USER MOD reduce.3.24.130724 H: found=0, std=0, add=927, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 926 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 46 HIS : no HD1:sc= 0.167 K(o=0.085,f=-5.7!) USER MOD Set 1.2: A 83 HIS : no HD1:sc= -0.0826 X(o=0.085,f=-0.011) USER MOD Single : A 11 SER OG : rot -162:sc= 1.06 USER MOD Single : A 15 ASN : amide:sc= 0.014 X(o=0.014,f=0) USER MOD Single : A 19 TYR OH : rot 180:sc= 0 USER MOD Single : A 21 THR OG1 : rot 165:sc= 1.2 USER MOD Single : A 24 ASN : amide:sc= 0.7 K(o=0.7,f=-5.8!) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.449 USER MOD Single : A 48 THR OG1 : rot 144:sc= 0.855 USER MOD Single : A 50 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 56 LYS NZ :NH3+ -151:sc= 0.796 (180deg=-1.76!) USER MOD Single : A 57 LYS NZ :NH3+ -156:sc= 0.821 (180deg=-0.56!) USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 61 MET CE :methyl -169:sc= 0 (180deg=-0.206) USER MOD Single : A 72 LYS NZ :NH3+ -103:sc= 0.66! (180deg=0.0587!) USER MOD Single : A 78 LYS NZ :NH3+ -147:sc= 1.26 (180deg=0.113) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 MET CE :methyl 173:sc= -0.581 (180deg=-0.689) USER MOD Single : A 90 LYS NZ :NH3+ -163:sc=-0.00409 (180deg=-1.22!) USER MOD Single : A 94 LYS NZ :NH3+ 149:sc= 0.903 (180deg=-2.27!) USER MOD Single : A 109 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 112 LYS NZ :NH3+ 145:sc= 1.19 (180deg=1.04) USER MOD ----------------------------------------------------------------- ATOM 55 N GLU A 5 10.014 2.161 5.718 1.00 1.45 N ATOM 56 CA GLU A 5 9.445 2.110 7.069 1.00 1.42 C ATOM 57 C GLU A 5 7.939 1.775 7.027 1.00 1.24 C ATOM 58 O GLU A 5 7.099 2.608 7.375 1.00 1.43 O ATOM 59 CB GLU A 5 9.694 3.481 7.734 1.00 2.58 C ATOM 60 CG GLU A 5 11.182 3.830 7.840 1.00 3.26 C ATOM 61 CD GLU A 5 11.378 5.284 8.254 1.00 4.21 C ATOM 62 OE1 GLU A 5 11.269 5.590 9.460 1.00 4.93 O ATOM 63 OE2 GLU A 5 11.604 6.130 7.357 1.00 4.91 O ATOM 0 HA GLU A 5 9.923 1.320 7.648 1.00 1.42 H new ATOM 0 HB2 GLU A 5 9.184 4.255 7.161 1.00 2.58 H new ATOM 0 HB3 GLU A 5 9.254 3.481 8.731 1.00 2.58 H new ATOM 0 HG2 GLU A 5 11.661 3.174 8.567 1.00 3.26 H new ATOM 0 HG3 GLU A 5 11.669 3.653 6.881 1.00 3.26 H new ATOM 70 N GLY A 6 7.574 0.606 6.485 1.00 1.24 N ATOM 71 CA GLY A 6 6.188 0.250 6.167 1.00 1.23 C ATOM 72 C GLY A 6 5.789 -1.111 6.708 1.00 1.11 C ATOM 73 O GLY A 6 6.644 -1.910 7.087 1.00 1.24 O ATOM 0 H GLY A 6 8.243 -0.128 6.253 1.00 1.24 H new ATOM 0 HA2 GLY A 6 5.520 1.008 6.576 1.00 1.23 H new ATOM 0 HA3 GLY A 6 6.055 0.259 5.085 1.00 1.23 H new ATOM 77 N TRP A 7 4.487 -1.397 6.683 1.00 1.09 N ATOM 78 CA TRP A 7 3.921 -2.635 7.211 1.00 1.03 C ATOM 79 C TRP A 7 2.622 -3.047 6.504 1.00 0.93 C ATOM 80 O TRP A 7 2.004 -2.264 5.787 1.00 0.95 O ATOM 81 CB TRP A 7 3.726 -2.488 8.723 1.00 1.19 C ATOM 82 CG TRP A 7 2.580 -1.643 9.195 1.00 1.15 C ATOM 83 CD1 TRP A 7 1.377 -2.125 9.570 1.00 1.16 C ATOM 84 CD2 TRP A 7 2.510 -0.202 9.433 1.00 1.43 C ATOM 85 NE1 TRP A 7 0.606 -1.123 10.112 1.00 1.33 N ATOM 86 CE2 TRP A 7 1.244 0.097 10.028 1.00 1.50 C ATOM 87 CE3 TRP A 7 3.397 0.876 9.234 1.00 1.85 C ATOM 88 CZ2 TRP A 7 0.888 1.399 10.417 1.00 1.90 C ATOM 89 CZ3 TRP A 7 3.042 2.188 9.603 1.00 2.27 C ATOM 90 CH2 TRP A 7 1.796 2.450 10.199 1.00 2.27 C ATOM 0 H TRP A 7 3.788 -0.766 6.290 1.00 1.09 H new ATOM 0 HA TRP A 7 4.623 -3.445 7.013 1.00 1.03 H new ATOM 0 HB2 TRP A 7 3.604 -3.486 9.145 1.00 1.19 H new ATOM 0 HB3 TRP A 7 4.643 -2.075 9.142 1.00 1.19 H new ATOM 0 HD1 TRP A 7 1.064 -3.153 9.460 1.00 1.16 H new ATOM 0 HE1 TRP A 7 -0.317 -1.264 10.522 1.00 1.33 H new ATOM 0 HE3 TRP A 7 4.365 0.692 8.791 1.00 1.85 H new ATOM 0 HZ2 TRP A 7 -0.070 1.590 10.877 1.00 1.90 H new ATOM 0 HZ3 TRP A 7 3.733 2.999 9.427 1.00 2.27 H new ATOM 0 HH2 TRP A 7 1.537 3.457 10.489 1.00 2.27 H new ATOM 101 N VAL A 8 2.205 -4.293 6.709 1.00 0.96 N ATOM 102 CA VAL A 8 0.889 -4.821 6.326 1.00 1.02 C ATOM 103 C VAL A 8 0.085 -4.955 7.615 1.00 1.19 C ATOM 104 O VAL A 8 0.652 -5.379 8.620 1.00 1.43 O ATOM 105 CB VAL A 8 1.000 -6.198 5.624 1.00 1.04 C ATOM 106 CG1 VAL A 8 -0.346 -6.623 5.009 1.00 1.26 C ATOM 107 CG2 VAL A 8 2.074 -6.206 4.521 1.00 0.99 C ATOM 0 H VAL A 8 2.792 -4.993 7.163 1.00 0.96 H new ATOM 0 HA VAL A 8 0.409 -4.149 5.615 1.00 1.02 H new ATOM 0 HB VAL A 8 1.290 -6.908 6.399 1.00 1.04 H new ATOM 0 HG11 VAL A 8 -0.234 -7.593 4.524 1.00 1.26 H new ATOM 0 HG12 VAL A 8 -1.099 -6.694 5.794 1.00 1.26 H new ATOM 0 HG13 VAL A 8 -0.659 -5.883 4.272 1.00 1.26 H new ATOM 0 HG21 VAL A 8 2.114 -7.192 4.059 1.00 0.99 H new ATOM 0 HG22 VAL A 8 1.825 -5.461 3.765 1.00 0.99 H new ATOM 0 HG23 VAL A 8 3.045 -5.970 4.957 1.00 0.99 H new ATOM 117 N ARG A 9 -1.211 -4.615 7.613 1.00 1.30 N ATOM 118 CA ARG A 9 -2.078 -4.907 8.767 1.00 1.39 C ATOM 119 C ARG A 9 -2.507 -6.388 8.711 1.00 1.17 C ATOM 120 O ARG A 9 -1.648 -7.255 8.554 1.00 2.27 O ATOM 121 CB ARG A 9 -3.176 -3.837 8.917 1.00 2.09 C ATOM 122 CG ARG A 9 -3.920 -3.903 10.272 1.00 2.73 C ATOM 123 CD ARG A 9 -4.187 -2.504 10.853 1.00 3.66 C ATOM 124 NE ARG A 9 -5.158 -2.531 11.966 1.00 3.97 N ATOM 125 CZ ARG A 9 -6.472 -2.349 11.915 1.00 4.11 C ATOM 126 NH1 ARG A 9 -7.103 -2.086 10.788 1.00 4.20 N ATOM 127 NH2 ARG A 9 -7.192 -2.422 13.011 1.00 4.84 N ATOM 0 H ARG A 9 -1.679 -4.144 6.838 1.00 1.30 H new ATOM 0 HA ARG A 9 -1.550 -4.819 9.716 1.00 1.39 H new ATOM 0 HB2 ARG A 9 -2.728 -2.850 8.805 1.00 2.09 H new ATOM 0 HB3 ARG A 9 -3.898 -3.953 8.109 1.00 2.09 H new ATOM 0 HG2 ARG A 9 -4.867 -4.427 10.140 1.00 2.73 H new ATOM 0 HG3 ARG A 9 -3.330 -4.483 10.981 1.00 2.73 H new ATOM 0 HD2 ARG A 9 -3.249 -2.074 11.204 1.00 3.66 H new ATOM 0 HD3 ARG A 9 -4.561 -1.852 10.064 1.00 3.66 H new ATOM 0 HE ARG A 9 -4.769 -2.713 12.891 1.00 3.97 H new ATOM 0 HH11 ARG A 9 -6.580 -2.016 9.915 1.00 4.20 H new ATOM 0 HH12 ARG A 9 -8.114 -1.952 10.789 1.00 4.20 H new ATOM 0 HH21 ARG A 9 -6.742 -2.619 13.905 1.00 4.84 H new ATOM 0 HH22 ARG A 9 -8.201 -2.282 12.968 1.00 4.84 H new ATOM 141 N PHE A 10 -3.798 -6.736 8.765 1.00 1.13 N ATOM 142 CA PHE A 10 -4.206 -8.141 8.848 1.00 1.00 C ATOM 143 C PHE A 10 -5.610 -8.399 8.293 1.00 1.07 C ATOM 144 O PHE A 10 -6.471 -7.521 8.272 1.00 1.21 O ATOM 145 CB PHE A 10 -4.044 -8.634 10.301 1.00 0.94 C ATOM 146 CG PHE A 10 -4.535 -10.048 10.556 1.00 1.11 C ATOM 147 CD1 PHE A 10 -3.973 -11.126 9.847 1.00 2.63 C ATOM 148 CD2 PHE A 10 -5.604 -10.275 11.442 1.00 1.89 C ATOM 149 CE1 PHE A 10 -4.507 -12.419 9.994 1.00 2.97 C ATOM 150 CE2 PHE A 10 -6.117 -11.574 11.607 1.00 1.86 C ATOM 151 CZ PHE A 10 -5.579 -12.645 10.875 1.00 1.75 C ATOM 0 H PHE A 10 -4.571 -6.070 8.753 1.00 1.13 H new ATOM 0 HA PHE A 10 -3.548 -8.722 8.203 1.00 1.00 H new ATOM 0 HB2 PHE A 10 -2.990 -8.577 10.573 1.00 0.94 H new ATOM 0 HB3 PHE A 10 -4.581 -7.954 10.962 1.00 0.94 H new ATOM 0 HD1 PHE A 10 -3.132 -10.961 9.190 1.00 2.63 H new ATOM 0 HD2 PHE A 10 -6.031 -9.452 11.995 1.00 1.89 H new ATOM 0 HE1 PHE A 10 -4.092 -13.240 9.429 1.00 2.97 H new ATOM 0 HE2 PHE A 10 -6.928 -11.749 12.299 1.00 1.86 H new ATOM 0 HZ PHE A 10 -5.987 -13.638 10.988 1.00 1.75 H new ATOM 161 N SER A 11 -5.808 -9.640 7.859 1.00 1.08 N ATOM 162 CA SER A 11 -7.038 -10.287 7.407 1.00 1.13 C ATOM 163 C SER A 11 -6.691 -11.758 7.109 1.00 1.06 C ATOM 164 O SER A 11 -5.607 -11.992 6.561 1.00 1.22 O ATOM 165 CB SER A 11 -7.573 -9.623 6.140 1.00 1.42 C ATOM 166 OG SER A 11 -8.803 -10.199 5.748 1.00 2.20 O ATOM 0 H SER A 11 -5.023 -10.290 7.810 1.00 1.08 H new ATOM 0 HA SER A 11 -7.808 -10.204 8.174 1.00 1.13 H new ATOM 0 HB2 SER A 11 -7.706 -8.555 6.313 1.00 1.42 H new ATOM 0 HB3 SER A 11 -6.845 -9.727 5.335 1.00 1.42 H new ATOM 0 HG SER A 11 -8.986 -9.974 4.812 1.00 2.20 H new ATOM 172 N PRO A 12 -7.549 -12.741 7.441 1.00 1.04 N ATOM 173 CA PRO A 12 -7.302 -14.143 7.110 1.00 1.12 C ATOM 174 C PRO A 12 -7.546 -14.436 5.624 1.00 0.98 C ATOM 175 O PRO A 12 -6.874 -15.281 5.042 1.00 1.13 O ATOM 176 CB PRO A 12 -8.277 -14.924 7.995 1.00 1.30 C ATOM 177 CG PRO A 12 -9.461 -13.970 8.169 1.00 1.26 C ATOM 178 CD PRO A 12 -8.791 -12.596 8.191 1.00 1.14 C ATOM 0 HA PRO A 12 -6.263 -14.421 7.287 1.00 1.12 H new ATOM 0 HB2 PRO A 12 -8.583 -15.859 7.525 1.00 1.30 H new ATOM 0 HB3 PRO A 12 -7.827 -15.182 8.954 1.00 1.30 H new ATOM 0 HG2 PRO A 12 -10.175 -14.058 7.350 1.00 1.26 H new ATOM 0 HG3 PRO A 12 -10.007 -14.168 9.091 1.00 1.26 H new ATOM 0 HD2 PRO A 12 -9.434 -11.841 7.738 1.00 1.14 H new ATOM 0 HD3 PRO A 12 -8.594 -12.275 9.214 1.00 1.14 H new ATOM 186 N GLY A 13 -8.503 -13.728 5.014 1.00 0.84 N ATOM 187 CA GLY A 13 -8.913 -13.905 3.622 1.00 0.78 C ATOM 188 C GLY A 13 -10.339 -13.402 3.357 1.00 0.76 C ATOM 189 O GLY A 13 -11.036 -13.032 4.300 1.00 0.86 O ATOM 0 H GLY A 13 -9.027 -12.995 5.492 1.00 0.84 H new ATOM 0 HA2 GLY A 13 -8.218 -13.373 2.972 1.00 0.78 H new ATOM 0 HA3 GLY A 13 -8.850 -14.961 3.360 1.00 0.78 H new ATOM 193 N PRO A 14 -10.789 -13.351 2.088 1.00 0.74 N ATOM 194 CA PRO A 14 -10.012 -13.614 0.876 1.00 0.76 C ATOM 195 C PRO A 14 -9.074 -12.449 0.510 1.00 0.70 C ATOM 196 O PRO A 14 -8.381 -12.526 -0.507 1.00 0.75 O ATOM 197 CB PRO A 14 -11.073 -13.835 -0.210 1.00 0.87 C ATOM 198 CG PRO A 14 -12.194 -12.887 0.211 1.00 0.88 C ATOM 199 CD PRO A 14 -12.150 -12.967 1.738 1.00 0.83 C ATOM 0 HA PRO A 14 -9.349 -14.470 1.003 1.00 0.76 H new ATOM 0 HB2 PRO A 14 -10.692 -13.594 -1.202 1.00 0.87 H new ATOM 0 HB3 PRO A 14 -11.410 -14.871 -0.241 1.00 0.87 H new ATOM 0 HG2 PRO A 14 -12.021 -11.872 -0.146 1.00 0.88 H new ATOM 0 HG3 PRO A 14 -13.160 -13.203 -0.183 1.00 0.88 H new ATOM 0 HD2 PRO A 14 -12.411 -12.008 2.185 1.00 0.83 H new ATOM 0 HD3 PRO A 14 -12.868 -13.698 2.110 1.00 0.83 H new ATOM 207 N ASN A 15 -9.046 -11.375 1.313 1.00 0.65 N ATOM 208 CA ASN A 15 -8.303 -10.157 1.002 1.00 0.55 C ATOM 209 C ASN A 15 -7.822 -9.348 2.217 1.00 0.54 C ATOM 210 O ASN A 15 -8.529 -9.206 3.217 1.00 0.96 O ATOM 211 CB ASN A 15 -9.108 -9.288 0.026 1.00 0.65 C ATOM 212 CG ASN A 15 -10.541 -8.951 0.413 1.00 1.06 C ATOM 213 OD1 ASN A 15 -11.466 -9.172 -0.350 1.00 2.49 O ATOM 214 ND2 ASN A 15 -10.780 -8.394 1.583 1.00 1.96 N ATOM 0 H ASN A 15 -9.544 -11.333 2.202 1.00 0.65 H new ATOM 0 HA ASN A 15 -7.378 -10.489 0.530 1.00 0.55 H new ATOM 0 HB2 ASN A 15 -8.568 -8.352 -0.117 1.00 0.65 H new ATOM 0 HB3 ASN A 15 -9.129 -9.795 -0.939 1.00 0.65 H new ATOM 0 HD21 ASN A 15 -11.735 -8.150 1.846 1.00 1.96 H new ATOM 0 HD22 ASN A 15 -10.010 -8.207 2.225 1.00 1.96 H new ATOM 221 N ALA A 16 -6.641 -8.748 2.062 1.00 0.44 N ATOM 222 CA ALA A 16 -5.921 -7.897 3.032 1.00 0.40 C ATOM 223 C ALA A 16 -5.663 -6.465 2.492 1.00 0.38 C ATOM 224 O ALA A 16 -6.124 -6.121 1.404 1.00 0.37 O ATOM 225 CB ALA A 16 -4.620 -8.626 3.415 1.00 0.48 C ATOM 0 H ALA A 16 -6.117 -8.847 1.193 1.00 0.44 H new ATOM 0 HA ALA A 16 -6.536 -7.748 3.919 1.00 0.40 H new ATOM 0 HB1 ALA A 16 -4.063 -8.023 4.132 1.00 0.48 H new ATOM 0 HB2 ALA A 16 -4.861 -9.590 3.862 1.00 0.48 H new ATOM 0 HB3 ALA A 16 -4.014 -8.781 2.523 1.00 0.48 H new ATOM 231 N ALA A 17 -4.948 -5.619 3.246 1.00 0.43 N ATOM 232 CA ALA A 17 -4.494 -4.285 2.822 1.00 0.42 C ATOM 233 C ALA A 17 -3.080 -3.980 3.372 1.00 0.54 C ATOM 234 O ALA A 17 -2.856 -4.190 4.566 1.00 1.01 O ATOM 235 CB ALA A 17 -5.489 -3.243 3.355 1.00 0.47 C ATOM 0 H ALA A 17 -4.660 -5.850 4.197 1.00 0.43 H new ATOM 0 HA ALA A 17 -4.447 -4.251 1.734 1.00 0.42 H new ATOM 0 HB1 ALA A 17 -5.170 -2.246 3.051 1.00 0.47 H new ATOM 0 HB2 ALA A 17 -6.480 -3.446 2.950 1.00 0.47 H new ATOM 0 HB3 ALA A 17 -5.524 -3.297 4.443 1.00 0.47 H new ATOM 241 N ALA A 18 -2.147 -3.474 2.555 1.00 0.39 N ATOM 242 CA ALA A 18 -0.795 -3.091 2.969 1.00 0.42 C ATOM 243 C ALA A 18 -0.587 -1.573 2.975 1.00 0.42 C ATOM 244 O ALA A 18 -1.037 -0.849 2.087 1.00 0.44 O ATOM 245 CB ALA A 18 0.250 -3.777 2.078 1.00 0.55 C ATOM 0 H ALA A 18 -2.318 -3.316 1.562 1.00 0.39 H new ATOM 0 HA ALA A 18 -0.668 -3.429 3.997 1.00 0.42 H new ATOM 0 HB1 ALA A 18 1.250 -3.483 2.397 1.00 0.55 H new ATOM 0 HB2 ALA A 18 0.146 -4.859 2.162 1.00 0.55 H new ATOM 0 HB3 ALA A 18 0.097 -3.477 1.041 1.00 0.55 H new ATOM 251 N TYR A 19 0.154 -1.124 3.977 1.00 0.51 N ATOM 252 CA TYR A 19 0.563 0.254 4.252 1.00 0.55 C ATOM 253 C TYR A 19 2.095 0.380 4.144 1.00 0.61 C ATOM 254 O TYR A 19 2.791 0.703 5.109 1.00 1.20 O ATOM 255 CB TYR A 19 0.036 0.652 5.643 1.00 0.63 C ATOM 256 CG TYR A 19 -1.469 0.540 5.797 1.00 0.76 C ATOM 257 CD1 TYR A 19 -2.292 1.638 5.484 1.00 2.26 C ATOM 258 CD2 TYR A 19 -2.052 -0.662 6.246 1.00 1.72 C ATOM 259 CE1 TYR A 19 -3.682 1.560 5.676 1.00 2.41 C ATOM 260 CE2 TYR A 19 -3.448 -0.760 6.402 1.00 1.79 C ATOM 261 CZ TYR A 19 -4.265 0.358 6.131 1.00 1.22 C ATOM 262 OH TYR A 19 -5.612 0.272 6.294 1.00 1.48 O ATOM 0 