USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 861 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 1 MET N :NH3+ -179:sc= 0.78 (180deg=0.777) USER MOD Set 1.2: A 53 THR OG1 : rot 180:sc= 0 USER MOD Set 2.1: A 22 HIS : no HD1:sc= -0.0457 X(o=0.15,f=0.02) USER MOD Set 2.2: A 24 CYS SG : rot -3:sc= 0.195 USER MOD Set 3.1: A 8 HIS : no HD1:sc= 0.872 K(o=2.2,f=-5.1!) USER MOD Set 3.2: A 12 SER OG : rot -150:sc= 1.34 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 3 SER OG : rot -42:sc= 0.698 USER MOD Single : A 4 SER OG : rot 66:sc= 0.102 USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=-0.0046) USER MOD Single : A 6 HIS : no HD1:sc= -0.0162 X(o=-0.016,f=0) USER MOD Single : A 7 HIS : no HD1:sc=-0.00105 X(o=-0.001,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.166 X(o=-0.17,f=-0.2) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN :FLIP amide:sc= -1.72 F(o=-5.4!,f=-1.7) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -0.247 X(o=-0.25,f=-0.16) USER MOD Single : A 23 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.55) USER MOD Single : A 27 LYS NZ :NH3+ 169:sc= 2.4 (180deg=1.77) USER MOD Single : A 32 LYS NZ :NH3+ 172:sc= 2.21 (180deg=1.98) USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 95:sc= 1.21 USER MOD Single : A 38 LYS NZ :NH3+ -133:sc= 0.229 (180deg=-0.143) USER MOD Single : A 40 THR OG1 : rot 180:sc= 0.0795 USER MOD Single : A 47 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 48 SER OG : rot -33:sc= 0.0266 USER MOD Single : A 49 CYS SG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot -29:sc= 0.276 USER MOD Single : A 61 SER OG : rot 105:sc= 1.1 USER MOD Single : A 62 ASN :FLIP amide:sc= -0.0825 F(o=-1.3,f=-0.083) USER MOD Single : A 63 ASN : amide:sc= -2.05! C(o=-2!,f=-7.2!) USER MOD Single : A 67 LYS NZ :NH3+ -132:sc= 1.59 (180deg=-0.367) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 HIS : no HD1:sc=-0.00749 X(o=-0.0075,f=0) USER MOD Single : A 77 ASN :FLIP amide:sc= 0 F(o=-0.99,f=0) USER MOD Single : A 78 THR OG1 : rot 71:sc= 1.26 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= -0.0476 X(o=-0.048,f=-0.16) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=-0.26) USER MOD Single : A 88 HIS : no HD1:sc= -0.138 X(o=-0.14,f=0) USER MOD Single : A 91 SER OG : rot 105:sc= 1.32 USER MOD Single : A 92 MET CE :methyl -161:sc= -0.161 (180deg=-0.662) USER MOD Single : A 93 LYS NZ :NH3+ -134:sc= 0.0674 (180deg=-0.577!) USER MOD Single : A 94 CYS SG : rot 125:sc= 0.184 USER MOD Single : A 95 HIS : no HE2:sc= -0.721 K(o=-0.72,f=-3.2!) USER MOD Single : A 96 THR OG1 : rot 180:sc= 0.0594 USER MOD Single : A 100 TYR OH : rot 80:sc= 0.53 USER MOD Single : A 102 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 74:sc= 1.21 USER MOD Single : A 106 LYS NZ :NH3+ -170:sc= 1.31 (180deg=1.13) USER MOD Single : A 108 SER OG : rot 180:sc= -0.16 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.801 23.971 -32.158 1.00 34.77 N ATOM 2 CA MET A 1 -9.786 24.704 -31.368 1.00 34.67 C ATOM 3 C MET A 1 -8.960 25.609 -32.274 1.00 34.12 C ATOM 4 O MET A 1 -8.603 26.725 -31.896 1.00 34.13 O ATOM 5 CB MET A 1 -8.871 23.724 -30.628 1.00 35.09 C ATOM 6 CG MET A 1 -7.888 24.406 -29.689 1.00 35.29 C ATOM 7 SD MET A 1 -8.710 25.332 -28.376 1.00 35.98 S ATOM 8 CE MET A 1 -7.299 26.070 -27.554 1.00 36.14 C ATOM 0 H1 MET A 1 -11.367 23.371 -31.525 1.00 34.77 H new ATOM 0 H2 MET A 1 -11.424 24.651 -32.639 1.00 34.77 H new ATOM 0 H3 MET A 1 -10.326 23.375 -32.866 1.00 34.77 H new ATOM 0 HA MET A 1 -10.303 25.321 -30.633 1.00 34.67 H new ATOM 0 HB2 MET A 1 -9.484 23.027 -30.056 1.00 35.09 H new ATOM 0 HB3 MET A 1 -8.316 23.135 -31.358 1.00 35.09 H new ATOM 0 HG2 MET A 1 -7.235 23.655 -29.245 1.00 35.29 H new ATOM 0 HG3 MET A 1 -7.253 25.082 -30.262 1.00 35.29 H new ATOM 0 HE1 MET A 1 -7.642 26.676 -26.716 1.00 36.14 H new ATOM 0 HE2 MET A 1 -6.639 25.284 -27.187 1.00 36.14 H new ATOM 0 HE3 MET A 1 -6.756 26.700 -28.259 1.00 36.14 H new ATOM 20 N GLY A 2 -8.659 25.131 -33.474 1.00 33.70 N ATOM 21 CA GLY A 2 -7.923 25.939 -34.419 1.00 33.20 C ATOM 22 C GLY A 2 -6.427 25.724 -34.319 1.00 32.51 C ATOM 23 O GLY A 2 -5.969 24.592 -34.151 1.00 32.38 O ATOM 0 H GLY A 2 -8.912 24.201 -33.807 1.00 33.70 H new ATOM 0 HA2 GLY A 2 -8.255 25.703 -35.430 1.00 33.20 H new ATOM 0 HA3 GLY A 2 -8.149 26.991 -34.247 1.00 33.20 H new ATOM 27 N SER A 3 -5.679 26.817 -34.393 1.00 32.14 N ATOM 28 CA SER A 3 -4.226 26.763 -34.441 1.00 31.53 C ATOM 29 C SER A 3 -3.619 26.100 -33.211 1.00 30.66 C ATOM 30 O SER A 3 -3.770 26.570 -32.080 1.00 30.36 O ATOM 31 CB SER A 3 -3.653 28.164 -34.627 1.00 31.79 C ATOM 32 OG SER A 3 -4.018 28.683 -35.895 1.00 32.35 O ATOM 0 H SER A 3 -6.062 27.762 -34.421 1.00 32.14 H new ATOM 0 HA SER A 3 -3.958 26.143 -35.297 1.00 31.53 H new ATOM 0 HB2 SER A 3 -4.020 28.821 -33.839 1.00 31.79 H new ATOM 0 HB3 SER A 3 -2.567 28.134 -34.538 1.00 31.79 H new ATOM 0 HG SER A 3 -3.936 27.979 -36.572 1.00 32.35 H new ATOM 38 N SER A 4 -2.932 25.002 -33.464 1.00 30.35 N ATOM 39 CA SER A 4 -2.219 24.268 -32.439 1.00 29.61 C ATOM 40 C SER A 4 -0.756 24.102 -32.852 1.00 28.85 C ATOM 41 O SER A 4 0.121 23.881 -32.017 1.00 28.81 O ATOM 42 CB SER A 4 -2.879 22.904 -32.226 1.00 29.84 C ATOM 43 OG SER A 4 -4.272 23.045 -31.988 1.00 30.38 O ATOM 0 H SER A 4 -2.853 24.592 -34.395 1.00 30.35 H new ATOM 0 HA SER A 4 -2.256 24.820 -31.500 1.00 29.61 H new ATOM 0 HB2 SER A 4 -2.718 22.277 -33.103 1.00 29.84 H new ATOM 0 HB3 SER A 4 -2.411 22.398 -31.382 1.00 29.84 H new ATOM 0 HG SER A 4 -4.707 23.397 -32.792 1.00 30.38 H new ATOM 49 N HIS A 5 -0.498 24.225 -34.152 1.00 28.34 N ATOM 50 CA HIS A 5 0.854 24.117 -34.682 1.00 27.68 C ATOM 51 C HIS A 5 1.419 25.506 -34.952 1.00 27.14 C ATOM 52 O HIS A 5 0.946 26.215 -35.839 1.00 26.86 O ATOM 53 CB HIS A 5 0.860 23.283 -35.972 1.00 27.51 C ATOM 54 CG HIS A 5 2.219 23.114 -36.592 1.00 27.78 C ATOM 55 ND1 HIS A 5 2.659 23.863 -37.662 1.00 27.73 N ATOM 56 CD2 HIS A 5 3.232 22.265 -36.292 1.00 28.20 C ATOM 57 CE1 HIS A 5 3.878 23.483 -37.993 1.00 28.10 C ATOM 58 NE2 HIS A 5 4.250 22.516 -37.177 1.00 28.39 N ATOM 0 H HIS A 5 -1.213 24.400 -34.858 1.00 28.34 H new ATOM 0 HA HIS A 5 1.480 23.616 -33.944 1.00 27.68 H new ATOM 0 HB2 HIS A 5 0.447 22.298 -35.756 1.00 27.51 H new ATOM 0 HB3 HIS A 5 0.198 23.754 -36.699 1.00 27.51 H new ATOM 0 HD2 HIS A 5 3.237 21.528 -35.503 1.00 28.20 H new ATOM 0 HE1 HIS A 5 4.471 23.894 -38.796 1.00 28.10 H new ATOM 0 HE2 HIS A 5 5.148 22.033 -37.200 1.00 28.39 H new ATOM 67 N HIS A 6 2.421 25.894 -34.181 1.00 27.11 N ATOM 68 CA HIS A 6 3.055 27.191 -34.360 1.00 26.72 C ATOM 69 C HIS A 6 4.423 27.021 -35.009 1.00 26.14 C ATOM 70 O HIS A 6 5.302 26.367 -34.451 1.00 26.08 O ATOM 71 CB HIS A 6 3.191 27.914 -33.015 1.00 27.14 C ATOM 72 CG HIS A 6 3.576 29.360 -33.136 1.00 27.63 C ATOM 73 ND1 HIS A 6 2.674 30.389 -32.983 1.00 27.73 N ATOM 74 CD2 HIS A 6 4.771 29.949 -33.391 1.00 28.14 C ATOM 75 CE1 HIS A 6 3.292 31.543 -33.142 1.00 28.29 C ATOM 76 NE2 HIS A 6 4.564 31.303 -33.389 1.00 28.54 N ATOM 0 H HIS A 6 2.813 25.331 -33.426 1.00 27.11 H new ATOM 0 HA HIS A 6 2.428 27.796 -35.014 1.00 26.72 H new ATOM 0 HB2 HIS A 6 2.244 27.844 -32.479 1.00 27.14 H new ATOM 0 HB3 HIS A 6 3.938 27.399 -32.411 1.00 27.14 H new ATOM 0 HD2 HIS A 6 5.710 29.445 -33.563 1.00 28.14 H new ATOM 0 HE1 HIS A 6 2.834 32.519 -33.080 1.00 28.29 H new ATOM 0 HE2 HIS A 6 5.279 32.012 -33.552 1.00 28.54 H new ATOM 85 N HIS A 7 4.588 27.597 -36.190 1.00 25.80 N ATOM 86 CA HIS A 7 5.867 27.552 -36.891 1.00 25.30 C ATOM 87 C HIS A 7 6.884 28.435 -36.172 1.00 24.72 C ATOM 88 O HIS A 7 6.601 29.593 -35.866 1.00 24.71 O ATOM 89 CB HIS A 7 5.691 28.007 -38.350 1.00 25.34 C ATOM 90 CG HIS A 7 6.948 27.949 -39.173 1.00 25.73 C ATOM 91 ND1 HIS A 7 7.305 26.854 -39.932 1.00 25.90 N ATOM 92 CD2 HIS A 7 7.928 28.866 -39.363 1.00 26.10 C ATOM 93 CE1 HIS A 7 8.444 27.102 -40.551 1.00 26.34 C ATOM 94 NE2 HIS A 7 8.844 28.315 -40.224 1.00 26.47 N ATOM 0 H HIS A 7 3.853 28.102 -36.685 1.00 25.80 H new ATOM 0 HA HIS A 7 6.235 26.526 -36.894 1.00 25.30 H new ATOM 0 HB2 HIS A 7 4.932 27.384 -38.823 1.00 25.34 H new ATOM 0 HB3 HIS A 7 5.314 29.030 -38.356 1.00 25.34 H new ATOM 0 HD2 HIS A 7 7.979 29.849 -38.919 1.00 26.10 H new ATOM 0 HE1 HIS A 7 8.962 26.425 -41.214 1.00 26.34 H new ATOM 0 HE2 HIS A 7 9.695 28.769 -40.556 1.00 26.47 H new ATOM 103 N HIS A 8 8.055 27.877 -35.897 1.00 24.34 N ATOM 104 CA HIS A 8 9.115 28.606 -35.209 1.00 23.83 C ATOM 105 C HIS A 8 9.642 29.714 -36.115 1.00 23.17 C ATOM 106 O HIS A 8 10.212 29.439 -37.172 1.00 23.09 O ATOM 107 CB HIS A 8 10.238 27.635 -34.814 1.00 23.99 C ATOM 108 CG HIS A 8 11.322 28.240 -33.970 1.00 24.04 C ATOM 109 ND1 HIS A 8 12.663 28.075 -34.241 1.00 24.18 N ATOM 110 CD2 HIS A 8 11.259 28.983 -32.840 1.00 24.09 C ATOM 111 CE1 HIS A 8 13.375 28.689 -33.315 1.00 24.31 C ATOM 112 NE2 HIS A 8 12.550 29.249 -32.452 1.00 24.25 N ATOM 0 H HIS A 8 8.297 26.917 -36.141 1.00 24.34 H new ATOM 0 HA HIS A 8 8.722 29.062 -34.300 1.00 23.83 H new ATOM 0 HB2 HIS A 8 9.801 26.796 -34.273 1.00 23.99 H new ATOM 0 HB3 HIS A 8 10.686 27.230 -35.722 1.00 23.99 H new ATOM 0 HD2 HIS A 8 10.360 29.307 -32.337 1.00 24.09 H new ATOM 0 HE1 HIS A 8 14.453 28.727 -33.271 1.00 24.31 H new ATOM 0 HE2 HIS A 8 12.825 29.790 -31.632 1.00 24.25 H new ATOM 121 N HIS A 9 9.439 30.961 -35.701 1.00 22.79 N ATOM 122 CA HIS A 9 9.782 32.121 -36.522 1.00 22.26 C ATOM 123 C HIS A 9 11.284 32.413 -36.472 1.00 21.56 C ATOM 124 O HIS A 9 11.713 33.530 -36.182 1.00 21.72 O ATOM 125 CB HIS A 9 8.975 33.344 -36.065 1.00 22.51 C ATOM 126 CG HIS A 9 9.063 34.514 -37.001 1.00 22.98 C ATOM 127 ND1 HIS A 9 9.651 35.712 -36.659 1.00 23.33 N ATOM 128 CD2 HIS A 9 8.635 34.660 -38.276 1.00 23.25 C ATOM 129 CE1 HIS A 9 9.582 36.542 -37.683 1.00 23.80 C ATOM 130 NE2 HIS A 9 8.971 35.931 -38.678 1.00 23.76 N ATOM 0 H HIS A 9 9.035 31.197 -34.794 1.00 22.79 H new ATOM 0 HA HIS A 9 9.526 31.896 -37.557 1.00 22.26 H new ATOM 0 HB2 HIS A 9 7.929 33.057 -35.955 1.00 22.51 H new ATOM 0 HB3 HIS A 9 9.326 33.652 -35.080 1.00 22.51 H new ATOM 0 HD2 HIS A 9 8.124 33.916 -38.869 1.00 23.25 H new ATOM 0 HE1 HIS A 9 9.963 37.553 -37.702 1.00 23.80 H new ATOM 0 HE2 HIS A 9 8.779 36.334 -39.595 1.00 23.76 H new ATOM 139 N HIS A 10 12.070 31.395 -36.766 1.00 20.90 N ATOM 140 CA HIS A 10 13.517 31.512 -36.837 1.00 20.28 C ATOM 141 C HIS A 10 14.079 30.230 -37.423 1.00 19.70 C ATOM 142 O HIS A 10 13.671 29.140 -37.021 1.00 19.62 O ATOM 143 CB HIS A 10 14.127 31.767 -35.450 1.00 20.26 C ATOM 144 CG HIS A 10 15.592 32.100 -35.487 1.00 20.06 C ATOM 145 ND1 HIS A 10 16.585 31.190 -35.189 1.00 19.78 N ATOM 146 CD2 HIS A 10 16.227 33.255 -35.790 1.00 20.24 C ATOM 147 CE1 HIS A 10 17.763 31.771 -35.308 1.00 19.80 C ATOM 148 NE2 HIS A 10 17.574 33.023 -35.672 1.00 20.08 N ATOM 0 H HIS A 10 11.722 30.457 -36.964 1.00 20.90 H new ATOM 0 HA HIS A 10 13.772 32.362 -37.470 1.00 20.28 H new ATOM 0 HB2 HIS A 10 13.589 32.585 -34.971 1.00 20.26 H new ATOM 0 HB3 HIS A 10 13.980 30.883 -34.830 1.00 20.26 H new ATOM 0 HD2 HIS A 10 15.760 34.187 -36.072 1.00 20.24 H new ATOM 0 HE1 HIS A 10 18.720 31.300 -35.136 1.00 19.80 H new ATOM 0 HE2 HIS A 10 18.310 33.709 -35.839 1.00 20.08 H new ATOM 157 N SER A 11 14.987 30.364 -38.379 1.00 19.43 N ATOM 158 CA SER A 11 15.598 29.211 -39.025 1.00 19.01 C ATOM 159 C SER A 11 16.264 28.291 -38.000 1.00 18.01 C ATOM 160 O SER A 11 17.279 28.640 -37.394 1.00 18.01 O ATOM 161 CB SER A 11 16.616 29.671 -40.068 1.00 19.28 C ATOM 162 OG SER A 11 15.990 30.445 -41.081 1.00 19.89 O ATOM 0 H SER A 11 15.318 31.264 -38.726 1.00 19.43 H new ATOM 0 HA SER A 11 14.811 28.644 -39.523 1.00 19.01 H new ATOM 0 HB2 SER A 11 17.396 30.259 -39.585 1.00 19.28 H new ATOM 0 HB3 SER A 11 17.101 28.804 -40.515 1.00 19.28 H new ATOM 0 HG SER A 11 16.661 30.730 -41.736 1.00 19.89 H new ATOM 168 N SER A 12 15.665 27.126 -37.805 1.00 17.26 N ATOM 169 CA SER A 12 16.170 26.140 -36.864 1.00 16.34 C ATOM 170 C SER A 12 16.169 24.758 -37.506 1.00 16.15 C ATOM 171 O SER A 12 15.717 23.775 -36.915 1.00 16.20 O ATOM 172 CB SER A 12 15.312 26.154 -35.596 1.00 15.87 C ATOM 173 OG SER A 12 13.925 26.161 -35.913 1.00 15.96 O ATOM 0 H SER A 12 14.817 26.839 -38.294 1.00 17.26 H new ATOM 0 HA SER A 12 17.196 26.388 -36.592 1.00 16.34 H new ATOM 0 HB2 SER A 12 15.544 25.280 -34.987 1.00 15.87 H new ATOM 0 HB3 SER A 12 15.556 27.033 -34.999 1.00 15.87 H new ATOM 0 HG SER A 12 13.430 26.623 -35.205 1.00 15.96 H new ATOM 179 N GLY A 13 16.712 24.689 -38.713 1.00 16.12 N ATOM 180 CA GLY A 13 16.702 23.453 -39.468 1.00 16.13 C ATOM 181 C GLY A 13 17.858 22.543 -39.105 1.00 16.30 C ATOM 182 O GLY A 13 18.258 21.696 -39.897 1.00 16.67 O ATOM 0 H GLY A 13 17.162 25.473 -39.185 1.00 16.12 H new ATOM 0 HA2 GLY A 13 15.762 22.930 -39.291 1.00 16.13 H new ATOM 0 HA3 GLY A 13 16.744 23.681 -40.533 1.00 16.13 H new ATOM 186 N ARG A 14 18.389 22.718 -37.905 1.00 16.15 N ATOM 187 CA ARG A 14 19.500 21.904 -37.438 1.00 16.46 C ATOM 188 C ARG A 14 18.988 20.846 -36.472 1.00 15.51 C ATOM 189 O ARG A 14 19.261 19.654 -36.613 1.00 15.72 O ATOM 190 CB ARG A 14 20.528 22.776 -36.713 1.00 