C ATOM 1482 O LYS A 94 3.016 -14.226 8.388 1.00 2.05 O ATOM 1483 CB LYS A 94 1.407 -16.173 10.249 1.00 2.14 C ATOM 1484 CG LYS A 94 2.621 -16.933 10.829 1.00 2.39 C ATOM 1485 CD LYS A 94 3.542 -17.565 9.770 1.00 2.56 C ATOM 1486 CE LYS A 94 2.865 -18.720 9.019 1.00 2.86 C ATOM 1487 NZ LYS A 94 3.692 -19.230 7.897 1.00 3.58 N ATOM 0 H LYS A 94 -0.076 -14.804 8.882 1.00 1.79 H new ATOM 0 HA LYS A 94 1.537 -14.273 11.259 1.00 1.92 H new ATOM 0 HB2 LYS A 94 0.523 -16.449 10.824 1.00 2.14 H new ATOM 0 HB3 LYS A 94 1.243 -16.518 9.228 1.00 2.14 H new ATOM 0 HG2 LYS A 94 3.207 -16.245 11.438 1.00 2.39 H new ATOM 0 HG3 LYS A 94 2.259 -17.718 11.493 1.00 2.39 H new ATOM 0 HD2 LYS A 94 3.848 -16.801 9.056 1.00 2.56 H new ATOM 0 HD3 LYS A 94 4.448 -17.931 10.253 1.00 2.56 H new ATOM 0 HE2 LYS A 94 2.663 -19.533 9.716 1.00 2.86 H new ATOM 0 HE3 LYS A 94 1.903 -18.384 8.633 1.00 2.86 H new ATOM 0 HZ1 LYS A 94 3.091 -19.376 7.061 1.00 3.58 H new ATOM 0 HZ2 LYS A 94 4.436 -18.539 7.672 1.00 3.58 H new ATOM 0 HZ3 LYS A 94 4.130 -20.133 8.171 1.00 3.58 H new ATOM 1501 N ALA A 95 3.738 -13.540 10.395 1.00 1.76 N ATOM 1502 CA ALA A 95 5.082 -13.172 9.925 1.00 1.68 C ATOM 1503 C ALA A 95 5.796 -14.427 9.393 1.00 1.61 C ATOM 1504 O ALA A 95 5.752 -15.467 10.050 1.00 1.83 O ATOM 1505 CB ALA A 95 5.862 -12.518 11.074 1.00 1.92 C ATOM 0 H ALA A 95 3.571 -13.328 11.379 1.00 1.76 H new ATOM 0 HA ALA A 95 5.016 -12.451 9.110 1.00 1.68 H new ATOM 0 HB1 ALA A 95 6.859 -12.244 10.728 1.00 1.92 H new ATOM 0 HB2 ALA A 95 5.336 -11.624 11.408 1.00 1.92 H new ATOM 0 HB3 ALA A 95 5.946 -13.221 11.903 1.00 1.92 H new ATOM 1511 N GLY A 96 6.385 -14.365 8.196 1.00 1.45 N ATOM 1512 CA GLY A 96 6.840 -15.564 7.479 1.00 1.57 C ATOM 1513 C GLY A 96 5.696 -16.313 6.780 1.00 1.78 C ATOM 1514 O GLY A 96 5.674 -17.542 6.783 1.00 2.45 O ATOM 0 H GLY A 96 6.560 -13.492 7.698 1.00 1.45 H new ATOM 0 HA2 GLY A 96 7.586 -15.277 6.738 1.00 1.57 H new ATOM 0 HA3 GLY A 96 7.332 -16.237 8.182 1.00 1.57 H new ATOM 1518 N GLU A 97 4.731 -15.581 6.224 1.00 1.50 N ATOM 1519 CA GLU A 97 3.917 -15.988 5.070 1.00 1.51 C ATOM 1520 C GLU A 97 4.388 -15.148 3.869 1.00 1.19 C ATOM 1521 O GLU A 97 5.229 -14.256 4.018 1.00 1.04 O ATOM 1522 CB GLU A 97 2.425 -15.684 5.323 1.00 1.77 C ATOM 1523 CG GLU A 97 1.734 -16.500 6.408 1.00 1.93 C ATOM 1524 CD GLU A 97 1.112 -17.799 5.906 1.00 1.67 C ATOM 1525 OE1 GLU A 97 0.000 -17.731 5.339 1.00 2.36 O ATOM 1526 OE2 GLU A 97 1.692 -18.870 6.182 1.00 2.57 O ATOM 0 H GLU A 97 4.483 -14.656 6.574 1.00 1.50 H new ATOM 0 HA GLU A 97 4.029 -17.058 4.893 1.00 1.51 H new ATOM 0 HB2 GLU A 97 2.332 -14.629 5.580 1.00 1.77 H new ATOM 0 HB3 GLU A 97 1.884 -15.834 4.389 1.00 1.77 H new ATOM 0 HG2 GLU A 97 2.458 -16.734 7.189 1.00 1.93 H new ATOM 0 HG3 GLU A 97 0.956 -15.890 6.867 1.00 1.93 H new ATOM 1533 N GLU A 98 3.773 -15.341 2.708 1.00 1.30 N ATOM 1534 CA GLU A 98 3.903 -14.454 1.547 1.00 1.15 C ATOM 1535 C GLU A 98 2.502 -14.039 1.075 1.00 1.00 C