USER MOD reduce.3.24.130724 H: found=0, std=0, add=854, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 852 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 35 CYS SG : rot 0:sc= 0.0393 USER MOD Set 1.2: A 85 CYS SG : rot 110:sc= 0.319 USER MOD Single : A 1 GLY N :NH3+ 180:sc=0.000172 (180deg=0.000173) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= -0.123 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc=-0.00805 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 12 SER OG : rot 81:sc= 1.06 USER MOD Single : A 16 TYR OH : rot 180:sc= 0 USER MOD Single : A 18 SER OG : rot 56:sc= 0.499 USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 TYR OH : rot 180:sc= 0 USER MOD Single : A 34 THR OG1 : rot 180:sc= 0 USER MOD Single : A 38 CYS SG : rot 180:sc= 0.0265 USER MOD Single : A 47 THR OG1 : rot 23:sc= 0.129 USER MOD Single : A 48 LYS NZ :NH3+ 141:sc= 0 (180deg=-0.134) USER MOD Single : A 56 SER OG : rot 180:sc= -0.0659 USER MOD Single : A 62 GLN : amide:sc= -0.468 X(o=-0.47,f=-0.37) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= -0.116 K(o=-0.12,f=-2.4!) USER MOD Single : A 80 SER OG : rot -79:sc= 1.04 USER MOD Single : A 83 TYR OH : rot 180:sc= 0 USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 93 SER OG : rot 130:sc= -0.0127 USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 99 THR OG1 : rot 180:sc= 0 USER MOD Single : A 107 TYR OH : rot 180:sc= 0 USER MOD Single : A 108 SER OG : rot 180:sc= -0.0472 USER MOD Single : A 111 SER OG : rot 46:sc= 0.822 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 13.415 -13.782 -13.542 1.00 0.00 N ATOM 2 CA GLY A 1 14.700 -13.975 -12.897 1.00 0.00 C ATOM 3 C GLY A 1 15.639 -14.834 -13.721 1.00 0.00 C ATOM 4 O GLY A 1 15.524 -16.060 -13.729 1.00 0.00 O ATOM 0 H1 GLY A 1 12.810 -13.189 -12.939 1.00 0.00 H new ATOM 0 H2 GLY A 1 13.554 -13.314 -14.460 1.00 0.00 H new ATOM 0 H3 GLY A 1 12.958 -14.705 -13.689 1.00 0.00 H new ATOM 0 HA2 GLY A 1 15.163 -13.004 -12.718 1.00 0.00 H new ATOM 0 HA3 GLY A 1 14.548 -14.440 -11.923 1.00 0.00 H new ATOM 8 N SER A 2 16.570 -14.190 -14.418 1.00 0.00 N ATOM 9 CA SER A 2 17.529 -14.903 -15.254 1.00 0.00 C ATOM 10 C SER A 2 18.218 -16.012 -14.465 1.00 0.00 C ATOM 11 O SER A 2 18.253 -15.984 -13.234 1.00 0.00 O ATOM 12 CB SER A 2 18.573 -13.933 -15.810 1.00 0.00 C ATOM 13 OG SER A 2 19.112 -14.409 -17.031 1.00 0.00 O ATOM 0 H SER A 2 16.681 -13.176 -14.420 1.00 0.00 H new ATOM 0 HA SER A 2 16.985 -15.355 -16.084 1.00 0.00 H new ATOM 0 HB2 SER A 2 18.118 -12.955 -15.966 1.00 0.00 H new ATOM 0 HB3 SER A 2 19.374 -13.800 -15.083 1.00 0.00 H new ATOM 0 HG SER A 2 19.775 -13.771 -17.367 1.00 0.00 H new ATOM 19 N SER A 3 18.766 -16.987 -15.182 1.00 0.00 N ATOM 20 CA SER A 3 19.452 -18.108 -14.550 1.00 0.00 C ATOM 21 C SER A 3 20.603 -18.602 -15.422 1.00 0.00 C ATOM 22 O SER A 3 20.690 -18.268 -16.603 1.00 0.00 O ATOM 23 CB SER A 3 18.470 -19.252 -14.287 1.00 0.00 C ATOM 24 OG SER A 3 19.102 -20.320 -13.604 1.00 0.00 O ATOM 0 H SER A 3 18.749 -17.024 -16.201 1.00 0.00 H new ATOM 0 HA SER A 3 19.860 -17.763 -13.600 1.00 0.00 H new ATOM 0 HB2 SER A 3 17.630 -18.886 -13.697 1.00 0.00 H new ATOM 0 HB3 SER A 3 18.063 -19.611 -15.232 1.00 0.00 H new ATOM 0 HG SER A 3 18.453 -21.037 -13.447 1.00 0.00 H new ATOM 30 N GLY A 4 21.485 -19.401 -14.829 1.00 0.00 N ATOM 31 CA GLY A 4 22.619 -19.929 -15.565 1.00 0.00 C ATOM 32 C GLY A 4 23.577 -20.700 -14.679 1.00 0.00 C ATOM 33 O GLY A 4 23.202 -21.705 -14.074 1.00 0.00 O ATOM 0 H GLY A 4 21.434 -19.692 -13.853 1.00 0.00 H new ATOM 0 HA2 GLY A 4 22.260 -20.582 -16.361 1.00 0.00 H new ATOM 0 HA3 GLY A 4 23.152 -19.107 -16.043 1.00 0.00 H new ATOM 37 N SER A 5 24.819 -20.231 -14.603 1.00 0.00 N ATOM 38 CA SER A 5 25.835 -20.887 -13.788 1.00 0.00 C ATOM 39 C SER A 5 25.467 -20.828 -12.309 1.00 0.00 C ATOM 40 O SER A 5 25.494 -21.841 -11.610 1.00 0.00 O ATOM 41 CB SER A 5 27.199 -20.233 -14.013 1.00 0.00 C ATOM 42 OG SER A 5 28.252 -21.122 -13.683 1.00 0.00 O ATOM 0 H SER A 5 25.145 -19.400 -15.096 1.00 0.00 H new ATOM 0 HA SER A 5 25.888 -21.933 -14.089 1.00 0.00 H new ATOM 0 HB2 SER A 5 27.291 -19.926 -15.055 1.00 0.00 H new ATOM 0 HB3 SER A 5 27.277 -19.331 -13.407 1.00 0.00 H new ATOM 0 HG SER A 5 29.113 -20.681 -13.837 1.00 0.00 H new ATOM 48 N SER A 6 25.124 -19.633 -11.839 1.00 0.00 N ATOM 49 CA SER A 6 24.754 -19.439 -10.441 1.00 0.00 C ATOM 50 C SER A 6 23.433 -20.135 -10.127 1.00 0.00 C ATOM 51 O SER A 6 22.604 -20.347 -11.011 1.00 0.00 O ATOM 52 CB SER A 6 24.645 -17.947 -10.123 1.00 0.00 C ATOM 53 OG SER A 6 24.216 -17.740 -8.788 1.00 0.00 O ATOM 0 H SER A 6 25.094 -18.785 -12.405 1.00 0.00 H new ATOM 0 HA SER A 6 25.534 -19.880 -9.820 1.00 0.00 H new ATOM 0 HB2 SER A 6 25.612 -17.468 -10.276 1.00 0.00 H new ATOM 0 HB3 SER A 6 23.943 -17.476 -10.811 1.00 0.00 H new ATOM 0 HG SER A 6 24.156 -16.778 -8.609 1.00 0.00 H new ATOM 59 N GLY A 7 23.245 -20.490 -8.860 1.00 0.00 N ATOM 60 CA GLY A 7 22.024 -21.158 -8.450 1.00 0.00 C ATOM 61 C GLY A 7 21.715 -20.953 -6.980 1.00 0.00 C ATOM 62 O GLY A 7 22.274 -21.634 -6.119 1.00 0.00 O ATOM 0 H GLY A 7 23.917 -20.327 -8.110 1.00 0.00 H new ATOM 0 HA2 GLY A 7 21.192 -20.786 -9.048 1.00 0.00 H new ATOM 0 HA3 GLY A 7 22.111 -22.225 -8.654 1.00 0.00 H new ATOM 66 N THR A 8 20.824 -20.010 -6.690 1.00 0.00 N ATOM 67 CA THR A 8 20.444 -19.715 -5.314 1.00 0.00 C ATOM 68 C THR A 8 19.227 -20.529 -4.893 1.00 0.00 C ATOM 69 O THR A 8 18.288 -20.707 -5.669 1.00 0.00 O ATOM 70 CB THR A 8 20.137 -18.217 -5.125 1.00 0.00 C ATOM 71 OG1 THR A 8 19.815 -17.952 -3.755 1.00 0.00 O ATOM 72 CG2 THR A 8 18.981 -17.786 -6.015 1.00 0.00 C ATOM 0 H THR A 8 20.352 -19.437 -7.390 1.00 0.00 H new ATOM 0 HA THR A 8 21.293 -19.986 -4.687 1.00 0.00 H new ATOM 0 HB THR A 8 21.023 -17.648 -5.406 1.00 0.00 H new ATOM 0 HG1 THR A 8 19.623 -16.998 -3.643 1.00 0.00 H new ATOM 0 HG21 THR A 8 18.782 -16.725 -5.865 1.00 0.00 H new ATOM 0 HG22 THR A 8 19.240 -17.962 -7.059 1.00 0.00 H new ATOM 0 HG23 THR A 8 18.091 -18.362 -5.760 1.00 0.00 H new ATOM 80 N ASP A 9 19.248 -21.021 -3.659 1.00 0.00 N ATOM 81 CA ASP A 9 18.144 -21.816 -3.133 1.00 0.00 C ATOM 82 C ASP A 9 17.193 -20.950 -2.313 1.00 0.00 C ATOM 83 O ASP A 9 16.745 -21.348 -1.238 1.00 0.00 O ATOM 84 CB ASP A 9 18.677 -22.964 -2.274 1.00 0.00 C ATOM 85 CG ASP A 9 17.772 -24.179 -2.306 1.00 0.00 C ATOM 86 OD1 ASP A 9 16.536 -24.001 -2.261 1.00 0.00 O ATOM 87 OD2 ASP A 9 18.299 -25.309 -2.376 1.00 0.00 O ATOM 0 H ASP A 9 20.018 -20.883 -3.004 1.00 0.00 H new ATOM 0 HA ASP A 9 17.593 -22.230 -3.977 1.00 0.00 H new ATOM 0 HB2 ASP A 9 19.670 -23.245 -2.624 1.00 0.00 H new ATOM 0 HB3 ASP A 9 18.787 -22.623 -1.244 1.00 0.00 H new ATOM 92 N VAL A 10 16.890 -19.762 -2.828 1.00 0.00 N ATOM 93 CA VAL A 10 15.992 -18.839 -2.143 1.00 0.00 C ATOM 94 C VAL A 10 14.565 -18.973 -2.663 1.00 0.00 C ATOM 95 O VAL A 10 13.603 -18.828 -1.910 1.00 0.00 O ATOM 96 CB VAL A 10 16.453 -17.379 -2.312 1.00 0.00 C ATOM 97 CG1 VAL A 10 16.516 -17.006 -3.785 1.00 0.00 C ATOM 98 CG2 VAL A 10 15.529 -16.438 -1.554 1.00 0.00 C ATOM 0 H VAL A 10 17.253 -19.416 -3.716 1.00 0.00 H new ATOM 0 HA VAL A 10 16.016 -19.100 -1.085 1.00 0.00 H new ATOM 0 HB VAL A 10 17.455 -17.282 -1.894 1.00 0.00 H new ATOM 0 HG11 VAL A 10 16.844 -15.971 -3.885 1.00 0.00 H new ATOM 0 HG12 VAL A 10 17.222 -17.661 -4.296 1.00 0.00 H new ATOM 0 HG13 VAL A 10 15.528 -17.118 -4.231 1.00 0.00 H new ATOM 0 HG21 VAL A 10 15.869 -15.411 -1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 10 14.514 -16.536 -1.940 1.00 0.00 H new ATOM 0 HG23 VAL A 10 15.540 -16.692 -0.494 1.00 0.00 H new ATOM 108 N SER A 11 14.436 -19.252 -3.957 1.00 0.00 N ATOM 109 CA SER A 11 13.126 -19.402 -4.579 1.00 0.00 C ATOM 110 C SER A 11 12.111 -18.458 -3.943 1.00 0.00 C ATOM 111 O SER A 11 11.004 -18.865 -3.591 1.00 0.00 O ATOM 112 CB SER A 11 12.642 -20.848 -4.454 1.00 0.00 C ATOM 113 OG SER A 11 13.497 -21.734 -5.156 1.00 0.00 O ATOM 0 H SER A 11 15.223 -19.379 -4.594 1.00 0.00 H new ATOM 0 HA SER A 11 13.221 -19.147 -5.635 1.00 0.00 H new ATOM 0 HB2 SER A 11 12.603 -21.132 -3.402 1.00 0.00 H new ATOM 0 HB3 SER A 11 11.628 -20.930 -4.845 1.00 0.00 H new ATOM 0 HG SER A 11 13.167 -22.652 -5.059 1.00 0.00 H new ATOM 119 N SER A 12 12.497 -17.194 -3.800 1.00 0.00 N ATOM 120 CA SER A 12 11.622 -16.191 -3.203 1.00 0.00 C ATOM 121 C SER A 12 11.985 -14.793 -3.695 1.00 0.00 C ATOM 122 O SER A 12 13.134 -14.365 -3.590 1.00 0.00 O ATOM 123 CB SER A 12 11.714 -16.247 -1.677 1.00 0.00 C ATOM 124 OG SER A 12 11.307 -17.513 -1.188 1.00 0.00 O ATOM 0 H SER A 12 13.409 -16.840 -4.089 1.00 0.00 H new ATOM 0 HA SER A 12 10.598 -16.410 -3.506 1.00 0.00 H new ATOM 0 HB2 SER A 12 12.738 -16.045 -1.364 1.00 0.00 H new ATOM 0 HB3 SER A 12 11.088 -15.467 -1.243 1.00 0.00 H new ATOM 0 HG SER A 12 12.045 -18.152 -1.279 1.00 0.00 H new ATOM 130 N TRP A 13 10.996 -14.087 -4.231 1.00 0.00 N ATOM 131 CA TRP A 13 11.210 -12.736 -4.740 1.00 0.00 C ATOM 132 C TRP A 13 11.085 -11.707 -3.621 1.00 0.00 C ATOM 133 O TRP A 13 11.953 -10.850 -3.455 1.00 0.00 O ATOM 134 CB TRP A 13 10.207 -12.423 -5.852 1.00 0.00 C ATOM 135 CG TRP A 13 10.597 -12.995 -7.181 1.00 0.00 C ATOM 136 CD1 TRP A 13 10.014 -14.050 -7.823 1.00 0.00 C ATOM 137 CD2 TRP A 13 11.658 -12.544 -8.030 1.00 0.00 C ATOM 138 NE1 TRP A 13 10.648 -14.281 -9.019 1.00 0.00 N ATOM 139 CE2 TRP A 13 11.660 -13.370 -9.170 1.00 0.00 C ATOM 140 CE3 TRP A 13 12.606 -11.520 -7.939 1.00 0.00 C ATOM 141 CZ2 TRP A 13 12.573 -13.205 -10.208 1.00 0.00 C ATOM 142 CZ3 TRP A 13 13.511 -11.357 -8.970 1.00 0.00 C ATOM 143 CH2 TRP A 13 13.489 -12.195 -10.093 1.00 0.00 C ATOM 0 H TRP A 13 10.039 -14.427 -4.325 1.00 0.00 H new ATOM 0 HA TRP A 13 12.220 -12.683 -5.146 1.00 0.00 H new ATOM 0 HB2 TRP A 13 9.229 -12.813 -5.570 1.00 0.00 H new ATOM 0 HB3 TRP A 13 10.105 -11.342 -5.946 1.00 0.00 H new ATOM 0 HD1 TRP A 13 9.177 -14.619 -7.446 1.00 0.00 H new ATOM 0 HE1 TRP A 13 10.405 -15.013 -9.687 1.00 0.00 H new ATOM 0 HE3 TRP A 13 12.630 -10.868 -7.078 1.00 0.00 H new ATOM 0 HZ2 TRP A 13 12.559 -13.851 -11.073 1.00 0.00 H new ATOM 0 HZ3 TRP A 13 14.248 -10.570 -8.909 1.00 0.00 H new ATOM 0 HH2 TRP A 13 14.209 -12.041 -10.883 1.00 0.00 H new ATOM 154 N ILE A 14 10.002 -11.799 -2.857 1.00 0.00 N ATOM 155 CA ILE A 14 9.766 -10.876 -1.754 1.00 0.00 C ATOM 156 C ILE A 14 10.737 -11.131 -0.606 1.00 0.00 C ATOM 157 O ILE A 14 10.494 -11.983 0.249 1.00 0.00 O ATOM 158 CB ILE A 14 8.323 -10.987 -1.226 1.00 0.00 C ATOM 159 CG1 ILE A 14 7.323 -10.760 -2.361 1.00 0.00 C ATOM 160 CG2 ILE A 14 8.093 -9.989 -0.101 1.00 0.00 C ATOM 161 CD1 ILE A 14 6.022 -11.511 -2.178 1.00 0.00 C ATOM 0 H ILE A 14 9.274 -12.503 -2.981 1.00 0.00 H new ATOM 0 HA ILE A 14 9.925 -9.871 -2.144 1.00 0.00 H new ATOM 0 HB ILE A 14 8.172 -11.991 -0.830 1.00 0.00 H new ATOM 0 HG12 ILE A 14 7.110 -9.694 -2.439 1.00 0.00 H new ATOM 0 HG13 ILE A 14 7.779 -11.064 -3.303 1.00 0.00 H new ATOM 0 HG21 ILE A 14 7.069 -10.079 0.262 1.00 0.00 H new ATOM 0 HG22 ILE A 14 8.786 -10.194 0.715 1.00 0.00 H new ATOM 0 HG23 ILE A 14 8.258 -8.978 -0.472 1.00 0.00 H new ATOM 0 HD11 ILE A 14 5.361 -11.304 -3.019 1.00 0.00 H new ATOM 0 HD12 ILE A 14 6.223 -12.581 -2.130 1.00 0.00 H new ATOM 0 HD13 ILE A 14 5.544 -11.190 -1.253 1.00 0.00 H new ATOM 173 N VAL A 15 11.838 -10.386 -0.593 1.00 0.00 N ATOM 174 CA VAL A 15 12.845 -10.529 0.452 1.00 0.00 C ATOM 175 C VAL A 15 12.332 -10.000 1.786 1.00 0.00 C ATOM 176 O VAL A 15 12.738 -10.469 2.850 1.00 0.00 O ATOM 177 CB VAL A 15 14.144 -9.788 0.084 1.00 0.00 C ATOM 178 CG1 VAL A 15 13.902 -8.288 0.014 1.00 0.00 C ATOM 179 CG2 VAL A 15 15.244 -10.114 1.083 1.00 0.00 C ATOM 0 H VAL A 15 12.055 -9.678 -1.294 1.00 0.00 H new ATOM 0 HA VAL A 15 13.056 -11.594 0.544 1.00 0.00 H new ATOM 0 HB VAL A 15 14.468 -10.125 -0.901 1.00 0.00 H new ATOM 0 HG11 VAL A 15 14.831 -7.781 -0.247 1.00 0.00 H new ATOM 0 HG12 VAL A 15 13.148 -8.076 -0.744 1.00 0.00 H new ATOM 0 HG13 VAL A 15 13.554 -7.930 0.983 1.00 0.00 H new ATOM 0 HG21 VAL A 15 16.155 -9.582 0.808 1.00 0.00 H new ATOM 0 HG22 VAL A 15 14.932 -9.807 2.081 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.435 -11.187 1.077 1.00 0.00 H new ATOM 189 N TYR A 16 11.436 -9.022 1.723 1.00 0.00 N ATOM 190 CA TYR A 16 10.867 -8.427 2.927 1.00 0.00 C ATOM 191 C TYR A 16 9.572 -7.686 2.609 1.00 0.00 C ATOM 192 O TYR