17.13 C ATOM 191 CG ARG A 14 20.839 24.088 -37.410 1.00 17.25 C ATOM 192 CD ARG A 14 21.691 24.982 -36.526 1.00 17.95 C ATOM 193 NE ARG A 14 21.087 25.165 -35.205 1.00 18.07 N ATOM 194 CZ ARG A 14 21.736 25.652 -34.146 1.00 18.64 C ATOM 195 NH1 ARG A 14 22.992 26.056 -34.253 1.00 19.13 N ATOM 196 NH2 ARG A 14 21.124 25.727 -32.974 1.00 18.84 N ATOM 0 H ARG A 14 18.068 23.418 -37.236 1.00 16.15 H new ATOM 0 HA ARG A 14 19.969 21.429 -38.300 1.00 16.46 H new ATOM 0 HB2 ARG A 14 20.162 22.990 -35.709 1.00 17.13 H new ATOM 0 HB3 ARG A 14 21.453 22.210 -36.601 1.00 17.13 H new ATOM 0 HG2 ARG A 14 21.361 23.892 -38.347 1.00 17.25 H new ATOM 0 HG3 ARG A 14 19.910 24.599 -37.663 1.00 17.25 H new ATOM 0 HD2 ARG A 14 22.684 24.546 -36.416 1.00 17.95 H new ATOM 0 HD3 ARG A 14 21.820 25.952 -37.005 1.00 17.95 H new ATOM 0 HE ARG A 14 20.108 24.904 -35.087 1.00 18.07 H new ATOM 0 HH11 ARG A 14 23.472 25.996 -35.151 1.00 19.13 H new ATOM 0 HH12 ARG A 14 23.480 26.427 -33.438 1.00 19.13 H new ATOM 0 HH21 ARG A 14 20.158 25.413 -32.882 1.00 18.84 H new ATOM 0 HH22 ARG A 14 21.619 26.099 -32.163 1.00 18.84 H new ATOM 210 N GLU A 15 18.224 21.309 -35.498 1.00 14.57 N ATOM 211 CA GLU A 15 17.745 20.472 -34.411 1.00 13.69 C ATOM 212 C GLU A 15 16.321 19.978 -34.654 1.00 12.97 C ATOM 213 O GLU A 15 15.879 19.017 -34.024 1.00 12.15 O ATOM 214 CB GLU A 15 17.814 21.241 -33.081 1.00 13.29 C ATOM 215 CG GLU A 15 17.179 22.632 -33.111 1.00 13.12 C ATOM 216 CD GLU A 15 18.060 23.678 -33.775 1.00 13.58 C ATOM 217 OE1 GLU A 15 18.888 24.295 -33.073 1.00 14.07 O ATOM 218 OE2 GLU A 15 17.939 23.875 -35.002 1.00 13.59 O ATOM 0 H GLU A 15 17.917 22.280 -35.438 1.00 14.57 H new ATOM 0 HA GLU A 15 18.394 19.597 -34.362 1.00 13.69 H new ATOM 0 HB2 GLU A 15 17.322 20.649 -32.309 1.00 13.29 H new ATOM 0 HB3 GLU A 15 18.859 21.340 -32.789 1.00 13.29 H new ATOM 0 HG2 GLU A 15 16.228 22.579 -33.640 1.00 13.12 H new ATOM 0 HG3 GLU A 15 16.959 22.946 -32.091 1.00 13.12 H new ATOM 225 N ASN A 16 15.611 20.614 -35.584 1.00 13.44 N ATOM 226 CA ASN A 16 14.201 20.283 -35.823 1.00 13.06 C ATOM 227 C ASN A 16 14.038 18.949 -36.560 1.00 13.07 C ATOM 228 O ASN A 16 12.939 18.591 -36.973 1.00 12.89 O ATOM 229 CB ASN A 16 13.490 21.414 -36.592 1.00 13.83 C ATOM 230 CG ASN A 16 13.772 21.441 -38.092 1.00 14.84 C ATOM 231 OD1 ASN A 16 14.944 20.986 -38.508 1.00 15.24 O flip ATOM 232 ND2 ASN A 16 12.932 21.881 -38.875 1.00 15.40 N flip ATOM 0 H ASN A 16 15.981 21.354 -36.180 1.00 13.44 H new ATOM 0 HA ASN A 16 13.731 20.177 -34.845 1.00 13.06 H new ATOM 0 HB2 ASN A 16 12.415 21.318 -36.440 1.00 13.83 H new ATOM 0 HB3 ASN A 16 13.789 22.370 -36.163 1.00 13.83 H new ATOM 0 HD21 ASN A 16 12.038 22.224 -38.524 1.00 15.40 H new ATOM 0 HD22 ASN A 16 13.129 21.902 -39.876 1.00 15.40 H new ATOM 239 N LEU A 17 15.135 18.213 -36.712 1.00 13.46 N ATOM 240 CA LEU A 17 15.087 16.890 -37.329 1.00 13.68 C ATOM 241 C LEU A 17 14.658 15.849 -36.304 1.00 12.77 C ATOM 242 O LEU A 17 14.362 14.704 -36.645 1.00 12.88 O ATOM 243 CB LEU A 17 16.449 16.497 -37.920 1.00 14.64 C ATOM 244 CG LEU A 17 16.823 17.161 -39.252 1.00 15.73 C ATOM 245 CD1 LEU A 17 17.165 18.628 -39.057 1.00 16.13 C ATOM 246 CD2 LEU A 17 17.984 16.424 -39.900 1.00 16.35 C ATOM 0 H LEU A 17 16.066 18.508 -36.418 1.00 13.46 H new ATOM 0 HA LEU A 17 14.359 16.929 -38.140 1.00 13.68 H new ATOM 0 HB2 LEU A 17 17.222 16.735 -37.189 1.00 14.64 H new ATOM 0 HB3 LEU A 17 16.464 15.416 -38.059 1.00 14.64 H new ATOM 0 HG LEU A 17 15.958 17.105 -39.913 1.00 15.73 H new ATOM 0 HD11 LEU A 17 17.426 19.072 -40.018 1.00 16.13 H new ATOM 0 HD12 LEU A 17 16.304 19.150 -38.638 1.00 16.13 H new ATOM 0 HD13 LEU A 17 18.010 18.717 -38.375 1.00 16.13 H new ATOM 0 HD21 LEU A 17 18.239 16.905 -40.844 1.00 16.35 H new ATOM 0 HD22 LEU A 17 18.847 16.449 -39.235 1.00 16.35 H new ATOM 0 HD23 LEU A 17 17.699 15.388 -40.086 1.00 16.35 H new ATOM 258 N TYR A 18 14.632 16.254 -35.043 1.00 12.00 N ATOM 259 CA TYR A 18 14.245 15.365 -33.965 1.00 11.22 C ATOM 260 C TYR A 18 12.864 15.738 -33.446 1.00 10.27 C ATOM 261 O TYR A 18 12.617 16.889 -33.093 1.00 9.92 O ATOM 262 CB TYR A 18 15.267 15.423 -32.828 1.00 11.19 C ATOM 263 CG TYR A 18 16.659 14.991 -33.235 1.00 12.23 C ATOM 264 CD1 TYR A 18 17.004 13.647 -33.273 1.00 12.64 C ATOM 265 CD2 TYR A 18 17.629 15.928 -33.572 1.00 12.95 C ATOM 266 CE1 TYR A 18 18.276 13.246 -33.640 1.00 13.68 C ATOM 267 CE2 TYR A 18 18.902 15.535 -33.942 1.00 13.98 C ATOM 268 CZ TYR A 18 19.220 14.193 -33.971 1.00 14.32 C ATOM 269 OH TYR A 18 20.489 13.797 -34.336 1.00 15.41 O ATOM 0 H TYR A 18 14.876 17.198 -34.743 1.00 12.00 H new ATOM 0 HA TYR A 18 14.214 14.347 -34.352 1.00 11.22 H new ATOM 0 HB2 TYR A 18 15.311 16.442 -32.443 1.00 11.19 H new ATOM 0 HB3 TYR A 18 14.924 14.788 -32.011 1.00 11.19 H new ATOM 0 HD1 TYR A 18 16.267 12.902 -33.012 1.00 12.64 H new ATOM 0 HD2 TYR A 18 17.384 16.980 -33.544 1.00 12.95 H new ATOM 0 HE1 TYR A 18 18.528 12.196 -33.667 1.00 13.68 H new ATOM 0 HE2 TYR A 18 19.643 16.275 -34.207 1.00 13.98 H new ATOM 0 HH TYR A 18 21.032 14.587 -34.539 1.00 15.41 H new ATOM 279 N PHE A 19 11.979 14.751 -33.384 1.00 10.05 N ATOM 280 CA PHE A 19 10.604 14.958 -32.924 1.00 9.38 C ATOM 281 C PHE A 19 10.525 15.074 -31.396 1.00 8.44 C ATOM 282 O PHE A 19 9.538 14.663 -30.779 1.00 7.95 O ATOM 283 CB PHE A 19 9.716 13.806 -33.416 1.00 9.94 C ATOM 284 CG PHE A 19 10.324 12.440 -33.228 1.00 10.27 C ATOM 285 CD1 PHE A 19 10.624 11.963 -31.962 1.00 10.88 C ATOM 286 CD2 PHE A 19 10.595 11.634 -34.323 1.00 10.22 C ATOM 287 CE1 PHE A 19 11.183 10.715 -31.790 1.00 11.39 C ATOM 288 CE2 PHE A 19 11.153 10.381 -34.156 1.00 10.77 C ATOM 289 CZ PHE A 19 11.448 9.922 -32.889 1.00 11.34 C ATOM 0 H PHE A 19 12.188 13.788 -33.649 1.00 10.05 H new ATOM 0 HA PHE A 19 10.247 15.900 -33.341 1.00 9.38 H new ATOM 0 HB2 PHE A 19 8.763 13.844 -32.888 1.00 9.94 H new ATOM 0 HB3 PHE A 19 9.500 13.954 -34.474 1.00 9.94 H new ATOM 0 HD1 PHE A 19 10.417 12.578 -31.098 1.00 10.88 H new ATOM 0 HD2 PHE A 19 10.368 11.989 -35.317 1.00 10.22 H new ATOM 0 HE1 PHE A 19 11.413 10.358 -30.797 1.00 11.39 H new ATOM 0 HE2 PHE A 19 11.358 9.762 -35.017 1.00 10.77 H new ATOM 0 HZ PHE A 19 11.886 8.944 -32.757 1.00 11.34 H new ATOM 299 N GLN A 20 11.562 15.641 -30.795 1.00 8.42 N ATOM 300 CA GLN A 20 11.613 15.822 -29.350 1.00 7.85 C ATOM 301 C GLN A 20 10.578 16.843 -28.899 1.00 7.07 C ATOM 302 O GLN A 20 10.714 18.035 -29.163 1.00 7.05 O ATOM 303 CB GLN A 20 13.008 16.273 -28.912 1.00 8.59 C ATOM 304 CG GLN A 20 14.108 15.269 -29.220 1.00 9.58 C ATOM 305 CD GLN A 20 13.852 13.914 -28.592 1.00 10.21 C ATOM 306 OE1 GLN A 20 14.241 13.661 -27.453 1.00 10.77 O ATOM 307 NE2 GLN A 20 13.199 13.031 -29.331 1.00 10.35 N ATOM 0 H GLN A 20 12.385 15.986 -31.289 1.00 8.42 H new ATOM 0 HA GLN A 20 11.389 14.863 -28.884 1.00 7.85 H new ATOM 0 HB2 GLN A 20 13.244 17.217 -29.403 1.00 8.59 H new ATOM 0 HB3 GLN A 20 12.996 16.466 -27.839 1.00 8.59 H new ATOM 0 HG2 GLN A 20 14.198 15.154 -30.300 1.00 9.58 H new ATOM 0 HG3 GLN A 20 15.061 15.658 -28.861 1.00 9.58 H new ATOM 0 HE21 GLN A 20 12.893 13.280 -30.272 1.00 10.35 H new ATOM 0 HE22 GLN A 20 13.002 12.102 -28.960 1.00 10.35 H new ATOM 316 N GLY A 21 9.543 16.365 -28.229 1.00 6.73 N ATOM 317 CA GLY A 21 8.506 17.247 -27.744 1.00 6.33 C ATOM 318 C GLY A 21 7.986 16.813 -26.394 1.00 5.42 C ATOM 319 O GLY A 21 8.649 16.055 -25.680 1.00 5.50 O ATOM 0 H GLY A 21 9.403 15.378 -28.012 1.00 6.73 H new ATOM 0 HA2 GLY A 21 8.896 18.262 -27.674 1.00 6.33 H new ATOM 0 HA3 GLY A 21 7.684 17.270 -28.460 1.00 6.33 H new ATOM 323 N HIS A 22 6.796 17.272 -26.055 1.00 4.89 N ATOM 324 CA HIS A 22 6.189 16.959 -24.770 1.00 4.23 C ATOM 325 C HIS A 22 5.059 15.953 -24.963 1.00 3.24 C ATOM 326 O HIS A 22 4.506 15.847 -26.060 1.00 3.42 O ATOM 327 CB HIS A 22 5.661 18.248 -24.128 1.00 4.82 C ATOM 328 CG HIS A 22 5.230 18.099 -22.699 1.00 5.13 C ATOM 329 ND1 HIS A 22 6.108 18.174 -21.641 1.00 5.51 N ATOM 330 CD2 HIS A 22 4.007 17.896 -22.155 1.00 5.53 C ATOM 331 CE1 HIS A 22 5.446 18.025 -20.511 1.00 6.05 C ATOM 332 NE2 HIS A 22 4.169 17.856 -20.795 1.00 6.08 N ATOM 0 H HIS A 22 6.225 17.867 -26.655 1.00 4.89 H new ATOM 0 HA HIS A 22 6.935 16.517 -24.110 1.00 4.23 H new ATOM 0 HB2 HIS A 22 6.438 19.011 -24.182 1.00 4.82 H new ATOM 0 HB3 HIS A 22 4.816 18.611 -24.713 1.00 4.82 H new ATOM 0 HD2 HIS A 22 3.077 17.786 -22.693 1.00 5.53 H new ATOM 0 HE1 HIS A 22 5.876 18.039 -19.520 1.00 6.05 H new ATOM 0 HE2 HIS A 22 3.423 17.718 -20.113 1.00 6.08 H new ATOM 341 N MET A 23 4.746 15.198 -23.912 1.00 2.70 N ATOM 342 CA MET A 23 3.616 14.272 -23.932 1.00 2.18 C ATOM 343 C MET A 23 2.315 15.009 -24.236 1.00 1.83 C ATOM 344 O MET A 23 1.738 15.668 -23.368 1.00 2.36 O ATOM 345 CB MET A 23 3.493 13.532 -22.596 1.00 2.61 C ATOM 346 CG MET A 23 4.549 12.460 -22.383 1.00 2.99 C ATOM 347 SD MET A 23 4.423 11.116 -23.578 1.00 3.68 S ATOM 348 CE MET A 23 5.732 10.036 -23.011 1.00 4.41 C ATOM 0 H MET A 23 5.262 15.210 -23.032 1.00 2.70 H new ATOM 0 HA MET A 23 3.799 13.543 -24.721 1.00 2.18 H new ATOM 0 HB2 MET A 23 3.557 14.256 -21.784 1.00 2.61 H new ATOM 0 HB3 MET A 23 2.506 13.072 -22.537 1.00 2.61 H new ATOM 0 HG2 MET A 23 5.539 12.911 -22.452 1.00 2.99 H new ATOM 0 HG3 MET A 23 4.453 12.056 -21.375 1.00 2.99 H new ATOM 0 HE1 MET A 23 5.781 9.156 -23.652 1.00 4.41 H new ATOM 0 HE2 MET A 23 6.684 10.566 -23.050 1.00 4.41 H new ATOM 0 HE3 MET A 23 5.530 9.727 -21.985 1.00 4.41 H new ATOM 358 N CYS A 24 1.885 14.919 -25.482 1.00 1.24 N ATOM 359 CA CYS A 24 0.656 15.546 -25.931 1.00 0.95 C ATOM 360 C CYS A 24 0.006 14.685 -27.004 1.00 0.84 C ATOM 361 O CYS A 24 0.679 13.861 -27.632 1.00 0.77 O ATOM 362 CB CYS A 24 0.937 16.946 -26.488 1.00 0.99 C ATOM 363 SG CYS A 24 1.671 18.093 -25.298 1.00 1.71 S ATOM 0 H CYS A 24 2.380 14.407 -26.212 1.00 1.24 H new ATOM 0 HA CYS A 24 -0.020 15.641 -25.081 1.00 0.95 H new ATOM 0 HB2 CYS A 24 1.604 16.855 -27.345 1.00 0.99 H new ATOM 0 HB3 CYS A 24 0.003 17.371 -26.855 1.00 0.99 H new ATOM 0 HG CYS A 24 1.774 17.510 -24.140 1.00 1.71 H new ATOM 369 N ILE A 25 -1.291 14.890 -27.222 1.00 0.89 N ATOM 370 CA ILE A 25 -2.048 14.127 -28.211 1.00 0.88 C ATOM 371 C ILE A 25 -1.397 14.206 -29.597 1.00 0.74 C ATOM 372 O ILE A 25 -1.448 13.251 -30.369 1.00 0.71 O ATOM 373 CB ILE A 25 -3.519 14.612 -28.282 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.349 13.716 -29.205 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.596 16.064 -28.739 1.00 1.09 C ATOM 376 CD1 ILE A 25 -4.495 12.295 -28.698 1.00 1.37 C ATOM 0 H ILE A 25 -1.844 15.586 -26.721 1.00 0.89 H new ATOM 0 HA ILE A 25 -2.041 13.085 -27.891 1.00 0.88 H new ATOM 0 HB ILE A 25 -3.936 14.548 -27.277 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -5.340 14.153 -29.328 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.885 13.696 -30.191 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.639 16.378 -28.780 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -3.054 16.696 -28.035 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -3.150 16.158 -29.729 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -5.095 11.717 -29.402 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -3.509 11.840 -28.602 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -4.986 12.305 -27.725 1.00 1.37 H new ATOM 388 N GLN A 26 -0.756 15.336 -29.891 1.00 0.69 N ATOM 389 CA GLN A 26 -0.074 15.523 -31.167 1.00 0.64 C ATOM 390 C GLN A 26 0.996 14.458 -31.375 1.00 0.56 C ATOM 391 O GLN A 26 1.043 13.814 -32.421 1.00 0.59 O ATOM 392 CB GLN A 26 0.561 16.915 -31.242 1.00 0.70 C ATOM 393 CG GLN A 26 1.472 17.102 -32.449 1.00 0.80 C ATOM 394 CD GLN A 26 2.095 18.481 -32.510 1.00 1.23 C ATOM 395 OE1 GLN A 26 2.292 19.134 -31.488 1.00 1.75 O ATOM 396 NE2 GLN A 26 2.427 18.926 -33.711 1.00 1.54 N ATOM 0 H GLN A 26 -0.696 16.136 -29.261 1.00 0.69 H new ATOM 0 HA GLN A 26 -0.819 15.429 -31.958 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -0.229 17.665 -31.273 1.00 0.70 H new ATOM 0 HB3 GLN A 26 1.134 17.094 -30.332 1.00 0.70 H new ATOM 0 HG2 GLN A 26 2.263 16.353 -32.420 1.00 0.80 H new ATOM 0 HG3 GLN A 26 0.900 16.927 -33.360 1.00 0.80 H new ATOM 0 HE21 GLN A 26 2.246 18.353 -34.535 1.00 1.54 H new ATOM 0 HE22 GLN A 26 2.863 19.842 -33.813 1.00 1.54 H new ATOM 405 N LYS A 27 1.838 14.259 -30.366 1.00 0.56 N ATOM 406 CA LYS A 27 2.938 13.313 -30.478 1.00 0.60 C ATOM 407 C LYS A 27 2.436 11.878 -30.486 1.00 0.58 C ATOM 408 O LYS A 27 3.084 11.002 -31.046 1.00 0.58 O ATOM 409 CB LYS A 27 3.966 13.500 -29.357 1.00 0.75 C ATOM 410 CG LYS A 27 4.808 14.767 -29.477 1.00 1.27 C ATOM 411 CD LYS A 27 5.378 14.954 -30.883 1.00 1.53 C ATOM 412 CE LYS A 27 6.010 13.679 -31.435 1.00 1.93 C ATOM 413 NZ LYS A 27 7.175 13.216 -30.637 1.00 2.50 N ATOM 0 H LYS A 27 1.779 14.738 -29.467 1.00 0.56 H new ATOM 0 HA LYS A 27 3.430 13.516 -31.429 1.00 0.60 H new ATOM 0 HB2 LYS A 27 3.443 13.515 -28.401 1.00 0.75 H new ATOM 0 HB3 LYS A 27 4.631 12.637 -29.343 1.00 0.75 H new ATOM 0 HG2 LYS A 27 4.198 15.632 -29.217 1.00 1.27 H new ATOM 0 HG3 LYS A 27 5.626 14.726 -28.758 1.00 1.27 H new ATOM 0 HD2 LYS A 27 4.583 15.280 -31.553 1.00 1.53 H new ATOM 