USER MOD reduce.3.24.130724 H: found=0, std=0, add=1018, rem=0, adj=46 USER MOD reduce.3.24.130724 removed 1016 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 122 TYR OH : rot 165:sc= 0.198 USER MOD Set 1.2: A 126 GLN : amide:sc= 0.215 K(o=0.41,f=-1.7) USER MOD Set 2.1: A 47 GLN :FLIP amide:sc= -1.9! C(o=-4.4!,f=-2.8!) USER MOD Set 2.2: A 100 MET CE :methyl -146:sc= -0.857 (180deg=-2.15!) USER MOD Set 3.1: A 56 GLN :FLIP amide:sc= -2.19 F(o=-3.2!,f=-2.5) USER MOD Set 3.2: A 57 TYR OH : rot 180:sc= -0.34 USER MOD Set 4.1: A 52 ASN : amide:sc= -2.93! C(o=-2.3!,f=-12!) USER MOD Set 4.2: A 54 THR OG1 : rot 98:sc= 0.806 USER MOD Set 4.3: A 59 MET CE :methyl 178:sc= -0.187 (180deg=-0.0984) USER MOD Set 5.1: A 44 LYS NZ :NH3+ -179:sc= -7.88! (180deg=-4.33!) USER MOD Set 5.2: A 45 LYS NZ :NH3+ -122:sc= -3.95! (180deg=-0.153) USER MOD Single : A 1 MET CE :methyl -154:sc= -0.18 (180deg=-1.32!) USER MOD Single : A 1 MET N :NH3+ -169:sc= 0 (180deg=-0.106) USER MOD Single : A 3 CYS SG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 SER OG : rot 180:sc= 0 USER MOD Single : A 9 ASN : amide:sc= -0.555 K(o=-0.56,f=-5.1!) USER MOD Single : A 10 SER OG : rot 180:sc= -0.41! USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 THR OG1 : rot 180:sc= 0 USER MOD Single : A 14 TYR OH : rot 180:sc= -0.592 USER MOD Single : A 16 ASN :FLIP amide:sc= -3.62! C(o=-6.4!,f=-3.6!) USER MOD Single : A 20 THR OG1 : rot -31:sc= 0.14 USER MOD Single : A 27 THR OG1 : rot 180:sc= -0.0166 USER MOD Single : A 28 LYS NZ :NH3+ -165:sc= -0.0114 (180deg=-0.202) USER MOD Single : A 32 LYS NZ :NH3+ -149:sc= -0.158 (180deg=-0.998) USER MOD Single : A 34 ASN : amide:sc= -0.362 X(o=-0.36,f=0) USER MOD Single : A 42 ASN : amide:sc= -3.63! C(o=-3.6!,f=-4.6!) USER MOD Single : A 43 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 LYS NZ :NH3+ -165:sc=-0.000914 (180deg=-0.0709) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 51 TYR OH : rot 151:sc= 0.677 USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 60 HIS : no HE2:sc= -4.08 K(o=-4.1,f=-8.9!) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 ASN : amide:sc= -0.242 X(o=-0.24,f=-0.28) USER MOD Single : A 69 CYS SG : rot -133:sc= -7.3! USER MOD Single : A 72 LYS NZ :NH3+ 155:sc= -0.153 (180deg=-1.18!) USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 THR OG1 : rot 130:sc= 0 USER MOD Single : A 78 LYS NZ :NH3+ -144:sc= -0.167 (180deg=-0.414) USER MOD Single : A 81 GLN : amide:sc= -1.53 K(o=-1.5,f=-3.6!) USER MOD Single : A 82 GLN :FLIP amide:sc= -1.05 F(o=-2.9,f=-1.1) USER MOD Single : A 84 ASN :FLIP amide:sc= -3.38 F(o=-12!,f=-3.4) USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 CYS SG : rot -45:sc= -0.0951 USER MOD Single : A 98 THR OG1 : rot -150:sc= -0.0414 USER MOD Single : A 107 ASN : amide:sc= 0.997 K(o=1,f=-0.71) USER MOD Single : A 110 LYS NZ :NH3+ 160:sc= -0.946 (180deg=-1.69) USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 LYS NZ :NH3+ -140:sc= -0.0254 (180deg=-0.498) USER MOD Single : A 113 MET CE :methyl 173:sc= -0.905 (180deg=-0.918) USER MOD Single : A 119 SER OG : rot 180:sc= 0 USER MOD Single : A 124 GLN : amide:sc= -4.57! C(o=-4.6!,f=-5.3!) USER MOD Single : A 125 HIS : no HE2:sc= -0.211 K(o=-0.21,f=-6.7!) USER MOD Single : A 129 LYS NZ :NH3+ 142:sc= -0.146 (180deg=-0.778) USER MOD Single : A 131 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -0.802 -33.339 4.381 1.00 0.00 N ATOM 2 CA MET A 1 -1.002 -32.576 3.117 1.00 0.00 C ATOM 3 C MET A 1 -0.257 -31.248 3.206 1.00 0.00 C ATOM 4 O MET A 1 0.390 -30.824 2.248 1.00 0.00 O ATOM 5 CB MET A 1 -2.496 -32.323 2.908 1.00 0.00 C ATOM 6 CG MET A 1 -2.727 -31.756 1.507 1.00 0.00 C ATOM 7 SD MET A 1 -4.454 -31.238 1.341 1.00 0.00 S ATOM 8 CE MET A 1 -5.203 -32.868 1.579 1.00 0.00 C ATOM 0 H1 MET A 1 -1.146 -34.312 4.257 1.00 0.00 H new ATOM 0 H2 MET A 1 0.210 -33.357 4.619 1.00 0.00 H new ATOM 0 H3 MET A 1 -1.330 -32.880 5.151 1.00 0.00 H new ATOM 0 HA MET A 1 -0.615 -33.149 2.275 1.00 0.00 H new ATOM 0 HB2 MET A 1 -3.054 -33.251 3.033 1.00 0.00 H new ATOM 0 HB3 MET A 1 -2.866 -31.626 3.660 1.00 0.00 H new ATOM 0 HG2 MET A 1 -2.064 -30.909 1.332 1.00 0.00 H new ATOM 0 HG3 MET A 1 -2.488 -32.508 0.755 1.00 0.00 H new ATOM 0 HE1 MET A 1 -6.173 -32.899 1.082 1.00 0.00 