A 16 9.410 -7.096 1.541 1.00 0.00 O ATOM 193 CB TYR A 16 11.871 -7.469 3.570 1.00 0.00 C ATOM 194 CG TYR A 16 11.236 -6.460 4.500 1.00 0.00 C ATOM 195 CD1 TYR A 16 10.396 -5.468 4.011 1.00 0.00 C ATOM 196 CD2 TYR A 16 11.476 -6.499 5.868 1.00 0.00 C ATOM 197 CE1 TYR A 16 9.813 -4.544 4.857 1.00 0.00 C ATOM 198 CE2 TYR A 16 10.896 -5.580 6.722 1.00 0.00 C ATOM 199 CZ TYR A 16 10.066 -4.604 6.211 1.00 0.00 C ATOM 200 OH TYR A 16 9.488 -3.686 7.058 1.00 0.00 O ATOM 0 H TYR A 16 11.088 -8.624 0.851 1.00 0.00 H new ATOM 0 HA TYR A 16 10.641 -9.231 3.628 1.00 0.00 H new ATOM 0 HB2 TYR A 16 12.609 -8.048 4.125 1.00 0.00 H new ATOM 0 HB3 TYR A 16 12.408 -6.938 2.784 1.00 0.00 H new ATOM 0 HD1 TYR A 16 10.195 -5.418 2.951 1.00 0.00 H new ATOM 0 HD2 TYR A 16 12.127 -7.261 6.271 1.00 0.00 H new ATOM 0 HE1 TYR A 16 9.163 -3.779 4.460 1.00 0.00 H new ATOM 0 HE2 TYR A 16 11.092 -5.626 7.783 1.00 0.00 H new ATOM 0 HH TYR A 16 9.768 -3.869 7.979 1.00 0.00 H new ATOM 210 N PRO A 17 8.627 -7.715 3.560 1.00 0.00 N ATOM 211 CA PRO A 17 8.808 -8.415 4.835 1.00 0.00 C ATOM 212 C PRO A 17 8.826 -9.930 4.668 1.00 0.00 C ATOM 213 O PRO A 17 8.558 -10.448 3.584 1.00 0.00 O ATOM 214 CB PRO A 17 7.589 -7.981 5.654 1.00 0.00 C ATOM 215 CG PRO A 17 6.557 -7.629 4.639 1.00 0.00 C ATOM 216 CD PRO A 17 7.307 -7.069 3.462 1.00 0.00 C ATOM 0 HA PRO A 17 9.762 -8.170 5.302 1.00 0.00 H new ATOM 0 HB2 PRO A 17 7.245 -8.783 6.307 1.00 0.00 H new ATOM 0 HB3 PRO A 17 7.824 -7.129 6.292 1.00 0.00 H new ATOM 0 HG2 PRO A 17 5.978 -8.506 4.351 1.00 0.00 H new ATOM 0 HG3 PRO A 17 5.852 -6.898 5.036 1.00 0.00 H new ATOM 0 HD2 PRO A 17 6.812 -7.307 2.520 1.00 0.00 H new ATOM 0 HD3 PRO A 17 7.386 -5.983 3.515 1.00 0.00 H new ATOM 224 N SER A 18 9.142 -10.637 5.749 1.00 0.00 N ATOM 225 CA SER A 18 9.198 -12.093 5.720 1.00 0.00 C ATOM 226 C SER A 18 8.004 -12.697 6.452 1.00 0.00 C ATOM 227 O SER A 18 8.160 -13.364 7.474 1.00 0.00 O ATOM 228 CB SER A 18 10.501 -12.587 6.352 1.00 0.00 C ATOM 229 OG SER A 18 10.591 -12.193 7.710 1.00 0.00 O ATOM 0 H SER A 18 9.363 -10.224 6.655 1.00 0.00 H new ATOM 0 HA SER A 18 9.163 -12.413 4.679 1.00 0.00 H new ATOM 0 HB2 SER A 18 10.554 -13.673 6.281 1.00 0.00 H new ATOM 0 HB3 SER A 18 11.351 -12.189 5.798 1.00 0.00 H new ATOM 0 HG SER A 18 9.804 -12.515 8.197 1.00 0.00 H new ATOM 235 N GLY A 19 6.809 -12.458 5.920 1.00 0.00 N ATOM 236 CA GLY A 19 5.604 -12.984 6.535 1.00 0.00 C ATOM 237 C GLY A 19 4.434 -12.027 6.431 1.00 0.00 C ATOM 238 O GLY A 19 4.294 -11.310 5.439 1.00 0.00 O ATOM 0 H GLY A 19 6.654 -11.910 5.074 1.00 0.00 H new ATOM 0 HA2 GLY A 19 5.340 -13.929 6.059 1.00 0.00 H new ATOM 0 HA3 GLY A 19 5.800 -13.200 7.585 1.00 0.00 H new ATOM 242 N LYS A 20 3.589 -12.014 7.456 1.00 0.00 N ATOM 243 CA LYS A 20 2.424 -11.137 7.477 1.00 0.00 C ATOM 244 C LYS A 20 2.717 -9.861 8.259 1.00 0.00 C ATOM 245 O LYS A 20 3.458 -9.879 9.242 1.00 0.00 O ATOM 246 CB LYS A 20 1.226 -11.862 8.095 1.00 0.00 C ATOM 247 CG LYS A 20 0.445 -12.703 7.099 1.00 0.00 C ATOM 248 CD LYS A 20 -0.997 -12.893 7.540 1.00 0.00 C ATOM 249 CE LYS A 20 -1.802 -13.655 6.498 1.00 0.00 C ATOM 250 NZ LYS A 20 -1.648 -15.129 6.646 1.00 0.00 N ATOM 0 H LYS A 20 3.689 -12.601 8.284 1.00 0.00 H new ATOM 0 HA LYS A 20 2.187 -10.865 6.448 1.00 0.00 H new ATOM 0 HB2 LYS A 20 1.577 -12.504 8.903 1.00 0.00 H new ATOM 0 HB3 LYS A 20 0.557 -11.126 8.540 1.00 0.00 H new ATOM 0 HG2 LYS A 20 0.467 -12.224 6.120 1.00 0.00 H new ATOM 0 HG3 LYS A 20 0.924 -13.676 6.988 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -1.021 -13.433 8.487 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -1.456 -11.920 7.716 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -2.855 -13.389 6.587 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -1.481 -13.355 5.501 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -2.212 -15.612 5.918 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -0.646 -15.386 6.535 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -1.978 -15.420 7.588 1.00 0.00 H new ATOM 264 N VAL A 21 2.130 -8.753 7.817 1.00 0.00 N ATOM 265 CA VAL A 21 2.326 -7.468 8.477 1.00 0.00 C ATOM 266 C VAL A 21 1.001 -6.739 8.666 1.00 0.00 C ATOM 267 O VAL A 21 0.187 -6.661 7.745 1.00 0.00 O ATOM 268 CB VAL A 21 3.286 -6.567 7.677 1.00 0.00 C ATOM 269 CG1 VAL A 21 3.416 -5.204 8.340 1.00 0.00 C ATOM 270 CG2 VAL A 21 4.646 -7.232 7.535 1.00 0.00 C ATOM 0 H VAL A 21 1.515 -8.720 7.004 1.00 0.00 H new ATOM 0 HA VAL A 21 2.764 -7.677 9.453 1.00 0.00 H new ATOM 0 HB VAL A 21 2.873 -6.421 6.679 1.00 0.00 H new ATOM 0 HG11 VAL A 21 4.098 -4.581 7.761 1.00 0.00 H new ATOM 0 HG12 VAL A 21 2.437 -4.726 8.384 1.00 0.00 H new ATOM 0 HG13 VAL A 21 3.806 -5.327 9.350 1.00 0.00 H new ATOM 0 HG21 VAL A 21 5.311 -6.582 6.967 1.00 0.00 H new ATOM 0 HG22 VAL A 21 5.069 -7.410 8.524 1.00 0.00 H new ATOM 0 HG23 VAL A 21 4.534 -8.182 7.012 1.00 0.00 H new ATOM 280 N TYR A 22 0.790 -6.207 9.864 1.00 0.00 N ATOM 281 CA TYR A 22 -0.438 -5.485 10.175 1.00 0.00 C ATOM 282 C TYR A 22 -0.199 -3.978 10.179 1.00 0.00 C ATOM 283 O TYR A 22 0.827 -3.502 10.665 1.00 0.00 O ATOM 284 CB TYR A 22 -0.985 -5.929 11.533 1.00 0.00 C ATOM 285 CG TYR A 22 -1.736 -7.240 11.484 1.00 0.00 C ATOM 286 CD1 TYR A 22 -1.185 -8.356 10.866 1.00 0.00 C ATOM 287 CD2 TYR A 22 -2.996 -7.363 12.056 1.00 0.00 C ATOM 288 CE1 TYR A 22 -1.868 -9.556 10.819 1.00 0.00 C ATOM 289 CE2 TYR A 22 -3.686 -8.560 12.015 1.00 0.00 C ATOM 290 CZ TYR A 22 -3.118 -9.653 11.394 1.00 0.00 C ATOM 291 OH TYR A 22 -3.801 -10.847 11.350 1.00 0.00 O ATOM 0 H TYR A 22 1.454 -6.262 10.637 1.00 0.00 H new ATOM 0 HA TYR A 22 -1.171 -5.716 9.402 1.00 0.00 H new ATOM 0 HB2 TYR A 22 -0.157 -6.020 12.236 1.00 0.00 H new ATOM 0 HB3 TYR A 22 -1.648 -5.155 11.919 1.00 0.00 H new ATOM 0 HD1 TYR A 22 -0.206 -8.284 10.415 1.00 0.00 H new ATOM 0 HD2 TYR A 22 -3.444 -6.509 12.541 1.00 0.00 H new ATOM 0 HE1 TYR A 22 -1.425 -10.414 10.334 1.00 0.00 H new ATOM 0 HE2 TYR A 22 -4.664 -8.639 12.466 1.00 0.00 H new ATOM 0 HH TYR A 22 -4.665 -10.746 11.801 1.00 0.00 H new ATOM 301 N VAL A 23 -1.154 -3.233 9.632 1.00 0.00 N ATOM 302 CA VAL A 23 -1.050 -1.780 9.573 1.00 0.00 C ATOM 303 C VAL A 23 -2.406 -1.122 9.802 1.00 0.00 C ATOM 304 O VAL A 23 -3.406 -1.513 9.201 1.00 0.00 O ATOM 305 CB VAL A 23 -0.486 -1.312 8.218 1.00 0.00 C ATOM 306 CG1 VAL A 23 -0.328 0.200 8.199 1.00 0.00 C ATOM 307 CG2 VAL A 23 0.839 -1.999 7.927 1.00 0.00 C ATOM 0 H VAL A 23 -2.008 -3.612 9.223 1.00 0.00 H new ATOM 0 HA VAL A 23 -0.365 -1.479 10.366 1.00 0.00 H new ATOM 0 HB VAL A 23 -1.192 -1.589 7.435 1.00 0.00 H new ATOM 0 HG11 VAL A 23 0.072 0.512 7.234 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -1.299 0.669 8.359 1.00 0.00 H new ATOM 0 HG13 VAL A 23 0.357 0.504 8.991 1.00 0.00 H new ATOM 0 HG21 VAL A 23 1.223 -1.657 6.966 1.00 0.00 H new ATOM 0 HG22 VAL A 23 1.555 -1.755 8.712 1.00 0.00 H new ATOM 0 HG23 VAL A 23 0.690 -3.078 7.894 1.00 0.00 H new ATOM 317 N ALA A 24 -2.432 -0.120 10.674 1.00 0.00 N ATOM 318 CA ALA A 24 -3.665 0.595 10.980 1.00 0.00 C ATOM 319 C ALA A 24 -3.666 1.983 10.348 1.00 0.00 C ATOM 320 O ALA A 24 -2.681 2.715 10.433 1.00 0.00 O ATOM 321 CB ALA A 24 -3.854 0.698 12.487 1.00 0.00 C ATOM 0 H ALA A 24 -1.613 0.215 11.181 1.00 0.00 H new ATOM 0 HA ALA A 24 -4.498 0.032 10.558 1.00 0.00 H new ATOM 0 HB1 ALA A 24 -4.778 1.234 12.702 1.00 0.00 H new ATOM 0 HB2 ALA A 24 -3.907 -0.303 12.916 1.00 0.00 H new ATOM 0 HB3 ALA A 24 -3.013 1.236 12.923 1.00 0.00 H new ATOM 327 N ALA A 25 -4.779 2.338 9.714 1.00 0.00 N ATOM 328 CA ALA A 25 -4.909 3.638 9.069 1.00 0.00 C ATOM 329 C ALA A 25 -6.196 4.336 9.495 1.00 0.00 C ATOM 330 O ALA A 25 -7.002 3.776 10.237 1.00 0.00 O ATOM 331 CB ALA A 25 -4.865 3.484 7.556 1.00 0.00 C ATOM 0 H ALA A 25 -5.604 1.743 9.634 1.00 0.00 H new ATOM 0 HA ALA A 25 -4.069 4.258 9.384 1.00 0.00 H new ATOM 0 HB1 ALA A 25 -4.963 4.463 7.088 1.00 0.00 H new ATOM 0 HB2 ALA A 25 -3.916 3.035 7.263 1.00 0.00 H new ATOM 0 HB3 ALA A 25 -5.685 2.843 7.232 1.00 0.00 H new ATOM 337 N VAL A 26 -6.383 5.564 9.020 1.00 0.00 N ATOM 338 CA VAL A 26 -7.573 6.338 9.351 1.00 0.00 C ATOM 339 C VAL A 26 -8.127 7.048 8.120 1.00 0.00 C ATOM 340 O VAL A 26 -7.410 7.272 7.145 1.00 0.00 O ATOM 341 CB VAL A 26 -7.277 7.384 10.442 1.00 0.00 C ATOM 342 CG1 VAL A 26 -8.544 7.728 11.210 1.00 0.00 C ATOM 343 CG2 VAL A 26 -6.194 6.878 11.383 1.00 0.00 C ATOM 0 H VAL A 26 -5.725 6.043 8.405 1.00 0.00 H new ATOM 0 HA VAL A 26 -8.315 5.633 9.725 1.00 0.00 H new ATOM 0 HB VAL A 26 -6.915 8.293 9.962 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -8.315 8.468 11.977 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -9.287 8.134 10.523 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -8.939 6.828 11.681 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -5.997 7.629 12.148 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -6.527 5.955 11.858 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -5.281 6.687 10.818 1.00 0.00 H new ATOM 353 N ARG A 27 -9.408 7.399 8.173 1.00 0.00 N ATOM 354 CA ARG A 27 -10.059 8.083 7.062 1.00 0.00 C ATOM 355 C ARG A 27 -9.165 9.187 6.504 1.00 0.00 C ATOM 356 O ARG A 27 -8.905 10.187 7.174 1.00 0.00 O ATOM 357 CB ARG A 27 -11.396 8.673 7.512 1.00 0.00 C ATOM 358 CG ARG A 27 -12.380 8.890 6.373 1.00 0.00 C ATOM 359 CD ARG A 27 -13.818 8.755 6.847 1.00 0.00 C ATOM 360 NE ARG A 27 -14.258 9.926 7.602 1.00 0.00 N ATOM 361 CZ ARG A 27 -14.592 11.081 7.038 1.00 0.00 C ATOM 362 NH1 ARG A 27 -14.536 11.221 5.721 1.00 0.00 N ATOM 363 NH2 ARG A 27 -14.982 12.101 7.793 1.00 0.00 N ATOM 0 H ARG A 27 -10.015 7.221 8.973 1.00 0.00 H new ATOM 0 HA ARG A 27 -10.239 7.352 6.274 1.00 0.00 H new ATOM 0 HB2 ARG A 27 -11.847 8.009 8.249 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -11.214 9.625 8.010 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -12.229 9.880 5.944 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -12.187 8.166 5.581 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -14.471 8.612 5.986 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -13.912 7.866 7.470 1.00 0.00 H new ATOM 0 HE ARG A 27 -14.312 9.852 8.618 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -14.236 10.440 5.137 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -14.793 12.110 5.291 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -15.025 11.998 8.807 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -15.238 12.988 7.359 1.00 0.00 H new ATOM 377 N LEU A 28 -8.698 8.998 5.275 1.00 0.00 N ATOM 378 CA LEU A 28 -7.832 9.978 4.627 1.00 0.00 C ATOM 379 C LEU A 28 -6.493 10.084 5.350 1.00 0.00 C ATOM 380 O LEU A 28 -6.004 11.183 5.611 1.00 0.00 O ATOM 381 CB LEU A 28 -8.516 11.346 4.591 1.00 0.00 C ATOM 382 CG LEU A 28 -9.969 11.359 4.118 1.00 0.00 C ATOM 383 CD1 LEU A 28 -10.649 12.660 4.515 1.00 0.00 C ATOM 384 CD2 LEU A 28 -10.042 11.155 2.612 1.00 0.00 C ATOM 0 H LEU A 28 -8.904 8.176 4.707 1.00 0.00 H new ATOM 0 HA LEU A 28 -7.646 9.644 3.606 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -8.477 11.775 5.592 1.00 0.00 H new ATOM 0 HB3 LEU A 28 -7.938 12.002 3.940 1.00 0.00 H new ATOM 0 HG LEU A 28 -10.495 10.536 4.602 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -11.683 12.650 4.169 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -10.630 12.764 5.600 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -10.122 13.499 4.061 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -11.084 11.167 2.293 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -9.500 11.956 2.110 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -9.594 10.196 2.353 1.00 0.00 H new ATOM 396 N GLU A 29 -5.906 8.935 5.668 1.00 0.00 N ATOM 397 CA GLU A 29 -4.622 8.900 6.359 1.00 0.00 C ATOM 398 C GLU A 29 -3.487 8.604 5.383 1.00 0.00 C ATOM 399 O GLU A 29 -3.712 8.081 4.292 1.00 0.00 O ATOM 400 CB GLU A 29 -4.643 7.846 7.468 1.00 0.00 C ATOM 401 CG GLU A 29 -3.345 7.762 8.253 1.00 0.00 C ATOM 402 CD GLU A 29 -3.053 9.029 9.034 1.00 0.00 C ATOM 403 OE1 GLU A 29 -3.894 9.419 9.870 1.00 0.00 O ATOM 404 OE2 GLU A 29 -1.982 9.630 8.808 1.00 0.00 O ATOM 0 H GLU A 29 -6.298 8.017 5.459 1.00 0.00 H new ATOM 0 HA GLU A 29 -4.450 9.881 6.803 1.00 0.00 H new ATOM 0 HB2 GLU A 29 -5.459 8.070 8.155 1.00 0.00 H new ATOM 0 HB3 GLU A 29 -4.855 6.872 7.028 1.00 0.00 H new ATOM 0 HG2 GLU A 29 -3.395 6.919 8.942 