0 HD3 LYS A 27 6.125 15.747 -30.865 1.00 1.53 H new ATOM 0 HE2 LYS A 27 5.259 12.890 -31.462 1.00 1.93 H new ATOM 0 HE3 LYS A 27 6.327 13.853 -32.463 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 7.446 12.259 -30.941 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 7.975 13.865 -30.782 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 6.921 13.200 -29.629 1.00 2.50 H new ATOM 427 N VAL A 28 1.289 11.642 -29.862 1.00 0.62 N ATOM 428 CA VAL A 28 0.681 10.316 -29.878 1.00 0.68 C ATOM 429 C VAL A 28 0.410 9.881 -31.317 1.00 0.62 C ATOM 430 O VAL A 28 0.866 8.823 -31.755 1.00 0.62 O ATOM 431 CB VAL A 28 -0.635 10.283 -29.071 1.00 0.77 C ATOM 432 CG1 VAL A 28 -1.268 8.898 -29.117 1.00 1.03 C ATOM 433 CG2 VAL A 28 -0.392 10.709 -27.632 1.00 1.04 C ATOM 0 H VAL A 28 0.764 12.345 -29.342 1.00 0.62 H new ATOM 0 HA VAL A 28 1.383 9.626 -29.410 1.00 0.68 H new ATOM 0 HB VAL A 28 -1.328 10.989 -29.528 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -2.193 8.902 -28.541 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -1.485 8.631 -30.151 1.00 1.03 H new ATOM 0 HG13 VAL A 28 -0.579 8.169 -28.692 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -1.331 10.679 -27.080 1.00 1.04 H new ATOM 0 HG22 VAL A 28 0.323 10.030 -27.168 1.00 1.04 H new ATOM 0 HG23 VAL A 28 0.006 11.723 -27.615 1.00 1.04 H new ATOM 443 N ILE A 29 -0.307 10.727 -32.047 1.00 0.60 N ATOM 444 CA ILE A 29 -0.618 10.469 -33.448 1.00 0.57 C ATOM 445 C ILE A 29 0.660 10.466 -34.289 1.00 0.52 C ATOM 446 O ILE A 29 0.907 9.537 -35.064 1.00 0.51 O ATOM 447 CB ILE A 29 -1.618 11.522 -34.015 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.054 11.229 -33.563 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.561 11.576 -35.537 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.293 11.366 -32.076 1.00 0.79 C ATOM 0 H ILE A 29 -0.686 11.604 -31.689 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.088 9.487 -33.503 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.318 12.492 -33.618 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.730 11.904 -34.089 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.315 10.215 -33.867 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.270 12.320 -35.901 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.554 11.848 -35.854 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -1.818 10.599 -35.946 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.336 11.140 -31.853 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.648 10.672 -31.538 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -3.068 12.386 -31.764 1.00 0.79 H new ATOM 462 N GLU A 30 1.481 11.497 -34.105 1.00 0.53 N ATOM 463 CA GLU A 30 2.688 11.676 -34.904 1.00 0.55 C ATOM 464 C GLU A 30 3.621 10.473 -34.784 1.00 0.55 C ATOM 465 O GLU A 30 4.014 9.885 -35.789 1.00 0.58 O ATOM 466 CB GLU A 30 3.428 12.937 -34.458 1.00 0.64 C ATOM 467 CG GLU A 30 4.587 13.319 -35.362 1.00 0.99 C ATOM 468 CD GLU A 30 5.484 14.370 -34.743 1.00 1.49 C ATOM 469 OE1 GLU A 30 5.034 15.523 -34.589 1.00 2.20 O ATOM 470 OE2 GLU A 30 6.635 14.040 -34.395 1.00 1.84 O ATOM 0 H GLU A 30 1.330 12.224 -33.406 1.00 0.53 H new ATOM 0 HA GLU A 30 2.384 11.773 -35.946 1.00 0.55 H new ATOM 0 HB2 GLU A 30 2.722 13.766 -34.418 1.00 0.64 H new ATOM 0 HB3 GLU A 30 3.803 12.788 -33.445 1.00 0.64 H new ATOM 0 HG2 GLU A 30 5.176 12.430 -35.587 1.00 0.99 H new ATOM 0 HG3 GLU A 30 4.197 13.691 -36.309 1.00 0.99 H new ATOM 477 N ASP A 31 3.937 10.087 -33.552 1.00 0.57 N ATOM 478 CA ASP A 31 4.887 9.004 -33.310 1.00 0.64 C ATOM 479 C ASP A 31 4.323 7.663 -33.759 1.00 0.57 C ATOM 480 O ASP A 31 5.070 6.788 -34.202 1.00 0.61 O ATOM 481 CB ASP A 31 5.278 8.932 -31.830 1.00 0.80 C ATOM 482 CG ASP A 31 6.677 9.461 -31.557 1.00 1.05 C ATOM 483 OD1 ASP A 31 7.650 8.696 -31.744 1.00 1.17 O ATOM 484 OD2 ASP A 31 6.812 10.629 -31.130 1.00 1.67 O ATOM 0 H ASP A 31 3.551 10.506 -32.706 1.00 0.57 H new ATOM 0 HA ASP A 31 5.779 9.221 -33.898 1.00 0.64 H new ATOM 0 HB2 ASP A 31 4.559 9.503 -31.242 1.00 0.80 H new ATOM 0 HB3 ASP A 31 5.215 7.897 -31.494 1.00 0.80 H new ATOM 489 N LYS A 32 3.008 7.502 -33.659 1.00 0.53 N ATOM 490 CA LYS A 32 2.373 6.240 -34.019 1.00 0.55 C ATOM 491 C LYS A 32 2.504 5.969 -35.517 1.00 0.48 C ATOM 492 O LYS A 32 3.033 4.929 -35.924 1.00 0.52 O ATOM 493 CB LYS A 32 0.899 6.246 -33.621 1.00 0.67 C ATOM 494 CG LYS A 32 0.208 4.906 -33.825 1.00 0.97 C ATOM 495 CD LYS A 32 -1.282 4.999 -33.546 1.00 1.09 C ATOM 496 CE LYS A 32 -1.560 5.493 -32.135 1.00 1.51 C ATOM 497 NZ LYS A 32 -3.008 5.719 -31.904 1.00 2.03 N ATOM 0 H LYS A 32 2.365 8.224 -33.334 1.00 0.53 H new ATOM 0 HA LYS A 32 2.883 5.445 -33.476 1.00 0.55 H new ATOM 0 HB2 LYS A 32 0.815 6.533 -32.573 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.377 7.007 -34.202 1.00 0.67 H new ATOM 0 HG2 LYS A 32 0.367 4.566 -34.848 1.00 0.97 H new ATOM 0 HG3 LYS A 32 0.656 4.161 -33.168 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -1.746 5.674 -34.266 1.00 1.09 H new ATOM 0 HD3 LYS A 32 -1.740 4.020 -33.686 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -1.187 4.765 -31.415 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -1.015 6.421 -31.961 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -3.171 5.923 -30.897 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -3.329 6.525 -32.478 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -3.540 4.867 -32.175 1.00 2.03 H new ATOM 511 N LEU A 33 2.046 6.906 -36.341 1.00 0.44 N ATOM 512 CA LEU A 33 2.124 6.732 -37.785 1.00 0.44 C ATOM 513 C LEU A 33 3.559 6.883 -38.290 1.00 0.46 C ATOM 514 O LEU A 33 3.911 6.346 -39.339 1.00 0.51 O ATOM 515 CB LEU A 33 1.161 7.689 -38.512 1.00 0.47 C ATOM 516 CG LEU A 33 1.276 9.179 -38.161 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.426 9.835 -38.907 1.00 0.57 C ATOM 518 CD2 LEU A 33 -0.032 9.890 -38.468 1.00 0.55 C ATOM 0 H LEU A 33 1.622 7.783 -36.038 1.00 0.44 H new ATOM 0 HA LEU A 33 1.809 5.714 -38.014 1.00 0.44 H new ATOM 0 HB2 LEU A 33 1.317 7.579 -39.585 1.00 0.47 H new ATOM 0 HB3 LEU A 33 0.140 7.368 -38.304 1.00 0.47 H new ATOM 0 HG LEU A 33 1.483 9.261 -37.094 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.481 10.890 -38.637 1.00 0.57 H new ATOM 0 HD12 LEU A 33 3.361 9.343 -38.639 1.00 0.57 H new ATOM 0 HD13 LEU A 33 2.262 9.744 -39.981 1.00 0.57 H new ATOM 0 HD21 LEU A 33 0.060 10.946 -38.215 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -0.261 9.789 -39.529 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -0.835 9.445 -37.880 1.00 0.55 H new ATOM 530 N SER A 34 4.392 7.594 -37.535 1.00 0.47 N ATOM 531 CA SER A 34 5.796 7.742 -37.893 1.00 0.53 C ATOM 532 C SER A 34 6.523 6.409 -37.731 1.00 0.54 C ATOM 533 O SER A 34 7.407 6.070 -38.512 1.00 0.59 O ATOM 534 CB SER A 34 6.466 8.821 -37.034 1.00 0.60 C ATOM 535 OG SER A 34 7.778 9.100 -37.487 1.00 1.29 O ATOM 0 H SER A 34 4.120 8.073 -36.677 1.00 0.47 H new ATOM 0 HA SER A 34 5.854 8.052 -38.936 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.869 9.732 -37.060 1.00 0.60 H new ATOM 0 HB3 SER A 34 6.500 8.492 -35.995 1.00 0.60 H new ATOM 0 HG SER A 34 8.179 9.792 -36.921 1.00 1.29 H new ATOM 541 N SER A 35 6.139 5.653 -36.714 1.00 0.55 N ATOM 542 CA SER A 35 6.713 4.335 -36.492 1.00 0.62 C ATOM 543 C SER A 35 6.221 3.344 -37.546 1.00 0.59 C ATOM 544 O SER A 35 7.015 2.642 -38.169 1.00 0.65 O ATOM 545 CB SER A 35 6.360 3.839 -35.088 1.00 0.72 C ATOM 546 OG SER A 35 6.819 4.747 -34.095 1.00 0.78 O ATOM 0 H SER A 35 5.434 5.929 -36.031 1.00 0.55 H new ATOM 0 HA SER A 35 7.797 4.411 -36.578 1.00 0.62 H new ATOM 0 HB2 SER A 35 5.280 3.717 -35.003 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.806 2.858 -34.922 1.00 0.72 H new ATOM 0 HG SER A 35 6.095 5.362 -33.854 1.00 0.78 H new ATOM 552 N ALA A 36 4.908 3.313 -37.760 1.00 0.54 N ATOM 553 CA ALA A 36 4.296 2.319 -38.636 1.00 0.57 C ATOM 554 C ALA A 36 4.540 2.611 -40.118 1.00 0.51 C ATOM 555 O ALA A 36 5.044 1.758 -40.847 1.00 0.52 O ATOM 556 CB ALA A 36 2.804 2.231 -38.359 1.00 0.64 C ATOM 0 H ALA A 36 4.247 3.966 -37.338 1.00 0.54 H new ATOM 0 HA ALA A 36 4.770 1.362 -38.417 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.355 1.487 -39.017 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.643 1.941 -37.321 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.342 3.202 -38.541 1.00 0.64 H new ATOM 562 N LEU A 37 4.180 3.811 -40.561 1.00 0.50 N ATOM 563 CA LEU A 37 4.320 4.174 -41.970 1.00 0.53 C ATOM 564 C LEU A 37 5.756 4.579 -42.270 1.00 0.52 C ATOM 565 O LEU A 37 6.261 4.351 -43.368 1.00 0.62 O ATOM 566 CB LEU A 37 3.362 5.317 -42.326 1.00 0.57 C ATOM 567 CG LEU A 37 1.878 5.020 -42.092 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.031 6.244 -42.408 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.428 3.832 -42.931 1.00 0.94 C ATOM 0 H LEU A 37 3.791 4.546 -39.970 1.00 0.50 H new ATOM 0 HA LEU A 37 4.066 3.306 -42.578 1.00 0.53 H new ATOM 0 HB2 LEU A 37 3.637 6.195 -41.742 1.00 0.57 H new ATOM 0 HB3 LEU A 37 3.504 5.575 -43.376 1.00 0.57 H new ATOM 0 HG LEU A 37 1.743 4.768 -41.040 1.00 0.70 H new ATOM 0 HD11 LEU A 37 -0.020 6.013 -42.236 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.331 7.070 -41.764 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.174 6.526 -43.451 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.371 3.638 -42.750 1.00 0.94 H new ATOM 0 HD22 LEU A 37 1.580 4.054 -43.987 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.010 2.952 -42.658 1.00 0.94 H new ATOM 581 N LYS A 38 6.387 5.190 -41.275 1.00 0.47 N ATOM 582 CA LYS A 38 7.799 5.557 -41.326 1.00 0.52 C ATOM 583 C LYS A 38 8.113 6.479 -42.505 1.00 0.47 C ATOM 584 O LYS A 38 8.570 6.038 -43.565 1.00 0.54 O ATOM 585 CB LYS A 38 8.675 4.303 -41.363 1.00 0.70 C ATOM 586 CG LYS A 38 10.115 4.556 -40.952 1.00 1.32 C ATOM 587 CD LYS A 38 10.883 3.255 -40.784 1.00 1.93 C ATOM 588 CE LYS A 38 10.217 2.335 -39.769 1.00 2.67 C ATOM 589 NZ LYS A 38 10.023 2.996 -38.450 1.00 3.36 N ATOM 0 H LYS A 38 5.929 5.448 -40.401 1.00 0.47 H new ATOM 0 HA LYS A 38 8.025 6.116 -40.418 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.245 3.549 -40.703 1.00 0.70 H new ATOM 0 HB3 LYS A 38 8.661 3.889 -42.371 1.00 0.70 H new ATOM 0 HG2 LYS A 38 10.606 5.175 -41.703 1.00 1.32 H new ATOM 0 HG3 LYS A 38 10.135 5.115 -40.016 1.00 1.32 H new ATOM 0 HD2 LYS A 38 10.952 2.746 -41.746 1.00 1.93 H new ATOM 0 HD3 LYS A 38 11.902 3.473 -40.464 1.00 1.93 H new ATOM 0 HE2 LYS A 38 9.251 2.010 -40.156 1.00 2.67 H new ATOM 0 HE3 LYS A 38 10.826 1.440 -39.639 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 10.342 2.359 -37.692 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 10.576 3.876 -38.418 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 9.015 3.215 -38.317 1.00 3.36 H new ATOM 603 N PRO A 39 7.841 7.778 -42.341 1.00 0.46 N ATOM 604 CA PRO A 39 8.116 8.782 -43.355 1.00 0.47 C ATOM 605 C PRO A 39 9.536 9.329 -43.254 1.00 0.51 C ATOM 606 O PRO A 39 10.105 9.418 -42.168 1.00 0.63 O ATOM 607 CB PRO A 39 7.090 9.887 -43.052 1.00 0.50 C ATOM 608 CG PRO A 39 6.431 9.511 -41.754 1.00 0.54 C ATOM 609 CD PRO A 39 7.229 8.382 -41.162 1.00 0.52 C ATOM 0 HA PRO A 39 8.038 8.377 -44.364 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.578 10.859 -42.973 1.00 0.50 H new ATOM 0 HB3 PRO A 39 6.355 9.964 -43.853 1.00 0.50 H new ATOM 0 HG2 PRO A 39 6.406 10.363 -41.074 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.398 9.206 -41.921 1.00 0.54 H new ATOM 0 HD2 PRO A 39 7.977 8.741 -40.455 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.596 7.675 -40.626 1.00 0.52 H new ATOM 617 N THR A 40 10.098 9.687 -44.395 1.00 0.52 N ATOM 618 CA THR A 40 11.409 10.299 -44.445 1.00 0.61 C ATOM 619 C THR A 40 11.290 11.797 -44.184 1.00 0.62 C ATOM 620 O THR A 40 12.245 12.455 -43.772 1.00 0.73 O ATOM 621 CB THR A 40 12.077 10.033 -45.804 1.00 0.67 C ATOM 622 OG1 THR A 40 11.085 9.605 -46.753 1.00 0.70 O ATOM 623 CG2 THR A 40 13.147 8.963 -45.675 1.00 0.71 C ATOM 0 H THR A 40 9.659 9.562 -45.307 1.00 0.52 H new ATOM 0 HA THR A 40 12.036 9.858 -43.670 1.00 0.61 H new ATOM 0 HB THR A 40 12.544 10.956 -46.148 1.00 0.67 H new ATOM 0 HG1 THR A 40 11.512 9.437 -47.619 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.607 8.790 -46.648 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.908 9.292 -44.967 1.00 0.71 H new ATOM 0 HG23 THR A 40 12.695 8.038 -45.318 1.00 0.71 H new ATOM 631 N PHE A 41 10.096 12.321 -44.430 1.00 0.54 N ATOM 632 CA PHE A 41 9.754 13.684 -44.061 1.00 0.55 C ATOM 633 C PHE A 41 8.313 13.722 -43.569 1.00 0.48 C ATOM 634 O PHE A 41 7.406 13.230 -44.244 1.00 0.45 O ATOM 635 CB PHE A 41 9.935 14.646 -45.241 1.00 0.57 C ATOM 636 CG PHE A 41 9.700 16.086 -44.871 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.736 16.864 -44.382 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.443 16.659 -45.006 1.00 0.62 C ATOM 639 CE1 PHE A 41 10.526 18.184 -44.032 1.00 0.76 C ATOM 640 CE2 PHE A 41 8.227 17.979 -44.658 1.00 0.70 C ATOM 641 CZ PHE A 41 9.269 18.742 -44.171 1.00 0.75 C ATOM 0 H PHE A 41 9.341 11.813 -44.890 1.00 0.54 H new ATOM 0 HA PHE A 41 10.426 14.008 -43.266 1.00 0.55 H new ATOM 0 