H new ATOM 0 HE2 MET A 1 -4.553 -33.633 1.154 1.00 0.00 H new ATOM 0 HE3 MET A 1 -5.335 -33.056 2.645 1.00 0.00 H new ATOM 18 N GLY A 2 -0.353 -30.597 4.360 1.00 0.00 N ATOM 19 CA GLY A 2 0.316 -29.316 4.561 1.00 0.00 C ATOM 20 C GLY A 2 1.831 -29.484 4.531 1.00 0.00 C ATOM 21 O GLY A 2 2.383 -30.357 5.201 1.00 0.00 O ATOM 0 H GLY A 2 -0.883 -30.931 5.165 1.00 0.00 H new ATOM 0 HA2 GLY A 2 0.008 -28.615 3.785 1.00 0.00 H new ATOM 0 HA3 GLY A 2 0.012 -28.888 5.516 1.00 0.00 H new ATOM 25 N CYS A 3 2.499 -28.641 3.750 1.00 0.00 N ATOM 26 CA CYS A 3 3.952 -28.705 3.640 1.00 0.00 C ATOM 27 C CYS A 3 4.606 -28.408 4.986 1.00 0.00 C ATOM 28 O CYS A 3 5.629 -28.996 5.333 1.00 0.00 O ATOM 29 CB CYS A 3 4.442 -27.697 2.599 1.00 0.00 C ATOM 30 SG CYS A 3 3.779 -28.138 0.974 1.00 0.00 S ATOM 0 H CYS A 3 2.062 -27.911 3.188 1.00 0.00 H new ATOM 0 HA CYS A 3 4.229 -29.712 3.329 1.00 0.00 H new ATOM 0 HB2 CYS A 3 4.123 -26.691 2.873 1.00 0.00 H new ATOM 0 HB3 CYS A 3 5.532 -27.689 2.569 1.00 0.00 H new ATOM 0 HG CYS A 3 4.193 -27.280 0.089 1.00 0.00 H new ATOM 36 N GLY A 4 4.006 -27.492 5.740 1.00 0.00 N ATOM 37 CA GLY A 4 4.538 -27.125 7.047 1.00 0.00 C ATOM 38 C GLY A 4 3.556 -26.241 7.806 1.00 0.00 C ATOM 39 O GLY A 4 2.372 -26.181 7.470 1.00 0.00 O ATOM 0 H GLY A 4 3.158 -26.994 5.471 1.00 0.00 H new ATOM 0 HA2 GLY A 4 4.745 -28.025 7.626 1.00 0.00 H new ATOM 0 HA3 GLY A 4 5.485 -26.600 6.924 1.00 0.00 H new ATOM 43 N ALA A 5 4.052 -25.556 8.830 1.00 0.00 N ATOM 44 CA ALA A 5 3.208 -24.677 9.631 1.00 0.00 C ATOM 45 C ALA A 5 2.458 -23.695 8.737 1.00 0.00 C ATOM 46 O ALA A 5 2.980 -23.250 7.714 1.00 0.00 O ATOM 47 CB ALA A 5 4.064 -23.904 10.636 1.00 0.00 C ATOM 0 H ALA A 5 5.028 -25.592 9.124 1.00 0.00 H new ATOM 0 HA ALA A 5 2.483 -25.289 10.167 1.00 0.00 H new ATOM 0 HB1 ALA A 5 3.426 -23.250 11.230 1.00 0.00 H new ATOM 0 HB2 ALA A 5 4.576 -24.606 11.294 1.00 0.00 H new ATOM 0 HB3 ALA A 5 4.801 -23.304 10.101 1.00 0.00 H new ATOM 53 N SER A 6 1.234 -23.361 9.130 1.00 0.00 N ATOM 54 CA SER A 6 0.422 -22.427 8.357 1.00 0.00 C ATOM 55 C SER A 6 1.108 -21.069 8.266 1.00 0.00 C ATOM 56 O SER A 6 0.905 -20.324 7.308 1.00 0.00 O ATOM 57 CB SER A 6 -0.951 -22.266 9.009 1.00 0.00 C ATOM 58 OG SER A 6 -0.801 -21.604 10.259 1.00 0.00 O ATOM 0 H SER A 6 0.784 -23.719 9.972 1.00 0.00 H new ATOM 0 HA SER A 6 0.300 -22.827 7.350 1.00 0.00 H new ATOM 0 HB2 SER A 6 -1.611 -21.693 8.358 1.00 0.00 H new ATOM 0 HB3 SER A 6 -1.415 -23.242 9.154 1.00 0.00 H new ATOM 0 HG SER A 6 -1.679 -21.497 10.680 1.00 0.00 H new ATOM 64 N SER A 7 1.921 -20.753 9.269 1.00 0.00 N ATOM 65 CA SER A 7 2.632 -19.480 9.292 1.00 0.00 C ATOM 66 C SER A 7 1.658 -18.320 9.113 1.00 0.00 C ATOM 67 O SER A 7 0.493 -18.521 8.772 1.00 0.00 O ATOM 68 CB SER A 7 3.678 -19.447 8.178 1.00 0.00 C ATOM 69 OG SER A 7 4.759 -20.303 8.524 1.00 0.00 O ATOM 0 H SER A 7 2.103 -21.356 10.071 1.00 0.00 H new ATOM 0 HA SER A 7 3.127 -19.378 10.258 1.00 0.00 H new ATOM 0 HB2 SER A 7 3.233 -19.767 7.236 1.00 0.00 H new ATOM 0 HB3 SER A 7 4.038 -18.429 8.031 1.00 0.00 H new ATOM 0 HG SER A 7 5.431 -20.286 7.811 1.00 0.00 H new ATOM 75 N GLU A 8 2.145 -17.105 9.345 1.00 0.00 N ATOM 76 CA GLU A 8 1.308 -15.919 9.206 1.00 0.00 C ATOM 77 C GLU A 8 0.785 -15.794 7.779 1.00 0.00 C ATOM 78 O GLU A 8 1.518 -16.025 6.818 1.00 0.00 O ATOM 79 CB GLU A 8 2.110 -14.667 9.568 1.00 0.00 C ATOM 80 CG GLU A 8 2.533 -14.740 11.037 1.00 0.00 C ATOM 81 CD GLU A 8 3.673 -15.740 11.203 1.00 0.00 C ATOM 82 OE1 GLU A 8 4.263 -16.108 10.200 1.00 0.00 O ATOM 83 OE2 GLU A 8 3.939 -16.124 12.330 1.00 0.00 O ATOM 0 H GLU A 8 3.107 -16.917 9.628 1.00 0.00 H new ATOM 0 HA GLU A 8 0.460 -16.016 9.884 1.00 0.00 H new ATOM 0 HB2 GLU A 8 2.989 -14.588 8.929 1.00 0.00 H new ATOM 0 HB3 GLU A 8 1.509 -13.774 9.395 1.00 0.00 H new ATOM 0 HG2 GLU A 8 2.849 -13.756 11.382 1.00 0.00 H new ATOM 0 HG3 GLU A 8 1.685 -15.037 11.654 1.00 0.00 H new ATOM 90 N ASN A 9 -0.487 -15.430 7.649 1.00 0.00 N ATOM 91 CA ASN A 9 -1.096 -15.276 6.333 1.00 0.00 C ATOM 92 C ASN A 9 -0.968 -13.835 5.848 1.00 0.00 C ATOM 93 O ASN A 9 -1.475 -13.482 4.783 1.00 0.00 O ATOM 94 CB ASN A 9 -2.574 -15.666 6.394 1.00 0.00 C ATOM 95 CG ASN A 9 -3.359 -14.619 7.176 1.00 0.00 C ATOM 96 OD1 ASN A 9 -2.777 -13.853 7.945 1.00 0.00 