1.00 0.00 H new ATOM 0 HG3 GLU A 29 -2.522 7.565 7.567 1.00 0.00 H new ATOM 411 N ARG A 30 -2.266 8.944 5.784 1.00 0.00 N ATOM 412 CA ARG A 30 -1.095 8.717 4.945 1.00 0.00 C ATOM 413 C ARG A 30 -0.323 7.486 5.411 1.00 0.00 C ATOM 414 O ARG A 30 0.418 7.539 6.392 1.00 0.00 O ATOM 415 CB ARG A 30 -0.181 9.943 4.966 1.00 0.00 C ATOM 416 CG ARG A 30 1.012 9.830 4.031 1.00 0.00 C ATOM 417 CD ARG A 30 2.210 9.206 4.730 1.00 0.00 C ATOM 418 NE ARG A 30 3.411 9.251 3.901 1.00 0.00 N ATOM 419 CZ ARG A 30 4.213 10.308 3.826 1.00 0.00 C ATOM 420 NH1 ARG A 30 3.942 11.401 4.526 1.00 0.00 N ATOM 421 NH2 ARG A 30 5.288 10.272 3.049 1.00 0.00 N ATOM 0 H ARG A 30 -2.062 9.378 6.684 1.00 0.00 H new ATOM 0 HA ARG A 30 -1.438 8.545 3.925 1.00 0.00 H new ATOM 0 HB2 ARG A 30 -0.763 10.824 4.694 1.00 0.00 H new ATOM 0 HB3 ARG A 30 0.179 10.100 5.983 1.00 0.00 H new ATOM 0 HG2 ARG A 30 0.741 9.228 3.164 1.00 0.00 H new ATOM 0 HG3 ARG A 30 1.280 10.819 3.660 1.00 0.00 H new ATOM 0 HD2 ARG A 30 2.397 9.730 5.667 1.00 0.00 H new ATOM 0 HD3 ARG A 30 1.983 8.171 4.984 1.00 0.00 H new ATOM 0 HE ARG A 30 3.647 8.426 3.349 1.00 0.00 H new ATOM 0 HH11 ARG A 30 3.116 11.432 5.124 1.00 0.00 H new ATOM 0 HH12 ARG A 30 4.559 12.211 4.467 1.00 0.00 H new ATOM 0 HH21 ARG A 30 5.499 9.433 2.509 1.00 0.00 H new ATOM 0 HH22 ARG A 30 5.903 11.084 2.992 1.00 0.00 H new ATOM 435 N VAL A 31 -0.503 6.377 4.699 1.00 0.00 N ATOM 436 CA VAL A 31 0.177 5.133 5.039 1.00 0.00 C ATOM 437 C VAL A 31 1.391 4.909 4.145 1.00 0.00 C ATOM 438 O VAL A 31 1.490 5.479 3.059 1.00 0.00 O ATOM 439 CB VAL A 31 -0.770 3.924 4.913 1.00 0.00 C ATOM 440 CG1 VAL A 31 -2.018 4.132 5.757 1.00 0.00 C ATOM 441 CG2 VAL A 31 -1.136 3.684 3.456 1.00 0.00 C ATOM 0 H VAL A 31 -1.113 6.315 3.884 1.00 0.00 H new ATOM 0 HA VAL A 31 0.504 5.223 6.075 1.00 0.00 H new ATOM 0 HB VAL A 31 -0.253 3.040 5.285 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -2.674 3.268 5.655 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.734 4.251 6.803 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.541 5.027 5.419 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -1.805 2.827 3.385 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -1.634 4.567 3.056 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -0.231 3.486 2.881 1.00 0.00 H new ATOM 451 N VAL A 32 2.315 4.073 4.610 1.00 0.00 N ATOM 452 CA VAL A 32 3.524 3.772 3.853 1.00 0.00 C ATOM 453 C VAL A 32 3.912 2.305 3.999 1.00 0.00 C ATOM 454 O VAL A 32 4.394 1.881 5.051 1.00 0.00 O ATOM 455 CB VAL A 32 4.704 4.652 4.305 1.00 0.00 C ATOM 456 CG1 VAL A 32 5.974 4.266 3.562 1.00 0.00 C ATOM 457 CG2 VAL A 32 4.380 6.124 4.098 1.00 0.00 C ATOM 0 H VAL A 32 2.249 3.593 5.507 1.00 0.00 H new ATOM 0 HA VAL A 32 3.303 3.984 2.807 1.00 0.00 H new ATOM 0 HB VAL A 32 4.871 4.487 5.369 1.00 0.00 H new ATOM 0 HG11 VAL A 32 6.797 4.899 3.895 1.00 0.00 H new ATOM 0 HG12 VAL A 32 6.213 3.222 3.767 1.00 0.00 H new ATOM 0 HG13 VAL A 32 5.824 4.400 2.491 1.00 0.00 H new ATOM 0 HG21 VAL A 32 5.225 6.732 4.423 1.00 0.00 H new ATOM 0 HG22 VAL A 32 4.185 6.309 3.042 1.00 0.00 H new ATOM 0 HG23 VAL A 32 3.498 6.388 4.681 1.00 0.00 H new ATOM 467 N LEU A 33 3.701 1.534 2.938 1.00 0.00 N ATOM 468 CA LEU A 33 4.030 0.113 2.948 1.00 0.00 C ATOM 469 C LEU A 33 5.495 -0.110 2.584 1.00 0.00 C ATOM 470 O LEU A 33 6.023 0.525 1.670 1.00 0.00 O ATOM 471 CB LEU A 33 3.130 -0.646 1.971 1.00 0.00 C ATOM 472 CG LEU A 33 1.828 -1.201 2.551 1.00 0.00 C ATOM 473 CD1 LEU A 33 1.157 -0.167 3.442 1.00 0.00 C ATOM 474 CD2 LEU A 33 0.890 -1.636 1.435 1.00 0.00 C ATOM 0 H LEU A 33 3.304 1.869 2.060 1.00 0.00 H new ATOM 0 HA LEU A 33 3.863 -0.266 3.956 1.00 0.00 H new ATOM 0 HB2 LEU A 33 2.882 0.020 1.145 1.00 0.00 H new ATOM 0 HB3 LEU A 33 3.700 -1.475 1.552 1.00 0.00 H new ATOM 0 HG LEU A 33 2.066 -2.074 3.159 1.00 0.00 H new ATOM 0 HD11 LEU A 33 0.232 -0.580 3.846 1.00 0.00 H new ATOM 0 HD12 LEU A 33 1.826 0.095 4.262 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.932 0.725 2.858 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -0.031 -2.028 1.866 1.00 0.00 H new ATOM 0 HD22 LEU A 33 0.658 -0.781 0.800 1.00 0.00 H new ATOM 0 HD23 LEU A 33 1.370 -2.411 0.838 1.00 0.00 H new ATOM 486 N THR A 34 6.147 -1.018 3.304 1.00 0.00 N ATOM 487 CA THR A 34 7.550 -1.325 3.056 1.00 0.00 C ATOM 488 C THR A 34 7.710 -2.718 2.458 1.00 0.00 C ATOM 489 O THR A 34 7.419 -3.721 3.111 1.00 0.00 O ATOM 490 CB THR A 34 8.381 -1.235 4.350 1.00 0.00 C ATOM 491 OG1 THR A 34 8.026 -0.056 5.080 1.00 0.00 O ATOM 492 CG2 THR A 34 9.870 -1.215 4.037 1.00 0.00 C ATOM 0 H THR A 34 5.726 -1.553 4.063 1.00 0.00 H new ATOM 0 HA THR A 34 7.916 -0.584 2.346 1.00 0.00 H new ATOM 0 HB THR A 34 8.165 -2.115 4.956 1.00 0.00 H new ATOM 0 HG1 THR A 34 8.558 -0.008 5.902 1.00 0.00 H new ATOM 0 HG21 THR A 34 10.436 -1.151 4.966 1.00 0.00 H new ATOM 0 HG22 THR A 34 10.143 -2.128 3.508 1.00 0.00 H new ATOM 0 HG23 THR A 34 10.099 -0.351 3.412 1.00 0.00 H new ATOM 500 N CYS A 35 8.175 -2.773 1.215 1.00 0.00 N ATOM 501 CA CYS A 35 8.375 -4.045 0.529 1.00 0.00 C ATOM 502 C CYS A 35 9.682 -4.040 -0.256 1.00 0.00 C ATOM 503 O CYS A 35 9.801 -3.362 -1.277 1.00 0.00 O ATOM 504 CB CYS A 35 7.202 -4.330 -0.410 1.00 0.00 C ATOM 505 SG CYS A 35 6.855 -6.089 -0.645 1.00 0.00 S ATOM 0 H CYS A 35 8.421 -1.952 0.662 1.00 0.00 H new ATOM 0 HA CYS A 35 8.428 -4.832 1.281 1.00 0.00 H new ATOM 0 HB2 CYS A 35 6.309 -3.844 -0.017 1.00 0.00 H new ATOM 0 HB3 CYS A 35 7.409 -3.879 -1.380 1.00 0.00 H new ATOM 0 HG CYS A 35 7.694 -6.794 0.054 1.00 0.00 H new ATOM 511 N GLU A 36 10.660 -4.799 0.228 1.00 0.00 N ATOM 512 CA GLU A 36 11.960 -4.879 -0.428 1.00 0.00 C ATOM 513 C GLU A 36 12.028 -6.089 -1.355 1.00 0.00 C ATOM 514 O GLU A 36 11.187 -6.987 -1.286 1.00 0.00 O ATOM 515 CB GLU A 36 13.078 -4.957 0.613 1.00 0.00 C ATOM 516 CG GLU A 36 14.472 -4.849 0.019 1.00 0.00 C ATOM 517 CD GLU A 36 15.468 -4.224 0.977 1.00 0.00 C ATOM 518 OE1 GLU A 36 16.007 -4.958 1.833 1.00 0.00 O ATOM 519 OE2 GLU A 36 15.709 -3.004 0.871 1.00 0.00 O ATOM 0 H GLU A 36 10.577 -5.367 1.071 1.00 0.00 H new ATOM 0 HA GLU A 36 12.093 -3.977 -1.026 1.00 0.00 H new ATOM 0 HB2 GLU A 36 12.940 -4.159 1.342 1.00 0.00 H new ATOM 0 HB3 GLU A 36 12.995 -5.900 1.153 1.00 0.00 H new ATOM 0 HG2 GLU A 36 14.820 -5.842 -0.264 1.00 0.00 H new ATOM 0 HG3 GLU A 36 14.429 -4.254 -0.893 1.00 0.00 H new ATOM 526 N LEU A 37 13.034 -6.107 -2.223 1.00 0.00 N ATOM 527 CA LEU A 37 13.212 -7.206 -3.165 1.00 0.00 C ATOM 528 C LEU A 37 14.677 -7.623 -3.244 1.00 0.00 C ATOM 529 O LEU A 37 15.570 -6.864 -2.865 1.00 0.00 O ATOM 530 CB LEU A 37 12.710 -6.802 -4.552 1.00 0.00 C ATOM 531 CG LEU A 37 11.291 -6.235 -4.613 1.00 0.00 C ATOM 532 CD1 LEU A 37 10.977 -5.731 -6.013 1.00 0.00 C ATOM 533 CD2 LEU A 37 10.277 -7.285 -4.182 1.00 0.00 C ATOM 0 H LEU A 37 13.739 -5.373 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 37 12.630 -8.055 -2.808 1.00 0.00 H new ATOM 0 HB2 LEU A 37 13.394 -6.059 -4.962 1.00 0.00 H new ATOM 0 HB3 LEU A 37 12.759 -7.675 -5.203 1.00 0.00 H new ATOM 0 HG LEU A 37 11.227 -5.393 -3.923 1.00 0.00 H new ATOM 0 HD11 LEU A 37 9.963 -5.331 -6.037 1.00 0.00 H new ATOM 0 HD12 LEU A 37 11.683 -4.946 -6.284 1.00 0.00 H new ATOM 0 HD13 LEU A 37 11.059 -6.554 -6.723 1.00 0.00 H new ATOM 0 HD21 LEU A 37 9.273 -6.863 -4.232 1.00 0.00 H new ATOM 0 HD22 LEU A 37 10.342 -8.147 -4.846 1.00 0.00 H new ATOM 0 HD23 LEU A 37 10.489 -7.597 -3.159 1.00 0.00 H new ATOM 545 N CYS A 38 14.917 -8.832 -3.740 1.00 0.00 N ATOM 546 CA CYS A 38 16.275 -9.349 -3.870 1.00 0.00 C ATOM 547 C CYS A 38 16.887 -8.938 -5.206 1.00 0.00 C ATOM 548 O CYS A 38 17.968 -9.400 -5.572 1.00 0.00 O ATOM 549 CB CYS A 38 16.276 -10.873 -3.742 1.00 0.00 C ATOM 550 SG CYS A 38 15.329 -11.723 -5.026 1.00 0.00 S ATOM 0 H CYS A 38 14.190 -9.472 -4.059 1.00 0.00 H new ATOM 0 HA CYS A 38 16.879 -8.924 -3.068 1.00 0.00 H new ATOM 0 HB2 CYS A 38 17.306 -11.228 -3.770 1.00 0.00 H new ATOM 0 HB3 CYS A 38 15.871 -11.145 -2.767 1.00 0.00 H new ATOM 0 HG CYS A 38 15.392 -13.007 -4.833 1.00 0.00 H new ATOM 556 N ARG A 39 16.188 -8.070 -5.929 1.00 0.00 N ATOM 557 CA ARG A 39 16.662 -7.600 -7.225 1.00 0.00 C ATOM 558 C ARG A 39 16.241 -6.153 -7.465 1.00 0.00 C ATOM 559 O ARG A 39 15.126 -5.743 -7.142 1.00 0.00 O ATOM 560 CB ARG A 39 16.121 -8.492 -8.344 1.00 0.00 C ATOM 561 CG ARG A 39 16.879 -9.800 -8.501 1.00 0.00 C ATOM 562 CD ARG A 39 18.271 -9.573 -9.070 1.00 0.00 C ATOM 563 NE ARG A 39 19.152 -10.713 -8.833 1.00 0.00 N ATOM 564 CZ ARG A 39 20.392 -10.793 -9.302 1.00 0.00 C ATOM 565 NH1 ARG A 39 20.895 -9.805 -10.029 1.00 0.00 N ATOM 566 NH2 ARG A 39 21.132 -11.864 -9.044 1.00 0.00 N ATOM 0 H ARG A 39 15.292 -7.678 -5.640 1.00 0.00 H new ATOM 0 HA ARG A 39 17.751 -7.649 -7.225 1.00 0.00 H new ATOM 0 HB2 ARG A 39 15.072 -8.711 -8.147 1.00 0.00 H new ATOM 0 HB3 ARG A 39 16.161 -7.944 -9.285 1.00 0.00 H new ATOM 0 HG2 ARG A 39 16.957 -10.295 -7.533 1.00 0.00 H new ATOM 0 HG3 ARG A 39 16.321 -10.468 -9.157 1.00 0.00 H new ATOM 0 HD2 ARG A 39 18.199 -9.388 -10.142 1.00 0.00 H new ATOM 0 HD3 ARG A 39 18.705 -8.680 -8.621 1.00 0.00 H new ATOM 0 HE ARG A 39 18.796 -11.490 -8.277 1.00 0.00 H new ATOM 0 HH11 ARG A 39 20.329 -8.980 -10.230 1.00 0.00 H new ATOM 0 HH12 ARG A 39 21.848 -9.870 -10.388 1.00 0.00 H new ATOM 0 HH21 ARG A 39 20.749 -12.626 -8.485 1.00 0.00 H new ATOM 0 HH22 ARG A 39 22.084 -11.925 -9.404 1.00 0.00 H new ATOM 580 N PRO A 40 17.153 -5.359 -8.046 1.00 0.00 N ATOM 581 CA PRO A 40 16.899 -3.946 -8.342 1.00 0.00 C ATOM 582 C PRO A 40 15.883 -3.763 -9.464 1.00 0.00 C ATOM 583 O PRO A 40 14.917 -3.012 -9.322 1.00 0.00 O ATOM 584 CB PRO A 40 18.272 -3.422 -8.774 1.00 0.00 C ATOM 585 CG PRO A 40 18.992 -4.623 -9.283 1.00 0.00 C ATOM 586 CD PRO A 40 18.502 -5.781 -8.458 1.00 0.00 C ATOM 0 HA PRO A 40 16.476 -3.420 -7.486 1.00 0.00 H new ATOM 0 HB2 PRO A 40 18.179 -2.659 -9.547 1.00 0.00 H new ATOM 0 HB3 PRO A 40 18.803 -2.967 -7.938 1.00 0.00 H new ATOM 0 HG2 PRO A 40 18.785 -4.783 -10.341 1.00 0.00 H new ATOM 0 HG3 PRO A 40 20.071 -4.502 -9.184 1.00 0.00 H new ATOM 0 HD2 PRO A 40 18.475 -6.704 -9.037 1.00 0.00 H new ATOM 0 HD3 PRO A 40 19.146 -5.963 -7.598 1.00 0.00 H new ATOM 594 N TRP A 41 16.106 -4.452 -10.577 1.00 0.00 N ATOM 595 CA TRP A 41 15.208 -4.364 -11.723 1.00 0.00 C ATOM 596 C TRP A 41 14.026 -5.315 -11.562 1.00 0.00 C ATOM 597 O TRP A 41 13.469 -5.799 -12.547 1.00 0.00 O ATOM 598 CB TRP A 41 15.963 -4.683 -13.014 1.00 0.00 C ATOM 599 CG TRP A 41 17.030 -5.721 -12.837 1.00 0.00 C ATOM 600 CD1 TRP A 41 18.375 -5.506 -12.745 1.00 0.00 C ATOM 601 CD2 TRP A 41 16.840 -7.136 -12.734 1.00 0.00 C ATOM 602 NE1 TRP A 41 19.033 -6.702 -12.591 1.00 0.00 N ATOM 603 CE2 TRP A 41 18.114 -7.717 -12.579 1.00 0.00 C ATOM 604 CE3 TRP A 41 15.718 -7.969 -12.754 1.00 0.00 C ATOM 605 CZ2 TRP A 41 18.294 -9.092 -12.448 1.00 0.00 C ATOM 606 CZ3 TRP A 41 15.898 -9.333 -12.623 1.00 0.00 C ATOM 607 CH2 TRP A 41 17.178 -9.883 -12.471 1.00 0.00 C ATOM 0 H TRP A 41 16.900 -5.078 -10.711 1.00 0.00 H new ATOM 0 HA TRP A 41 14.826 -3.345 -11.777 1.00 0.00 H new ATOM 0 HB2 TRP A 41 15.253 -5.027 -13.766 1.00 0.00 H new ATOM 0 HB3 TRP A 41 16.416 -3.768 -13.397 1.00 0.00 H new ATOM 0 HD1 TRP A 41 18.852 -4.538 -12.787 1.00 0.00 H new ATOM 0 HE1 TRP A 41 20.043 -6.816 -12.500 1.00 0.00 H new ATOM 0 HE3 TRP A 41 14.728 -7.554 -12.870 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 19.279 -9.518 -12.332 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 15.038 -9.986 -12.638 1.00 0.00 H new ATOM 0 HH2 TRP A 41 17.286 -10.953 -12.370 1.00 0.00 H new ATOM 618 N ALA A 42 13.649 -5.577 -10.315 1.00 0.00 N ATOM 619 CA ALA A 42 12.532 -6.468 -10.027 1.00 0.00 C ATOM 620 C ALA A 42 11.234 -5.685 -9.858 1.00 0.00 C ATOM 621 O ALA A 42 11.056 -4.967 -8.875 1.00 0.00 O ATOM 622 CB ALA A 42 12.821 -7.290 -8.780 1.00 0.00 C ATOM 0 H ALA A 42 14.100 -5.185 -9.489 1.00 0.00 H new ATOM 0 HA ALA A 42 12.410 -7.143 -10.874 1.00 0.00 H new ATOM 0 HB1 ALA A 42 11.978 -7.951 -8.577 1.00 0.00 H new ATOM 0 HB2 ALA A 42 13.720 -7.886 -8.937 1.00 0.00 H new ATOM 0 HB3 ALA A 42 12.972 -6.623 -7.931 1.00 0.00 H new ATOM 628 N GLU A 43 10.332 -5.828 -10.824 1.00 0.00 N ATOM 629 CA GLU A 43 9.052 -5.132 -10.781 1.00 0.00 C ATOM 630 C GLU A 43 8.031 -5.919 -9.963 1.00 0.00 C ATOM 631 O GLU A 43 8.025 -7.149 -9.976 