HB2 PHE A 41 10.945 14.539 -45.637 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.248 14.366 -46.039 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.720 16.434 -44.273 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.624 16.067 -45.387 1.00 0.62 H new ATOM 0 HE1 PHE A 41 11.343 18.779 -43.650 1.00 0.76 H new ATOM 0 HE2 PHE A 41 7.244 18.413 -44.767 1.00 0.70 H new ATOM 0 HZ PHE A 41 9.102 19.774 -43.899 1.00 0.75 H new ATOM 651 N LEU A 42 8.109 14.285 -42.390 1.00 0.50 N ATOM 652 CA LEU A 42 6.782 14.371 -41.804 1.00 0.48 C ATOM 653 C LEU A 42 6.611 15.698 -41.078 1.00 0.54 C ATOM 654 O LEU A 42 7.500 16.121 -40.341 1.00 0.64 O ATOM 655 CB LEU A 42 6.562 13.210 -40.831 1.00 0.53 C ATOM 656 CG LEU A 42 5.185 13.158 -40.167 1.00 0.60 C ATOM 657 CD1 LEU A 42 4.104 12.844 -41.189 1.00 1.03 C ATOM 658 CD2 LEU A 42 5.180 12.132 -39.045 1.00 1.55 C ATOM 0 H LEU A 42 8.849 14.691 -41.818 1.00 0.50 H new ATOM 0 HA LEU A 42 6.042 14.310 -42.602 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.723 12.275 -41.367 1.00 0.53 H new ATOM 0 HB3 LEU A 42 7.321 13.265 -40.050 1.00 0.53 H new ATOM 0 HG LEU A 42 4.970 14.138 -39.741 1.00 0.60 H new ATOM 0 HD11 LEU A 42 3.133 12.812 -40.694 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.094 13.617 -41.957 1.00 1.03 H new ATOM 0 HD13 LEU A 42 4.308 11.877 -41.649 1.00 1.03 H new ATOM 0 HD21 LEU A 42 4.194 12.105 -38.581 1.00 1.55 H new ATOM 0 HD22 LEU A 42 5.417 11.148 -39.450 1.00 1.55 H new ATOM 0 HD23 LEU A 42 5.925 12.406 -38.298 1.00 1.55 H new ATOM 670 N GLU A 43 5.486 16.359 -41.306 1.00 0.57 N ATOM 671 CA GLU A 43 5.159 17.578 -40.577 1.00 0.69 C ATOM 672 C GLU A 43 3.650 17.723 -40.428 1.00 0.60 C ATOM 673 O GLU A 43 2.891 17.418 -41.351 1.00 0.53 O ATOM 674 CB GLU A 43 5.745 18.819 -41.267 1.00 0.82 C ATOM 675 CG GLU A 43 5.361 20.119 -40.571 1.00 1.00 C ATOM 676 CD GLU A 43 6.082 21.335 -41.109 1.00 1.62 C ATOM 677 OE1 GLU A 43 5.757 21.784 -42.229 1.00 2.19 O ATOM 678 OE2 GLU A 43 6.961 21.870 -40.399 1.00 2.23 O ATOM 0 H GLU A 43 4.784 16.073 -41.989 1.00 0.57 H new ATOM 0 HA GLU A 43 5.607 17.500 -39.586 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.831 18.734 -41.295 1.00 0.82 H new ATOM 0 HB3 GLU A 43 5.401 18.851 -42.301 1.00 0.82 H new ATOM 0 HG2 GLU A 43 4.286 20.271 -40.672 1.00 1.00 H new ATOM 0 HG3 GLU A 43 5.571 20.026 -39.505 1.00 1.00 H new ATOM 685 N LEU A 44 3.221 18.170 -39.255 1.00 0.67 N ATOM 686 CA LEU A 44 1.814 18.421 -39.002 1.00 0.65 C ATOM 687 C LEU A 44 1.473 19.848 -39.402 1.00 0.64 C ATOM 688 O LEU A 44 2.087 20.802 -38.923 1.00 0.77 O ATOM 689 CB LEU A 44 1.458 18.196 -37.521 1.00 0.82 C ATOM 690 CG LEU A 44 1.549 16.750 -37.005 1.00 0.97 C ATOM 691 CD1 LEU A 44 0.766 15.800 -37.896 1.00 1.27 C ATOM 692 CD2 LEU A 44 2.996 16.300 -36.886 1.00 1.72 C ATOM 0 H LEU A 44 3.833 18.366 -38.463 1.00 0.67 H new ATOM 0 HA LEU A 44 1.231 17.718 -39.597 1.00 0.65 H new ATOM 0 HB2 LEU A 44 2.117 18.817 -36.914 1.00 0.82 H new ATOM 0 HB3 LEU A 44 0.442 18.554 -37.356 1.00 0.82 H new ATOM 0 HG LEU A 44 1.104 16.728 -36.010 1.00 0.97 H new ATOM 0 HD11 LEU A 44 0.848 14.785 -37.507 1.00 1.27 H new ATOM 0 HD12 LEU A 44 -0.282 16.098 -37.913 1.00 1.27 H new ATOM 0 HD13 LEU A 44 1.170 15.834 -38.908 1.00 1.27 H new ATOM 0 HD21 LEU A 44 3.029 15.274 -36.519 1.00 1.72 H new ATOM 0 HD22 LEU A 44 3.475 16.351 -37.864 1.00 1.72 H new ATOM 0 HD23 LEU A 44 3.524 16.952 -36.190 1.00 1.72 H new ATOM 704 N VAL A 45 0.490 19.991 -40.265 1.00 0.57 N ATOM 705 CA VAL A 45 0.089 21.295 -40.753 1.00 0.63 C ATOM 706 C VAL A 45 -1.189 21.731 -40.058 1.00 0.60 C ATOM 707 O VAL A 45 -2.127 20.939 -39.890 1.00 0.56 O ATOM 708 CB VAL A 45 -0.121 21.294 -42.284 1.00 0.73 C ATOM 709 CG1 VAL A 45 -0.500 22.679 -42.786 1.00 1.08 C ATOM 710 CG2 VAL A 45 1.128 20.795 -42.992 1.00 0.90 C ATOM 0 H VAL A 45 -0.050 19.214 -40.646 1.00 0.57 H new ATOM 0 HA VAL A 45 0.891 21.998 -40.528 1.00 0.63 H new ATOM 0 HB VAL A 45 -0.944 20.617 -42.511 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -0.641 22.648 -43.866 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -1.426 22.999 -42.308 1.00 1.08 H new ATOM 0 HG13 VAL A 45 0.295 23.384 -42.544 1.00 1.08 H new ATOM 0 HG21 VAL A 45 0.962 20.801 -44.069 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.968 21.446 -42.750 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.351 19.779 -42.665 1.00 0.90 H new ATOM 720 N ASP A 46 -1.196 22.987 -39.641 1.00 0.76 N ATOM 721 CA ASP A 46 -2.267 23.536 -38.828 1.00 0.83 C ATOM 722 C ASP A 46 -3.554 23.663 -39.631 1.00 0.80 C ATOM 723 O ASP A 46 -3.688 24.546 -40.479 1.00 0.99 O ATOM 724 CB ASP A 46 -1.848 24.905 -38.292 1.00 1.16 C ATOM 725 CG ASP A 46 -2.699 25.356 -37.131 1.00 1.38 C ATOM 726 OD1 ASP A 46 -2.481 24.842 -36.013 1.00 1.83 O ATOM 727 OD2 ASP A 46 -3.576 26.226 -37.325 1.00 1.57 O ATOM 0 H ASP A 46 -0.457 23.655 -39.858 1.00 0.76 H new ATOM 0 HA ASP A 46 -2.455 22.857 -37.996 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -0.804 24.865 -37.980 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -1.913 25.641 -39.093 1.00 1.16 H new ATOM 732 N LYS A 47 -4.495 22.768 -39.377 1.00 0.81 N ATOM 733 CA LYS A 47 -5.767 22.799 -40.070 1.00 1.03 C ATOM 734 C LYS A 47 -6.792 23.554 -39.230 1.00 1.12 C ATOM 735 O LYS A 47 -7.712 22.966 -38.658 1.00 1.66 O ATOM 736 CB LYS A 47 -6.255 21.379 -40.383 1.00 1.36 C ATOM 737 CG LYS A 47 -7.486 21.336 -41.277 1.00 1.85 C ATOM 738 CD LYS A 47 -7.172 21.811 -42.688 1.00 2.14 C ATOM 739 CE LYS A 47 -6.377 20.773 -43.464 1.00 2.34 C ATOM 740 NZ LYS A 47 -6.068 21.226 -44.845 1.00 2.76 N ATOM 0 H LYS A 47 -4.400 22.014 -38.697 1.00 0.81 H new ATOM 0 HA LYS A 47 -5.638 23.319 -41.019 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -5.449 20.825 -40.864 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -6.479 20.867 -39.447 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -7.874 20.318 -41.313 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -8.269 21.961 -40.848 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -8.101 22.027 -43.215 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -6.608 22.742 -42.642 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -5.448 20.559 -42.936 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -6.941 19.841 -43.506 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -5.525 20.489 -45.339 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -6.955 21.405 -45.358 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -5.507 22.101 -44.806 1.00 2.76 H new ATOM 754 N SER A 48 -6.605 24.865 -39.141 1.00 1.40 N ATOM 755 CA SER A 48 -7.518 25.722 -38.399 1.00 1.68 C ATOM 756 C SER A 48 -8.860 25.816 -39.122 1.00 1.52 C ATOM 757 O SER A 48 -9.865 26.235 -38.542 1.00 1.97 O ATOM 758 CB SER A 48 -6.904 27.114 -38.210 1.00 2.50 C ATOM 759 OG SER A 48 -7.724 27.936 -37.392 1.00 3.20 O ATOM 0 H SER A 48 -5.825 25.359 -39.576 1.00 1.40 H new ATOM 0 HA SER A 48 -7.689 25.286 -37.415 1.00 1.68 H new ATOM 0 HB2 SER A 48 -5.916 27.019 -37.759 1.00 2.50 H new ATOM 0 HB3 SER A 48 -6.766 27.588 -39.182 1.00 2.50 H new ATOM 0 HG SER A 48 -8.666 27.709 -37.540 1.00 3.20 H new ATOM 765 N CYS A 49 -8.867 25.429 -40.390 1.00 2.02 N ATOM 766 CA CYS A 49 -10.091 25.366 -41.167 1.00 2.76 C ATOM 767 C CYS A 49 -10.538 23.916 -41.301 1.00 2.78 C ATOM 768 O CYS A 49 -10.092 23.201 -42.198 1.00 3.32 O ATOM 769 CB CYS A 49 -9.885 25.987 -42.552 1.00 3.84 C ATOM 770 SG CYS A 49 -11.352 25.947 -43.611 1.00 4.74 S ATOM 0 H CYS A 49 -8.030 25.152 -40.903 1.00 2.02 H new ATOM 0 HA CYS A 49 -10.865 25.935 -40.651 1.00 2.76 H new ATOM 0 HB2 CYS A 49 -9.568 27.023 -42.430 1.00 3.84 H new ATOM 0 HB3 CYS A 49 -9.073 25.462 -43.056 1.00 3.84 H new ATOM 0 HG CYS A 49 -11.076 26.496 -44.756 1.00 4.74 H new ATOM 776 N GLY A 50 -11.394 23.480 -40.392 1.00 2.67 N ATOM 777 CA GLY A 50 -11.859 22.111 -40.411 1.00 2.93 C ATOM 778 C GLY A 50 -13.014 21.897 -39.464 1.00 2.80 C ATOM 779 O GLY A 50 -13.875 22.767 -39.323 1.00 3.16 O ATOM 0 H GLY A 50 -11.776 24.052 -39.639 1.00 2.67 H new ATOM 0 HA2 GLY A 50 -12.165 21.845 -41.423 1.00 2.93 H new ATOM 0 HA3 GLY A 50 -11.039 21.445 -40.141 1.00 2.93 H new ATOM 783 N CYS A 51 -13.031 20.753 -38.802 1.00 2.72 N ATOM 784 CA CYS A 51 -14.102 20.426 -37.877 1.00 2.86 C ATOM 785 C CYS A 51 -13.593 20.456 -36.441 1.00 2.48 C ATOM 786 O CYS A 51 -13.248 19.416 -35.872 1.00 3.01 O ATOM 787 CB CYS A 51 -14.679 19.047 -38.199 1.00 3.50 C ATOM 788 SG CYS A 51 -15.217 18.844 -39.911 1.00 4.36 S ATOM 0 H CYS A 51 -12.313 20.033 -38.888 1.00 2.72 H new ATOM 0 HA CYS A 51 -14.890 21.172 -37.985 1.00 2.86 H new ATOM 0 HB2 CYS A 51 -13.927 18.291 -37.975 1.00 3.50 H new ATOM 0 HB3 CYS A 51 -15.526 18.858 -37.540 1.00 3.50 H new ATOM 0 HG CYS A 51 -15.686 17.643 -40.079 1.00 4.36 H new ATOM 794 N GLY A 52 -13.513 21.655 -35.876 1.00 2.09 N ATOM 795 CA GLY A 52 -13.042 21.813 -34.513 1.00 2.20 C ATOM 796 C GLY A 52 -11.549 21.586 -34.391 1.00 1.68 C ATOM 797 O GLY A 52 -10.755 22.526 -34.483 1.00 2.26 O ATOM 0 H GLY A 52 -13.768 22.526 -36.341 1.00 2.09 H new ATOM 0 HA2 GLY A 52 -13.285 22.816 -34.161 1.00 2.20 H new ATOM 0 HA3 GLY A 52 -13.568 21.112 -33.865 1.00 2.20 H new ATOM 801 N THR A 53 -11.166 20.342 -34.183 1.00 1.51 N ATOM 802 CA THR A 53 -9.767 19.980 -34.097 1.00 1.81 C ATOM 803 C THR A 53 -9.403 19.052 -35.251 1.00 1.47 C ATOM 804 O THR A 53 -9.737 17.863 -35.247 1.00 1.48 O ATOM 805 CB THR A 53 -9.449 19.313 -32.746 1.00 2.71 C ATOM 806 OG1 THR A 53 -9.903 20.157 -31.680 1.00 3.27 O ATOM 807 CG2 THR A 53 -7.953 19.066 -32.596 1.00 3.46 C ATOM 0 H THR A 53 -11.811 19.560 -34.070 1.00 1.51 H new ATOM 0 HA THR A 53 -9.169 20.889 -34.167 1.00 1.81 H new ATOM 0 HB THR A 53 -9.962 18.352 -32.707 1.00 2.71 H new ATOM 0 HG1 THR A 53 -9.703 19.733 -30.819 1.00 3.27 H new ATOM 0 HG21 THR A 53 -7.757 18.594 -31.633 1.00 3.46 H new ATOM 0 HG22 THR A 53 -7.610 18.411 -33.397 1.00 3.46 H new ATOM 0 HG23 THR A 53 -7.420 20.015 -32.650 1.00 3.46 H new ATOM 815 N SER A 54 -8.758 19.617 -36.257 1.00 1.25 N ATOM 816 CA SER A 54 -8.393 18.873 -37.445 1.00 1.00 C ATOM 817 C SER A 54 -6.911 19.067 -37.746 1.00 0.82 C ATOM 818 O SER A 54 -6.342 20.112 -37.430 1.00 0.89 O ATOM 819 CB SER A 54 -9.247 19.341 -38.627 1.00 1.14 C ATOM 820 OG SER A 54 -10.627 19.313 -38.292 1.00 1.71 O ATOM 0 H SER A 54 -8.475 20.597 -36.272 1.00 1.25 H new ATOM 0 HA SER A 54 -8.575 17.811 -37.278 1.00 1.00 H new ATOM 0 HB2 SER A 54 -8.958 20.352 -38.913 1.00 1.14 H new ATOM 0 HB3 SER A 54 -9.064 18.701 -39.490 1.00 1.14 H new ATOM 0 HG SER A 54 -10.788 18.613 -37.625 1.00 1.71 H new ATOM 826 N PHE A 55 -6.289 18.058 -38.338 1.00 0.67 N ATOM 827 CA PHE A 55 -4.873 18.126 -38.671 1.00 0.60 C ATOM 828 C PHE A 55 -4.628 17.577 -40.067 1.00 0.52 C ATOM 829 O PHE A 55 -5.282 16.623 -40.490 1.00 0.50 O ATOM 830 CB PHE A 55 -4.033 17.344 -37.656 1.00 0.67 C ATOM 831 CG PHE A 55 -4.040 17.935 -36.274 1.00 0.81 C ATOM 832 CD1 PHE A 55 -3.276 19.055 -35.981 1.00 0.86 C ATOM 833 CD2 PHE A 55 -4.806 17.370 -35.268 1.00 0.99 C ATOM 834 CE1 PHE A 55 -3.278 19.599 -34.711 1.00 1.03 C ATOM 835 CE2 PHE A 55 -4.810 17.910 -33.996 1.00 1.15 C ATOM 836 CZ PHE A 55 -4.046 19.026 -33.717 1.00 1.15 C ATOM 0 H PHE A 55 -6.742 17.182 -38.598 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.573 19.173 -38.640 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.404 16.320 -37.604 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -3.004 17.293 -38.013 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.673 19.507 -36.754 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -5.407 16.498 -35.480 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.679 20.472 -34.496 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -5.411 17.459 -33.220 1.00 1.15 H new ATOM 0 HZ PHE A 55 -4.049 19.450 -32.724 1.00 1.15 H new ATOM 846 N ASP A 56 -3.697 18.191 -40.779 1.00 0.51 N ATOM 847 CA ASP A 56 -3.300 17.712 -42.095 1.00 0.52 C ATOM 848 C ASP A 56 -1.813 17.419 -42.086 1.00 0.50 C ATOM 849 O ASP A 56 -1.007 18.321 -41.917 1.00 0.55 O ATOM 850 CB ASP A 56 -3.629 18.754 -43.165 1.00 0.58 C ATOM 851 CG ASP A 56 -3.374 18.253 -44.572 1.00 0.64 C ATOM 852 OD1 ASP A 56 -4.024 17.274 -44.986 1.00 1.35 O ATOM 853 OD2 ASP A 56 -2.562 18.867 -45.293 1.00 1.23 O ATOM 0 H ASP A 56 -3.200 19.025 -40.467 1.00 0.51 H new ATOM 0 HA ASP A 56 -3.850 16.801 -42.330 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.675 19.045 -43.072 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -3.032 19.649 -42.989 1.00 0.58 H new ATOM 858 N ALA A 57 -1.443 16.165 -42.259 1.00 0.48 N ATOM 859 CA ALA A 57 -0.054 15.771 -42.088 1.00 0.48 C ATOM 860 C ALA A 57 0.619 15.501 -43.420 1.00 0.44 C ATOM 861 O ALA A 57 0.202 14.626 -44.174 1.00 0.46 O ATOM 862 CB ALA A 57 0.043 14.543 -41.199 1.00 0.51 C ATOM 0 H ALA A 57 -2.076 15.407 -42.515 1.00 0.48 H new ATOM 0 HA ALA A 57 0.466 16.602 -41.611 1.00 0.48 H new ATOM 0 HB1 ALA A 57 1.089 14.261 -41.081 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.385 14.767 -40.222 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.506 13.719 -41.655 1.00 0.51 H new ATOM 868 