USER MOD reduce.3.24.130724 H: found=0, std=0, add=739, rem=0, adj=31 USER MOD reduce.3.24.130724 removed 740 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 SER OG : rot 156:sc= 0.0291 USER MOD Set 1.2: A 48 THR OG1 : rot 142:sc= 0.0753 USER MOD Set 1.3: A 105 GLN : amide:sc= 0.0306 K(o=0.13,f=-1.5!) USER MOD Set 2.1: A 65 SER OG : rot 164:sc= -5.52! USER MOD Set 2.2: A 87 MET CE :methyl 152:sc= -2.05 (180deg=-3.46!) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 32 SER OG : rot 180:sc= 0 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 44 ASN :FLIP amide:sc= -1.25 F(o=-2.2,f=-1.2) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 SER OG : rot 150:sc= 0 USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 61 TYR OH : rot 165:sc= -0.02 USER MOD Single : A 68 HIS : no HD1:sc= -1.02 K(o=-1,f=-3.4!) USER MOD Single : A 69 TYR OH : rot 180:sc= -0.0019 USER MOD Single : A 73 SER OG : rot -37:sc= 0.151 USER MOD Single : A 75 THR OG1 : rot -110:sc= -1.16 USER MOD Single : A 76 LYS NZ :NH3+ -164:sc=-0.00482 (180deg=-0.109) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 91 HIS : no HD1:sc= -0.636 X(o=-0.64,f=-0.32) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 96 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 GLN :FLIP amide:sc= -3.32! C(o=-8.5!,f=-3.3!) USER MOD Single : A 108 MET CE :methyl -140:sc= 0 (180deg=-0.0647) USER MOD Single : A 110 HIS :FLIP no HD1:sc=-0.000755 F(o=-1.2,f=-0.00076) USER MOD Single : A 114 SER OG : rot 18:sc= -0.025 USER MOD Single : A 115 THR OG1 : rot 180:sc= 0 USER MOD Single : A 117 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 118 LYS NZ :NH3+ -166:sc= 0 (180deg=-0.117) USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 123 SER OG : rot 28:sc= 0.959 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 127 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 30 -21.638 15.450 -3.332 1.00 0.00 N ATOM 2 CA GLY A 30 -20.203 15.237 -3.282 1.00 0.00 C ATOM 3 C GLY A 30 -19.443 16.192 -4.181 1.00 0.00 C ATOM 4 O GLY A 30 -19.973 16.662 -5.188 1.00 0.00 O ATOM 0 HA2 GLY A 30 -19.857 15.356 -2.255 1.00 0.00 H new ATOM 0 HA3 GLY A 30 -19.981 14.211 -3.576 1.00 0.00 H new ATOM 8 N SER A 31 -18.198 16.481 -3.817 1.00 0.00 N ATOM 9 CA SER A 31 -17.365 17.390 -4.595 1.00 0.00 C ATOM 10 C SER A 31 -16.044 16.728 -4.974 1.00 0.00 C ATOM 11 O SER A 31 -15.555 15.845 -4.268 1.00 0.00 O ATOM 12 CB SER A 31 -17.098 18.673 -3.805 1.00 0.00 C ATOM 13 OG SER A 31 -16.380 18.398 -2.614 1.00 0.00 O ATOM 0 H SER A 31 -17.744 16.099 -2.988 1.00 0.00 H new ATOM 0 HA SER A 31 -17.901 17.640 -5.511 1.00 0.00 H new ATOM 0 HB2 SER A 31 -16.533 19.372 -4.421 1.00 0.00 H new ATOM 0 HB3 SER A 31 -18.044 19.157 -3.560 1.00 0.00 H new ATOM 0 HG SER A 31 -16.220 19.234 -2.128 1.00 0.00 H new ATOM 19 N SER A 32 -15.472 17.160 -6.093 1.00 0.00 N ATOM 20 CA SER A 32 -14.209 16.607 -6.568 1.00 0.00 C ATOM 21 C SER A 32 -13.161 16.615 -5.460 1.00 0.00 C ATOM 22 O SER A 32 -12.567 15.585 -5.145 1.00 0.00 O ATOM 23 CB SER A 32 -13.701 17.403 -7.772 1.00 0.00 C ATOM 24 OG SER A 32 -12.595 16.758 -8.379 1.00 0.00 O ATOM 0 H SER A 32 -15.863 17.891 -6.688 1.00 0.00 H new ATOM 0 HA SER A 32 -14.384 15.575 -6.871 1.00 0.00 H new ATOM 0 HB2 SER A 32 -14.504 17.519 -8.501 1.00 0.00 H new ATOM 0 HB3 SER A 32 -13.412 18.405 -7.454 1.00 0.00 H new ATOM 0 HG SER A 32 -12.290 17.285 -9.147 1.00 0.00 H new ATOM 30 N GLY A 33 -12.939 17.786 -4.872 1.00 0.00 N ATOM 31 CA GLY A 33 -11.962 17.908 -3.806 1.00 0.00 C ATOM 32 C GLY A 33 -11.217 19.227 -3.850 1.00 0.00 C ATOM 33 O GLY A 33 -11.420 20.033 -4.758 1.00 0.00 O ATOM 0 H GLY A 33 -13.418 18.653 -5.115 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -12.465 17.810 -2.844 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -11.247 17.088 -3.877 1.00 0.00 H new ATOM 37 N SER A 34 -10.352 19.449 -2.865 1.00 0.00 N ATOM 38 CA SER A 34 -9.577 20.683 -2.792 1.00 0.00 C ATOM 39 C SER A 34 -8.085 20.382 -2.687 1.00 0.00 C ATOM 40 O SER A 34 -7.679 19.422 -2.032 1.00 0.00 O ATOM 41 CB SER A 34 -10.025 21.521 -1.593 1.00 0.00 C ATOM 42 OG SER A 34 -11.143 22.326 -1.923 1.00 0.00 O ATOM 0 H SER A 34 -10.170 18.791 -2.107 1.00 0.00 H new ATOM 0 HA SER A 34 -9.753 21.248 -3.707 1.00 0.00 H new ATOM 0 HB2 SER A 34 -10.279 20.864 -0.761 1.00 0.00 H new ATOM 0 HB3 SER A 34 -9.203 22.154 -1.260 1.00 0.00 H new ATOM 0 HG SER A 34 -11.411 22.850 -1.140 1.00 0.00 H new ATOM 48 N SER A 35 -7.274 21.209 -3.339 1.00 0.00 N ATOM 49 CA SER A 35 -5.827 21.031 -3.323 1.00 0.00 C ATOM 50 C SER A 35 -5.256 21.345 -1.944 1.00 0.00 C ATOM 51 O SER A 35 -5.895 22.013 -1.132 1.00 0.00 O ATOM 52 CB SER A 35 -5.170 21.926 -4.376 1.00 0.00 C ATOM 53 OG SER A 35 -5.228 23.289 -3.994 1.00 0.00 O ATOM 0 H SER A 35 -7.595 22.009 -3.885 1.00 0.00 H new ATOM 0 HA SER A 35 -5.611 19.988 -3.557 1.00 0.00 H new ATOM 0 HB2 SER A 35 -4.131 21.628 -4.514 1.00 0.00 H new ATOM 0 HB3 SER A 35 -5.670 21.792 -5.335 1.00 0.00 H new ATOM 0 HG SER A 35 -4.800 23.840 -4.682 1.00 0.00 H new ATOM 59 N GLY A 36 -4.045 20.858 -1.686 1.00 0.00 N ATOM 60 CA GLY A 36 -3.407 21.097 -0.405 1.00 0.00 C ATOM 61 C GLY A 36 -2.209 20.197 -0.178 1.00 0.00 C ATOM 62 O GLY A 36 -1.071 20.666 -0.132 1.00 0.00 O ATOM 0 H GLY A 36 -3.495 20.303 -2.342 1.00 0.00 H new ATOM 0 HA2 GLY A 36 -3.091 22.139 -0.349 1.00 0.00 H new ATOM 0 HA3 GLY A 36 -4.132 20.940 0.394 1.00 0.00 H new ATOM 66 N SER A 37 -2.463 18.900 -0.033 1.00 0.00 N ATOM 67 CA SER A 37 -1.397 17.933 0.197 1.00 0.00 C ATOM 68 C SER A 37 -1.752 16.578 -0.409 1.00 0.00 C ATOM 69 O SER A 37 -2.883 16.109 -0.287 1.00 0.00 O ATOM 70 CB SER A 37 -1.132 17.780 1.696 1.00 0.00 C ATOM 71 OG SER A 37 -2.278 17.290 2.369 1.00 0.00 O ATOM 0 H SER A 37 -3.398 18.495 -0.071 1.00 0.00 H new ATOM 0 HA SER A 37 -0.494 18.303 -0.288 1.00 0.00 H new ATOM 0 HB2 SER A 37 -0.295 17.099 1.853 1.00 0.00 H new ATOM 0 HB3 SER A 37 -0.843 18.743 2.117 1.00 0.00 H new ATOM 0 HG SER A 37 -2.082 17.199 3.325 1.00 0.00 H new ATOM 77 N GLY A 38 -0.777 15.955 -1.063 1.00 0.00 N ATOM 78 CA GLY A 38 -1.005 14.661 -1.678 1.00 0.00 C ATOM 79 C GLY A 38 -0.735 13.511 -0.728 1.00 0.00 C ATOM 80 O GLY A 38 -0.361 12.419 -1.155 1.00 0.00 O ATOM 0 H GLY A 38 0.167 16.324 -1.178 1.00 0.00 H new ATOM 0 HA2 GLY A 38 -2.036 14.605 -2.027 1.00 0.00 H new ATOM 0 HA3 GLY A 38 -0.365 14.561 -2.555 1.00 0.00 H new ATOM 84 N ARG A 39 -0.924 13.757 0.564 1.00 0.00 N ATOM 85 CA ARG A 39 -0.695 12.734 1.578 1.00 0.00 C ATOM 86 C ARG A 39 -1.825 11.708 1.579 1.00 0.00 C ATOM 87 O ARG A 39 -2.993 12.055 1.401 1.00 0.00 O ATOM 88 CB ARG A 39 -0.572 13.375 2.961 1.00 0.00 C ATOM 89 CG ARG A 39 0.161 12.507 3.972 1.00 0.00 C ATOM 90 CD ARG A 39 -0.083 12.984 5.395 1.00 0.00 C ATOM 91 NE ARG A 39 0.416 12.031 6.384 1.00 0.00 N ATOM 92 CZ ARG A 39 0.497 12.295 7.683 1.00 0.00 C ATOM 93 NH1 ARG A 39 0.114 13.477 8.148 1.00 0.00 N ATOM 94 NH2 ARG A 39 0.962 11.377 8.520 1.00 0.00 N ATOM 0 H ARG A 39 -1.235 14.655 0.934 1.00 0.00 H new ATOM 0 HA ARG A 39 0.237 12.222 1.339 1.00 0.00 H new ATOM 0 HB2 ARG A 39 -0.050 14.327 2.866 1.00 0.00 H new ATOM 0 HB3 ARG A 39 -1.570 13.596 3.340 1.00 0.00 H new ATOM 0 HG2 ARG A 39 -0.168 11.473 3.872 1.00 0.00 H new ATOM 0 HG3 ARG A 39 1.230 12.523 3.760 1.00 0.00 H new ATOM 0 HD2 ARG A 39 0.403 13.948 5.543 1.00 0.00 H new ATOM 0 HD3 ARG A 39 -1.151 13.139 5.547 1.00 0.00 H new ATOM 0 HE ARG A 39 0.719 11.113 6.059 1.00 0.00 H new ATOM 0 HH11 ARG A 39 -0.244 14.186 7.507 1.00 0.00 H new ATOM 0 HH12 ARG A 39 0.177 13.677 9.146 1.00 0.00 H new ATOM 0 HH21 ARG A 39 1.258 10.467 8.166 1.00 0.00 H new ATOM 0 HH22 ARG A 39 1.024 11.581 9.518 1.00 0.00 H new ATOM 108 N LEU A 40 -1.468 10.444 1.781 1.00 0.00 N ATOM 109 CA LEU A 40 -2.452 9.367 1.805 1.00 0.00 C ATOM 110 C LEU A 40 -2.027 8.263 2.769 1.00 0.00 C ATOM 111 O LEU A 40 -0.863 7.861 2.794 1.00 0.00 O ATOM 112 CB LEU A 40 -2.640 8.790 0.402 1.00 0.00 C ATOM 113 CG LEU A 40 -3.191 9.752 -0.652 1.00 0.00 C ATOM 114 CD1 LEU A 40 -3.151 9.113 -2.031 1.00 0.00 C ATOM 115 CD2 LEU A 40 -4.610 10.173 -0.298 1.00 0.00 C ATOM 0 H LEU A 40 -0.506 10.140 1.930 1.00 0.00 H new ATOM 0 HA LEU A 40 -3.399 9.781 2.150 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -1.678 8.414 0.054 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -3.311 7.934 0.470 1.00 0.00 H new ATOM 0 HG LEU A 40 -2.562 10.642 -0.669 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -3.547 9.812 -2.768 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -2.121 8.862 -2.286 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -3.756 8.206 -2.030 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.987 10.857 -1.058 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -5.250 9.292 -0.253 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.610 10.672 0.671 1.00 0.00 H new ATOM 127 N PHE A 41 -2.978 7.776 3.558 1.00 0.00 N ATOM 128 CA PHE A 41 -2.702 6.717 4.523 1.00 0.00 C ATOM 129 C PHE A 41 -2.899 5.342 3.892 1.00 0.00 C ATOM 130 O PHE A 41 -4.014 4.965 3.531 1.00 0.00 O ATOM 131 CB PHE A 41 -3.609 6.864 5.746 1.00 0.00 C ATOM 132 CG PHE A 41 -3.318 5.867 6.831 1.00 0.00 C ATOM 133 CD1 PHE A 41 -2.012 5.554 7.171 1.00 0.00 C ATOM 134 CD2 PHE A 41 -4.351 5.242 7.512 1.00 0.00 C ATOM 135 CE1 PHE A 41 -1.740 4.637 8.169 1.00 0.00 C ATOM 136 CE2 PHE A 41 -4.086 4.325 8.511 1.00 0.00 C ATOM 137 CZ PHE A 41 -2.779 4.022 8.839 1.00 0.00 C ATOM 0 H PHE A 41 -3.946 8.097 3.549 1.00 0.00 H new ATOM 0 HA PHE A 41 -1.662 6.808 4.837 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -3.501 7.871 6.150 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -4.648 6.756 5.433 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -1.196 6.032 6.650 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -5.375 5.475 7.259 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -0.717 4.402 8.424 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.900 3.846 9.035 1.00 0.00 H new ATOM 0 HZ PHE A 41 -2.570 3.305 9.619 1.00 0.00 H new ATOM 147 N VAL A 42 -1.806 4.595 3.761 1.00 0.00 N ATOM 148 CA VAL A 42 -1.857 3.262 3.174 1.00 0.00 C ATOM 149 C VAL A 42 -1.572 2.190 4.220 1.00 0.00 C ATOM 150 O VAL A 42 -0.784 2.402 5.142 1.00 0.00 O ATOM 151 CB VAL A 42 -0.849 3.118 2.019 1.00 0.00 C ATOM 152 CG1 VAL A 42 -1.104 1.834 1.244 1.00 0.00 C ATOM 153 CG2 VAL A 42 -0.918 4.327 1.099 1.00 0.00 C ATOM 0 H VAL A 42 -0.875 4.891 4.054 1.00 0.00 H new ATOM 0 HA VAL A 42 -2.866 3.126 2.784 1.00 0.00 H new ATOM 0 HB VAL A 42 0.155 3.067 2.440 1.00 0.00 H new ATOM 0 HG11 VAL A 42 -0.382 1.750 0.432 1.00 0.00 H new ATOM 0 HG12 VAL A 42 -1.000 0.979 1.912 1.00 0.00 H new ATOM 0 HG13 