1.00 0.00 O ATOM 632 CB GLU A 43 8.521 -4.907 -12.199 1.00 0.00 C ATOM 633 CG GLU A 43 9.086 -3.667 -12.871 1.00 0.00 C ATOM 634 CD GLU A 43 8.554 -3.473 -14.278 1.00 0.00 C ATOM 635 OE1 GLU A 43 7.396 -3.863 -14.532 1.00 0.00 O ATOM 636 OE2 GLU A 43 9.296 -2.930 -15.123 1.00 0.00 O ATOM 0 H GLU A 43 10.464 -6.419 -11.645 1.00 0.00 H new ATOM 0 HA GLU A 43 9.209 -4.166 -10.301 1.00 0.00 H new ATOM 0 HB2 GLU A 43 8.756 -5.779 -12.809 1.00 0.00 H new ATOM 0 HB3 GLU A 43 7.435 -4.827 -12.163 1.00 0.00 H new ATOM 0 HG2 GLU A 43 8.843 -2.790 -12.271 1.00 0.00 H new ATOM 0 HG3 GLU A 43 10.173 -3.740 -12.904 1.00 0.00 H new ATOM 643 N VAL A 44 7.171 -5.198 -9.251 1.00 0.00 N ATOM 644 CA VAL A 44 6.145 -5.827 -8.427 1.00 0.00 C ATOM 645 C VAL A 44 4.750 -5.384 -8.852 1.00 0.00 C ATOM 646 O VAL A 44 4.594 -4.404 -9.582 1.00 0.00 O ATOM 647 CB VAL A 44 6.345 -5.498 -6.935 1.00 0.00 C ATOM 648 CG1 VAL A 44 7.730 -5.925 -6.475 1.00 0.00 C ATOM 649 CG2 VAL A 44 6.124 -4.015 -6.683 1.00 0.00 C ATOM 0 H VAL A 44 7.164 -4.178 -9.228 1.00 0.00 H new ATOM 0 HA VAL A 44 6.239 -6.903 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 44 5.609 -6.055 -6.356 1.00 0.00 H new ATOM 0 HG11 VAL A 44 7.853 -5.685 -5.419 1.00 0.00 H new ATOM 0 HG12 VAL A 44 7.846 -6.999 -6.619 1.00 0.00 H new ATOM 0 HG13 VAL A 44 8.485 -5.398 -7.057 1.00 0.00 H new ATOM 0 HG21 VAL A 44 6.269 -3.800 -5.624 1.00 0.00 H new ATOM 0 HG22 VAL A 44 6.836 -3.436 -7.272 1.00 0.00 H new ATOM 0 HG23 VAL A 44 5.109 -3.744 -6.972 1.00 0.00 H new ATOM 659 N ARG A 45 3.738 -6.111 -8.390 1.00 0.00 N ATOM 660 CA ARG A 45 2.355 -5.793 -8.723 1.00 0.00 C ATOM 661 C ARG A 45 1.447 -5.978 -7.511 1.00 0.00 C ATOM 662 O ARG A 45 1.332 -7.079 -6.972 1.00 0.00 O ATOM 663 CB ARG A 45 1.870 -6.673 -9.876 1.00 0.00 C ATOM 664 CG ARG A 45 0.367 -6.614 -10.098 1.00 0.00 C ATOM 665 CD ARG A 45 0.009 -6.856 -11.556 1.00 0.00 C ATOM 666 NE ARG A 45 0.409 -8.188 -12.003 1.00 0.00 N ATOM 667 CZ ARG A 45 0.637 -8.498 -13.275 1.00 0.00 C ATOM 668 NH1 ARG A 45 0.507 -7.577 -14.219 1.00 0.00 N ATOM 669 NH2 ARG A 45 0.998 -9.732 -13.603 1.00 0.00 N ATOM 0 H ARG A 45 3.850 -6.924 -7.784 1.00 0.00 H new ATOM 0 HA ARG A 45 2.313 -4.748 -9.030 1.00 0.00 H new ATOM 0 HB2 ARG A 45 2.376 -6.368 -10.792 1.00 0.00 H new ATOM 0 HB3 ARG A 45 2.159 -7.705 -9.680 1.00 0.00 H new ATOM 0 HG2 ARG A 45 -0.124 -7.360 -9.473 1.00 0.00 H new ATOM 0 HG3 ARG A 45 -0.010 -5.640 -9.787 1.00 0.00 H new ATOM 0 HD2 ARG A 45 -1.066 -6.736 -11.690 1.00 0.00 H new ATOM 0 HD3 ARG A 45 0.494 -6.104 -12.178 1.00 0.00 H new ATOM 0 HE ARG A 45 0.519 -8.920 -11.301 1.00 0.00 H new ATOM 0 HH11 ARG A 45 0.231 -6.627 -13.970 1.00 0.00 H new ATOM 0 HH12 ARG A 45 0.683 -7.818 -15.194 1.00 0.00 H new ATOM 0 HH21 ARG A 45 1.101 -10.443 -12.879 1.00 0.00 H new ATOM 0 HH22 ARG A 45 1.173 -9.970 -14.579 1.00 0.00 H new ATOM 683 N TRP A 46 0.806 -4.895 -7.087 1.00 0.00 N ATOM 684 CA TRP A 46 -0.091 -4.939 -5.937 1.00 0.00 C ATOM 685 C TRP A 46 -1.516 -5.268 -6.371 1.00 0.00 C ATOM 686 O TRP A 46 -2.041 -4.676 -7.314 1.00 0.00 O ATOM 687 CB TRP A 46 -0.066 -3.603 -5.194 1.00 0.00 C ATOM 688 CG TRP A 46 1.302 -3.208 -4.726 1.00 0.00 C ATOM 689 CD1 TRP A 46 2.304 -2.673 -5.484 1.00 0.00 C ATOM 690 CD2 TRP A 46 1.818 -3.321 -3.395 1.00 0.00 C ATOM 691 NE1 TRP A 46 3.412 -2.445 -4.704 1.00 0.00 N ATOM 692 CE2 TRP A 46 3.139 -2.834 -3.419 1.00 0.00 C ATOM 693 CE3 TRP A 46 1.292 -3.783 -2.186 1.00 0.00 C ATOM 694 CZ2 TRP A 46 3.939 -2.798 -2.280 1.00 0.00 C ATOM 695 CZ3 TRP A 46 2.087 -3.748 -1.057 1.00 0.00 C ATOM 696 CH2 TRP A 46 3.399 -3.258 -1.109 1.00 0.00 C ATOM 0 H TRP A 46 0.890 -3.976 -7.522 1.00 0.00 H new ATOM 0 HA TRP A 46 0.255 -5.726 -5.267 1.00 0.00 H new ATOM 0 HB2 TRP A 46 -0.457 -2.824 -5.849 1.00 0.00 H new ATOM 0 HB3 TRP A 46 -0.733 -3.661 -4.334 1.00 0.00 H new ATOM 0 HD1 TRP A 46 2.236 -2.460 -6.541 1.00 0.00 H new ATOM 0 HE1 TRP A 46 4.295 -2.050 -5.029 1.00 0.00 H new ATOM 0 HE3 TRP A 46 0.282 -4.161 -2.135 1.00 0.00 H new ATOM 0 HZ2 TRP A 46 4.950 -2.420 -2.319 1.00 0.00 H new ATOM 0 HZ3 TRP A 46 1.691 -4.104 -0.118 1.00 0.00 H new ATOM 0 HH2 TRP A 46 3.995 -3.243 -0.209 1.00 0.00 H new ATOM 707 N THR A 47 -2.137 -6.215 -5.675 1.00 0.00 N ATOM 708 CA THR A 47 -3.501 -6.623 -5.989 1.00 0.00 C ATOM 709 C THR A 47 -4.398 -6.533 -4.760 1.00 0.00 C ATOM 710 O THR A 47 -4.047 -7.020 -3.685 1.00 0.00 O ATOM 711 CB THR A 47 -3.545 -8.061 -6.539 1.00 0.00 C ATOM 712 OG1 THR A 47 -2.971 -8.966 -5.590 1.00 0.00 O ATOM 713 CG2 THR A 47 -2.794 -8.158 -7.859 1.00 0.00 C ATOM 0 H THR A 47 -1.717 -6.714 -4.890 1.00 0.00 H new ATOM 0 HA THR A 47 -3.868 -5.938 -6.754 1.00 0.00 H new ATOM 0 HB THR A 47 -4.587 -8.329 -6.711 1.00 0.00 H new ATOM 0 HG1 THR A 47 -3.017 -8.573 -4.694 1.00 0.00 H new ATOM 0 HG21 THR A 47 -2.838 -9.183 -8.228 1.00 0.00 H new ATOM 0 HG22 THR A 47 -3.252 -7.489 -8.588 1.00 0.00 H new ATOM 0 HG23 THR A 47 -1.753 -7.872 -7.707 1.00 0.00 H new ATOM 721 N LYS A 48 -5.559 -5.909 -4.925 1.00 0.00 N ATOM 722 CA LYS A 48 -6.509 -5.757 -3.829 1.00 0.00 C ATOM 723 C LYS A 48 -7.659 -6.750 -3.965 1.00 0.00 C ATOM 724 O LYS A 48 -8.650 -6.477 -4.642 1.00 0.00 O ATOM 725 CB LYS A 48 -7.056 -4.328 -3.796 1.00 0.00 C ATOM 726 CG LYS A 48 -7.482 -3.872 -2.411 1.00 0.00 C ATOM 727 CD LYS A 48 -7.581 -2.358 -2.328 1.00 0.00 C ATOM 728 CE LYS A 48 -8.553 -1.921 -1.243 1.00 0.00 C ATOM 729 NZ LYS A 48 -9.970 -2.134 -1.650 1.00 0.00 N ATOM 0 H LYS A 48 -5.865 -5.500 -5.808 1.00 0.00 H new ATOM 0 HA LYS A 48 -5.985 -5.961 -2.895 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -6.294 -3.647 -4.175 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -7.909 -4.259 -4.471 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -8.446 -4.315 -2.162 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -6.766 -4.232 -1.672 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -6.596 -1.939 -2.125 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -7.905 -1.960 -3.290 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -8.350 -2.478 -0.328 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -8.395 -0.867 -1.017 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -10.519 -2.471 -0.833 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.372 -1.237 -1.991 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.010 -2.842 -2.410 1.00 0.00 H new ATOM 743 N ASP A 49 -7.521 -7.900 -3.315 1.00 0.00 N ATOM 744 CA ASP A 49 -8.550 -8.933 -3.361 1.00 0.00 C ATOM 745 C ASP A 49 -8.535 -9.655 -4.705 1.00 0.00 C ATOM 746 O ASP A 49 -9.546 -10.209 -5.135 1.00 0.00 O ATOM 747 CB ASP A 49 -9.929 -8.320 -3.113 1.00 0.00 C ATOM 748 CG ASP A 49 -9.919 -7.311 -1.982 1.00 0.00 C ATOM 749 OD1 ASP A 49 -9.679 -6.116 -2.255 1.00 0.00 O ATOM 750 OD2 ASP A 49 -10.150 -7.716 -0.823 1.00 0.00 O ATOM 0 H ASP A 49 -6.707 -8.141 -2.750 1.00 0.00 H new ATOM 0 HA ASP A 49 -8.337 -9.659 -2.576 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -10.277 -7.836 -4.025 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -10.640 -9.113 -2.882 1.00 0.00 H new ATOM 755 N GLY A 50 -7.380 -9.645 -5.364 1.00 0.00 N ATOM 756 CA GLY A 50 -7.255 -10.301 -6.652 1.00 0.00 C ATOM 757 C GLY A 50 -7.118 -9.315 -7.795 1.00 0.00 C ATOM 758 O GLY A 50 -6.431 -9.587 -8.779 1.00 0.00 O ATOM 0 H GLY A 50 -6.529 -9.194 -5.028 1.00 0.00 H new ATOM 0 HA2 GLY A 50 -6.386 -10.959 -6.638 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -8.129 -10.930 -6.822 1.00 0.00 H new ATOM 762 N GLU A 51 -7.775 -8.166 -7.665 1.00 0.00 N ATOM 763 CA GLU A 51 -7.725 -7.137 -8.697 1.00 0.00 C ATOM 764 C GLU A 51 -6.426 -6.341 -8.609 1.00 0.00 C ATOM 765 O GLU A 51 -5.935 -6.055 -7.517 1.00 0.00 O ATOM 766 CB GLU A 51 -8.923 -6.195 -8.568 1.00 0.00 C ATOM 767 CG GLU A 51 -8.707 -5.068 -7.572 1.00 0.00 C ATOM 768 CD GLU A 51 -9.797 -4.016 -7.636 1.00 0.00 C ATOM 769 OE1 GLU A 51 -10.267 -3.717 -8.753 1.00 0.00 O ATOM 770 OE2 GLU A 51 -10.179 -3.492 -6.569 1.00 0.00 O ATOM 0 H GLU A 51 -8.347 -7.925 -6.856 1.00 0.00 H new ATOM 0 HA GLU A 51 -7.763 -7.631 -9.668 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -9.145 -5.767 -9.546 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -9.797 -6.772 -8.267 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -8.665 -5.482 -6.564 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -7.742 -4.598 -7.764 1.00 0.00 H new ATOM 777 N GLU A 52 -5.875 -5.988 -9.766 1.00 0.00 N ATOM 778 CA GLU A 52 -4.633 -5.227 -9.819 1.00 0.00 C ATOM 779 C GLU A 52 -4.892 -3.745 -9.563 1.00 0.00 C ATOM 780 O GLU A 52 -5.661 -3.105 -10.280 1.00 0.00 O ATOM 781 CB GLU A 52 -3.954 -5.410 -11.179 1.00 0.00 C ATOM 782 CG GLU A 52 -2.767 -4.487 -11.396 1.00 0.00 C ATOM 783 CD GLU A 52 -2.536 -4.168 -12.860 1.00 0.00 C ATOM 784 OE1 GLU A 52 -2.858 -5.023 -13.711 1.00 0.00 O ATOM 785 OE2 GLU A 52 -2.032 -3.064 -13.154 1.00 0.00 O ATOM 0 H GLU A 52 -6.269 -6.217 -10.679 1.00 0.00 H new ATOM 0 HA GLU A 52 -3.973 -5.603 -9.038 1.00 0.00 H new ATOM 0 HB2 GLU A 52 -3.622 -6.444 -11.273 1.00 0.00 H new ATOM 0 HB3 GLU A 52 -4.687 -5.237 -11.967 1.00 0.00 H new ATOM 0 HG2 GLU A 52 -2.928 -3.559 -10.847 1.00 0.00 H new ATOM 0 HG3 GLU A 52 -1.871 -4.950 -10.983 1.00 0.00 H new ATOM 792 N VAL A 53 -4.244 -3.206 -8.535 1.00 0.00 N ATOM 793 CA VAL A 53 -4.402 -1.800 -8.184 1.00 0.00 C ATOM 794 C VAL A 53 -3.898 -0.894 -9.302 1.00 0.00 C ATOM 795 O VAL A 53 -2.831 -1.127 -9.871 1.00 0.00 O ATOM 796 CB VAL A 53 -3.652 -1.458 -6.883 1.00 0.00 C ATOM 797 CG1 VAL A 53 -4.057 -2.410 -5.767 1.00 0.00 C ATOM 798 CG2 VAL A 53 -2.148 -1.498 -7.110 1.00 0.00 C ATOM 0 H VAL A 53 -3.605 -3.722 -7.931 1.00 0.00 H new ATOM 0 HA VAL A 53 -5.468 -1.629 -8.035 1.00 0.00 H new ATOM 0 HB VAL A 53 -3.924 -0.447 -6.581 1.00 0.00 H new ATOM 0 HG11 VAL A 53 -3.517 -2.153 -4.856 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -5.129 -2.327 -5.589 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -3.815 -3.433 -6.056 1.00 0.00 H new ATOM 0 HG21 VAL A 53 -1.633 -1.254 -6.181 1.00 0.00 H new ATOM 0 HG22 VAL A 53 -1.856 -2.496 -7.435 1.00 0.00 H new ATOM 0 HG23 VAL A 53 -1.876 -0.772 -7.877 1.00 0.00 H new ATOM 808 N VAL A 54 -4.672 0.141 -9.611 1.00 0.00 N ATOM 809 CA VAL A 54 -4.304 1.085 -10.660 1.00 0.00 C ATOM 810 C VAL A 54 -3.999 2.461 -10.079 1.00 0.00 C ATOM 811 O VAL A 54 -4.673 2.919 -9.158 1.00 0.00 O ATOM 812 CB VAL A 54 -5.421 1.220 -11.712 1.00 0.00 C ATOM 813 CG1 VAL A 54 -6.716 1.677 -11.059 1.00 0.00 C ATOM 814 CG2 VAL A 54 -5.002 2.181 -12.814 1.00 0.00 C ATOM 0 H VAL A 54 -5.558 0.347 -9.150 1.00 0.00 H new ATOM 0 HA VAL A 54 -3.409 0.690 -11.141 1.00 0.00 H new ATOM 0 HB VAL A 54 -5.594 0.242 -12.161 1.00 0.00 H new ATOM 0 HG11 VAL A 54 -7.494 1.767 -11.817 1.00 0.00 H new ATOM 0 HG12 VAL A 54 -7.023 0.948 -10.309 1.00 0.00 H new ATOM 0 HG13 VAL A 54 -6.561 2.645 -10.582 1.00 0.00 H new ATOM 0 HG21 VAL A 54 -5.803 2.264 -13.548 1.00 0.00 H new ATOM 0 HG22 VAL A 54 -4.801 3.162 -12.384 1.00 0.00 H new ATOM 0 HG23 VAL A 54 -4.101 1.806 -13.300 1.00 0.00 H new ATOM 824 N GLU A 55 -2.978 3.115 -10.625 1.00 0.00 N ATOM 825 CA GLU A 55 -2.584 4.439 -10.160 1.00 0.00 C ATOM 826 C GLU A 55 -3.784 5.380 -10.114 1.00 0.00 C ATOM 827 O GLU A 55 -4.710 5.261 -10.917 1.00 0.00 O ATOM 828 CB GLU A 55 -1.500 5.022 -11.070 1.00 0.00 C ATOM 829 CG GLU A 55 -0.089 4.630 -10.664 1.00 0.00 C ATOM 830 CD GLU A 55 0.858 4.555 -11.846 1.00 0.00 C ATOM 831 OE1 GLU A 55 0.632 5.285 -12.834 1.00 0.00 O ATOM 832 OE2 GLU A 55 1.825 3.768 -11.783 1.00 0.00 O ATOM 0 H GLU A 55 -2.410 2.749 -11.389 1.00 0.00 H new ATOM 0 HA GLU A 55 -2.186 4.337 -9.151 1.00 0.00 H new ATOM 0 HB2 GLU A 55 -1.680 4.691 -12.093 1.00 0.00 H new ATOM 0 HB3 GLU A 55 -1.581 6.109 -11.067 1.00 0.00 H new ATOM 0 HG2 GLU A 55 0.292 5.353 -9.943 1.00 0.00 H new ATOM 0 HG3 GLU A 55 -0.115 3.663 -10.162 1.00 0.00 H new ATOM 839 N SER A 56 -3.761 6.314 -9.169 1.00 0.00 N ATOM 840 CA SER A 56 -4.849 7.272 -9.015 1.00 0.00 C ATOM 841 C SER A 56 -4.480 8.356 -8.006 1.00 0.00 C ATOM 842 O SER A 56 -3.499 8.246 -7.270 1.00 0.00 O ATOM 843 CB SER A 56 -6.127 6.558 -8.568 1.00 0.00 C ATOM 844 OG SER A 56 -5.830 5.304 -7.980 1.00 0.00 O ATOM 0 H SER A 56 -3.001 6.428 -8.498 1.00 0.00 H new ATOM 0 HA SER A 56 -5.024 7.744 -9.982 1.00 0.00 H new ATOM 0 HB2 SER A 56 -6.664 7.181 -7.853 1.00 0.00 H new ATOM 0 HB3 