N VAL A 58 1.661 16.261 -43.707 1.00 0.42 N ATOM 869 CA VAL A 58 2.452 16.033 -44.903 1.00 0.41 C ATOM 870 C VAL A 58 3.342 14.817 -44.691 1.00 0.39 C ATOM 871 O VAL A 58 4.273 14.847 -43.879 1.00 0.41 O ATOM 872 CB VAL A 58 3.324 17.256 -45.257 1.00 0.48 C ATOM 873 CG1 VAL A 58 4.145 16.995 -46.516 1.00 0.51 C ATOM 874 CG2 VAL A 58 2.462 18.492 -45.439 1.00 0.55 C ATOM 0 H VAL A 58 1.979 17.040 -43.130 1.00 0.42 H new ATOM 0 HA VAL A 58 1.767 15.863 -45.734 1.00 0.41 H new ATOM 0 HB VAL A 58 4.012 17.429 -44.429 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.751 17.872 -46.744 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.797 16.136 -46.354 1.00 0.51 H new ATOM 0 HG13 VAL A 58 3.475 16.790 -47.351 1.00 0.51 H new ATOM 0 HG21 VAL A 58 3.095 19.344 -45.688 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.748 18.322 -46.245 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.923 18.699 -44.515 1.00 0.55 H new ATOM 884 N ILE A 59 3.041 13.749 -45.412 1.00 0.38 N ATOM 885 CA ILE A 59 3.763 12.502 -45.259 1.00 0.40 C ATOM 886 C ILE A 59 4.553 12.182 -46.528 1.00 0.44 C ATOM 887 O ILE A 59 3.993 11.913 -47.595 1.00 0.65 O ATOM 888 CB ILE A 59 2.805 11.336 -44.862 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.551 9.989 -44.759 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.625 11.234 -45.822 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.611 9.190 -46.050 1.00 0.80 C ATOM 0 H ILE A 59 2.298 13.724 -46.111 1.00 0.38 H new ATOM 0 HA ILE A 59 4.476 12.617 -44.443 1.00 0.40 H new ATOM 0 HB ILE A 59 2.413 11.569 -43.872 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.569 10.179 -44.419 1.00 1.18 H new ATOM 0 HG13 ILE A 59 3.068 9.380 -43.994 1.00 1.18 H new ATOM 0 HG21 ILE A 59 0.978 10.412 -45.517 1.00 0.77 H new ATOM 0 HG22 ILE A 59 1.060 12.166 -45.805 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.992 11.051 -46.832 1.00 0.77 H new ATOM 0 HD11 ILE A 59 4.154 8.261 -45.878 1.00 0.80 H new ATOM 0 HD12 ILE A 59 2.599 8.962 -46.384 1.00 0.80 H new ATOM 0 HD13 ILE A 59 4.123 9.773 -46.815 1.00 0.80 H new ATOM 903 N VAL A 60 5.863 12.274 -46.401 1.00 0.39 N ATOM 904 CA VAL A 60 6.772 11.917 -47.471 1.00 0.42 C ATOM 905 C VAL A 60 7.470 10.612 -47.112 1.00 0.40 C ATOM 906 O VAL A 60 8.327 10.585 -46.231 1.00 0.44 O ATOM 907 CB VAL A 60 7.818 13.028 -47.700 1.00 0.51 C ATOM 908 CG1 VAL A 60 8.794 12.640 -48.792 1.00 0.58 C ATOM 909 CG2 VAL A 60 7.134 14.343 -48.041 1.00 0.58 C ATOM 0 H VAL A 60 6.326 12.599 -45.552 1.00 0.39 H new ATOM 0 HA VAL A 60 6.204 11.795 -48.393 1.00 0.42 H new ATOM 0 HB VAL A 60 8.380 13.158 -46.775 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.520 13.441 -48.933 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.314 11.725 -48.507 1.00 0.58 H new ATOM 0 HG13 VAL A 60 8.252 12.475 -49.723 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.887 15.115 -48.199 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.543 14.221 -48.949 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.480 14.637 -47.220 1.00 0.58 H new ATOM 919 N SER A 61 7.084 9.530 -47.769 1.00 0.39 N ATOM 920 CA SER A 61 7.580 8.214 -47.399 1.00 0.42 C ATOM 921 C SER A 61 7.612 7.266 -48.591 1.00 0.42 C ATOM 922 O SER A 61 6.890 7.447 -49.574 1.00 0.43 O ATOM 923 CB SER A 61 6.726 7.616 -46.277 1.00 0.45 C ATOM 924 OG SER A 61 7.150 6.301 -45.953 1.00 0.84 O ATOM 0 H SER A 61 6.434 9.536 -48.555 1.00 0.39 H new ATOM 0 HA SER A 61 8.603 8.340 -47.044 1.00 0.42 H new ATOM 0 HB2 SER A 61 6.789 8.249 -45.392 1.00 0.45 H new ATOM 0 HB3 SER A 61 5.680 7.598 -46.583 1.00 0.45 H new ATOM 0 HG SER A 61 7.638 6.315 -45.103 1.00 0.84 H new ATOM 930 N ASN A 62 8.489 6.272 -48.494 1.00 0.51 N ATOM 931 CA ASN A 62 8.608 5.221 -49.499 1.00 0.57 C ATOM 932 C ASN A 62 7.319 4.411 -49.623 1.00 0.56 C ATOM 933 O ASN A 62 7.105 3.738 -50.626 1.00 0.59 O ATOM 934 CB ASN A 62 9.776 4.286 -49.165 1.00 0.75 C ATOM 935 CG ASN A 62 11.102 4.755 -49.745 1.00 0.86 C ATOM 936 OD1 ASN A 62 11.232 6.054 -49.974 1.00 1.67 O flip ATOM 937 ND2 ASN A 62 12.001 3.951 -49.993 1.00 0.76 N flip ATOM 0 H ASN A 62 9.139 6.172 -47.714 1.00 0.51 H new ATOM 0 HA ASN A 62 8.798 5.708 -50.456 1.00 0.57 H new ATOM 0 HB2 ASN A 62 9.869 4.203 -48.082 1.00 0.75 H new ATOM 0 HB3 ASN A 62 9.554 3.288 -49.543 1.00 0.75 H new ATOM 0 HD21 ASN A 62 11.864 2.958 -49.803 1.00 0.76 H new ATOM 0 HD22 ASN A 62 12.883 4.278 -50.388 1.00 0.76 H new ATOM 944 N ASN A 63 6.463 4.474 -48.606 1.00 0.57 N ATOM 945 CA ASN A 63 5.207 3.722 -48.617 1.00 0.66 C ATOM 946 C ASN A 63 4.285 4.195 -49.747 1.00 0.67 C ATOM 947 O ASN A 63 3.453 3.434 -50.239 1.00 0.86 O ATOM 948 CB ASN A 63 4.490 3.821 -47.260 1.00 0.73 C ATOM 949 CG ASN A 63 3.870 5.184 -46.993 1.00 1.03 C ATOM 950 OD1 ASN A 63 4.343 6.210 -47.475 1.00 1.81 O ATOM 951 ND2 ASN A 63 2.801 5.201 -46.210 1.00 1.00 N ATOM 0 H ASN A 63 6.613 5.034 -47.767 1.00 0.57 H new ATOM 0 HA ASN A 63 5.454 2.676 -48.797 1.00 0.66 H new ATOM 0 HB2 ASN A 63 3.709 3.062 -47.216 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.201 3.594 -46.466 1.00 0.73 H new ATOM 0 HD21 ASN A 63 2.344 6.086 -45.990 1.00 1.00 H new ATOM 0 HD22 ASN A 63 2.435 4.329 -45.827 1.00 1.00 H new ATOM 958 N PHE A 64 4.444 5.447 -50.161 1.00 0.60 N ATOM 959 CA PHE A 64 3.676 5.986 -51.278 1.00 0.67 C ATOM 960 C PHE A 64 4.437 5.758 -52.583 1.00 0.60 C ATOM 961 O PHE A 64 3.885 5.875 -53.677 1.00 0.65 O ATOM 962 CB PHE A 64 3.407 7.481 -51.059 1.00 0.80 C ATOM 963 CG PHE A 64 2.490 8.096 -52.083 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.155 7.725 -52.150 1.00 1.84 C ATOM 965 CD2 PHE A 64 2.961 9.043 -52.978 1.00 2.11 C ATOM 966 CE1 PHE A 64 0.312 8.287 -53.091 1.00 2.66 C ATOM 967 CE2 PHE A 64 2.124 9.607 -53.920 1.00 2.95 C ATOM 968 CZ PHE A 64 0.796 9.229 -53.976 1.00 3.19 C ATOM 0 H PHE A 64 5.097 6.108 -49.740 1.00 0.60 H new ATOM 0 HA PHE A 64 2.717 5.472 -51.339 1.00 0.67 H new ATOM 0 HB2 PHE A 64 2.974 7.620 -50.069 1.00 0.80 H new ATOM 0 HB3 PHE A 64 4.357 8.016 -51.069 1.00 0.80 H new ATOM 0 HD1 PHE A 64 0.770 6.989 -51.460 1.00 1.84 H new ATOM 0 HD2 PHE A 64 3.997 9.344 -52.938 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.725 7.989 -53.133 1.00 2.66 H new ATOM 0 HE2 PHE A 64 2.507 10.343 -54.612 1.00 2.95 H new ATOM 0 HZ PHE A 64 0.138 9.670 -54.711 1.00 3.19 H new ATOM 978 N GLU A 65 5.704 5.395 -52.450 1.00 0.58 N ATOM 979 CA GLU A 65 6.568 5.146 -53.582 1.00 0.61 C ATOM 980 C GLU A 65 6.415 3.683 -54.010 1.00 0.65 C ATOM 981 O GLU A 65 6.841 3.281 -55.093 1.00 0.75 O ATOM 982 CB GLU A 65 8.008 5.508 -53.169 1.00 0.71 C ATOM 983 CG GLU A 65 9.080 4.552 -53.645 1.00 0.87 C ATOM 984 CD GLU A 65 9.462 4.745 -55.103 1.00 1.55 C ATOM 985 OE1 GLU A 65 8.846 5.595 -55.781 1.00 2.11 O ATOM 986 OE2 GLU A 65 10.387 4.050 -55.574 1.00 2.14 O ATOM 0 H GLU A 65 6.159 5.266 -51.546 1.00 0.58 H new ATOM 0 HA GLU A 65 6.303 5.758 -54.444 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.238 6.503 -53.550 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.053 5.565 -52.081 1.00 0.71 H new ATOM 0 HG2 GLU A 65 9.968 4.677 -53.026 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.733 3.529 -53.501 1.00 0.87 H new ATOM 993 N ASP A 66 5.741 2.914 -53.157 1.00 0.69 N ATOM 994 CA ASP A 66 5.462 1.499 -53.409 1.00 0.84 C ATOM 995 C ASP A 66 4.571 1.341 -54.645 1.00 0.80 C ATOM 996 O ASP A 66 4.495 0.264 -55.238 1.00 0.93 O ATOM 997 CB ASP A 66 4.776 0.889 -52.179 1.00 1.00 C ATOM 998 CG ASP A 66 4.735 -0.628 -52.201 1.00 1.40 C ATOM 999 OD1 ASP A 66 3.802 -1.199 -52.791 1.00 2.03 O ATOM 1000 OD2 ASP A 66 5.633 -1.258 -51.603 1.00 1.94 O ATOM 0 H ASP A 66 5.372 3.254 -52.269 1.00 0.69 H new ATOM 0 HA ASP A 66 6.401 0.977 -53.596 1.00 0.84 H new ATOM 0 HB2 ASP A 66 5.298 1.218 -51.281 1.00 1.00 H new ATOM 0 HB3 ASP A 66 3.757 1.272 -52.113 1.00 1.00 H new ATOM 1005 N LYS A 67 3.894 2.438 -55.008 1.00 0.78 N ATOM 1006 CA LYS A 67 3.046 2.524 -56.207 1.00 0.88 C ATOM 1007 C LYS A 67 1.685 1.862 -55.991 1.00 0.78 C ATOM 1008 O LYS A 67 0.697 2.252 -56.616 1.00 0.86 O ATOM 1009 CB LYS A 67 3.732 1.925 -57.448 1.00 1.17 C ATOM 1010 CG LYS A 67 5.053 2.588 -57.820 1.00 1.67 C ATOM 1011 CD LYS A 67 4.908 4.095 -57.974 1.00 2.00 C ATOM 1012 CE LYS A 67 6.207 4.740 -58.436 1.00 2.46 C ATOM 1013 NZ LYS A 67 7.369 4.319 -57.608 1.00 3.31 N ATOM 0 H LYS A 67 3.919 3.304 -54.470 1.00 0.78 H new ATOM 0 HA LYS A 67 2.887 3.587 -56.388 1.00 0.88 H new ATOM 0 HB2 LYS A 67 3.909 0.864 -57.273 1.00 1.17 H new ATOM 0 HB3 LYS A 67 3.051 1.999 -58.296 1.00 1.17 H new ATOM 0 HG2 LYS A 67 5.797 2.371 -57.053 1.00 1.67 H new ATOM 0 HG3 LYS A 67 5.423 2.162 -58.752 1.00 1.67 H new ATOM 0 HD2 LYS A 67 4.118 4.313 -58.692 1.00 2.00 H new ATOM 0 HD3 LYS A 67 4.603 4.531 -57.022 1.00 2.00 H new ATOM 0 HE2 LYS A 67 6.391 4.477 -59.478 1.00 2.46 H new ATOM 0 HE3 LYS A 67 6.107 5.825 -58.394 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 7.918 5.157 -57.328 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 7.029 3.828 -56.757 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 7.974 3.677 -58.159 1.00 3.31 H new ATOM 1027 N LYS A 68 1.635 0.869 -55.115 1.00 0.83 N ATOM 1028 CA LYS A 68 0.389 0.177 -54.805 1.00 0.90 C ATOM 1029 C LYS A 68 -0.535 1.083 -53.997 1.00 0.82 C ATOM 1030 O LYS A 68 -0.375 1.231 -52.783 1.00 0.87 O ATOM 1031 CB LYS A 68 0.681 -1.107 -54.025 1.00 1.16 C ATOM 1032 CG LYS A 68 1.637 -2.046 -54.743 1.00 1.35 C ATOM 1033 CD LYS A 68 0.990 -2.701 -55.947 1.00 1.37 C ATOM 1034 CE LYS A 68 0.020 -3.792 -55.530 1.00 1.55 C ATOM 1035 NZ LYS A 68 -0.603 -4.452 -56.702 1.00 1.99 N ATOM 0 H LYS A 68 2.446 0.522 -54.603 1.00 0.83 H new ATOM 0 HA LYS A 68 -0.108 -0.082 -55.740 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.101 -0.846 -53.054 1.00 1.16 H new ATOM 0 HB3 LYS A 68 -0.257 -1.630 -53.836 1.00 1.16 H new ATOM 0 HG2 LYS A 68 2.519 -1.491 -55.062 1.00 1.35 H new ATOM 0 HG3 LYS A 68 1.978 -2.816 -54.051 1.00 1.35 H new ATOM 0 HD2 LYS A 68 0.463 -1.948 -56.533 1.00 1.37 H new ATOM 0 HD3 LYS A 68 1.761 -3.124 -56.591 1.00 1.37 H new ATOM 0 HE2 LYS A 68 0.545 -4.536 -54.931 1.00 1.55 H new ATOM 0 HE3 LYS A 68 -0.758 -3.364 -54.897 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 -1.259 -5.191 -56.377 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 -1.125 -3.747 -57.260 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 0.137 -4.882 -57.292 1.00 1.99 H new ATOM 1049 N LEU A 69 -1.505 1.686 -54.673 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.386 2.651 -54.033 1.00 0.91 C ATOM 1051 C LEU A 69 -3.328 1.974 -53.041 1.00 0.85 C ATOM 1052 O LEU A 69 -3.635 2.541 -51.990 1.00 0.83 O ATOM 1053 CB LEU A 69 -3.162 3.469 -55.083 1.00 1.16 C ATOM 1054 CG LEU A 69 -3.955 2.671 -56.129 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -5.344 2.315 -55.618 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -4.051 3.454 -57.428 1.00 2.33 C ATOM 0 H LEU A 69 -1.700 1.524 -55.661 1.00 0.84 H new ATOM 0 HA LEU A 69 -1.765 3.344 -53.465 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -3.856 4.126 -54.558 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -2.453 4.109 -55.608 1.00 1.16 H new ATOM 0 HG LEU A 69 -3.421 1.740 -56.317 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -5.879 1.751 -56.382 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -5.256 1.710 -54.715 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -5.893 3.229 -55.390 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -4.615 2.876 -58.160 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -4.557 4.402 -57.245 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -3.049 3.646 -57.812 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.782 0.768 -53.368 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.669 0.030 -52.476 1.00 0.91 C ATOM 1070 C LEU A 70 -3.935 -0.393 -51.202 1.00 0.79 C ATOM 1071 O LEU A 70 -4.524 -0.441 -50.121 1.00 0.80 O ATOM 1072 CB LEU A 70 -5.367 -1.162 -53.189 1.00 1.06 C ATOM 1073 CG LEU A 70 -4.533 -2.396 -53.615 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -3.284 -2.014 -54.391 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -4.192 -3.282 -52.425 1.00 1.07 C ATOM 0 H LEU A 70 -3.553 0.285 -54.236 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.471 0.705 -52.178 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -6.160 -1.516 -52.530 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.848 -0.769 -54.085 1.00 1.06 H new ATOM 0 HG LEU A 70 -5.162 -2.974 -54.292 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -2.736 -2.915 -54.665 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -3.568 -1.473 -55.294 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -2.651 -1.379 -53.771 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -3.607 -4.137 -52.764 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -3.613 -2.710 -51.700 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -5.112 -3.634 -51.958 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.641 -0.677 -51.325 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.836 -1.038 -50.168 1.00 0.70 C ATOM 1089 C ASP A 71 -1.552 0.192 -49.325 