ATOM 1536 O GLU A 98 1.537 -14.782 1.250 1.00 1.25 O ATOM 1537 CB GLU A 98 4.700 -15.138 0.424 1.00 1.38 C ATOM 1538 CG GLU A 98 6.174 -15.316 0.821 1.00 2.13 C ATOM 1539 CD GLU A 98 6.998 -15.980 -0.278 1.00 2.62 C ATOM 1540 OE1 GLU A 98 7.043 -15.400 -1.384 1.00 3.11 O ATOM 1541 OE2 GLU A 98 7.600 -17.040 0.015 1.00 3.72 O ATOM 0 H GLU A 98 3.155 -16.135 2.539 1.00 1.30 H new ATOM 0 HA GLU A 98 4.457 -13.559 1.830 1.00 1.15 H new ATOM 0 HB2 GLU A 98 4.260 -16.110 0.202 1.00 1.38 H new ATOM 0 HB3 GLU A 98 4.635 -14.543 -0.487 1.00 1.38 H new ATOM 0 HG2 GLU A 98 6.604 -14.342 1.055 1.00 2.13 H new ATOM 0 HG3 GLU A 98 6.233 -15.917 1.728 1.00 2.13 H new ATOM 1548 N VAL A 99 2.380 -12.838 0.505 1.00 0.80 N ATOM 1549 CA VAL A 99 1.126 -12.279 -0.021 1.00 0.72 C ATOM 1550 C VAL A 99 1.294 -11.939 -1.488 1.00 0.68 C ATOM 1551 O VAL A 99 2.058 -11.040 -1.835 1.00 0.75 O ATOM 1552 CB VAL A 99 0.701 -11.008 0.745 1.00 0.77 C ATOM 1553 CG1 VAL A 99 -0.381 -10.175 0.010 1.00 0.81 C ATOM 1554 CG2 VAL A 99 0.154 -11.427 2.117 1.00 0.98 C ATOM 0 H VAL A 99 3.173 -12.206 0.392 1.00 0.80 H new ATOM 0 HA VAL A 99 0.349 -13.032 0.108 1.00 0.72 H new ATOM 0 HB VAL A 99 1.584 -10.374 0.832 1.00 0.77 H new ATOM 0 HG11 VAL A 99 -0.631 -9.297 0.606 1.00 0.81 H new ATOM 0 HG12 VAL A 99 0.001 -9.858 -0.961 1.00 0.81 H new ATOM 0 HG13 VAL A 99 -1.274 -10.783 -0.132 1.00 0.81 H new ATOM 0 HG21 VAL A 99 -0.152 -10.541 2.673 1.00 0.98 H new ATOM 0 HG22 VAL A 99 -0.705 -12.084 1.981 1.00 0.98 H new ATOM 0 HG23 VAL A 99 0.930 -11.954 2.672 1.00 0.98 H new ATOM 1564 N GLU A 100 0.494 -12.596 -2.324 1.00 0.68 N ATOM 1565 CA GLU A 100 0.236 -12.108 -3.674 1.00 0.71 C ATOM 1566 C GLU A 100 -0.850 -11.015 -3.679 1.00 0.69 C ATOM 1567 O GLU A 100 -1.790 -11.008 -2.871 1.00 0.82 O ATOM 1568 CB GLU A 100 -0.072 -13.250 -4.646 1.00 0.99 C ATOM 1569 CG GLU A 100 1.129 -14.199 -4.816 1.00 1.46 C ATOM 1570 CD GLU A 100 1.042 -14.932 -6.150 1.00 2.23 C ATOM 1571 OE1 GLU A 100 -0.041 -15.480 -6.472 1.00 2.38 O ATOM 1572 OE2 GLU A 100 1.999 -14.843 -6.953 1.00 3.66 O ATOM 0 H GLU A 100 0.015 -13.466 -2.090 1.00 0.68 H new ATOM 0 HA GLU A 100 1.152 -11.641 -4.035 1.00 0.71 H new ATOM 0 HB2 GLU A 100 -0.932 -13.814 -4.283 1.00 0.99 H new ATOM 0 HB3 GLU A 100 -0.348 -12.837 -5.616 1.00 0.99 H new ATOM 0 HG2 GLU A 100 2.059 -13.632 -4.765 1.00 1.46 H new ATOM 0 HG3 GLU A 100 1.150 -14.920 -3.998 1.00 1.46 H new ATOM 1579 N LEU A 101 -0.687 -10.067 -4.605 1.00 0.74 N ATOM 1580 CA LEU A 101 -1.443 -8.818 -4.663 1.00 0.71 C ATOM 1581 C LEU A 101 -1.552 -8.311 -6.106 1.00 0.76 C ATOM 1582 O LEU A 101 -0.542 -8.080 -6.768 1.00 0.83 O ATOM 1583 CB LEU A 101 -0.763 -7.784 -3.737 1.00 0.74 C ATOM 1584 CG LEU A 101 -1.543 -7.458 -2.458 1.00 1.04 C ATOM 1585 CD1 LEU A 101 -0.613 -6.832 -1.427 1.00 1.43 C ATOM 1586 CD2 LEU A 101 -2.654 -6.428 -2.714 1.00 1.44 C ATOM 0 H LEU A 101 -0.004 -10.152 -5.357 1.00 0.74 H new ATOM 0 HA LEU A 101 -2.463 -8.985 -4.315 1.00 0.71 H