SER A 56 -6.786 6.415 -9.424 1.00 0.00 H new ATOM 0 HG SER A 56 -6.662 4.868 -7.701 1.00 0.00 H new ATOM 850 N PRO A 57 -5.284 9.429 -7.971 1.00 0.00 N ATOM 851 CA PRO A 57 -5.063 10.554 -7.058 1.00 0.00 C ATOM 852 C PRO A 57 -5.333 10.182 -5.604 1.00 0.00 C ATOM 853 O PRO A 57 -5.276 11.031 -4.715 1.00 0.00 O ATOM 854 CB PRO A 57 -6.069 11.603 -7.537 1.00 0.00 C ATOM 855 CG PRO A 57 -7.147 10.818 -8.201 1.00 0.00 C ATOM 856 CD PRO A 57 -6.471 9.627 -8.820 1.00 0.00 C ATOM 0 HA PRO A 57 -4.028 10.896 -7.076 1.00 0.00 H new ATOM 0 HB2 PRO A 57 -6.460 12.186 -6.703 1.00 0.00 H new ATOM 0 HB3 PRO A 57 -5.608 12.307 -8.230 1.00 0.00 H new ATOM 0 HG2 PRO A 57 -7.903 10.507 -7.480 1.00 0.00 H new ATOM 0 HG3 PRO A 57 -7.655 11.415 -8.958 1.00 0.00 H new ATOM 0 HD2 PRO A 57 -7.119 8.750 -8.816 1.00 0.00 H new ATOM 0 HD3 PRO A 57 -6.196 9.815 -9.858 1.00 0.00 H new ATOM 864 N ALA A 58 -5.628 8.907 -5.369 1.00 0.00 N ATOM 865 CA ALA A 58 -5.904 8.423 -4.022 1.00 0.00 C ATOM 866 C ALA A 58 -4.952 7.295 -3.638 1.00 0.00 C ATOM 867 O ALA A 58 -4.949 6.833 -2.496 1.00 0.00 O ATOM 868 CB ALA A 58 -7.349 7.956 -3.916 1.00 0.00 C ATOM 0 H ALA A 58 -5.682 8.191 -6.094 1.00 0.00 H new ATOM 0 HA ALA A 58 -5.747 9.247 -3.326 1.00 0.00 H new ATOM 0 HB1 ALA A 58 -7.542 7.597 -2.905 1.00 0.00 H new ATOM 0 HB2 ALA A 58 -8.017 8.787 -4.140 1.00 0.00 H new ATOM 0 HB3 ALA A 58 -7.524 7.149 -4.627 1.00 0.00 H new ATOM 874 N LEU A 59 -4.146 6.855 -4.598 1.00 0.00 N ATOM 875 CA LEU A 59 -3.190 5.780 -4.361 1.00 0.00 C ATOM 876 C LEU A 59 -1.881 6.042 -5.099 1.00 0.00 C ATOM 877 O LEU A 59 -1.801 5.884 -6.318 1.00 0.00 O ATOM 878 CB LEU A 59 -3.778 4.439 -4.804 1.00 0.00 C ATOM 879 CG LEU A 59 -2.846 3.231 -4.707 1.00 0.00 C ATOM 880 CD1 LEU A 59 -3.634 1.973 -4.377 1.00 0.00 C ATOM 881 CD2 LEU A 59 -2.069 3.052 -6.003 1.00 0.00 C ATOM 0 H LEU A 59 -4.136 7.226 -5.548 1.00 0.00 H new ATOM 0 HA LEU A 59 -2.982 5.743 -3.292 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -4.664 4.238 -4.202 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -4.109 4.535 -5.838 1.00 0.00 H new ATOM 0 HG LEU A 59 -2.134 3.410 -3.901 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -2.954 1.124 -4.312 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -4.144 2.103 -3.422 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -4.370 1.789 -5.160 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -1.411 2.188 -5.916 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -2.766 2.896 -6.826 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -1.473 3.944 -6.196 1.00 0.00 H new ATOM 893 N LEU A 60 -0.857 6.442 -4.353 1.00 0.00 N ATOM 894 CA LEU A 60 0.450 6.725 -4.937 1.00 0.00 C ATOM 895 C LEU A 60 1.386 5.531 -4.779 1.00 0.00 C ATOM 896 O LEU A 60 1.567 5.012 -3.676 1.00 0.00 O ATOM 897 CB LEU A 60 1.067 7.962 -4.281 1.00 0.00 C ATOM 898 CG LEU A 60 0.221 9.235 -4.322 1.00 0.00 C ATOM 899 CD1 LEU A 60 0.899 10.351 -3.543 1.00 0.00 C ATOM 900 CD2 LEU A 60 -0.030 9.662 -5.761 1.00 0.00 C ATOM 0 H LEU A 60 -0.906 6.578 -3.343 1.00 0.00 H new ATOM 0 HA LEU A 60 0.312 6.917 -6.001 1.00 0.00 H new ATOM 0 HB2 LEU A 60 1.283 7.727 -3.239 1.00 0.00 H new ATOM 0 HB3 LEU A 60 2.021 8.168 -4.766 1.00 0.00 H new ATOM 0 HG LEU A 60 -0.741 9.025 -3.854 1.00 0.00 H new ATOM 0 HD11 LEU A 60 0.283 11.249 -3.583 1.00 0.00 H new ATOM 0 HD12 LEU A 60 1.027 10.045 -2.505 1.00 0.00 H new ATOM 0 HD13 LEU A 60 1.874 10.560 -3.982 1.00 0.00 H new ATOM 0 HD21 LEU A 60 -0.634 10.570 -5.771 1.00 0.00 H new ATOM 0 HD22 LEU A 60 0.922 9.854 -6.255 1.00 0.00 H new ATOM 0 HD23 LEU A 60 -0.559 8.869 -6.289 1.00 0.00 H new ATOM 912 N LEU A 61 1.981 5.101 -5.886 1.00 0.00 N ATOM 913 CA LEU A 61 2.901 3.970 -5.871 1.00 0.00 C ATOM 914 C LEU A 61 4.350 4.446 -5.871 1.00 0.00 C ATOM 915 O LEU A 61 4.836 4.982 -6.866 1.00 0.00 O ATOM 916 CB LEU A 61 2.650 3.066 -7.079 1.00 0.00 C ATOM 917 CG LEU A 61 1.246 2.471 -7.191 1.00 0.00 C ATOM 918 CD1 LEU A 61 1.151 1.550 -8.397 1.00 0.00 C ATOM 919 CD2 LEU A 61 0.880 1.723 -5.917 1.00 0.00 C ATOM 0 H LEU A 61 1.842 5.519 -6.806 1.00 0.00 H new ATOM 0 HA LEU A 61 2.724 3.403 -4.957 1.00 0.00 H new ATOM 0 HB2 LEU A 61 2.854 3.638 -7.984 1.00 0.00 H new ATOM 0 HB3 LEU A 61 3.369 2.247 -7.051 1.00 0.00 H new ATOM 0 HG LEU A 61 0.537 3.287 -7.326 1.00 0.00 H new ATOM 0 HD11 LEU A 61 0.145 1.136 -8.460 1.00 0.00 H new ATOM 0 HD12 LEU A 61 1.369 2.114 -9.304 1.00 0.00 H new ATOM 0 HD13 LEU A 61 1.871 0.739 -8.293 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -0.122 1.306 -6.015 1.00 0.00 H new ATOM 0 HD22 LEU A 61 1.594 0.916 -5.751 1.00 0.00 H new ATOM 0 HD23 LEU A 61 0.906 2.410 -5.071 1.00 0.00 H new ATOM 931 N GLN A 62 5.034 4.245 -4.749 1.00 0.00 N ATOM 932 CA GLN A 62 6.428 4.653 -4.621 1.00 0.00 C ATOM 933 C GLN A 62 7.366 3.516 -5.012 1.00 0.00 C ATOM 934 O GLN A 62 7.053 2.342 -4.812 1.00 0.00 O ATOM 935 CB GLN A 62 6.721 5.103 -3.189 1.00 0.00 C ATOM 936 CG GLN A 62 5.893 6.298 -2.745 1.00 0.00 C ATOM 937 CD GLN A 62 5.716 7.326 -3.846 1.00 0.00 C ATOM 938 OE1 GLN A 62 6.691 7.841 -4.393 1.00 0.00 O ATOM 939 NE2 GLN A 62 4.466 7.630 -4.177 1.00 0.00 N ATOM 0 H GLN A 62 4.646 3.802 -3.916 1.00 0.00 H new ATOM 0 HA GLN A 62 6.599 5.490 -5.299 1.00 0.00 H new ATOM 0 HB2 GLN A 62 6.535 4.271 -2.510 1.00 0.00 H new ATOM 0 HB3 GLN A 62 7.779 5.353 -3.105 1.00 0.00 H new ATOM 0 HG2 GLN A 62 4.913 5.954 -2.414 1.00 0.00 H new ATOM 0 HG3 GLN A 62 6.372 6.769 -1.887 1.00 0.00 H new ATOM 0 HE21 GLN A 62 3.687 7.179 -3.697 1.00 0.00 H new ATOM 0 HE22 GLN A 62 4.285 8.315 -4.911 1.00 0.00 H new ATOM 948 N LYS A 63 8.518 3.871 -5.570 1.00 0.00 N ATOM 949 CA LYS A 63 9.504 2.882 -5.988 1.00 0.00 C ATOM 950 C LYS A 63 10.918 3.345 -5.651 1.00 0.00 C ATOM 951 O LYS A 63 11.394 4.348 -6.181 1.00 0.00 O ATOM 952 CB LYS A 63 9.387 2.619 -7.491 1.00 0.00 C ATOM 953 CG LYS A 63 7.964 2.359 -7.954 1.00 0.00 C ATOM 954 CD LYS A 63 7.800 2.642 -9.438 1.00 0.00 C ATOM 955 CE LYS A 63 6.403 2.286 -9.923 1.00 0.00 C ATOM 956 NZ LYS A 63 6.370 2.045 -11.392 1.00 0.00 N ATOM 0 H LYS A 63 8.792 4.838 -5.743 1.00 0.00 H new ATOM 0 HA LYS A 63 9.305 1.957 -5.446 1.00 0.00 H new ATOM 0 HB2 LYS A 63 9.786 3.476 -8.033 1.00 0.00 H new ATOM 0 HB3 LYS A 63 10.007 1.761 -7.751 1.00 0.00 H new ATOM 0 HG2 LYS A 63 7.697 1.322 -7.749 1.00 0.00 H new ATOM 0 HG3 LYS A 63 7.275 2.984 -7.385 1.00 0.00 H new ATOM 0 HD2 LYS A 63 7.996 3.697 -9.632 1.00 0.00 H new ATOM 0 HD3 LYS A 63 8.538 2.072 -10.002 1.00 0.00 H new ATOM 0 HE2 LYS A 63 6.054 1.395 -9.401 1.00 0.00 H new ATOM 0 HE3 LYS A 63 5.715 3.093 -9.672 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 5.401 1.805 -11.683 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 6.679 2.903 -11.892 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 7.007 1.258 -11.629 1.00 0.00 H new ATOM 970 N GLU A 64 11.583 2.607 -4.768 1.00 0.00 N ATOM 971 CA GLU A 64 12.942 2.943 -4.362 1.00 0.00 C ATOM 972 C GLU A 64 13.965 2.207 -5.222 1.00 0.00 C ATOM 973 O GLU A 64 13.607 1.514 -6.174 1.00 0.00 O ATOM 974 CB GLU A 64 13.157 2.599 -2.887 1.00 0.00 C ATOM 975 CG GLU A 64 14.103 3.549 -2.171 1.00 0.00 C ATOM 976 CD GLU A 64 13.792 3.678 -0.693 1.00 0.00 C ATOM 977 OE1 GLU A 64 12.595 3.700 -0.337 1.00 0.00 O ATOM 978 OE2 GLU A 64 14.746 3.757 0.109 1.00 0.00 O ATOM 0 H GLU A 64 11.203 1.773 -4.320 1.00 0.00 H new ATOM 0 HA GLU A 64 13.081 4.015 -4.501 1.00 0.00 H new ATOM 0 HB2 GLU A 64 12.194 2.606 -2.377 1.00 0.00 H new ATOM 0 HB3 GLU A 64 13.549 1.585 -2.813 1.00 0.00 H new ATOM 0 HG2 GLU A 64 15.127 3.197 -2.294 1.00 0.00 H new ATOM 0 HG3 GLU A 64 14.046 4.532 -2.638 1.00 0.00 H new ATOM 985 N ASP A 65 15.239 2.364 -4.880 1.00 0.00 N ATOM 986 CA ASP A 65 16.315 1.714 -5.620 1.00 0.00 C ATOM 987 C ASP A 65 16.036 0.224 -5.788 1.00 0.00 C ATOM 988 O ASP A 65 15.819 -0.257 -6.901 1.00 0.00 O ATOM 989 CB ASP A 65 17.651 1.918 -4.903 1.00 0.00 C ATOM 990 CG ASP A 65 18.332 3.211 -5.305 1.00 0.00 C ATOM 991 OD1 ASP A 65 18.873 3.271 -6.429 1.00 0.00 O ATOM 992 OD2 ASP A 65 18.326 4.162 -4.496 1.00 0.00 O ATOM 0 H ASP A 65 15.552 2.936 -4.095 1.00 0.00 H new ATOM 0 HA ASP A 65 16.369 2.169 -6.609 1.00 0.00 H new ATOM 0 HB2 ASP A 65 17.486 1.918 -3.826 1.00 0.00 H new ATOM 0 HB3 ASP A 65 18.311 1.079 -5.125 1.00 0.00 H new ATOM 997 N THR A 66 16.043 -0.504 -4.676 1.00 0.00 N ATOM 998 CA THR A 66 15.793 -1.940 -4.700 1.00 0.00 C ATOM 999 C THR A 66 14.567 -2.298 -3.869 1.00 0.00 C ATOM 1000 O THR A 66 14.186 -3.465 -3.778 1.00 0.00 O ATOM 1001 CB THR A 66 17.006 -2.730 -4.174 1.00 0.00 C ATOM 1002 OG1 THR A 66 17.601 -2.037 -3.071 1.00 0.00 O ATOM 1003 CG2 THR A 66 18.039 -2.930 -5.272 1.00 0.00 C ATOM 0 H THR A 66 16.219 -0.122 -3.747 1.00 0.00 H new ATOM 0 HA THR A 66 15.615 -2.213 -5.740 1.00 0.00 H new ATOM 0 HB THR A 66 16.659 -3.708 -3.842 1.00 0.00 H new ATOM 0 HG1 THR A 66 18.370 -2.547 -2.741 1.00 0.00 H new ATOM 0 HG21 THR A 66 18.886 -3.490 -4.877 1.00 0.00 H new ATOM 0 HG22 THR A 66 17.591 -3.484 -6.097 1.00 0.00 H new ATOM 0 HG23 THR A 66 18.381 -1.959 -5.631 1.00 0.00 H new ATOM 1011 N VAL A 67 13.952 -1.287 -3.263 1.00 0.00 N ATOM 1012 CA VAL A 67 12.766 -1.496 -2.440 1.00 0.00 C ATOM 1013 C VAL A 67 11.598 -0.652 -2.935 1.00 0.00 C ATOM 1014 O VAL A 67 11.786 0.465 -3.417 1.00 0.00 O ATOM 1015 CB VAL A 67 13.042 -1.156 -0.963 1.00 0.00 C ATOM 1016 CG1 VAL A 67 13.742 0.189 -0.846 1.00 0.00 C ATOM 1017 CG2 VAL A 67 11.747 -1.164 -0.165 1.00 0.00 C ATOM 0 H VAL A 67 14.255 -0.315 -3.326 1.00 0.00 H new ATOM 0 HA VAL A 67 12.506 -2.552 -2.520 1.00 0.00 H new ATOM 0 HB VAL A 67 13.702 -1.918 -0.549 1.00 0.00 H new ATOM 0 HG11 VAL A 67 13.929 0.412 0.205 1.00 0.00 H new ATOM 0 HG12 VAL A 67 14.690 0.154 -1.383 1.00 0.00 H new ATOM 0 HG13 VAL A 67 13.110 0.967 -1.275 1.00 0.00 H new ATOM 0 HG21 VAL A 67 11.960 -0.922 0.876 1.00 0.00 H new ATOM 0 HG22 VAL A 67 11.061 -0.424 -0.577 1.00 0.00 H new ATOM 0 HG23 VAL A 67 11.291 -2.152 -0.222 1.00 0.00 H new ATOM 1027 N ARG A 68 10.390 -1.193 -2.813 1.00 0.00 N ATOM 1028 CA ARG A 68 9.190 -0.490 -3.249 1.00 0.00 C ATOM 1029 C ARG A 68 8.316 -0.114 -2.055 1.00 0.00 C ATOM 1030 O ARG A 68 8.390 -0.741 -0.998 1.00 0.00 O ATOM 1031 CB ARG A 68 8.392 -1.356 -4.226 1.00 0.00 C ATOM 1032 CG ARG A 68 9.196 -1.810 -5.433 1.00 0.00 C ATOM 1033 CD ARG A 68 9.299 -0.711 -6.479 1.00 0.00 C ATOM 1034 NE ARG A 68 9.769 -1.221 -7.764 1.00 0.00 N ATOM 1035 CZ ARG A 68 11.030 -1.136 -8.172 1.00 0.00 C ATOM 1036 NH1 ARG A 68 11.943 -0.564 -7.400 1.00 0.00 N ATOM 1037 NH2 ARG A 68 11.380 -1.624 -9.356 1.00 0.00 N ATOM 0 H ARG A 68 10.217 -2.116 -2.416 1.00 0.00 H new ATOM 0 HA ARG A 68 9.499 0.425 -3.754 1.00 0.00 H new ATOM 0 HB2 ARG A 68 8.018 -2.233 -3.699 1.00 0.00 H new ATOM 0 HB3 ARG A 68 7.523 -0.795 -4.569 1.00 0.00 H new ATOM 0 HG2 ARG A 68 10.196 -2.106 -5.115 1.00 0.00 H new ATOM 0 HG3 ARG A 68 8.728 -2.690 -5.873 1.00 0.00 H new ATOM 0 HD2 ARG A 68 8.324 -0.242 -6.610 1.00 0.00 H new ATOM 0 HD3 ARG A 68 9.980 0.063 -6.125 1.00 0.00 H new ATOM 0 HE ARG A 68 9.091 -1.667 -8.382 1.00 0.00 H new ATOM 0 HH11 ARG A 68 11.678 -0.188 -6.490 1.00 0.00 H new ATOM 0 HH12 ARG A 68 12.911 -0.500 -7.716 1.00 0.00 H new ATOM 0 HH21 ARG A 68 10.680 -2.065 -9.953 1.00 0.00 H new ATOM 0 HH22 ARG A 68 12.349 -1.558 -9.669 1.00 0.00 H new ATOM 1051 N ARG A 69 7.491 0.912 -2.232 1.00 0.00 N ATOM 1052 CA ARG A 69 6.605 1.373 -1.170 1.00 0.00 C ATOM 1053 C ARG A 69 5.303 1.919 -1.747 1.00 0.00 C ATOM 1054 O ARG A 69 5.285 2.490 -2.838 1.00 0.00 O ATOM 1055 CB ARG A 69 7.296 2.450 -0.332 1.00 0.00 C ATOM 1056 CG ARG A 69 8.411 1.913 0.550 1.00 0.00 C ATOM 1057 CD ARG A 69 8.678 2.832 1.732 1.00 0.00 C ATOM 1058 NE ARG A 69 9.672 3.855 1.417 1.00 0.00 N ATOM 1059 CZ ARG A 69 9.981 4.856 2.234 1.00 0.00 C ATOM 1060 NH1 ARG A 69 9.376 4.968 3.408 1.00 0.00 N ATOM 1061 NH2 ARG A 69 10.897 5.747 1.876 1.00 0.00 N ATOM 0 H ARG A 69 7.417 1.440 -3.101 1.00 0.00 H new ATOM 0 HA ARG A 69 6.370 0.521 -0.532 1.00 0.00 H new ATOM 0 HB2 ARG A 69 7.705 3.210 -0.998 1.00 0.00 H new ATOM 0 HB3 ARG A 69 6.553 2.943 0.295 1.00 0.00 H new ATOM 0 HG2 ARG A 69 8.144 0.920 0.913 1.00 0.00 H new ATOM 0 HG3 ARG A 69 9.321 1.802 -0.039 1.00 0.00 H new ATOM 0 HD2 ARG A 69 7.748 3.312 2.035 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.023 2.241 2.580 1.00 0.00 H new ATOM 0 