1.00 0.63 C ATOM 1090 O ASP A 71 -1.546 0.128 -48.096 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.535 -1.729 -50.581 1.00 0.77 C ATOM 1092 CG ASP A 71 -0.756 -3.183 -50.952 1.00 1.25 C ATOM 1093 OD1 ASP A 71 -0.877 -4.024 -50.032 1.00 1.58 O ATOM 1094 OD2 ASP A 71 -0.818 -3.494 -52.157 1.00 2.08 O ATOM 0 H ASP A 71 -2.133 -0.664 -52.209 1.00 0.72 H new ATOM 0 HA ASP A 71 -2.404 -1.750 -49.570 1.00 0.70 H new ATOM 0 HB2 ASP A 71 -0.098 -1.201 -51.428 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.183 -1.669 -49.763 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.327 1.313 -49.993 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.205 2.595 -49.317 1.00 0.74 C ATOM 1101 C ARG A 72 -2.476 2.868 -48.515 1.00 0.67 C ATOM 1102 O ARG A 72 -2.420 3.298 -47.363 1.00 0.68 O ATOM 1103 CB ARG A 72 -0.950 3.701 -50.355 1.00 0.92 C ATOM 1104 CG ARG A 72 -0.729 5.096 -49.777 1.00 1.31 C ATOM 1105 CD ARG A 72 -2.038 5.826 -49.499 1.00 1.53 C ATOM 1106 NE ARG A 72 -2.894 5.904 -50.688 1.00 1.92 N ATOM 1107 CZ ARG A 72 -3.115 7.023 -51.378 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -2.514 8.153 -51.031 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -3.936 7.013 -52.420 1.00 2.93 N ATOM 0 H ARG A 72 -1.225 1.360 -51.007 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.362 2.577 -48.626 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -0.076 3.428 -50.946 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -1.798 3.738 -51.038 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -0.157 5.016 -48.852 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -0.130 5.683 -50.473 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -2.575 5.314 -48.700 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -1.822 6.833 -49.143 1.00 1.53 H new ATOM 0 HE ARG A 72 -3.349 5.048 -51.007 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -1.879 8.169 -50.233 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -2.687 9.006 -51.562 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -4.400 6.147 -52.695 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -4.103 7.871 -52.946 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.615 2.586 -49.134 1.00 0.68 N ATOM 1124 CA HIS A 73 -4.919 2.782 -48.507 1.00 0.71 C ATOM 1125 C HIS A 73 -5.082 1.883 -47.280 1.00 0.62 C ATOM 1126 O HIS A 73 -5.386 2.361 -46.187 1.00 0.62 O ATOM 1127 CB HIS A 73 -6.025 2.496 -49.534 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.420 2.767 -49.049 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -8.091 3.939 -49.319 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.280 2.001 -48.336 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.300 3.883 -48.793 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.441 2.718 -48.192 1.00 1.15 N ATOM 0 H HIS A 73 -3.663 2.216 -50.083 1.00 0.68 H new ATOM 0 HA HIS A 73 -4.995 3.816 -48.170 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -5.841 3.099 -50.423 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.958 1.451 -49.838 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.088 1.010 -47.952 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -10.048 4.660 -48.846 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.277 2.401 -47.700 1.00 1.15 H new ATOM 1141 N ARG A 74 -4.861 0.585 -47.467 1.00 0.60 N ATOM 1142 CA ARG A 74 -5.072 -0.395 -46.404 1.00 0.59 C ATOM 1143 C ARG A 74 -4.125 -0.160 -45.225 1.00 0.51 C ATOM 1144 O ARG A 74 -4.515 -0.338 -44.075 1.00 0.52 O ATOM 1145 CB ARG A 74 -4.915 -1.824 -46.947 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.504 -2.159 -47.401 1.00 0.74 C ATOM 1147 CD ARG A 74 -3.461 -3.403 -48.274 1.00 0.86 C ATOM 1148 NE ARG A 74 -3.803 -4.623 -47.549 1.00 0.88 N ATOM 1149 CZ ARG A 74 -3.439 -5.840 -47.950 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -2.641 -5.980 -49.003 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -3.845 -6.914 -47.285 1.00 1.32 N ATOM 0 H ARG A 74 -4.535 0.186 -48.347 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.091 -0.271 -46.038 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -5.215 -2.531 -46.173 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -5.598 -1.961 -47.785 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -3.092 -1.315 -47.954 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -2.869 -2.308 -46.528 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -4.151 -3.278 -49.109 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -2.463 -3.507 -48.699 1.00 0.86 H new ATOM 0 HE ARG A 74 -4.349 -4.539 -46.691 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -2.308 -5.156 -49.503 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -2.362 -6.911 -49.311 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -4.439 -6.810 -46.462 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -3.563 -7.843 -47.597 1.00 1.32 H new ATOM 1165 N LEU A 75 -2.890 0.251 -45.510 1.00 0.47 N ATOM 1166 CA LEU A 75 -1.918 0.530 -44.454 1.00 0.46 C ATOM 1167 C LEU A 75 -2.379 1.696 -43.590 1.00 0.42 C ATOM 1168 O LEU A 75 -2.396 1.602 -42.359 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.535 0.829 -45.043 1.00 0.51 C ATOM 1170 CG LEU A 75 0.457 -0.340 -45.024 1.00 0.79 C ATOM 1171 CD1 LEU A 75 0.743 -0.771 -43.594 1.00 1.48 C ATOM 1172 CD2 LEU A 75 -0.069 -1.514 -45.836 1.00 1.36 C ATOM 0 H LEU A 75 -2.540 0.397 -46.457 1.00 0.47 H new ATOM 0 HA LEU A 75 -1.843 -0.361 -43.830 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.662 1.158 -46.074 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.098 1.663 -44.494 1.00 0.51 H new ATOM 0 HG LEU A 75 1.387 -0.002 -45.480 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.449 -1.602 -43.599 1.00 1.48 H new ATOM 0 HD12 LEU A 75 1.170 0.065 -43.041 1.00 1.48 H new ATOM 0 HD13 LEU A 75 -0.185 -1.086 -43.116 1.00 1.48 H new ATOM 0 HD21 LEU A 75 0.653 -2.330 -45.806 1.00 1.36 H new ATOM 0 HD22 LEU A 75 -1.016 -1.852 -45.415 1.00 1.36 H new ATOM 0 HD23 LEU A 75 -0.222 -1.202 -46.869 1.00 1.36 H new ATOM 1184 N VAL A 76 -2.764 2.787 -44.240 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.291 3.947 -43.536 1.00 0.50 C ATOM 1186 C VAL A 76 -4.523 3.559 -42.725 1.00 0.48 C ATOM 1187 O VAL A 76 -4.663 3.948 -41.569 1.00 0.50 O ATOM 1188 CB VAL A 76 -3.645 5.091 -44.515 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -4.330 6.243 -43.794 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -2.395 5.584 -45.228 1.00 0.82 C ATOM 0 H VAL A 76 -2.721 2.892 -45.254 1.00 0.45 H new ATOM 0 HA VAL A 76 -2.513 4.306 -42.862 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.341 4.695 -45.255 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -4.566 7.031 -44.509 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -5.250 5.887 -43.330 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -3.666 6.638 -43.025 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -2.661 6.389 -45.913 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -1.679 5.954 -44.494 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -1.948 4.763 -45.788 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.393 2.757 -43.325 1.00 0.48 N ATOM 1201 CA ASN A 77 -6.605 2.302 -42.652 1.00 0.53 C ATOM 1202 C ASN A 77 -6.278 1.427 -41.444 1.00 0.49 C ATOM 1203 O ASN A 77 -6.969 1.488 -40.435 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.512 1.537 -43.622 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.370 2.451 -44.485 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -7.889 3.656 -44.756 1.00 1.14 O flip ATOM 1207 ND2 ASN A 77 -9.463 2.073 -44.905 1.00 0.92 N flip ATOM 0 H ASN A 77 -5.283 2.407 -44.277 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.133 3.188 -42.299 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -6.897 0.910 -44.268 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.160 0.870 -43.054 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -9.802 1.138 -44.676 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -10.030 2.694 -45.482 1.00 0.92 H new ATOM 1214 N THR A 78 -5.219 0.630 -41.545 1.00 0.45 N ATOM 1215 CA THR A 78 -4.835 -0.272 -40.462 1.00 0.50 C ATOM 1216 C THR A 78 -4.475 0.501 -39.191 1.00 0.46 C ATOM 1217 O THR A 78 -4.997 0.219 -38.111 1.00 0.50 O ATOM 1218 CB THR A 78 -3.641 -1.171 -40.865 1.00 0.57 C ATOM 1219 OG1 THR A 78 -3.966 -1.942 -42.032 1.00 0.62 O ATOM 1220 CG2 THR A 78 -3.259 -2.116 -39.731 1.00 0.69 C ATOM 0 H THR A 78 -4.612 0.589 -42.364 1.00 0.45 H new ATOM 0 HA THR A 78 -5.701 -0.903 -40.263 1.00 0.50 H new ATOM 0 HB THR A 78 -2.795 -0.519 -41.082 1.00 0.57 H new ATOM 0 HG1 THR A 78 -4.011 -1.351 -42.812 1.00 0.62 H new ATOM 0 HG21 THR A 78 -2.418 -2.736 -40.042 1.00 0.69 H new ATOM 0 HG22 THR A 78 -2.977 -1.535 -38.853 1.00 0.69 H new ATOM 0 HG23 THR A 78 -4.109 -2.754 -39.487 1.00 0.69 H new ATOM 1228 N ILE A 79 -3.593 1.484 -39.322 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.133 2.249 -38.165 1.00 0.45 C ATOM 1230 C ILE A 79 -4.156 3.316 -37.774 1.00 0.45 C ATOM 1231 O ILE A 79 -4.559 3.429 -36.606 1.00 0.50 O ATOM 1232 CB ILE A 79 -1.757 2.921 -38.425 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -0.633 1.874 -38.497 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.440 3.952 -37.348 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.616 1.055 -39.771 1.00 0.77 C ATOM 0 H ILE A 79 -3.183 1.771 -40.211 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.019 1.541 -37.344 1.00 0.45 H new ATOM 0 HB ILE A 79 -1.819 3.429 -39.387 1.00 0.51 H new ATOM 0 HG12 ILE A 79 0.326 2.382 -38.394 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -0.729 1.198 -37.647 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.471 4.407 -37.554 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.210 4.723 -37.345 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.412 3.464 -36.374 1.00 0.59 H new ATOM 0 HD11 ILE A 79 0.209 0.343 -39.735 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -1.558 0.515 -39.869 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.487 1.717 -40.627 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.605 4.075 -38.759 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.499 5.187 -38.496 1.00 0.52 C ATOM 1249 C LEU A 80 -6.911 4.705 -38.184 1.00 0.56 C ATOM 1250 O LEU A 80 -7.786 5.511 -37.891 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.505 6.190 -39.655 1.00 0.56 C ATOM 1252 CG LEU A 80 -4.265 7.096 -39.749 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -3.034 6.316 -40.184 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -4.527 8.249 -40.701 1.00 0.71 C ATOM 0 H LEU A 80 -4.366 3.942 -39.742 1.00 0.45 H new ATOM 0 HA LEU A 80 -5.121 5.703 -37.613 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.603 5.639 -40.590 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.389 6.821 -39.563 1.00 0.56 H new ATOM 0 HG LEU A 80 -4.068 7.495 -38.754 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -2.178 6.988 -40.239 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.829 5.527 -39.461 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -3.211 5.873 -41.164 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -3.642 8.882 -40.758 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -4.758 7.858 -41.692 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -5.370 8.836 -40.338 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.127 3.390 -38.242 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.379 2.799 -37.783 1.00 0.68 C ATOM 1268 C LYS A 81 -8.684 3.286 -36.374 1.00 0.68 C ATOM 1269 O LYS A 81 -9.666 3.985 -36.147 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.275 1.268 -37.789 1.00 0.77 C ATOM 1271 CG LYS A 81 -9.533 0.544 -37.332 1.00 1.02 C ATOM 1272 CD LYS A 81 -10.661 0.675 -38.341 1.00 0.99 C ATOM 1273 CE LYS A 81 -11.854 -0.178 -37.944 1.00 1.56 C ATOM 1274 NZ LYS A 81 -12.916 -0.169 -38.982 1.00 1.93 N ATOM 0 H LYS A 81 -6.450 2.717 -38.602 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.182 3.101 -38.455 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.028 0.938 -38.798 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -7.447 0.971 -37.145 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -9.308 -0.511 -37.174 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -9.856 0.948 -36.372 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -10.966 1.719 -38.416 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -10.307 0.374 -39.327 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -11.525 -1.203 -37.771 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -12.264 0.188 -37.003 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -13.711 -0.763 -38.671 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -13.249 0.805 -39.130 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -12.533 -0.543 -39.874 1.00 1.93 H new ATOM 1288 N GLU A 82 -7.823 2.923 -35.435 1.00 0.69 N ATOM 1289 CA GLU A 82 -7.956 3.387 -34.065 1.00 0.73 C ATOM 1290 C GLU A 82 -7.525 4.839 -33.941 1.00 0.67 C ATOM 1291 O GLU A 82 -8.068 5.588 -33.134 1.00 0.68 O ATOM 1292 CB GLU A 82 -7.121 2.528 -33.110 1.00 0.90 C ATOM 1293 CG GLU A 82 -5.642 2.483 -33.474 1.00 1.53 C ATOM 1294 CD GLU A 82 -4.742 2.308 -32.268 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -4.591 1.162 -31.797 1.00 2.91 O ATOM 1296 OE2 GLU A 82 -4.182 3.318 -31.789 1.00 2.75 O ATOM 0 H GLU A 82 -7.025 2.309 -35.598 1.00 0.69 H new ATOM 0 HA GLU A 82 -9.008 3.301 -33.793 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -7.227 2.916 -32.097 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -7.518 1.513 -33.105 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -5.470 1.663 -34.171 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -5.372 3.404 -33.991 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.535 5.229 -34.737 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.971 6.568 -34.650 1.00 0.64 C ATOM 1305 C GLU A 83 -7.036 7.648 -34.797 1.00 0.55 C ATOM 1306 O GLU A 83 -7.163 8.537 -33.955 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.937 6.751 -35.735 1.00 0.70 C ATOM 1308 CG GLU A 83 -4.164 8.027 -35.579 1.00 0.64 C ATOM 1309 CD GLU A 83 -3.200 7.953 -34.412 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -3.672 7.898 -33.250 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -1.983 7.906 -34.648 1.00 1.66 O ATOM 0 H GLU A 83 -6.108 4.636 -35.449 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.518 6.669 -33.664 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.247 5.907 -35.721 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.430 6.744 -36.707 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.612 8.234 -36.496 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -4.855 8.856 -35.429 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.792 7.552 -35.878 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.883 8.486 -36.169 1.00 0.48 C ATOM 1320 C LEU A 84 -9.830 8.665 -34.984 1.00 0.52 C ATOM 1321 O LEU A 84 -10.416 9.731 -34.827 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.685 8.037 -37.395 1.00 0.50 C ATOM 1323 CG LEU A 84 -8.926 8.050 -38.725 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -9.848 7.651 -39.866 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.309 9.418 -38.982 1.00 0.51 C ATOM 0 H LEU A 84 -7.672 6.825 -36.584 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.412 9.447 -36.375 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -10.051 7.026 -37.217 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.559 8.681 -37.490 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.117 7.322 -38.666 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.293 7.665 -40.804 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.234 6.647 -39.688 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -10.679 8.354 -39.925 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -7.775 9.404 -39.932 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -9.096 10.171 -39.020 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.613 9.660 -38.178 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.995 7.629 -34.158 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.897 7.707 -33.004 1.00 0.67 C ATOM 1339 C GLN A 85 -10.502 8.865 -32.085 1.00 0.70 C ATOM 1340 O GLN A 85 -11.326 9.388 -31.332 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.885 6.414 -32.176 1.00 0.75 C ATOM 1342 CG GLN A 85 -11.108 5.121 -32.956 1.00 0.80 C ATOM 1343 CD GLN A 85 -12.176 5.222 -34.022 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -13.366 5.067 -33.754 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.747 5.419 -35.254 1.00 0.72 N ATOM 0 H GLN A 85 -9.520 6.732 -34.264 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.898 7.864 -33.405 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.927 6.344 -31.661 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -11.655 6.490 -31.408 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -10.169 4.824 -33.424 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -11.380 4.330 -32.257 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.751 5.543 -35.433 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.412 5.447 -36.027 1.00 0.72 H new ATOM 1354 N ASN A 86 -9.235 9.255 -32.150 1.00 0.64 N ATOM 1355 CA ASN A 86 -8.687 10.277 -31.266 1.00 0.71 C ATOM 1356 C ASN A 86 -8.797 11.667 -31.884 1.00 0.67 C ATOM 1357 O ASN A 86 -8.575 12.674 -31.211 1.00 0.77 O ATOM 1358 CB ASN A 86 -7.220 9.963 -30.967 1.00 0.75 C ATOM 1359 CG ASN A 86 -7.036 8.626 -30.277 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -7.831 8.235 -29.419 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -6.003 7.896 -30.673 1.00 0.87 N ATOM 0 H ASN A 86 -8.561 8.874 -32.814 1.00 0.64 H new ATOM 0 HA ASN A 86 -9.266 10.271 -30.342 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.655 9.967 -31.899 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -6.805 10.751 -30.339 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -5.843 6.975 -30.265 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -5.368 8.255 -31.386 1.00 0.87 H new ATOM 1368 N ILE A 87 -9.143 11.724 -33.163 1.00 0.61 N ATOM 1369 CA ILE A 87 -9.210 12.991 -33.879 1.00 0.62 C ATOM 1370 C ILE A 87 -10.624 13.209 -34.410 1.00 0.67 C ATOM 1371 O ILE A 87 -11.425 12.277 -34.450 1.00 0.77 O ATOM 1372 CB ILE A 87 -8.209 13.027 -35.063 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.917 12.291 -34.692 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.905 14.465 -35.466 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.841 12.356 -35.754 1.00 0.59 C ATOM 0 H ILE A 87 -9.382 10.908 -33.726 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.945 13.784 -33.180 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.665 12.522 -35.914 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.525 12.712 -33.767 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -7.152 11.246 -34.492 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -7.201 14.469 -36.298 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.827 14.961 -35.769 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.469 14.996 -34.620 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -4.960 11.811 -35.414 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.212 11.907 -36.676 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.575 13.397 -35.939 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.943 14.434 -34.797 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.232 14.703 -35.411 1.00 0.80 C ATOM 1389 C HIS A 88 -12.108 14.589 -36.924 1.00 0.76 C ATOM 1390 O HIS A 88 -12.932 13.955 -37.579 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.753 16.088 -35.017 1.00 0.95 C ATOM 1392 CG HIS A 88 -14.228 16.250 -35.228 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -15.119 16.423 -34.192 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.969 16.276 -36.363 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -16.341 16.546 -34.678 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -16.275 16.461 -35.992 1.00 1.85 N ATOM 0 H HIS A 88 -10.336 15.248 -34.699 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.951 13.966 -35.052 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.521 16.270 -33.968 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -12.225 16.845 -35.597 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -14.599 16.171 -37.372 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -17.240 16.691 -34.098 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -17.069 16.523 -36.630 1.00 1.85 H new ATOM 1405 N ALA A 89 -11.066 15.200 -37.470 1.00 0.69 N ATOM 1406 CA ALA A 89 -10.803 15.131 -38.898 1.00 0.68 C ATOM 1407 C ALA A 89 -9.305 15.184 -39.168 1.00 0.62 C ATOM 1408 O ALA A 89 -8.661 16.210 -38.951 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.517 16.259 -39.629 1.00 0.78 C ATOM 0 H ALA A 89 -10.388 15.750 -36.943 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.187 14.182 -39.272 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.308 16.190 -40.697 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.591 16.177 -39.464 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.164 17.218 -39.251 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.748 14.066 -39.599 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.337 14.004 -39.938 1.00 0.47 C ATOM 1417 C PHE A 90 -7.156 13.687 -41.416 1.00 0.48 C ATOM 1418 O PHE A 90 -7.721 12.719 -41.924 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.637 12.945 -39.084 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.166 12.811 -39.364 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.259 13.697 -38.810 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.692 11.793 -40.177 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -2.907 13.572 -39.059 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.342 11.665 -40.431 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.449 12.554 -39.872 1.00 0.49 C ATOM 0 H PHE A 90 -9.252 13.188 -39.723 1.00 0.52 H new ATOM 0 HA PHE A 90 -6.889 14.977 -39.735 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.775 13.192 -38.031 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.118 11.981 -39.251 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.613 14.496 -38.175 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.387 11.093 -40.616 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.209 14.269 -38.619 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -2.985 10.869 -41.067 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.392 12.454 -40.070 1.00 0.49 H new ATOM 1435 N SER A 91 -6.378 14.510 -42.099 1.00 0.44 N ATOM 1436 CA SER A 91 -6.041 14.265 -43.489 1.00 0.48 C ATOM 1437 C SER A 91 -4.526 14.241 -43.646 1.00 0.45 C ATOM 1438 O SER A 91 -3.798 14.631 -42.730 1.00 0.52 O ATOM 1439 CB SER A 91 -6.675 15.329 -44.392 1.00 0.56 C ATOM 1440 OG SER A 91 -6.341 16.638 -43.962 1.00 1.27 O ATOM 0 H SER A 91 -5.966 15.358 -41.710 1.00 0.44 H new ATOM 0 HA SER A 91 -6.439 13.297 -43.793 1.00 0.48 H new ATOM 0 HB2 SER A 91 -6.338 15.185 -45.419 1.00 0.56 H new ATOM 0 HB3 SER A 91 -7.758 15.210 -44.392 1.00 0.56 H new ATOM 0 HG SER A 91 -5.664 17.016 -44.561 1.00 1.27 H new ATOM 1446 N MET A 92 -4.045 13.773 -44.786 1.00 0.48 N ATOM 1447 CA MET A 92 -2.614 13.672 -45.009 1.00 0.48 C ATOM 1448 C MET A 92 -2.259 13.993 -46.458 1.00 0.53 C ATOM 1449 O MET A 92 -3.029 13.707 -47.377 1.00 0.62 O ATOM 1450 CB MET A 92 -2.106 12.267 -44.642 1.00 0.52 C ATOM 1451 CG MET A 92 -2.543 11.161 -45.601 1.00 0.61 C ATOM 1452 SD MET A 92 -4.325 10.871 -45.611 1.00 0.64 S ATOM 1453 CE MET A 92 -4.601 10.366 -43.914 1.00 0.64 C ATOM 0 H MET A 92 -4.621 13.459 -45.567 1.00 0.48 H new ATOM 0 HA MET A 92 -2.126 14.404 -44.365 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.017 12.287 -44.604 1.00 0.52 H new ATOM 0 HB3 MET A 92 -2.455 12.019 -43.640 1.00 0.52 H new ATOM 0 HG2 MET A 92 -2.220 11.418 -46.610 1.00 0.61 H new ATOM 0 HG3 MET A 92 -2.035 10.236 -45.330 1.00 0.61 H new ATOM 0 HE1 MET A 92 -5.552 9.839 -43.841 1.00 0.64 H new ATOM 0 HE2 MET A 92 -3.795 9.705 -43.595 1.00 0.64 H new ATOM 0 HE3 MET A 92 -4.624 11.246 -43.272 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.098 14.604 -46.646 1.00 0.52 N ATOM 1464 CA LYS A 93 -0.577 14.868 -47.976 1.00 0.59 C ATOM 1465 C LYS A 93 0.415 13.778 -48.344 1.00 0.49 C ATOM 1466 O LYS A 93 1.514 13.718 -47.799 1.00 0.42 O ATOM 1467 CB LYS A 93 0.106 16.241 -48.021 1.00 0.70 C ATOM 1468 CG LYS A 93 -0.854 17.405 -47.837 1.00 1.14 C ATOM 1469 CD LYS A 93 -1.793 17.542 -49.023 1.00 1.44 C ATOM 1470 CE LYS A 93 -2.855 18.602 -48.780 1.00 1.93 C ATOM 1471 NZ LYS A 93 -3.749 18.234 -47.651 1.00 2.23 N ATOM 0 H LYS A 93 -0.497 14.927 -45.888 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.399 14.873 -48.692 1.00 0.59 H new ATOM 0 HB2 LYS A 93 0.869 16.284 -47.243 1.00 0.70 H new ATOM 0 HB3 LYS A 93 0.619 16.351 -48.977 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -1.435 17.259 -46.926 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -0.289 18.328 -47.710 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -1.219 17.799 -49.913 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -2.274 16.584 -49.219 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -2.374 19.557 -48.568 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -3.448 18.738 -49.685 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -4.739 18.396 -47.925 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -3.615 17.230 -47.415 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -3.519 18.818 -46.822 1.00 2.23 H new ATOM 1485 N CYS A 94 0.025 12.930 -49.277 1.00 0.56 N ATOM 1486 CA CYS A 94 0.825 11.775 -49.643 1.00 0.54 C ATOM 1487 C CYS A 94 1.797 12.117 -50.764 1.00 0.52 C ATOM 1488 O CYS A 94 1.391 12.389 -51.895 1.00 0.64 O ATOM 1489 CB CYS A 94 -0.093 10.622 -50.051 1.00 0.73 C ATOM 1490 SG CYS A 94 -1.442 11.106 -51.158 1.00 1.38 S ATOM 0 H CYS A 94 -0.847 13.020 -49.799 1.00 0.56 H new ATOM 0 HA CYS A 94 1.415 11.469 -48.779 1.00 0.54 H new ATOM 0 HB2 CYS A 94 0.504 9.852 -50.539 1.00 0.73 H new ATOM 0 HB3 CYS A 94 -0.518 10.175 -49.152 1.00 0.73 H new ATOM 0 HG CYS A 94 -1.403 10.377 -52.234 1.00 