VAL A 42 -2.113 1.852 0.832 1.00 0.00 H new ATOM 0 HG21 VAL A 42 -0.199 4.209 0.288 1.00 0.00 H new ATOM 0 HG22 VAL A 42 -1.922 4.412 0.684 1.00 0.00 H new ATOM 0 HG23 VAL A 42 -0.682 5.228 1.664 1.00 0.00 H new ATOM 163 N ARG A 43 -2.216 1.037 4.070 1.00 0.00 N ATOM 164 CA ARG A 43 -2.032 -0.068 5.002 1.00 0.00 C ATOM 165 C ARG A 43 -2.161 -1.410 4.287 1.00 0.00 C ATOM 166 O ARG A 43 -2.492 -1.464 3.103 1.00 0.00 O ATOM 167 CB ARG A 43 -3.054 0.017 6.137 1.00 0.00 C ATOM 168 CG ARG A 43 -4.451 -0.425 5.733 1.00 0.00 C ATOM 169 CD ARG A 43 -5.375 -0.523 6.937 1.00 0.00 C ATOM 170 NE ARG A 43 -5.833 0.789 7.384 1.00 0.00 N ATOM 171 CZ ARG A 43 -6.432 1.001 8.550 1.00 0.00 C ATOM 172 NH1 ARG A 43 -6.644 -0.009 9.383 1.00 0.00 N ATOM 173 NH2 ARG A 43 -6.820 2.225 8.886 1.00 0.00 N ATOM 0 H ARG A 43 -2.870 0.844 3.311 1.00 0.00 H new ATOM 0 HA ARG A 43 -1.028 0.007 5.420 1.00 0.00 H new ATOM 0 HB2 ARG A 43 -2.713 -0.600 6.968 1.00 0.00 H new ATOM 0 HB3 ARG A 43 -3.098 1.044 6.499 1.00 0.00 H new ATOM 0 HG2 ARG A 43 -4.863 0.282 5.013 1.00 0.00 H new ATOM 0 HG3 ARG A 43 -4.398 -1.393 5.234 1.00 0.00 H new ATOM 0 HD2 ARG A 43 -6.237 -1.141 6.683 1.00 0.00 H new ATOM 0 HD3 ARG A 43 -4.854 -1.023 7.754 1.00 0.00 H new ATOM 0 HE ARG A 43 -5.685 1.587 6.766 1.00 0.00 H new ATOM 0 HH11 ARG A 43 -6.347 -0.951 9.129 1.00 0.00 H new ATOM 0 HH12 ARG A 43 -7.104 0.156 10.278 1.00 0.00 H new ATOM 0 HH21 ARG A 43 -6.658 3.004 8.248 1.00 0.00 H new ATOM 0 HH22 ARG A 43 -7.280 2.386 9.782 1.00 0.00 H new ATOM 187 N ASN A 44 -1.897 -2.490 5.014 1.00 0.00 N ATOM 188 CA ASN A 44 -1.982 -3.832 4.449 1.00 0.00 C ATOM 189 C ASN A 44 -0.848 -4.078 3.459 1.00 0.00 C ATOM 190 O ASN A 44 -1.084 -4.445 2.306 1.00 0.00 O ATOM 191 CB ASN A 44 -3.332 -4.031 3.756 1.00 0.00 C ATOM 192 CG ASN A 44 -3.774 -5.481 3.756 1.00 0.00 C ATOM 193 OD1 ASN A 44 -3.302 -6.244 2.778 1.00 0.00 O flip ATOM 194 ND2 ASN A 44 -4.531 -5.910 4.627 1.00 0.00 N flip ATOM 0 H ASN A 44 -1.622 -2.463 5.996 1.00 0.00 H new ATOM 0 HA ASN A 44 -1.890 -4.550 5.264 1.00 0.00 H new ATOM 0 HB2 ASN A 44 -4.087 -3.424 4.256 1.00 0.00 H new ATOM 0 HB3 ASN A 44 -3.266 -3.674 2.728 1.00 0.00 H new ATOM 0 HD21 ASN A 44 -4.870 -5.287 5.360 1.00 0.00 H new ATOM 0 HD22 ASN A 44 -4.820 -6.888 4.615 1.00 0.00 H new ATOM 201 N LEU A 45 0.383 -3.876 3.915 1.00 0.00 N ATOM 202 CA LEU A 45 1.555 -4.076 3.070 1.00 0.00 C ATOM 203 C LEU A 45 2.210 -5.423 3.360 1.00 0.00 C ATOM 204 O LEU A 45 2.543 -5.730 4.504 1.00 0.00 O ATOM 205 CB LEU A 45 2.564 -2.948 3.288 1.00 0.00 C ATOM 206 CG LEU A 45 2.400 -1.719 2.393 1.00 0.00 C ATOM 207 CD1 LEU A 45 2.205 -2.136 0.944 1.00 0.00 C ATOM 208 CD2 LEU A 45 1.232 -0.866 2.867 1.00 0.00 C ATOM 0 H LEU A 45 0.596 -3.574 4.866 1.00 0.00 H new ATOM 0 HA LEU A 45 1.229 -4.067 2.030 1.00 0.00 H new ATOM 0 HB2 LEU A 45 2.501 -2.627 4.328 1.00 0.00 H new ATOM 0 HB3 LEU A 45 3.566 -3.350 3.139 1.00 0.00 H new ATOM 0 HG LEU A 45 3.310 -1.122 2.458 1.00 0.00 H new ATOM 0 HD11 LEU A 45 2.090 -1.248 0.322 1.00 0.00 H new ATOM 0 HD12 LEU A 45 3.073 -2.704 0.609 1.00 0.00 H new ATOM 0 HD13 LEU A 45 1.312 -2.755 0.861 1.00 0.00 H new ATOM 0 HD21 LEU A 45 1.130 0.004 2.219 1.00 0.00 H new ATOM 0 HD22 LEU A 45 0.315 -1.454 2.832 1.00 0.00 H new ATOM 0 HD23 LEU A 45 1.414 -0.537 3.890 1.00 0.00 H new ATOM 220 N SER A 46 2.396 -6.222 2.314 1.00 0.00 N ATOM 221 CA SER A 46 3.010 -7.537 2.455 1.00 0.00 C ATOM 222 C SER A 46 4.464 -7.411 2.902 1.00 0.00 C ATOM 223 O SER A 46 5.229 -6.620 2.349 1.00 0.00 O ATOM 224 CB SER A 46 2.935 -8.303 1.133 1.00 0.00 C ATOM 225 OG SER A 46 2.917 -9.703 1.356 1.00 0.00 O ATOM 0 H SER A 46 2.130 -5.981 1.359 1.00 0.00 H new ATOM 0 HA SER A 46 2.460 -8.089 3.217 1.00 0.00 H new ATOM 0 HB2 SER A 46 2.039 -8.007 0.588 1.00 0.00 H new ATOM 0 HB3 SER A 46 3.789 -8.042 0.509 1.00 0.00 H new ATOM 0 HG SER A 46 2.491 -10.150 0.595 1.00 0.00 H new ATOM 231 N TYR A 47 4.837 -8.197 3.905 1.00 0.00 N ATOM 232 CA TYR A 47 6.198 -8.174 4.429 1.00 0.00 C ATOM 233 C TYR A 47 7.206 -8.544 3.345 1.00 0.00 C ATOM 234 O TYR A 47 8.415 -8.397 3.526 1.00 0.00 O ATOM 235 CB TYR A 47 6.328 -9.135 5.612 1.00 0.00 C ATOM 236 CG TYR A 47 5.066 -9.258 6.434 1.00 0.00 C ATOM 237 CD1 TYR A 47 4.520 -8.152 7.075 1.00 0.00 C ATOM 238 CD2 TYR A 47 4.418 -10.479 6.570 1.00 0.00 C ATOM 239 CE1 TYR A 47 3.367 -8.260 7.828 1.00 0.00 C ATOM 240 CE2 TYR A 47 3.263 -10.596 7.320 1.00 0.00 C ATOM 241 CZ TYR A 47 2.742 -9.484 7.948 1.00 0.00 C ATOM 242 OH TYR A 47 1.593 -9.595 8.696 1.00 0.00 O ATOM 0 H TYR A 47 4.216 -8.858 4.372 1.00 0.00 H new ATOM 0 HA TYR A 47 6.412 -7.160 4.768 1.00 0.00 H new ATOM 0 HB2 TYR A 47 6.606 -10.121 5.239 1.00 0.00 H new ATOM 0 HB3 TYR A 47 7.140 -8.797 6.256 1.00 0.00 H new ATOM 0 HD1 TYR A 47 5.006 -7.192 6.983 1.00 0.00 H new ATOM 0 HD2 TYR A 47 4.824 -11.352 6.081 1.00 0.00 H new ATOM 0 HE1 TYR A 47 2.957 -7.391 8.320 1.00 0.00 H new ATOM 0 HE2 TYR A 47 2.771 -11.553 7.414 1.00 0.00 H new ATOM 0 HH TYR A 47 1.279 -10.523 8.678 1.00 0.00 H new ATOM 252 N THR A 48 6.698 -9.026 2.214 1.00 0.00 N ATOM 253 CA THR A 48 7.551 -9.419 1.100 1.00 0.00 C ATOM 254 C THR A 48 7.889 -8.222 0.218 1.00 0.00 C ATOM 255 O THR A 48 8.740 -8.312 -0.667 1.00 0.00 O ATOM 256 CB THR A 48 6.884 -10.506 0.237 1.00 0.00 C ATOM 257 OG1 THR A 48 5.924 -9.912 -0.644 1.00 0.00 O ATOM 258 CG2 THR A 48 6.201 -11.547 1.111 1.00 0.00 C ATOM 0 H THR A 48 5.700 -9.153 2.046 1.00 0.00 H new ATOM 0 HA THR A 48 8.468 -9.821 1.531 1.00 0.00 H new ATOM 0 HB THR A 48 7.659 -10.999 -0.350 1.00 0.00 H new ATOM 0 HG1 THR A 48 5.946 -10.371 -1.510 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.737 -12.305 0.479 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.939 -12.018 1.760 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.437 -11.065 1.721 1.00 0.00 H new ATOM 266 N SER A 49 7.217 -7.102 0.465 1.00 0.00 N ATOM 267 CA SER A 49 7.444 -5.888 -0.309 1.00 0.00 C ATOM 268 C SER A 49 8.659 -5.128 0.215 1.00 0.00 C ATOM 269 O SER A 49 8.980 -5.192 1.402 1.00 0.00 O ATOM 270 CB SER A 49 6.207 -4.989 -0.262 1.00 0.00 C ATOM 271 OG SER A 49 6.479 -3.717 -0.824 1.00 0.00 O ATOM 0 H SER A 49 6.511 -7.011 1.195 1.00 0.00 H new ATOM 0 HA SER A 49 7.636 -6.177 -1.342 1.00 0.00 H new ATOM 0 HB2 SER A 49 5.389 -5.462 -0.805 1.00 0.00 H new ATOM 0 HB3 SER A 49 5.878 -4.871 0.771 1.00 0.00 H new ATOM 0 HG SER A 49 5.660 -3.353 -1.222 1.00 0.00 H new ATOM 277 N SER A 50 9.330 -4.409 -0.679 1.00 0.00 N ATOM 278 CA SER A 50 10.512 -3.639 -0.309 1.00 0.00 C ATOM 279 C SER A 50 10.297 -2.152 -0.575 1.00 0.00 C ATOM 280 O SER A 50 9.677 -1.772 -1.567 1.00 0.00 O ATOM 281 CB SER A 50 11.734 -4.136 -1.084 1.00 0.00 C ATOM 282 OG SER A 50 11.955 -5.517 -0.855 1.00 0.00 O ATOM 0 H SER A 50 9.075 -4.344 -1.665 1.00 0.00 H new ATOM 0 HA SER A 50 10.686 -3.778 0.758 1.00 0.00 H new ATOM 0 HB2 SER A 50 11.589 -3.959 -2.150 1.00 0.00 H new ATOM 0 HB3 SER A 50 12.615 -3.569 -0.783 1.00 0.00 H new ATOM 0 HG SER A 50 12.740 -5.811 -1.362 1.00 0.00 H new ATOM 288 N GLU A 51 10.815 -1.317 0.321 1.00 0.00 N ATOM 289 CA GLU A 51 10.679 0.129 0.183 1.00 0.00 C ATOM 290 C GLU A 51 10.720 0.542 -1.285 1.00 0.00 C ATOM 291 O GLU A 51 10.029 1.473 -1.698 1.00 0.00 O ATOM 292 CB GLU A 51 11.789 0.843 0.956 1.00 0.00 C ATOM 293 CG GLU A 51 11.552 2.335 1.123 1.00 0.00 C ATOM 294 CD GLU A 51 12.773 3.065 1.648 1.00 0.00 C ATOM 295 OE1 GLU A 51 13.773 3.158 0.905 1.00 0.00 O ATOM 296 OE2 GLU A 51 12.730 3.542 2.801 1.00 0.00 O ATOM 0 H GLU A 51 11.331 -1.616 1.148 1.00 0.00 H new ATOM 0 HA GLU A 51 9.713 0.419 0.597 1.00 0.00 H new ATOM 0 HB2 GLU A 51 11.886 0.387 1.941 1.00 0.00 H new ATOM 0 HB3 GLU A 51 12.736 0.690 0.439 1.00 0.00 H new ATOM 0 HG2 GLU A 51 11.263 2.763 0.163 1.00 0.00 H new ATOM 0 HG3 GLU A 51 10.718 2.492 1.807 1.00 0.00 H new ATOM 303 N GLU A 52 11.534 -0.158 -2.069 1.00 0.00 N ATOM 304 CA GLU A 52 11.666 0.137 -3.491 1.00 0.00 C ATOM 305 C GLU A 52 10.414 -0.288 -4.253 1.00 0.00 C ATOM 306 O GLU A 52 9.824 0.503 -4.989 1.00 0.00 O ATOM 307 CB GLU A 52 12.893 -0.570 -4.069 1.00 0.00 C ATOM 308 CG GLU A 52 13.348 -0.006 -5.405 1.00 0.00 C ATOM 309 CD GLU A 52 14.478 -0.806 -6.023 1.00 0.00 C ATOM 310 OE1 GLU A 52 14.307 -2.030 -6.207 1.00 0.00 O ATOM 311 OE2 GLU A 52 15.533 -0.209 -6.321 1.00 0.00 O ATOM 0 H GLU A 52 12.112 -0.933 -1.744 1.00 0.00 H new ATOM 0 HA GLU A 52 11.790 1.214 -3.603 1.00 0.00 H new ATOM 0 HB2 GLU A 52 13.714 -0.497 -3.355 1.00 0.00 H new ATOM 0 HB3 GLU A 52 12.668 -1.630 -4.189 1.00 0.00 H new ATOM 0 HG2 GLU A 52 12.503 0.013 -6.093 1.00 0.00 H new ATOM 0 HG3 GLU A 52 13.671 1.026 -5.268 1.00 0.00 H new ATOM 318 N ASP A 53 10.015 -1.542 -4.071 1.00 0.00 N ATOM 319 CA ASP A 53 8.833 -2.073 -4.740 1.00 0.00 C ATOM 320 C ASP A 53 7.678 -1.079 -4.673 1.00 0.00 C ATOM 321 O ASP A 53 7.001 -0.829 -5.671 1.00 0.00 O ATOM 322 CB ASP A 53 8.417 -3.402 -4.108 1.00 0.00 C ATOM 323 CG ASP A 53 9.428 -4.503 -4.356 1.00 0.00 C ATOM 324 OD1 ASP A 53 10.634 -4.263 -4.136 1.00 0.00 O ATOM 325 OD2 ASP A 53 9.014 -5.606 -4.770 1.00 0.00 O ATOM 0 H ASP A 53 10.493 -2.210 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 53 9.083 -2.241 -5.788 1.00 0.00 H new ATOM 0 HB2 ASP A 53 8.289 -3.266 -3.034 1.00 0.00 H new ATOM 0 HB3 ASP A 53 7.449 -3.704 -4.509 1.00 0.00 H new ATOM 330 N LEU A 54 7.457 -0.516 -3.490 1.00 0.00 N ATOM 331 CA LEU A 54 6.383 0.451 -3.292 1.00 0.00 C ATOM 332 C LEU A 54 6.618 1.706 -4.126 1.00 0.00 C ATOM 333 O LEU A 54 5.721 2.174 -4.826 1.00 0.00 O ATOM 334 CB LEU A 54 6.271 0.822 -1.812 1.00 0.00 C ATOM 335 CG LEU A 54 5.644 -0.234 -0.901 1.00 0.00 C ATOM 336 CD1 LEU A 54 5.868 0.121 0.561 1.00 0.00 C ATOM 337 CD2 LEU A 54 4.158 -0.378 -1.195 1.00 0.00 C ATOM 0 H LEU A 54 8.007 -0.712 -2.654 1.00 0.00 H new ATOM 0 HA LEU A 54 5.450 -0.009 -3.617 1.00 0.00 H new ATOM 0 HB2 LEU A 54 7.270 1.049 -1.438 1.00 0.00 H new ATOM 0 HB3 LEU A 54 5.685 1.737 -1.731 1.00 0.00 H new ATOM 0 HG LEU A 54 6.128 -1.190 -1.100 1.00 0.00 H new ATOM 0 HD11 LEU A 54 5.415 -0.642 1.194 1.00 0.00 H new ATOM 0 HD12 LEU A 54 6.938 0.172 0.763 1.00 0.00 H new ATOM 0 HD13 LEU A 54 5.412 1.088 0.775 1.00 0.00 H new ATOM 0 HD21 LEU A 54 3.729 -1.134 -0.537 1.00 0.00 H new ATOM 0 HD22 LEU A 54 3.659 0.576 -1.025 1.00 0.00 H new ATOM 0 HD23 LEU A 54 4.020 -0.680 -2.233 1.00 0.00 H new ATOM 349 N GLU A 55 7.831 2.243 -4.048 1.00 0.00 N ATOM 350 CA GLU A 55 8.184 3.444 -4.797 1.00 0.00 C ATOM 351 C GLU A 55 7.689 3.351 -6.237 1.00 0.00 C ATOM 352 O GLU A 55 7.112 4.299 -6.770 1.00 0.00 O ATOM 353 CB GLU A 55 9.700 3.655 -4.780 1.00 0.00 C ATOM 354 CG GLU A 55 10.225 4.190 -3.459 1.00 0.00 C ATOM 