O ATOM 97 ND2 ASN A 9 -4.653 -14.539 7.026 1.00 0.00 N ATOM 0 H ASN A 9 -1.112 -15.238 8.432 1.00 0.00 H new ATOM 0 HA ASN A 9 -0.576 -15.930 5.633 1.00 0.00 H new ATOM 0 HB2 ASN A 9 -2.977 -15.755 5.385 1.00 0.00 H new ATOM 0 HB3 ASN A 9 -2.682 -16.642 6.868 1.00 0.00 H new ATOM 0 HD21 ASN A 9 -5.185 -13.841 7.546 1.00 0.00 H new ATOM 0 HD22 ASN A 9 -5.133 -15.174 6.389 1.00 0.00 H new ATOM 104 N SER A 10 -0.290 -13.009 6.636 1.00 0.00 N ATOM 105 CA SER A 10 -0.103 -11.608 6.277 1.00 0.00 C ATOM 106 C SER A 10 0.679 -11.488 4.972 1.00 0.00 C ATOM 107 O SER A 10 0.147 -11.033 3.959 1.00 0.00 O ATOM 108 CB SER A 10 0.648 -10.878 7.392 1.00 0.00 C ATOM 109 OG SER A 10 1.981 -11.369 7.458 1.00 0.00 O ATOM 0 H SER A 10 0.137 -13.282 7.521 1.00 0.00 H new ATOM 0 HA SER A 10 -1.085 -11.154 6.142 1.00 0.00 H new ATOM 0 HB2 SER A 10 0.652 -9.805 7.202 1.00 0.00 H new ATOM 0 HB3 SER A 10 0.144 -11.030 8.346 1.00 0.00 H new ATOM 0 HG SER A 10 2.467 -10.903 8.170 1.00 0.00 H new ATOM 115 N SER A 11 1.942 -11.899 5.005 1.00 0.00 N ATOM 116 CA SER A 11 2.788 -11.831 3.820 1.00 0.00 C ATOM 117 C SER A 11 2.540 -10.533 3.059 1.00 0.00 C ATOM 118 O SER A 11 1.992 -9.576 3.607 1.00 0.00 O ATOM 119 CB SER A 11 2.505 -13.023 2.905 1.00 0.00 C ATOM 120 OG SER A 11 2.462 -14.211 3.683 1.00 0.00 O ATOM 0 H SER A 11 2.400 -12.280 5.833 1.00 0.00 H new ATOM 0 HA SER A 11 3.830 -11.859 4.139 1.00 0.00 H new ATOM 0 HB2 SER A 11 1.558 -12.880 2.385 1.00 0.00 H new ATOM 0 HB3 SER A 11 3.279 -13.102 2.142 1.00 0.00 H new ATOM 0 HG SER A 11 2.279 -14.977 3.100 1.00 0.00 H new ATOM 126 N VAL A 12 2.945 -10.507 1.793 1.00 0.00 N ATOM 127 CA VAL A 12 2.761 -9.320 0.967 1.00 0.00 C ATOM 128 C VAL A 12 2.187 -9.700 -0.395 1.00 0.00 C ATOM 129 O VAL A 12 2.576 -10.709 -0.983 1.00 0.00 O ATOM 130 CB VAL A 12 4.097 -8.602 0.777 1.00 0.00 C ATOM 131 CG1 VAL A 12 3.856 -7.227 0.151 1.00 0.00 C ATOM 132 CG2 VAL A 12 4.779 -8.430 2.137 1.00 0.00 C ATOM 0 H VAL A 12 3.399 -11.288 1.320 1.00 0.00 H new ATOM 0 HA VAL A 12 2.061 -8.654 1.472 1.00 0.00 H new ATOM 0 HB VAL A 12 4.736 -9.192 0.120 1.00 0.00 H new ATOM 0 HG11 VAL A 12 4.810 -6.716 0.016 1.00 0.00 H new ATOM 0 HG12 VAL A 12 3.369 -7.348 -0.817 1.00 0.00 H new ATOM 0 HG13 VAL A 12 3.217 -6.636 0.807 1.00 0.00 H new ATOM 0 HG21 VAL A 12 5.732 -7.918 2.004 1.00 0.00 H new ATOM 0 HG22 VAL A 12 4.139 -7.840 2.793 1.00 0.00 H new ATOM 0 HG23 VAL A 12 4.952 -9.409 2.584 1.00 0.00 H new ATOM 142 N THR A 13 1.261 -8.885 -0.890 1.00 0.00 N ATOM 143 CA THR A 13 0.644 -9.145 -2.186 1.00 0.00 C ATOM 144 C THR A 13 0.628 -7.880 -3.037 1.00 0.00 C ATOM 145 O THR A 13 0.593 -6.767 -2.512 1.00 0.00 O ATOM 146 CB THR A 13 -0.788 -9.648 -1.990 1.00 0.00 C ATOM 147 OG1 THR A 13 -1.289 -10.134 -3.228 1.00 0.00 O ATOM 148 CG2 THR A 13 -1.669 -8.503 -1.494 1.00 0.00 C ATOM 0 H THR A 13 0.924 -8.046 -0.418 1.00 0.00 H new ATOM 0 HA THR A 13 1.231 -9.907 -2.700 1.00 0.00 H new ATOM 0 HB THR A 13 -0.795 -10.452 -1.254 1.00 0.00 H new ATOM 0 HG1 THR A 13 -2.206 -10.458 -3.105 1.00 0.00 H new ATOM 0 HG21 THR A 13 -2.689 -8.862 -1.355 1.00 0.00 H new ATOM 0 HG22 THR A 13 -1.283 -8.131 -0.545 1.00 0.00 H new ATOM 0 HG23 THR A 13 -1.665 -7.697 -2.228 1.00 0.00 H new ATOM 156 N TYR A 14 0.650 -8.059 -4.353 1.00 0.00 N ATOM 157 CA TYR A 14 0.633 -6.925 -5.271 1.00 0.00 C ATOM 158 C TYR A 14 -0.448 -7.115 -6.331 1.00 0.00 C ATOM 159 O TYR A 14 -1.043 -8.188 -6.439 1.00 0.00 O ATOM 160 CB TYR A 14 1.996 -6.780 -5.949 1.00 0.00 C ATOM 161 CG TYR A 14 3.015 -6.314 -4.938 1.00 0.00 C ATOM 162 CD1 TYR A 14 2.956 -5.010 -4.434 1.00 0.00 C ATOM 163 CD2 TYR A 14 4.019 -7.187 -4.503 1.00 0.00 C ATOM 164 CE1 TYR A 14 3.901 -4.577 -3.496 1.00 0.00 C ATOM 165 CE2 TYR A 14 4.965 -6.755 -3.564 1.00 0.00 C ATOM 166 CZ TYR A 14 4.906 -5.450 -3.061 1.00 0.00 C ATOM 167 OH TYR A 14 5.837 -5.025 -2.136 1.00 0.00 O ATOM 0 H TYR A 14 0.679 -8.972 -4.806 1.00 0.00 H new ATOM 0 HA TYR A 14 0.415 -6.022 -4.701 1.00 0.00 H new ATOM 0 HB2 TYR A 14 2.304 -7.734 -6.378 1.00 0.00 H new ATOM 0 HB3 TYR A 14 1.931 -6.067 -6.771 1.00 0.00 H new ATOM 0 HD1 TYR A 14 2.181 -4.337 -4.769 1.00 0.00 H new ATOM 0 HD2 TYR A 14 4.064 -8.194 -4.891 1.00 0.00 H new ATOM 0 HE1 TYR A 14 3.855 -3.570 -3.108 1.00 0.00 H new ATOM 0 HE2 TYR A 14 