1.38 H new ATOM 1496 N HIS A 95 3.082 12.127 -50.436 1.00 0.44 N ATOM 1497 CA HIS A 95 4.123 12.438 -51.407 1.00 0.50 C ATOM 1498 C HIS A 95 5.314 11.501 -51.238 1.00 0.44 C ATOM 1499 O HIS A 95 5.516 10.921 -50.170 1.00 0.44 O ATOM 1500 CB HIS A 95 4.579 13.895 -51.257 1.00 0.62 C ATOM 1501 CG HIS A 95 3.818 14.870 -52.111 1.00 0.95 C ATOM 1502 ND1 HIS A 95 2.444 14.891 -52.204 1.00 1.36 N ATOM 1503 CD2 HIS A 95 4.258 15.854 -52.929 1.00 1.84 C ATOM 1504 CE1 HIS A 95 2.077 15.840 -53.041 1.00 1.65 C ATOM 1505 NE2 HIS A 95 3.156 16.443 -53.497 1.00 1.98 N ATOM 0 H HIS A 95 3.430 11.922 -49.499 1.00 0.44 H new ATOM 0 HA HIS A 95 3.708 12.299 -52.405 1.00 0.50 H new ATOM 0 HB2 HIS A 95 4.479 14.189 -50.212 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.638 13.960 -51.507 1.00 0.62 H new ATOM 0 HD1 HIS A 95 1.810 14.269 -51.703 1.00 1.36 H new ATOM 0 HD2 HIS A 95 5.288 16.126 -53.103 1.00 1.84 H new ATOM 0 HE1 HIS A 95 1.060 16.083 -53.309 1.00 1.65 H new ATOM 1514 N THR A 96 6.090 11.344 -52.299 1.00 0.46 N ATOM 1515 CA THR A 96 7.280 10.514 -52.257 1.00 0.49 C ATOM 1516 C THR A 96 8.516 11.375 -52.041 1.00 0.46 C ATOM 1517 O THR A 96 8.520 12.554 -52.395 1.00 0.47 O ATOM 1518 CB THR A 96 7.447 9.715 -53.563 1.00 0.58 C ATOM 1519 OG1 THR A 96 7.456 10.606 -54.687 1.00 0.76 O ATOM 1520 CG2 THR A 96 6.331 8.702 -53.724 1.00 0.65 C ATOM 0 H THR A 96 5.915 11.783 -53.203 1.00 0.46 H new ATOM 0 HA THR A 96 7.166 9.816 -51.428 1.00 0.49 H new ATOM 0 HB THR A 96 8.396 9.181 -53.516 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.564 10.090 -55.513 1.00 0.76 H new ATOM 0 HG21 THR A 96 6.471 8.151 -54.654 1.00 0.65 H new ATOM 0 HG22 THR A 96 6.346 8.007 -52.884 1.00 0.65 H new ATOM 0 HG23 THR A 96 5.372 9.219 -53.750 1.00 0.65 H new ATOM 1528 N PRO A 97 9.582 10.810 -51.450 1.00 0.47 N ATOM 1529 CA PRO A 97 10.855 11.521 -51.281 1.00 0.48 C ATOM 1530 C PRO A 97 11.490 11.842 -52.629 1.00 0.52 C ATOM 1531 O PRO A 97 12.301 12.759 -52.753 1.00 0.54 O ATOM 1532 CB PRO A 97 11.724 10.538 -50.491 1.00 0.53 C ATOM 1533 CG PRO A 97 11.101 9.204 -50.715 1.00 0.72 C ATOM 1534 CD PRO A 97 9.629 9.455 -50.883 1.00 0.51 C ATOM 0 HA PRO A 97 10.733 12.479 -50.775 1.00 0.48 H new ATOM 0 HB2 PRO A 97 12.756 10.555 -50.841 1.00 0.53 H new ATOM 0 HB3 PRO A 97 11.742 10.792 -49.431 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.518 8.723 -51.600 1.00 0.72 H new ATOM 0 HG3 PRO A 97 11.289 8.539 -49.872 1.00 0.72 H new ATOM 0 HD2 PRO A 97 9.169 8.724 -51.548 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.100 9.398 -49.932 1.00 0.51 H new ATOM 1542 N LEU A 98 11.092 11.078 -53.639 1.00 0.60 N ATOM 1543 CA LEU A 98 11.562 11.282 -54.998 1.00 0.71 C ATOM 1544 C LEU A 98 10.997 12.594 -55.539 1.00 0.66 C ATOM 1545 O LEU A 98 11.712 13.393 -56.146 1.00 0.71 O ATOM 1546 CB LEU A 98 11.124 10.092 -55.867 1.00 0.88 C ATOM 1547 CG LEU A 98 11.940 9.852 -57.142 1.00 1.34 C ATOM 1548 CD1 LEU A 98 11.632 10.899 -58.202 1.00 2.08 C ATOM 1549 CD2 LEU A 98 13.425 9.841 -56.815 1.00 1.78 C ATOM 0 H LEU A 98 10.437 10.303 -53.537 1.00 0.60 H new ATOM 0 HA LEU A 98 12.650 11.344 -55.016 1.00 0.71 H new ATOM 0 HB2 LEU A 98 11.165 9.189 -55.258 1.00 0.88 H new ATOM 0 HB3 LEU A 98 10.081 10.239 -56.149 1.00 0.88 H new ATOM 0 HG LEU A 98 11.660 8.880 -57.548 1.00 1.34 H new ATOM 0 HD11 LEU A 98 12.227 10.700 -59.093 1.00 2.08 H new ATOM 0 HD12 LEU A 98 10.573 10.859 -58.456 1.00 2.08 H new ATOM 0 HD13 LEU A 98 11.875 11.889 -57.817 1.00 2.08 H new ATOM 0 HD21 LEU A 98 13.997 9.670 -57.727 1.00 1.78 H new ATOM 0 HD22 LEU A 98 13.710 10.800 -56.383 1.00 1.78 H new ATOM 0 HD23 LEU A 98 13.634 9.045 -56.101 1.00 1.78 H new ATOM 1561 N GLU A 99 9.714 12.810 -55.285 1.00 0.65 N ATOM 1562 CA GLU A 99 9.033 14.029 -55.698 1.00 0.72 C ATOM 1563 C GLU A 99 9.424 15.186 -54.781 1.00 0.64 C ATOM 1564 O GLU A 99 9.564 16.326 -55.223 1.00 0.71 O ATOM 1565 CB GLU A 99 7.522 13.799 -55.665 1.00 0.88 C ATOM 1566 CG GLU A 99 6.689 15.000 -56.071 1.00 1.19 C ATOM 1567 CD GLU A 99 5.208 14.694 -56.045 1.00 1.91 C ATOM 1568 OE1 GLU A 99 4.772 13.948 -55.142 1.00 2.44 O ATOM 1569 OE2 GLU A 99 4.474 15.187 -56.929 1.00 2.69 O ATOM 0 H GLU A 99 9.118 12.148 -54.789 1.00 0.65 H new ATOM 0 HA GLU A 99 9.330 14.287 -56.714 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.280 12.966 -56.326 1.00 0.88 H new ATOM 0 HB3 GLU A 99 7.236 13.499 -54.657 1.00 0.88 H new ATOM 0 HG2 GLU A 99 6.900 15.832 -55.399 1.00 1.19 H new ATOM 0 HG3 GLU A 99 6.976 15.319 -57.073 1.00 1.19 H new ATOM 1576 N TYR A 100 9.616 14.875 -53.501 1.00 0.57 N ATOM 1577 CA TYR A 100 10.029 15.866 -52.512 1.00 0.63 C ATOM 1578 C TYR A 100 11.354 16.512 -52.907 1.00 0.66 C ATOM 1579 O TYR A 100 11.589 17.682 -52.619 1.00 0.76 O ATOM 1580 CB TYR A 100 10.147 15.220 -51.126 1.00 0.67 C ATOM 1581 CG TYR A 100 10.577 16.184 -50.043 1.00 0.85 C ATOM 1582 CD1 TYR A 100 9.708 17.158 -49.567 1.00 0.98 C ATOM 1583 CD2 TYR A 100 11.855 16.125 -49.500 1.00 0.96 C ATOM 1584 CE1 TYR A 100 10.098 18.046 -48.584 1.00 1.17 C ATOM 1585 CE2 TYR A 100 12.252 17.008 -48.515 1.00 1.15 C ATOM 1586 CZ TYR A 100 11.371 17.966 -48.060 1.00 1.24 C ATOM 1587 OH TYR A 100 11.764 18.850 -47.082 1.00 1.46 O ATOM 0 H TYR A 100 9.491 13.936 -53.123 1.00 0.57 H new ATOM 0 HA TYR A 100 9.267 16.645 -52.474 1.00 0.63 H new ATOM 0 HB2 TYR A 100 9.185 14.786 -50.854 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.863 14.400 -51.176 1.00 0.67 H new ATOM 0 HD1 TYR A 100 8.709 17.222 -49.973 1.00 0.98 H new ATOM 0 HD2 TYR A 100 12.549 15.377 -49.854 1.00 0.96 H new ATOM 0 HE1 TYR A 100 9.410 18.799 -48.228 1.00 1.17 H new ATOM 0 HE2 TYR A 100 13.248 16.948 -48.103 1.00 1.15 H new ATOM 0 HH TYR A 100 11.416 18.555 -46.215 1.00 1.46 H new ATOM 1597 N ASP A 101 12.209 15.737 -53.566 1.00 0.66 N ATOM 1598 CA ASP A 101 13.495 16.232 -54.057 1.00 0.78 C ATOM 1599 C ASP A 101 13.328 17.505 -54.887 1.00 0.81 C ATOM 1600 O ASP A 101 14.154 18.415 -54.820 1.00 0.93 O ATOM 1601 CB ASP A 101 14.191 15.150 -54.885 1.00 0.88 C ATOM 1602 CG ASP A 101 15.405 15.665 -55.634 1.00 1.07 C ATOM 1603 OD1 ASP A 101 16.493 15.753 -55.029 1.00 1.23 O ATOM 1604 OD2 ASP A 101 15.275 15.965 -56.840 1.00 1.14 O ATOM 0 H ASP A 101 12.034 14.754 -53.775 1.00 0.66 H new ATOM 0 HA ASP A 101 14.111 16.478 -53.192 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.496 14.336 -54.227 1.00 0.88 H new ATOM 0 HB3 ASP A 101 13.480 14.733 -55.599 1.00 0.88 H new ATOM 1609 N LYS A 102 12.246 17.581 -55.651 1.00 0.75 N ATOM 1610 CA LYS A 102 11.975 18.761 -56.464 1.00 0.84 C ATOM 1611 C LYS A 102 11.426 19.887 -55.591 1.00 0.89 C ATOM 1612 O LYS A 102 11.735 21.063 -55.799 1.00 1.05 O ATOM 1613 CB LYS A 102 10.969 18.452 -57.587 1.00 0.88 C ATOM 1614 CG LYS A 102 11.437 17.432 -58.625 1.00 1.03 C ATOM 1615 CD LYS A 102 11.334 16.004 -58.110 1.00 1.09 C ATOM 1616 CE LYS A 102 11.438 14.980 -59.232 1.00 1.86 C ATOM 1617 NZ LYS A 102 12.769 14.989 -59.897 1.00 2.66 N ATOM 0 H LYS A 102 11.545 16.844 -55.725 1.00 0.75 H new ATOM 0 HA LYS A 102 12.916 19.071 -56.918 1.00 0.84 H new ATOM 0 HB2 LYS A 102 10.046 18.088 -57.135 1.00 0.88 H new ATOM 0 HB3 LYS A 102 10.727 19.382 -58.101 1.00 0.88 H new ATOM 0 HG2 LYS A 102 10.838 17.535 -59.530 1.00 1.03 H new ATOM 0 HG3 LYS A 102 12.470 17.644 -58.901 1.00 1.03 H new ATOM 0 HD2 LYS A 102 12.125 15.824 -57.382 1.00 1.09 H new ATOM 0 HD3 LYS A 102 10.385 15.875 -57.589 1.00 1.09 H new ATOM 0 HE2 LYS A 102 11.244 13.986 -58.830 1.00 1.86 H new ATOM 0 HE3 LYS A 102 10.665 15.180 -59.974 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 12.785 14.274 -60.652 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 12.946 15.928 -60.306 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 13.508 14.771 -59.198 1.00 2.66 H new ATOM 1631 N LEU A 103 10.638 19.510 -54.592 1.00 0.83 N ATOM 1632 CA LEU A 103 9.928 20.469 -53.750 1.00 0.97 C ATOM 1633 C LEU A 103 10.856 21.114 -52.722 1.00 1.12 C ATOM 1634 O LEU A 103 10.583 22.208 -52.226 1.00 1.31 O ATOM 1635 CB LEU A 103 8.769 19.776 -53.032 1.00 0.98 C ATOM 1636 CG LEU A 103 7.788 19.031 -53.941 1.00 0.91 C ATOM 1637 CD1 LEU A 103 6.703 18.365 -53.111 1.00 1.01 C ATOM 1638 CD2 LEU A 103 7.174 19.975 -54.965 1.00 1.00 C ATOM 0 H LEU A 103 10.472 18.535 -54.342 1.00 0.83 H new ATOM 0 HA LEU A 103 9.543 21.257 -54.398 1.00 0.97 H new ATOM 0 HB2 LEU A 103 9.180 19.069 -52.312 1.00 0.98 H new ATOM 0 HB3 LEU A 103 8.216 20.524 -52.464 1.00 0.98 H new ATOM 0 HG LEU A 103 8.338 18.259 -54.480 1.00 0.91 H new ATOM 0 HD11 LEU A 103 6.012 17.839 -53.770 1.00 1.01 H new ATOM 0 HD12 LEU A 103 7.158 17.655 -52.420 1.00 1.01 H new ATOM 0 HD13 LEU A 103 6.160 19.123 -52.547 1.00 1.01 H new ATOM 0 HD21 LEU A 103 6.481 19.423 -55.599 1.00 1.00 H new ATOM 0 HD22 LEU A 103 6.638 20.772 -54.450 1.00 1.00 H new ATOM 0 HD23 LEU A 103 7.963 20.407 -55.580 1.00 1.00 H new ATOM 1650 N LYS A 104 11.938 20.432 -52.385 1.00 1.09 N ATOM 1651 CA LYS A 104 12.906 20.983 -51.450 1.00 1.27 C ATOM 1652 C LYS A 104 13.850 21.945 -52.164 1.00 1.37 C ATOM 1653 O LYS A 104 14.302 22.930 -51.583 1.00 1.56 O ATOM 1654 CB LYS A 104 13.713 19.874 -50.775 1.00 1.32 C ATOM 1655 CG LYS A 104 14.543 19.056 -51.746 1.00 1.07 C ATOM 1656 CD LYS A 104 15.689 18.351 -51.051 1.00 1.22 C ATOM 1657 CE LYS A 104 16.616 17.703 -52.060 1.00 1.45 C ATOM 1658 NZ LYS A 104 17.848 17.185 -51.414 1.00 1.84 N ATOM 0 H LYS A 104 12.168 19.504 -52.741 1.00 1.09 H new ATOM 0 HA LYS A 104 12.354 21.526 -50.683 1.00 1.27 H new ATOM 0 HB2 LYS A 104 14.372 20.317 -50.029 1.00 1.32 H new ATOM 0 HB3 LYS A 104 13.031 19.211 -50.243 1.00 1.32 H new ATOM 0 HG2 LYS A 104 13.907 18.319 -52.237 1.00 1.07 H new ATOM 0 HG3 LYS A 104 14.937 19.707 -52.526 1.00 1.07 H new ATOM 0 HD2 LYS A 104 16.247 19.065 -50.445 1.00 1.22 H new ATOM 0 HD3 LYS A 104 15.297 17.594 -50.372 1.00 1.22 H new ATOM 0 HE2 LYS A 104 16.096 16.887 -52.561 1.00 1.45 H new ATOM 0 HE3 LYS A 104 16.884 18.429 -52.828 1.00 1.45 H new ATOM 0 HZ1 LYS A 104 18.460 16.748 -52.133 1.00 1.84 H new ATOM 0 HZ2 LYS A 104 18.356 17.969 -50.957 1.00 1.84 H new ATOM 0 HZ3 LYS A 104 17.593 16.474 -50.699 1.00 1.84 H new ATOM 1672 N SER A 105 14.130 21.654 -53.431 1.00 1.32 N ATOM 1673 CA SER A 105 15.011 22.487 -54.235 1.00 1.51 C ATOM 1674 C SER A 105 14.393 23.869 -54.425 1.00 1.66 C ATOM 1675 O SER A 105 15.076 24.891 -54.322 1.00 1.77 O ATOM 1676 CB SER A 105 15.271 21.816 -55.585 1.00 1.59 C ATOM 1677 OG SER A 105 15.810 20.514 -55.405 1.00 2.05 O ATOM 0 H SER A 105 13.756 20.842 -53.923 1.00 1.32 H new ATOM 0 HA SER A 105 15.964 22.607 -53.720 1.00 1.51 H new ATOM 0 HB2 SER A 105 14.341 21.755 -56.151 1.00 1.59 H new ATOM 0 HB3 SER A 105 15.961 22.423 -56.171 1.00 1.59 H new ATOM 0 HG SER A 105 15.105 19.909 -55.093 1.00 2.05 H new ATOM 1683 N LYS A 106 13.092 23.887 -54.678 1.00 1.79 N ATOM 1684 CA LYS A 106 12.346 25.134 -54.774 1.00 2.10 C ATOM 1685 C LYS A 106 10.864 24.880 -54.563 1.00 2.28 C ATOM 1686 O LYS A 106 10.421 23.734 -54.501 1.00 2.61 O ATOM 1687 CB LYS A 106 12.597 25.842 -56.118 1.00 2.43 C ATOM 1688 CG LYS A 106 12.210 25.037 -57.350 1.00 2.59 C ATOM 1689 CD LYS A 106 10.718 25.065 -57.625 1.00 2.88 C ATOM 1690 CE LYS A 106 10.349 24.195 -58.815 1.00 3.39 C ATOM 1691 NZ LYS A 106 8.890 24.240 -59.086 1.00 4.02 N ATOM 0 H LYS A 106 12.529 23.048 -54.821 1.00 1.79 H new ATOM 0 HA LYS A 106 12.701 25.799 -53.986 1.00 2.10 H new ATOM 0 HB2 LYS A 106 12.042 26.780 -56.126 1.00 2.43 H new ATOM 0 HB3 LYS A 106 13.655 26.096 -56.186 1.00 2.43 H new ATOM 0 HG2 LYS A 106 12.742 25.429 -58.217 1.00 2.59 H new ATOM 0 HG3 LYS A 106 12.532 24.004 -57.219 1.00 2.59 H new ATOM 0 HD2 LYS A 106 10.179 24.722 -56.742 1.00 2.88 H new ATOM 0 HD3 LYS A 106 10.402 26.091 -57.813 1.00 2.88 H new ATOM 0 HE2 LYS A 106 10.895 24.531 -59.697 1.00 3.39 H new ATOM 0 HE3 LYS A 106 10.654 23.166 -58.624 1.00 3.39 H new ATOM 0 HZ1 LYS A 106 8.645 23.513 -59.788 1.00 4.02 H new ATOM 0 HZ2 LYS A 106 8.368 24.061 -58.205 1.00 4.02 H new ATOM 0 HZ3 LYS A 106 8.634 25.178 -59.455 1.00 4.02 H new ATOM 1705 N GLY A 107 10.097 25.951 -54.508 1.00 2.51 N ATOM 1706 CA GLY A 107 8.694 25.840 -54.171 1.00 2.97 C ATOM 1707 C GLY A 107 7.786 26.212 -55.322 1.00 3.39 C ATOM 1708 O GLY A 107 6.616 25.831 -55.342 1.00 3.92 O ATOM 0 H GLY A 107 10.420 26.901 -54.691 1.00 2.51 H new ATOM 0 HA2 GLY A 107 8.479 24.818 -53.860 1.00 2.97 H new ATOM 0 HA3 GLY A 107 8.477 26.485 -53.319 1.00 2.97 H new ATOM 1712 N SER A 108 8.322 26.948 -56.285 1.00 3.41 N ATOM 1713 CA SER A 108 7.535 27.424 -57.416 1.00 4.00 C ATOM 1714 C SER A 108 8.445 27.738 -58.596 1.00 4.47 C ATOM 1715 O SER A 108 8.596 26.868 -59.474 1.00 4.98 O ATOM 1716 CB SER A 108 6.726 28.666 -57.026 1.00 4.21 C ATOM 1717 OG SER A 108 5.830 28.375 -55.967 1.00 4.39 O ATOM 1718 OXT SER A 108 9.029 28.837 -58.623 1.00 4.69 O ATOM 0 H SER A 108 9.302 27.230 -56.306 1.00 3.41 H new ATOM 0 HA SER A 108 6.840 26.637 -57.707 1.00 4.00 H new ATOM 0 HB2 SER A 108 7.403 29.466 -56.725 1.00 4.21 H new ATOM 0 HB3 SER A 108 6.169 29.028 -57.890 1.00 4.21 H new ATOM 0 HG SER A 108 5.326 29.182 -55.734 1.00 4.39 H new TER 1724 SER A 108