H TYR A 19 0.518 -1.766 4.681 1.00 0.51 H new ATOM 0 HA TYR A 19 0.139 0.939 3.517 1.00 0.55 H new ATOM 0 HB2 TYR A 19 0.514 0.022 6.393 1.00 0.63 H new ATOM 0 HB3 TYR A 19 0.335 1.679 5.852 1.00 0.63 H new ATOM 0 HD1 TYR A 19 -1.853 2.545 5.094 1.00 2.26 H new ATOM 0 HD2 TYR A 19 -1.425 -1.512 6.471 1.00 1.72 H new ATOM 0 HE1 TYR A 19 -4.304 2.420 5.475 1.00 2.41 H new ATOM 0 HE2 TYR A 19 -3.892 -1.689 6.728 1.00 1.79 H new ATOM 0 HH TYR A 19 -5.846 -0.625 6.612 1.00 1.48 H new ATOM 272 N LEU A 20 2.652 0.050 2.968 1.00 0.97 N ATOM 273 CA LEU A 20 4.096 0.164 2.728 1.00 1.01 C ATOM 274 C LEU A 20 4.574 1.626 2.795 1.00 0.87 C ATOM 275 O LEU A 20 3.780 2.556 2.634 1.00 0.80 O ATOM 276 CB LEU A 20 4.479 -0.580 1.431 1.00 1.14 C ATOM 277 CG LEU A 20 4.092 0.094 0.094 1.00 1.09 C ATOM 278 CD1 LEU A 20 5.136 1.110 -0.405 1.00 1.81 C ATOM 279 CD2 LEU A 20 3.932 -0.991 -0.977 1.00 1.50 C ATOM 0 H LEU A 20 2.122 -0.298 2.169 1.00 0.97 H new ATOM 0 HA LEU A 20 4.637 -0.332 3.534 1.00 1.01 H new ATOM 0 HB2 LEU A 20 5.558 -0.732 1.434 1.00 1.14 H new ATOM 0 HB3 LEU A 20 4.018 -1.567 1.458 1.00 1.14 H new ATOM 0 HG LEU A 20 3.165 0.639 0.272 1.00 1.09 H new ATOM 0 HD11 LEU A 20 4.800 1.544 -1.347 1.00 1.81 H new ATOM 0 HD12 LEU A 20 5.258 1.900 0.336 1.00 1.81 H new ATOM 0 HD13 LEU A 20 6.090 0.606 -0.558 1.00 1.81 H new ATOM 0 HD21 LEU A 20 3.659 -0.529 -1.925 1.00 1.50 H new ATOM 0 HD22 LEU A 20 4.873 -1.529 -1.093 1.00 1.50 H new ATOM 0 HD23 LEU A 20 3.150 -1.688 -0.675 1.00 1.50 H new ATOM 291 N THR A 21 5.886 1.830 2.962 1.00 1.00 N ATOM 292 CA THR A 21 6.514 3.156 2.889 1.00 0.98 C ATOM 293 C THR A 21 7.336 3.297 1.624 1.00 1.08 C ATOM 294 O THR A 21 8.006 2.359 1.197 1.00 1.33 O ATOM 295 CB THR A 21 7.304 3.473 4.160 1.00 1.09 C ATOM 296 OG1 THR A 21 6.313 3.722 5.118 1.00 1.47 O ATOM 297 CG2 THR A 21 8.177 4.722 4.035 1.00 1.38 C ATOM 0 H THR A 21 6.546 1.076 3.153 1.00 1.00 H new ATOM 0 HA THR A 21 5.726 3.907 2.832 1.00 0.98 H new ATOM 0 HB THR A 21 7.983 2.654 4.398 1.00 1.09 H new ATOM 0 HG1 THR A 21 6.709 3.692 6.014 1.00 1.47 H new ATOM 0 HG21 THR A 21 8.709 4.889 4.971 1.00 1.38 H new ATOM 0 HG22 THR A 21 8.897 4.584 3.228 1.00 1.38 H new ATOM 0 HG23 THR A 21 7.548 5.585 3.816 1.00 1.38 H new ATOM 305 N LEU A 22 7.245 4.484 1.025 1.00 1.14 N ATOM 306 CA LEU A 22 7.931 4.818 -0.220 1.00 1.44 C ATOM 307 C LEU A 22 9.134 5.723 0.064 1.00 1.10 C ATOM 308 O LEU A 22 9.000 6.779 0.685 1.00 1.07 O ATOM 309 CB LEU A 22 6.912 5.470 -1.178 1.00 2.00 C ATOM 310 CG LEU A 22 7.125 5.252 -2.684 1.00 2.63 C ATOM 311 CD1 LEU A 22 8.447 5.844 -3.188 1.00 3.13 C ATOM 312 CD2 LEU A 22 7.016 3.759 -3.006 1.00 3.01 C ATOM 0 H LEU A 22 6.684 5.251 1.397 1.00 1.14 H new ATOM 0 HA LEU A 22 8.325 3.921 -0.697 1.00 1.44 H new ATOM 0 HB2 LEU A 22 5.920 5.099 -0.920 1.00 2.00 H new ATOM 0 HB3 LEU A 22 6.910 6.543 -0.989 1.00 2.00 H new ATOM 0 HG LEU A 22 6.340 5.790 -3.215 1.00 2.63 H new ATOM 0 HD11 LEU A 22 8.544 5.660 -4.258 1.00 3.13 H new ATOM 0 HD12 LEU A 22 8.459 6.918 -3.002 1.00 3.13 H new ATOM 0 HD13 LEU A 22 9.279 5.375 -2.663 1.00 3.13 H new ATOM 0 HD21 LEU A 22 7.167 3.605 -4.074 1.00 3.01 H new ATOM 0 HD22 LEU A 22 7.776 3.210 -2.449 1.00 3.01 H new ATOM 0 HD23 LEU A 22 6.027 3.397 -2.724 1.00 3.01 H new ATOM 324 N GLU A 23 10.298 5.320 -0.438 1.00 1.12 N ATOM 325 CA GLU A 23 11.549 6.068 -0.377 1.00 1.18 C ATOM 326 C GLU A 23 11.959 6.524 -1.776 1.00 0.98 C ATOM 327 O GLU A 23 11.748 5.803 -2.749 1.00 1.18 O ATOM 328 CB GLU A 23 12.640 5.189 0.250 1.00 1.86 C ATOM 329 CG GLU A 23 12.981 3.937 -0.576 1.00 3.54 C ATOM 330 CD GLU A 23 13.908 3.044 0.216 1.00 4.60 C ATOM 331 OE1 GLU A 23 13.430 2.441 1.194 1.00 5.14 O ATOM 332 OE2 GLU A 23 15.123 3.012 -0.063 1.00 5.50 O ATOM 0 H GLU A 23 10.399 4.426 -0.918 1.00 1.12 H new ATOM 0 HA GLU A 23 11.412 6.955 0.242 1.00 1.18 H new ATOM 0 HB2 GLU A 23 13.544 5.785 0.379 1.00 1.86 H new ATOM 0 HB3 GLU A 23 12.317 4.880 1.244 1.00 1.86 H new ATOM 0 HG2 GLU A 23 12.069 3.397 -0.830 1.00 3.54 H new ATOM 0 HG3 GLU A 23 13.453 4.226 -1.515 1.00 3.54 H new ATOM 339 N ASN A 24 12.578 7.701 -1.876 1.00 1.06 N ATOM 340 CA ASN A 24 12.990 8.293 -3.147 1.00 0.87 C ATOM 341 C ASN A 24 14.474 8.715 -3.131 1.00 0.85 C ATOM 342 O ASN A 24 14.773 9.892 -3.328 1.00 0.92 O ATOM 343 CB ASN A 24 12.020 9.450 -3.454 1.00 1.09 C ATOM 344 CG ASN A 24 11.841 9.714 -4.942 1.00 1.16 C ATOM 345 OD1 ASN A 24 10.731 9.854 -5.419 1.00 2.81 O ATOM 346 ND2 ASN A 24 12.899 9.775 -5.728 1.00 1.57 N ATOM 0 H ASN A 24 12.810 8.276 -1.066 1.00 1.06 H new ATOM 0 HA ASN A 24 12.931 7.561 -3.952 1.00 0.87 H new ATOM 0 HB2 ASN A 24 11.049 9.226 -3.014 1.00 1.09 H new ATOM 0 HB3 ASN A 24 12.386 10.357 -2.974 1.00 1.09 H new ATOM 0 HD21 ASN A 24 12.783 9.939 -6.728 1.00 1.57 H new ATOM 0 HD22 ASN A 24 13.833 9.659 -5.336 1.00 1.57 H new ATOM 353 N PRO A 25 15.426 7.781 -2.922 1.00 1.10 N ATOM 354 CA PRO A 25 16.856 8.090 -2.795 1.00 1.19 C ATOM 355 C PRO A 25 17.479 8.760 -4.034 1.00 1.21 C ATOM 356 O PRO A 25 18.516 9.413 -3.903 1.00 1.27 O ATOM 357 CB PRO A 25 17.530 6.747 -2.481 1.00 1.37 C ATOM 358 CG PRO A 25 16.563 5.708 -3.048 1.00 1.49 C ATOM 359 CD PRO A 25 15.209 6.348 -2.777 1.00 1.38 C ATOM 0 HA PRO A 25 17.005 8.833 -2.011 1.00 1.19 H new ATOM 0 HB2 PRO A 25 18.513 6.675 -2.947 1.00 1.37 H new ATOM 0 HB3 PRO A 25 17.675 6.614 -1.409 1.00 1.37 H new ATOM 0 HG2 PRO A 25 16.727 5.537 -4.112 1.00 1.49 H new ATOM 0 HG3 PRO A 25 16.664 4.743 -2.551 1.00 1.49 H new ATOM 0 HD2 PRO A 25 14.457 5.991 -3.481 1.00 1.38 H new ATOM 0 HD3 PRO A 25 14.851 6.103 -1.777 1.00 1.38 H new ATOM 367 N GLY A 26 16.858 8.639 -5.215 1.00 1.23 N ATOM 368 CA GLY A 26 17.284 9.307 -6.442 1.00 1.22 C ATOM 369 C GLY A 26 16.902 10.788 -6.500 1.00 1.07 C ATOM 370 O GLY A 26 16.456 11.395 -5.531 1.00 1.38 O ATOM 0 H GLY A 26 16.028 8.060 -5.342 1.00 1.23 H new ATOM 0 HA2 GLY A 26 18.366 9.216 -6.538 1.00 1.22 H new ATOM 0 HA3 GLY A 26 16.844 8.793 -7.297 1.00 1.22 H new ATOM 374 N ASP A 27 17.127 11.368 -7.670 1.00 1.02 N ATOM 375 CA ASP A 27 17.178 12.806 -7.924 1.00 1.37 C ATOM 376 C ASP A 27 16.001 13.292 -8.782 1.00 1.39 C ATOM 377 O ASP A 27 15.825 14.483 -9.026 1.00 1.67 O ATOM 378 CB ASP A 27 18.524 13.025 -8.619 1.00 1.71 C ATOM 379 CG ASP A 27 19.668 12.747 -7.643 1.00 2.19 C ATOM 380 OD1 ASP A 27 20.093 13.681 -6.934 1.00 2.75 O ATOM 381 OD2 ASP A 27 20.005 11.556 -7.436 1.00 3.09 O ATOM 0 H ASP A 27 17.288 10.821 -8.516 1.00 1.02 H new ATOM 0 HA ASP A 27 17.092 13.382 -7.003 1.00 1.37 H new ATOM 0 HB2 ASP A 27 18.606 12.368 -9.485 1.00 1.71 H new ATOM 0 HB3 ASP A 27 18.590 14.049 -8.987 1.00 1.71 H new ATOM 386 N LEU A 28 15.171 12.338 -9.205 1.00 1.15 N ATOM 387 CA LEU A 28 13.932 12.507 -9.950 1.00 1.15 C ATOM 388 C LEU A 28 12.770 11.827 -9.202 1.00 1.09 C ATOM 389 O LEU A 28 13.020 10.900 -8.422 1.00 1.03 O ATOM 390 CB LEU A 28 14.171 11.992 -11.379 1.00 1.15 C ATOM 391 CG LEU A 28 14.416 10.474 -11.541 1.00 2.08 C ATOM 392 CD1 LEU A 28 13.113 9.664 -11.666 1.00 3.00 C ATOM 393 CD2 LEU A 28 15.256 10.224 -12.804 1.00 2.61 C ATOM 0 H LEU A 28 15.366 11.354 -9.019 1.00 1.15 H new ATOM 0 HA LEU A 28 13.636 13.553 -10.030 1.00 1.15 H new ATOM 0 HB2 LEU A 28 13.308 12.264 -11.987 1.00 1.15 H new ATOM 0 HB3 LEU A 28 15.030 12.521 -11.791 1.00 1.15 H new ATOM 0 HG LEU A 28 14.933 10.143 -10.640 1.00 2.08 H new ATOM 0 HD11 LEU A 28 13.351 8.606 -11.777 1.00 3.00 H new ATOM 0 HD12 LEU A 28 12.508 9.808 -10.771 1.00 3.00 H new ATOM 0 HD13 LEU A 28 12.556 10.004 -12.539 1.00 3.00 H new ATOM 0 HD21 LEU A 28 15.430 9.154 -12.920 1.00 2.61 H new ATOM 0 HD22 LEU A 28 14.723 10.601 -13.676 1.00 2.61 H new ATOM 0 HD23 LEU A 28 16.212 10.739 -12.713 1.00 2.61 H new ATOM 405 N PRO A 29 11.515 12.270 -9.405 1.00 1.21 N ATOM 406 CA PRO A 29 10.385 11.825 -8.605 1.00 1.22 C ATOM 407 C PRO A 29 9.933 10.424 -9.017 1.00 1.10 C ATOM 408 O PRO A 29 9.854 10.095 -10.203 1.00 1.14 O ATOM 409 CB PRO A 29 9.286 12.863 -8.826 1.00 1.41 C ATOM 410 CG PRO A 29 9.575 13.391 -10.228 1.00 1.47 C ATOM 411 CD PRO A 29 11.095 13.273 -10.372 1.00 1.39 C ATOM 0 HA PRO A 29 10.646 11.750 -7.549 1.00 1.22 H new ATOM 0 HB2 PRO A 29 8.293 12.417 -8.761 1.00 1.41 H new ATOM 0 HB3 PRO A 29 9.328 13.657 -8.081 1.00 1.41 H new ATOM 0 HG2 PRO A 29 9.057 12.806 -10.988 1.00 1.47 H new ATOM 0 HG3 PRO A 29 9.244 14.423 -10.340 1.00 1.47 H new ATOM 0 HD2 PRO A 29 11.369 12.977 -11.385 1.00 1.39 H new ATOM 0 HD3 PRO A 29 11.580 14.229 -10.177 1.00 1.39 H new ATOM 419 N LEU A 30 9.615 9.603 -8.018 1.00 1.12 N ATOM 420 CA LEU A 30 9.073 8.264 -8.223 1.00 1.03 C ATOM 421 C LEU A 30 7.557 8.241 -8.169 1.00 1.08 C ATOM 422 O LEU A 30 6.901 8.797 -7.296 1.00 1.39 O ATOM 423 CB LEU A 30 9.622 7.271 -7.203 1.00 1.02 C ATOM 424 CG LEU A 30 11.070 6.869 -7.484 1.00 0.95 C ATOM 425 CD1 LEU A 30 11.665 6.191 -6.246 1.00 2.17 C ATOM 426 CD2 LEU A 30 11.191 5.919 -8.682 1.00 1.54 C ATOM 0 H LEU A 30 9.728 9.852 -7.035 1.00 1.12 H new ATOM 0 HA LEU A 30 9.390 7.966 -9.222 1.00 1.03 H new ATOM 0 HB2 LEU A 30 9.559 7.709 -6.207 1.00 1.02 H new ATOM 0 HB3 LEU A 30 8.997 6.378 -7.199 1.00 1.02 H new ATOM 0 HG LEU A 30 11.617 7.780 -7.725 1.00 0.95 H new ATOM 0 HD11 LEU A 30 12.697 5.905 -6.448 1.00 2.17 H new ATOM 0 HD12 LEU A 30 11.638 6.883 -5.404 1.00 2.17 H new ATOM 0 HD13 LEU A 30 11.083 5.302 -6.003 1.00 2.17 H new ATOM 0 HD21 LEU A 30 12.239 5.664 -8.840 1.00 1.54 H new ATOM 0 HD22 LEU A 30 10.622 5.010 -8.485 1.00 1.54 H new ATOM 0 HD23 LEU A 30 10.798 6.407 -9.574 1.00 1.54 H new ATOM 438 N ARG A 31 7.031 7.479 -9.107 1.00 0.81 N ATOM 439 CA ARG A 31 5.596 7.364 -9.402 1.00 0.68 C ATOM 440 C ARG A 31 5.124 5.918 -9.324 1.00 0.58 C ATOM 441 O ARG A 31 5.269 5.154 -10.276 1.00 0.53 O ATOM 442 CB ARG A 31 5.272 8.006 -10.756 1.00 0.73 C ATOM 443 CG ARG A 31 3.759 7.948 -11.045 1.00 0.68 C ATOM 444 CD ARG A 31 3.265 8.977 -12.068 1.00 0.76 C ATOM 445 NE ARG A 31 4.043 8.965 -13.322 1.00 1.71 N ATOM 446 CZ ARG A 31 4.935 9.878 -13.701 1.00 2.13 C ATOM 447 NH1 ARG A 31 5.290 10.895 -12.948 1.00 2.80 N ATOM 448 NH2 ARG A 31 5.499 9.790 -14.887 1.00 3.40 N ATOM 0 H ARG A 31 7.605 6.895 -9.715 1.00 0.81 H new ATOM 0 HA ARG A 31 5.045 7.912 -8.638 1.00 0.68 H new ATOM 0 HB2 ARG A 31 5.608 9.043 -10.761 1.00 0.73 H new ATOM 0 HB3 ARG A 31 5.817 7.491 -11.547 1.00 0.73 H new ATOM 0 HG2 ARG A 31 3.509 6.950 -11.404 1.00 0.68 H new ATOM 0 HG3 ARG A 31 3.218 8.096 -10.110 1.00 0.68 H new ATOM 0 HD2 ARG A 31 2.217 8.780 -12.295 1.00 0.76 H new ATOM 0 HD3 ARG A 31 3.314 9.972 -11.626 1.00 0.76 H new ATOM 0 HE ARG A 31 3.882 8.184 -13.958 1.00 1.71 H new ATOM 0 HH11 ARG A 31 4.877 11.014 -12.023 1.00 2.80 H new ATOM 0 HH12 ARG A 31 5.979 11.566 -13.288 1.00 2.80 H new ATOM 0 HH21 ARG A 31 5.252 9.024 -15.513 1.00 3.40 H new ATOM 0 HH22 ARG A 31 6.183 10.488 -15.180 1.00 3.40 H new ATOM 462 N LEU A 32 4.581 5.538 -8.179 1.00 0.63 N ATOM 463 CA LEU A 32 4.128 4.195 -7.840 1.00 0.53 C ATOM 464 C LEU A 32 2.752 3.936 -8.462 1.00 0.46 C ATOM 465 O LEU A 32 1.768 4.490 -7.991 1.00 0.49 O ATOM 466 CB LEU A 32 4.089 4.159 -6.307 1.00 0.55 C ATOM 467 CG LEU A 32 3.732 2.802 -5.678 1.00 0.69 C ATOM 468 CD1 LEU A 32 4.820 1.750 -5.934 1.00 1.91 C ATOM 469 CD2 LEU A 32 3.535 3.016 -4.170 1.00 2.38 C ATOM 0 H LEU A 32 4.435 6.197 -7.414 1.00 0.63 H new ATOM 0 HA LEU A 32 4.784 3.415 -8.226 1.00 0.53 H new ATOM 0 HB2 LEU A 32 5.064 4.467 -5.930 1.00 0.55 H new ATOM 0 HB3 LEU A 32 3.366 4.899 -5.963 1.00 0.55 H new ATOM 0 HG LEU A 32 2.818 2.423 -6.135 1.00 0.69 H new ATOM 0 HD11 LEU A 32 4.529 0.806 -5.473 1.00 1.91 H new ATOM 0 HD12 LEU A 32 4.943 1.607 -7.008 1.00 1.91 H new ATOM 0 HD13 LEU A 32 5.762 2.089 -5.503 1.00 1.91 H new ATOM 0 HD21 LEU A 32 3.280 2.067 -3.698 1.00 2.38 H new ATOM 0 HD22 LEU A 32 4.456 3.402 -3.734 1.00 2.38 H new ATOM 0 HD23 LEU A 32 2.728 3.731 -4.006 1.00 2.38 H new ATOM 481 N VAL A 33 2.668 3.105 -9.498 1.00 0.41 N ATOM 482 CA VAL A 33 1.406 2.866 -10.236 1.00 0.41 C ATOM 483 C VAL A 33 0.685 1.590 -9.780 1.00 0.40 C ATOM 484 O VAL A 33 -0.528 1.480 -9.932 1.00 0.47 O ATOM 485 CB VAL A 33 1.619 2.834 -11.769 1.00 0.43 C ATOM 486 CG1 VAL A 33 2.304 4.117 -12.278 1.00 0.53 C ATOM 487 CG2 VAL A 33 2.448 1.632 -12.260 1.00 0.41 C ATOM 0 H VAL A 33 3.462 2.575 -9.857 1.00 0.41 H new ATOM 0 HA VAL A 33 0.767 3.716 -9.996 1.00 0.41 H new ATOM 0 HB VAL A 33 0.612 2.747 -12.176 1.00 0.43 H new ATOM 0 HG11 VAL A 33 2.435 4.055 -13.358 1.00 0.53 H new ATOM 0 HG12 VAL A 33 1.684 4.981 -12.037 1.00 0.53 H new ATOM 0 HG13 VAL A 33 3.278 4.224 -11.800 1.00 0.53 H new ATOM 0 HG21 VAL A 33 2.553 1.681 -13.344 1.00 0.41 H new ATOM 0 HG22 VAL A 33 3.435 1.658 -11.798 1.00 0.41 H new