HE ARG A 69 10.155 3.798 0.521 1.00 0.00 H new ATOM 0 HH11 ARG A 69 8.671 4.285 3.686 1.00 0.00 H new ATOM 0 HH12 ARG A 69 9.615 5.737 4.034 1.00 0.00 H new ATOM 0 HH21 ARG A 69 11.364 5.664 0.973 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.134 6.515 2.504 1.00 0.00 H new ATOM 1075 N LEU A 70 4.213 1.741 -1.007 1.00 0.00 N ATOM 1076 CA LEU A 70 2.905 2.215 -1.445 1.00 0.00 C ATOM 1077 C LEU A 70 2.366 3.279 -0.495 1.00 0.00 C ATOM 1078 O LEU A 70 1.940 2.973 0.619 1.00 0.00 O ATOM 1079 CB LEU A 70 1.921 1.048 -1.534 1.00 0.00 C ATOM 1080 CG LEU A 70 0.437 1.415 -1.474 1.00 0.00 C ATOM 1081 CD1 LEU A 70 0.104 2.463 -2.524 1.00 0.00 C ATOM 1082 CD2 LEU A 70 -0.426 0.176 -1.662 1.00 0.00 C ATOM 0 H LEU A 70 4.210 1.272 -0.101 1.00 0.00 H new ATOM 0 HA LEU A 70 3.019 2.661 -2.433 1.00 0.00 H new ATOM 0 HB2 LEU A 70 2.105 0.514 -2.466 1.00 0.00 H new ATOM 0 HB3 LEU A 70 2.136 0.354 -0.721 1.00 0.00 H new ATOM 0 HG LEU A 70 0.225 1.835 -0.491 1.00 0.00 H new ATOM 0 HD11 LEU A 70 -0.956 2.712 -2.467 1.00 0.00 H new ATOM 0 HD12 LEU A 70 0.697 3.359 -2.344 1.00 0.00 H new ATOM 0 HD13 LEU A 70 0.331 2.070 -3.515 1.00 0.00 H new ATOM 0 HD21 LEU A 70 -1.479 0.455 -1.616 1.00 0.00 H new ATOM 0 HD22 LEU A 70 -0.211 -0.273 -2.632 1.00 0.00 H new ATOM 0 HD23 LEU A 70 -0.207 -0.543 -0.873 1.00 0.00 H new ATOM 1094 N VAL A 71 2.386 4.531 -0.943 1.00 0.00 N ATOM 1095 CA VAL A 71 1.895 5.640 -0.134 1.00 0.00 C ATOM 1096 C VAL A 71 0.514 6.089 -0.596 1.00 0.00 C ATOM 1097 O VAL A 71 0.269 6.252 -1.792 1.00 0.00 O ATOM 1098 CB VAL A 71 2.858 6.842 -0.187 1.00 0.00 C ATOM 1099 CG1 VAL A 71 2.270 8.030 0.559 1.00 0.00 C ATOM 1100 CG2 VAL A 71 4.216 6.462 0.383 1.00 0.00 C ATOM 0 H VAL A 71 2.737 4.802 -1.862 1.00 0.00 H new ATOM 0 HA VAL A 71 1.831 5.279 0.892 1.00 0.00 H new ATOM 0 HB VAL A 71 2.995 7.130 -1.229 1.00 0.00 H new ATOM 0 HG11 VAL A 71 2.964 8.869 0.511 1.00 0.00 H new ATOM 0 HG12 VAL A 71 1.323 8.315 0.100 1.00 0.00 H new ATOM 0 HG13 VAL A 71 2.101 7.758 1.601 1.00 0.00 H new ATOM 0 HG21 VAL A 71 4.883 7.323 0.338 1.00 0.00 H new ATOM 0 HG22 VAL A 71 4.100 6.147 1.420 1.00 0.00 H new ATOM 0 HG23 VAL A 71 4.639 5.644 -0.200 1.00 0.00 H new ATOM 1110 N LEU A 72 -0.388 6.287 0.360 1.00 0.00 N ATOM 1111 CA LEU A 72 -1.747 6.717 0.052 1.00 0.00 C ATOM 1112 C LEU A 72 -2.050 8.067 0.696 1.00 0.00 C ATOM 1113 O LEU A 72 -2.220 8.179 1.910 1.00 0.00 O ATOM 1114 CB LEU A 72 -2.756 5.672 0.533 1.00 0.00 C ATOM 1115 CG LEU A 72 -2.807 4.371 -0.268 1.00 0.00 C ATOM 1116 CD1 LEU A 72 -1.592 3.508 0.037 1.00 0.00 C ATOM 1117 CD2 LEU A 72 -4.091 3.611 0.030 1.00 0.00 C ATOM 0 H LEU A 72 -0.202 6.156 1.354 1.00 0.00 H new ATOM 0 HA LEU A 72 -1.831 6.823 -1.030 1.00 0.00 H new ATOM 0 HB2 LEU A 72 -2.529 5.428 1.571 1.00 0.00 H new ATOM 0 HB3 LEU A 72 -3.749 6.122 0.521 1.00 0.00 H new ATOM 0 HG LEU A 72 -2.793 4.620 -1.329 1.00 0.00 H new ATOM 0 HD11 LEU A 72 -1.646 2.586 -0.542 1.00 0.00 H new ATOM 0 HD12 LEU A 72 -0.685 4.051 -0.228 1.00 0.00 H new ATOM 0 HD13 LEU A 72 -1.574 3.268 1.100 1.00 0.00 H new ATOM 0 HD21 LEU A 72 -4.110 2.688 -0.549 1.00 0.00 H new ATOM 0 HD22 LEU A 72 -4.135 3.374 1.093 1.00 0.00 H new ATOM 0 HD23 LEU A 72 -4.949 4.226 -0.240 1.00 0.00 H new ATOM 1129 N PRO A 73 -2.121 9.117 -0.136 1.00 0.00 N ATOM 1130 CA PRO A 73 -2.406 10.477 0.330 1.00 0.00 C ATOM 1131 C PRO A 73 -3.845 10.636 0.811 1.00 0.00 C ATOM 1132 O PRO A 73 -4.182 11.613 1.477 1.00 0.00 O ATOM 1133 CB PRO A 73 -2.160 11.336 -0.913 1.00 0.00 C ATOM 1134 CG PRO A 73 -2.380 10.413 -2.061 1.00 0.00 C ATOM 1135 CD PRO A 73 -1.929 9.057 -1.594 1.00 0.00 C ATOM 0 HA PRO A 73 -1.789 10.753 1.185 1.00 0.00 H new ATOM 0 HB2 PRO A 73 -2.844 12.184 -0.950 1.00 0.00 H new ATOM 0 HB3 PRO A 73 -1.148 11.742 -0.920 1.00 0.00 H new ATOM 0 HG2 PRO A 73 -3.430 10.396 -2.352 1.00 0.00 H new ATOM 0 HG3 PRO A 73 -1.812 10.734 -2.934 1.00 0.00 H new ATOM 0 HD2 PRO A 73 -2.520 8.260 -2.045 1.00 0.00 H new ATOM 0 HD3 PRO A 73 -0.888 8.868 -1.855 1.00 0.00 H new ATOM 1143 N ALA A 74 -4.688 9.667 0.468 1.00 0.00 N ATOM 1144 CA ALA A 74 -6.090 9.699 0.867 1.00 0.00 C ATOM 1145 C ALA A 74 -6.719 8.313 0.772 1.00 0.00 C ATOM 1146 O ALA A 74 -6.984 7.814 -0.322 1.00 0.00 O ATOM 1147 CB ALA A 74 -6.861 10.691 0.009 1.00 0.00 C ATOM 0 H ALA A 74 -4.425 8.851 -0.085 1.00 0.00 H new ATOM 0 HA ALA A 74 -6.139 10.021 1.907 1.00 0.00 H new ATOM 0 HB1 ALA A 74 -7.906 10.704 0.318 1.00 0.00 H new ATOM 0 HB2 ALA A 74 -6.434 11.686 0.131 1.00 0.00 H new ATOM 0 HB3 ALA A 74 -6.796 10.394 -1.038 1.00 0.00 H new ATOM 1153 N VAL A 75 -6.955 7.695 1.925 1.00 0.00 N ATOM 1154 CA VAL A 75 -7.553 6.366 1.971 1.00 0.00 C ATOM 1155 C VAL A 75 -9.039 6.444 2.306 1.00 0.00 C ATOM 1156 O VAL A 75 -9.545 7.501 2.680 1.00 0.00 O ATOM 1157 CB VAL A 75 -6.850 5.470 3.008 1.00 0.00 C ATOM 1158 CG1 VAL A 75 -5.359 5.766 3.047 1.00 0.00 C ATOM 1159 CG2 VAL A 75 -7.475 5.656 4.383 1.00 0.00 C ATOM 0 H VAL A 75 -6.741 8.093 2.839 1.00 0.00 H new ATOM 0 HA VAL A 75 -7.429 5.928 0.981 1.00 0.00 H new ATOM 0 HB VAL A 75 -6.981 4.429 2.712 1.00 0.00 H new ATOM 0 HG11 VAL A 75 -4.880 5.123 3.785 1.00 0.00 H new ATOM 0 HG12 VAL A 75 -4.925 5.577 2.065 1.00 0.00 H new ATOM 0 HG13 VAL A 75 -5.202 6.810 3.318 1.00 0.00 H new ATOM 0 HG21 VAL A 75 -6.966 5.016 5.104 1.00 0.00 H new ATOM 0 HG22 VAL A 75 -7.376 6.697 4.690 1.00 0.00 H new ATOM 0 HG23 VAL A 75 -8.531 5.389 4.342 1.00 0.00 H new ATOM 1169 N GLN A 76 -9.730 5.317 2.169 1.00 0.00 N ATOM 1170 CA GLN A 76 -11.158 5.258 2.457 1.00 0.00 C ATOM 1171 C GLN A 76 -11.506 3.987 3.226 1.00 0.00 C ATOM 1172 O GLN A 76 -10.940 2.923 2.975 1.00 0.00 O ATOM 1173 CB GLN A 76 -11.965 5.320 1.159 1.00 0.00 C ATOM 1174 CG GLN A 76 -11.648 6.536 0.304 1.00 0.00 C ATOM 1175 CD GLN A 76 -12.254 7.812 0.856 1.00 0.00 C ATOM 1176 OE1 GLN A 76 -12.782 7.831 1.968 1.00 0.00 O ATOM 1177 NE2 GLN A 76 -12.179 8.887 0.079 1.00 0.00 N ATOM 0 H GLN A 76 -9.325 4.433 1.861 1.00 0.00 H new ATOM 0 HA GLN A 76 -11.414 6.118 3.077 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -11.773 4.418 0.578 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -13.028 5.323 1.401 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -10.567 6.653 0.233 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -12.018 6.371 -0.708 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -11.732 8.825 -0.836 1.00 0.00 H new ATOM 0 HE22 GLN A 76 -12.568 9.774 0.397 1.00 0.00 H new ATOM 1186 N LEU A 77 -12.441 4.106 4.162 1.00 0.00 N ATOM 1187 CA LEU A 77 -12.865 2.966 4.968 1.00 0.00 C ATOM 1188 C LEU A 77 -13.076 1.732 4.098 1.00 0.00 C ATOM 1189 O LEU A 77 -12.748 0.615 4.498 1.00 0.00 O ATOM 1190 CB LEU A 77 -14.155 3.300 5.720 1.00 0.00 C ATOM 1191 CG LEU A 77 -14.125 4.570 6.572 1.00 0.00 C ATOM 1192 CD1 LEU A 77 -15.506 4.867 7.136 1.00 0.00 C ATOM 1193 CD2 LEU A 77 -13.107 4.435 7.695 1.00 0.00 C ATOM 0 H LEU A 77 -12.920 4.979 4.382 1.00 0.00 H new ATOM 0 HA LEU A 77 -12.077 2.749 5.689 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -14.962 3.393 4.993 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -14.404 2.458 6.367 1.00 0.00 H new ATOM 0 HG LEU A 77 -13.827 5.404 5.936 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -15.465 5.774 7.739 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -16.211 5.008 6.317 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -15.833 4.033 7.757 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -13.099 5.348 8.291 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -13.375 3.590 8.329 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -12.117 4.271 7.270 1.00 0.00 H new ATOM 1205 N GLU A 78 -13.624 1.942 2.905 1.00 0.00 N ATOM 1206 CA GLU A 78 -13.877 0.845 1.977 1.00 0.00 C ATOM 1207 C GLU A 78 -12.570 0.188 1.542 1.00 0.00 C ATOM 1208 O GLU A 78 -12.506 -1.027 1.354 1.00 0.00 O ATOM 1209 CB GLU A 78 -14.639 1.351 0.751 1.00 0.00 C ATOM 1210 CG GLU A 78 -14.357 2.805 0.416 1.00 0.00 C ATOM 1211 CD GLU A 78 -14.827 3.185 -0.975 1.00 0.00 C ATOM 1212 OE1 GLU A 78 -14.224 2.705 -1.958 1.00 0.00 O ATOM 1213 OE2 GLU A 78 -15.798 3.963 -1.081 1.00 0.00 O ATOM 0 H GLU A 78 -13.901 2.860 2.558 1.00 0.00 H new ATOM 0 HA GLU A 78 -14.484 0.100 2.491 1.00 0.00 H new ATOM 0 HB2 GLU A 78 -14.380 0.732 -0.108 1.00 0.00 H new ATOM 0 HB3 GLU A 78 -15.708 1.227 0.922 1.00 0.00 H new ATOM 0 HG2 GLU A 78 -14.849 3.445 1.149 1.00 0.00 H new ATOM 0 HG3 GLU A 78 -13.286 2.992 0.497 1.00 0.00 H new ATOM 1220 N ASP A 79 -11.531 1.001 1.384 1.00 0.00 N ATOM 1221 CA ASP A 79 -10.225 0.500 0.972 1.00 0.00 C ATOM 1222 C ASP A 79 -9.731 -0.582 1.927 1.00 0.00 C ATOM 1223 O ASP A 79 -9.091 -1.547 1.510 1.00 0.00 O ATOM 1224 CB ASP A 79 -9.212 1.644 0.911 1.00 0.00 C ATOM 1225 CG ASP A 79 -9.557 2.667 -0.154 1.00 0.00 C ATOM 1226 OD1 ASP A 79 -10.279 2.309 -1.108 1.00 0.00 O ATOM 1227 OD2 ASP A 79 -9.105 3.825 -0.034 1.00 0.00 O ATOM 0 H ASP A 79 -11.568 2.009 1.535 1.00 0.00 H new ATOM 0 HA ASP A 79 -10.329 0.063 -0.021 1.00 0.00 H new ATOM 0 HB2 ASP A 79 -9.166 2.137 1.882 1.00 0.00 H new ATOM 0 HB3 ASP A 79 -8.220 1.237 0.712 1.00 0.00 H new ATOM 1232 N SER A 80 -10.033 -0.414 3.210 1.00 0.00 N ATOM 1233 CA SER A 80 -9.616 -1.374 4.226 1.00 0.00 C ATOM 1234 C SER A 80 -9.868 -2.804 3.758 1.00 0.00 C ATOM 1235 O SER A 80 -11.012 -3.214 3.568 1.00 0.00 O ATOM 1236 CB SER A 80 -10.359 -1.115 5.538 1.00 0.00 C ATOM 1237 OG SER A 80 -11.682 -1.620 5.482 1.00 0.00 O ATOM 0 H SER A 80 -10.565 0.378 3.571 1.00 0.00 H new ATOM 0 HA SER A 80 -8.546 -1.248 4.392 1.00 0.00 H new ATOM 0 HB2 SER A 80 -9.822 -1.584 6.363 1.00 0.00 H new ATOM 0 HB3 SER A 80 -10.383 -0.044 5.741 1.00 0.00 H new ATOM 0 HG SER A 80 -12.250 -0.994 4.987 1.00 0.00 H new ATOM 1243 N GLY A 81 -8.789 -3.559 3.574 1.00 0.00 N ATOM 1244 CA GLY A 81 -8.914 -4.935 3.130 1.00 0.00 C ATOM 1245 C GLY A 81 -7.608 -5.698 3.233 1.00 0.00 C ATOM 1246 O GLY A 81 -6.869 -5.548 4.205 1.00 0.00 O ATOM 0 H GLY A 81 -7.831 -3.242 3.724 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -9.674 -5.439 3.728 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -9.260 -4.950 2.096 1.00 0.00 H new ATOM 1250 N GLU A 82 -7.324 -6.520 2.227 1.00 0.00 N ATOM 1251 CA GLU A 82 -6.099 -7.311 2.210 1.00 0.00 C ATOM 1252 C GLU A 82 -5.204 -6.904 1.043 1.00 0.00 C ATOM 1253 O GLU A 82 -5.438 -7.300 -0.099 1.00 0.00 O ATOM 1254 CB GLU A 82 -6.429 -8.802 2.119 1.00 0.00 C ATOM 1255 CG GLU A 82 -5.383 -9.698 2.760 1.00 0.00 C ATOM 1256 CD GLU A 82 -5.725 -11.170 2.642 1.00 0.00 C ATOM 1257 OE1 GLU A 82 -6.424 -11.692 3.535 1.00 0.00 O ATOM 1258 OE2 GLU A 82 -5.292 -11.801 1.655 1.00 0.00 O ATOM 0 H GLU A 82 -7.925 -6.655 1.414 1.00 0.00 H new ATOM 0 HA GLU A 82 -5.562 -7.122 3.140 1.00 0.00 H new ATOM 0 HB2 GLU A 82 -7.392 -8.982 2.597 1.00 0.00 H new ATOM 0 HB3 GLU A 82 -6.538 -9.078 1.070 1.00 0.00 H new ATOM 0 HG2 GLU A 82 -4.416 -9.515 2.291 1.00 0.00 H new ATOM 0 HG3 GLU A 82 -5.281 -9.436 3.813 1.00 0.00 H new ATOM 1265 N TYR A 83 -4.181 -6.110 1.338 1.00 0.00 N ATOM 1266 CA TYR A 83 -3.253 -5.647 0.313 1.00 0.00 C ATOM 1267 C TYR A 83 -2.167 -6.686 0.051 1.00 0.00 C ATOM 1268 O TYR A 83 -1.228 -6.832 0.835 1.00 0.00 O ATOM 1269 CB TYR A 83 -2.615 -4.322 0.734 1.00 0.00 C ATOM 1270 CG TYR A 83 -3.445 -3.110 0.377 1.00 0.00 C ATOM 1271 CD1 TYR A 83 -4.607 -2.808 1.078 1.00 0.00 C ATOM 1272 CD2 TYR A 83 -3.069 -2.267 -0.662 1.00 0.00 C ATOM 1273 CE1 TYR A 83 -5.369 -1.702 0.754 1.00 0.00 C ATOM 1274 CE2 TYR A 83 -3.824 -1.158 -0.991 1.00 0.00 C ATOM 1275 CZ TYR A 83 -4.973 -0.880 -0.280 1.00 0.00 C ATOM 1276 OH TYR A 83 -5.729 0.223 -0.606 1.00 0.00 O ATOM 0 H TYR A 83 -3.973 -5.774 2.278 1.00 0.00 H new ATOM 0 HA TYR A 83 -3.816 -5.496 -0.608 1.00 0.00 H new ATOM 0 HB2 TYR A 83 -2.450 -4.334 1.811 1.00 0.00 H new ATOM 0 HB3 TYR A 83 -1.636 -4.234 0.262 1.00 0.00 H new ATOM 0 HD1 TYR A 83 -4.919 -3.449 1.889 1.00 0.00 H new ATOM 0 HD2 TYR A 83 -2.171 -2.483 -1.222 1.00 0.00 H new ATOM 0 HE1 TYR A 83 -6.270 -1.482 1.308 1.00 0.00 H new ATOM 0 HE2 TYR A 83 -3.516 -0.512 -1.800 1.00 0.00 H new ATOM 0 HH TYR A 83 -5.311 0.696 -1.356 1.00 0.00 H new ATOM 1286 N LEU A 84 -2.302 -7.406 -1.057 1.00 0.00 N ATOM 1287 CA LEU A 84 -1.333 -8.433 -1.425 1.00 0.00 C ATOM 1288 C LEU A 84 -0.420 -7.944 -2.545 1.00 0.00 C ATOM 1289 O LEU A 84 -0.890 -7.516 -3.600 1.00 0.00 O ATOM 