new ATOM 0 HB2 LEU A 101 0.223 -8.158 -3.460 1.00 0.74 H new ATOM 0 HB3 LEU A 101 -0.608 -6.862 -4.297 1.00 0.74 H new ATOM 0 HG LEU A 101 -1.971 -8.397 -2.108 1.00 1.04 H new ATOM 0 HD11 LEU A 101 -1.175 -6.603 -0.521 1.00 1.43 H new ATOM 0 HD12 LEU A 101 0.190 -7.530 -1.190 1.00 1.43 H new ATOM 0 HD13 LEU A 101 -0.187 -5.914 -1.831 1.00 1.43 H new ATOM 0 HD21 LEU A 101 -3.183 -6.224 -1.783 1.00 1.44 H new ATOM 0 HD22 LEU A 101 -2.214 -5.505 -3.091 1.00 1.44 H new ATOM 0 HD23 LEU A 101 -3.354 -6.823 -3.450 1.00 1.44 H new ATOM 1598 N ASP A 102 -2.781 -8.112 -6.573 1.00 0.78 N ATOM 1599 CA ASP A 102 -3.167 -7.601 -7.888 1.00 0.84 C ATOM 1600 C ASP A 102 -3.277 -6.075 -7.846 1.00 0.81 C ATOM 1601 O ASP A 102 -4.330 -5.537 -7.510 1.00 0.94 O ATOM 1602 CB ASP A 102 -4.519 -8.222 -8.266 1.00 0.93 C ATOM 1603 CG ASP A 102 -4.392 -9.663 -8.746 1.00 1.16 C ATOM 1604 OD1 ASP A 102 -3.999 -9.830 -9.922 1.00 1.84 O ATOM 1605 OD2 ASP A 102 -4.697 -10.570 -7.936 1.00 2.26 O ATOM 0 H ASP A 102 -3.598 -8.320 -5.998 1.00 0.78 H new ATOM 0 HA ASP A 102 -2.415 -7.867 -8.631 1.00 0.84 H new ATOM 0 HB2 ASP A 102 -5.183 -8.188 -7.403 1.00 0.93 H new ATOM 0 HB3 ASP A 102 -4.983 -7.622 -9.049 1.00 0.93 H new ATOM 1610 N LEU A 103 -2.190 -5.367 -8.157 1.00 0.73 N ATOM 1611 CA LEU A 103 -2.142 -3.899 -8.132 1.00 0.66 C ATOM 1612 C LEU A 103 -2.914 -3.320 -9.328 1.00 0.61 C ATOM 1613 O LEU A 103 -2.516 -3.525 -10.472 1.00 0.60 O ATOM 1614 CB LEU A 103 -0.674 -3.427 -8.132 1.00 0.70 C ATOM 1615 CG LEU A 103 0.229 -4.039 -7.042 1.00 0.93 C ATOM 1616 CD1 LEU A 103 1.610 -3.372 -7.116 1.00 1.09 C ATOM 1617 CD2 LEU A 103 -0.346 -3.891 -5.628 1.00 1.41 C ATOM 0 H LEU A 103 -1.309 -5.798 -8.436 1.00 0.73 H new ATOM 0 HA LEU A 103 -2.619 -3.537 -7.222 1.00 0.66 H new ATOM 0 HB2 LEU A 103 -0.240 -3.653 -9.106 1.00 0.70 H new ATOM 0 HB3 LEU A 103 -0.661 -2.343 -8.021 1.00 0.70 H new ATOM 0 HG LEU A 103 0.299 -5.110 -7.235 1.00 0.93 H new ATOM 0 HD11 LEU A 103 2.260 -3.795 -6.350 1.00 1.09 H new ATOM 0 HD12 LEU A 103 2.046 -3.547 -8.099 1.00 1.09 H new ATOM 0 HD13 LEU A 103 1.505 -2.300 -6.951 1.00 1.09 H new ATOM 0 HD21 LEU A 103 0.337 -4.342 -4.908 1.00 1.41 H new ATOM 0 HD22 LEU A 103 -0.472 -2.834 -5.395 1.00 1.41 H new ATOM 0 HD23 LEU A 103 -1.313 -4.392 -5.574 1.00 1.41 H new ATOM 1629 N LEU A 104 -4.002 -2.587 -9.061 1.00 0.64 N ATOM 1630 CA LEU A 104 -4.934 -2.070 -10.073 1.00 0.64 C ATOM 1631 C LEU A 104 -4.474 -0.702 -10.586 1.00 0.62 C ATOM 1632 O LEU A 104 -4.353 0.250 -9.803 1.00 0.59 O ATOM 1633 CB LEU A 104 -6.361 -1.928 -9.497 1.00 0.68 C ATOM 1634 CG LEU A 104 -6.956 -3.134 -8.756 1.00 0.76 C ATOM 1635 CD1 LEU A 104 -8.374 -2.798 -8.271 1.00 0.82 C ATOM 1636 CD2 LEU A 104 -6.980 -4.410 -9.603 1.00 0.84 C ATOM 0 H LEU A 104 -4.266 -2.330 -8.110 1.00 0.64 H new ATOM 0 HA LEU A 104 -4.947 -2.786 -10.895 1.00 0.64 H new ATOM 0 HB2 LEU A 104 -6.363 -1.080 -8.813 1.00 0.68 H new ATOM 0 HB3 LEU A 104 -7.031 -1.676 -10.319 1.00 0.68 H new