ATOM 0 HG23 VAL A 33 1.943 0.706 -11.986 1.00 0.41 H new ATOM 497 N GLY A 34 1.423 0.619 -9.233 1.00 0.38 N ATOM 498 CA GLY A 34 0.889 -0.643 -8.719 1.00 0.42 C ATOM 499 C GLY A 34 1.822 -1.301 -7.720 1.00 0.42 C ATOM 500 O GLY A 34 2.873 -0.762 -7.361 1.00 0.43 O ATOM 0 H GLY A 34 2.435 0.693 -9.134 1.00 0.38 H new ATOM 0 HA2 GLY A 34 -0.076 -0.460 -8.246 1.00 0.42 H new ATOM 0 HA3 GLY A 34 0.712 -1.325 -9.551 1.00 0.42 H new ATOM 504 N ALA A 35 1.442 -2.510 -7.319 1.00 0.46 N ATOM 505 CA ALA A 35 2.327 -3.449 -6.656 1.00 0.41 C ATOM 506 C ALA A 35 2.276 -4.845 -7.308 1.00 0.41 C ATOM 507 O ALA A 35 1.456 -5.089 -8.195 1.00 0.51 O ATOM 508 CB ALA A 35 1.981 -3.473 -5.164 1.00 0.43 C ATOM 0 H ALA A 35 0.495 -2.866 -7.450 1.00 0.46 H new ATOM 0 HA ALA A 35 3.361 -3.123 -6.768 1.00 0.41 H new ATOM 0 HB1 ALA A 35 2.638 -4.175 -4.649 1.00 0.43 H new ATOM 0 HB2 ALA A 35 2.114 -2.476 -4.744 1.00 0.43 H new ATOM 0 HB3 ALA A 35 0.945 -3.785 -5.036 1.00 0.43 H new ATOM 514 N ARG A 36 3.150 -5.739 -6.836 1.00 0.44 N ATOM 515 CA ARG A 36 3.097 -7.216 -6.900 1.00 0.45 C ATOM 516 C ARG A 36 3.577 -7.749 -5.523 1.00 0.43 C ATOM 517 O ARG A 36 4.026 -6.959 -4.692 1.00 0.53 O ATOM 518 CB ARG A 36 3.942 -7.751 -8.087 1.00 0.57 C ATOM 519 CG ARG A 36 3.234 -7.671 -9.447 1.00 1.60 C ATOM 520 CD ARG A 36 4.178 -7.740 -10.660 1.00 2.64 C ATOM 521 NE ARG A 36 4.907 -9.021 -10.778 1.00 2.82 N ATOM 522 CZ ARG A 36 6.139 -9.279 -10.342 1.00 3.90 C ATOM 523 NH1 ARG A 36 6.869 -8.357 -9.754 1.00 4.86 N ATOM 524 NH2 ARG A 36 6.675 -10.470 -10.510 1.00 4.75 N ATOM 0 H ARG A 36 3.993 -5.426 -6.354 1.00 0.44 H new ATOM 0 HA ARG A 36 2.083 -7.570 -7.089 1.00 0.45 H new ATOM 0 HB2 ARG A 36 4.873 -7.186 -8.140 1.00 0.57 H new ATOM 0 HB3 ARG A 36 4.210 -8.789 -7.889 1.00 0.57 H new ATOM 0 HG2 ARG A 36 2.513 -8.486 -9.516 1.00 1.60 H new ATOM 0 HG3 ARG A 36 2.669 -6.740 -9.494 1.00 1.60 H new ATOM 0 HD2 ARG A 36 3.599 -7.578 -11.569 1.00 2.64 H new ATOM 0 HD3 ARG A 36 4.900 -6.927 -10.593 1.00 2.64 H new ATOM 0 HE ARG A 36 4.416 -9.786 -11.241 1.00 2.82 H new ATOM 0 HH11 ARG A 36 6.495 -7.417 -9.622 1.00 4.86 H new ATOM 0 HH12 ARG A 36 7.810 -8.581 -9.430 1.00 4.86 H new ATOM 0 HH21 ARG A 36 6.146 -11.206 -10.978 1.00 4.75 H new ATOM 0 HH22 ARG A 36 7.619 -10.657 -10.172 1.00 4.75 H new ATOM 538 N THR A 37 3.458 -9.053 -5.237 1.00 0.46 N ATOM 539 CA THR A 37 3.648 -9.662 -3.895 1.00 0.45 C ATOM 540 C THR A 37 3.424 -11.183 -3.970 1.00 0.48 C ATOM 541 O THR A 37 2.673 -11.604 -4.849 1.00 0.51 O ATOM 542 CB THR A 37 2.719 -8.997 -2.856 1.00 0.57 C ATOM 543 OG1 THR A 37 2.732 -9.712 -1.652 1.00 0.72 O ATOM 544 CG2 THR A 37 1.258 -8.959 -3.299 1.00 0.69 C ATOM 0 H THR A 37 3.219 -9.743 -5.950 1.00 0.46 H new ATOM 0 HA THR A 37 4.673 -9.489 -3.568 1.00 0.45 H new ATOM 0 HB THR A 37 3.102 -7.983 -2.742 1.00 0.57 H new ATOM 0 HG1 THR A 37 2.139 -9.275 -1.006 1.00 0.72 H new ATOM 0 HG21 THR A 37 0.656 -8.480 -2.527 1.00 0.69 H new ATOM 0 HG22 THR A 37 1.174 -8.394 -4.227 1.00 0.69 H new ATOM 0 HG23 THR A 37 0.900 -9.976 -3.460 1.00 0.69 H new ATOM 552 N PRO A 38 4.022 -12.019 -3.091 1.00 0.63 N ATOM 553 CA PRO A 38 3.807 -13.469 -3.102 1.00 0.74 C ATOM 554 C PRO A 38 2.571 -13.953 -2.332 1.00 0.78 C ATOM 555 O PRO A 38 2.326 -15.156 -2.305 1.00 1.03 O ATOM 556 CB PRO A 38 5.081 -14.036 -2.491 1.00 0.87 C ATOM 557 CG PRO A 38 5.539 -12.978 -1.499 1.00 0.89 C ATOM 558 CD PRO A 38 5.090 -11.677 -2.155 1.00 0.77 C ATOM 0 HA PRO A 38 3.608 -13.806 -4.119 1.00 0.74 H new ATOM 0 HB2 PRO A 38 4.892 -14.988 -1.995 1.00 0.87 H new ATOM 0 HB3 PRO A 38 5.839 -14.218 -3.253 1.00 0.87 H new ATOM 0 HG2 PRO A 38 5.079 -13.116 -0.520 1.00 0.89 H new ATOM 0 HG3 PRO A 38 6.619 -13.004 -1.351 1.00 0.89 H new ATOM 0 HD2 PRO A 38 4.735 -10.970 -1.406 1.00 0.77 H new ATOM 0 HD3 PRO A 38 5.921 -11.200 -2.675 1.00 0.77 H new ATOM 566 N VAL A 39 1.822 -13.046 -1.696 1.00 0.73 N ATOM 567 CA VAL A 39 0.666 -13.366 -0.830 1.00 0.80 C ATOM 568 C VAL A 39 -0.691 -12.797 -1.289 1.00 0.72 C ATOM 569 O VAL A 39 -1.623 -12.749 -0.496 1.00 0.76 O ATOM 570 CB VAL A 39 0.950 -12.972 0.638 1.00 0.92 C ATOM 571 CG1 VAL A 39 2.135 -13.775 1.184 1.00 1.02 C ATOM 572 CG2 VAL A 39 1.144 -11.459 0.818 1.00 0.92 C ATOM 0 H VAL A 39 2.001 -12.044 -1.766 1.00 0.73 H new ATOM 0 HA VAL A 39 0.557 -14.447 -0.915 1.00 0.80 H new ATOM 0 HB VAL A 39 0.067 -13.226 1.225 1.00 0.92 H new ATOM 0 HG11 VAL A 39 2.324 -13.487 2.218 1.00 1.02 H new ATOM 0 HG12 VAL A 39 1.905 -14.839 1.140 1.00 1.02 H new ATOM 0 HG13 VAL A 39 3.021 -13.570 0.583 1.00 1.02 H new ATOM 0 HG21 VAL A 39 1.340 -11.240 1.868 1.00 0.92 H new ATOM 0 HG22 VAL A 39 1.988 -11.126 0.214 1.00 0.92 H new ATOM 0 HG23 VAL A 39 0.242 -10.936 0.501 1.00 0.92 H new ATOM 582 N ALA A 40 -0.831 -12.404 -2.560 1.00 0.65 N ATOM 583 CA ALA A 40 -2.040 -11.845 -3.192 1.00 0.70 C ATOM 584 C ALA A 40 -1.864 -11.863 -4.716 1.00 0.91 C ATOM 585 O ALA A 40 -0.744 -12.002 -5.212 1.00 0.99 O ATOM 586 CB ALA A 40 -2.274 -10.418 -2.677 1.00 0.72 C ATOM 0 H ALA A 40 -0.056 -12.470 -3.220 1.00 0.65 H new ATOM 0 HA ALA A 40 -2.913 -12.446 -2.936 1.00 0.70 H new ATOM 0 HB1 ALA A 40 -3.168 -10.005 -3.144 1.00 0.72 H new ATOM 0 HB2 ALA A 40 -2.406 -10.439 -1.595 1.00 0.72 H new ATOM 0 HB3 ALA A 40 -1.414 -9.796 -2.925 1.00 0.72 H new ATOM 592 N GLU A 41 -2.973 -11.734 -5.435 1.00 1.19 N ATOM 593 CA GLU A 41 -3.080 -11.880 -6.883 1.00 1.31 C ATOM 594 C GLU A 41 -3.616 -10.559 -7.465 1.00 1.36 C ATOM 595 O GLU A 41 -2.907 -9.747 -8.063 1.00 2.07 O ATOM 596 CB GLU A 41 -4.048 -13.065 -7.119 1.00 1.15 C ATOM 597 CG GLU A 41 -4.150 -13.531 -8.573 1.00 1.42 C ATOM 598 CD GLU A 41 -3.025 -14.518 -8.870 1.00 2.39 C ATOM 599 OE1 GLU A 41 -1.916 -14.062 -9.218 1.00 4.05 O ATOM 600 OE2 GLU A 41 -3.175 -15.718 -8.554 1.00 2.47 O ATOM 0 H GLU A 41 -3.869 -11.513 -5.001 1.00 1.19 H new ATOM 0 HA GLU A 41 -2.127 -12.084 -7.372 1.00 1.31 H new ATOM 0 HB2 GLU A 41 -3.727 -13.906 -6.504 1.00 1.15 H new ATOM 0 HB3 GLU A 41 -5.041 -12.779 -6.773 1.00 1.15 H new ATOM 0 HG2 GLU A 41 -5.117 -14.002 -8.748 1.00 1.42 H new ATOM 0 HG3 GLU A 41 -4.085 -12.676 -9.246 1.00 1.42 H new ATOM 607 N ARG A 42 -4.887 -10.268 -7.179 1.00 1.11 N ATOM 608 CA ARG A 42 -5.542 -9.027 -7.566 1.00 1.47 C ATOM 609 C ARG A 42 -5.209 -7.968 -6.513 1.00 1.41 C ATOM 610 O ARG A 42 -6.042 -7.608 -5.687 1.00 2.30 O ATOM 611 CB ARG A 42 -7.046 -9.282 -7.773 1.00 1.59 C ATOM 612 CG ARG A 42 -7.318 -10.051 -9.085 1.00 1.73 C ATOM 613 CD ARG A 42 -7.925 -9.192 -10.207 1.00 1.77 C ATOM 614 NE ARG A 42 -7.085 -8.039 -10.593 1.00 2.94 N ATOM 615 CZ ARG A 42 -6.227 -7.962 -11.610 1.00 4.02 C ATOM 616 NH1 ARG A 42 -5.875 -9.012 -12.329 1.00 4.42 N ATOM 617 NH2 ARG A 42 -5.719 -6.787 -11.924 1.00 5.65 N ATOM 0 H ARG A 42 -5.496 -10.903 -6.663 1.00 1.11 H new ATOM 0 HA ARG A 42 -5.181 -8.647 -8.522 1.00 1.47 H new ATOM 0 HB2 ARG A 42 -7.439 -9.850 -6.930 1.00 1.59 H new ATOM 0 HB3 ARG A 42 -7.578 -8.331 -7.791 1.00 1.59 H new ATOM 0 HG2 ARG A 42 -6.382 -10.483 -9.440 1.00 1.73 H new ATOM 0 HG3 ARG A 42 -7.992 -10.881 -8.873 1.00 1.73 H new ATOM 0 HD2 ARG A 42 -8.091 -9.819 -11.083 1.00 1.77 H new ATOM 0 HD3 ARG A 42 -8.901 -8.828 -9.886 1.00 1.77 H new ATOM 0 HE ARG A 42 -7.172 -7.204 -10.013 1.00 2.94 H new ATOM 0 HH11 ARG A 42 -6.264 -9.930 -12.115 1.00 4.42 H new ATOM 0 HH12 ARG A 42 -5.214 -8.905 -13.099 1.00 4.42 H new ATOM 0 HH21 ARG A 42 -5.984 -5.958 -11.392 1.00 5.65 H new ATOM 0 HH22 ARG A 42 -5.061 -6.707 -12.699 1.00 5.65 H new ATOM 631 N VAL A 43 -3.975 -7.472 -6.569 1.00 0.68 N ATOM 632 CA VAL A 43 -3.556 -6.259 -5.845 1.00 0.52 C ATOM 633 C VAL A 43 -4.089 -5.016 -6.572 1.00 0.60 C ATOM 634 O VAL A 43 -4.283 -5.034 -7.791 1.00 1.04 O ATOM 635 CB VAL A 43 -2.031 -6.186 -5.624 1.00 0.54 C ATOM 636 CG1 VAL A 43 -1.225 -5.988 -6.918 1.00 0.72 C ATOM 637 CG2 VAL A 43 -1.637 -5.104 -4.604 1.00 0.63 C ATOM 0 H VAL A 43 -3.229 -7.897 -7.119 1.00 0.68 H new ATOM 0 HA VAL A 43 -3.990 -6.300 -4.846 1.00 0.52 H new ATOM 0 HB VAL A 43 -1.771 -7.165 -5.222 1.00 0.54 H new ATOM 0 HG11 VAL A 43 -0.162 -5.946 -6.682 1.00 0.72 H new ATOM 0 HG12 VAL A 43 -1.414 -6.821 -7.595 1.00 0.72 H new ATOM 0 HG13 VAL A 43 -1.527 -5.056 -7.396 1.00 0.72 H new ATOM 0 HG21 VAL A 43 -0.554 -5.094 -4.485 1.00 0.63 H new ATOM 0 HG22 VAL A 43 -1.972 -4.130 -4.959 1.00 0.63 H new ATOM 0 HG23 VAL A 43 -2.106 -5.321 -3.644 1.00 0.63 H new ATOM 647 N GLU A 44 -4.376 -3.967 -5.804 1.00 0.47 N ATOM 648 CA GLU A 44 -5.183 -2.808 -6.186 1.00 0.46 C ATOM 649 C GLU A 44 -4.784 -1.620 -5.289 1.00 0.44 C ATOM 650 O GLU A 44 -4.279 -1.839 -4.187 1.00 0.55 O ATOM 651 CB GLU A 44 -6.668 -3.206 -6.039 1.00 0.65 C ATOM 652 CG GLU A 44 -7.521 -2.909 -7.273 1.00 1.15 C ATOM 653 CD GLU A 44 -8.135 -1.528 -7.135 1.00 2.65 C ATOM 654 OE1 GLU A 44 -7.361 -0.552 -7.228 1.00 4.09 O ATOM 655 OE2 GLU A 44 -9.346 -1.481 -6.827 1.00 3.26 O ATOM 0 H GLU A 44 -4.033 -3.898 -4.846 1.00 0.47 H new ATOM 0 HA GLU A 44 -5.017 -2.501 -7.219 1.00 0.46 H new ATOM 0 HB2 GLU A 44 -6.727 -4.272 -5.818 1.00 0.65 H new ATOM 0 HB3 GLU A 44 -7.091 -2.679 -5.183 1.00 0.65 H new ATOM 0 HG2 GLU A 44 -6.909 -2.960 -8.174 1.00 1.15 H new ATOM 0 HG3 GLU A 44 -8.304 -3.660 -7.377 1.00 1.15 H new ATOM 662 N LEU A 45 -4.961 -0.373 -5.733 1.00 0.66 N ATOM 663 CA LEU A 45 -4.381 0.812 -5.083 1.00 0.53 C ATOM 664 C LEU A 45 -5.476 1.793 -4.662 1.00 0.51 C ATOM 665 O LEU A 45 -6.074 2.474 -5.495 1.00 0.65 O ATOM 666 CB LEU A 45 -3.363 1.453 -6.047 1.00 0.66 C ATOM 667 CG LEU A 45 -2.728 2.756 -5.520 1.00 0.47 C ATOM 668 CD1 LEU A 45 -1.829 2.551 -4.293 1.00 0.65 C ATOM 669 CD2 LEU A 45 -1.893 3.391 -6.635 1.00 0.83 C ATOM 0 H LEU A 45 -5.515 -0.152 -6.560 1.00 0.66 H new ATOM 0 HA LEU A 45 -3.862 0.522 -4.170 1.00 0.53 H new ATOM 0 HB2 LEU A 45 -2.571 0.733 -6.252 1.00 0.66 H new ATOM 0 HB3 LEU A 45 -3.859 1.661 -6.995 1.00 0.66 H new ATOM 0 HG LEU A 45 -3.551 3.401 -5.211 1.00 0.47 H new ATOM 0 HD11 LEU A 45 -1.418 3.510 -3.979 1.00 0.65 H new ATOM 0 HD12 LEU A 45 -2.415 2.124 -3.480 1.00 0.65 H new ATOM 0 HD13 LEU A 45 -1.014 1.873 -4.548 1.00 0.65 H new ATOM 0 HD21 LEU A 45 -1.440 4.313 -6.270 1.00 0.83 H new ATOM 0 HD22 LEU A 45 -1.109 2.699 -6.942 1.00 0.83 H new ATOM 0 HD23 LEU A 45 -2.534 3.614 -7.488 1.00 0.83 H new ATOM 681 N HIS A 46 -5.725 1.889 -3.357 1.00 0.48 N ATOM 682 CA HIS A 46 -6.850 2.631 -2.791 1.00 0.47 C ATOM 683 C HIS A 46 -6.462 3.831 -1.922 1.00 0.52 C ATOM 684 O HIS A 46 -5.463 3.824 -1.193 1.00 0.67 O ATOM 685 CB HIS A 46 -7.704 1.682 -1.940 1.00 0.46 C ATOM 686 CG HIS A 46 -8.454 0.602 -2.663 1.00 0.46 C ATOM 687 ND1 HIS A 46 -9.193 -0.383 -2.029 1.00 0.51 N ATOM 688 CD2 HIS A 46 -8.502 0.344 -4.001 1.00 0.46 C ATOM 689 CE1 HIS A 46 -9.647 -1.213 -2.964 1.00 0.55 C ATOM 690 NE2 HIS A 46 -9.277 -0.776 -4.176 1.00 0.54 N ATOM 0 H HIS A 46 -5.139 1.445 -2.650 1.00 0.48 H new ATOM 0 HA HIS A 46 -7.394 3.030 -3.647 1.00 0.47 H new ATOM 0 HB2 HIS A 46 -7.053 1.208 -1.206 1.00 0.46 H new ATOM 0 HB3 HIS A 46 -8.426 2.282 -1.386 1.00 0.46 H new ATOM 0 HD2 HIS A 46 -8.019 0.915 -4.780 1.00 0.46 H new ATOM 0 HE1 HIS A 46 -10.226 -2.105 -2.775 1.00 0.55 H new ATOM 0 HE2 HIS A 46 -9.527 -1.200 -5.069 1.00 0.54 H new ATOM 698 N GLU A 47 -7.362 4.809 -1.941 1.00 0.46 N ATOM 699 CA GLU A 47 -7.465 5.915 -0.998 1.00 0.52 C ATOM 700 C GLU A 47 -8.672 5.721 -0.062 1.00 0.72 C ATOM 701 O GLU A 47 -9.628 5.010 -0.399 1.00 1.00 O ATOM 702 CB GLU A 47 -7.463 7.246 -1.769 1.00 0.41 C ATOM 703 CG GLU A 47 -8.602 7.519 -2.769 1.00 0.72 C ATOM 704 CD GLU A 47 -9.767 8.360 -2.249 1.00 0.95 C ATOM 705 OE1 GLU A 47 -9.565 9.308 -1.467 1.00 2.12 O ATOM 706 OE2 GLU A 47 -10.900 8.125 -2.722 1.00 2.04 O ATOM 0 H GLU A 47 -8.083 4.852 -2.661 1.00 0.46 H new ATOM 0 HA GLU A 47 -6.597 5.939 -0.339 1.00 0.52 H new ATOM 0 HB2 GLU A 47 -7.465 8.053 -1.036 1.00 0.41 H new ATOM 0 HB3 GLU A 47 -6.521 7.312 -2.314 1.00 0.41 H new ATOM 0 HG2 GLU A 47 -8.180 8.019 -3.641 1.00 0.72 H new ATOM 0 HG3 GLU A 47 -8.996 6.562 -3.110 1.00 0.72 H new ATOM 713 N THR A 48 -8.586 6.307 1.139 1.00 0.67 N ATOM 714 CA THR A 48 -9.565 6.217 2.231 1.00 0.64 C ATOM 715 C THR A 48 -9.828 7.645 2.714 1.00 0.66 C ATOM 716 O THR A 48 -8.879 8.387 2.967 1.00 0.80 O ATOM 717 CB THR A 48 -9.012 5.413 3.416 1.00 0.68 C ATOM 718 OG1 THR A 48 -8.277 4.258 3.059 1.00 0.70 O ATOM 719 CG2 THR A 48 -10.128 4.968 4.361 1.00 0.94 C ATOM 0 H THR A 48 -7.787 6.889 1.389 1.00 0.67 H new ATOM 0 HA THR A 48 -10.465 5.721 1.868 1.00 0.64 H new ATOM 0 HB THR A 48 -8.330 6.111 3.901 1.00 0.68 H new ATOM 0 HG1 THR A 48 -7.533 4.137 3.686 1.00 0.70 H new ATOM 0 HG21 THR A 48 -9.700 4.402 5.188 1.00 0.94 H new ATOM 0 HG22 THR A 48 -10.646 5.844 