355 CD GLU A 55 11.698 4.546 -3.518 1.00 0.00 C ATOM 356 OE1 GLU A 55 12.526 3.624 -3.675 1.00 0.00 O ATOM 357 OE2 GLU A 55 12.022 5.747 -3.406 1.00 0.00 O ATOM 0 H GLU A 55 8.586 1.866 -3.474 1.00 0.00 H new ATOM 0 HA GLU A 55 7.700 4.296 -4.319 1.00 0.00 H new ATOM 0 HB2 GLU A 55 10.193 2.708 -5.000 1.00 0.00 H new ATOM 0 HB3 GLU A 55 9.971 4.348 -5.576 1.00 0.00 H new ATOM 0 HG2 GLU A 55 9.653 5.073 -3.176 1.00 0.00 H new ATOM 0 HG3 GLU A 55 10.066 3.444 -2.680 1.00 0.00 H new ATOM 364 N LYS A 56 7.918 2.202 -6.863 1.00 0.00 N ATOM 365 CA LYS A 56 7.496 1.982 -8.241 1.00 0.00 C ATOM 366 C LYS A 56 5.980 1.841 -8.329 1.00 0.00 C ATOM 367 O LYS A 56 5.346 2.389 -9.233 1.00 0.00 O ATOM 368 CB LYS A 56 8.169 0.731 -8.810 1.00 0.00 C ATOM 369 CG LYS A 56 9.630 0.936 -9.168 1.00 0.00 C ATOM 370 CD LYS A 56 10.263 -0.345 -9.686 1.00 0.00 C ATOM 371 CE LYS A 56 10.611 -1.294 -8.549 1.00 0.00 C ATOM 372 NZ LYS A 56 11.465 -2.423 -9.012 1.00 0.00 N ATOM 0 H LYS A 56 8.395 1.407 -6.437 1.00 0.00 H new ATOM 0 HA LYS A 56 7.798 2.848 -8.830 1.00 0.00 H new ATOM 0 HB2 LYS A 56 8.092 -0.076 -8.081 1.00 0.00 H new ATOM 0 HB3 LYS A 56 7.627 0.410 -9.700 1.00 0.00 H new ATOM 0 HG2 LYS A 56 9.714 1.716 -9.925 1.00 0.00 H new ATOM 0 HG3 LYS A 56 10.175 1.283 -8.290 1.00 0.00 H new ATOM 0 HD2 LYS A 56 9.578 -0.838 -10.376 1.00 0.00 H new ATOM 0 HD3 LYS A 56 11.164 -0.105 -10.250 1.00 0.00 H new ATOM 0 HE2 LYS A 56 11.129 -0.745 -7.763 1.00 0.00 H new ATOM 0 HE3 LYS A 56 9.694 -1.688 -8.111 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 11.681 -3.047 -8.209 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 10.960 -2.962 -9.744 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 12.351 -2.049 -9.407 1.00 0.00 H new ATOM 386 N LEU A 57 5.403 1.106 -7.386 1.00 0.00 N ATOM 387 CA LEU A 57 3.959 0.894 -7.356 1.00 0.00 C ATOM 388 C LEU A 57 3.213 2.223 -7.425 1.00 0.00 C ATOM 389 O LEU A 57 2.319 2.402 -8.253 1.00 0.00 O ATOM 390 CB LEU A 57 3.561 0.138 -6.088 1.00 0.00 C ATOM 391 CG LEU A 57 2.080 0.192 -5.711 1.00 0.00 C ATOM 392 CD1 LEU A 57 1.229 -0.444 -6.799 1.00 0.00 C ATOM 393 CD2 LEU A 57 1.844 -0.498 -4.375 1.00 0.00 C ATOM 0 H LEU A 57 5.912 0.646 -6.631 1.00 0.00 H new ATOM 0 HA LEU A 57 3.685 0.299 -8.227 1.00 0.00 H new ATOM 0 HB2 LEU A 57 3.847 -0.907 -6.207 1.00 0.00 H new ATOM 0 HB3 LEU A 57 4.142 0.534 -5.255 1.00 0.00 H new ATOM 0 HG LEU A 57 1.787 1.237 -5.614 1.00 0.00 H new ATOM 0 HD11 LEU A 57 0.178 -0.396 -6.513 1.00 0.00 H new ATOM 0 HD12 LEU A 57 1.375 0.093 -7.736 1.00 0.00 H new ATOM 0 HD13 LEU A 57 1.523 -1.486 -6.929 1.00 0.00 H new ATOM 0 HD21 LEU A 57 0.785 -0.450 -4.123 1.00 0.00 H new ATOM 0 HD22 LEU A 57 2.153 -1.541 -4.444 1.00 0.00 H new ATOM 0 HD23 LEU A 57 2.425 0.002 -3.600 1.00 0.00 H new ATOM 405 N PHE A 58 3.587 3.152 -6.552 1.00 0.00 N ATOM 406 CA PHE A 58 2.954 4.465 -6.514 1.00 0.00 C ATOM 407 C PHE A 58 3.515 5.370 -7.607 1.00 0.00 C ATOM 408 O PHE A 58 2.765 5.966 -8.380 1.00 0.00 O ATOM 409 CB PHE A 58 3.158 5.114 -5.144 1.00 0.00 C ATOM 410 CG PHE A 58 2.449 4.398 -4.030 1.00 0.00 C ATOM 411 CD1 PHE A 58 1.071 4.256 -4.047 1.00 0.00 C ATOM 412 CD2 PHE A 58 3.161 3.866 -2.966 1.00 0.00 C ATOM 413 CE1 PHE A 58 0.416 3.598 -3.022 1.00 0.00 C ATOM 414 CE2 PHE A 58 2.511 3.207 -1.940 1.00 0.00 C ATOM 415 CZ PHE A 58 1.137 3.072 -1.968 1.00 0.00 C ATOM 0 H PHE A 58 4.326 3.020 -5.861 1.00 0.00 H new ATOM 0 HA PHE A 58 1.886 4.332 -6.689 1.00 0.00 H new ATOM 0 HB2 PHE A 58 4.225 5.148 -4.922 1.00 0.00 H new ATOM 0 HB3 PHE A 58 2.807 6.145 -5.184 1.00 0.00 H new ATOM 0 HD1 PHE A 58 0.502 4.664 -4.870 1.00 0.00 H new ATOM 0 HD2 PHE A 58 4.236 3.968 -2.939 1.00 0.00 H new ATOM 0 HE1 PHE A 58 -0.659 3.496 -3.046 1.00 0.00 H new ATOM 0 HE2 PHE A 58 3.077 2.798 -1.117 1.00 0.00 H new ATOM 0 HZ PHE A 58 0.627 2.556 -1.168 1.00 0.00 H new ATOM 425 N SER A 59 4.839 5.469 -7.663 1.00 0.00 N ATOM 426 CA SER A 59 5.502 6.305 -8.658 1.00 0.00 C ATOM 427 C SER A 59 4.734 6.292 -9.976 1.00 0.00 C ATOM 428 O SER A 59 4.473 7.341 -10.565 1.00 0.00 O ATOM 429 CB SER A 59 6.936 5.825 -8.885 1.00 0.00 C ATOM 430 OG SER A 59 7.503 6.435 -10.031 1.00 0.00 O ATOM 0 H SER A 59 5.474 4.981 -7.031 1.00 0.00 H new ATOM 0 HA SER A 59 5.525 7.327 -8.281 1.00 0.00 H new ATOM 0 HB2 SER A 59 7.543 6.055 -8.009 1.00 0.00 H new ATOM 0 HB3 SER A 59 6.946 4.742 -9.004 1.00 0.00 H new ATOM 0 HG SER A 59 8.420 6.113 -10.153 1.00 0.00 H new ATOM 436 N ALA A 60 4.377 5.097 -10.434 1.00 0.00 N ATOM 437 CA ALA A 60 3.638 4.946 -11.681 1.00 0.00 C ATOM 438 C ALA A 60 2.609 6.059 -11.848 1.00 0.00 C ATOM 439 O ALA A 60 2.600 6.763 -12.857 1.00 0.00 O ATOM 440 CB ALA A 60 2.960 3.585 -11.732 1.00 0.00 C ATOM 0 H ALA A 60 4.588 4.219 -9.960 1.00 0.00 H new ATOM 0 HA ALA A 60 4.348 5.017 -12.505 1.00 0.00 H new ATOM 0 HB1 ALA A 60 2.412 3.486 -12.669 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.714 2.800 -11.668 1.00 0.00 H new ATOM 0 HB3 ALA A 60 2.268 3.492 -10.895 1.00 0.00 H new ATOM 446 N TYR A 61 1.743 6.211 -10.852 1.00 0.00 N ATOM 447 CA TYR A 61 0.707 7.236 -10.890 1.00 0.00 C ATOM 448 C TYR A 61 1.318 8.622 -11.071 1.00 0.00 C ATOM 449 O TYR A 61 0.774 9.466 -11.782 1.00 0.00 O ATOM 450 CB TYR A 61 -0.126 7.197 -9.607 1.00 0.00 C ATOM 451 CG TYR A 61 -0.829 5.878 -9.382 1.00 0.00 C ATOM 452 CD1 TYR A 61 -2.055 5.611 -9.980 1.00 0.00 C ATOM 453 CD2 TYR A 61 -0.270 4.900 -8.570 1.00 0.00 C ATOM 454 CE1 TYR A 61 -2.702 4.408 -9.777 1.00 0.00 C ATOM 455 CE2 TYR A 61 -0.909 3.693 -8.362 1.00 0.00 C ATOM 456 CZ TYR A 61 -2.125 3.452 -8.967 1.00 0.00 C ATOM 457 OH TYR A 61 -2.766 2.251 -8.761 1.00 0.00 O ATOM 0 H TYR A 61 1.738 5.637 -10.009 1.00 0.00 H new ATOM 0 HA TYR A 61 0.059 7.030 -11.742 1.00 0.00 H new ATOM 0 HB2 TYR A 61 0.523 7.403 -8.756 1.00 0.00 H new ATOM 0 HB3 TYR A 61 -0.869 7.994 -9.642 1.00 0.00 H new ATOM 0 HD1 TYR A 61 -2.510 6.357 -10.615 1.00 0.00 H new ATOM 0 HD2 TYR A 61 0.681 5.086 -8.093 1.00 0.00 H new ATOM 0 HE1 TYR A 61 -3.654 4.217 -10.250 1.00 0.00 H new ATOM 0 HE2 TYR A 61 -0.459 2.942 -7.729 1.00 0.00 H new ATOM 0 HH TYR A 61 -2.137 1.606 -8.375 1.00 0.00 H new ATOM 467 N GLY A 62 2.457 8.849 -10.422 1.00 0.00 N ATOM 468 CA GLY A 62 3.125 10.133 -10.524 1.00 0.00 C ATOM 469 C GLY A 62 4.333 10.231 -9.614 1.00 0.00 C ATOM 470 O GLY A 62 4.737 9.259 -8.975 1.00 0.00 O ATOM 0 H GLY A 62 2.928 8.167 -9.828 1.00 0.00 H new ATOM 0 HA2 GLY A 62 3.437 10.296 -11.556 1.00 0.00 H new ATOM 0 HA3 GLY A 62 2.421 10.927 -10.275 1.00 0.00 H new ATOM 474 N PRO A 63 4.933 11.429 -9.547 1.00 0.00 N ATOM 475 CA PRO A 63 6.112 11.679 -8.712 1.00 0.00 C ATOM 476 C PRO A 63 5.784 11.651 -7.223 1.00 0.00 C ATOM 477 O PRO A 63 4.800 12.246 -6.782 1.00 0.00 O ATOM 478 CB PRO A 63 6.556 13.081 -9.135 1.00 0.00 C ATOM 479 CG PRO A 63 5.318 13.731 -9.652 1.00 0.00 C ATOM 480 CD PRO A 63 4.506 12.632 -10.281 1.00 0.00 C ATOM 0 HA PRO A 63 6.878 10.915 -8.849 1.00 0.00 H new ATOM 0 HB2 PRO A 63 6.972 13.635 -8.294 1.00 0.00 H new ATOM 0 HB3 PRO A 63 7.330 13.037 -9.902 1.00 0.00 H new ATOM 0 HG2 PRO A 63 4.765 14.213 -8.846 1.00 0.00 H new ATOM 0 HG3 PRO A 63 5.559 14.505 -10.381 1.00 0.00 H new ATOM 0 HD2 PRO A 63 3.436 12.810 -10.172 1.00 0.00 H new ATOM 0 HD3 PRO A 63 4.708 12.544 -11.349 1.00 0.00 H new ATOM 488 N LEU A 64 6.614 10.956 -6.453 1.00 0.00 N ATOM 489 CA LEU A 64 6.413 10.851 -5.012 1.00 0.00 C ATOM 490 C LEU A 64 7.230 11.904 -4.269 1.00 0.00 C ATOM 491 O LEU A 64 8.450 11.976 -4.418 1.00 0.00 O ATOM 492 CB LEU A 64 6.797 9.453 -4.524 1.00 0.00 C ATOM 493 CG LEU A 64 6.071 8.286 -5.193 1.00 0.00 C ATOM 494 CD1 LEU A 64 6.704 6.963 -4.790 1.00 0.00 C ATOM 495 CD2 LEU A 64 4.592 8.302 -4.835 1.00 0.00 C ATOM 0 H LEU A 64 7.432 10.457 -6.802 1.00 0.00 H new ATOM 0 HA LEU A 64 5.357 11.024 -4.804 1.00 0.00 H new ATOM 0 HB2 LEU A 64 7.869 9.320 -4.671 1.00 0.00 H new ATOM 0 HB3 LEU A 64 6.614 9.402 -3.451 1.00 0.00 H new ATOM 0 HG LEU A 64 6.164 8.396 -6.273 1.00 0.00 H new ATOM 0 HD11 LEU A 64 6.174 6.143 -5.276 1.00 0.00 H new ATOM 0 HD12 LEU A 64 7.750 6.952 -5.097 1.00 0.00 H new ATOM 0 HD13 LEU A 64 6.642 6.845 -3.708 1.00 0.00 H new ATOM 0 HD21 LEU A 64 4.091 7.464 -5.320 1.00 0.00 H new ATOM 0 HD22 LEU A 64 4.478 8.216 -3.754 1.00 0.00 H new ATOM 0 HD23 LEU A 64 4.146 9.237 -5.174 1.00 0.00 H new ATOM 507 N SER A 65 6.550 12.717 -3.467 1.00 0.00 N ATOM 508 CA SER A 65 7.212 13.767 -2.702 1.00 0.00 C ATOM 509 C SER A 65 8.075 13.170 -1.595 1.00 0.00 C ATOM 510 O SER A 65 9.192 13.625 -1.351 1.00 0.00 O ATOM 511 CB SER A 65 6.177 14.719 -2.100 1.00 0.00 C ATOM 512 OG SER A 65 5.022 14.798 -2.917 1.00 0.00 O ATOM 0 H SER A 65 5.540 12.669 -3.330 1.00 0.00 H new ATOM 0 HA SER A 65 7.857 14.325 -3.381 1.00 0.00 H new ATOM 0 HB2 SER A 65 5.899 14.376 -1.103 1.00 0.00 H new ATOM 0 HB3 SER A 65 6.614 15.711 -1.985 1.00 0.00 H new ATOM 0 HG SER A 65 4.286 15.194 -2.405 1.00 0.00 H new ATOM 518 N GLU A 66 7.548 12.147 -0.929 1.00 0.00 N ATOM 519 CA GLU A 66 8.270 11.488 0.153 1.00 0.00 C ATOM 520 C GLU A 66 7.622 10.152 0.505 1.00 0.00 C ATOM 521 O GLU A 66 6.398 10.018 0.483 1.00 0.00 O ATOM 522 CB GLU A 66 8.313 12.388 1.390 1.00 0.00 C ATOM 523 CG GLU A 66 8.970 11.736 2.595 1.00 0.00 C ATOM 524 CD GLU A 66 10.482 11.849 2.567 1.00 0.00 C ATOM 525 OE1 GLU A 66 11.053 11.904 1.458 1.00 0.00 O ATOM 526 OE2 GLU A 66 11.094 11.883 3.655 1.00 0.00 O ATOM 0 H GLU A 66 6.625 11.757 -1.120 1.00 0.00 H new ATOM 0 HA GLU A 66 9.289 11.300 -0.186 1.00 0.00 H new ATOM 0 HB2 GLU A 66 8.851 13.303 1.144 1.00 0.00 H new ATOM 0 HB3 GLU A 66 7.296 12.677 1.654 1.00 0.00 H new ATOM 0 HG2 GLU A 66 8.591 12.200 3.506 1.00 0.00 H new ATOM 0 HG3 GLU A 66 8.689 10.684 2.633 1.00 0.00 H new ATOM 533 N LEU A 67 8.452 9.166 0.829 1.00 0.00 N ATOM 534 CA LEU A 67 7.961 7.839 1.185 1.00 0.00 C ATOM 535 C LEU A 67 8.344 7.483 2.618 1.00 0.00 C ATOM 536 O LEU A 67 9.444 7.798 3.074 1.00 0.00 O ATOM 537 CB LEU A 67 8.520 6.791 0.220 1.00 0.00 C ATOM 538 CG LEU A 67 7.903 5.395 0.315 1.00 0.00 C ATOM 539 CD1 LEU A 67 6.566 5.352 -0.407 1.00 0.00 C ATOM 540 CD2 LEU A 67 8.853 4.353 -0.256 1.00 0.00 C ATOM 0 H LEU A 67 9.467 9.260 0.852 1.00 0.00 H new ATOM 0 HA LEU A 67 6.874 7.849 1.111 1.00 0.00 H new ATOM 0 HB2 LEU A 67 8.388 7.156 -0.798 1.00 0.00 H new ATOM 0 HB3 LEU A 67 9.593 6.705 0.391 1.00 0.00 H new ATOM 0 HG LEU A 67 7.732 5.165 1.367 1.00 0.00 H new ATOM 0 HD11 LEU A 67 6.142 4.351 -0.329 1.00 0.00 H new ATOM 0 HD12 LEU A 67 5.884 6.071 0.047 1.00 0.00 H new ATOM 0 HD13 LEU A 67 6.712 5.603 -1.458 1.00 0.00 H new ATOM 0 HD21 LEU A 67 8.398 3.365 -0.180 1.00 0.00 H new ATOM 0 HD22 LEU A 67 9.055 4.580 -1.303 1.00 0.00 