5.740 -7.429 -3.228 1.00 0.00 H new ATOM 0 HH TYR A 14 6.462 -5.754 -1.943 1.00 0.00 H new ATOM 177 N VAL A 15 -0.698 -6.068 -7.109 1.00 0.00 N ATOM 178 CA VAL A 15 -1.720 -6.129 -8.147 1.00 0.00 C ATOM 179 C VAL A 15 -1.245 -5.422 -9.413 1.00 0.00 C ATOM 180 O VAL A 15 -1.170 -6.026 -10.482 1.00 0.00 O ATOM 181 CB VAL A 15 -3.009 -5.474 -7.648 1.00 0.00 C ATOM 182 CG1 VAL A 15 -2.674 -4.436 -6.575 1.00 0.00 C ATOM 183 CG2 VAL A 15 -3.715 -4.784 -8.818 1.00 0.00 C ATOM 0 H VAL A 15 -0.212 -5.174 -7.042 1.00 0.00 H new ATOM 0 HA VAL A 15 -1.910 -7.176 -8.381 1.00 0.00 H new ATOM 0 HB VAL A 15 -3.662 -6.237 -7.224 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -3.593 -3.970 -6.220 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -2.169 -4.924 -5.741 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -2.020 -3.673 -6.998 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -4.634 -4.317 -8.464 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -3.060 -4.022 -9.240 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -3.955 -5.521 -9.584 1.00 0.00 H new ATOM 193 N ASN A 16 -0.927 -4.138 -9.282 1.00 0.00 N ATOM 194 CA ASN A 16 -0.480 -3.352 -10.427 1.00 0.00 C ATOM 195 C ASN A 16 0.840 -3.893 -10.968 1.00 0.00 C ATOM 196 O ASN A 16 1.131 -3.768 -12.158 1.00 0.00 O ATOM 197 CB ASN A 16 -0.306 -1.889 -10.019 1.00 0.00 C ATOM 198 CG ASN A 16 -1.668 -1.252 -9.768 1.00 0.00 C ATOM 199 OD1 ASN A 16 -1.950 -0.781 -8.584 1.00 0.00 O flip ATOM 200 ND2 ASN A 16 -2.498 -1.181 -10.675 1.00 0.00 N flip ATOM 0 H ASN A 16 -0.970 -3.623 -8.403 1.00 0.00 H new ATOM 0 HA ASN A 16 -1.235 -3.423 -11.210 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.306 -1.824 -9.120 1.00 0.00 H new ATOM 0 HB3 ASN A 16 0.220 -1.344 -10.803 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -2.276 -1.550 -11.600 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -3.408 -0.753 -10.502 1.00 0.00 H new ATOM 207 N GLY A 17 1.635 -4.492 -10.088 1.00 0.00 N ATOM 208 CA GLY A 17 2.920 -5.049 -10.490 1.00 0.00 C ATOM 209 C GLY A 17 3.794 -5.336 -9.275 1.00 0.00 C ATOM 210 O GLY A 17 3.453 -4.966 -8.152 1.00 0.00 O ATOM 0 H GLY A 17 1.414 -4.604 -9.099 1.00 0.00 H new ATOM 0 HA2 GLY A 17 2.762 -5.968 -11.054 1.00 0.00 H new ATOM 0 HA3 GLY A 17 3.431 -4.352 -11.154 1.00 0.00 H new ATOM 214 N ARG A 18 4.923 -5.999 -9.507 1.00 0.00 N ATOM 215 CA ARG A 18 5.839 -6.332 -8.422 1.00 0.00 C ATOM 216 C ARG A 18 6.924 -5.268 -8.293 1.00 0.00 C ATOM 217 O ARG A 18 7.306 -4.633 -9.275 1.00 0.00 O ATOM 218 CB ARG A 18 6.484 -7.694 -8.683 1.00 0.00 C ATOM 219 CG ARG A 18 5.398 -8.717 -9.022 1.00 0.00 C ATOM 220 CD ARG A 18 4.775 -9.248 -7.730 1.00 0.00 C ATOM 221 NE ARG A 18 5.797 -9.866 -6.893 1.00 0.00 N ATOM 222 CZ ARG A 18 6.263 -11.082 -7.162 1.00 0.00 C ATOM 223 NH1 ARG A 18 5.806 -11.743 -8.190 1.00 0.00 N ATOM 224 NH2 ARG A 18 7.177 -11.614 -6.398 1.00 0.00 N ATOM 0 H ARG A 18 5.224 -6.314 -10.429 1.00 0.00 H new ATOM 0 HA ARG A 18 5.273 -6.372 -7.491 1.00 0.00 H new ATOM 0 HB2 ARG A 18 7.197 -7.619 -9.504 1.00 0.00 H new ATOM 0 HB3 ARG A 18 7.042 -8.018 -7.805 1.00 0.00 H new ATOM 0 HG2 ARG A 18 4.631 -8.256 -9.645 1.00 0.00 H new ATOM 0 HG3 ARG A 18 5.825 -9.539 -9.597 1.00 0.00 H new ATOM 0 HD2 ARG A 18 4.295 -8.433 -7.188 1.00 0.00 H new ATOM 0 HD3 ARG A 18 3.998 -9.976 -7.965 1.00 0.00 H new ATOM 0 HE ARG A 18 6.161 -9.357 -6.087 1.00 0.00 H new ATOM 0 HH11 ARG A 18 5.091 -11.327 -8.787 1.00 0.00 H new ATOM 0 HH12 ARG A 18 6.163 -12.676 -8.396 1.00 0.00 H new ATOM 0 HH21 ARG A 18 7.534 -11.097 -5.594 1.00 0.00 H new ATOM 0 HH22 ARG A 18 7.534 -12.547 -6.604 1.00 0.00 H new ATOM 238 N PRO A 19 7.418 -5.066 -7.102 1.00 0.00 N ATOM 239 CA PRO A 19 8.498 -4.076 -6.832 1.00 0.00 C ATOM 240 C PRO A 19 9.870 -4.587 -7.264 1.00 0.00 C ATOM 241 O PRO A 19 10.204 -5.753 -7.054 1.00 0.00 O ATOM 242 CB PRO A 19 8.437 -3.882 -5.317 1.00 0.00 C ATOM 243 CG PRO A 19 7.902 -5.166 -4.772 1.00 0.00 C ATOM 244 CD PRO A 19 6.996 -5.769 -5.850 1.00 0.00 C ATOM 0 HA PRO A 19 8.356 -3.151 -7.391 1.00 0.00 H new ATOM 0 HB2 PRO A 19 9.424 -3.663 -4.909 1.00 0.00 H new ATOM 0 HB3 PRO A 19 7.791 -3.044 -5.054 1.00 0.00 H new ATOM 0 HG2 PRO A 19 8.715 -5.849 -4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 19 7.343 -4.991 -3.853 