4.751 1.00 0.94 H new ATOM 0 HG23 THR A 48 -10.835 4.340 3.819 1.00 0.94 H new ATOM 727 N PHE A 49 -11.092 8.028 2.894 1.00 0.67 N ATOM 728 CA PHE A 49 -11.488 9.427 3.085 1.00 0.68 C ATOM 729 C PHE A 49 -12.658 9.608 4.063 1.00 0.71 C ATOM 730 O PHE A 49 -13.312 8.656 4.479 1.00 0.76 O ATOM 731 CB PHE A 49 -11.836 10.025 1.710 1.00 0.68 C ATOM 732 CG PHE A 49 -12.907 9.261 0.951 1.00 0.58 C ATOM 733 CD1 PHE A 49 -14.274 9.472 1.208 1.00 1.95 C ATOM 734 CD2 PHE A 49 -12.526 8.308 -0.005 1.00 1.79 C ATOM 735 CE1 PHE A 49 -15.249 8.752 0.497 1.00 1.82 C ATOM 736 CE2 PHE A 49 -13.497 7.604 -0.725 1.00 1.99 C ATOM 737 CZ PHE A 49 -14.864 7.835 -0.494 1.00 0.77 C ATOM 0 H PHE A 49 -11.875 7.375 2.912 1.00 0.67 H new ATOM 0 HA PHE A 49 -10.647 9.952 3.538 1.00 0.68 H new ATOM 0 HB2 PHE A 49 -12.168 11.054 1.848 1.00 0.68 H new ATOM 0 HB3 PHE A 49 -10.932 10.061 1.103 1.00 0.68 H new ATOM 0 HD1 PHE A 49 -14.576 10.191 1.955 1.00 1.95 H new ATOM 0 HD2 PHE A 49 -11.479 8.117 -0.186 1.00 1.79 H new ATOM 0 HE1 PHE A 49 -16.296 8.904 0.713 1.00 1.82 H new ATOM 0 HE2 PHE A 49 -13.194 6.877 -1.464 1.00 1.99 H new ATOM 0 HZ PHE A 49 -15.611 7.312 -1.073 1.00 0.77 H new ATOM 747 N MET A 50 -12.947 10.872 4.390 1.00 0.76 N ATOM 748 CA MET A 50 -14.153 11.317 5.085 1.00 0.83 C ATOM 749 C MET A 50 -15.168 11.870 4.070 1.00 0.75 C ATOM 750 O MET A 50 -14.789 12.438 3.048 1.00 0.73 O ATOM 751 CB MET A 50 -13.745 12.360 6.136 1.00 1.02 C ATOM 752 CG MET A 50 -14.957 12.811 6.946 1.00 2.49 C ATOM 753 SD MET A 50 -14.578 13.812 8.404 1.00 2.91 S ATOM 754 CE MET A 50 -14.265 15.408 7.608 1.00 3.77 C ATOM 0 H MET A 50 -12.318 11.643 4.167 1.00 0.76 H new ATOM 0 HA MET A 50 -14.641 10.486 5.595 1.00 0.83 H new ATOM 0 HB2 MET A 50 -12.993 11.937 6.802 1.00 1.02 H new ATOM 0 HB3 MET A 50 -13.289 13.220 5.645 1.00 1.02 H new ATOM 0 HG2 MET A 50 -15.618 13.383 6.294 1.00 2.49 H new ATOM 0 HG3 MET A 50 -15.510 11.928 7.265 1.00 2.49 H new ATOM 0 HE1 MET A 50 -14.014 16.150 8.366 1.00 3.77 H new ATOM 0 HE2 MET A 50 -13.435 15.309 6.909 1.00 3.77 H new ATOM 0 HE3 MET A 50 -15.157 15.727 7.069 1.00 3.77 H new ATOM 764 N ARG A 51 -16.462 11.692 4.345 1.00 0.84 N ATOM 765 CA ARG A 51 -17.584 12.029 3.460 1.00 0.96 C ATOM 766 C ARG A 51 -18.827 12.349 4.296 1.00 1.22 C ATOM 767 O ARG A 51 -18.933 11.926 5.445 1.00 1.13 O ATOM 768 CB ARG A 51 -17.832 10.843 2.503 1.00 1.00 C ATOM 769 CG ARG A 51 -18.209 11.229 1.060 1.00 1.76 C ATOM 770 CD ARG A 51 -19.703 11.054 0.770 1.00 2.09 C ATOM 771 NE ARG A 51 -20.039 11.530 -0.583 1.00 3.35 N ATOM 772 CZ ARG A 51 -21.228 11.957 -1.009 1.00 4.23 C ATOM 773 NH1 ARG A 51 -22.256 12.126 -0.209 1.00 4.29 N ATOM 774 NH2 ARG A 51 -21.409 12.236 -2.285 1.00 5.55 N ATOM 0 H ARG A 51 -16.772 11.291 5.230 1.00 0.84 H new ATOM 0 HA ARG A 51 -17.351 12.913 2.867 1.00 0.96 H new ATOM 0 HB2 ARG A 51 -16.933 10.227 2.474 1.00 1.00 H new ATOM 0 HB3 ARG A 51 -18.629 10.225 2.916 1.00 1.00 H new ATOM 0 HG2 ARG A 51 -17.928 12.267 0.881 1.00 1.76 H new ATOM 0 HG3 ARG A 51 -17.634 10.619 0.363 1.00 1.76 H new ATOM 0 HD2 ARG A 51 -19.975 10.003 0.867 1.00 2.09 H new ATOM 0 HD3 ARG A 51 -20.287 11.604 1.508 1.00 2.09 H new ATOM 0 HE ARG A 51 -19.282 11.533 -1.266 1.00 3.35 H new ATOM 0 HH11 ARG A 51 -22.165 11.928 0.787 1.00 4.29 H new ATOM 0 HH12 ARG A 51 -23.146 12.455 -0.584 1.00 4.29 H new ATOM 0 HH21 ARG A 51 -20.640 12.125 -2.945 1.00 5.55 H new ATOM 0 HH22 ARG A 51 -22.318 12.563 -2.612 1.00 5.55 H new ATOM 788 N GLU A 52 -19.779 13.080 3.729 1.00 1.60 N ATOM 789 CA GLU A 52 -21.018 13.488 4.354 1.00 1.62 C ATOM 790 C GLU A 52 -22.192 12.743 3.714 1.00 1.71 C ATOM 791 O GLU A 52 -22.214 12.585 2.494 1.00 1.98 O ATOM 792 CB GLU A 52 -21.150 14.980 4.044 1.00 2.00 C ATOM 793 CG GLU A 52 -22.252 15.636 4.853 1.00 2.22 C ATOM 794 CD GLU A 52 -21.724 16.004 6.227 1.00 2.23 C ATOM 795 OE1 GLU A 52 -21.791 15.129 7.104 1.00 2.53 O ATOM 796 OE2 GLU A 52 -21.223 17.121 6.449 1.00 2.90 O ATOM 0 H GLU A 52 -19.697 13.419 2.770 1.00 1.60 H new ATOM 0 HA GLU A 52 -21.021 13.278 5.424 1.00 1.62 H new ATOM 0 HB2 GLU A 52 -20.203 15.478 4.252 1.00 2.00 H new ATOM 0 HB3 GLU A 52 -21.353 15.112 2.981 1.00 2.00 H new ATOM 0 HG2 GLU A 52 -22.612 16.528 4.340 1.00 2.22 H new ATOM 0 HG3 GLU A 52 -23.100 14.958 4.948 1.00 2.22 H new ATOM 803 N VAL A 53 -23.202 12.366 4.488 1.00 1.64 N ATOM 804 CA VAL A 53 -24.522 11.964 3.972 1.00 1.84 C ATOM 805 C VAL A 53 -25.540 12.141 5.096 1.00 1.82 C ATOM 806 O VAL A 53 -25.196 11.887 6.243 1.00 1.88 O ATOM 807 CB VAL A 53 -24.509 10.531 3.378 1.00 2.03 C ATOM 808 CG1 VAL A 53 -23.932 9.480 4.340 1.00 2.22 C ATOM 809 CG2 VAL A 53 -25.899 10.109 2.878 1.00 3.71 C ATOM 0 H VAL A 53 -23.136 12.327 5.505 1.00 1.64 H new ATOM 0 HA VAL A 53 -24.805 12.601 3.134 1.00 1.84 H new ATOM 0 HB VAL A 53 -23.835 10.574 2.522 1.00 2.03 H new ATOM 0 HG11 VAL A 53 -23.952 8.500 3.863 1.00 2.22 H new ATOM 0 HG12 VAL A 53 -22.904 9.741 4.590 1.00 2.22 H new ATOM 0 HG13 VAL A 53 -24.531 9.452 5.250 1.00 2.22 H new ATOM 0 HG21 VAL A 53 -25.848 9.100 2.469 1.00 3.71 H new ATOM 0 HG22 VAL A 53 -26.606 10.129 3.708 1.00 3.71 H new ATOM 0 HG23 VAL A 53 -26.231 10.798 2.102 1.00 3.71 H new ATOM 819 N GLU A 54 -26.735 12.666 4.789 1.00 2.21 N ATOM 820 CA GLU A 54 -27.775 12.987 5.789 1.00 2.25 C ATOM 821 C GLU A 54 -27.306 14.106 6.764 1.00 2.11 C ATOM 822 O GLU A 54 -27.729 14.165 7.913 1.00 2.04 O ATOM 823 CB GLU A 54 -28.211 11.683 6.499 1.00 2.20 C ATOM 824 CG GLU A 54 -29.597 11.698 7.167 1.00 2.72 C ATOM 825 CD GLU A 54 -29.706 10.593 8.222 1.00 3.21 C ATOM 826 OE1 GLU A 54 -29.192 9.473 7.999 1.00 3.57 O ATOM 827 OE2 GLU A 54 -30.139 10.874 9.361 1.00 4.01 O ATOM 0 H GLU A 54 -27.014 12.883 3.832 1.00 2.21 H new ATOM 0 HA GLU A 54 -28.653 13.401 5.293 1.00 2.25 H new ATOM 0 HB2 GLU A 54 -28.192 10.874 5.769 1.00 2.20 H new ATOM 0 HB3 GLU A 54 -27.468 11.443 7.259 1.00 2.20 H new ATOM 0 HG2 GLU A 54 -29.771 12.669 7.632 1.00 2.72 H new ATOM 0 HG3 GLU A 54 -30.371 11.563 6.411 1.00 2.72 H new ATOM 834 N GLY A 55 -26.362 14.969 6.339 1.00 2.23 N ATOM 835 CA GLY A 55 -25.719 15.988 7.198 1.00 2.32 C ATOM 836 C GLY A 55 -24.718 15.407 8.209 1.00 2.04 C ATOM 837 O GLY A 55 -24.251 16.102 9.117 1.00 2.27 O ATOM 0 H GLY A 55 -26.019 14.980 5.378 1.00 2.23 H new ATOM 0 HA2 GLY A 55 -25.203 16.710 6.565 1.00 2.32 H new ATOM 0 HA3 GLY A 55 -26.492 16.533 7.739 1.00 2.32 H new ATOM 841 N LYS A 56 -24.385 14.126 8.055 1.00 1.70 N ATOM 842 CA LYS A 56 -23.685 13.282 9.020 1.00 1.53 C ATOM 843 C LYS A 56 -22.414 12.710 8.376 1.00 1.38 C ATOM 844 O LYS A 56 -22.430 12.050 7.330 1.00 1.35 O ATOM 845 CB LYS A 56 -24.633 12.175 9.533 1.00 1.49 C ATOM 846 CG LYS A 56 -25.757 12.714 10.442 1.00 1.62 C ATOM 847 CD LYS A 56 -27.042 11.873 10.382 1.00 2.04 C ATOM 848 CE LYS A 56 -26.847 10.403 10.783 1.00 2.09 C ATOM 849 NZ LYS A 56 -28.049 9.596 10.456 1.00 2.65 N ATOM 0 H LYS A 56 -24.611 13.619 7.199 1.00 1.70 H new ATOM 0 HA LYS A 56 -23.379 13.872 9.884 1.00 1.53 H new ATOM 0 HB2 LYS A 56 -25.078 11.662 8.680 1.00 1.49 H new ATOM 0 HB3 LYS A 56 -24.053 11.434 10.083 1.00 1.49 H new ATOM 0 HG2 LYS A 56 -25.399 12.745 11.471 1.00 1.62 H new ATOM 0 HG3 LYS A 56 -25.988 13.739 10.153 1.00 1.62 H new ATOM 0 HD2 LYS A 56 -27.788 12.322 11.038 1.00 2.04 H new ATOM 0 HD3 LYS A 56 -27.443 11.912 9.369 1.00 2.04 H new ATOM 0 HE2 LYS A 56 -25.979 9.994 10.266 1.00 2.09 H new ATOM 0 HE3 LYS A 56 -26.641 10.338 11.852 1.00 2.09 H new ATOM 0 HZ1 LYS A 56 -28.125 8.801 11.122 1.00 2.65 H new ATOM 0 HZ2 LYS A 56 -28.898 10.192 10.530 1.00 2.65 H new ATOM 0 HZ3 LYS A 56 -27.967 9.228 9.487 1.00 2.65 H new ATOM 863 N LYS A 57 -21.284 13.018 9.013 1.00 1.45 N ATOM 864 CA LYS A 57 -19.953 12.626 8.590 1.00 1.38 C ATOM 865 C LYS A 57 -19.722 11.128 8.824 1.00 1.32 C ATOM 866 O LYS A 57 -19.994 10.605 9.902 1.00 1.51 O ATOM 867 CB LYS A 57 -18.930 13.506 9.333 1.00 1.53 C ATOM 868 CG LYS A 57 -18.795 14.904 8.695 1.00 2.89 C ATOM 869 CD LYS A 57 -18.889 16.107 9.655 1.00 2.91 C ATOM 870 CE LYS A 57 -20.294 16.403 10.209 1.00 3.17 C ATOM 871 NZ LYS A 57 -21.251 16.819 9.153 1.00 3.74 N ATOM 0 H LYS A 57 -21.278 13.569 9.871 1.00 1.45 H new ATOM 0 HA LYS A 57 -19.834 12.783 7.518 1.00 1.38 H new ATOM 0 HB2 LYS A 57 -19.232 13.611 10.375 1.00 1.53 H new ATOM 0 HB3 LYS A 57 -17.958 13.012 9.331 1.00 1.53 H new ATOM 0 HG2 LYS A 57 -17.836 14.953 8.179 1.00 2.89 H new ATOM 0 HG3 LYS A 57 -19.571 15.010 7.937 1.00 2.89 H new ATOM 0 HD2 LYS A 57 -18.215 15.934 10.494 1.00 2.91 H new ATOM 0 HD3 LYS A 57 -18.528 16.994 9.135 1.00 2.91 H new ATOM 0 HE2 LYS A 57 -20.677 15.514 10.711 1.00 3.17 H new ATOM 0 HE3 LYS A 57 -20.225 17.189 10.961 1.00 3.17 H new ATOM 0 HZ1 LYS A 57 -22.017 17.379 9.579 1.00 3.74 H new ATOM 0 HZ2 LYS A 57 -20.755 17.394 8.443 1.00 3.74 H new ATOM 0 HZ3 LYS A 57 -21.652 15.975 8.696 1.00 3.74 H new ATOM 885 N VAL A 58 -19.209 10.477 7.795 1.00 1.14 N ATOM 886 CA VAL A 58 -18.870 9.061 7.677 1.00 1.11 C ATOM 887 C VAL A 58 -17.539 8.917 6.925 1.00 0.98 C ATOM 888 O VAL A 58 -16.952 9.920 6.518 1.00 1.07 O ATOM 889 CB VAL A 58 -19.997 8.316 6.924 1.00 1.18 C ATOM 890 CG1 VAL A 58 -21.293 8.239 7.746 1.00 2.29 C ATOM 891 CG2 VAL A 58 -20.293 8.901 5.532 1.00 2.70 C ATOM 0 H VAL A 58 -18.996 10.974 6.930 1.00 1.14 H new ATOM 0 HA VAL A 58 -18.766 8.624 8.670 1.00 1.11 H new ATOM 0 HB VAL A 58 -19.615 7.306 6.778 1.00 1.18 H new ATOM 0 HG11 VAL A 58 -22.055 7.707 7.176 1.00 2.29 H new ATOM 0 HG12 VAL A 58 -21.101 7.708 8.679 1.00 2.29 H new ATOM 0 HG13 VAL A 58 -21.644 9.247 7.968 1.00 2.29 H new ATOM 0 HG21 VAL A 58 -21.093 8.331 5.060 1.00 2.70 H new ATOM 0 HG22 VAL A 58 -20.600 9.942 5.633 1.00 2.70 H new ATOM 0 HG23 VAL A 58 -19.396 8.845 4.916 1.00 2.70 H new ATOM 901 N MET A 59 -17.068 7.687 6.710 1.00 1.04 N ATOM 902 CA MET A 59 -15.850 7.402 5.942 1.00 0.89 C ATOM 903 C MET A 59 -16.114 6.469 4.763 1.00 0.80 C ATOM 904 O MET A 59 -17.151 5.807 4.701 1.00 0.88 O ATOM 905 CB MET A 59 -14.752 6.822 6.838 1.00 0.95 C ATOM 906 CG MET A 59 -14.287 7.819 7.912 1.00 1.11 C ATOM 907 SD MET A 59 -15.297 7.889 9.417 1.00 3.04 S ATOM 908 CE MET A 59 -15.310 9.681 9.697 1.00 3.93 C ATOM 0 H MET A 59 -17.526 6.849 7.068 1.00 1.04 H new ATOM 0 HA MET A 59 -15.508 8.355 5.539 1.00 0.89 H new ATOM 0 HB2 MET A 59 -15.121 5.917 7.321 1.00 0.95 H new ATOM 0 HB3 MET A 59 -13.901 6.531 6.223 1.00 0.95 H new ATOM 0 HG2 MET A 59 -13.265 7.568 8.195 1.00 1.11 H new ATOM 0 HG3 MET A 59 -14.260 8.815 7.469 1.00 1.11 H new ATOM 0 HE1 MET A 59 -15.892 9.905 10.591 1.00 3.93 H new ATOM 0 HE2 MET A 59 -14.288 10.036 9.831 1.00 3.93 H new ATOM 0 HE3 MET A 59 -15.758 10.180 8.838 1.00 3.93 H new ATOM 918 N GLY A 60 -15.174 6.448 3.818 1.00 0.72 N ATOM 919 CA GLY A 60 -15.258 5.674 2.586 1.00 0.73 C ATOM 920 C GLY A 60 -13.895 5.355 1.979 1.00 0.67 C ATOM 921 O GLY A 60 -12.862 5.721 2.532 1.00 0.65 O ATOM 0 H GLY A 60 -14.310 6.985 3.894 1.00 0.72 H new ATOM 0 HA2 GLY A 60 -15.786 4.742 2.786 1.00 0.73 H new ATOM 0 HA3 GLY A 60 -15.852 6.226 1.858 1.00 0.73 H new ATOM 925 N MET A 61 -13.908 4.656 0.845 1.00 0.69 N ATOM 926 CA MET A 61 -12.725 4.151 0.153 1.00 0.62 C ATOM 927 C MET A 61 -13.011 3.969 -1.334 1.00 0.58 C ATOM 928 O MET A 61 -14.120 3.597 -1.714 1.00 0.66 O ATOM 929 CB MET A 61 -12.326 2.837 0.844 1.00 0.68 C ATOM 930 CG MET A 61 -11.275 1.986 0.123 1.00 0.64 C ATOM 931 SD MET A 61 -11.247 0.221 0.595 1.00 0.59 S ATOM 932 CE MET A 61 -11.492 0.312 2.384 1.00 1.10 C ATOM 0 H MET A 61 -14.776 4.417 0.366 1.00 0.69 H new ATOM 0 HA MET A 61 -11.896 4.857 0.211 1.00 0.62 H new ATOM 0 HB2 MET A 61 -11.951 3.074 1.840 1.00 0.68 H new ATOM 0 HB3 MET A 61 -13.224 2.233 0.977 1.00 0.68 H new ATOM 0 HG2 MET A 61 -11.448 2.056 -0.951 1.00 0.64 H new ATOM 0 HG3 MET A 61 -10.291 2.413 0.315 1.00 0.64 H new ATOM 0 HE1 MET A 61 -11.303 -0.666 2.827 1.00 1.10 H new ATOM 0 HE2 MET A 61 -10.804 1.043 2.809 1.00 1.10 H new ATOM 0 HE3 MET A 61 -12.518 0.614 2.596 1.00 1.10 H new ATOM 942 N ARG A 62 -12.002 4.239 -2.165 1.00 0.51 N ATOM 943 CA ARG A 62 -12.035 4.133 -3.631 1.00 0.47 C ATOM 944 C ARG A 62 -10.641 3.758 -4.160 1.00 0.37 C ATOM 945 O ARG A 62 -9.660 3.955 -3.439 1.00 0.39 O ATOM 946 CB ARG A 62 -12.420 5.495 -4.227 1.00 0.57 C ATOM 947 CG ARG A 62 -13.884 5.914 -4.031 1.00 1.61 C ATOM 948 CD ARG A 62 -14.164 7.294 -4.657 1.00 1.66 C ATOM 949 NE ARG A 62 -13.278 8.332 -4.099 1.00 2.50 N ATOM 950 CZ ARG A 62 -13.140 9.603 -4.437 1.00 3.49 C ATOM 951 NH1 ARG A 62 -13.914 10.185 -5.332 1.00 3.75 N ATOM 952 NH2 ARG A 62 -12.170 10.282 -3.871 1.00 4.40 N ATOM 0 H ARG A 62 -11.095 4.553 -1.820 1.00 0.51 H new ATOM 0 HA ARG A 62 -12.760 3.369 -3.914 1.00 