H new ATOM 0 HD23 LEU A 67 9.787 4.366 0.305 1.00 0.00 H new ATOM 552 N HIS A 68 7.431 6.823 3.323 1.00 0.00 N ATOM 553 CA HIS A 68 7.674 6.422 4.703 1.00 0.00 C ATOM 554 C HIS A 68 7.389 4.935 4.895 1.00 0.00 C ATOM 555 O HIS A 68 6.232 4.516 4.948 1.00 0.00 O ATOM 556 CB HIS A 68 6.808 7.246 5.657 1.00 0.00 C ATOM 557 CG HIS A 68 7.201 7.106 7.095 1.00 0.00 C ATOM 558 ND1 HIS A 68 7.683 5.931 7.633 1.00 0.00 N ATOM 559 CD2 HIS A 68 7.182 8.003 8.109 1.00 0.00 C ATOM 560 CE1 HIS A 68 7.942 6.111 8.916 1.00 0.00 C ATOM 561 NE2 HIS A 68 7.648 7.359 9.230 1.00 0.00 N ATOM 0 H HIS A 68 6.516 6.555 2.961 1.00 0.00 H new ATOM 0 HA HIS A 68 8.725 6.605 4.928 1.00 0.00 H new ATOM 0 HB2 HIS A 68 6.868 8.297 5.373 1.00 0.00 H new ATOM 0 HB3 HIS A 68 5.767 6.944 5.542 1.00 0.00 H new ATOM 0 HD2 HIS A 68 6.861 9.032 8.048 1.00 0.00 H new ATOM 0 HE1 HIS A 68 8.329 5.364 9.593 1.00 0.00 H new ATOM 0 HE2 HIS A 68 7.750 7.777 10.155 1.00 0.00 H new ATOM 570 N TYR A 69 8.450 4.143 4.998 1.00 0.00 N ATOM 571 CA TYR A 69 8.314 2.703 5.181 1.00 0.00 C ATOM 572 C TYR A 69 8.981 2.252 6.477 1.00 0.00 C ATOM 573 O TYR A 69 10.179 1.973 6.524 1.00 0.00 O ATOM 574 CB TYR A 69 8.925 1.957 3.993 1.00 0.00 C ATOM 575 CG TYR A 69 8.285 0.613 3.728 1.00 0.00 C ATOM 576 CD1 TYR A 69 6.903 0.472 3.705 1.00 0.00 C ATOM 577 CD2 TYR A 69 9.063 -0.517 3.503 1.00 0.00 C ATOM 578 CE1 TYR A 69 6.314 -0.754 3.464 1.00 0.00 C ATOM 579 CE2 TYR A 69 8.482 -1.746 3.260 1.00 0.00 C ATOM 580 CZ TYR A 69 7.108 -1.860 3.241 1.00 0.00 C ATOM 581 OH TYR A 69 6.526 -3.084 3.001 1.00 0.00 O ATOM 0 H TYR A 69 9.414 4.474 4.958 1.00 0.00 H new ATOM 0 HA TYR A 69 7.251 2.469 5.241 1.00 0.00 H new ATOM 0 HB2 TYR A 69 8.834 2.576 3.100 1.00 0.00 H new ATOM 0 HB3 TYR A 69 9.990 1.813 4.174 1.00 0.00 H new ATOM 0 HD1 TYR A 69 6.278 1.336 3.879 1.00 0.00 H new ATOM 0 HD2 TYR A 69 10.140 -0.432 3.519 1.00 0.00 H new ATOM 0 HE1 TYR A 69 5.238 -0.846 3.450 1.00 0.00 H new ATOM 0 HE2 TYR A 69 9.101 -2.614 3.086 1.00 0.00 H new ATOM 0 HH TYR A 69 7.225 -3.757 2.863 1.00 0.00 H new ATOM 591 N PRO A 70 8.188 2.179 7.555 1.00 0.00 N ATOM 592 CA PRO A 70 8.678 1.762 8.872 1.00 0.00 C ATOM 593 C PRO A 70 9.037 0.280 8.915 1.00 0.00 C ATOM 594 O PRO A 70 8.330 -0.555 8.351 1.00 0.00 O ATOM 595 CB PRO A 70 7.495 2.052 9.800 1.00 0.00 C ATOM 596 CG PRO A 70 6.298 1.995 8.915 1.00 0.00 C ATOM 597 CD PRO A 70 6.750 2.497 7.572 1.00 0.00 C ATOM 0 HA PRO A 70 9.593 2.285 9.150 1.00 0.00 H new ATOM 0 HB2 PRO A 70 7.431 1.316 10.601 1.00 0.00 H new ATOM 0 HB3 PRO A 70 7.592 3.030 10.272 1.00 0.00 H new ATOM 0 HG2 PRO A 70 5.915 0.977 8.842 1.00 0.00 H new ATOM 0 HG3 PRO A 70 5.491 2.612 9.310 1.00 0.00 H new ATOM 0 HD2 PRO A 70 6.219 2.002 6.759 1.00 0.00 H new ATOM 0 HD3 PRO A 70 6.574 3.567 7.463 1.00 0.00 H new ATOM 605 N ILE A 71 10.138 -0.038 9.587 1.00 0.00 N ATOM 606 CA ILE A 71 10.589 -1.419 9.703 1.00 0.00 C ATOM 607 C ILE A 71 11.109 -1.711 11.107 1.00 0.00 C ATOM 608 O ILE A 71 11.963 -0.991 11.626 1.00 0.00 O ATOM 609 CB ILE A 71 11.696 -1.738 8.681 1.00 0.00 C ATOM 610 CG1 ILE A 71 11.272 -1.290 7.281 1.00 0.00 C ATOM 611 CG2 ILE A 71 12.015 -3.225 8.693 1.00 0.00 C ATOM 612 CD1 ILE A 71 10.294 -2.232 6.615 1.00 0.00 C ATOM 0 H ILE A 71 10.734 0.642 10.059 1.00 0.00 H new ATOM 0 HA ILE A 71 9.725 -2.051 9.499 1.00 0.00 H new ATOM 0 HB ILE A 71 12.596 -1.191 8.960 1.00 0.00 H new ATOM 0 HG12 ILE A 71 10.822 -0.299 7.346 1.00 0.00 H new ATOM 0 HG13 ILE A 71 12.159 -1.197 6.654 1.00 0.00 H new ATOM 0 HG21 ILE A 71 12.799 -3.435 7.966 1.00 0.00 H new ATOM 0 HG22 ILE A 71 12.355 -3.516 9.687 1.00 0.00 H new ATOM 0 HG23 ILE A 71 11.120 -3.791 8.435 1.00 0.00 H new ATOM 0 HD11 ILE A 71 10.038 -1.851 5.626 1.00 0.00 H new ATOM 0 HD12 ILE A 71 10.748 -3.218 6.518 1.00 0.00 H new ATOM 0 HD13 ILE A 71 9.391 -2.306 7.220 1.00 0.00 H new ATOM 624 N ASP A 72 10.590 -2.771 11.715 1.00 0.00 N ATOM 625 CA ASP A 72 11.004 -3.161 13.058 1.00 0.00 C ATOM 626 C ASP A 72 12.521 -3.303 13.140 1.00 0.00 C ATOM 627 O ASP A 72 13.144 -3.919 12.275 1.00 0.00 O ATOM 628 CB ASP A 72 10.334 -4.476 13.460 1.00 0.00 C ATOM 629 CG ASP A 72 9.002 -4.259 14.150 1.00 0.00 C ATOM 630 OD1 ASP A 72 8.786 -3.155 14.690 1.00 0.00 O ATOM 631 OD2 ASP A 72 8.174 -5.195 14.151 1.00 0.00 O ATOM 0 H ASP A 72 9.882 -3.376 11.300 1.00 0.00 H new ATOM 0 HA ASP A 72 10.693 -2.377 13.749 1.00 0.00 H new ATOM 0 HB2 ASP A 72 10.184 -5.090 12.572 1.00 0.00 H new ATOM 0 HB3 ASP A 72 10.998 -5.031 14.123 1.00 0.00 H new ATOM 636 N SER A 73 13.109 -2.728 14.184 1.00 0.00 N ATOM 637 CA SER A 73 14.553 -2.786 14.376 1.00 0.00 C ATOM 638 C SER A 73 14.977 -4.156 14.897 1.00 0.00 C ATOM 639 O SER A 73 16.165 -4.419 15.090 1.00 0.00 O ATOM 640 CB SER A 73 15.004 -1.696 15.350 1.00 0.00 C ATOM 641 OG SER A 73 16.402 -1.484 15.267 1.00 0.00 O ATOM 0 H SER A 73 12.607 -2.217 14.910 1.00 0.00 H new ATOM 0 HA SER A 73 15.030 -2.620 13.410 1.00 0.00 H new ATOM 0 HB2 SER A 73 14.479 -0.767 15.129 1.00 0.00 H new ATOM 0 HB3 SER A 73 14.736 -1.980 16.368 1.00 0.00 H new ATOM 0 HG SER A 73 16.854 -2.340 15.116 1.00 0.00 H new ATOM 647 N LEU A 74 13.998 -5.025 15.123 1.00 0.00 N ATOM 648 CA LEU A 74 14.268 -6.369 15.622 1.00 0.00 C ATOM 649 C LEU A 74 14.099 -7.405 14.514 1.00 0.00 C ATOM 650 O LEU A 74 15.049 -8.098 14.148 1.00 0.00 O ATOM 651 CB LEU A 74 13.336 -6.698 16.789 1.00 0.00 C ATOM 652 CG LEU A 74 13.401 -5.750 17.987 1.00 0.00 C ATOM 653 CD1 LEU A 74 12.274 -6.047 18.965 1.00 0.00 C ATOM 654 CD2 LEU A 74 14.752 -5.858 18.680 1.00 0.00 C ATOM 0 H LEU A 74 13.010 -4.823 14.969 1.00 0.00 H new ATOM 0 HA LEU A 74 15.301 -6.400 15.970 1.00 0.00 H new ATOM 0 HB2 LEU A 74 12.312 -6.712 16.417 1.00 0.00 H new ATOM 0 HB3 LEU A 74 13.563 -7.706 17.136 1.00 0.00 H new ATOM 0 HG LEU A 74 13.281 -4.729 17.625 1.00 0.00 H new ATOM 0 HD11 LEU A 74 12.337 -5.363 19.811 1.00 0.00 H new ATOM 0 HD12 LEU A 74 11.314 -5.918 18.464 1.00 0.00 H new ATOM 0 HD13 LEU A 74 12.363 -7.073 19.321 1.00 0.00 H new ATOM 0 HD21 LEU A 74 14.780 -5.176 19.530 1.00 0.00 H new ATOM 0 HD22 LEU A 74 14.901 -6.880 19.029 1.00 0.00 H new ATOM 0 HD23 LEU A 74 15.543 -5.595 17.978 1.00 0.00 H new ATOM 666 N THR A 75 12.885 -7.504 13.983 1.00 0.00 N ATOM 667 CA THR A 75 12.592 -8.453 12.917 1.00 0.00 C ATOM 668 C THR A 75 13.038 -7.914 11.563 1.00 0.00 C ATOM 669 O THR A 75 13.060 -8.642 10.570 1.00 0.00 O ATOM 670 CB THR A 75 11.088 -8.783 12.856 1.00 0.00 C ATOM 671 OG1 THR A 75 10.380 -7.721 12.207 1.00 0.00 O ATOM 672 CG2 THR A 75 10.524 -8.997 14.253 1.00 0.00 C ATOM 0 H THR A 75 12.088 -6.938 14.274 1.00 0.00 H new ATOM 0 HA THR A 75 13.147 -9.363 13.143 1.00 0.00 H new ATOM 0 HB THR A 75 10.963 -9.704 12.286 1.00 0.00 H new ATOM 0 HG1 THR A 75 9.829 -7.246 12.864 1.00 0.00 H new ATOM 0 HG21 THR A 75 9.461 -9.229 14.185 1.00 0.00 H new ATOM 0 HG22 THR A 75 11.046 -9.825 14.733 1.00 0.00 H new ATOM 0 HG23 THR A 75 10.661 -8.091 14.843 1.00 0.00 H new ATOM 680 N LYS A 76 13.393 -6.635 11.529 1.00 0.00 N ATOM 681 CA LYS A 76 13.841 -5.997 10.296 1.00 0.00 C ATOM 682 C LYS A 76 12.756 -6.059 9.226 1.00 0.00 C ATOM 683 O LYS A 76 13.049 -6.096 8.031 1.00 0.00 O ATOM 684 CB LYS A 76 15.116 -6.671 9.783 1.00 0.00 C ATOM 685 CG LYS A 76 16.357 -6.312 10.582 1.00 0.00 C ATOM 686 CD LYS A 76 16.284 -6.853 12.000 1.00 0.00 C ATOM 687 CE LYS A 76 17.671 -7.070 12.586 1.00 0.00 C ATOM 688 NZ LYS A 76 18.345 -8.256 11.990 1.00 0.00 N ATOM 0 H LYS A 76 13.379 -6.019 12.342 1.00 0.00 H new ATOM 0 HA LYS A 76 14.053 -4.950 10.514 1.00 0.00 H new ATOM 0 HB2 LYS A 76 14.980 -7.752 9.805 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.271 -6.391 8.741 1.00 0.00 H new ATOM 0 HG2 LYS A 76 17.240 -6.713 10.084 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.471 -5.228 10.611 1.00 0.00 H new ATOM 0 HD2 LYS A 76 15.727 -6.157 12.628 1.00 0.00 H new ATOM 0 HD3 LYS A 76 15.735 -7.795 12.003 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.280 -6.182 12.416 1.00 0.00 H new ATOM 0 HE3 LYS A 76 17.593 -7.201 13.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 19.151 -8.533 12.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 17.670 -9.045 11.931 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 18.685 -8.019 11.036 1.00 0.00 H new ATOM 702 N LYS A 77 11.501 -6.066 9.663 1.00 0.00 N ATOM 703 CA LYS A 77 10.371 -6.120 8.744 1.00 0.00 C ATOM 704 C LYS A 77 9.324 -5.071 9.106 1.00 0.00 C ATOM 705 O LYS A 77 9.184 -4.673 10.263 1.00 0.00 O ATOM 706 CB LYS A 77 9.738 -7.513 8.761 1.00 0.00 C ATOM 707 CG LYS A 77 8.661 -7.680 9.819 1.00 0.00 C ATOM 708 CD LYS A 77 8.576 -9.117 10.306 1.00 0.00 C ATOM 709 CE LYS A 77 7.680 -9.238 11.529 1.00 0.00 C ATOM 710 NZ LYS A 77 7.646 -10.630 12.056 1.00 0.00 N ATOM 0 H LYS A 77 11.241 -6.035 10.649 1.00 0.00 H new ATOM 0 HA LYS A 77 10.741 -5.908 7.741 1.00 0.00 H new ATOM 0 HB2 LYS A 77 9.308 -7.719 7.781 1.00 0.00 H new ATOM 0 HB3 LYS A 77 10.518 -8.255 8.929 1.00 0.00 H new ATOM 0 HG2 LYS A 77 8.872 -7.021 10.661 1.00 0.00 H new ATOM 0 HG3 LYS A 77 7.698 -7.376 9.410 1.00 0.00 H new ATOM 0 HD2 LYS A 77 8.191 -9.751 9.507 1.00 0.00 H new ATOM 0 HD3 LYS A 77 9.575 -9.480 10.548 1.00 0.00 H new ATOM 0 HE2 LYS A 77 8.036 -8.563 12.308 1.00 0.00 H new ATOM 0 HE3 LYS A 77 6.669 -8.922 11.271 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 7.025 -10.671 12.889 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 7.283 -11.270 11.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 8.607 -10.923 12.326 1.00 0.00 H new ATOM 724 N PRO A 78 8.570 -4.613 8.096 1.00 0.00 N ATOM 725 CA PRO A 78 7.521 -3.605 8.285 1.00 0.00 C ATOM 726 C PRO A 78 6.327 -4.151 9.060 1.00 0.00 C ATOM 727 O PRO A 78 6.213 -5.357 9.279 1.00 0.00 O ATOM 728 CB PRO A 78 7.112 -3.247 6.854 1.00 0.00 C ATOM 729 CG PRO A 78 7.459 -4.451 6.048 1.00 0.00 C ATOM 730 CD PRO A 78 8.682 -5.043 6.692 1.00 0.00 C ATOM 0 HA PRO A 78 7.873 -2.754 8.868 1.00 0.00 H new ATOM 0 HB2 PRO A 78 6.047 -3.022 6.791 1.00 0.00 H new ATOM 0 HB3 PRO A 78 7.646 -2.365 6.499 1.00 0.00 H new ATOM 0 HG2 PRO A 78 6.637 -5.166 6.041 1.00 0.00 H new ATOM 0 HG3 PRO A 78 7.656 -4.182 5.010 1.00 0.00 H new ATOM 0 HD2 PRO A 78 8.696 -6.129 6.604 1.00 0.00 H new ATOM 0 HD3 PRO A 78 9.598 -4.674 6.230 1.00 0.00 H new ATOM 738 N LYS A 79 5.436 -3.255 9.473 1.00 0.00 N ATOM 739 CA LYS A 79 4.248 -3.645 10.222 1.00 0.00 C ATOM 740 C LYS A 79 3.050 -3.813 9.293 1.00 0.00 C ATOM 741 O LYS A 79 1.938 -4.087 9.742 1.00 0.00 O ATOM 742 CB LYS A 79 3.932 -2.603 11.297 1.00 0.00 C ATOM 743 CG LYS A 79 4.997 -2.499 12.375 1.00 0.00 C ATOM 744 CD LYS A 79 6.113 -1.552 11.968 1.00 0.00 C ATOM 745 CE LYS A 79 7.363 -1.770 12.807 1.00 0.00 C ATOM 746 NZ LYS A 79 8.293 -0.610 12.729 1.00 0.00 N ATOM 0 H LYS A 79 5.515 -2.253 9.301 1.00 0.00 H new ATOM 0 HA LYS A 79 4.450 -4.603 10.702 1.00 0.00 H new ATOM 0 HB2 LYS A 79 3.811 -1.629 10.823 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.978 -2.852 11.763 1.00 0.00 H new ATOM 0 HG2 LYS A 79 4.544 -2.151 13.303 1.00 0.00 H new ATOM 0 HG3 LYS A 79 5.412 -3.487 12.574 1.00 0.00 H new ATOM 0 HD2 LYS A 79 6.350 -1.699 10.914 1.00 0.00 H new ATOM 0 HD3 LYS A 79 5.775 -0.521 12.078 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.078 -1.938 13.846 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.876 -2.670 12.