1.00 0.00 H new ATOM 0 HD2 PRO A 19 7.133 -6.847 -5.931 1.00 0.00 H new ATOM 0 HD3 PRO A 19 5.942 -5.597 -5.630 1.00 0.00 H new ATOM 252 N THR A 20 10.661 -3.705 -7.867 1.00 0.00 N ATOM 253 CA THR A 20 11.995 -4.076 -8.323 1.00 0.00 C ATOM 254 C THR A 20 12.969 -4.122 -7.151 1.00 0.00 C ATOM 255 O THR A 20 14.075 -4.650 -7.268 1.00 0.00 O ATOM 256 CB THR A 20 12.491 -3.068 -9.362 1.00 0.00 C ATOM 257 OG1 THR A 20 13.698 -3.543 -9.942 1.00 0.00 O ATOM 258 CG2 THR A 20 12.742 -1.719 -8.688 1.00 0.00 C ATOM 0 H THR A 20 10.403 -2.735 -8.050 1.00 0.00 H new ATOM 0 HA THR A 20 11.941 -5.067 -8.775 1.00 0.00 H new ATOM 0 HB THR A 20 11.737 -2.947 -10.140 1.00 0.00 H new ATOM 0 HG1 THR A 20 14.191 -4.075 -9.282 1.00 0.00 H new ATOM 0 HG21 THR A 20 13.095 -1.002 -9.429 1.00 0.00 H new ATOM 0 HG22 THR A 20 11.815 -1.356 -8.245 1.00 0.00 H new ATOM 0 HG23 THR A 20 13.495 -1.836 -7.909 1.00 0.00 H new ATOM 266 N PHE A 21 12.550 -3.565 -6.019 1.00 0.00 N ATOM 267 CA PHE A 21 13.392 -3.547 -4.828 1.00 0.00 C ATOM 268 C PHE A 21 12.765 -4.385 -3.718 1.00 0.00 C ATOM 269 O PHE A 21 11.585 -4.233 -3.404 1.00 0.00 O ATOM 270 CB PHE A 21 13.578 -2.108 -4.342 1.00 0.00 C ATOM 271 CG PHE A 21 14.516 -2.093 -3.159 1.00 0.00 C ATOM 272 CD1 PHE A 21 15.900 -2.069 -3.365 1.00 0.00 C ATOM 273 CD2 PHE A 21 14.002 -2.101 -1.857 1.00 0.00 C ATOM 274 CE1 PHE A 21 16.771 -2.055 -2.268 1.00 0.00 C ATOM 275 CE2 PHE A 21 14.872 -2.086 -0.761 1.00 0.00 C ATOM 276 CZ PHE A 21 16.257 -2.064 -0.966 1.00 0.00 C ATOM 0 H PHE A 21 11.638 -3.123 -5.901 1.00 0.00 H new ATOM 0 HA PHE A 21 14.363 -3.971 -5.084 1.00 0.00 H new ATOM 0 HB2 PHE A 21 13.979 -1.491 -5.146 1.00 0.00 H new ATOM 0 HB3 PHE A 21 12.615 -1.680 -4.062 1.00 0.00 H new ATOM 0 HD1 PHE A 21 16.296 -2.061 -4.370 1.00 0.00 H new ATOM 0 HD2 PHE A 21 12.934 -2.119 -1.698 1.00 0.00 H new ATOM 0 HE1 PHE A 21 17.839 -2.037 -2.427 1.00 0.00 H new ATOM 0 HE2 PHE A 21 14.475 -2.091 0.243 1.00 0.00 H new ATOM 0 HZ PHE A 21 16.928 -2.054 -0.120 1.00 0.00 H new ATOM 286 N VAL A 22 13.563 -5.270 -3.128 1.00 0.00 N ATOM 287 CA VAL A 22 13.073 -6.130 -2.056 1.00 0.00 C ATOM 288 C VAL A 22 14.069 -6.167 -0.902 1.00 0.00 C ATOM 289 O VAL A 22 15.236 -6.509 -1.087 1.00 0.00 O ATOM 290 CB VAL A 22 12.849 -7.548 -2.585 1.00 0.00 C ATOM 291 CG1 VAL A 22 11.744 -8.228 -1.776 1.00 0.00 C ATOM 292 CG2 VAL A 22 12.436 -7.483 -4.057 1.00 0.00 C ATOM 0 H VAL A 22 14.544 -5.410 -3.371 1.00 0.00 H new ATOM 0 HA VAL A 22 12.128 -5.725 -1.693 1.00 0.00 H new ATOM 0 HB VAL A 22 13.772 -8.120 -2.490 1.00 0.00 H new ATOM 0 HG11 VAL A 22 11.585 -9.238 -2.154 1.00 0.00 H new ATOM 0 HG12 VAL A 22 12.037 -8.275 -0.727 1.00 0.00 H new ATOM 0 HG13 VAL A 22 10.821 -7.657 -1.869 1.00 0.00 H new ATOM 0 HG21 VAL A 22 12.276 -8.493 -4.435 1.00 0.00 H new ATOM 0 HG22 VAL A 22 11.514 -6.910 -4.151 1.00 0.00 H new ATOM 0 HG23 VAL A 22 13.224 -7.000 -4.635 1.00 0.00 H new ATOM 302 N GLY A 23 13.600 -5.812 0.290 1.00 0.00 N ATOM 303 CA GLY A 23 14.458 -5.807 1.468 1.00 0.00 C ATOM 304 C GLY A 23 14.183 -7.022 2.348 1.00 0.00 C ATOM 305 O GLY A 23 14.578 -8.140 2.020 1.00 0.00 O ATOM 0 H GLY A 23 12.637 -5.526 0.465 1.00 0.00 H new ATOM 0 HA2 GLY A 23 15.504 -5.805 1.161 1.00 0.00 H new ATOM 0 HA3 GLY A 23 14.292 -4.894 2.040 1.00 0.00 H new ATOM 309 N GLU A 24 13.503 -6.792 3.467 1.00 0.00 N ATOM 310 CA GLU A 24 13.176 -7.879 4.385 1.00 0.00 C ATOM 311 C GLU A 24 11.851 -7.605 5.089 1.00 0.00 C ATOM 312 O GLU A 24 10.934 -8.425 5.051 1.00 0.00 O ATOM 313 CB GLU A 24 14.286 -8.036 5.424 1.00 0.00 C ATOM 314 CG GLU A 24 14.030 -9.291 6.260 1.00 0.00 C ATOM 315 CD GLU A 24 15.112 -9.440 7.323 1.00 0.00 C ATOM 316 OE1 GLU A 24 16.036 -8.643 7.315 1.00 0.00 O ATOM 317 OE2 GLU A 24 15.002 -10.350 8.130 1.00 0.00 O ATOM 0 H GLU A 24 13.170 -5.873 3.759 1.00 0.00 H new ATOM 0 HA GLU A 24 13.085 -8.801 3.810 1.00 0.00 H new ATOM 0 HB2 GLU A 24 15.254 -8.108 4.929 1.00 0.00 H new ATOM 0 HB3 GLU A 24 14.322 -7.158 6.069 1.00 0.00 H new ATOM 0 HG2 GLU A 24 13.050 -9.229 6.733 1.00 0.00 H new ATOM 0 HG3 GLU A 24 14.018 -10.170 5.616 1.00 0.00 H new ATOM 324 N GLU A 25 11.757 -6.445 5.733 1.00 0.00 N ATOM 325 CA GLU A 25 10.534 -6.067 6.431 1.00 0.00 C ATOM 326 C GLU A 25 9.654 -5.198 5.539 1.00 0.00 C ATOM 327 O GLU A 25 