0.47 H new ATOM 0 HB2 ARG A 62 -11.780 6.259 -3.786 1.00 0.57 H new ATOM 0 HB3 ARG A 62 -12.205 5.478 -5.296 1.00 0.57 H new ATOM 0 HG2 ARG A 62 -14.540 5.169 -4.481 1.00 1.61 H new ATOM 0 HG3 ARG A 62 -14.116 5.942 -2.966 1.00 1.61 H new ATOM 0 HD2 ARG A 62 -14.026 7.239 -5.737 1.00 1.66 H new ATOM 0 HD3 ARG A 62 -15.204 7.570 -4.482 1.00 1.66 H new ATOM 0 HE ARG A 62 -12.679 8.022 -3.334 1.00 2.50 H new ATOM 0 HH11 ARG A 62 -14.652 9.652 -5.792 1.00 3.75 H new ATOM 0 HH12 ARG A 62 -13.775 11.168 -5.565 1.00 3.75 H new ATOM 0 HH21 ARG A 62 -11.555 9.827 -3.197 1.00 4.40 H new ATOM 0 HH22 ARG A 62 -12.031 11.265 -4.106 1.00 4.40 H new ATOM 966 N PRO A 63 -10.524 3.254 -5.401 1.00 0.40 N ATOM 967 CA PRO A 63 -9.240 3.106 -6.058 1.00 0.43 C ATOM 968 C PRO A 63 -8.735 4.432 -6.633 1.00 0.46 C ATOM 969 O PRO A 63 -9.512 5.363 -6.848 1.00 0.50 O ATOM 970 CB PRO A 63 -9.473 2.062 -7.140 1.00 0.49 C ATOM 971 CG PRO A 63 -10.909 2.349 -7.576 1.00 0.53 C ATOM 972 CD PRO A 63 -11.586 2.744 -6.260 1.00 0.49 C ATOM 0 HA PRO A 63 -8.461 2.796 -5.362 1.00 0.43 H new ATOM 0 HB2 PRO A 63 -8.769 2.170 -7.966 1.00 0.49 H new ATOM 0 HB3 PRO A 63 -9.361 1.048 -6.756 1.00 0.49 H new ATOM 0 HG2 PRO A 63 -10.956 3.151 -8.313 1.00 0.53 H new ATOM 0 HG3 PRO A 63 -11.378 1.474 -8.027 1.00 0.53 H new ATOM 0 HD2 PRO A 63 -12.351 3.502 -6.427 1.00 0.49 H new ATOM 0 HD3 PRO A 63 -12.081 1.887 -5.803 1.00 0.49 H new ATOM 980 N VAL A 64 -7.430 4.482 -6.902 1.00 0.45 N ATOM 981 CA VAL A 64 -6.704 5.596 -7.540 1.00 0.41 C ATOM 982 C VAL A 64 -5.634 5.060 -8.514 1.00 0.40 C ATOM 983 O VAL A 64 -5.191 3.922 -8.352 1.00 0.42 O ATOM 984 CB VAL A 64 -6.064 6.558 -6.501 1.00 0.44 C ATOM 985 CG1 VAL A 64 -7.017 7.728 -6.212 1.00 1.02 C ATOM 986 CG2 VAL A 64 -5.641 5.893 -5.181 1.00 0.89 C ATOM 0 H VAL A 64 -6.811 3.706 -6.670 1.00 0.45 H new ATOM 0 HA VAL A 64 -7.437 6.174 -8.102 1.00 0.41 H new ATOM 0 HB VAL A 64 -5.142 6.912 -6.962 1.00 0.44 H new ATOM 0 HG11 VAL A 64 -6.561 8.397 -5.483 1.00 1.02 H new ATOM 0 HG12 VAL A 64 -7.212 8.275 -7.134 1.00 1.02 H new ATOM 0 HG13 VAL A 64 -7.956 7.343 -5.813 1.00 1.02 H new ATOM 0 HG21 VAL A 64 -5.205 6.642 -4.520 1.00 0.89 H new ATOM 0 HG22 VAL A 64 -6.513 5.449 -4.702 1.00 0.89 H new ATOM 0 HG23 VAL A 64 -4.904 5.116 -5.385 1.00 0.89 H new ATOM 996 N PRO A 65 -5.229 5.839 -9.542 1.00 0.41 N ATOM 997 CA PRO A 65 -4.458 5.344 -10.685 1.00 0.42 C ATOM 998 C PRO A 65 -2.960 5.211 -10.401 1.00 0.39 C ATOM 999 O PRO A 65 -2.285 4.477 -11.116 1.00 0.41 O ATOM 1000 CB PRO A 65 -4.729 6.350 -11.805 1.00 0.47 C ATOM 1001 CG PRO A 65 -4.900 7.669 -11.053 1.00 0.47 C ATOM 1002 CD PRO A 65 -5.584 7.236 -9.758 1.00 0.44 C ATOM 0 HA PRO A 65 -4.765 4.331 -10.945 1.00 0.42 H new ATOM 0 HB2 PRO A 65 -3.903 6.395 -12.515 1.00 0.47 H new ATOM 0 HB3 PRO A 65 -5.623 6.091 -12.372 1.00 0.47 H new ATOM 0 HG2 PRO A 65 -3.942 8.152 -10.862 1.00 0.47 H new ATOM 0 HG3 PRO A 65 -5.509 8.378 -11.614 1.00 0.47 H new ATOM 0 HD2 PRO A 65 -5.254 7.853 -8.922 1.00 0.44 H new ATOM 0 HD3 PRO A 65 -6.665 7.353 -9.834 1.00 0.44 H new ATOM 1010 N PHE A 66 -2.457 5.912 -9.380 1.00 0.38 N ATOM 1011 CA PHE A 66 -1.057 5.924 -8.936 1.00 0.38 C ATOM 1012 C PHE A 66 -0.874 6.821 -7.703 1.00 0.41 C ATOM 1013 O PHE A 66 -1.692 7.702 -7.432 1.00 0.43 O ATOM 1014 CB PHE A 66 -0.093 6.365 -10.054 1.00 0.43 C ATOM 1015 CG PHE A 66 -0.298 7.784 -10.527 1.00 0.51 C ATOM 1016 CD1 PHE A 66 0.383 8.831 -9.887 1.00 1.91 C ATOM 1017 CD2 PHE A 66 -1.206 8.063 -11.564 1.00 1.44 C ATOM 1018 CE1 PHE A 66 0.149 10.163 -10.254 1.00 1.98 C ATOM 1019 CE2 PHE A 66 -1.420 9.398 -11.959 1.00 1.43 C ATOM 1020 CZ PHE A 66 -0.748 10.448 -11.300 1.00 0.68 C ATOM 0 H PHE A 66 -3.046 6.519 -8.810 1.00 0.38 H new ATOM 0 HA PHE A 66 -0.809 4.897 -8.668 1.00 0.38 H new ATOM 0 HB2 PHE A 66 0.931 6.258 -9.698 1.00 0.43 H new ATOM 0 HB3 PHE A 66 -0.207 5.691 -10.903 1.00 0.43 H new ATOM 0 HD1 PHE A 66 1.094 8.608 -9.105 1.00 1.91 H new ATOM 0 HD2 PHE A 66 -1.735 7.259 -12.054 1.00 1.44 H new ATOM 0 HE1 PHE A 66 0.654 10.966 -9.737 1.00 1.98 H new ATOM 0 HE2 PHE A 66 -2.100 9.618 -12.768 1.00 1.43 H new ATOM 0 HZ PHE A 66 -0.922 11.471 -11.598 1.00 0.68 H new ATOM 1030 N LEU A 67 0.260 6.647 -7.018 1.00 0.47 N ATOM 1031 CA LEU A 67 0.844 7.627 -6.099 1.00 0.52 C ATOM 1032 C LEU A 67 2.137 8.189 -6.693 1.00 0.61 C ATOM 1033 O LEU A 67 2.792 7.533 -7.502 1.00 0.62 O ATOM 1034 CB LEU A 67 1.184 6.988 -4.737 1.00 0.57 C ATOM 1035 CG LEU A 67 0.109 6.120 -4.065 1.00 0.54 C ATOM 1036 CD1 LEU A 67 0.605 5.747 -2.665 1.00 0.63 C ATOM 1037 CD2 LEU A 67 -1.245 6.816 -3.937 1.00 0.53 C ATOM 0 H LEU A 67 0.814 5.793 -7.090 1.00 0.47 H new ATOM 0 HA LEU A 67 0.108 8.417 -5.953 1.00 0.52 H new ATOM 0 HB2 LEU A 67 2.076 6.375 -4.868 1.00 0.57 H new ATOM 0 HB3 LEU A 67 1.447 7.790 -4.047 1.00 0.57 H new ATOM 0 HG LEU A 67 -0.046 5.245 -4.696 1.00 0.54 H new ATOM 0 HD11 LEU A 67 -0.142 5.130 -2.167 1.00 0.63 H new ATOM 0 HD12 LEU A 67 1.539 5.191 -2.746 1.00 0.63 H new ATOM 0 HD13 LEU A 67 0.772 6.654 -2.084 1.00 0.63 H new ATOM 0 HD21 LEU A 67 -1.955 6.145 -3.454 1.00 0.53 H new ATOM 0 HD22 LEU A 67 -1.134 7.720 -3.338 1.00 0.53 H new ATOM 0 HD23 LEU A 67 -1.613 7.081 -4.928 1.00 0.53 H new ATOM 1049 N GLU A 68 2.545 9.370 -6.244 1.00 0.73 N ATOM 1050 CA GLU A 68 3.836 9.962 -6.588 1.00 0.92 C ATOM 1051 C GLU A 68 4.548 10.503 -5.349 1.00 0.88 C ATOM 1052 O GLU A 68 3.900 10.882 -4.371 1.00 0.85 O ATOM 1053 CB GLU A 68 3.666 11.055 -7.649 1.00 1.06 C ATOM 1054 CG GLU A 68 5.021 11.683 -8.024 1.00 1.38 C ATOM 1055 CD GLU A 68 5.012 12.229 -9.452 1.00 0.95 C ATOM 1056 OE1 GLU A 68 4.703 11.427 -10.368 1.00 1.69 O ATOM 1057 OE2 GLU A 68 5.353 13.410 -9.657 1.00 2.32 O ATOM 0 H GLU A 68 1.983 9.952 -5.623 1.00 0.73 H new ATOM 0 HA GLU A 68 4.463 9.176 -7.008 1.00 0.92 H new ATOM 0 HB2 GLU A 68 3.200 10.632 -8.539 1.00 1.06 H new ATOM 0 HB3 GLU A 68 2.995 11.828 -7.274 1.00 1.06 H new ATOM 0 HG2 GLU A 68 5.255 12.488 -7.327 1.00 1.38 H new ATOM 0 HG3 GLU A 68 5.809 10.936 -7.924 1.00 1.38 H new ATOM 1064 N VAL A 69 5.882 10.522 -5.428 1.00 0.97 N ATOM 1065 CA VAL A 69 6.803 10.995 -4.407 1.00 1.02 C ATOM 1066 C VAL A 69 7.934 11.864 -4.993 1.00 1.04 C ATOM 1067 O VAL A 69 8.426 11.549 -6.075 1.00 0.93 O ATOM 1068 CB VAL A 69 7.392 9.766 -3.658 1.00 1.01 C ATOM 1069 CG1 VAL A 69 8.351 10.129 -2.514 1.00 1.10 C ATOM 1070 CG2 VAL A 69 6.264 8.894 -3.074 1.00 1.05 C ATOM 0 H VAL A 69 6.370 10.186 -6.258 1.00 0.97 H new ATOM 0 HA VAL A 69 6.251 11.631 -3.715 1.00 1.02 H new ATOM 0 HB VAL A 69 7.964 9.225 -4.412 1.00 1.01 H new ATOM 0 HG11 VAL A 69 8.718 9.217 -2.043 1.00 1.10 H new ATOM 0 HG12 VAL A 69 9.193 10.696 -2.911 1.00 1.10 H new ATOM 0 HG13 VAL A 69 7.824 10.732 -1.775 1.00 1.10 H new ATOM 0 HG21 VAL A 69 6.697 8.039 -2.554 1.00 1.05 H new ATOM 0 HG22 VAL A 69 5.674 9.484 -2.373 1.00 1.05 H new ATOM 0 HG23 VAL A 69 5.622 8.541 -3.881 1.00 1.05 H new ATOM 1080 N PRO A 70 8.351 12.952 -4.304 1.00 1.25 N ATOM 1081 CA PRO A 70 9.442 13.829 -4.730 1.00 1.31 C ATOM 1082 C PRO A 70 10.833 13.295 -4.317 1.00 1.30 C ATOM 1083 O PRO A 70 10.946 12.564 -3.331 1.00 1.37 O ATOM 1084 CB PRO A 70 9.152 15.175 -4.062 1.00 1.42 C ATOM 1085 CG PRO A 70 8.500 14.764 -2.745 1.00 1.45 C ATOM 1086 CD PRO A 70 7.684 13.536 -3.146 1.00 1.39 C ATOM 0 HA PRO A 70 9.481 13.900 -5.817 1.00 1.31 H new ATOM 0 HB2 PRO A 70 10.063 15.751 -3.900 1.00 1.42 H new ATOM 0 HB3 PRO A 70 8.488 15.792 -4.667 1.00 1.42 H new ATOM 0 HG2 PRO A 70 9.242 14.526 -1.982 1.00 1.45 H new ATOM 0 HG3 PRO A 70 7.869 15.556 -2.341 1.00 1.45 H new ATOM 0 HD2 PRO A 70 7.634 12.820 -2.326 1.00 1.39 H new ATOM 0 HD3 PRO A 70 6.659 13.815 -3.389 1.00 1.39 H new ATOM 1094 N PRO A 71 11.910 13.696 -5.025 1.00 1.27 N ATOM 1095 CA PRO A 71 13.260 13.191 -4.797 1.00 1.20 C ATOM 1096 C PRO A 71 13.849 13.575 -3.436 1.00 1.24 C ATOM 1097 O PRO A 71 13.552 14.624 -2.868 1.00 1.36 O ATOM 1098 CB PRO A 71 14.105 13.695 -5.965 1.00 1.17 C ATOM 1099 CG PRO A 71 13.367 14.942 -6.434 1.00 1.23 C ATOM 1100 CD PRO A 71 11.904 14.597 -6.168 1.00 1.28 C ATOM 0 HA PRO A 71 13.245 12.102 -4.759 1.00 1.20 H new ATOM 0 HB2 PRO A 71 15.123 13.926 -5.652 1.00 1.17 H new ATOM 0 HB3 PRO A 71 14.177 12.950 -6.758 1.00 1.17 H new ATOM 0 HG2 PRO A 71 13.680 15.828 -5.881 1.00 1.23 H new ATOM 0 HG3 PRO A 71 13.548 15.145 -7.490 1.00 1.23 H new ATOM 0 HD2 PRO A 71 11.323 15.494 -5.955 1.00 1.28 H new ATOM 0 HD3 PRO A 71 11.450 14.122 -7.038 1.00 1.28 H new ATOM 1108 N LYS A 72 14.688 12.669 -2.925 1.00 1.20 N ATOM 1109 CA LYS A 72 15.418 12.695 -1.645 1.00 1.36 C ATOM 1110 C LYS A 72 14.539 12.523 -0.393 1.00 1.64 C ATOM 1111 O LYS A 72 15.061 12.217 0.681 1.00 1.99 O ATOM 1112 CB LYS A 72 16.343 13.926 -1.558 1.00 1.40 C ATOM 1113 CG LYS A 72 17.269 14.085 -2.775 1.00 1.41 C ATOM 1114 CD LYS A 72 18.197 12.879 -3.005 1.00 1.33 C ATOM 1115 CE LYS A 72 18.931 13.052 -4.334 1.00 1.52 C ATOM 1116 NZ LYS A 72 19.745 11.866 -4.681 1.00 1.81 N ATOM 0 H LYS A 72 14.896 11.816 -3.444 1.00 1.20 H new ATOM 0 HA LYS A 72 16.042 11.801 -1.647 1.00 1.36 H new ATOM 0 HB2 LYS A 72 15.732 14.823 -1.457 1.00 1.40 H new ATOM 0 HB3 LYS A 72 16.951 13.851 -0.656 1.00 1.40 H new ATOM 0 HG2 LYS A 72 16.661 14.240 -3.666 1.00 1.41 H new ATOM 0 HG3 LYS A 72 17.876 14.981 -2.644 1.00 1.41 H new ATOM 0 HD2 LYS A 72 18.914 12.797 -2.188 1.00 1.33 H new ATOM 0 HD3 LYS A 72 17.617 11.956 -3.014 1.00 1.33 H new ATOM 0 HE2 LYS A 72 18.206 13.237 -5.126 1.00 1.52 H new ATOM 0 HE3 LYS A 72 19.575 13.930 -4.280 1.00 1.52 H new ATOM 0 HZ1 LYS A 72 20.747 12.064 -4.487 1.00 1.81 H new ATOM 0 HZ2 LYS A 72 19.436 11.054 -4.110 1.00 1.81 H new ATOM 0 HZ3 LYS A 72 19.625 11.646 -5.690 1.00 1.81 H new ATOM 1130 N GLY A 73 13.217 12.641 -0.530 1.00 1.66 N ATOM 1131 CA GLY A 73 12.247 12.360 0.535 1.00 1.96 C ATOM 1132 C GLY A 73 11.957 10.864 0.718 1.00 1.86 C ATOM 1133 O GLY A 73 12.223 10.049 -0.166 1.00 1.55 O ATOM 0 H GLY A 73 12.780 12.941 -1.402 1.00 1.66 H new ATOM 0 HA2 GLY A 73 12.622 12.767 1.474 1.00 1.96 H new ATOM 0 HA3 GLY A 73 11.314 12.879 0.313 1.00 1.96 H new ATOM 1137 N ARG A 74 11.350 10.522 1.863 1.00 2.20 N ATOM 1138 CA ARG A 74 10.376 9.424 1.949 1.00 1.72 C ATOM 1139 C ARG A 74 8.962 10.021 1.896 1.00 1.70 C ATOM 1140 O ARG A 74 8.786 11.179 2.266 1.00 2.21 O ATOM 1141 CB ARG A 74 10.572 8.556 3.217 1.00 2.09 C ATOM 1142 CG ARG A 74 10.004 9.165 4.519 1.00 1.77 C ATOM 1143 CD ARG A 74 10.042 8.224 5.716 1.00 2.07 C ATOM 1144 NE ARG A 74 8.909 8.473 6.630 1.00 2.56 N ATOM 1145 CZ ARG A 74 8.899 8.346 7.953 1.00 3.22 C ATOM 1146 NH1 ARG A 74 9.961 7.980 8.636 1.00 3.73 N ATOM 1147 NH2 ARG A 74 7.786 8.574 8.615 1.00 4.27 N ATOM 0 H ARG A 74 11.519 10.995 2.751 1.00 2.20 H new ATOM 0 HA ARG A 74 10.530 8.754 1.103 1.00 1.72 H new ATOM 0 HB2 ARG A 74 10.102 7.587 3.052 1.00 2.09 H new ATOM 0 HB3 ARG A 74 11.638 8.374 3.353 1.00 2.09 H new ATOM 0 HG2 ARG A 74 10.567 10.066 4.761 1.00 1.77 H new ATOM 0 HG3 ARG A 74 8.973 9.471 4.344 1.00 1.77 H new ATOM 0 HD2 ARG A 74 10.013 7.191 5.370 1.00 2.07 H new ATOM 0 HD3 ARG A 74 10.981 8.354 6.254 1.00 2.07 H new ATOM 0 HE ARG A 74 8.036 8.776 6.198 1.00 2.56 H new ATOM 0 HH11 ARG A 74 10.836 7.781 8.151 1.00 3.73 H new ATOM 0 HH12 ARG A 74 9.910 7.895 9.651 1.00 3.73 H new ATOM 0 HH21 ARG A 74 6.941 8.846 8.113 1.00 4.27 H new ATOM 0 HH22 ARG A 74 7.768 8.479 9.630 1.00 4.27 H new ATOM 1161 N VAL A 75 7.968 9.217 1.536 1.00 1.50 N ATOM 1162 CA VAL A 75 6.535 9.486 1.752 1.00 2.09 C ATOM 1163 C VAL A 75 5.839 8.137 1.953 1.00 1.62 C ATOM 1164 O VAL A 75 5.859 7.293 1.065 1.00 1.51 O ATOM 1165 CB VAL A 75 5.882 10.258 0.572 1.00 2.85 C ATOM 1166 CG1 VAL A 75 4.352 10.356 0.734 1.00 3.54 C ATOM 1167 CG2 VAL A 75 6.388 11.702 0.410 1.00 3.39 C ATOM 0 H VAL A 75 8.135 8.326 1.068 1.00 1.50 H new ATOM 0 HA VAL A 75 6.425 10.126 2.627 1.00 2.09 H new ATOM 0 HB VAL A 75 6.163 9.674 -0.305 1.00 2.85 H new ATOM 0 HG11 VAL A 75 3.931 10.902 -0.110 1.00 3.54 H new ATOM 0 HG12 VAL A 75 3.925 9.354 0.767 1.00 3.54 H new ATOM 0 HG13 VAL A 75 4.117 10.881 1.660 1.00 3.54 H new ATOM 0 HG21 VAL A 75 5.884 12.172 -0.435 1.00 3.39 H new ATOM 0 HG22 VAL A 75 6.176 12.266 1.318 1.00 3.39 H new ATOM 0 HG23 VAL A 75 7.463 11.693 0.231 1.00 3.39 H new ATOM 1177 N GLU A 76 5.225 7.919 3.109 1.00 1.61 N ATOM 1178 CA GLU A 76 4.512 6.673 3.400 1.00 1.13 C ATOM 1179 C GLU A 76 3.118 6.629 2.747 1.00 0.99 C ATOM 1180 O GLU A 76 2.488 7.673 2.525 1.00 1.20 O ATOM 1181 CB GLU A 76 4.351 6.425 4.910 1.00 1.26 C ATOM 1182 CG GLU A 76 5.552 6.696 5.830 1.00 1.86 C ATOM 1183 CD GLU A 76 5.731 8.165 6.196 1.00 2.02 C ATOM 1184 OE1 GLU A 76 6.365 8.887 5.397 1.00 2.68 O ATOM 1185 OE2 