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 9.132 -0.798 13.314 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 8.585 -0.465 11.741 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 7.812 0.244 13.077 1.00 0.00 H new ATOM 760 N GLY A 80 3.285 -3.647 7.995 1.00 0.00 N ATOM 761 CA GLY A 80 2.216 -3.785 7.024 1.00 0.00 C ATOM 762 C GLY A 80 1.493 -2.477 6.767 1.00 0.00 C ATOM 763 O GLY A 80 0.307 -2.469 6.438 1.00 0.00 O ATOM 0 H GLY A 80 4.197 -3.419 7.599 1.00 0.00 H new ATOM 0 HA2 GLY A 80 2.627 -4.160 6.087 1.00 0.00 H new ATOM 0 HA3 GLY A 80 1.501 -4.528 7.378 1.00 0.00 H new ATOM 767 N PHE A 81 2.209 -1.368 6.920 1.00 0.00 N ATOM 768 CA PHE A 81 1.628 -0.048 6.705 1.00 0.00 C ATOM 769 C PHE A 81 2.698 0.957 6.289 1.00 0.00 C ATOM 770 O PHE A 81 3.867 0.819 6.649 1.00 0.00 O ATOM 771 CB PHE A 81 0.925 0.436 7.976 1.00 0.00 C ATOM 772 CG PHE A 81 1.839 1.146 8.933 1.00 0.00 C ATOM 773 CD1 PHE A 81 2.948 0.503 9.458 1.00 0.00 C ATOM 774 CD2 PHE A 81 1.590 2.457 9.307 1.00 0.00 C ATOM 775 CE1 PHE A 81 3.791 1.154 10.340 1.00 0.00 C ATOM 776 CE2 PHE A 81 2.429 3.113 10.188 1.00 0.00 C ATOM 777 CZ PHE A 81 3.531 2.461 10.704 1.00 0.00 C ATOM 0 H PHE A 81 3.192 -1.357 7.192 1.00 0.00 H new ATOM 0 HA PHE A 81 0.897 -0.127 5.900 1.00 0.00 H new ATOM 0 HB2 PHE A 81 0.111 1.106 7.699 1.00 0.00 H new ATOM 0 HB3 PHE A 81 0.476 -0.419 8.481 1.00 0.00 H new ATOM 0 HD1 PHE A 81 3.157 -0.518 9.175 1.00 0.00 H new ATOM 0 HD2 PHE A 81 0.730 2.972 8.905 1.00 0.00 H new ATOM 0 HE1 PHE A 81 4.652 0.641 10.744 1.00 0.00 H new ATOM 0 HE2 PHE A 81 2.223 4.134 10.472 1.00 0.00 H new ATOM 0 HZ PHE A 81 4.189 2.972 11.391 1.00 0.00 H new ATOM 787 N ALA A 82 2.290 1.966 5.527 1.00 0.00 N ATOM 788 CA ALA A 82 3.212 2.994 5.062 1.00 0.00 C ATOM 789 C ALA A 82 2.470 4.278 4.707 1.00 0.00 C ATOM 790 O ALA A 82 1.245 4.284 4.580 1.00 0.00 O ATOM 791 CB ALA A 82 4.003 2.491 3.864 1.00 0.00 C ATOM 0 H ALA A 82 1.326 2.093 5.218 1.00 0.00 H new ATOM 0 HA ALA A 82 3.905 3.218 5.873 1.00 0.00 H new ATOM 0 HB1 ALA A 82 4.688 3.269 3.527 1.00 0.00 H new ATOM 0 HB2 ALA A 82 4.572 1.606 4.149 1.00 0.00 H new ATOM 0 HB3 ALA A 82 3.317 2.237 3.056 1.00 0.00 H new ATOM 797 N PHE A 83 3.218 5.365 4.548 1.00 0.00 N ATOM 798 CA PHE A 83 2.631 6.655 4.210 1.00 0.00 C ATOM 799 C PHE A 83 3.242 7.212 2.927 1.00 0.00 C ATOM 800 O PHE A 83 4.447 7.451 2.853 1.00 0.00 O ATOM 801 CB PHE A 83 2.832 7.648 5.356 1.00 0.00 C ATOM 802 CG PHE A 83 1.875 7.450 6.496 1.00 0.00 C ATOM 803 CD1 PHE A 83 2.067 6.425 7.409 1.00 0.00 C ATOM 804 CD2 PHE A 83 0.783 8.288 6.656 1.00 0.00 C ATOM 805 CE1 PHE A 83 1.187 6.240 8.459 1.00 0.00 C ATOM 806 CE2 PHE A 83 -0.100 8.108 7.703 1.00 0.00 C ATOM 807 CZ PHE A 83 0.103 7.083 8.607 1.00 0.00 C ATOM 0 H PHE A 83 4.233 5.377 4.648 1.00 0.00 H new ATOM 0 HA PHE A 83 1.563 6.508 4.049 1.00 0.00 H new ATOM 0 HB2 PHE A 83 3.852 7.558 5.729 1.00 0.00 H new ATOM 0 HB3 PHE A 83 2.721 8.662 4.971 1.00 0.00 H new ATOM 0 HD1 PHE A 83 2.914 5.763 7.299 1.00 0.00 H new ATOM 0 HD2 PHE A 83 0.620 9.092 5.953 1.00 0.00 H new ATOM 0 HE1 PHE A 83 1.347 5.437 9.163 1.00 0.00 H new ATOM 0 HE2 PHE A 83 -0.948 8.768 7.815 1.00 0.00 H new ATOM 0 HZ PHE A 83 -0.585 6.941 9.428 1.00 0.00 H new ATOM 817 N VAL A 84 2.401 7.414 1.917 1.00 0.00 N ATOM 818 CA VAL A 84 2.858 7.942 0.637 1.00 0.00 C ATOM 819 C VAL A 84 2.451 9.402 0.468 1.00 0.00 C ATOM 820 O VAL A 84 1.285 9.758 0.644 1.00 0.00 O ATOM 821 CB VAL A 84 2.294 7.124 -0.540 1.00 0.00 C ATOM 822 CG1 VAL A 84 2.746 7.717 -1.867 1.00 0.00 C ATOM 823 CG2 VAL A 84 2.716 5.667 -0.427 1.00 0.00 C ATOM 0 H VAL A 84 1.401 7.220 1.961 1.00 0.00 H new ATOM 0 HA VAL A 84 3.945 7.868 0.634 1.00 0.00 H new ATOM 0 HB VAL A 84 1.206 7.167 -0.501 1.00 0.00 H new ATOM 0 HG11 VAL A 84 2.338 7.126 -2.687 1.00 0.00 H new ATOM 0 HG12 VAL A 84 2.389 8.744 -1.947 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.835 7.706 -1.918 1.00 0.00 H new ATOM 0 HG21 VAL A 84 2.309 5.104 -1.267 1.00 0.00 H new ATOM 0 HG22 VAL A 84 3.804 5.601 -0.440 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.338 5.250 0.507 1.00 0.00 H new ATOM 833 N THR A 85 3.420 10.245 0.126 1.00 0.00 N ATOM 834 CA THR A 85 3.164 11.666 -0.066 1.00 0.00 C ATOM 835 C THR A 85 3.356 12.068 -1.524 1.00 0.00 C ATOM 836 O THR A 85 4.480 12.111 -2.024 1.00 0.00 O ATOM 837 CB THR A 85 4.087 12.528 0.817 1.00 0.00 C ATOM 838 OG1 THR A 85 4.141 11.987 2.142 1.00 0.00 O ATOM 839 CG2 THR A 85 3.596 13.967 0.871 1.00 0.00 C ATOM 0 H THR A 85 4.390 9.967 -0.024 1.00 0.00 H new ATOM 0 HA THR A 85 2.128 11.841 0.223 1.00 0.00 H new ATOM 0 HB THR A 85 5.085 12.518 0.379 1.00 0.00 H new ATOM 0 HG1 THR A 85 4.731 12.539 2.697 1.00 0.00 H new ATOM 0 HG21 THR A 85 4.264 14.556 1.500 1.00 0.00 H new ATOM 0 HG22 THR A 85 3.583 14.385 -0.136 1.00 0.00 H new ATOM 0 HG23 THR A 85 2.589 13.992 1.287 1.00 0.00 H new ATOM 847 N PHE A 86 2.251 12.361 -2.202 1.00 0.00 N ATOM 848 CA PHE A 86 2.298 12.759 -3.604 1.00 0.00 C ATOM 849 C PHE A 86 2.536 14.260 -3.736 1.00 0.00 C ATOM 850 O PHE A 86 2.030 15.051 -2.940 1.00 0.00 O ATOM 851 CB PHE A 86 0.997 12.373 -4.310 1.00 0.00 C ATOM 852 CG PHE A 86 0.967 10.945 -4.775 1.00 0.00 C ATOM 853 CD1 PHE A 86 1.593 10.574 -5.954 1.00 0.00 C ATOM 854 CD2 PHE A 86 0.315 9.974 -4.033 1.00 0.00 C ATOM 855 CE1 PHE A 86 1.567 9.261 -6.385 1.00 0.00 C ATOM 856 CE2 PHE A 86 0.286 8.659 -4.459 1.00 0.00 C ATOM 857 CZ PHE A 86 0.914 8.302 -5.636 1.00 0.00 C ATOM 0 H PHE A 86 1.313 12.330 -1.803 1.00 0.00 H new ATOM 0 HA PHE A 86 3.129 12.235 -4.077 1.00 0.00 H new ATOM 0 HB2 PHE A 86 0.161 12.543 -3.632 1.00 0.00 H new ATOM 0 HB3 PHE A 86 0.850 13.029 -5.168 1.00 0.00 H new ATOM 0 HD1 PHE A 86 2.107 11.319 -6.543 1.00 0.00 H new ATOM 0 HD2 PHE A 86 -0.176 10.247 -3.111 1.00 0.00 H new ATOM 0 HE1 PHE A 86 2.057 8.985 -7.307 1.00 0.00 H new ATOM 0 HE2 PHE A 86 -0.227 7.912 -3.872 1.00 0.00 H new ATOM 0 HZ PHE A 86 0.894 7.275 -5.970 1.00 0.00 H new ATOM 867 N MET A 87 3.308 14.645 -4.746 1.00 0.00 N ATOM 868 CA MET A 87 3.612 16.051 -4.983 1.00 0.00 C ATOM 869 C MET A 87 2.348 16.829 -5.335 1.00 0.00 C ATOM 870 O MET A 87 2.100 17.907 -4.794 1.00 0.00 O ATOM 871 CB MET A 87 4.641 16.191 -6.107 1.00 0.00 C ATOM 872 CG MET A 87 6.080 16.179 -5.619 1.00 0.00 C ATOM 873 SD MET A 87 6.693 17.827 -5.223 1.00 0.00 S ATOM 874 CE MET A 87 5.840 18.144 -3.680 1.00 0.00 C ATOM 0 H MET A 87 3.735 14.003 -5.414 1.00 0.00 H new ATOM 0 HA MET A 87 4.029 16.466 -4.065 1.00 0.00 H new ATOM 0 HB2 MET A 87 4.501 15.378 -6.820 1.00 0.00 H new ATOM 0 HB3 MET A 87 4.456 17.121 -6.644 1.00 0.00 H new ATOM 0 HG2 MET A 87 6.154 15.546 -4.735 1.00 0.00 H new ATOM 0 HG3 MET A 87 6.715 15.734 -6.384 1.00 0.00 H new ATOM 0 HE1 MET A 87 6.432 18.827 -3.071 1.00 0.00 H new ATOM 0 HE2 MET A 87 4.868 18.592 -3.887 1.00 0.00 H new ATOM 0 HE3 MET A 87 5.700 17.206 -3.142 1.00 0.00 H new ATOM 884 N PHE A 88 1.553 16.276 -6.245 1.00 0.00 N ATOM 885 CA PHE A 88 0.315 16.919 -6.670 1.00 0.00 C ATOM 886 C PHE A 88 -0.899 16.120 -6.208 1.00 0.00 C ATOM 887 O PHE A 88 -0.876 14.891 -6.139 1.00 0.00 O ATOM 888 CB PHE A 88 0.291 17.070 -8.193 1.00 0.00 C ATOM 889 CG PHE A 88 1.481 17.803 -8.742 1.00 0.00 C ATOM 890 CD1 PHE A 88 1.513 19.188 -8.755 1.00 0.00 C ATOM 891 CD2 PHE A 88 2.569 17.107 -9.244 1.00 0.00 C ATOM 892 CE1 PHE A 88 2.607 19.865 -9.260 1.00 0.00 C ATOM 893 CE2 PHE A 88 3.666 17.778 -9.750 1.00 0.00 C ATOM 894 CZ PHE A 88 3.686 19.159 -9.757 1.00 0.00 C ATOM 0 H PHE A 88 1.744 15.384 -6.702 1.00 0.00 H new ATOM 0 HA PHE A 88 0.273 17.908 -6.213 1.00 0.00 H new ATOM 0 HB2 PHE A 88 0.243 16.080 -8.647 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -0.617 17.599 -8.483 1.00 0.00 H new ATOM 0 HD1 PHE A 88 0.673 19.745 -8.366 1.00 0.00 H new ATOM 0 HD2 PHE A 88 2.560 16.027 -9.240 1.00 0.00 H new ATOM 0 HE1 PHE A 88 2.619 20.945 -9.266 1.00 0.00 H new ATOM 0 HE2 PHE A 88 4.507 17.223 -10.140 1.00 0.00 H new ATOM 0 HZ PHE A 88 4.543 19.686 -10.150 1.00 0.00 H new ATOM 904 N PRO A 89 -1.988 16.833 -5.883 1.00 0.00 N ATOM 905 CA PRO A 89 -3.233 16.212 -5.421 1.00 0.00 C ATOM 906 C PRO A 89 -3.945 15.447 -6.531 1.00 0.00 C ATOM 907 O PRO A 89 -4.552 14.405 -6.288 1.00 0.00 O ATOM 908 CB PRO A 89 -4.077 17.405 -4.967 1.00 0.00 C ATOM 909 CG PRO A 89 -3.556 18.559 -5.752 1.00 0.00 C ATOM 910 CD PRO A 89 -2.087 18.301 -5.942 1.00 0.00 C ATOM 0 HA PRO A 89 -3.055 15.476 -4.637 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -5.136 17.238 -5.164 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -3.975 17.577 -3.895 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -4.065 18.640 -6.712 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -3.722 19.498 -5.223 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -1.731 18.690 -6.896 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -1.491 18.776 -5.162 1.00 0.00 H new ATOM 918 N GLU A 90 -3.867 15.972 -7.750 1.00 0.00 N ATOM 919 CA GLU A 90 -4.505 15.337 -8.897 1.00 0.00 C ATOM 920 C GLU A 90 -4.147 13.855 -8.968 1.00 0.00 C ATOM 921 O GLU A 90 -5.018 13.002 -9.137 1.00 0.00 O ATOM 922 CB GLU A 90 -4.089 16.037 -10.192 1.00 0.00 C ATOM 923 CG GLU A 90 -2.598 15.962 -10.472 1.00 0.00 C ATOM 924 CD GLU A 90 -2.127 17.048 -11.422 1.00 0.00 C ATOM 925 OE1 GLU A 90 -2.812 17.284 -12.439 1.00 0.00 O ATOM 926 OE2 GLU A 90 -1.074 17.660 -11.147 1.00 0.00 O ATOM 0 H GLU A 90 -3.369 16.835 -7.968 1.00 0.00 H new ATOM 0 HA GLU A 90 -5.585 15.426 -8.775 1.00 0.00 H new ATOM 0 HB2 GLU A 90 -4.630 15.590 -11.026 1.00 0.00 H new ATOM 0 HB3 GLU A 90 -4.389 17.084 -10.142 1.00 0.00 H new ATOM 0 HG2 GLU A 90 -2.051 16.044 -9.533 1.00 0.00 H new ATOM 0 HG3 GLU A 90 -2.360 14.986 -10.895 1.00 0.00 H new ATOM 933 N HIS A 91 -2.857 13.558 -8.840 1.00 0.00 N ATOM 934 CA HIS A 91 -2.382 12.180 -8.890 1.00 0.00 C ATOM 935 C HIS A 91 -2.836 11.404 -7.657 1.00 0.00 C ATOM 936 O HIS A 91 -3.345 10.289 -7.766 1.00 0.00 O ATOM 937 CB HIS A 91 -0.857 12.147 -8.994 1.00 0.00 C ATOM 938 