1290 CB LEU A 84 -2.053 -9.710 -1.860 1.00 0.00 C ATOM 1291 CG LEU A 84 -2.255 -10.769 -0.775 1.00 0.00 C ATOM 1292 CD1 LEU A 84 -0.960 -11.524 -0.519 1.00 0.00 C ATOM 1293 CD2 LEU A 84 -2.764 -10.129 0.508 1.00 0.00 C ATOM 0 H LEU A 84 -3.073 -7.298 -1.716 1.00 0.00 H new ATOM 0 HA LEU A 84 -0.720 -8.649 -0.550 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -3.030 -9.435 -2.258 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -1.491 -10.160 -2.678 1.00 0.00 H new ATOM 0 HG LEU A 84 -3.004 -11.480 -1.124 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.123 -12.273 0.256 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -0.638 -12.015 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -0.190 -10.825 -0.192 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -2.902 -10.898 1.268 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -2.039 -9.395 0.861 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -3.716 -9.635 0.315 1.00 0.00 H new ATOM 1305 N CYS A 85 0.885 -8.011 -2.309 1.00 0.00 N ATOM 1306 CA CYS A 85 1.864 -7.577 -3.299 1.00 0.00 C ATOM 1307 C CYS A 85 2.477 -8.773 -4.020 1.00 0.00 C ATOM 1308 O CYS A 85 3.277 -9.512 -3.446 1.00 0.00 O ATOM 1309 CB CYS A 85 2.964 -6.750 -2.631 1.00 0.00 C ATOM 1310 SG CYS A 85 4.292 -6.247 -3.749 1.00 0.00 S ATOM 0 H CYS A 85 1.290 -8.362 -1.441 1.00 0.00 H new ATOM 0 HA CYS A 85 1.350 -6.958 -4.034 1.00 0.00 H new ATOM 0 HB2 CYS A 85 2.517 -5.859 -2.191 1.00 0.00 H new ATOM 0 HB3 CYS A 85 3.392 -7.329 -1.813 1.00 0.00 H new ATOM 0 HG CYS A 85 4.231 -4.963 -3.945 1.00 0.00 H new ATOM 1316 N GLU A 86 2.095 -8.958 -5.279 1.00 0.00 N ATOM 1317 CA GLU A 86 2.606 -10.067 -6.077 1.00 0.00 C ATOM 1318 C GLU A 86 3.681 -9.589 -7.049 1.00 0.00 C ATOM 1319 O GLU A 86 3.484 -8.616 -7.778 1.00 0.00 O ATOM 1320 CB GLU A 86 1.467 -10.737 -6.848 1.00 0.00 C ATOM 1321 CG GLU A 86 0.230 -10.994 -6.004 1.00 0.00 C ATOM 1322 CD GLU A 86 -0.582 -12.173 -6.504 1.00 0.00 C ATOM 1323 OE1 GLU A 86 -0.102 -13.319 -6.383 1.00 0.00 O ATOM 1324 OE2 GLU A 86 -1.699 -11.949 -7.017 1.00 0.00 O ATOM 0 H GLU A 86 1.434 -8.355 -5.769 1.00 0.00 H new ATOM 0 HA GLU A 86 3.052 -10.794 -5.398 1.00 0.00 H new ATOM 0 HB2 GLU A 86 1.194 -10.108 -7.696 1.00 0.00 H new ATOM 0 HB3 GLU A 86 1.822 -11.684 -7.255 1.00 0.00 H new ATOM 0 HG2 GLU A 86 0.530 -11.176 -4.972 1.00 0.00 H new ATOM 0 HG3 GLU A 86 -0.396 -10.101 -6.002 1.00 0.00 H new ATOM 1331 N ILE A 87 4.816 -10.279 -7.053 1.00 0.00 N ATOM 1332 CA ILE A 87 5.921 -9.925 -7.935 1.00 0.00 C ATOM 1333 C ILE A 87 6.037 -10.910 -9.093 1.00 0.00 C ATOM 1334 O ILE A 87 5.797 -10.557 -10.248 1.00 0.00 O ATOM 1335 CB ILE A 87 7.259 -9.886 -7.173 1.00 0.00 C ATOM 1336 CG1 ILE A 87 8.405 -10.321 -8.089 1.00 0.00 C ATOM 1337 CG2 ILE A 87 7.193 -10.774 -5.940 1.00 0.00 C ATOM 1338 CD1 ILE A 87 9.737 -9.705 -7.724 1.00 0.00 C ATOM 0 H ILE A 87 4.995 -11.086 -6.456 1.00 0.00 H new ATOM 0 HA ILE A 87 5.706 -8.931 -8.327 1.00 0.00 H new ATOM 0 HB ILE A 87 7.446 -8.862 -6.849 1.00 0.00 H new ATOM 0 HG12 ILE A 87 8.494 -11.407 -8.055 1.00 0.00 H new ATOM 0 HG13 ILE A 87 8.160 -10.053 -9.117 1.00 0.00 H new ATOM 0 HG21 ILE A 87 8.146 -10.736 -5.413 1.00 0.00 H new ATOM 0 HG22 ILE A 87 6.399 -10.423 -5.281 1.00 0.00 H new ATOM 0 HG23 ILE A 87 6.986 -11.801 -6.242 1.00 0.00 H new ATOM 0 HD11 ILE A 87 10.503 -10.058 -8.415 1.00 0.00 H new ATOM 0 HD12 ILE A 87 9.665 -8.619 -7.786 1.00 0.00 H new ATOM 0 HD13 ILE A 87 10.005 -9.994 -6.708 1.00 0.00 H new ATOM 1350 N ASP A 88 6.404 -12.147 -8.776 1.00 0.00 N ATOM 1351 CA ASP A 88 6.549 -13.185 -9.790 1.00 0.00 C ATOM 1352 C ASP A 88 5.655 -14.381 -9.475 1.00 0.00 C ATOM 1353 O ASP A 88 4.652 -14.613 -10.150 1.00 0.00 O ATOM 1354 CB ASP A 88 8.008 -13.634 -9.886 1.00 0.00 C ATOM 1355 CG ASP A 88 8.387 -14.075 -11.286 1.00 0.00 C ATOM 1356 OD1 ASP A 88 8.403 -13.217 -12.194 1.00 0.00 O ATOM 1357 OD2 ASP A 88 8.667 -15.277 -11.475 1.00 0.00 O ATOM 0 H ASP A 88 6.606 -12.455 -7.825 1.00 0.00 H new ATOM 0 HA ASP A 88 6.242 -12.767 -10.749 1.00 0.00 H new ATOM 0 HB2 ASP A 88 8.658 -12.815 -9.578 1.00 0.00 H new ATOM 0 HB3 ASP A 88 8.179 -14.456 -9.191 1.00 0.00 H new ATOM 1362 N ASP A 89 6.027 -15.136 -8.447 1.00 0.00 N ATOM 1363 CA ASP A 89 5.259 -16.308 -8.042 1.00 0.00 C ATOM 1364 C ASP A 89 4.812 -16.189 -6.589 1.00 0.00 C ATOM 1365 O ASP A 89 3.850 -16.833 -6.171 1.00 0.00 O ATOM 1366 CB ASP A 89 6.090 -17.578 -8.231 1.00 0.00 C ATOM 1367 CG ASP A 89 5.231 -18.798 -8.498 1.00 0.00 C ATOM 1368 OD1 ASP A 89 4.173 -18.931 -7.849 1.00 0.00 O ATOM 1369 OD2 ASP A 89 5.616 -19.619 -9.357 1.00 0.00 O ATOM 0 H ASP A 89 6.855 -14.958 -7.879 1.00 0.00 H new ATOM 0 HA ASP A 89 4.372 -16.366 -8.672 1.00 0.00 H new ATOM 0 HB2 ASP A 89 6.782 -17.436 -9.061 1.00 0.00 H new ATOM 0 HB3 ASP A 89 6.693 -17.750 -7.339 1.00 0.00 H new ATOM 1374 N GLU A 90 5.517 -15.361 -5.824 1.00 0.00 N ATOM 1375 CA GLU A 90 5.192 -15.160 -4.416 1.00 0.00 C ATOM 1376 C GLU A 90 4.405 -13.868 -4.219 1.00 0.00 C ATOM 1377 O GLU A 90 4.302 -13.046 -5.129 1.00 0.00 O ATOM 1378 CB GLU A 90 6.470 -15.125 -3.575 1.00 0.00 C ATOM 1379 CG GLU A 90 7.329 -16.370 -3.721 1.00 0.00 C ATOM 1380 CD GLU A 90 6.672 -17.604 -3.135 1.00 0.00 C ATOM 1381 OE1 GLU A 90 5.721 -18.123 -3.756 1.00 0.00 O ATOM 1382 OE2 GLU A 90 7.110 -18.052 -2.054 1.00 0.00 O ATOM 0 H GLU A 90 6.316 -14.819 -6.155 1.00 0.00 H new ATOM 0 HA GLU A 90 4.573 -15.996 -4.089 1.00 0.00 H new ATOM 0 HB2 GLU A 90 7.058 -14.253 -3.859 1.00 0.00 H new ATOM 0 HB3 GLU A 90 6.201 -15.000 -2.526 1.00 0.00 H new ATOM 0 HG2 GLU A 90 7.538 -16.541 -4.777 1.00 0.00 H new ATOM 0 HG3 GLU A 90 8.288 -16.205 -3.229 1.00 0.00 H new ATOM 1389 N SER A 91 3.850 -13.697 -3.023 1.00 0.00 N ATOM 1390 CA SER A 91 3.068 -12.508 -2.706 1.00 0.00 C ATOM 1391 C SER A 91 3.252 -12.110 -1.245 1.00 0.00 C ATOM 1392 O SER A 91 3.430 -12.962 -0.376 1.00 0.00 O ATOM 1393 CB SER A 91 1.586 -12.754 -2.996 1.00 0.00 C ATOM 1394 OG SER A 91 1.129 -13.930 -2.351 1.00 0.00 O ATOM 0 H SER A 91 3.928 -14.367 -2.258 1.00 0.00 H new ATOM 0 HA SER A 91 3.424 -11.692 -3.335 1.00 0.00 H new ATOM 0 HB2 SER A 91 0.999 -11.899 -2.659 1.00 0.00 H new ATOM 0 HB3 SER A 91 1.432 -12.842 -4.072 1.00 0.00 H new ATOM 0 HG SER A 91 0.179 -14.064 -2.550 1.00 0.00 H new ATOM 1400 N ALA A 92 3.208 -10.807 -0.983 1.00 0.00 N ATOM 1401 CA ALA A 92 3.369 -10.295 0.372 1.00 0.00 C ATOM 1402 C ALA A 92 2.029 -9.859 0.955 1.00 0.00 C ATOM 1403 O ALA A 92 1.254 -9.161 0.302 1.00 0.00 O ATOM 1404 CB ALA A 92 4.354 -9.136 0.384 1.00 0.00 C ATOM 0 H ALA A 92 3.062 -10.088 -1.691 1.00 0.00 H new ATOM 0 HA ALA A 92 3.763 -11.098 0.994 1.00 0.00 H new ATOM 0 HB1 ALA A 92 4.465 -8.763 1.402 1.00 0.00 H new ATOM 0 HB2 ALA A 92 5.321 -9.477 0.015 1.00 0.00 H new ATOM 0 HB3 ALA A 92 3.983 -8.336 -0.257 1.00 0.00 H new ATOM 1410 N SER A 93 1.763 -10.275 2.189 1.00 0.00 N ATOM 1411 CA SER A 93 0.514 -9.931 2.860 1.00 0.00 C ATOM 1412 C SER A 93 0.654 -8.621 3.629 1.00 0.00 C ATOM 1413 O SER A 93 1.546 -8.469 4.463 1.00 0.00 O ATOM 1414 CB SER A 93 0.097 -11.053 3.812 1.00 0.00 C ATOM 1415 OG SER A 93 -0.892 -10.605 4.724 1.00 0.00 O ATOM 0 H SER A 93 2.395 -10.851 2.745 1.00 0.00 H new ATOM 0 HA SER A 93 -0.256 -9.805 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 93 -0.287 -11.897 3.239 1.00 0.00 H new ATOM 0 HB3 SER A 93 0.968 -11.411 4.361 1.00 0.00 H new ATOM 0 HG SER A 93 -1.642 -11.236 4.729 1.00 0.00 H new ATOM 1421 N PHE A 94 -0.235 -7.676 3.341 1.00 0.00 N ATOM 1422 CA PHE A 94 -0.212 -6.377 4.004 1.00 0.00 C ATOM 1423 C PHE A 94 -1.611 -5.973 4.458 1.00 0.00 C ATOM 1424 O PHE A 94 -2.421 -5.493 3.664 1.00 0.00 O ATOM 1425 CB PHE A 94 0.359 -5.312 3.065 1.00 0.00 C ATOM 1426 CG PHE A 94 1.850 -5.392 2.904 1.00 0.00 C ATOM 1427 CD1 PHE A 94 2.694 -4.927 3.901 1.00 0.00 C ATOM 1428 CD2 PHE A 94 2.408 -5.931 1.756 1.00 0.00 C ATOM 1429 CE1 PHE A 94 4.067 -5.000 3.756 1.00 0.00 C ATOM 1430 CE2 PHE A 94 3.780 -6.006 1.606 1.00 0.00 C ATOM 1431 CZ PHE A 94 4.610 -5.539 2.607 1.00 0.00 C ATOM 0 H PHE A 94 -0.980 -7.785 2.653 1.00 0.00 H new ATOM 0 HA PHE A 94 0.427 -6.457 4.883 1.00 0.00 H new ATOM 0 HB2 PHE A 94 -0.110 -5.413 2.086 1.00 0.00 H new ATOM 0 HB3 PHE A 94 0.095 -4.325 3.445 1.00 0.00 H new ATOM 0 HD1 PHE A 94 2.274 -4.503 4.801 1.00 0.00 H new ATOM 0 HD2 PHE A 94 1.764 -6.296 0.970 1.00 0.00 H new ATOM 0 HE1 PHE A 94 4.714 -4.636 4.541 1.00 0.00 H new ATOM 0 HE2 PHE A 94 4.203 -6.429 0.707 1.00 0.00 H new ATOM 0 HZ PHE A 94 5.682 -5.596 2.491 1.00 0.00 H new ATOM 1441 N THR A 95 -1.890 -6.172 5.743 1.00 0.00 N ATOM 1442 CA THR A 95 -3.191 -5.831 6.304 1.00 0.00 C ATOM 1443 C THR A 95 -3.288 -4.339 6.601 1.00 0.00 C ATOM 1444 O THR A 95 -2.477 -3.790 7.347 1.00 0.00 O ATOM 1445 CB THR A 95 -3.469 -6.619 7.598 1.00 0.00 C ATOM 1446 OG1 THR A 95 -3.527 -8.021 7.315 1.00 0.00 O ATOM 1447 CG2 THR A 95 -4.776 -6.171 8.235 1.00 0.00 C ATOM 0 H THR A 95 -1.232 -6.568 6.414 1.00 0.00 H new ATOM 0 HA THR A 95 -3.937 -6.099 5.556 1.00 0.00 H new ATOM 0 HB THR A 95 -2.656 -6.423 8.298 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.702 -8.515 8.143 1.00 0.00 H new ATOM 0 HG21 THR A 95 -4.951 -6.742 9.147 1.00 0.00 H new ATOM 0 HG22 THR A 95 -4.718 -5.110 8.477 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.597 -6.340 7.538 1.00 0.00 H new ATOM 1455 N VAL A 96 -4.286 -3.687 6.012 1.00 0.00 N ATOM 1456 CA VAL A 96 -4.490 -2.257 6.215 1.00 0.00 C ATOM 1457 C VAL A 96 -5.918 -1.964 6.662 1.00 0.00 C ATOM 1458 O VAL A 96 -6.824 -1.832 5.839 1.00 0.00 O ATOM 1459 CB VAL A 96 -4.192 -1.460 4.932 1.00 0.00 C ATOM 1460 CG1 VAL A 96 -4.433 0.025 5.157 1.00 0.00 C ATOM 1461 CG2 VAL A 96 -2.765 -1.712 4.468 1.00 0.00 C ATOM 0 H VAL A 96 -4.965 -4.126 5.391 1.00 0.00 H new ATOM 0 HA VAL A 96 -3.796 -1.946 6.996 1.00 0.00 H new ATOM 0 HB VAL A 96 -4.870 -1.799 4.149 1.00 0.00 H new ATOM 0 HG11 VAL A 96 -4.217 0.572 4.239 1.00 0.00 H new ATOM 0 HG12 VAL A 96 -5.473 0.186 5.439 1.00 0.00 H new ATOM 0 HG13 VAL A 96 -3.781 0.383 5.954 1.00 0.00 H new ATOM 0 HG21 VAL A 96 -2.571 -1.141 3.560 1.00 0.00 H new ATOM 0 HG22 VAL A 96 -2.069 -1.402 5.247 1.00 0.00 H new ATOM 0 HG23 VAL A 96 -2.631 -2.774 4.264 1.00 0.00 H new ATOM 1471 N THR A 97 -6.112 -1.862 7.974 1.00 0.00 N ATOM 1472 CA THR A 97 -7.430 -1.585 8.532 1.00 0.00 C ATOM 1473 C THR A 97 -7.626 -0.091 8.763 1.00 0.00 C ATOM 1474 O THR A 97 -6.927 0.519 9.572 1.00 0.00 O ATOM 1475 CB THR A 97 -7.645 -2.331 9.862 1.00 0.00 C ATOM 1476 OG1 THR A 97 -7.541 -3.744 9.653 1.00 0.00 O ATOM 1477 CG2 THR A 97 -9.006 -1.999 10.454 1.00 0.00 C ATOM 0 H THR A 97 -5.373 -1.967 8.669 1.00 0.00 H new ATOM 0 HA THR A 97 -8.162 -1.937 7.804 1.00 0.00 H new ATOM 0 HB THR A 97 -6.874 -2.010 10.563 1.00 0.00 H new ATOM 0 HG1 THR A 97 -7.677 -4.211 10.504 1.00 0.00 H new ATOM 0 HG21 THR A 97 -9.136 -2.537 11.393 1.00 0.00 H new ATOM 0 HG22 THR A 97 -9.071 -0.927 10.639 1.00 0.00 H new ATOM 0 HG23 THR A 97 -9.789 -2.295 9.755 1.00 0.00 H new ATOM 1485 N VAL A 98 -8.582 0.493 8.048 1.00 0.00 N ATOM 1486 CA VAL A 98 -8.871 1.917 8.176 1.00 0.00 C ATOM 1487 C VAL A 98 -10.105 2.151 9.040 1.00 0.00 C ATOM 1488 O VAL A 98 -11.106 1.443 8.918 1.00 0.00 O ATOM 1489 CB VAL A 98 -9.090 2.572 6.800 1.00 0.00 C ATOM 1490 CG1 VAL A 98 -9.381 4.057 6.955 1.00 0.00 C ATOM 1491 CG2 VAL A 98 -7.880 2.348 5.905 1.00 0.00 C ATOM 0 H VAL A 98 -9.170 0.002 7.374 1.00 0.00 H new ATOM 0 HA VAL A 98 -8.004 2.374 8.653 1.00 0.00 H new ATOM 0 HB VAL A 98 -9.954 2.105 6.328 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -9.533 4.503 5.972 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -10.280 4.191 7.557 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -8.539 4.543 7.448 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -8.052 2.818 4.936 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -6.997 2.787 6.370 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -7.723 1.278 5.767 1.00 0.00 H new ATOM 1501 N THR A 99 -10.029 3.149 9.915 1.00 0.00 N ATOM 1502 CA THR A 99 -11.139 3.477 10.800 1.00 0.00 C ATOM 1503 C THR A 99 -11.416 4.976 10.803 1.00 0.00 C ATOM 1504 O THR A 99 -10.718 5.746 10.144 1.00 0.00 O ATOM 1505 CB THR A 99 -10.863 3.014 12.243 1.00 0.00 C ATOM 1506 OG1 THR A 99 -9.564 3.453 12.658 1.00 0.00 O ATOM 1507 CG2 THR A 99 -10.950 1.499 12.351 1.00 0.00 C ATOM 0 H