GLU A 76 5.329 8.562 7.307 1.00 2.97 O ATOM 0 H GLU A 76 5.205 8.596 3.872 1.00 1.61 H new ATOM 0 HA GLU A 76 5.134 5.887 2.973 1.00 1.13 H new ATOM 0 HB2 GLU A 76 3.520 7.038 5.260 1.00 1.26 H new ATOM 0 HB3 GLU A 76 4.058 5.384 5.046 1.00 1.26 H new ATOM 0 HG2 GLU A 76 5.434 6.116 6.745 1.00 1.86 H new ATOM 0 HG3 GLU A 76 6.459 6.340 5.341 1.00 1.86 H new ATOM 1192 N LEU A 77 2.582 5.420 2.518 1.00 0.80 N ATOM 1193 CA LEU A 77 1.131 5.244 2.418 1.00 0.91 C ATOM 1194 C LEU A 77 0.512 5.576 3.792 1.00 1.31 C ATOM 1195 O LEU A 77 1.116 5.360 4.839 1.00 2.60 O ATOM 1196 CB LEU A 77 0.765 3.822 1.944 1.00 0.90 C ATOM 1197 CG LEU A 77 0.860 3.563 0.422 1.00 0.76 C ATOM 1198 CD1 LEU A 77 2.266 3.616 -0.197 1.00 0.75 C ATOM 1199 CD2 LEU A 77 0.228 2.208 0.110 1.00 1.10 C ATOM 0 H LEU A 77 3.124 4.564 2.401 1.00 0.80 H new ATOM 0 HA LEU A 77 0.725 5.921 1.666 1.00 0.91 H new ATOM 0 HB2 LEU A 77 1.417 3.113 2.453 1.00 0.90 H new ATOM 0 HB3 LEU A 77 -0.254 3.606 2.265 1.00 0.90 H new ATOM 0 HG LEU A 77 0.326 4.396 -0.036 1.00 0.76 H new ATOM 0 HD11 LEU A 77 2.200 3.419 -1.267 1.00 0.75 H new ATOM 0 HD12 LEU A 77 2.697 4.604 -0.036 1.00 0.75 H new ATOM 0 HD13 LEU A 77 2.899 2.863 0.273 1.00 0.75 H new ATOM 0 HD21 LEU A 77 0.290 2.016 -0.961 1.00 1.10 H new ATOM 0 HD22 LEU A 77 0.760 1.425 0.651 1.00 1.10 H new ATOM 0 HD23 LEU A 77 -0.818 2.215 0.418 1.00 1.10 H new ATOM 1211 N LYS A 78 -0.679 6.178 3.817 1.00 1.37 N ATOM 1212 CA LYS A 78 -1.239 6.714 5.064 1.00 1.64 C ATOM 1213 C LYS A 78 -1.959 5.593 5.835 1.00 1.10 C ATOM 1214 O LYS A 78 -2.881 5.024 5.256 1.00 0.91 O ATOM 1215 CB LYS A 78 -2.198 7.876 4.742 1.00 2.26 C ATOM 1216 CG LYS A 78 -1.567 9.228 4.365 1.00 1.91 C ATOM 1217 CD LYS A 78 -0.340 9.136 3.437 1.00 2.31 C ATOM 1218 CE LYS A 78 0.336 10.483 3.181 1.00 2.52 C ATOM 1219 NZ LYS A 78 1.609 10.289 2.439 1.00 3.36 N ATOM 0 H LYS A 78 -1.272 6.307 2.997 1.00 1.37 H new ATOM 0 HA LYS A 78 -0.437 7.098 5.695 1.00 1.64 H new ATOM 0 HB2 LYS A 78 -2.842 7.564 3.920 1.00 2.26 H new ATOM 0 HB3 LYS A 78 -2.840 8.033 5.609 1.00 2.26 H new ATOM 0 HG2 LYS A 78 -2.325 9.844 3.881 1.00 1.91 H new ATOM 0 HG3 LYS A 78 -1.274 9.743 5.280 1.00 1.91 H new ATOM 0 HD2 LYS A 78 0.386 8.452 3.876 1.00 2.31 H new ATOM 0 HD3 LYS A 78 -0.647 8.706 2.484 1.00 2.31 H new ATOM 0 HE2 LYS A 78 -0.331 11.129 2.610 1.00 2.52 H new ATOM 0 HE3 LYS A 78 0.532 10.985 4.128 1.00 2.52 H new ATOM 0 HZ1 LYS A 78 2.296 11.012 2.734 1.00 3.36 H new ATOM 0 HZ2 LYS A 78 1.991 9.344 2.646 1.00 3.36 H new ATOM 0 HZ3 LYS A 78 1.432 10.375 1.418 1.00 3.36 H new ATOM 1233 N PRO A 79 -1.655 5.343 7.129 1.00 1.39 N ATOM 1234 CA PRO A 79 -2.224 4.235 7.901 1.00 1.54 C ATOM 1235 C PRO A 79 -3.755 4.266 8.055 1.00 1.36 C ATOM 1236 O PRO A 79 -4.339 3.241 8.393 1.00 2.47 O ATOM 1237 CB PRO A 79 -1.499 4.240 9.250 1.00 2.19 C ATOM 1238 CG PRO A 79 -0.980 5.667 9.387 1.00 2.23 C ATOM 1239 CD PRO A 79 -0.677 6.056 7.942 1.00 2.07 C ATOM 0 HA PRO A 79 -2.065 3.303 7.358 1.00 1.54 H new ATOM 0 HB2 PRO A 79 -2.173 3.981 10.066 1.00 2.19 H new ATOM 0 HB3 PRO A 79 -0.684 3.516 9.268 1.00 2.19 H new ATOM 0 HG2 PRO A 79 -1.723 6.326 9.836 1.00 2.23 H new ATOM 0 HG3 PRO A 79 -0.090 5.715 10.014 1.00 2.23 H new ATOM 0 HD2 PRO A 79 -0.761 7.134 7.801 1.00 2.07 H new ATOM 0 HD3 PRO A 79 0.340 5.777 7.666 1.00 2.07 H new ATOM 1247 N GLY A 80 -4.410 5.400 7.764 1.00 0.82 N ATOM 1248 CA GLY A 80 -5.824 5.424 7.374 1.00 1.20 C ATOM 1249 C GLY A 80 -5.996 5.610 5.864 1.00 1.63 C ATOM 1250 O GLY A 80 -6.617 4.776 5.208 1.00 3.47 O ATOM 0 H GLY A 80 -3.975 6.322 7.793 1.00 0.82 H new ATOM 0 HA2 GLY A 80 -6.302 4.494 7.682 1.00 1.20 H new ATOM 0 HA3 GLY A 80 -6.332 6.232 7.900 1.00 1.20 H new ATOM 1254 N GLY A 81 -5.450 6.718 5.339 1.00 0.78 N ATOM 1255 CA GLY A 81 -5.842 7.346 4.062 1.00 0.93 C ATOM 1256 C GLY A 81 -5.409 6.700 2.747 1.00 0.99 C ATOM 1257 O GLY A 81 -5.961 7.063 1.720 1.00 2.00 O ATOM 0 H GLY A 81 -4.696 7.221 5.807 1.00 0.78 H new ATOM 0 HA2 GLY A 81 -6.930 7.414 4.051 1.00 0.93 H new ATOM 0 HA3 GLY A 81 -5.459 8.366 4.068 1.00 0.93 H new ATOM 1261 N TYR A 82 -4.425 5.801 2.722 1.00 1.06 N ATOM 1262 CA TYR A 82 -4.005 5.073 1.516 1.00 0.96 C ATOM 1263 C TYR A 82 -3.509 3.676 1.849 1.00 0.93 C ATOM 1264 O TYR A 82 -2.782 3.479 2.817 1.00 0.98 O ATOM 1265 CB TYR A 82 -2.878 5.786 0.763 1.00 1.03 C ATOM 1266 CG TYR A 82 -3.299 7.061 0.079 1.00 0.99 C ATOM 1267 CD1 TYR A 82 -3.336 8.263 0.805 1.00 2.20 C ATOM 1268 CD2 TYR A 82 -3.709 7.034 -1.263 1.00 1.54 C ATOM 1269 CE1 TYR A 82 -3.831 9.431 0.211 1.00 2.25 C ATOM 1270 CE2 TYR A 82 -4.144 8.214 -1.882 1.00 1.53 C ATOM 1271 CZ TYR A 82 -4.226 9.418 -1.146 1.00 1.04 C ATOM 1272 OH TYR A 82 -4.706 10.548 -1.735 1.00 1.09 O ATOM 0 H TYR A 82 -3.886 5.551 3.551 1.00 1.06 H new ATOM 0 HA TYR A 82 -4.895 5.026 0.888 1.00 0.96 H new ATOM 0 HB2 TYR A 82 -2.075 6.012 1.464 1.00 1.03 H new ATOM 0 HB3 TYR A 82 -2.468 5.105 0.017 1.00 1.03 H new ATOM 0 HD1 TYR A 82 -2.981 8.287 1.825 1.00 2.20 H new ATOM 0 HD2 TYR A 82 -3.689 6.107 -1.817 1.00 1.54 H new ATOM 0 HE1 TYR A 82 -3.911 10.340 0.789 1.00 2.25 H new ATOM 0 HE2 TYR A 82 -4.418 8.203 -2.927 1.00 1.53 H new ATOM 0 HH TYR A 82 -4.929 10.360 -2.671 1.00 1.09 H new ATOM 1282 N HIS A 83 -3.840 2.715 1.000 1.00 0.81 N ATOM 1283 CA HIS A 83 -3.417 1.320 1.149 1.00 0.73 C ATOM 1284 C HIS A 83 -3.472 0.574 -0.187 1.00 0.58 C ATOM 1285 O HIS A 83 -4.343 0.848 -1.016 1.00 0.61 O ATOM 1286 CB HIS A 83 -4.253 0.620 2.231 1.00 0.79 C ATOM 1287 CG HIS A 83 -5.729 0.591 1.938 1.00 0.74 C ATOM 1288 ND1 HIS A 83 -6.608 1.634 2.121 1.00 0.78 N ATOM 1289 CD2 HIS A 83 -6.413 -0.421 1.313 1.00 0.68 C ATOM 1290 CE1 HIS A 83 -7.787 1.279 1.588 1.00 0.69 C ATOM 1291 NE2 HIS A 83 -7.725 0.016 1.139 1.00 0.66 N ATOM 0 H HIS A 83 -4.418 2.878 0.175 1.00 0.81 H new ATOM 0 HA HIS A 83 -2.376 1.309 1.472 1.00 0.73 H new ATOM 0 HB2 HIS A 83 -3.895 -0.403 2.347 1.00 0.79 H new ATOM 0 HB3 HIS A 83 -4.092 1.124 3.184 1.00 0.79 H new ATOM 0 HD2 HIS A 83 -6.010 -1.377 1.012 1.00 0.68 H new ATOM 0 HE1 HIS A 83 -8.657 1.916 1.529 1.00 0.69 H new ATOM 0 HE2 HIS A 83 -8.495 -0.524 0.744 1.00 0.66 H new ATOM 1299 N PHE A 84 -2.598 -0.424 -0.354 1.00 0.46 N ATOM 1300 CA PHE A 84 -2.769 -1.446 -1.382 1.00 0.40 C ATOM 1301 C PHE A 84 -3.782 -2.477 -0.891 1.00 0.39 C ATOM 1302 O PHE A 84 -3.508 -3.167 0.084 1.00 0.61 O ATOM 1303 CB PHE A 84 -1.440 -2.143 -1.688 1.00 0.45 C ATOM 1304 CG PHE A 84 -0.514 -1.301 -2.525 1.00 0.49 C ATOM 1305 CD1 PHE A 84 -0.711 -1.231 -3.915 1.00 1.58 C ATOM 1306 CD2 PHE A 84 0.501 -0.547 -1.915 1.00 1.79 C ATOM 1307 CE1 PHE A 84 0.131 -0.427 -4.698 1.00 1.60 C ATOM 1308 CE2 PHE A 84 1.323 0.277 -2.696 1.00 1.82 C ATOM 1309 CZ PHE A 84 1.157 0.317 -4.090 1.00 0.65 C ATOM 0 H PHE A 84 -1.760 -0.543 0.216 1.00 0.46 H new ATOM 0 HA PHE A 84 -3.124 -0.970 -2.296 1.00 0.40 H new ATOM 0 HB2 PHE A 84 -0.945 -2.396 -0.751 1.00 0.45 H new ATOM 0 HB3 PHE A 84 -1.639 -3.081 -2.207 1.00 0.45 H new ATOM 0 HD1 PHE A 84 -1.508 -1.794 -4.379 1.00 1.58 H new ATOM 0 HD2 PHE A 84 0.648 -0.602 -0.846 1.00 1.79 H new ATOM 0 HE1 PHE A 84 -0.009 -0.380 -5.768 1.00 1.60 H new ATOM 0 HE2 PHE A 84 2.084 0.881 -2.226 1.00 1.82 H new ATOM 0 HZ PHE A 84 1.818 0.920 -4.695 1.00 0.65 H new ATOM 1319 N MET A 85 -4.915 -2.614 -1.569 1.00 0.43 N ATOM 1320 CA MET A 85 -5.931 -3.656 -1.379 1.00 0.47 C ATOM 1321 C MET A 85 -5.428 -4.944 -2.040 1.00 0.48 C ATOM 1322 O MET A 85 -5.073 -4.939 -3.215 1.00 0.48 O ATOM 1323 CB MET A 85 -7.252 -3.202 -1.990 1.00 0.55 C ATOM 1324 CG MET A 85 -8.456 -4.003 -1.462 1.00 0.70 C ATOM 1325 SD MET A 85 -9.360 -3.271 -0.058 1.00 1.00 S ATOM 1326 CE MET A 85 -8.710 -4.262 1.319 1.00 0.65 C ATOM 0 H MET A 85 -5.170 -1.964 -2.313 1.00 0.43 H new ATOM 0 HA MET A 85 -6.101 -3.841 -0.318 1.00 0.47 H new ATOM 0 HB2 MET A 85 -7.402 -2.144 -1.776 1.00 0.55 H new ATOM 0 HB3 MET A 85 -7.200 -3.303 -3.074 1.00 0.55 H new ATOM 0 HG2 MET A 85 -9.158 -4.147 -2.283 1.00 0.70 H new ATOM 0 HG3 MET A 85 -8.106 -4.992 -1.165 1.00 0.70 H new ATOM 0 HE1 MET A 85 -9.072 -3.855 2.263 1.00 0.65 H new ATOM 0 HE2 MET A 85 -9.047 -5.293 1.216 1.00 0.65 H new ATOM 0 HE3 MET A 85 -7.620 -4.233 1.305 1.00 0.65 H new ATOM 1336 N LEU A 86 -5.361 -6.033 -1.287 1.00 0.57 N ATOM 1337 CA LEU A 86 -4.679 -7.272 -1.652 1.00 0.54 C ATOM 1338 C LEU A 86 -5.705 -8.394 -1.739 1.00 0.48 C ATOM 1339 O LEU A 86 -6.059 -8.958 -0.709 1.00 0.53 O ATOM 1340 CB LEU A 86 -3.652 -7.573 -0.544 1.00 0.67 C ATOM 1341 CG LEU A 86 -2.457 -6.614 -0.520 1.00 1.01 C ATOM 1342 CD1 LEU A 86 -1.800 -6.659 0.863 1.00 1.71 C ATOM 1343 CD2 LEU A 86 -1.425 -7.027 -1.563 1.00 1.99 C ATOM 0 H LEU A 86 -5.798 -6.082 -0.366 1.00 0.57 H new ATOM 0 HA LEU A 86 -4.178 -7.183 -2.616 1.00 0.54 H new ATOM 0 HB2 LEU A 86 -4.155 -7.534 0.422 1.00 0.67 H new ATOM 0 HB3 LEU A 86 -3.284 -8.591 -0.671 1.00 0.67 H new ATOM 0 HG LEU A 86 -2.812 -5.607 -0.741 1.00 1.01 H new ATOM 0 HD11 LEU A 86 -0.949 -5.978 0.884 1.00 1.71 H new ATOM 0 HD12 LEU A 86 -2.524 -6.358 1.620 1.00 1.71 H new ATOM 0 HD13 LEU A 86 -1.458 -7.673 1.071 1.00 1.71 H new ATOM 0 HD21 LEU A 86 -0.582 -6.337 -1.534 1.00 1.99 H new ATOM 0 HD22 LEU A 86 -1.075 -8.037 -1.348 1.00 1.99 H new ATOM 0 HD23 LEU A 86 -1.879 -7.004 -2.554 1.00 1.99 H new ATOM 1355 N LEU A 87 -6.195 -8.722 -2.939 1.00 0.69 N ATOM 1356 CA LEU A 87 -7.189 -9.781 -3.126 1.00 0.59 C ATOM 1357 C LEU A 87 -6.571 -11.040 -3.732 1.00 0.57 C ATOM 1358 O LEU A 87 -5.625 -10.984 -4.519 1.00 0.77 O ATOM 1359 CB LEU A 87 -8.389 -9.295 -3.969 1.00 0.95 C ATOM 1360 CG LEU A 87 -9.175 -8.078 -3.430 1.00 1.12 C ATOM 1361 CD1 LEU A 87 -8.568 -6.729 -3.836 1.00 1.67 C ATOM 1362 CD2 LEU A 87 -10.625 -8.142 -3.929 1.00 2.36 C ATOM 0 H LEU A 87 -5.914 -8.262 -3.805 1.00 0.69 H new ATOM 0 HA LEU A 87 -7.562 -10.041 -2.135 1.00 0.59 H new ATOM 0 HB2 LEU A 87 -8.025 -9.049 -4.967 1.00 0.95 H new ATOM 0 HB3 LEU A 87 -9.085 -10.127 -4.079 1.00 0.95 H new ATOM 0 HG LEU A 87 -9.128 -8.136 -2.343 1.00 1.12 H new ATOM 0 HD11 LEU A 87 -9.171 -5.920 -3.423 1.00 1.67 H new ATOM 0 HD12 LEU A 87 -7.551 -6.657 -3.451 1.00 1.67 H new ATOM 0 HD13 LEU A 87 -8.550 -6.650 -4.923 1.00 1.67 H new ATOM 0 HD21 LEU A 87 -11.179 -7.284 -3.549 1.00 2.36 H new ATOM 0 HD22 LEU A 87 -10.636 -8.127 -5.019 1.00 2.36 H new ATOM 0 HD23 LEU A 87 -11.092 -9.061 -3.574 1.00 2.36 H new ATOM 1374 N GLY A 88 -7.143 -12.189 -3.376 1.00 0.54 N ATOM 1375 CA GLY A 88 -6.790 -13.486 -3.958 1.00 0.75 C ATOM 1376 C GLY A 88 -5.472 -13.993 -3.393 1.00 1.06 C ATOM 1377 O GLY A 88 -4.533 -14.248 -4.144 1.00 2.08 O ATOM 0 H GLY A 88 -7.874 -12.248 -2.667 1.00 0.54 H new ATOM 0 HA2 GLY A 88 -7.580 -14.208 -3.753 1.00 0.75 H new ATOM 0 HA3 GLY A 88 -6.715 -13.395 -5.042 1.00 0.75 H new ATOM 1381 N LEU A 89 -5.369 -14.024 -2.063 1.00 0.49 N ATOM 1382 CA LEU A 89 -4.181 -14.469 -1.348 1.00 0.55 C ATOM 1383 C LEU A 89 -3.659 -15.818 -1.805 1.00 0.78 C ATOM 1384 O LEU A 89 -4.397 -16.713 -2.206 1.00 0.83 O ATOM 1385 CB LEU A 89 -4.360 -14.561 0.166 1.00 0.65 C ATOM 1386 CG LEU A 89 -5.129 -13.440 0.888 1.00 0.68 C ATOM 1387 CD1 LEU A 89 -4.960 -13.708 2.383 1.00 0.98 C ATOM 1388 CD2 LEU A 89 -4.647 -12.018 0.561 1.00 0.57 C ATOM 0 H LEU A 89 -6.126 -13.734 -1.445 1.00 0.49 H new ATOM 0 HA LEU A 89 -3.464 -13.685 -1.590 1.00 0.55 H new ATOM 0 HB2 LEU A 89 -4.866 -15.502 0.383 1.00 0.65 H new ATOM 0 HB3 LEU A 89 -3.368 -14.622 0.613 1.00 0.65 H new ATOM 0 HG LEU A 89 -6.167 -13.464 0.555 1.00 0.68 H new ATOM 0 HD11 LEU A 89 -5.486 -12.942 2.952 1.00 0.98 H new ATOM 0 HD12 LEU A 89 -5.372 -14.687 2.626 1.00 0.98 H new ATOM 0 HD13 LEU A 89 -3.901 -13.686 2.639 1.00 0.98 H new ATOM 0 HD21 LEU A 89 -5.246 -11.295 1.114 1.00 0.57 H new ATOM 0 HD22 LEU A 89 -3.600 -11.915 0.845 1.00 0.57 H new ATOM 0 HD23 LEU A 89 -4.753 -11.835 -0.508 1.00 0.57 H new ATOM 1400 N LYS A 90 -2.353 -15.951 -1.639 1.00 0.98 N ATOM 1401 CA LYS A 90 -1.583 -17.094 -2.130 1.00 1.36 C ATOM 1402 C LYS A 90 -0.965 -17.969 -1.031 1.00 1.63 C ATOM 1403 O LYS A 90 -0.615 -19.125 -1.253 1.00 2.04 O ATOM 1404 CB LYS A 90 -0.514 -16.552 -3.040 1.00 1.49 C ATOM 1405 CG LYS A 90 -1.136 -15.977 -4.318 1.00 1.40 C ATOM 1406 CD LYS A 90 0.014 -15.322 -5.048 1.00 2.83 C ATOM 1407 CE LYS A 90 -0.353 -14.729 -6.413 1.00 2.73 C ATOM 1408 NZ LYS A 90 -0.743 -15.743 -7.420 1.00 3.03 N ATOM 0 H LYS A 90 -1.784 -15.259 -1.152 1.00 0.98 H new ATOM 0 HA LYS A 90 -2.268 -17.761 -2.652 1.00 1.36 H new ATOM 0 HB2 LYS A 90 0.052 -15.777 -2.524 1.00 1.49 H new ATOM 0 HB3 LYS A 90 0.190 -17.344 -3.296 1.00 1.49 H new ATOM 0 HG2 LYS A 90 -1.593 -16.761 -4.922 1.00 1.40 H new ATOM 0 HG3 LYS A 90 -1.919 -15.255 -4.086 1.00 1.40 H new ATOM 0 HD2 