CG HIS A 91 -0.323 12.876 -10.189 1.00 0.00 C ATOM 939 ND1 HIS A 91 0.836 13.622 -10.159 1.00 0.00 N ATOM 940 CD2 HIS A 91 -0.796 12.969 -11.454 1.00 0.00 C ATOM 941 CE1 HIS A 91 1.052 14.144 -11.354 1.00 0.00 C ATOM 942 NE2 HIS A 91 0.076 13.762 -12.158 1.00 0.00 N ATOM 0 H HIS A 91 -2.123 14.253 -8.701 1.00 0.00 H new ATOM 0 HA HIS A 91 -2.809 11.707 -9.774 1.00 0.00 H new ATOM 0 HB2 HIS A 91 -0.430 12.584 -8.091 1.00 0.00 H new ATOM 0 HB3 HIS A 91 -0.526 11.109 -9.034 1.00 0.00 H new ATOM 0 HD2 HIS A 91 -1.693 12.505 -11.838 1.00 0.00 H new ATOM 0 HE1 HIS A 91 1.885 14.775 -11.627 1.00 0.00 H new ATOM 0 HE2 HIS A 91 -0.015 14.015 -13.142 1.00 0.00 H new ATOM 951 N ALA A 92 -2.647 12.001 -6.485 1.00 0.00 N ATOM 952 CA ALA A 92 -3.037 11.367 -5.232 1.00 0.00 C ATOM 953 C ALA A 92 -4.452 10.805 -5.319 1.00 0.00 C ATOM 954 O ALA A 92 -4.746 9.746 -4.764 1.00 0.00 O ATOM 955 CB ALA A 92 -2.930 12.358 -4.083 1.00 0.00 C ATOM 0 H ALA A 92 -2.226 12.924 -6.377 1.00 0.00 H new ATOM 0 HA ALA A 92 -2.355 10.537 -5.045 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -3.224 11.871 -3.154 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -1.901 12.708 -3.999 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -3.588 13.206 -4.272 1.00 0.00 H new ATOM 961 N VAL A 93 -5.327 11.522 -6.018 1.00 0.00 N ATOM 962 CA VAL A 93 -6.712 11.095 -6.178 1.00 0.00 C ATOM 963 C VAL A 93 -6.810 9.883 -7.098 1.00 0.00 C ATOM 964 O VAL A 93 -7.466 8.893 -6.772 1.00 0.00 O ATOM 965 CB VAL A 93 -7.587 12.229 -6.745 1.00 0.00 C ATOM 966 CG1 VAL A 93 -8.999 11.731 -7.011 1.00 0.00 C ATOM 967 CG2 VAL A 93 -7.601 13.416 -5.795 1.00 0.00 C ATOM 0 H VAL A 93 -5.101 12.401 -6.483 1.00 0.00 H new ATOM 0 HA VAL A 93 -7.077 10.826 -5.187 1.00 0.00 H new ATOM 0 HB VAL A 93 -7.159 12.557 -7.692 1.00 0.00 H new ATOM 0 HG11 VAL A 93 -9.603 12.546 -7.411 1.00 0.00 H new ATOM 0 HG12 VAL A 93 -8.967 10.915 -7.733 1.00 0.00 H new ATOM 0 HG13 VAL A 93 -9.441 11.375 -6.080 1.00 0.00 H new ATOM 0 HG21 VAL A 93 -8.224 14.208 -6.211 1.00 0.00 H new ATOM 0 HG22 VAL A 93 -8.004 13.106 -4.831 1.00 0.00 H new ATOM 0 HG23 VAL A 93 -6.585 13.787 -5.661 1.00 0.00 H new ATOM 977 N LYS A 94 -6.154 9.967 -8.250 1.00 0.00 N ATOM 978 CA LYS A 94 -6.165 8.877 -9.219 1.00 0.00 C ATOM 979 C LYS A 94 -5.710 7.572 -8.574 1.00 0.00 C ATOM 980 O LYS A 94 -6.256 6.505 -8.856 1.00 0.00 O ATOM 981 CB LYS A 94 -5.261 9.214 -10.407 1.00 0.00 C ATOM 982 CG LYS A 94 -5.035 8.045 -11.350 1.00 0.00 C ATOM 983 CD LYS A 94 -3.851 8.291 -12.270 1.00 0.00 C ATOM 984 CE LYS A 94 -3.686 7.165 -13.279 1.00 0.00 C ATOM 985 NZ LYS A 94 -2.947 7.612 -14.493 1.00 0.00 N ATOM 0 H LYS A 94 -5.607 10.779 -8.536 1.00 0.00 H new ATOM 0 HA LYS A 94 -7.188 8.749 -9.574 1.00 0.00 H new ATOM 0 HB2 LYS A 94 -5.701 10.040 -10.965 1.00 0.00 H new ATOM 0 HB3 LYS A 94 -4.297 9.560 -10.033 1.00 0.00 H new ATOM 0 HG2 LYS A 94 -4.865 7.137 -10.771 1.00 0.00 H new ATOM 0 HG3 LYS A 94 -5.932 7.879 -11.947 1.00 0.00 H new ATOM 0 HD2 LYS A 94 -3.988 9.236 -12.796 1.00 0.00 H new ATOM 0 HD3 LYS A 94 -2.941 8.386 -11.677 1.00 0.00 H new ATOM 0 HE2 LYS A 94 -3.153 6.336 -12.814 1.00 0.00 H new ATOM 0 HE3 LYS A 94 -4.668 6.790 -13.569 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 -2.855 6.816 -15.156 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 -3.468 8.386 -14.951 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 -2.001 7.946 -14.220 1.00 0.00 H new ATOM 999 N ALA A 95 -4.707 7.664 -7.706 1.00 0.00 N ATOM 1000 CA ALA A 95 -4.181 6.491 -7.019 1.00 0.00 C ATOM 1001 C ALA A 95 -5.142 6.012 -5.936 1.00 0.00 C ATOM 1002 O ALA A 95 -5.364 4.811 -5.776 1.00 0.00 O ATOM 1003 CB ALA A 95 -2.817 6.798 -6.419 1.00 0.00 C ATOM 0 H ALA A 95 -4.243 8.539 -7.462 1.00 0.00 H new ATOM 0 HA ALA A 95 -4.072 5.691 -7.751 1.00 0.00 H new ATOM 0 HB1 ALA A 95 -2.436 5.913 -5.909 1.00 0.00 H new ATOM 0 HB2 ALA A 95 -2.127 7.085 -7.212 1.00 0.00 H new ATOM 0 HB3 ALA A 95 -2.909 7.616 -5.705 1.00 0.00 H new ATOM 1009 N TYR A 96 -5.710 6.957 -5.196 1.00 0.00 N ATOM 1010 CA TYR A 96 -6.646 6.631 -4.126 1.00 0.00 C ATOM 1011 C TYR A 96 -7.908 5.983 -4.685 1.00 0.00 C ATOM 1012 O TYR A 96 -8.662 5.338 -3.957 1.00 0.00 O ATOM 1013 CB TYR A 96 -7.012 7.891 -3.339 1.00 0.00 C ATOM 1014 CG TYR A 96 -8.309 7.770 -2.572 1.00 0.00 C ATOM 1015 CD1 TYR A 96 -8.495 6.758 -1.638 1.00 0.00 C ATOM 1016 CD2 TYR A 96 -9.349 8.667 -2.782 1.00 0.00 C ATOM 1017 CE1 TYR A 96 -9.679 6.643 -0.936 1.00 0.00 C ATOM 1018 CE2 TYR A 96 -10.536 8.560 -2.083 1.00 0.00 C ATOM 1019 CZ TYR A 96 -10.697 7.547 -1.161 1.00 0.00 C ATOM 1020 OH TYR A 96 -11.878 7.437 -0.464 1.00 0.00 O ATOM 0 H TYR A 96 -5.539 7.955 -5.317 1.00 0.00 H new ATOM 0 HA TYR A 96 -6.160 5.921 -3.457 1.00 0.00 H new ATOM 0 HB2 TYR A 96 -6.207 8.120 -2.641 1.00 0.00 H new ATOM 0 HB3 TYR A 96 -7.085 8.732 -4.029 1.00 0.00 H new ATOM 0 HD1 TYR A 96 -7.700 6.049 -1.458 1.00 0.00 H new ATOM 0 HD2 TYR A 96 -9.228 9.461 -3.504 1.00 0.00 H new ATOM 0 HE1 TYR A 96 -9.807 5.850 -0.215 1.00 0.00 H new ATOM 0 HE2 TYR A 96 -11.334 9.266 -2.258 1.00 0.00 H new ATOM 0 HH TYR A 96 -12.489 8.152 -0.740 1.00 0.00 H new ATOM 1030 N ALA A 97 -8.131 6.158 -5.983 1.00 0.00 N ATOM 1031 CA ALA A 97 -9.299 5.588 -6.642 1.00 0.00 C ATOM 1032 C ALA A 97 -8.990 4.209 -7.213 1.00 0.00 C ATOM 1033 O ALA A 97 -9.857 3.337 -7.258 1.00 0.00 O ATOM 1034 CB ALA A 97 -9.792 6.518 -7.741 1.00 0.00 C ATOM 0 H ALA A 97 -7.517 6.691 -6.600 1.00 0.00 H new ATOM 0 HA ALA A 97 -10.086 5.475 -5.896 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -10.665 6.079 -8.225 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -10.063 7.481 -7.308 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -9.002 6.661 -8.478 1.00 0.00 H new ATOM 1040 N GLU A 98 -7.748 4.019 -7.649 1.00 0.00 N ATOM 1041 CA GLU A 98 -7.326 2.745 -8.219 1.00 0.00 C ATOM 1042 C GLU A 98 -6.689 1.857 -7.153 1.00 0.00 C ATOM 1043 O GLU A 98 -7.129 0.729 -6.926 1.00 0.00 O ATOM 1044 CB GLU A 98 -6.336 2.976 -9.363 1.00 0.00 C ATOM 1045 CG GLU A 98 -6.936 3.717 -10.546 1.00 0.00 C ATOM 1046 CD GLU A 98 -6.061 3.648 -11.782 1.00 0.00 C ATOM 1047 OE1 GLU A 98 -5.507 2.563 -12.057 1.00 0.00 O ATOM 1048 OE2 GLU A 98 -5.929 4.679 -12.475 1.00 0.00 O ATOM 0 H GLU A 98 -7.018 4.730 -7.618 1.00 0.00 H new ATOM 0 HA GLU A 98 -8.210 2.240 -8.609 1.00 0.00 H new ATOM 0 HB2 GLU A 98 -5.483 3.540 -8.986 1.00 0.00 H new ATOM 0 HB3 GLU A 98 -5.956 2.013 -9.703 1.00 0.00 H new ATOM 0 HG2 GLU A 98 -7.915 3.296 -10.775 1.00 0.00 H new ATOM 0 HG3 GLU A 98 -7.093 4.761 -10.274 1.00 0.00 H new ATOM 1055 N VAL A 99 -5.651 2.373 -6.503 1.00 0.00 N ATOM 1056 CA VAL A 99 -4.954 1.628 -5.462 1.00 0.00 C ATOM 1057 C VAL A 99 -5.929 1.113 -4.409 1.00 0.00 C ATOM 1058 O VAL A 99 -5.938 -0.075 -4.085 1.00 0.00 O ATOM 1059 CB VAL A 99 -3.883 2.495 -4.773 1.00 0.00 C ATOM 1060 CG1 VAL A 99 -3.215 1.723 -3.646 1.00 0.00 C ATOM 1061 CG2 VAL A 99 -2.854 2.973 -5.786 1.00 0.00 C ATOM 0 H VAL A 99 -5.274 3.304 -6.679 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.469 0.782 -5.949 1.00 0.00 H new ATOM 0 HB VAL A 99 -4.370 3.370 -4.342 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -2.462 2.351 -3.171 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.964 1.435 -2.909 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.740 0.829 -4.049 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -2.105 3.584 -5.283 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -2.370 2.112 -6.247 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -3.349 3.566 -6.555 1.00 0.00 H new ATOM 1071 N ASP A 100 -6.749 2.013 -3.878 1.00 0.00 N ATOM 1072 CA ASP A 100 -7.730 1.650 -2.862 1.00 0.00 C ATOM 1073 C ASP A 100 -8.614 0.505 -3.346 1.00 0.00 C ATOM 1074 O ASP A 100 -9.700 0.729 -3.879 1.00 0.00 O ATOM 1075 CB ASP A 100 -8.593 2.859 -2.500 1.00 0.00 C ATOM 1076 CG ASP A 100 -9.669 2.520 -1.488 1.00 0.00 C ATOM 1077 OD1 ASP A 100 -9.320 2.049 -0.385 1.00 0.00 O ATOM 1078 OD2 ASP A 100 -10.861 2.727 -1.798 1.00 0.00 O ATOM 0 H ASP A 100 -6.754 3.000 -4.135 1.00 0.00 H new ATOM 0 HA ASP A 100 -7.191 1.320 -1.974 1.00 0.00 H new ATOM 0 HB2 ASP A 100 -7.957 3.649 -2.099 1.00 0.00 H new ATOM 0 HB3 ASP A 100 -9.059 3.253 -3.403 1.00 0.00 H new ATOM 1083 N GLY A 101 -8.140 -0.723 -3.157 1.00 0.00 N ATOM 1084 CA GLY A 101 -8.900 -1.885 -3.581 1.00 0.00 C ATOM 1085 C GLY A 101 -8.133 -2.755 -4.557 1.00 0.00 C ATOM 1086 O GLY A 101 -8.730 -3.451 -5.378 1.00 0.00 O ATOM 0 H GLY A 101 -7.244 -0.934 -2.718 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -9.171 -2.477 -2.707 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -9.830 -1.557 -4.045 1.00 0.00 H new ATOM 1090 N GLN A 102 -6.808 -2.714 -4.468 1.00 0.00 N ATOM 1091 CA GLN A 102 -5.959 -3.504 -5.352 1.00 0.00 C ATOM 1092 C GLN A 102 -5.213 -4.581 -4.572 1.00 0.00 C ATOM 1093 O GLN A 102 -5.186 -4.565 -3.341 1.00 0.00 O ATOM 1094 CB GLN A 102 -4.960 -2.599 -6.077 1.00 0.00 C ATOM 1095 CG GLN A 102 -3.833 -2.102 -5.187 1.00 0.00 C ATOM 1096 CD GLN A 102 -2.547 -1.862 -5.953 1.00 0.00 C ATOM 1097 OE1 GLN A 102 -2.153 -0.599 -6.069 1.00 0.00 O flip ATOM 1098 NE2 GLN A 102 -1.914 -2.802 -6.437 1.00 0.00 N flip ATOM 0 H GLN A 102 -6.299 -2.143 -3.793 1.00 0.00 H new ATOM 0 HA GLN A 102 -6.598 -3.991 -6.088 1.00 0.00 H new ATOM 0 HB2 GLN A 102 -4.533 -3.144 -6.919 1.00 0.00 H new ATOM 0 HB3 GLN A 102 -5.492 -1.741 -6.489 1.00 0.00 H new ATOM 0 HG2 GLN A 102 -4.140 -1.176 -4.701 1.00 0.00 H new ATOM 0 HG3 GLN A 102 -3.650 -2.831 -4.397 1.00 0.00 H new ATOM 0 HE21 GLN A 102 -2.253 -3.757 -6.324 1.00 0.00 H new ATOM 0 HE22 GLN A 102 -1.051 -2.625 -6.951 1.00 0.00 H new ATOM 1107 N VAL A 103 -4.609 -5.518 -5.296 1.00 0.00 N ATOM 1108 CA VAL A 103 -3.862 -6.603 -4.671 1.00 0.00 C ATOM 1109 C VAL A 103 -2.390 -6.556 -5.067 1.00 0.00 C ATOM 1110 O VAL A 103 -2.056 -6.376 -6.238 1.00 0.00 O ATOM 1111 CB VAL A 103 -4.442 -7.977 -5.056 1.00 0.00 C ATOM 1112 CG1 VAL A 103 -3.650 -9.095 -4.394 1.00 0.00 C ATOM 1113 CG2 VAL A 103 -5.913 -8.059 -4.678 1.00 0.00 C ATOM 0 H VAL A 103 -4.622 -5.548 -6.315 1.00 0.00 H new ATOM 0 HA VAL A 103 -3.950 -6.468 -3.593 1.00 0.00 H new ATOM 0 HB VAL A 103 -4.361 -8.097 -6.136 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -4.074 -10.058 -4.677 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -2.611 -9.046 -4.719 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -3.697 -8.982 -3.311 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -6.306 -9.036 -4.957 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -6.021 -7.918 -3.603 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -6.467 -7.281 -5.203 1.00 0.00 H new