ATOM 0 HG LEU A 104 -6.305 -3.336 -7.906 1.00 0.76 H new ATOM 0 HD11 LEU A 104 -8.792 -3.657 -7.746 1.00 0.82 H new ATOM 0 HD12 LEU A 104 -8.335 -1.944 -7.595 1.00 0.82 H new ATOM 0 HD13 LEU A 104 -9.003 -2.555 -9.127 1.00 0.82 H new ATOM 0 HD21 LEU A 104 -7.412 -5.225 -9.022 1.00 0.84 H new ATOM 0 HD22 LEU A 104 -7.582 -4.243 -10.496 1.00 0.84 H new ATOM 0 HD23 LEU A 104 -5.963 -4.672 -9.895 1.00 0.84 H new ATOM 1648 N PHE A 105 -4.306 -0.560 -11.903 1.00 0.66 N ATOM 1649 CA PHE A 105 -3.841 0.680 -12.517 1.00 0.68 C ATOM 1650 C PHE A 105 -4.789 1.202 -13.601 1.00 0.83 C ATOM 1651 O PHE A 105 -5.055 0.522 -14.592 1.00 1.22 O ATOM 1652 CB PHE A 105 -2.472 0.468 -13.150 1.00 0.71 C ATOM 1653 CG PHE A 105 -1.351 0.145 -12.190 1.00 0.64 C ATOM 1654 CD1 PHE A 105 -0.649 1.187 -11.559 1.00 1.77 C ATOM 1655 CD2 PHE A 105 -0.967 -1.188 -11.979 1.00 2.19 C ATOM 1656 CE1 PHE A 105 0.482 0.898 -10.779 1.00 1.78 C ATOM 1657 CE2 PHE A 105 0.164 -1.476 -11.200 1.00 2.19 C ATOM 1658 CZ PHE A 105 0.903 -0.434 -10.623 1.00 0.68 C ATOM 0 H PHE A 105 -4.490 -1.306 -12.573 1.00 0.66 H new ATOM 0 HA PHE A 105 -3.797 1.418 -11.716 1.00 0.68 H new ATOM 0 HB2 PHE A 105 -2.549 -0.341 -13.876 1.00 0.71 H new ATOM 0 HB3 PHE A 105 -2.204 1.368 -13.703 1.00 0.71 H new ATOM 0 HD1 PHE A 105 -0.979 2.209 -11.674 1.00 1.77 H new ATOM 0 HD2 PHE A 105 -1.541 -1.992 -12.416 1.00 2.19 H new ATOM 0 HE1 PHE A 105 1.027 1.698 -10.300 1.00 1.78 H new ATOM 0 HE2 PHE A 105 0.465 -2.501 -11.045 1.00 2.19 H new ATOM 0 HZ PHE A 105 1.797 -0.655 -10.058 1.00 0.68 H new ATOM 1668 N ALA A 106 -5.234 2.450 -13.429 1.00 0.67 N ATOM 1669 CA ALA A 106 -6.091 3.218 -14.350 1.00 0.79 C ATOM 1670 C ALA A 106 -7.346 2.455 -14.838 1.00 1.31 C ATOM 1671 O ALA A 106 -7.848 2.709 -15.934 1.00 2.15 O ATOM 1672 CB ALA A 106 -5.214 3.730 -15.507 1.00 1.98 C ATOM 0 H ALA A 106 -4.994 2.987 -12.596 1.00 0.67 H new ATOM 0 HA ALA A 106 -6.512 4.061 -13.803 1.00 0.79 H new ATOM 0 HB1 ALA A 106 -5.827 4.302 -16.203 1.00 1.98 H new ATOM 0 HB2 ALA A 106 -4.424 4.368 -15.110 1.00 1.98 H new ATOM 0 HB3 ALA A 106 -4.768 2.883 -16.028 1.00 1.98 H new ATOM 1678 N GLY A 107 -7.783 1.436 -14.083 1.00 2.03 N ATOM 1679 CA GLY A 107 -8.715 0.393 -14.528 1.00 3.05 C ATOM 1680 C GLY A 107 -8.064 -0.602 -15.499 1.00 2.49 C ATOM 1681 O GLY A 107 -8.072 -1.803 -15.254 1.00 3.54 O ATOM 0 H GLY A 107 -7.487 1.313 -13.115 1.00 2.03 H new ATOM 0 HA2 GLY A 107 -9.093 -0.146 -13.660 1.00 3.05 H new ATOM 0 HA3 GLY A 107 -9.573 0.859 -15.012 1.00 3.05 H new ATOM 1685 N GLY A 108 -7.503 -0.102 -16.607 1.00 1.31 N ATOM 1686 CA GLY A 108 -7.106 -0.892 -17.782 1.00 1.27 C ATOM 1687 C GLY A 108 -5.769 -1.644 -17.712 1.00 1.17 C ATOM 1688 O GLY A 108 -5.330 -2.136 -18.752 1.00 1.67 O ATOM 0 H GLY A 108 -7.306 0.893 -16.715 1.00 1.31 H new ATOM 0 HA2 GLY A 108 -7.892 -1.621 -17.978 1.00 1.27 H new ATOM 0 HA3 GLY A 108 -7.071 -0.222 -18.641 1.00 1.27 H new ATOM 1692 N LYS A 109 -5.095 -1.716 -16.559 1.00 0.86 N