LYS A 90 0.422 -14.530 -4.420 1.00 2.83 H new ATOM 0 HD3 LYS A 90 0.806 -16.058 -5.187 1.00 2.83 H new ATOM 0 HE2 LYS A 90 -1.174 -14.024 -6.284 1.00 2.73 H new ATOM 0 HE3 LYS A 90 0.497 -14.162 -6.793 1.00 2.73 H new ATOM 0 HZ1 LYS A 90 -0.697 -15.324 -8.371 1.00 3.03 H new ATOM 0 HZ2 LYS A 90 -0.093 -16.553 -7.367 1.00 3.03 H new ATOM 0 HZ3 LYS A 90 -1.713 -16.066 -7.230 1.00 3.03 H new ATOM 1422 N ARG A 91 -0.824 -17.398 0.166 1.00 1.48 N ATOM 1423 CA ARG A 91 -0.526 -18.058 1.428 1.00 1.77 C ATOM 1424 C ARG A 91 -1.596 -17.644 2.450 1.00 1.74 C ATOM 1425 O ARG A 91 -2.109 -16.528 2.330 1.00 1.54 O ATOM 1426 CB ARG A 91 0.820 -17.549 1.956 1.00 1.77 C ATOM 1427 CG ARG A 91 2.034 -17.999 1.139 1.00 2.32 C ATOM 1428 CD ARG A 91 3.307 -17.419 1.767 1.00 2.93 C ATOM 1429 NE ARG A 91 4.514 -17.958 1.121 1.00 4.29 N ATOM 1430 CZ ARG A 91 5.237 -18.999 1.526 1.00 4.74 C ATOM 1431 NH1 ARG A 91 4.958 -19.646 2.644 1.00 4.44 N ATOM 1432 NH2 ARG A 91 6.259 -19.404 0.802 1.00 6.22 N ATOM 0 H ARG A 91 -0.923 -16.389 0.282 1.00 1.48 H new ATOM 0 HA ARG A 91 -0.502 -19.138 1.282 1.00 1.77 H new ATOM 0 HB2 ARG A 91 0.798 -16.459 1.980 1.00 1.77 H new ATOM 0 HB3 ARG A 91 0.944 -17.888 2.984 1.00 1.77 H new ATOM 0 HG2 ARG A 91 2.089 -19.087 1.116 1.00 2.32 H new ATOM 0 HG3 ARG A 91 1.938 -17.663 0.107 1.00 2.32 H new ATOM 0 HD2 ARG A 91 3.298 -16.333 1.677 1.00 2.93 H new ATOM 0 HD3 ARG A 91 3.328 -17.650 2.832 1.00 2.93 H new ATOM 0 HE ARG A 91 4.829 -17.484 0.275 1.00 4.29 H new ATOM 0 HH11 ARG A 91 4.171 -19.351 3.221 1.00 4.44 H new ATOM 0 HH12 ARG A 91 5.530 -20.441 2.930 1.00 4.44 H new ATOM 0 HH21 ARG A 91 6.493 -18.920 -0.065 1.00 6.22 H new ATOM 0 HH22 ARG A 91 6.817 -20.201 1.108 1.00 6.22 H new ATOM 1446 N PRO A 92 -1.867 -18.459 3.484 1.00 2.04 N ATOM 1447 CA PRO A 92 -2.361 -17.935 4.745 1.00 2.20 C ATOM 1448 C PRO A 92 -1.262 -17.053 5.351 1.00 2.24 C ATOM 1449 O PRO A 92 -0.074 -17.375 5.274 1.00 2.74 O ATOM 1450 CB PRO A 92 -2.685 -19.160 5.601 1.00 2.62 C ATOM 1451 CG PRO A 92 -1.693 -20.211 5.102 1.00 2.76 C ATOM 1452 CD PRO A 92 -1.494 -19.861 3.625 1.00 2.38 C ATOM 0 HA PRO A 92 -3.253 -17.315 4.654 1.00 2.20 H new ATOM 0 HB2 PRO A 92 -2.553 -18.955 6.663 1.00 2.62 H new ATOM 0 HB3 PRO A 92 -3.717 -19.484 5.465 1.00 2.62 H new ATOM 0 HG2 PRO A 92 -0.753 -20.166 5.653 1.00 2.76 H new ATOM 0 HG3 PRO A 92 -2.086 -21.220 5.224 1.00 2.76 H new ATOM 0 HD2 PRO A 92 -0.459 -20.020 3.324 1.00 2.38 H new ATOM 0 HD3 PRO A 92 -2.112 -20.494 2.988 1.00 2.38 H new ATOM 1460 N LEU A 93 -1.664 -15.925 5.935 1.00 1.94 N ATOM 1461 CA LEU A 93 -0.781 -14.929 6.543 1.00 1.80 C ATOM 1462 C LEU A 93 -1.332 -14.538 7.914 1.00 1.67 C ATOM 1463 O LEU A 93 -2.504 -14.777 8.195 1.00 2.23 O ATOM 1464 CB LEU A 93 -0.606 -13.737 5.569 1.00 2.11 C ATOM 1465 CG LEU A 93 -1.880 -12.911 5.244 1.00 1.54 C ATOM 1466 CD1 LEU A 93 -2.154 -11.804 6.277 1.00 2.46 C ATOM 1467 CD2 LEU A 93 -1.738 -12.241 3.870 1.00 1.30 C ATOM 0 H LEU A 93 -2.649 -15.670 6.000 1.00 1.94 H new ATOM 0 HA LEU A 93 0.217 -15.333 6.716 1.00 1.80 H new ATOM 0 HB2 LEU A 93 0.140 -13.062 5.988 1.00 2.11 H new ATOM 0 HB3 LEU A 93 -0.200 -14.119 4.632 1.00 2.11 H new ATOM 0 HG LEU A 93 -2.711 -13.616 5.260 1.00 1.54 H new ATOM 0 HD11 LEU A 93 -3.057 -11.261 5.997 1.00 2.46 H new ATOM 0 HD12 LEU A 93 -2.290 -12.251 7.262 1.00 2.46 H new ATOM 0 HD13 LEU A 93 -1.310 -11.115 6.305 1.00 2.46 H new ATOM 0 HD21 LEU A 93 -2.637 -11.664 3.652 1.00 1.30 H new ATOM 0 HD22 LEU A 93 -0.874 -11.577 3.877 1.00 1.30 H new ATOM 0 HD23 LEU A 93 -1.603 -13.005 3.105 1.00 1.30 H new ATOM 1479 N LYS A 94 -0.510 -13.912 8.759 1.00 1.33 N ATOM 1480 CA LYS A 94 -0.944 -13.373 10.056 1.00 1.44 C ATOM 1481 C LYS A 94 0.018 -12.325 10.628 1.00 1.36 C ATOM 1482 O LYS A 94 1.111 -12.109 10.116 1.00 1.85 O ATOM 1483 CB LYS A 94 -1.348 -14.488 11.060 1.00 1.71 C ATOM 1484 CG LYS A 94 -0.544 -15.800 11.114 1.00 1.52 C ATOM 1485 CD LYS A 94 0.951 -15.662 11.431 1.00 2.43 C ATOM 1486 CE LYS A 94 1.500 -17.024 11.894 1.00 2.94 C ATOM 1487 NZ LYS A 94 2.974 -17.011 12.042 1.00 4.13 N ATOM 0 H LYS A 94 0.480 -13.763 8.565 1.00 1.33 H new ATOM 0 HA LYS A 94 -1.862 -12.818 9.866 1.00 1.44 H new ATOM 0 HB2 LYS A 94 -1.323 -14.051 12.058 1.00 1.71 H new ATOM 0 HB3 LYS A 94 -2.385 -14.751 10.853 1.00 1.71 H new ATOM 0 HG2 LYS A 94 -0.996 -16.449 11.865 1.00 1.52 H new ATOM 0 HG3 LYS A 94 -0.646 -16.305 10.153 1.00 1.52 H new ATOM 0 HD2 LYS A 94 1.492 -15.320 10.549 1.00 2.43 H new ATOM 0 HD3 LYS A 94 1.102 -14.913 12.208 1.00 2.43 H new ATOM 0 HE2 LYS A 94 1.043 -17.294 12.846 1.00 2.94 H new ATOM 0 HE3 LYS A 94 1.215 -17.792 11.175 1.00 2.94 H new ATOM 0 HZ1 LYS A 94 3.253 -17.670 12.797 1.00 4.13 H new ATOM 0 HZ2 LYS A 94 3.415 -17.303 11.147 1.00 4.13 H new ATOM 0 HZ3 LYS A 94 3.290 -16.051 12.286 1.00 4.13 H new ATOM 1501 N ALA A 95 -0.412 -11.659 11.695 1.00 1.30 N ATOM 1502 CA ALA A 95 0.417 -10.774 12.482 1.00 1.19 C ATOM 1503 C ALA A 95 1.622 -11.538 13.053 1.00 1.08 C ATOM 1504 O ALA A 95 1.471 -12.637 13.588 1.00 1.19 O ATOM 1505 CB ALA A 95 -0.471 -10.179 13.577 1.00 1.40 C ATOM 0 H ALA A 95 -1.370 -11.726 12.038 1.00 1.30 H new ATOM 0 HA ALA A 95 0.830 -9.968 11.875 1.00 1.19 H new ATOM 0 HB1 ALA A 95 0.118 -9.503 14.196 1.00 1.40 H new ATOM 0 HB2 ALA A 95 -1.293 -9.629 13.120 1.00 1.40 H new ATOM 0 HB3 ALA A 95 -0.872 -10.981 14.197 1.00 1.40 H new ATOM 1511 N GLY A 96 2.791 -10.916 12.934 1.00 1.00 N ATOM 1512 CA GLY A 96 4.084 -11.422 13.415 1.00 1.05 C ATOM 1513 C GLY A 96 5.052 -11.887 12.324 1.00 1.18 C ATOM 1514 O GLY A 96 6.210 -12.133 12.641 1.00 1.69 O ATOM 0 H GLY A 96 2.873 -10.006 12.481 1.00 1.00 H new ATOM 0 HA2 GLY A 96 4.568 -10.638 13.997 1.00 1.05 H new ATOM 0 HA3 GLY A 96 3.900 -12.255 14.093 1.00 1.05 H new ATOM 1518 N GLU A 97 4.610 -11.946 11.063 1.00 1.06 N ATOM 1519 CA GLU A 97 5.480 -12.253 9.925 1.00 1.18 C ATOM 1520 C GLU A 97 6.107 -10.971 9.361 1.00 1.11 C ATOM 1521 O GLU A 97 5.773 -9.858 9.777 1.00 0.99 O ATOM 1522 CB GLU A 97 4.703 -12.941 8.787 1.00 1.27 C ATOM 1523 CG GLU A 97 3.721 -14.065 9.138 1.00 1.39 C ATOM 1524 CD GLU A 97 4.211 -15.115 10.125 1.00 2.26 C ATOM 1525 OE1 GLU A 97 4.244 -14.830 11.341 1.00 3.80 O ATOM 1526 OE2 GLU A 97 4.279 -16.306 9.750 1.00 2.57 O ATOM 0 H GLU A 97 3.637 -11.782 10.804 1.00 1.06 H new ATOM 0 HA GLU A 97 6.254 -12.925 10.295 1.00 1.18 H new ATOM 0 HB2 GLU A 97 4.146 -12.170 8.255 1.00 1.27 H new ATOM 0 HB3 GLU A 97 5.433 -13.347 8.087 1.00 1.27 H new ATOM 0 HG2 GLU A 97 2.816 -13.612 9.543 1.00 1.39 H new ATOM 0 HG3 GLU A 97 3.438 -14.571 8.215 1.00 1.39 H new ATOM 1533 N GLU A 98 6.914 -11.133 8.316 1.00 1.24 N ATOM 1534 CA GLU A 98 7.307 -10.121 7.367 1.00 1.13 C ATOM 1535 C GLU A 98 7.272 -10.770 5.984 1.00 1.16 C ATOM 1536 O GLU A 98 7.536 -11.963 5.828 1.00 1.55 O ATOM 1537 CB GLU A 98 8.659 -9.484 7.716 1.00 1.59 C ATOM 1538 CG GLU A 98 9.892 -10.405 7.656 1.00 1.86 C ATOM 1539 CD GLU A 98 11.179 -9.658 8.029 1.00 2.40 C ATOM 1540 OE1 GLU A 98 11.139 -8.406 8.045 1.00 3.40 O ATOM 1541 OE2 GLU A 98 12.198 -10.334 8.296 1.00 2.90 O ATOM 0 H GLU A 98 7.333 -12.039 8.105 1.00 1.24 H new ATOM 0 HA GLU A 98 6.615 -9.280 7.390 1.00 1.13 H new ATOM 0 HB2 GLU A 98 8.826 -8.647 7.038 1.00 1.59 H new ATOM 0 HB3 GLU A 98 8.591 -9.071 8.722 1.00 1.59 H new ATOM 0 HG2 GLU A 98 9.751 -11.247 8.334 1.00 1.86 H new ATOM 0 HG3 GLU A 98 9.989 -10.818 6.652 1.00 1.86 H new ATOM 1548 N VAL A 99 6.822 -9.987 5.015 1.00 0.84 N ATOM 1549 CA VAL A 99 6.407 -10.430 3.671 1.00 0.78 C ATOM 1550 C VAL A 99 6.695 -9.335 2.642 1.00 0.55 C ATOM 1551 O VAL A 99 6.582 -8.146 2.942 1.00 0.68 O ATOM 1552 CB VAL A 99 4.902 -10.777 3.629 1.00 0.98 C ATOM 1553 CG1 VAL A 99 4.478 -11.323 2.255 1.00 1.37 C ATOM 1554 CG2 VAL A 99 4.463 -11.815 4.683 1.00 1.32 C ATOM 0 H VAL A 99 6.728 -8.979 5.139 1.00 0.84 H new ATOM 0 HA VAL A 99 6.978 -11.327 3.431 1.00 0.78 H new ATOM 0 HB VAL A 99 4.413 -9.827 3.845 1.00 0.98 H new ATOM 0 HG11 VAL A 99 3.413 -11.554 2.268 1.00 1.37 H new ATOM 0 HG12 VAL A 99 4.677 -10.574 1.489 1.00 1.37 H new ATOM 0 HG13 VAL A 99 5.043 -12.228 2.033 1.00 1.37 H new ATOM 0 HG21 VAL A 99 3.394 -12.002 4.586 1.00 1.32 H new ATOM 0 HG22 VAL A 99 5.010 -12.745 4.528 1.00 1.32 H new ATOM 0 HG23 VAL A 99 4.675 -11.432 5.681 1.00 1.32 H new ATOM 1564 N GLU A 100 7.065 -9.731 1.424 1.00 0.57 N ATOM 1565 CA GLU A 100 7.509 -8.775 0.409 1.00 0.55 C ATOM 1566 C GLU A 100 6.385 -8.143 -0.436 1.00 0.55 C ATOM 1567 O GLU A 100 5.418 -8.796 -0.851 1.00 0.58 O ATOM 1568 CB GLU A 100 8.551 -9.366 -0.547 1.00 0.80 C ATOM 1569 CG GLU A 100 9.601 -10.291 0.079 1.00 1.52 C ATOM 1570 CD GLU A 100 9.233 -11.736 -0.243 1.00 1.90 C ATOM 1571 OE1 GLU A 100 8.283 -12.249 0.385 1.00 3.47 O ATOM 1572 OE2 GLU A 100 9.826 -12.257 -1.225 1.00 2.13 O ATOM 0 H GLU A 100 7.066 -10.704 1.117 1.00 0.57 H new ATOM 0 HA GLU A 100 7.953 -7.983 1.011 1.00 0.55 H new ATOM 0 HB2 GLU A 100 8.026 -9.921 -1.324 1.00 0.80 H new ATOM 0 HB3 GLU A 100 9.070 -8.543 -1.039 1.00 0.80 H new ATOM 0 HG2 GLU A 100 10.591 -10.057 -0.311 1.00 1.52 H new ATOM 0 HG3 GLU A 100 9.640 -10.142 1.158 1.00 1.52 H new ATOM 1579 N LEU A 101 6.610 -6.875 -0.792 1.00 0.60 N ATOM 1580 CA LEU A 101 5.940 -6.160 -1.876 1.00 0.57 C ATOM 1581 C LEU A 101 6.978 -5.735 -2.931 1.00 0.47 C ATOM 1582 O LEU A 101 8.104 -5.347 -2.612 1.00 0.48 O ATOM 1583 CB LEU A 101 5.202 -4.915 -1.340 1.00 0.68 C ATOM 1584 CG LEU A 101 3.768 -5.096 -0.787 1.00 0.95 C ATOM 1585 CD1 LEU A 101 2.717 -5.041 -1.900 1.00 2.12 C ATOM 1586 CD2 LEU A 101 3.509 -6.311 0.112 1.00 2.51 C ATOM 0 H LEU A 101 7.296 -6.295 -0.309 1.00 0.60 H new ATOM 0 HA LEU A 101 5.206 -6.826 -2.329 1.00 0.57 H new ATOM 0 HB2 LEU A 101 5.812 -4.482 -0.547 1.00 0.68 H new ATOM 0 HB3 LEU A 101 5.158 -4.182 -2.145 1.00 0.68 H new ATOM 0 HG LEU A 101 3.672 -4.239 -0.120 1.00 0.95 H new ATOM 0 HD11 LEU A 101 1.724 -5.172 -1.470 1.00 2.12 H new ATOM 0 HD12 LEU A 101 2.770 -4.075 -2.403 1.00 2.12 H new ATOM 0 HD13 LEU A 101 2.908 -5.836 -2.621 1.00 2.12 H new ATOM 0 HD21 LEU A 101 2.466 -6.314 0.428 1.00 2.51 H new ATOM 0 HD22 LEU A 101 3.724 -7.225 -0.441 1.00 2.51 H new ATOM 0 HD23 LEU A 101 4.153 -6.258 0.990 1.00 2.51 H new ATOM 1598 N ASP A 102 6.537 -5.780 -4.182 1.00 0.53 N ATOM 1599 CA ASP A 102 7.157 -5.226 -5.391 1.00 0.48 C ATOM 1600 C ASP A 102 6.539 -3.849 -5.657 1.00 0.52 C ATOM 1601 O ASP A 102 5.356 -3.772 -5.986 1.00 0.75 O ATOM 1602 CB ASP A 102 6.795 -6.122 -6.584 1.00 0.66 C ATOM 1603 CG ASP A 102 7.548 -7.442 -6.720 1.00 0.95 C ATOM 1604 OD1 ASP A 102 8.792 -7.429 -6.768 1.00 1.67 O ATOM 1605 OD2 ASP A 102 6.863 -8.466 -6.944 1.00 1.94 O ATOM 0 H ASP A 102 5.657 -6.246 -4.402 1.00 0.53 H new ATOM 0 HA ASP A 102 8.237 -5.162 -5.262 1.00 0.48 H new ATOM 0 HB2 ASP A 102 5.730 -6.345 -6.527 1.00 0.66 H new ATOM 0 HB3 ASP A 102 6.952 -5.548 -7.497 1.00 0.66 H new ATOM 1610 N LEU A 103 7.314 -2.774 -5.539 1.00 0.55 N ATOM 1611 CA LEU A 103 6.872 -1.406 -5.771 1.00 0.68 C ATOM 1612 C LEU A 103 7.022 -1.108 -7.269 1.00 0.66 C ATOM 1613 O LEU A 103 8.144 -1.084 -7.778 1.00 0.72 O ATOM 1614 CB LEU A 103 7.747 -0.493 -4.894 1.00 0.81 C ATOM 1615 CG LEU A 103 7.445 -0.485 -3.377 1.00 0.95 C ATOM 1616 CD1 LEU A 103 7.364 -1.855 -2.683 1.00 0.89 C ATOM 1617 CD2 LEU A 103 8.538 0.328 -2.667 1.00 1.63 C ATOM 0 H LEU A 103 8.296 -2.835 -5.271 1.00 0.55 H new ATOM 0 HA LEU A 103 5.828 -1.242 -5.505 1.00 0.68 H new ATOM 0 HB2 LEU A 103 8.788 -0.786 -5.032 1.00 0.81 H new ATOM 0 HB3 LEU A 103 7.651 0.528 -5.265 1.00 0.81 H new ATOM 0 HG LEU A 103 6.446 -0.056 -3.298 1.00 0.95 H new ATOM 0 HD11 LEU A 103 7.148 -1.714 -1.624 1.00 0.89 H new ATOM 0 HD12 LEU A 103 6.571 -2.448 -3.140 1.00 0.89 H new ATOM 0 HD13 LEU A 103 8.315 -2.375 -2.793 1.00 0.89 H new ATOM 0 HD21 LEU A 103 8.341 0.344 -1.595 1.00 1.63 H new ATOM 0 HD22 LEU A 103 9.510 -0.131 -2.850 1.00 1.63 H new ATOM 0 HD23 LEU A 103 8.540 1.348 -3.051 1.00 1.63 H new ATOM 1629 N LEU A 104 5.905 -0.932 -7.992 1.00 0.60 N ATOM 1630 CA LEU A 104 5.912 -0.763 -9.448 1.00 0.57 C ATOM 1631 C LEU A 104 5.891 0.719 -9.820 1.00 0.55 C ATOM 1632 O LEU A 104 4.870 1.406 -9.701 1.00 0.47 O ATOM 1633 CB LEU A 104 4.735 -1.524 -10.088 1.00 0.58 C ATOM 1634 CG LEU A 104 4.694 -3.040 -9.810 1.00 0.60 C ATOM 1635 CD1 LEU A 104 3.501 -3.645 -10.563 1.00 0.70 C ATOM 1636 CD2 LEU A 104 5.984 -3.761 -10.227 1.00 0.65 C ATOM 0 H LEU A 104 4.972 -0.903 -7.580 1.00 0.60 H new ATOM 0 HA LEU A 104 6.835 -1.188 -9.843 1.00 0.57 H new ATOM 0 HB2 LEU A 104 3.804 -1.082 -9.733 1.00 0.58 H new ATOM 0 HB3 LEU A 104 4.770 -1.371 -11.167 1.00 0.58 H new ATOM 0 HG LEU A 104 4.592 -3.177 -8.733 1.00 0.60 H new ATOM 0 HD11 LEU A 