10.105 -4.187 5.002 1.00 0.00 O ATOM 328 CB GLU A 25 10.878 -5.303 7.711 1.00 0.00 C ATOM 329 CG GLU A 25 9.612 -5.112 8.548 1.00 0.00 C ATOM 330 CD GLU A 25 9.138 -6.456 9.090 1.00 0.00 C ATOM 331 OE1 GLU A 25 9.964 -7.345 9.219 1.00 0.00 O ATOM 332 OE2 GLU A 25 7.956 -6.576 9.368 1.00 0.00 O ATOM 0 H GLU A 25 12.507 -5.756 5.786 1.00 0.00 H new ATOM 0 HA GLU A 25 9.988 -6.976 6.686 1.00 0.00 H new ATOM 0 HB2 GLU A 25 11.626 -5.851 8.284 1.00 0.00 H new ATOM 0 HB3 GLU A 25 11.312 -4.334 7.463 1.00 0.00 H new ATOM 0 HG2 GLU A 25 9.811 -4.428 9.373 1.00 0.00 H new ATOM 0 HG3 GLU A 25 8.829 -4.659 7.940 1.00 0.00 H new ATOM 339 N VAL A 26 8.396 -5.600 5.386 1.00 0.00 N ATOM 340 CA VAL A 26 7.462 -4.851 4.554 1.00 0.00 C ATOM 341 C VAL A 26 6.284 -4.354 5.384 1.00 0.00 C ATOM 342 O VAL A 26 5.744 -5.085 6.214 1.00 0.00 O ATOM 343 CB VAL A 26 6.950 -5.736 3.416 1.00 0.00 C ATOM 344 CG1 VAL A 26 6.321 -4.861 2.331 1.00 0.00 C ATOM 345 CG2 VAL A 26 8.118 -6.525 2.820 1.00 0.00 C ATOM 0 H VAL A 26 8.003 -6.433 5.823 1.00 0.00 H new ATOM 0 HA VAL A 26 7.986 -3.991 4.137 1.00 0.00 H new ATOM 0 HB VAL A 26 6.202 -6.428 3.803 1.00 0.00 H new ATOM 0 HG11 VAL A 26 5.956 -5.492 1.521 1.00 0.00 H new ATOM 0 HG12 VAL A 26 5.489 -4.298 2.754 1.00 0.00 H new ATOM 0 HG13 VAL A 26 7.068 -4.168 1.944 1.00 0.00 H new ATOM 0 HG21 VAL A 26 7.755 -7.156 2.009 1.00 0.00 H new ATOM 0 HG22 VAL A 26 8.866 -5.832 2.434 1.00 0.00 H new ATOM 0 HG23 VAL A 26 8.567 -7.150 3.592 1.00 0.00 H new ATOM 355 N THR A 27 5.891 -3.105 5.155 1.00 0.00 N ATOM 356 CA THR A 27 4.785 -2.513 5.899 1.00 0.00 C ATOM 357 C THR A 27 3.964 -1.597 4.997 1.00 0.00 C ATOM 358 O THR A 27 4.517 -0.806 4.232 1.00 0.00 O ATOM 359 CB THR A 27 5.323 -1.715 7.087 1.00 0.00 C ATOM 360 OG1 THR A 27 6.613 -2.196 7.434 1.00 0.00 O ATOM 361 CG2 THR A 27 4.379 -1.874 8.281 1.00 0.00 C ATOM 0 H THR A 27 6.318 -2.487 4.465 1.00 0.00 H new ATOM 0 HA THR A 27 4.144 -3.316 6.263 1.00 0.00 H new ATOM 0 HB THR A 27 5.389 -0.661 6.817 1.00 0.00 H new ATOM 0 HG1 THR A 27 6.959 -1.684 8.194 1.00 0.00 H new ATOM 0 HG21 THR A 27 4.764 -1.305 9.127 1.00 0.00 H new ATOM 0 HG22 THR A 27 3.389 -1.503 8.014 1.00 0.00 H new ATOM 0 HG23 THR A 27 4.311 -2.927 8.553 1.00 0.00 H new ATOM 369 N LYS A 28 2.643 -1.710 5.090 1.00 0.00 N ATOM 370 CA LYS A 28 1.758 -0.889 4.272 1.00 0.00 C ATOM 371 C LYS A 28 1.488 0.448 4.954 1.00 0.00 C ATOM 372 O LYS A 28 0.809 0.508 5.979 1.00 0.00 O ATOM 373 CB LYS A 28 0.436 -1.621 4.036 1.00 0.00 C ATOM 374 CG LYS A 28 0.038 -2.379 5.304 1.00 0.00 C ATOM 375 CD LYS A 28 0.510 -3.831 5.200 1.00 0.00 C ATOM 376 CE LYS A 28 0.200 -4.563 6.506 1.00 0.00 C ATOM 377 NZ LYS A 28 1.135 -4.099 7.571 1.00 0.00 N ATOM 0 H LYS A 28 2.165 -2.356 5.718 1.00 0.00 H new ATOM 0 HA LYS A 28 2.245 -0.704 3.315 1.00 0.00 H new ATOM 0 HB2 LYS A 28 -0.343 -0.908 3.766 1.00 0.00 H new ATOM 0 HB3 LYS A 28 0.536 -2.315 3.201 1.00 0.00 H new ATOM 0 HG2 LYS A 28 0.481 -1.903 6.179 1.00 0.00 H new ATOM 0 HG3 LYS A 28 -1.043 -2.346 5.436 1.00 0.00 H new ATOM 0 HD2 LYS A 28 0.013 -4.327 4.366 1.00 0.00 H new ATOM 0 HD3 LYS A 28 1.581 -3.863 4.998 1.00 0.00 H new ATOM 0 HE2 LYS A 28 -0.831 -4.374 6.805 1.00 0.00 H new ATOM 0 HE3 LYS A 28 0.299 -5.639 6.364 1.00 0.00 H new ATOM 0 HZ1 LYS A 28 1.102 -4.760 8.374 1.00 0.00 H new ATOM 0 HZ2 LYS A 28 2.103 -4.063 7.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 28 0.853 -3.151 7.891 1.00 0.00 H new ATOM 391 N GLY A 29 2.024 1.520 4.377 1.00 0.00 N ATOM 392 CA GLY A 29 1.831 2.853 4.935 1.00 0.00 C ATOM 393 C GLY A 29 0.348 3.149 5.138 1.00 0.00 C ATOM 394 O GLY A 29 -0.071 3.560 6.220 1.00 0.00 O ATOM 0 H GLY A 29 2.591 1.492 3.530 1.00 0.00 H new ATOM 0 HA2 GLY A 29 2.355 2.932 5.887 1.00 0.00 H new ATOM 0 HA3 GLY A 29 2.267 3.597 4.268 1.00 0.00 H new ATOM 398 N PHE A 30 -0.440 2.938 4.089 1.00 0.00 N ATOM 399 CA PHE A 30 -1.877 3.174 4.166 1.00 0.00 C ATOM 400 C PHE A 30 -2.603 1.916 4.634 1.00 0.00 C ATOM 401 O PHE A 30 -2.374 0.825 4.111 1.00 0.00 O ATOM 402 CB PHE A 30 -2.412 3.594 2.797 1.00 0.00 C ATOM 403 CG PHE A 30 -1.773 4.899 2.386 1.00 0.00 C ATOM 404 CD1 PHE A 30 -2.326 6.114 2.810 1.00 0.00 C ATOM 405 CD2 PHE A 30 -0.628 4.895 1.582 1.00 0.00 C ATOM 406 CE1 PHE A 30 -1.733 7.324 2.431 1.00 0.00 C