ATOM 1693 CA LYS A 109 -3.960 -2.602 -16.252 1.00 0.89 C ATOM 1694 C LYS A 109 -4.104 -3.195 -14.835 1.00 0.84 C ATOM 1695 O LYS A 109 -4.617 -2.524 -13.945 1.00 0.86 O ATOM 1696 CB LYS A 109 -2.640 -1.799 -16.319 1.00 1.04 C ATOM 1697 CG LYS A 109 -1.641 -2.221 -17.408 1.00 1.54 C ATOM 1698 CD LYS A 109 -2.128 -2.108 -18.859 1.00 2.42 C ATOM 1699 CE LYS A 109 -2.532 -0.670 -19.215 1.00 3.11 C ATOM 1700 NZ LYS A 109 -3.512 -0.639 -20.328 1.00 4.16 N ATOM 0 H LYS A 109 -5.340 -1.123 -15.766 1.00 0.86 H new ATOM 0 HA LYS A 109 -3.948 -3.410 -16.983 1.00 0.89 H new ATOM 0 HB2 LYS A 109 -2.886 -0.748 -16.469 1.00 1.04 H new ATOM 0 HB3 LYS A 109 -2.144 -1.875 -15.351 1.00 1.04 H new ATOM 0 HG2 LYS A 109 -0.742 -1.614 -17.301 1.00 1.54 H new ATOM 0 HG3 LYS A 109 -1.351 -3.256 -17.224 1.00 1.54 H new ATOM 0 HD2 LYS A 109 -1.340 -2.442 -19.534 1.00 2.42 H new ATOM 0 HD3 LYS A 109 -2.979 -2.772 -19.010 1.00 2.42 H new ATOM 0 HE2 LYS A 109 -2.960 -0.184 -18.338 1.00 3.11 H new ATOM 0 HE3 LYS A 109 -1.645 -0.101 -19.494 1.00 3.11 H new ATOM 0 HZ1 LYS A 109 -3.750 0.348 -20.554 1.00 4.16 H new ATOM 0 HZ2 LYS A 109 -3.100 -1.096 -21.166 1.00 4.16 H new ATOM 0 HZ3 LYS A 109 -4.374 -1.147 -20.045 1.00 4.16 H new ATOM 1714 N VAL A 110 -3.541 -4.383 -14.601 1.00 0.87 N ATOM 1715 CA VAL A 110 -3.396 -4.996 -13.278 1.00 0.82 C ATOM 1716 C VAL A 110 -2.158 -5.901 -13.229 1.00 0.93 C ATOM 1717 O VAL A 110 -1.936 -6.673 -14.161 1.00 1.16 O ATOM 1718 CB VAL A 110 -4.681 -5.743 -12.866 1.00 0.79 C ATOM 1719 CG1 VAL A 110 -5.170 -6.766 -13.907 1.00 0.93 C ATOM 1720 CG2 VAL A 110 -4.532 -6.422 -11.499 1.00 0.78 C ATOM 0 H VAL A 110 -3.162 -4.963 -15.350 1.00 0.87 H new ATOM 0 HA VAL A 110 -3.244 -4.202 -12.547 1.00 0.82 H new ATOM 0 HB VAL A 110 -5.444 -4.967 -12.801 1.00 0.79 H new ATOM 0 HG11 VAL A 110 -6.077 -7.249 -13.544 1.00 0.93 H new ATOM 0 HG12 VAL A 110 -5.381 -6.256 -14.847 1.00 0.93 H new ATOM 0 HG13 VAL A 110 -4.398 -7.518 -14.068 1.00 0.93 H new ATOM 0 HG21 VAL A 110 -5.459 -6.937 -11.246 1.00 0.78 H new ATOM 0 HG22 VAL A 110 -3.715 -7.143 -11.538 1.00 0.78 H new ATOM 0 HG23 VAL A 110 -4.316 -5.669 -10.741 1.00 0.78 H new ATOM 1730 N LEU A 111 -1.332 -5.747 -12.188 1.00 0.84 N ATOM 1731 CA LEU A 111 -0.082 -6.482 -11.988 1.00 0.94 C ATOM 1732 C LEU A 111 -0.145 -7.307 -10.696 1.00 1.04 C ATOM 1733 O LEU A 111 -0.097 -6.768 -9.591 1.00 1.13 O ATOM 1734 CB LEU A 111 1.080 -5.482 -11.894 1.00 1.09 C ATOM 1735 CG LEU A 111 1.579 -4.815 -13.190 1.00 1.27 C ATOM 1736 CD1 LEU A 111 2.366 -5.811 -14.055 1.00 2.75 C ATOM 1737 CD2 LEU A 111 0.528 -4.111 -14.060 1.00 2.04 C ATOM 0 H LEU A 111 -1.524 -5.084 -11.437 1.00 0.84 H new ATOM 0 HA LEU A 111 0.070 -7.158 -12.830 1.00 0.94 H new ATOM 0 HB2 LEU A 111 0.782 -4.690 -11.207 1.00 1.09 H new ATOM 0 HB3 LEU A 111 1.926 -5.998 -11.439 1.00 1.09 H new ATOM 0 HG LEU A 111 2.218 -4.013 -12.819 1.00 1.27 H new ATOM 0 HD11 LEU A 111 2.707 -5.314 -14.963 1.00 2.75 H new ATOM 0 HD12 LEU A 111 