ATOM 1123 N PHE A 104 -1.513 -6.720 -4.082 1.00 0.00 N ATOM 1124 CA PHE A 104 -0.076 -6.696 -4.327 1.00 0.00 C ATOM 1125 C PHE A 104 0.646 -7.697 -3.429 1.00 0.00 C ATOM 1126 O PHE A 104 0.630 -7.570 -2.205 1.00 0.00 O ATOM 1127 CB PHE A 104 0.480 -5.290 -4.091 1.00 0.00 C ATOM 1128 CG PHE A 104 1.921 -5.140 -4.489 1.00 0.00 C ATOM 1129 CD1 PHE A 104 2.304 -5.263 -5.815 1.00 0.00 C ATOM 1130 CD2 PHE A 104 2.892 -4.876 -3.536 1.00 0.00 C ATOM 1131 CE1 PHE A 104 3.629 -5.125 -6.184 1.00 0.00 C ATOM 1132 CE2 PHE A 104 4.218 -4.737 -3.900 1.00 0.00 C ATOM 1133 CZ PHE A 104 4.587 -4.863 -5.225 1.00 0.00 C ATOM 0 H PHE A 104 -1.772 -6.871 -3.107 1.00 0.00 H new ATOM 0 HA PHE A 104 0.094 -6.977 -5.366 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -0.120 -4.572 -4.651 1.00 0.00 H new ATOM 0 HB3 PHE A 104 0.375 -5.039 -3.036 1.00 0.00 H new ATOM 0 HD1 PHE A 104 1.559 -5.469 -6.569 1.00 0.00 H new ATOM 0 HD2 PHE A 104 2.610 -4.778 -2.498 1.00 0.00 H new ATOM 0 HE1 PHE A 104 3.914 -5.222 -7.221 1.00 0.00 H new ATOM 0 HE2 PHE A 104 4.966 -4.530 -3.149 1.00 0.00 H new ATOM 0 HZ PHE A 104 5.623 -4.757 -5.510 1.00 0.00 H new ATOM 1143 N GLN A 105 1.276 -8.690 -4.047 1.00 0.00 N ATOM 1144 CA GLN A 105 2.002 -9.713 -3.303 1.00 0.00 C ATOM 1145 C GLN A 105 1.063 -10.490 -2.387 1.00 0.00 C ATOM 1146 O GLN A 105 1.460 -10.943 -1.314 1.00 0.00 O ATOM 1147 CB GLN A 105 3.125 -9.077 -2.482 1.00 0.00 C ATOM 1148 CG GLN A 105 4.163 -8.356 -3.326 1.00 0.00 C ATOM 1149 CD GLN A 105 5.223 -9.292 -3.872 1.00 0.00 C ATOM 1150 OE1 GLN A 105 5.190 -10.498 -3.625 1.00 0.00 O ATOM 1151 NE2 GLN A 105 6.172 -8.741 -4.619 1.00 0.00 N ATOM 0 H GLN A 105 1.299 -8.808 -5.060 1.00 0.00 H new ATOM 0 HA GLN A 105 2.436 -10.408 -4.021 1.00 0.00 H new ATOM 0 HB2 GLN A 105 2.691 -8.371 -1.774 1.00 0.00 H new ATOM 0 HB3 GLN A 105 3.620 -9.852 -1.897 1.00 0.00 H new ATOM 0 HG2 GLN A 105 3.666 -7.853 -4.155 1.00 0.00 H new ATOM 0 HG3 GLN A 105 4.641 -7.583 -2.725 1.00 0.00 H new ATOM 0 HE21 GLN A 105 6.161 -7.737 -4.799 1.00 0.00 H new ATOM 0 HE22 GLN A 105 6.912 -9.322 -5.013 1.00 0.00 H new ATOM 1160 N GLY A 106 -0.187 -10.639 -2.817 1.00 0.00 N ATOM 1161 CA GLY A 106 -1.164 -11.361 -2.022 1.00 0.00 C ATOM 1162 C GLY A 106 -1.621 -10.573 -0.811 1.00 0.00 C ATOM 1163 O GLY A 106 -1.922 -11.149 0.235 1.00 0.00 O ATOM 0 H GLY A 106 -0.540 -10.273 -3.701 1.00 0.00 H new ATOM 0 HA2 GLY A 106 -2.027 -11.601 -2.643 1.00 0.00 H new ATOM 0 HA3 GLY A 106 -0.734 -12.308 -1.695 1.00 0.00 H new ATOM 1167 N ARG A 107 -1.673 -9.252 -0.950 1.00 0.00 N ATOM 1168 CA ARG A 107 -2.094 -8.385 0.143 1.00 0.00 C ATOM 1169 C ARG A 107 -2.918 -7.212 -0.381 1.00 0.00 C ATOM 1170 O ARG A 107 -2.402 -6.341 -1.080 1.00 0.00 O ATOM 1171 CB ARG A 107 -0.876 -7.864 0.908 1.00 0.00 C ATOM 1172 CG ARG A 107 -0.390 -8.810 1.994 1.00 0.00 C ATOM 1173 CD ARG A 107 -1.337 -8.826 3.184 1.00 0.00 C ATOM 1174 NE ARG A 107 -1.210 -10.051 3.969 1.00 0.00 N ATOM 1175 CZ ARG A 107 -1.722 -10.201 5.185 1.00 0.00 C ATOM 1176 NH1 ARG A 107 -2.392 -9.208 5.753 1.00 0.00 N ATOM 1177 NH2 ARG A 107 -1.564 -11.347 5.836 1.00 0.00 N ATOM 0 H ARG A 107 -1.429 -8.759 -1.809 1.00 0.00 H new ATOM 0 HA ARG A 107 -2.716 -8.971 0.820 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -0.064 -7.685 0.203 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -1.124 -6.903 1.359 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -0.299 -9.817 1.587 1.00 0.00 H new ATOM 0 HG3 ARG A 107 0.604 -8.508 2.323 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -1.134 -7.965 3.821 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.364 -8.726 2.832 1.00 0.00 H new ATOM 0 HE ARG A 107 -0.700 -10.834 3.561 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -2.515 -8.326 5.256 1.00 0.00 H new ATOM 0 HH12 ARG A 107 -2.784 -9.326 6.687 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.049 -12.113 5.402 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -1.958 -11.461 6.770 1.00 0.00 H new ATOM 1191 N MET A 108 -4.202 -7.198 -0.037 1.00 0.00 N ATOM 1192 CA MET A 108 -5.097 -6.132 -0.472 1.00 0.00 C ATOM 1193 C MET A 108 -4.655 -4.786 0.094 1.00 0.00 C ATOM 1194 O MET A 108 -4.685 -4.571 1.306 1.00 0.00 O ATOM 1195 CB MET A 108 -6.533 -6.433 -0.039 1.00 0.00 C ATOM 1196 CG MET A 108 -7.310 -7.264 -1.047 1.00 0.00 C ATOM 1197 SD MET A 108 -9.081 -6.928 -1.006 1.00 0.00 S ATOM 1198 CE MET A 108 -9.147 -5.354 -1.859 1.00 0.00 C ATOM 0 H MET A 108 -4.645 -7.912 0.541 1.00 0.00 H new ATOM 0 HA MET A 108 -5.057 -6.080 -1.560 1.00 0.00 H new ATOM 0 HB2 MET A 108 -6.513 -6.959 0.915 1.00 0.00 H new ATOM 0 HB3 MET A 108 -7.059 -5.493 0.126 1.00 0.00 H new ATOM 0 HG2 MET A 108 -6.929 -7.063 -2.048 1.00 0.00 H new ATOM 0 HG3 MET A 108 -7.140 -8.322 -0.848 1.00 0.00 H new ATOM 0 HE1 MET A 108 -9.869 -4.703 -1.366 1.00 0.00 H new ATOM 0 HE2 MET A 108 -8.163 -4.887 -1.837 1.00 0.00 H new ATOM 0 HE3 MET A 108 -9.450 -5.513 -2.894 1.00 0.00 H new ATOM 1208 N LEU A 109 -4.245 -3.883 -0.791 1.00 0.00 N ATOM 1209 CA LEU A 109 -3.797 -2.558 -0.379 1.00 0.00 C ATOM 1210 C LEU A 109 -4.985 -1.646 -0.088 1.00 0.00 C ATOM 1211 O LEU A 109 -5.905 -1.530 -0.899 1.00 0.00 O ATOM 1212 CB LEU A 109 -2.916 -1.936 -1.464 1.00 0.00 C ATOM 1213 CG LEU A 109 -1.723 -2.775 -1.923 1.00 0.00 C ATOM 1214 CD1 LEU A 109 -0.968 -2.066 -3.037 1.00 0.00 C ATOM 1215 CD2 LEU A 109 -0.796 -3.069 -0.752 1.00 0.00 C ATOM 0 H LEU A 109 -4.214 -4.045 -1.798 1.00 0.00 H new ATOM 0 HA LEU A 109 -3.215 -2.667 0.536 1.00 0.00 H new ATOM 0 HB2 LEU A 109 -3.540 -1.722 -2.332 1.00 0.00 H new ATOM 0 HB3 LEU A 109 -2.542 -0.980 -1.097 1.00 0.00 H new ATOM 0 HG LEU A 109 -2.098 -3.722 -2.312 1.00 0.00 H new ATOM 0 HD11 LEU A 109 -0.123 -2.678 -3.350 1.00 0.00 H new ATOM 0 HD12 LEU A 109 -1.635 -1.907 -3.884 1.00 0.00 H new ATOM 0 HD13 LEU A 109 -0.605 -1.104 -2.675 1.00 0.00 H new ATOM 0 HD21 LEU A 109 0.048 -3.667 -1.097 1.00 0.00 H new ATOM 0 HD22 LEU A 109 -0.429 -2.132 -0.334 1.00 0.00 H new ATOM 0 HD23 LEU A 109 -1.341 -3.619 0.015 1.00 0.00 H new ATOM 1227 N HIS A 110 -4.958 -1.000 1.073 1.00 0.00 N ATOM 1228 CA HIS A 110 -6.032 -0.096 1.469 1.00 0.00 C ATOM 1229 C HIS A 110 -5.525 1.340 1.567 1.00 0.00 C ATOM 1230 O HIS A 110 -4.559 1.622 2.275 1.00 0.00 O ATOM 1231 CB HIS A 110 -6.625 -0.532 2.810 1.00 0.00 C ATOM 1232 CG HIS A 110 -7.395 -1.814 2.736 1.00 0.00 C ATOM 1233 ND1 HIS A 110 -7.294 -2.859 1.881 1.00 0.00 N flip ATOM 1234 CD2 HIS A 110 -8.410 -2.134 3.612 1.00 0.00 C flip ATOM 1235 CE1 HIS A 110 -8.240 -3.782 2.254 1.00 0.00 C flip ATOM 1236 NE2 HIS A 110 -8.900 -3.321 3.301 1.00 0.00 N flip ATOM 0 H HIS A 110 -4.205 -1.085 1.756 1.00 0.00 H new ATOM 0 HA HIS A 110 -6.809 -0.137 0.705 1.00 0.00 H new ATOM 0 HB2 HIS A 110 -5.819 -0.643 3.535 1.00 0.00 H new ATOM 0 HB3 HIS A 110 -7.281 0.255 3.181 1.00 0.00 H new ATOM 0 HD2 HIS A 110 -8.752 -1.511 4.426 1.00 0.00 H new ATOM 0 HE1 HIS A 110 -8.416 -4.731 1.770 1.00 0.00 H new ATOM 0 HE2 HIS A 110 -9.659 -3.800 3.787 1.00 0.00 H new ATOM 1245 N VAL A 111 -6.185 2.245 0.849 1.00 0.00 N ATOM 1246 CA VAL A 111 -5.802 3.651 0.855 1.00 0.00 C ATOM 1247 C VAL A 111 -6.939 4.529 1.365 1.00 0.00 C ATOM 1248 O VAL A 111 -8.086 4.388 0.938 1.00 0.00 O ATOM 1249 CB VAL A 111 -5.392 4.127 -0.552 1.00 0.00 C ATOM 1250 CG1 VAL A 111 -4.731 5.495 -0.481 1.00 0.00 C ATOM 1251 CG2 VAL A 111 -4.468 3.113 -1.209 1.00 0.00 C ATOM 0 H VAL A 111 -6.987 2.029 0.257 1.00 0.00 H new ATOM 0 HA VAL A 111 -4.948 3.743 1.525 1.00 0.00 H new ATOM 0 HB VAL A 111 -6.290 4.215 -1.163 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.448 5.815 -1.484 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -5.429 6.215 -0.054 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -3.841 5.437 0.146 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.188 3.465 -2.202 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -3.571 2.991 -0.602 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -4.981 2.155 -1.295 1.00 0.00 H new ATOM 1261 N LEU A 112 -6.615 5.436 2.280 1.00 0.00 N ATOM 1262 CA LEU A 112 -7.610 6.338 2.849 1.00 0.00 C ATOM 1263 C LEU A 112 -7.106 7.778 2.844 1.00 0.00 C ATOM 1264 O LEU A 112 -5.910 8.043 2.970 1.00 0.00 O ATOM 1265 CB LEU A 112 -7.957 5.912 4.276 1.00 0.00 C ATOM 1266 CG LEU A 112 -8.542 4.508 4.434 1.00 0.00 C ATOM 1267 CD1 LEU A 112 -8.338 4.001 5.853 1.00 0.00 C ATOM 1268 CD2 LEU A 112 -10.020 4.501 4.071 1.00 0.00 C ATOM 0 H LEU A 112 -5.671 5.566 2.644 1.00 0.00 H new ATOM 0 HA LEU A 112 -8.507 6.284 2.232 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.054 5.978 4.883 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.669 6.629 4.685 1.00 0.00 H new ATOM 0 HG LEU A 112 -8.018 3.839 3.752 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -8.761 3.001 5.946 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -7.272 3.967 6.077 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -8.835 4.672 6.554 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -10.419 3.494 4.189 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -10.559 5.184 4.727 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -10.142 4.820 3.036 1.00 0.00 H new ATOM 1280 N PRO A 113 -8.038 8.731 2.697 1.00 0.00 N ATOM 1281 CA PRO A 113 -7.712 10.160 2.676 1.00 0.00 C ATOM 1282 C PRO A 113 -7.261 10.672 4.040 1.00 0.00 C ATOM 1283 O PRO A 113 -7.962 10.506 5.038 1.00 0.00 O ATOM 1284 CB PRO A 113 -9.031 10.819 2.266 1.00 0.00 C ATOM 1285 CG PRO A 113 -10.084 9.857 2.695 1.00 0.00 C ATOM 1286 CD PRO A 113 -9.482 8.488 2.542 1.00 0.00 C ATOM 0 HA PRO A 113 -6.883 10.379 2.003 1.00 0.00 H new ATOM 0 HB2 PRO A 113 -9.158 11.787 2.751 1.00 0.00 H new ATOM 0 HB3 PRO A 113 -9.069 10.994 1.191 1.00 0.00 H new ATOM 0 HG2 PRO A 113 -10.382 10.039 3.728 1.00 0.00 H new ATOM 0 HG3 PRO A 113 -10.980 9.960 2.082 1.00 0.00 H new ATOM 0 HD2 PRO A 113 -9.857 7.798 3.298 1.00 0.00 H new ATOM 0 HD3 PRO A 113 -9.714 8.053 1.570 1.00 0.00 H new ATOM 1294 N SER A 114 -6.088 11.297 4.074 1.00 0.00 N ATOM 1295 CA SER A 114 -5.543 11.831 5.317 1.00 0.00 C ATOM 1296 C SER A 114 -4.964 13.226 5.101 1.00 0.00 C ATOM 1297 O SER A 114 -4.191 13.453 4.169 1.00 0.00 O ATOM 1298 CB SER A 114 -4.463 10.897 5.868 1.00 0.00 C ATOM 1299 OG SER A 114 -5.039 9.815 6.578 1.00 0.00 O ATOM 0 H SER A 114 -5.497 11.446 3.256 1.00 0.00 H new ATOM 0 HA SER A 114 -6.355 11.902 6.040 1.00 0.00 H new ATOM 0 HB2 SER A 114 -3.855 10.515 5.048 1.00 0.00 H new ATOM 0 HB3 SER A 114 -3.797 11.455 6.526 1.00 0.00 H new ATOM 0 HG SER A 114 -5.985 9.732 6.337 1.00 0.00 H new ATOM 1305 N THR A 115 -5.342 14.158 5.969 1.00 0.00 N ATOM 1306 CA THR A 115 -4.862 15.531 5.874 1.00 0.00 C ATOM 