ATOM 407 CE2 PHE A 30 -0.035 6.105 1.201 1.00 0.00 C ATOM 408 CZ PHE A 30 -0.589 7.320 1.625 1.00 0.00 C ATOM 0 H PHE A 30 -0.111 2.607 3.182 1.00 0.00 H new ATOM 0 HA PHE A 30 -2.056 3.972 4.886 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -2.196 2.822 2.058 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -3.496 3.704 2.836 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -3.210 6.117 3.430 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -0.201 3.958 1.255 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -2.158 8.260 2.761 1.00 0.00 H new ATOM 0 HE2 PHE A 30 0.849 6.102 0.581 1.00 0.00 H new ATOM 0 HZ PHE A 30 -0.133 8.254 1.330 1.00 0.00 H new ATOM 418 N GLU A 31 -3.476 2.076 5.622 1.00 0.00 N ATOM 419 CA GLU A 31 -4.235 0.948 6.149 1.00 0.00 C ATOM 420 C GLU A 31 -5.545 0.780 5.386 1.00 0.00 C ATOM 421 O GLU A 31 -6.457 0.091 5.844 1.00 0.00 O ATOM 422 CB GLU A 31 -4.531 1.167 7.634 1.00 0.00 C ATOM 423 CG GLU A 31 -3.215 1.276 8.406 1.00 0.00 C ATOM 424 CD GLU A 31 -3.497 1.423 9.898 1.00 0.00 C ATOM 425 OE1 GLU A 31 -4.647 1.634 10.245 1.00 0.00 O ATOM 426 OE2 GLU A 31 -2.558 1.321 10.671 1.00 0.00 O ATOM 0 H GLU A 31 -3.675 2.970 6.072 1.00 0.00 H new ATOM 0 HA GLU A 31 -3.639 0.044 6.027 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -5.120 2.074 7.768 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -5.126 0.340 8.023 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -2.605 0.390 8.228 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -2.644 2.133 8.049 1.00 0.00 H new ATOM 433 N LYS A 32 -5.632 1.413 4.220 1.00 0.00 N ATOM 434 CA LYS A 32 -6.837 1.331 3.405 1.00 0.00 C ATOM 435 C LYS A 32 -6.535 0.662 2.067 1.00 0.00 C ATOM 436 O LYS A 32 -5.429 0.779 1.540 1.00 0.00 O ATOM 437 CB LYS A 32 -7.400 2.732 3.162 1.00 0.00 C ATOM 438 CG LYS A 32 -8.822 2.623 2.607 1.00 0.00 C ATOM 439 CD LYS A 32 -9.795 2.337 3.753 1.00 0.00 C ATOM 440 CE LYS A 32 -11.227 2.601 3.284 1.00 0.00 C ATOM 441 NZ LYS A 32 -11.384 4.046 2.957 1.00 0.00 N ATOM 0 H LYS A 32 -4.887 1.985 3.821 1.00 0.00 H new ATOM 0 HA LYS A 32 -7.574 0.732 3.940 1.00 0.00 H new ATOM 0 HB2 LYS A 32 -7.404 3.300 4.092 1.00 0.00 H new ATOM 0 HB3 LYS A 32 -6.765 3.274 2.461 1.00 0.00 H new ATOM 0 HG2 LYS A 32 -9.099 3.549 2.103 1.00 0.00 H new ATOM 0 HG3 LYS A 32 -8.874 1.827 1.864 1.00 0.00 H new ATOM 0 HD2 LYS A 32 -9.693 1.303 4.081 1.00 0.00 H new ATOM 0 HD3 LYS A 32 -9.560 2.968 4.610 1.00 0.00 H new ATOM 0 HE2 LYS A 32 -11.452 1.992 2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 32 -11.935 2.314 4.062 1.00 0.00 H new ATOM 0 HZ1 LYS A 32 -12.363 4.341 3.149 1.00 0.00 H new ATOM 0 HZ2 LYS A 32 -10.732 4.607 3.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 32 -11.167 4.200 1.952 1.00 0.00 H new ATOM 455 N ASP A 33 -7.526 -0.039 1.524 1.00 0.00 N ATOM 456 CA ASP A 33 -7.356 -0.715 0.243 1.00 0.00 C ATOM 457 C ASP A 33 -6.219 -1.728 0.320 1.00 0.00 C ATOM 458 O ASP A 33 -5.841 -2.171 1.405 1.00 0.00 O ATOM 459 CB ASP A 33 -7.057 0.311 -0.852 1.00 0.00 C ATOM 460 CG ASP A 33 -8.183 1.334 -0.930 1.00 0.00 C ATOM 461 OD1 ASP A 33 -9.273 1.022 -0.480 1.00 0.00 O ATOM 462 OD2 ASP A 33 -7.939 2.416 -1.439 1.00 0.00 O ATOM 0 H ASP A 33 -8.447 -0.153 1.947 1.00 0.00 H new ATOM 0 HA ASP A 33 -8.280 -1.241 0.004 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -6.112 0.813 -0.643 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.945 -0.192 -1.812 1.00 0.00 H new ATOM 467 N ASN A 34 -5.678 -2.092 -0.837 1.00 0.00 N ATOM 468 CA ASN A 34 -4.591 -3.063 -0.889 1.00 0.00 C ATOM 469 C ASN A 34 -3.297 -2.448 -0.364 1.00 0.00 C ATOM 470 O ASN A 34 -2.212 -2.734 -0.870 1.00 0.00 O ATOM 471 CB ASN A 34 -4.384 -3.540 -2.328 1.00 0.00 C ATOM 472 CG ASN A 34 -5.664 -4.182 -2.853 1.00 0.00 C ATOM 473 OD1 ASN A 34 -6.066 -3.929 -3.987 1.00 0.00 O ATOM 474 ND2 ASN A 34 -6.330 -5.005 -2.090 1.00 0.00 N ATOM 0 H ASN A 34 -5.971 -1.733 -1.745 1.00 0.00 H new ATOM 0 HA ASN A 34 -4.858 -3.912 -0.260 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -4.103 -2.699 -2.962 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -3.564 -4.258 -2.368 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -7.186 -5.440 -2.434 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -5.994 -5.213 -1.150 