3.228 -6.176 -13.496 1.00 2.75 H new ATOM 0 HD13 LEU A 111 1.723 -6.650 -14.320 1.00 2.75 H new ATOM 0 HD21 LEU A 111 1.010 -3.685 -14.940 1.00 2.04 H new ATOM 0 HD22 LEU A 111 -0.227 -4.832 -14.374 1.00 2.04 H new ATOM 0 HD23 LEU A 111 0.053 -3.316 -13.485 1.00 2.04 H new ATOM 1749 N LYS A 112 -0.181 -8.628 -10.848 1.00 1.20 N ATOM 1750 CA LYS A 112 -0.203 -9.586 -9.736 1.00 1.45 C ATOM 1751 C LYS A 112 1.210 -9.788 -9.153 1.00 1.60 C ATOM 1752 O LYS A 112 1.935 -10.684 -9.583 1.00 2.24 O ATOM 1753 CB LYS A 112 -0.888 -10.875 -10.232 1.00 1.66 C ATOM 1754 CG LYS A 112 -1.457 -11.744 -9.094 1.00 2.12 C ATOM 1755 CD LYS A 112 -0.527 -12.841 -8.565 1.00 1.68 C ATOM 1756 CE LYS A 112 -0.215 -13.876 -9.655 1.00 1.93 C ATOM 1757 NZ LYS A 112 0.465 -15.060 -9.088 1.00 3.00 N ATOM 0 H LYS A 112 -0.196 -9.076 -11.764 1.00 1.20 H new ATOM 0 HA LYS A 112 -0.787 -9.209 -8.896 1.00 1.45 H new ATOM 0 HB2 LYS A 112 -1.696 -10.609 -10.914 1.00 1.66 H new ATOM 0 HB3 LYS A 112 -0.169 -11.463 -10.803 1.00 1.66 H new ATOM 0 HG2 LYS A 112 -1.727 -11.091 -8.264 1.00 2.12 H new ATOM 0 HG3 LYS A 112 -2.377 -12.212 -9.444 1.00 2.12 H new ATOM 0 HD2 LYS A 112 0.401 -12.394 -8.208 1.00 1.68 H new ATOM 0 HD3 LYS A 112 -0.992 -13.336 -7.712 1.00 1.68 H new ATOM 0 HE2 LYS A 112 -1.140 -14.183 -10.144 1.00 1.93 H new ATOM 0 HE3 LYS A 112 0.415 -13.423 -10.421 1.00 1.93 H new ATOM 0 HZ1 LYS A 112 0.679 -15.735 -9.849 1.00 3.00 H new ATOM 0 HZ2 LYS A 112 1.350 -14.765 -8.628 1.00 3.00 H new ATOM 0 HZ3 LYS A 112 -0.155 -15.514 -8.387 1.00 3.00 H new ATOM 1771 N VAL A 113 1.626 -8.930 -8.219 1.00 1.13 N ATOM 1772 CA VAL A 113 2.948 -8.947 -7.557 1.00 1.11 C ATOM 1773 C VAL A 113 2.939 -9.857 -6.317 1.00 0.98 C ATOM 1774 O VAL A 113 1.878 -10.325 -5.912 1.00 1.03 O ATOM 1775 CB VAL A 113 3.448 -7.528 -7.182 1.00 1.17 C ATOM 1776 CG1 VAL A 113 3.453 -6.583 -8.395 1.00 1.54 C ATOM 1777 CG2 VAL A 113 2.680 -6.884 -6.014 1.00 1.22 C ATOM 0 H VAL A 113 1.033 -8.171 -7.884 1.00 1.13 H new ATOM 0 HA VAL A 113 3.649 -9.354 -8.286 1.00 1.11 H new ATOM 0 HB VAL A 113 4.473 -7.676 -6.842 1.00 1.17 H new ATOM 0 HG11 VAL A 113 3.810 -5.600 -8.089 1.00 1.54 H new ATOM 0 HG12 VAL A 113 4.111 -6.984 -9.166 1.00 1.54 H new ATOM 0 HG13 VAL A 113 2.442 -6.495 -8.791 1.00 1.54 H new ATOM 0 HG21 VAL A 113 3.088 -5.894 -5.812 1.00 1.22 H new ATOM 0 HG22 VAL A 113 1.626 -6.795 -6.277 1.00 1.22 H new ATOM 0 HG23 VAL A 113 2.781 -7.506 -5.125 1.00 1.22 H new ATOM 1787 N VAL A 114 4.102 -10.063 -5.687 1.00 0.95 N ATOM 1788 CA VAL A 114 4.252 -10.740 -4.386 1.00 0.90 C ATOM 1789 C VAL A 114 5.018 -9.845 -3.396 1.00 0.97 C ATOM 1790 O VAL A 114 5.824 -9.016 -3.817 1.00 1.24 O ATOM 1791 CB VAL A 114 4.909 -12.135 -4.550 1.00 1.06 C ATOM 1792 CG1 VAL A 114 6.376 -12.053 -5.006 1.00 1.66 C ATOM 1793 CG2 VAL A 114 4.784 -12.994 -3.279 1.00 2.03 C ATOM 0 H VAL A 114 4.993 -9.755 -6.077 1.00 0.95 H new ATOM 0 HA VAL A 114 3.260 -10.911 -3.969 1.00 0.90 H new ATOM 0 HB VAL A 114 