THR A 99 -9.209 3.745 10.029 1.00 0.00 H new ATOM 0 HA THR A 99 -12.013 2.950 10.418 1.00 0.00 H new ATOM 0 HB THR A 99 -11.620 3.453 12.893 1.00 0.00 H new ATOM 0 HG1 THR A 99 -9.397 3.156 13.577 1.00 0.00 H new ATOM 0 HG21 THR A 99 -10.751 1.196 13.379 1.00 0.00 H new ATOM 0 HG22 THR A 99 -11.948 1.170 12.062 1.00 0.00 H new ATOM 0 HG23 THR A 99 -10.213 1.044 11.690 1.00 0.00 H new ATOM 1515 N GLU A 100 -12.437 5.383 11.550 1.00 0.00 N ATOM 1516 CA GLU A 100 -12.805 6.791 11.639 1.00 0.00 C ATOM 1517 C GLU A 100 -11.903 7.528 12.624 1.00 0.00 C ATOM 1518 O GLU A 100 -11.590 7.034 13.708 1.00 0.00 O ATOM 1519 CB GLU A 100 -14.268 6.934 12.064 1.00 0.00 C ATOM 1520 CG GLU A 100 -15.251 6.334 11.073 1.00 0.00 C ATOM 1521 CD GLU A 100 -16.615 6.080 11.685 1.00 0.00 C ATOM 1522 OE1 GLU A 100 -16.747 5.104 12.453 1.00 0.00 O ATOM 1523 OE2 GLU A 100 -17.549 6.857 11.397 1.00 0.00 O ATOM 0 H GLU A 100 -13.024 4.758 12.102 1.00 0.00 H new ATOM 0 HA GLU A 100 -12.676 7.236 10.652 1.00 0.00 H new ATOM 0 HB2 GLU A 100 -14.404 6.455 13.034 1.00 0.00 H new ATOM 0 HB3 GLU A 100 -14.498 7.991 12.196 1.00 0.00 H new ATOM 0 HG2 GLU A 100 -15.358 7.006 10.222 1.00 0.00 H new ATOM 0 HG3 GLU A 100 -14.848 5.396 10.690 1.00 0.00 H new ATOM 1530 N PRO A 101 -11.474 8.740 12.241 1.00 0.00 N ATOM 1531 CA PRO A 101 -10.602 9.572 13.076 1.00 0.00 C ATOM 1532 C PRO A 101 -11.320 10.108 14.309 1.00 0.00 C ATOM 1533 O PRO A 101 -12.547 10.071 14.408 1.00 0.00 O ATOM 1534 CB PRO A 101 -10.209 10.720 12.143 1.00 0.00 C ATOM 1535 CG PRO A 101 -11.318 10.801 11.152 1.00 0.00 C ATOM 1536 CD PRO A 101 -11.807 9.391 10.963 1.00 0.00 C ATOM 0 HA PRO A 101 -9.752 9.011 13.465 1.00 0.00 H new ATOM 0 HB2 PRO A 101 -10.099 11.656 12.691 1.00 0.00 H new ATOM 0 HB3 PRO A 101 -9.255 10.523 11.654 1.00 0.00 H new ATOM 0 HG2 PRO A 101 -12.118 11.447 11.514 1.00 0.00 H new ATOM 0 HG3 PRO A 101 -10.969 11.223 10.209 1.00 0.00 H new ATOM 0 HD2 PRO A 101 -12.878 9.361 10.764 1.00 0.00 H new ATOM 0 HD3 PRO A 101 -11.312 8.903 10.123 1.00 0.00 H new ATOM 1544 N PRO A 102 -10.540 10.621 15.272 1.00 0.00 N ATOM 1545 CA PRO A 102 -11.081 11.176 16.516 1.00 0.00 C ATOM 1546 C PRO A 102 -11.830 12.486 16.290 1.00 0.00 C ATOM 1547 O PRO A 102 -11.754 13.077 15.213 1.00 0.00 O ATOM 1548 CB PRO A 102 -9.833 11.415 17.370 1.00 0.00 C ATOM 1549 CG PRO A 102 -8.728 11.585 16.387 1.00 0.00 C ATOM 1550 CD PRO A 102 -9.071 10.698 15.221 1.00 0.00 C ATOM 0 HA PRO A 102 -11.809 10.508 16.977 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -9.945 12.300 17.996 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -9.643 10.574 18.037 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -8.641 12.625 16.074 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -7.770 11.303 16.824 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -8.723 11.121 14.278 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -8.613 9.713 15.317 1.00 0.00 H new ATOM 1558 N VAL A 103 -12.552 12.933 17.312 1.00 0.00 N ATOM 1559 CA VAL A 103 -13.314 14.174 17.224 1.00 0.00 C ATOM 1560 C VAL A 103 -12.390 15.374 17.049 1.00 0.00 C ATOM 1561 O VAL A 103 -11.310 15.430 17.637 1.00 0.00 O ATOM 1562 CB VAL A 103 -14.184 14.388 18.477 1.00 0.00 C ATOM 1563 CG1 VAL A 103 -13.311 14.660 19.693 1.00 0.00 C ATOM 1564 CG2 VAL A 103 -15.169 15.525 18.252 1.00 0.00 C ATOM 0 H VAL A 103 -12.626 12.455 18.210 1.00 0.00 H new ATOM 0 HA VAL A 103 -13.962 14.087 16.352 1.00 0.00 H new ATOM 0 HB VAL A 103 -14.752 13.477 18.665 1.00 0.00 H new ATOM 0 HG11 VAL A 103 -13.943 14.809 20.569 1.00 0.00 H new ATOM 0 HG12 VAL A 103 -12.649 13.811 19.863 1.00 0.00 H new ATOM 0 HG13 VAL A 103 -12.715 15.556 19.520 1.00 0.00 H new ATOM 0 HG21 VAL A 103 -15.776 15.663 19.147 1.00 0.00 H new ATOM 0 HG22 VAL A 103 -14.622 16.444 18.039 1.00 0.00 H new ATOM 0 HG23 VAL A 103 -15.816 15.284 17.408 1.00 0.00 H new ATOM 1574 N ARG A 104 -12.823 16.333 16.237 1.00 0.00 N ATOM 1575 CA ARG A 104 -12.034 17.533 15.983 1.00 0.00 C ATOM 1576 C ARG A 104 -12.911 18.781 16.035 1.00 0.00 C ATOM 1577 O ARG A 104 -14.057 18.765 15.585 1.00 0.00 O ATOM 1578 CB ARG A 104 -11.345 17.438 14.621 1.00 0.00 C ATOM 1579 CG ARG A 104 -10.263 16.372 14.559 1.00 0.00 C ATOM 1580 CD ARG A 104 -9.282 16.640 13.428 1.00 0.00 C ATOM 1581 NE ARG A 104 -8.474 15.464 13.115 1.00 0.00 N ATOM 1582 CZ ARG A 104 -7.267 15.527 12.565 1.00 0.00 C ATOM 1583 NH1 ARG A 104 -6.730 16.703 12.269 1.00 0.00 N ATOM 1584 NH2 ARG A 104 -6.593 14.413 12.310 1.00 0.00 N ATOM 0 H ARG A 104 -13.715 16.303 15.744 1.00 0.00 H new ATOM 0 HA ARG A 104 -11.275 17.610 16.762 1.00 0.00 H new ATOM 0 HB2 ARG A 104 -12.094 17.228 13.858 1.00 0.00 H new ATOM 0 HB3 ARG A 104 -10.905 18.405 14.378 1.00 0.00 H new ATOM 0 HG2 ARG A 104 -9.727 16.340 15.507 1.00 0.00 H new ATOM 0 HG3 ARG A 104 -10.722 15.393 14.420 1.00 0.00 H new ATOM 0 HD2 ARG A 104 -9.830 16.951 12.539 1.00 0.00 H new ATOM 0 HD3 ARG A 104 -8.627 17.467 13.704 1.00 0.00 H new ATOM 0 HE ARG A 104 -8.858 14.544 13.331 1.00 0.00 H new ATOM 0 HH11 ARG A 104 -7.244 17.562 12.464 1.00 0.00 H new ATOM 0 HH12 ARG A 104 -5.803 16.748 11.847 1.00 0.00 H new ATOM 0 HH21 ARG A 104 -7.002 13.506 12.536 1.00 0.00 H new ATOM 0 HH22 ARG A 104 -5.666 14.463 11.887 1.00 0.00 H new ATOM 1598 N ILE A 105 -12.365 19.859 16.588 1.00 0.00 N ATOM 1599 CA ILE A 105 -13.097 21.114 16.698 1.00 0.00 C ATOM 1600 C ILE A 105 -13.973 21.349 15.472 1.00 0.00 C ATOM 1601 O ILE A 105 -13.489 21.338 14.340 1.00 0.00 O ATOM 1602 CB ILE A 105 -12.142 22.310 16.870 1.00 0.00 C ATOM 1603 CG1 ILE A 105 -11.314 22.150 18.147 1.00 0.00 C ATOM 1604 CG2 ILE A 105 -12.925 23.614 16.899 1.00 0.00 C ATOM 1605 CD1 ILE A 105 -10.133 23.092 18.224 1.00 0.00 C ATOM 0 H ILE A 105 -11.418 19.888 16.967 1.00 0.00 H new ATOM 0 HA ILE A 105 -13.729 21.034 17.583 1.00 0.00 H new ATOM 0 HB ILE A 105 -11.461 22.337 16.019 1.00 0.00 H new ATOM 0 HG12 ILE A 105 -11.958 22.316 19.011 1.00 0.00 H new ATOM 0 HG13 ILE A 105 -10.954 21.123 18.211 1.00 0.00 H new ATOM 0 HG21 ILE A 105 -12.236 24.450 17.021 1.00 0.00 H new ATOM 0 HG22 ILE A 105 -13.474 23.730 15.964 1.00 0.00 H new ATOM 0 HG23 ILE A 105 -13.627 23.598 17.732 1.00 0.00 H new ATOM 0 HD11 ILE A 105 -9.592 22.922 19.155 1.00 0.00 H new ATOM 0 HD12 ILE A 105 -9.468 22.911 17.380 1.00 0.00 H new ATOM 0 HD13 ILE A 105 -10.487 24.122 18.193 1.00 0.00 H new ATOM 1617 N ILE A 106 -15.263 21.563 15.706 1.00 0.00 N ATOM 1618 CA ILE A 106 -16.206 21.805 14.621 1.00 0.00 C ATOM 1619 C ILE A 106 -15.926 23.138 13.936 1.00 0.00 C ATOM 1620 O ILE A 106 -15.897 24.186 14.583 1.00 0.00 O ATOM 1621 CB ILE A 106 -17.661 21.795 15.126 1.00 0.00 C ATOM 1622 CG1 ILE A 106 -17.987 20.451 15.780 1.00 0.00 C ATOM 1623 CG2 ILE A 106 -18.621 22.080 13.982 1.00 0.00 C ATOM 1624 CD1 ILE A 106 -19.239 20.480 16.630 1.00 0.00 C ATOM 0 H ILE A 106 -15.679 21.574 16.637 1.00 0.00 H new ATOM 0 HA ILE A 106 -16.074 20.996 13.903 1.00 0.00 H new ATOM 0 HB ILE A 106 -17.776 22.579 15.874 1.00 0.00 H new ATOM 0 HG12 ILE A 106 -18.103 19.696 15.002 1.00 0.00 H new ATOM 0 HG13 ILE A 106 -17.144 20.144 16.399 1.00 0.00 H new ATOM 0 HG21 ILE A 106 -19.645 22.069 14.355 1.00 0.00 H new ATOM 0 HG22 ILE A 106 -18.400 23.059 13.557 1.00 0.00 H new ATOM 0 HG23 ILE A 106 -18.507 21.316 13.213 1.00 0.00 H new ATOM 0 HD11 ILE A 106 -19.408 19.494 17.062 1.00 0.00 H new ATOM 0 HD12 ILE A 106 -19.119 21.211 17.430 1.00 0.00 H new ATOM 0 HD13 ILE A 106 -20.093 20.757 16.011 1.00 0.00 H new ATOM 1636 N TYR A 107 -15.723 23.092 12.624 1.00 0.00 N ATOM 1637 CA TYR A 107 -15.446 24.297 11.851 1.00 0.00 C ATOM 1638 C TYR A 107 -16.535 24.539 10.810 1.00 0.00 C ATOM 1639 O TYR A 107 -17.057 25.647 10.688 1.00 0.00 O ATOM 1640 CB TYR A 107 -14.084 24.184 11.164 1.00 0.00 C ATOM 1641 CG TYR A 107 -12.934 24.677 12.013 1.00 0.00 C ATOM 1642 CD1 TYR A 107 -12.745 26.035 12.240 1.00 0.00 C ATOM 1643 CD2 TYR A 107 -12.037 23.786 12.588 1.00 0.00 C ATOM 1644 CE1 TYR A 107 -11.696 26.491 13.014 1.00 0.00 C ATOM 1645 CE2 TYR A 107 -10.986 24.233 13.366 1.00 0.00 C ATOM 1646 CZ TYR A 107 -10.819 25.586 13.575 1.00 0.00 C ATOM 1647 OH TYR A 107 -9.773 26.034 14.348 1.00 0.00 O ATOM 0 H TYR A 107 -15.745 22.234 12.074 1.00 0.00 H new ATOM 0 HA TYR A 107 -15.431 25.144 12.537 1.00 0.00 H new ATOM 0 HB2 TYR A 107 -13.907 23.142 10.897 1.00 0.00 H new ATOM 0 HB3 TYR A 107 -14.107 24.752 10.234 1.00 0.00 H new ATOM 0 HD1 TYR A 107 -13.431 26.746 11.803 1.00 0.00 H new ATOM 0 HD2 TYR A 107 -12.163 22.726 12.424 1.00 0.00 H new ATOM 0 HE1 TYR A 107 -11.563 27.550 13.179 1.00 0.00 H new ATOM 0 HE2 TYR A 107 -10.299 23.527 13.808 1.00 0.00 H new ATOM 0 HH TYR A 107 -9.251 25.269 14.668 1.00 0.00 H new ATOM 1657 N SER A 108 -16.872 23.493 10.062 1.00 0.00 N ATOM 1658 CA SER A 108 -17.897 23.591 9.029 1.00 0.00 C ATOM 1659 C SER A 108 -18.625 22.262 8.859 1.00 0.00 C ATOM 1660 O SER A 108 -18.120 21.210 9.247 1.00 0.00 O ATOM 1661 CB SER A 108 -17.271 24.018 7.700 1.00 0.00 C ATOM 1662 OG SER A 108 -18.256 24.138 6.688 1.00 0.00 O ATOM 0 H SER A 108 -16.451 22.569 10.152 1.00 0.00 H new ATOM 0 HA SER A 108 -18.621 24.344 9.339 1.00 0.00 H new ATOM 0 HB2 SER A 108 -16.757 24.971 7.826 1.00 0.00 H new ATOM 0 HB3 SER A 108 -16.520 23.288 7.397 1.00 0.00 H new ATOM 0 HG SER A 108 -17.831 24.414 5.849 1.00 0.00 H new ATOM 1668 N GLY A 109 -19.818 22.318 8.274 1.00 0.00 N ATOM 1669 CA GLY A 109 -20.598 21.113 8.061 1.00 0.00 C ATOM 1670 C GLY A 109 -22.089 21.384 8.041 1.00 0.00 C ATOM 1671 O GLY A 109 -22.780 21.253 9.052 1.00 0.00 O ATOM 0 H GLY A 109 -20.258 23.177 7.944 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -20.302 20.655 7.117 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -20.373 20.394 8.849 1.00 0.00 H new ATOM 1675 N PRO A 110 -22.608 21.772 6.866 1.00 0.00 N ATOM 1676 CA PRO A 110 -24.032 22.071 6.690 1.00 0.00 C ATOM 1677 C PRO A 110 -24.901 20.821 6.772 1.00 0.00 C ATOM 1678 O PRO A 110 -24.526 19.759 6.276 1.00 0.00 O ATOM 1679 CB PRO A 110 -24.096 22.676 5.285 1.00 0.00 C ATOM 1680 CG PRO A 110 -22.914 22.112 4.576 1.00 0.00 C ATOM 1681 CD PRO A 110 -21.844 21.948 5.620 1.00 0.00 C ATOM 0 HA PRO A 110 -24.410 22.731 7.471 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -25.025 22.409 4.781 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -24.054 23.765 5.320 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -23.157 21.156 4.112 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -22.583 22.778 3.779 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -21.209 21.087 5.413 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -21.192 22.820 5.668 1.00 0.00 H new ATOM 1689 N SER A 111 -26.065 20.955 7.401 1.00 0.00 N ATOM 1690 CA SER A 111 -26.986 19.835 7.550 1.00 0.00 C ATOM 1691 C SER A 111 -27.477 19.349 6.190 1.00 0.00 C ATOM 1692 O SER A 111 -28.353 19.960 5.579 1.00 0.00 O ATOM 1693 CB SER A 111 -28.178 20.240 8.420 1.00 0.00 C ATOM 1694 OG SER A 111 -28.888 21.321 7.840 1.00 0.00 O ATOM 0 H SER A 111 -26.392 21.828 7.815 1.00 0.00 H new ATOM 0 HA SER A 111 -26.450 19.019 8.036 1.00 0.00 H new ATOM 0 HB2 SER A 111 -28.846 19.388 8.547 1.00 0.00 H new ATOM 0 HB3 SER A 111 -27.828 20.521 9.413 1.00 0.00 H new ATOM 0 HG SER A 111 -29.028 21.146 6.886 1.00 0.00 H new ATOM 1700 N SER A 112 -26.904 18.245 5.721 1.00 0.00 N ATOM 1701 CA SER A 112 -27.279 17.678 4.431 1.00 0.00 C ATOM 1702 C SER A 112 -28.698 17.119 4.475 1.00 0.00 C ATOM 1703 O SER A 112 -29.039 16.329 5.354 1.00 0.00 O ATOM 1704 CB SER A 112 -26.297 16.575 4.030 1.00 0.00 C ATOM 1705 OG SER A 112 -26.362 16.315 2.639 1.00 0.00 O ATOM 0 H SER A 112 -26.178 17.726 6.215 1.00 0.00 H new ATOM 0 HA SER A 112 -27.243 18.475 3.688 1.00 0.00 H new ATOM 0 HB2 SER A 112 -25.283 16.870 4.301 1.00 0.00 H new ATOM 0 HB3 SER A 112 -26.523 15.664 4.584 1.00 0.00 H new ATOM 0 HG SER A 112 -25.724 15.608 2.408 1.00 0.00 H new ATOM 1711 N GLY A 113 -29.522 17.537 3.518 1.00 0.00 N ATOM 1712 CA GLY A 113 -30.894 17.070 3.465 1.00 0.00 C ATOM 1713 C GLY A 113 -31.759 17.685 4.548 1.00 0.00 C ATOM 1714 O GLY A 113 -32.831 17.169 4.863 1.00 0.00 O ATOM 0 H GLY A 113 -29.263 18.191 2.779 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -31.317 17.306 2.489 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -30.909 15.985 3.565 1.00 0.00 H new TER 1718 GLY A 113