1307 C THR A 115 -4.010 15.901 7.083 1.00 0.00 C ATOM 1308 O THR A 115 -4.299 15.489 8.207 1.00 0.00 O ATOM 1309 CB THR A 115 -6.031 16.528 5.760 1.00 0.00 C ATOM 1310 OG1 THR A 115 -7.011 16.251 6.767 1.00 0.00 O ATOM 1311 CG2 THR A 115 -6.675 16.452 4.384 1.00 0.00 C ATOM 0 H THR A 115 -5.980 13.987 6.747 1.00 0.00 H new ATOM 0 HA THR A 115 -4.253 15.591 4.972 1.00 0.00 H new ATOM 0 HB THR A 115 -5.637 17.534 5.904 1.00 0.00 H new ATOM 0 HG1 THR A 115 -7.750 16.890 6.689 1.00 0.00 H new ATOM 0 HG21 THR A 115 -7.498 17.165 4.327 1.00 0.00 H new ATOM 0 HG22 THR A 115 -5.934 16.692 3.622 1.00 0.00 H new ATOM 0 HG23 THR A 115 -7.056 15.445 4.216 1.00 0.00 H new ATOM 1319 N ILE A 116 -2.960 16.679 6.845 1.00 0.00 N ATOM 1320 CA ILE A 116 -2.067 17.105 7.915 1.00 0.00 C ATOM 1321 C ILE A 116 -2.837 17.817 9.022 1.00 0.00 C ATOM 1322 O ILE A 116 -3.165 18.998 8.905 1.00 0.00 O ATOM 1323 CB ILE A 116 -0.963 18.041 7.389 1.00 0.00 C ATOM 1324 CG1 ILE A 116 -0.162 17.350 6.284 1.00 0.00 C ATOM 1325 CG2 ILE A 116 -0.047 18.471 8.525 1.00 0.00 C ATOM 1326 CD1 ILE A 116 0.549 18.313 5.360 1.00 0.00 C ATOM 0 H ILE A 116 -2.707 17.027 5.920 1.00 0.00 H new ATOM 0 HA ILE A 116 -1.605 16.204 8.318 1.00 0.00 H new ATOM 0 HB ILE A 116 -1.432 18.931 6.970 1.00 0.00 H new ATOM 0 HG12 ILE A 116 0.573 16.687 6.740 1.00 0.00 H new ATOM 0 HG13 ILE A 116 -0.834 16.725 5.696 1.00 0.00 H new ATOM 0 HG21 ILE A 116 0.728 19.132 8.137 1.00 0.00 H new ATOM 0 HG22 ILE A 116 -0.628 18.998 9.282 1.00 0.00 H new ATOM 0 HG23 ILE A 116 0.417 17.591 8.971 1.00 0.00 H new ATOM 0 HD11 ILE A 116 1.096 17.753 4.602 1.00 0.00 H new ATOM 0 HD12 ILE A 116 -0.183 18.960 4.876 1.00 0.00 H new ATOM 0 HD13 ILE A 116 1.247 18.922 5.936 1.00 0.00 H new ATOM 1338 N LYS A 117 -3.121 17.092 10.099 1.00 0.00 N ATOM 1339 CA LYS A 117 -3.849 17.653 11.230 1.00 0.00 C ATOM 1340 C LYS A 117 -2.913 18.434 12.146 1.00 0.00 C ATOM 1341 O LYS A 117 -2.896 18.224 13.359 1.00 0.00 O ATOM 1342 CB LYS A 117 -4.542 16.541 12.020 1.00 0.00 C ATOM 1343 CG LYS A 117 -5.828 16.049 11.378 1.00 0.00 C ATOM 1344 CD LYS A 117 -7.029 16.848 11.854 1.00 0.00 C ATOM 1345 CE LYS A 117 -7.500 16.385 13.224 1.00 0.00 C ATOM 1346 NZ LYS A 117 -8.768 17.052 13.630 1.00 0.00 N ATOM 0 H LYS A 117 -2.857 16.113 10.212 1.00 0.00 H new ATOM 0 HA LYS A 117 -4.603 18.337 10.841 1.00 0.00 H new ATOM 0 HB2 LYS A 117 -3.855 15.701 12.128 1.00 0.00 H new ATOM 0 HB3 LYS A 117 -4.763 16.903 13.024 1.00 0.00 H new ATOM 0 HG2 LYS A 117 -5.746 16.124 10.294 1.00 0.00 H new ATOM 0 HG3 LYS A 117 -5.974 14.995 11.615 1.00 0.00 H new ATOM 0 HD2 LYS A 117 -6.770 17.906 11.896 1.00 0.00 H new ATOM 0 HD3 LYS A 117 -7.842 16.747 11.135 1.00 0.00 H new ATOM 0 HE2 LYS A 117 -7.646 15.305 13.212 1.00 0.00 H new ATOM 0 HE3 LYS A 117 -6.727 16.594 13.963 1.00 0.00 H new ATOM 0 HZ1 LYS A 117 -9.055 16.709 14.569 1.00 0.00 H new ATOM 0 HZ2 LYS A 117 -8.623 18.081 13.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 117 -9.513 16.832 12.938 1.00 0.00 H new ATOM 1360 N LYS A 118 -2.135 19.338 11.559 1.00 0.00 N ATOM 1361 CA LYS A 118 -1.198 20.153 12.322 1.00 0.00 C ATOM 1362 C LYS A 118 -0.936 21.482 11.621 1.00 0.00 C ATOM 1363 O LYS A 118 -1.089 21.592 10.405 1.00 0.00 O ATOM 1364 CB LYS A 118 0.120 19.401 12.520 1.00 0.00 C ATOM 1365 CG LYS A 118 0.906 19.860 13.737 1.00 0.00 C ATOM 1366 CD LYS A 118 2.186 19.059 13.908 1.00 0.00 C ATOM 1367 CE LYS A 118 2.585 18.953 15.372 1.00 0.00 C ATOM 1368 NZ LYS A 118 2.642 20.288 16.030 1.00 0.00 N ATOM 0 H LYS A 118 -2.135 19.524 10.556 1.00 0.00 H new ATOM 0 HA LYS A 118 -1.643 20.357 13.296 1.00 0.00 H new ATOM 0 HB2 LYS A 118 -0.090 18.336 12.614 1.00 0.00 H new ATOM 0 HB3 LYS A 118 0.737 19.527 11.631 1.00 0.00 H new ATOM 0 HG2 LYS A 118 1.148 20.918 13.637 1.00 0.00 H new ATOM 0 HG3 LYS A 118 0.289 19.757 14.630 1.00 0.00 H new ATOM 0 HD2 LYS A 118 2.050 18.060 13.494 1.00 0.00 H new ATOM 0 HD3 LYS A 118 2.990 19.531 13.344 1.00 0.00 H new ATOM 0 HE2 LYS A 118 1.871 18.319 15.898 1.00 0.00 H new ATOM 0 HE3 LYS A 118 3.558 18.468 15.449 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 3.138 20.205 16.940 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 3.152 20.956 15.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 1.676 20.636 16.193 1.00 0.00 H new ATOM 1382 N GLU A 119 -0.541 22.487 12.396 1.00 0.00 N ATOM 1383 CA GLU A 119 -0.258 23.808 11.847 1.00 0.00 C ATOM 1384 C GLU A 119 1.181 23.892 11.345 1.00 0.00 C ATOM 1385 O GLU A 119 1.896 24.850 11.637 1.00 0.00 O ATOM 1386 CB GLU A 119 -0.505 24.887 12.903 1.00 0.00 C ATOM 1387 CG GLU A 119 -0.602 26.291 12.328 1.00 0.00 C ATOM 1388 CD GLU A 119 -1.918 26.540 11.618 1.00 0.00 C ATOM 1389 OE1 GLU A 119 -2.936 25.943 12.025 1.00 0.00 O ATOM 1390 OE2 GLU A 119 -1.929 27.334 10.653 1.00 0.00 O ATOM 0 H GLU A 119 -0.410 22.412 13.405 1.00 0.00 H new ATOM 0 HA GLU A 119 -0.929 23.974 11.004 1.00 0.00 H new ATOM 0 HB2 GLU A 119 -1.428 24.657 13.436 1.00 0.00 H new ATOM 0 HB3 GLU A 119 0.302 24.858 13.635 1.00 0.00 H new ATOM 0 HG2 GLU A 119 -0.484 27.018 13.132 1.00 0.00 H new ATOM 0 HG3 GLU A 119 0.219 26.451 11.630 1.00 0.00 H new ATOM 1397 N ALA A 120 1.598 22.882 10.590 1.00 0.00 N ATOM 1398 CA ALA A 120 2.950 22.841 10.046 1.00 0.00 C ATOM 1399 C ALA A 120 3.034 23.599 8.726 1.00 0.00 C ATOM 1400 O ALA A 120 4.049 24.225 8.421 1.00 0.00 O ATOM 1401 CB ALA A 120 3.401 21.400 9.859 1.00 0.00 C ATOM 0 H ALA A 120 1.019 22.080 10.341 1.00 0.00 H new ATOM 0 HA ALA A 120 3.616 23.329 10.758 1.00 0.00 H new ATOM 0 HB1 ALA A 120 4.412 21.385 9.452 1.00 0.00 H new ATOM 0 HB2 ALA A 120 3.389 20.887 10.821 1.00 0.00 H new ATOM 0 HB3 ALA A 120 2.725 20.894 9.170 1.00 0.00 H new ATOM 1407 N SER A 121 1.960 23.538 7.945 1.00 0.00 N ATOM 1408 CA SER A 121 1.914 24.215 6.654 1.00 0.00 C ATOM 1409 C SER A 121 1.375 25.634 6.804 1.00 0.00 C ATOM 1410 O SER A 121 0.168 25.841 6.923 1.00 0.00 O ATOM 1411 CB SER A 121 1.044 23.428 5.672 1.00 0.00 C ATOM 1412 OG SER A 121 1.565 22.127 5.459 1.00 0.00 O ATOM 0 H SER A 121 1.110 23.027 8.184 1.00 0.00 H new ATOM 0 HA SER A 121 2.930 24.270 6.264 1.00 0.00 H new ATOM 0 HB2 SER A 121 0.027 23.357 6.058 1.00 0.00 H new ATOM 0 HB3 SER A 121 0.988 23.961 4.723 1.00 0.00 H new ATOM 0 HG SER A 121 0.990 21.644 4.829 1.00 0.00 H new ATOM 1418 N GLN A 122 2.280 26.608 6.797 1.00 0.00 N ATOM 1419 CA GLN A 122 1.895 28.008 6.934 1.00 0.00 C ATOM 1420 C GLN A 122 0.877 28.399 5.868 1.00 0.00 C ATOM 1421 O GLN A 122 -0.157 28.993 6.172 1.00 0.00 O ATOM 1422 CB GLN A 122 3.127 28.909 6.834 1.00 0.00 C ATOM 1423 CG GLN A 122 3.870 28.780 5.514 1.00 0.00 C ATOM 1424 CD GLN A 122 5.098 29.667 5.446 1.00 0.00 C ATOM 1425 OE1 GLN A 122 6.209 29.234 5.755 1.00 0.00 O ATOM 1426 NE2 GLN A 122 4.905 30.916 5.040 1.00 0.00 N ATOM 0 H GLN A 122 3.283 26.454 6.698 1.00 0.00 H new ATOM 0 HA GLN A 122 1.436 28.139 7.914 1.00 0.00 H new ATOM 0 HB2 GLN A 122 2.820 29.946 6.969 1.00 0.00 H new ATOM 0 HB3 GLN A 122 3.809 28.670 7.650 1.00 0.00 H new ATOM 0 HG2 GLN A 122 4.168 27.742 5.369 1.00 0.00 H new ATOM 0 HG3 GLN A 122 3.196 29.035 4.696 1.00 0.00 H new ATOM 0 HE21 GLN A 122 3.967 31.233 4.794 1.00 0.00 H new ATOM 0 HE22 GLN A 122 5.694 31.559 4.974 1.00 0.00 H new ATOM 1435 N SER A 123 1.178 28.063 4.617 1.00 0.00 N ATOM 1436 CA SER A 123 0.290 28.383 3.505 1.00 0.00 C ATOM 1437 C SER A 123 0.591 27.498 2.299 1.00 0.00 C ATOM 1438 O SER A 123 1.643 26.864 2.226 1.00 0.00 O ATOM 1439 CB SER A 123 0.432 29.856 3.120 1.00 0.00 C ATOM 1440 OG SER A 123 -0.303 30.687 4.002 1.00 0.00 O ATOM 0 H SER A 123 2.029 27.570 4.348 1.00 0.00 H new ATOM 0 HA SER A 123 -0.735 28.196 3.824 1.00 0.00 H new ATOM 0 HB2 SER A 123 1.484 30.140 3.139 1.00 0.00 H new ATOM 0 HB3 SER A 123 0.081 30.004 2.099 1.00 0.00 H new ATOM 0 HG SER A 123 -0.376 30.252 4.877 1.00 0.00 H new ATOM 1446 N GLY A 124 -0.343 27.461 1.353 1.00 0.00 N ATOM 1447 CA GLY A 124 -0.160 26.652 0.162 1.00 0.00 C ATOM 1448 C GLY A 124 -0.310 27.457 -1.114 1.00 0.00 C ATOM 1449 O GLY A 124 -1.377 27.492 -1.729 1.00 0.00 O ATOM 0 H GLY A 124 -1.222 27.976 1.390 1.00 0.00 H new ATOM 0 HA2 GLY A 124 0.829 26.195 0.185 1.00 0.00 H new ATOM 0 HA3 GLY A 124 -0.887 25.840 0.163 1.00 0.00 H new ATOM 1453 N PRO A 125 0.777 28.123 -1.530 1.00 0.00 N ATOM 1454 CA PRO A 125 0.786 28.945 -2.744 1.00 0.00 C ATOM 1455 C PRO A 125 0.696 28.104 -4.013 1.00 0.00 C ATOM 1456 O PRO A 125 0.805 26.879 -3.966 1.00 0.00 O ATOM 1457 CB PRO A 125 2.134 29.666 -2.675 1.00 0.00 C ATOM 1458 CG PRO A 125 2.997 28.777 -1.846 1.00 0.00 C ATOM 1459 CD PRO A 125 2.081 28.126 -0.846 1.00 0.00 C ATOM 0 HA PRO A 125 -0.070 29.618 -2.787 1.00 0.00 H new ATOM 0 HB2 PRO A 125 2.556 29.812 -3.669 1.00 0.00 H new ATOM 0 HB3 PRO A 125 2.033 30.653 -2.223 1.00 0.00 H new ATOM 0 HG2 PRO A 125 3.495 28.030 -2.464 1.00 0.00 H new ATOM 0 HG3 PRO A 125 3.779 29.348 -1.345 1.00 0.00 H new ATOM 0 HD2 PRO A 125 2.408 27.116 -0.600 1.00 0.00 H new ATOM 0 HD3 PRO A 125 2.043 28.686 0.089 1.00 0.00 H new ATOM 1467 N SER A 126 0.496 28.770 -5.146 1.00 0.00 N ATOM 1468 CA SER A 126 0.388 28.083 -6.428 1.00 0.00 C ATOM 1469 C SER A 126 1.113 28.860 -7.523 1.00 0.00 C ATOM 1470 O SER A 126 0.765 30.001 -7.824 1.00 0.00 O ATOM 1471 CB SER A 126 -1.082 27.896 -6.808 1.00 0.00 C ATOM 1472 OG SER A 126 -1.690 26.894 -6.012 1.00 0.00 O ATOM 0 H SER A 126 0.405 29.784 -5.202 1.00 0.00 H new ATOM 0 HA SER A 126 0.858 27.104 -6.329 1.00 0.00 H new ATOM 0 HB2 SER A 126 -1.616 28.838 -6.683 1.00 0.00 H new ATOM 0 HB3 SER A 126 -1.157 27.624 -7.861 1.00 0.00 H new ATOM 0 HG SER A 126 -2.629 26.794 -6.273 1.00 0.00 H new ATOM 1478 N SER A 127 2.124 28.231 -8.114 1.00 0.00 N ATOM 1479 CA SER A 127 2.902 28.863 -9.173 1.00 0.00 C ATOM 1480 C SER A 127 2.548 28.272 -10.534 1.00 0.00 C ATOM 1481 O SER A 127 2.042 27.155 -10.626 1.00 0.00 O ATOM 1482 CB SER A 127 4.399 28.695 -8.906 1.00 0.00 C ATOM 1483 OG SER A 127 5.169 29.488 -9.792 1.00 0.00 O ATOM 0 H SER A 127 2.423 27.285 -7.878 1.00 0.00 H new ATOM 0 HA SER A 127 2.659 29.926 -9.183 1.00 0.00 H new ATOM 0 HB2 SER A 127 4.621 28.975 -7.876 1.00 0.00 H new ATOM 0 HB3 SER A 127 4.676 27.647 -9.018 1.00 0.00 H new ATOM 0 HG SER A 127 6.122 29.363 -9.599 1.00 0.00 H new ATOM 1489 N GLY A 128 2.818 29.033 -11.591 1.00 0.00 N ATOM 1490 CA GLY A 128 2.521 28.569 -12.934 1.00 0.00 C ATOM 1491 C GLY A 128 1.053 28.709 -13.285 1.00 0.00 C ATOM 1492 O GLY A 128 0.401 27.734 -13.656 1.00 0.00 O ATOM 0 H GLY A 128 3.237 29.962 -11.541 1.00 0.00 H new ATOM 0 HA2 GLY A 128 3.118 29.133 -13.650 1.00 0.00 H new ATOM 0 HA3 GLY A 128 2.816 27.524 -13.027 1.00 0.00 H new TER 1496 GLY A 128