4.348 -12.628 -5.344 1.00 1.06 H new ATOM 0 HG11 VAL A 114 6.783 -13.059 -5.104 1.00 1.66 H new ATOM 0 HG12 VAL A 114 6.430 -11.545 -5.969 1.00 1.66 H new ATOM 0 HG13 VAL A 114 6.956 -11.497 -4.269 1.00 1.66 H new ATOM 0 HG21 VAL A 114 5.259 -13.961 -3.445 1.00 2.03 H new ATOM 0 HG22 VAL A 114 5.273 -12.487 -2.448 1.00 2.03 H new ATOM 0 HG23 VAL A 114 3.730 -13.144 -3.043 1.00 2.03 H new ATOM 1803 N LEU A 115 4.741 -10.014 -2.098 1.00 0.82 N ATOM 1804 CA LEU A 115 5.372 -9.358 -0.945 1.00 0.87 C ATOM 1805 C LEU A 115 5.536 -10.388 0.193 1.00 0.83 C ATOM 1806 O LEU A 115 4.602 -11.167 0.421 1.00 0.91 O ATOM 1807 CB LEU A 115 4.444 -8.244 -0.421 1.00 1.01 C ATOM 1808 CG LEU A 115 4.111 -7.107 -1.400 1.00 1.16 C ATOM 1809 CD1 LEU A 115 3.079 -6.188 -0.735 1.00 1.64 C ATOM 1810 CD2 LEU A 115 5.359 -6.301 -1.782 1.00 1.40 C ATOM 0 H LEU A 115 4.013 -10.664 -1.802 1.00 0.82 H new ATOM 0 HA LEU A 115 6.336 -8.950 -1.249 1.00 0.87 H new ATOM 0 HB2 LEU A 115 3.508 -8.703 -0.101 1.00 1.01 H new ATOM 0 HB3 LEU A 115 4.904 -7.807 0.465 1.00 1.01 H new ATOM 0 HG LEU A 115 3.712 -7.537 -2.318 1.00 1.16 H new ATOM 0 HD11 LEU A 115 2.828 -5.372 -1.413 1.00 1.64 H new ATOM 0 HD12 LEU A 115 2.179 -6.758 -0.504 1.00 1.64 H new ATOM 0 HD13 LEU A 115 3.496 -5.779 0.185 1.00 1.64 H new ATOM 0 HD21 LEU A 115 5.081 -5.507 -2.475 1.00 1.40 H new ATOM 0 HD22 LEU A 115 5.798 -5.863 -0.885 1.00 1.40 H new ATOM 0 HD23 LEU A 115 6.086 -6.960 -2.257 1.00 1.40 H new ATOM 1822 N PRO A 116 6.638 -10.370 0.965 1.00 0.81 N ATOM 1823 CA PRO A 116 6.751 -11.176 2.171 1.00 0.81 C ATOM 1824 C PRO A 116 5.817 -10.618 3.247 1.00 0.80 C ATOM 1825 O PRO A 116 5.585 -9.411 3.331 1.00 0.83 O ATOM 1826 CB PRO A 116 8.220 -11.079 2.588 1.00 0.89 C ATOM 1827 CG PRO A 116 8.626 -9.688 2.101 1.00 0.91 C ATOM 1828 CD PRO A 116 7.801 -9.509 0.826 1.00 0.89 C ATOM 0 HA PRO A 116 6.463 -12.216 2.016 1.00 0.81 H new ATOM 0 HB2 PRO A 116 8.341 -11.180 3.667 1.00 0.89 H new ATOM 0 HB3 PRO A 116 8.823 -11.860 2.125 1.00 0.89 H new ATOM 0 HG2 PRO A 116 8.397 -8.920 2.840 1.00 0.91 H new ATOM 0 HG3 PRO A 116 9.696 -9.628 1.900 1.00 0.91 H new ATOM 0 HD2 PRO A 116 7.501 -8.469 0.700 1.00 0.89 H new ATOM 0 HD3 PRO A 116 8.383 -9.782 -0.054 1.00 0.89 H new ATOM 1836 N VAL A 117 5.303 -11.475 4.119 1.00 0.85 N ATOM 1837 CA VAL A 117 4.693 -11.055 5.373 1.00 0.85 C ATOM 1838 C VAL A 117 5.806 -10.971 6.420 1.00 0.89 C ATOM 1839 O VAL A 117 6.538 -11.935 6.642 1.00 1.07 O ATOM 1840 CB VAL A 117 3.565 -12.014 5.778 1.00 0.95 C ATOM 1841 CG1 VAL A 117 2.814 -11.442 6.974 1.00 1.18 C ATOM 1842 CG2 VAL A 117 2.561 -12.197 4.628 1.00 1.00 C ATOM 0 H VAL A 117 5.298 -12.485 3.976 1.00 0.85 H new ATOM 0 HA VAL A 117 4.224 -10.076 5.274 1.00 0.85 H new ATOM 0 HB VAL A 117 4.014 -12.976 6.026 1.00 0.95 H new ATOM 0 HG11 VAL A 117 2.013 -12.124 7.261 1.00 1.18 H new ATOM 0 HG12 VAL A 117 3.502 -11.318 7.810 1.00 1.18 H new ATOM 0 HG13 VAL A 117 2.389 -10.474 6.708 1.00 1.18 H new ATOM 0 