104 3.459 -4.718 -10.376 1.00 0.70 H new ATOM 0 HD12 LEU A 104 2.578 -3.180 -10.217 1.00 0.70 H new ATOM 0 HD13 LEU A 104 3.618 -3.467 -11.632 1.00 0.70 H new ATOM 0 HD21 LEU A 104 5.894 -4.825 -10.006 1.00 0.65 H new ATOM 0 HD22 LEU A 104 6.148 -3.625 -11.296 1.00 0.65 H new ATOM 0 HD23 LEU A 104 6.827 -3.346 -9.675 1.00 0.65 H new ATOM 1648 N PHE A 105 7.036 1.213 -10.279 1.00 0.68 N ATOM 1649 CA PHE A 105 7.260 2.605 -10.626 1.00 0.70 C ATOM 1650 C PHE A 105 7.125 2.848 -12.133 1.00 0.67 C ATOM 1651 O PHE A 105 7.790 2.203 -12.946 1.00 0.83 O ATOM 1652 CB PHE A 105 8.648 2.996 -10.127 1.00 0.73 C ATOM 1653 CG PHE A 105 8.755 2.947 -8.618 1.00 0.73 C ATOM 1654 CD1 PHE A 105 8.091 3.918 -7.848 1.00 1.80 C ATOM 1655 CD2 PHE A 105 9.489 1.927 -7.980 1.00 1.96 C ATOM 1656 CE1 PHE A 105 8.229 3.917 -6.454 1.00 1.80 C ATOM 1657 CE2 PHE A 105 9.631 1.935 -6.587 1.00 1.97 C ATOM 1658 CZ PHE A 105 9.027 2.946 -5.823 1.00 0.77 C ATOM 0 H PHE A 105 7.861 0.631 -10.424 1.00 0.68 H new ATOM 0 HA PHE A 105 6.500 3.225 -10.150 1.00 0.70 H new ATOM 0 HB2 PHE A 105 9.389 2.326 -10.563 1.00 0.73 H new ATOM 0 HB3 PHE A 105 8.885 4.002 -10.473 1.00 0.73 H new ATOM 0 HD1 PHE A 105 7.476 4.663 -8.330 1.00 1.80 H new ATOM 0 HD2 PHE A 105 9.942 1.140 -8.565 1.00 1.96 H new ATOM 0 HE1 PHE A 105 7.721 4.664 -5.862 1.00 1.80 H new ATOM 0 HE2 PHE A 105 10.206 1.162 -6.099 1.00 1.97 H new ATOM 0 HZ PHE A 105 9.175 2.978 -4.754 1.00 0.77 H new ATOM 1668 N ALA A 106 6.277 3.822 -12.486 1.00 0.65 N ATOM 1669 CA ALA A 106 5.980 4.286 -13.844 1.00 0.71 C ATOM 1670 C ALA A 106 5.763 3.126 -14.839 1.00 1.83 C ATOM 1671 O ALA A 106 6.277 3.139 -15.956 1.00 2.52 O ATOM 1672 CB ALA A 106 7.048 5.307 -14.261 1.00 1.43 C ATOM 0 H ALA A 106 5.747 4.339 -11.785 1.00 0.65 H new ATOM 0 HA ALA A 106 5.018 4.798 -13.857 1.00 0.71 H new ATOM 0 HB1 ALA A 106 6.839 5.661 -15.271 1.00 1.43 H new ATOM 0 HB2 ALA A 106 7.034 6.151 -13.571 1.00 1.43 H new ATOM 0 HB3 ALA A 106 8.031 4.836 -14.238 1.00 1.43 H new ATOM 1678 N GLY A 107 5.049 2.088 -14.380 1.00 3.05 N ATOM 1679 CA GLY A 107 4.874 0.813 -15.069 1.00 4.47 C ATOM 1680 C GLY A 107 5.922 -0.206 -14.632 1.00 4.46 C ATOM 1681 O GLY A 107 5.706 -0.955 -13.683 1.00 5.99 O ATOM 0 H GLY A 107 4.562 2.121 -13.485 1.00 3.05 H new ATOM 0 HA2 GLY A 107 3.877 0.422 -14.865 1.00 4.47 H new ATOM 0 HA3 GLY A 107 4.942 0.968 -16.146 1.00 4.47 H new ATOM 1685 N GLY A 108 7.026 -0.269 -15.381 1.00 2.90 N ATOM 1686 CA GLY A 108 7.939 -1.420 -15.388 1.00 3.07 C ATOM 1687 C GLY A 108 9.142 -1.356 -14.448 1.00 2.50 C ATOM 1688 O GLY A 108 9.860 -2.351 -14.340 1.00 3.08 O ATOM 0 H GLY A 108 7.316 0.483 -16.006 1.00 2.90 H new ATOM 0 HA2 GLY A 108 7.363 -2.311 -15.140 1.00 3.07 H new ATOM 0 HA3 GLY A 108 8.310 -1.552 -16.404 1.00 3.07 H new ATOM 1692 N LYS A 109 9.421 -0.244 -13.756 1.00 1.47 N ATOM 1693 CA LYS A 109 10.546 -0.223 -12.811 1.00 1.06 C ATOM 1694 C LYS A 109 10.137 -0.834 -11.475 1.00 0.85 C ATOM 1695 O LYS A 109 9.504 -0.185 -10.653 1.00 1.21 O ATOM 1696 CB LYS A 109 11.117 1.186 -12.653 1.00 1.00 C ATOM 1697 CG LYS A 109 12.045 1.481 -13.828 1.00 1.65 C ATOM 1698 CD LYS A 109 12.448 2.963 -13.852 1.00 1.85 C ATOM 1699 CE LYS A 109 13.328 3.325 -15.060 1.00 2.83 C ATOM 1700 NZ LYS A 109 14.687 2.734 -14.973 1.00 4.21 N ATOM 0 H LYS A 109 8.900 0.630 -13.828 1.00 1.47 H new ATOM 0 HA LYS A 109 11.348 -0.838 -13.219 1.00 1.06 H new ATOM 0 HB2 LYS A 109 10.310 1.918 -12.618 1.00 1.00 H new ATOM 0 HB3 LYS A 109 11.662 1.268 -11.713 1.00 1.00 H new ATOM 0 HG2 LYS A 109 12.937 0.859 -13.757 1.00 1.65 H new ATOM 0 HG3 LYS A 109 11.549 1.220 -14.763 1.00 1.65 H new ATOM 0 HD2 LYS A 109 11.549 3.579 -13.867 1.00 1.85 H new ATOM 0 HD3 LYS A 109 12.984 3.203 -12.934 1.00 1.85 H new ATOM 0 HE2 LYS A 109 12.844 2.981 -15.974 1.00 2.83 H new ATOM 0 HE3 LYS A 109 13.411 4.409 -15.132 1.00 2.83 H new ATOM 0 HZ1 LYS A 109 15.239 3.008 -15.811 1.00 4.21 H new ATOM 0 HZ2 LYS A 109 15.163 3.082 -14.116 1.00 4.21 H new ATOM 0 HZ3 LYS A 109 14.613 1.697 -14.931 1.00 4.21 H new ATOM 1714 N VAL A 110 10.524 -2.086 -11.285 1.00 1.02 N ATOM 1715 CA VAL A 110 10.210 -2.875 -10.087 1.00 0.90 C ATOM 1716 C VAL A 110 11.330 -2.826 -9.040 1.00 0.84 C ATOM 1717 O VAL A 110 12.509 -2.944 -9.374 1.00 1.02 O ATOM 1718 CB VAL A 110 9.810 -4.328 -10.442 1.00 1.02 C ATOM 1719 CG1 VAL A 110 10.908 -5.104 -11.191 1.00 1.76 C ATOM 1720 CG2 VAL A 110 9.359 -5.124 -9.206 1.00 2.46 C ATOM 0 H VAL A 110 11.078 -2.600 -11.970 1.00 1.02 H new ATOM 0 HA VAL A 110 9.340 -2.407 -9.627 1.00 0.90 H new ATOM 0 HB VAL A 110 8.965 -4.224 -11.123 1.00 1.02 H new ATOM 0 HG11 VAL A 110 10.558 -6.113 -11.407 1.00 1.76 H new ATOM 0 HG12 VAL A 110 11.141 -4.594 -12.125 1.00 1.76 H new ATOM 0 HG13 VAL A 110 11.804 -5.155 -10.572 1.00 1.76 H new ATOM 0 HG21 VAL A 110 9.088 -6.137 -9.504 1.00 2.46 H new ATOM 0 HG22 VAL A 110 10.173 -5.164 -8.482 1.00 2.46 H new ATOM 0 HG23 VAL A 110 8.495 -4.636 -8.754 1.00 2.46 H new ATOM 1730 N LEU A 111 10.934 -2.672 -7.773 1.00 0.70 N ATOM 1731 CA LEU A 111 11.788 -2.799 -6.588 1.00 0.77 C ATOM 1732 C LEU A 111 11.081 -3.659 -5.530 1.00 0.76 C ATOM 1733 O LEU A 111 10.061 -3.250 -4.979 1.00 0.90 O ATOM 1734 CB LEU A 111 12.091 -1.381 -6.061 1.00 0.87 C ATOM 1735 CG LEU A 111 12.898 -1.334 -4.747 1.00 1.30 C ATOM 1736 CD1 LEU A 111 14.293 -1.954 -4.905 1.00 2.53 C ATOM 1737 CD2 LEU A 111 13.016 0.119 -4.271 1.00 1.56 C ATOM 0 H LEU A 111 9.968 -2.446 -7.535 1.00 0.70 H new ATOM 0 HA LEU A 111 12.727 -3.294 -6.835 1.00 0.77 H new ATOM 0 HB2 LEU A 111 12.641 -0.834 -6.827 1.00 0.87 H new ATOM 0 HB3 LEU A 111 11.148 -0.856 -5.910 1.00 0.87 H new ATOM 0 HG LEU A 111 12.364 -1.926 -4.004 1.00 1.30 H new ATOM 0 HD11 LEU A 111 14.825 -1.899 -3.955 1.00 2.53 H new ATOM 0 HD12 LEU A 111 14.196 -2.997 -5.207 1.00 2.53 H new ATOM 0 HD13 LEU A 111 14.850 -1.407 -5.665 1.00 2.53 H new ATOM 0 HD21 LEU A 111 13.586 0.153 -3.343 1.00 1.56 H new ATOM 0 HD22 LEU A 111 13.526 0.711 -5.031 1.00 1.56 H new ATOM 0 HD23 LEU A 111 12.020 0.528 -4.100 1.00 1.56 H new ATOM 1749 N LYS A 112 11.617 -4.846 -5.222 1.00 1.04 N ATOM 1750 CA LYS A 112 11.033 -5.711 -4.186 1.00 1.09 C ATOM 1751 C LYS A 112 11.627 -5.410 -2.801 1.00 1.23 C ATOM 1752 O LYS A 112 12.841 -5.504 -2.632 1.00 1.72 O ATOM 1753 CB LYS A 112 11.184 -7.200 -4.557 1.00 1.36 C ATOM 1754 CG LYS A 112 10.150 -8.016 -3.760 1.00 1.79 C ATOM 1755 CD LYS A 112 10.159 -9.528 -4.024 1.00 2.00 C ATOM 1756 CE LYS A 112 11.437 -10.187 -3.484 1.00 1.87 C ATOM 1757 NZ LYS A 112 11.294 -11.656 -3.348 1.00 2.42 N ATOM 0 H LYS A 112 12.449 -5.229 -5.671 1.00 1.04 H new ATOM 0 HA LYS A 112 9.967 -5.491 -4.133 1.00 1.09 H new ATOM 0 HB2 LYS A 112 11.032 -7.340 -5.627 1.00 1.36 H new ATOM 0 HB3 LYS A 112 12.193 -7.545 -4.331 1.00 1.36 H new ATOM 0 HG2 LYS A 112 10.322 -7.849 -2.697 1.00 1.79 H new ATOM 0 HG3 LYS A 112 9.156 -7.631 -3.986 1.00 1.79 H new ATOM 0 HD2 LYS A 112 9.287 -9.985 -3.556 1.00 2.00 H new ATOM 0 HD3 LYS A 112 10.079 -9.712 -5.095 1.00 2.00 H new ATOM 0 HE2 LYS A 112 12.269 -9.965 -4.152 1.00 1.87 H new ATOM 0 HE3 LYS A 112 11.684 -9.756 -2.514 1.00 1.87 H new ATOM 0 HZ1 LYS A 112 12.201 -12.115 -3.567 1.00 2.42 H new ATOM 0 HZ2 LYS A 112 11.015 -11.889 -2.374 1.00 2.42 H new ATOM 0 HZ3 LYS A 112 10.566 -11.996 -4.008 1.00 2.42 H new ATOM 1771 N VAL A 113 10.788 -5.125 -1.807 1.00 0.95 N ATOM 1772 CA VAL A 113 11.221 -4.843 -0.423 1.00 1.15 C ATOM 1773 C VAL A 113 10.345 -5.591 0.582 1.00 0.76 C ATOM 1774 O VAL A 113 9.231 -5.992 0.250 1.00 0.69 O ATOM 1775 CB VAL A 113 11.261 -3.326 -0.103 1.00 1.65 C ATOM 1776 CG1 VAL A 113 12.237 -3.071 1.061 1.00 2.46 C ATOM 1777 CG2 VAL A 113 11.702 -2.461 -1.299 1.00 2.57 C ATOM 0 H VAL A 113 9.777 -5.081 -1.932 1.00 0.95 H new ATOM 0 HA VAL A 113 12.245 -5.206 -0.334 1.00 1.15 H new ATOM 0 HB VAL A 113 10.242 -3.040 0.156 1.00 1.65 H new ATOM 0 HG11 VAL A 113 12.265 -2.005 1.286 1.00 2.46 H new ATOM 0 HG12 VAL A 113 11.903 -3.619 1.942 1.00 2.46 H new ATOM 0 HG13 VAL A 113 13.235 -3.409 0.780 1.00 2.46 H new ATOM 0 HG21 VAL A 113 11.708 -1.411 -1.006 1.00 2.57 H new ATOM 0 HG22 VAL A 113 12.704 -2.756 -1.612 1.00 2.57 H new ATOM 0 HG23 VAL A 113 11.007 -2.603 -2.127 1.00 2.57 H new ATOM 1787 N VAL A 114 10.874 -5.800 1.788 1.00 0.95 N ATOM 1788 CA VAL A 114 10.273 -6.606 2.861 1.00 0.77 C ATOM 1789 C VAL A 114 9.688 -5.661 3.917 1.00 0.78 C ATOM 1790 O VAL A 114 10.240 -4.588 4.163 1.00 0.99 O ATOM 1791 CB VAL A 114 11.301 -7.570 3.513 1.00 0.95 C ATOM 1792 CG1 VAL A 114 10.592 -8.620 4.383 1.00 1.73 C ATOM 1793 CG2 VAL A 114 12.151 -8.304 2.455 1.00 1.80 C ATOM 0 H VAL A 114 11.771 -5.397 2.059 1.00 0.95 H new ATOM 0 HA VAL A 114 9.487 -7.226 2.429 1.00 0.77 H new ATOM 0 HB VAL A 114 11.956 -6.955 4.130 1.00 0.95 H new ATOM 0 HG11 VAL A 114 11.333 -9.284 4.829 1.00 1.73 H new ATOM 0 HG12 VAL A 114 10.031 -8.120 5.172 1.00 1.73 H new ATOM 0 HG13 VAL A 114 9.908 -9.202 3.766 1.00 1.73 H new ATOM 0 HG21 VAL A 114 12.857 -8.968 2.953 1.00 1.80 H new ATOM 0 HG22 VAL A 114 11.499 -8.888 1.806 1.00 1.80 H new ATOM 0 HG23 VAL A 114 12.698 -7.574 1.858 1.00 1.80 H new ATOM 1803 N LEU A 115 8.553 -6.050 4.501 1.00 0.73 N ATOM 1804 CA LEU A 115 7.793 -5.277 5.483 1.00 0.89 C ATOM 1805 C LEU A 115 7.054 -6.245 6.439 1.00 0.81 C ATOM 1806 O LEU A 115 6.526 -7.259 5.962 1.00 0.83 O ATOM 1807 CB LEU A 115 6.825 -4.291 4.795 1.00 1.23 C ATOM 1808 CG LEU A 115 5.928 -4.808 3.650 1.00 1.03 C ATOM 1809 CD1 LEU A 115 4.740 -3.852 3.475 1.00 1.88 C ATOM 1810 CD2 LEU A 115 6.682 -4.857 2.317 1.00 1.97 C ATOM 0 H LEU A 115 8.121 -6.950 4.293 1.00 0.73 H new ATOM 0 HA LEU A 115 8.482 -4.671 6.071 1.00 0.89 H new ATOM 0 HB2 LEU A 115 6.173 -3.877 5.564 1.00 1.23 H new ATOM 0 HB3 LEU A 115 7.418 -3.465 4.402 1.00 1.23 H new ATOM 0 HG LEU A 115 5.603 -5.814 3.913 1.00 1.03 H new ATOM 0 HD11 LEU A 115 4.101 -4.210 2.668 1.00 1.88 H new ATOM 0 HD12 LEU A 115 4.166 -3.811 4.401 1.00 1.88 H new ATOM 0 HD13 LEU A 115 5.108 -2.855 3.232 1.00 1.88 H new ATOM 0 HD21 LEU A 115 6.017 -5.226 1.536 1.00 1.97 H new ATOM 0 HD22 LEU A 115 7.027 -3.856 2.057 1.00 1.97 H new ATOM 0 HD23 LEU A 115 7.539 -5.524 2.408 1.00 1.97 H new ATOM 1822 N PRO A 116 6.969 -5.948 7.755 1.00 0.81 N ATOM 1823 CA PRO A 116 6.257 -6.765 8.739 1.00 0.82 C ATOM 1824 C PRO A 116 4.732 -6.767 8.554 1.00 0.80 C ATOM 1825 O PRO A 116 4.162 -5.835 7.985 1.00 0.85 O ATOM 1826 CB PRO A 116 6.657 -6.215 10.114 1.00 0.90 C ATOM 1827 CG PRO A 116 7.030 -4.766 9.819 1.00 0.92 C ATOM 1828 CD PRO A 116 7.670 -4.871 8.438 1.00 0.88 C ATOM 0 HA PRO A 116 6.538 -7.812 8.620 1.00 0.82 H new ATOM 0 HB2 PRO A 116 5.836 -6.281 10.828 1.00 0.90 H new ATOM 0 HB3 PRO A 116 7.495 -6.767 10.540 1.00 0.90 H new ATOM 0 HG2 PRO A 116 6.157 -4.114 9.814 1.00 0.92 H new ATOM 0 HG3 PRO A 116 7.723 -4.365 10.559 1.00 0.92 H new ATOM 0 HD2 PRO A 116 7.574 -3.933 7.891 1.00 0.88 H new ATOM 0 HD3 PRO A 116 8.736 -5.086 8.517 1.00 0.88 H new ATOM 1836 N VAL A 117 4.082 -7.807 9.088 1.00 0.82 N ATOM 1837 CA VAL A 117 2.622 -7.986 9.176 1.00 0.79 C ATOM 1838 C VAL A 117 2.191 -7.864 10.652 1.00 0.78 C ATOM 1839 O VAL A 117 2.887 -8.381 11.526 1.00 0.87 O ATOM 1840 CB VAL A 117 2.210 -9.366 8.605 1.00 0.88 C ATOM 1841 CG1 VAL A 117 0.683 -9.486 8.467 1.00 0.95 C ATOM 1842 CG2 VAL A 117 2.829 -9.648 7.222 1.00 0.99 C ATOM 0 H VAL A 117 4.587 -8.594 9.495 1.00 0.82 H new ATOM 0 HA VAL A 117 2.125 -7.216 8.586 1.00 0.79 H new ATOM 0 HB VAL A 117 2.587 -10.096 9.322 1.00 0.88 H new ATOM 0 HG11 VAL A 117 0.430 -10.467 8.064 1.00 0.95 H new ATOM 0 HG12 VAL A 117 0.219 -9.365 9.446 1.00 0.95 H new ATOM 0 HG13 VAL A 117 0.317 -8.711 7.794 1.00 0.95 H new ATOM 0 HG21 VAL A 117 2.506 -10.628 6.872 1.00 0.99 H new ATOM 0 HG22 VAL A 117 2.504 -8.885 6.515 1.00 0.99 H new ATOM 0 HG23 VAL A 117 3.916 -9.631 7.300 1.00 0.99 H new ATOM 1852 N GLU A 118 1.065 -7.206 10.964 1.00 0.91 N ATOM 1853 CA GLU A 118 0.668 -6.858 12.346 1.00 0.97 C ATOM 1854 C GLU A 118 -0.852 -6.790 12.562 1.00 1.17 C ATOM 1855 O GLU A 118 -1.625 -6.716 11.610 1.00 1.70 O ATOM 1856 CB GLU A 118 1.352 -5.551 12.790 1.00 1.16 C ATOM 1857 CG GLU A 118 0.918 -4.318 11.982 1.00 2.67 C ATOM 1858 CD GLU A 118 -0.131 -3.419 12.643 1.00 4.00 C ATOM 1859 OE1 GLU A 118 -0.063 -3.218 13.872 1.00 4.20 O ATOM 1860 OE2 GLU A 118 -0.969 -2.833 11.923 1.00 5.35 O ATOM 0 H GLU A 118 0.394 -6.895 10.261 1.00 0.91 H new ATOM 0 HA GLU A 118 1.013 -7.678 12.976 1.00 0.97 H new ATOM 0 HB2 GLU A 118 1.135 -5.378 13.844 1.00 1.16 H new ATOM 0 HB3 GLU A 118 2.432 -5.669 12.703 1.00 1.16 H new ATOM 0 HG2 GLU A 118 1.802 -3.717 11.771 1.00 2.67 H new ATOM 0 HG3 GLU A 118 0.526 -4.656 11.023 1.00 2.67 H new