HG21 VAL A 117 1.771 -12.881 4.940 1.00 1.00 H new ATOM 0 HG22 VAL A 117 2.124 -11.232 4.369 1.00 1.00 H new ATOM 0 HG23 VAL A 117 3.074 -12.608 3.759 1.00 1.00 H new ATOM 1852 N GLU A 118 5.950 -9.803 7.041 1.00 0.87 N ATOM 1853 CA GLU A 118 7.143 -9.357 7.772 1.00 1.17 C ATOM 1854 C GLU A 118 6.703 -8.301 8.807 1.00 1.48 C ATOM 1855 O GLU A 118 5.661 -7.670 8.628 1.00 1.69 O ATOM 1856 CB GLU A 118 8.167 -8.822 6.744 1.00 1.63 C ATOM 1857 CG GLU A 118 9.608 -9.295 6.945 1.00 2.11 C ATOM 1858 CD GLU A 118 10.300 -8.456 8.002 1.00 2.16 C ATOM 1859 OE1 GLU A 118 10.062 -8.706 9.201 1.00 2.60 O ATOM 1860 OE2 GLU A 118 10.994 -7.477 7.651 1.00 3.02 O ATOM 0 H GLU A 118 5.206 -9.106 7.051 1.00 0.87 H new ATOM 0 HA GLU A 118 7.628 -10.166 8.319 1.00 1.17 H new ATOM 0 HB2 GLU A 118 7.842 -9.116 5.746 1.00 1.63 H new ATOM 0 HB3 GLU A 118 8.153 -7.733 6.776 1.00 1.63 H new ATOM 0 HG2 GLU A 118 9.615 -10.344 7.243 1.00 2.11 H new ATOM 0 HG3 GLU A 118 10.154 -9.227 6.004 1.00 2.11 H new ATOM 1867 N ALA A 119 7.414 -8.155 9.926 1.00 1.69 N ATOM 1868 CA ALA A 119 6.858 -7.556 11.150 1.00 1.83 C ATOM 1869 C ALA A 119 7.330 -6.112 11.403 1.00 2.00 C ATOM 1870 O ALA A 119 8.482 -5.888 11.796 1.00 2.80 O ATOM 1871 CB ALA A 119 7.201 -8.486 12.324 1.00 1.99 C ATOM 0 H ALA A 119 8.388 -8.446 10.014 1.00 1.69 H new ATOM 0 HA ALA A 119 5.778 -7.467 11.035 1.00 1.83 H new ATOM 0 HB1 ALA A 119 6.801 -8.068 13.248 1.00 1.99 H new ATOM 0 HB2 ALA A 119 6.762 -9.468 12.150 1.00 1.99 H new ATOM 0 HB3 ALA A 119 8.284 -8.582 12.408 1.00 1.99 H new ATOM 1877 N ARG A 120 6.431 -5.130 11.228 1.00 1.64 N ATOM 1878 CA ARG A 120 6.694 -3.693 11.450 1.00 1.74 C ATOM 1879 C ARG A 120 5.418 -2.916 11.737 1.00 1.85 C ATOM 1880 O ARG A 120 5.364 -2.237 12.779 1.00 2.27 O ATOM 1881 CB ARG A 120 7.463 -3.103 10.250 1.00 2.13 C ATOM 1882 CG ARG A 120 8.641 -2.196 10.661 1.00 2.76 C ATOM 1883 CD ARG A 120 9.968 -2.643 10.023 1.00 2.81 C ATOM 1884 NE ARG A 120 10.289 -4.023 10.413 1.00 2.96 N ATOM 1885 CZ ARG A 120 10.717 -5.013 9.658 1.00 3.92 C ATOM 1886 NH1 ARG A 120 11.101 -4.891 8.422 1.00 4.58 N ATOM 1887 NH2 ARG A 120 10.703 -6.196 10.170 1.00 5.07 N ATOM 1888 OXT ARG A 120 4.449 -3.059 10.962 1.00 2.48 O ATOM 0 H ARG A 120 5.476 -5.315 10.921 1.00 1.64 H new ATOM 0 HA ARG A 120 7.317 -3.598 12.339 1.00 1.74 H new ATOM 0 HB2 ARG A 120 7.841 -3.919 9.634 1.00 2.13 H new ATOM 0 HB3 ARG A 120 6.772 -2.530 9.632 1.00 2.13 H new ATOM 0 HG2 ARG A 120 8.426 -1.169 10.367 1.00 2.76 H new ATOM 0 HG3 ARG A 120 8.741 -2.203 11.746 1.00 2.76 H new ATOM 0 HD2 ARG A 120 9.898 -2.573 8.938 1.00 2.81 H new ATOM 0 HD3 ARG A 120 10.771 -1.975 10.334 1.00 2.81 H new ATOM 0 HE ARG A 120 10.163 -4.243 11.401 1.00 2.96 H new ATOM 0 HH11 ARG A 120 11.083 -3.977 7.970 1.00 4.58 H new ATOM 0 HH12 ARG A 120 11.420 -5.710 7.904 1.00 4.58 H new ATOM 0 HH21 ARG A 120 10.369 -6.335 11.124 1.00 5.07 H new ATOM 0 HH22 ARG A 120 11.026 -6.993 9.621 1.00 5.07 H new TER 1902 ARG A 120