1.00 0.00 H new ATOM 481 N GLY A 35 -3.420 -1.602 0.653 1.00 0.00 N ATOM 482 CA GLY A 35 -2.254 -0.953 1.240 1.00 0.00 C ATOM 483 C GLY A 35 -1.696 0.115 0.304 1.00 0.00 C ATOM 484 O GLY A 35 -1.004 1.035 0.738 1.00 0.00 O ATOM 0 H GLY A 35 -4.309 -1.351 1.085 1.00 0.00 H new ATOM 0 HA2 GLY A 35 -2.526 -0.500 2.193 1.00 0.00 H new ATOM 0 HA3 GLY A 35 -1.485 -1.697 1.449 1.00 0.00 H new ATOM 488 N LEU A 36 -2.003 -0.016 -0.982 1.00 0.00 N ATOM 489 CA LEU A 36 -1.533 0.948 -1.971 1.00 0.00 C ATOM 490 C LEU A 36 -0.007 0.986 -2.000 1.00 0.00 C ATOM 491 O LEU A 36 0.619 0.438 -2.908 1.00 0.00 O ATOM 492 CB LEU A 36 -2.074 2.340 -1.641 1.00 0.00 C ATOM 493 CG LEU A 36 -3.573 2.250 -1.352 1.00 0.00 C ATOM 494 CD1 LEU A 36 -4.122 3.647 -1.060 1.00 0.00 C ATOM 495 CD2 LEU A 36 -4.292 1.664 -2.569 1.00 0.00 C ATOM 0 H LEU A 36 -2.570 -0.774 -1.362 1.00 0.00 H new ATOM 0 HA LEU A 36 -1.896 0.641 -2.952 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.550 2.750 -0.777 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -1.894 3.019 -2.475 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.738 1.607 -0.487 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -5.190 3.582 -0.854 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -3.610 4.065 -0.193 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -3.957 4.291 -1.924 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -5.361 1.599 -2.364 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -4.127 2.307 -3.434 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -3.902 0.668 -2.777 1.00 0.00 H new ATOM 507 N LEU A 37 0.583 1.638 -1.004 1.00 0.00 N ATOM 508 CA LEU A 37 2.035 1.752 -0.934 1.00 0.00 C ATOM 509 C LEU A 37 2.599 0.805 0.120 1.00 0.00 C ATOM 510 O LEU A 37 2.079 0.717 1.231 1.00 0.00 O ATOM 511 CB LEU A 37 2.432 3.190 -0.593 1.00 0.00 C ATOM 512 CG LEU A 37 3.955 3.326 -0.646 1.00 0.00 C ATOM 513 CD1 LEU A 37 4.398 3.540 -2.094 1.00 0.00 C ATOM 514 CD2 LEU A 37 4.390 4.525 0.201 1.00 0.00 C ATOM 0 H LEU A 37 0.083 2.092 -0.240 1.00 0.00 H new ATOM 0 HA LEU A 37 2.447 1.482 -1.906 1.00 0.00 H new ATOM 0 HB2 LEU A 37 1.970 3.883 -1.297 1.00 0.00 H new ATOM 0 HB3 LEU A 37 2.067 3.453 0.400 1.00 0.00 H new ATOM 0 HG LEU A 37 4.414 2.418 -0.255 1.00 0.00 H new ATOM 0 HD11 LEU A 37 5.483 3.637 -2.132 1.00 0.00 H new ATOM 0 HD12 LEU A 37 4.088 2.688 -2.699 1.00 0.00 H new ATOM 0 HD13 LEU A 37 3.939 4.448 -2.485 1.00 0.00 H new ATOM 0 HD21 LEU A 37 5.475 4.622 0.164 1.00 0.00 H new ATOM 0 HD22 LEU A 37 3.931 5.433 -0.190 1.00 0.00 H new ATOM 0 HD23 LEU A 37 4.075 4.375 1.233 1.00 0.00 H new ATOM 526 N PHE A 38 3.667 0.098 -0.238 1.00 0.00 N ATOM 527 CA PHE A 38 4.303 -0.829 0.690 1.00 0.00 C ATOM 528 C PHE A 38 5.689 -0.325 1.083 1.00 0.00 C ATOM 529 O PHE A 38 6.538 -0.085 0.224 1.00 0.00 O ATOM 530 CB PHE A 38 4.424 -2.212 0.046 1.00 0.00 C ATOM 531 CG PHE A 38 3.047 -2.797 -0.150 1.00 0.00 C ATOM 532 CD1 PHE A 38 2.314 -2.493 -1.304 1.00 0.00 C ATOM 533 CD2 PHE A 38 2.500 -3.643 0.822 1.00 0.00 C ATOM 534 CE1 PHE A 38 1.037 -3.037 -1.487 1.00 0.00 C ATOM 535 CE2 PHE A 38 1.223 -4.186 0.641 1.00 0.00 C ATOM 536 CZ PHE A 38 0.491 -3.883 -0.514 1.00 0.00 C ATOM 0 H PHE A 38 4.107 0.149 -1.157 1.00 0.00 H new ATOM 0 HA PHE A 38 3.686 -0.899 1.586 1.00 0.00 H new ATOM 0 HB2 PHE A 38 4.938 -2.135 -0.912 1.00 0.00 H new ATOM 0 HB3 PHE A 38 5.023 -2.868 0.678 1.00 0.00 H new ATOM 0 HD1 PHE A 38 2.734 -1.838 -2.053 1.00 0.00 H new ATOM 0 HD2 PHE A 38 3.064 -3.877 1.713 1.00 0.00 H new ATOM 0 HE1 PHE A 38 0.473 -2.804 -2.378 1.00 0.00 H new ATOM 0 HE2 PHE A 38 0.802 -4.838 1.392 1.00 0.00 H new ATOM 0 HZ PHE A 38 -0.495 -4.302 -0.654 1.00 0.00 H new ATOM 546 N ARG A 39 5.909 -0.169 2.383 1.00 0.00 N ATOM 547 CA ARG A 39 7.197 0.305 2.878 1.00 0.00 C ATOM 548 C ARG A 39 8.203 -0.839 2.935 1.00 0.00 C ATOM 549 O ARG A 39 8.110 -1.720 3.790 1.00 0.00 O ATOM 550 CB ARG A 39 7.030 0.912 4.272 1.00 0.00 C ATOM 551 CG ARG A 39 8.401 1.300 4.827 1.00 0.00 C ATOM 552 CD ARG A 39 8.223 2.201 6.049 1.00 0.00 C ATOM 553 NE ARG A 39 9.400 2.130 6.905 1.00 0.00 N ATOM 554 CZ ARG A 39 9.548 1.147 7.788 1.00 0.00 C ATOM 555 NH1 ARG A 39 8.632 0.225 7.898 1.00 0.00 N ATOM 556 NH2 ARG A 39 10.612 1.105 8.544 1.00 0.00 N ATOM 0 H ARG A 39 5.219 -0.362 3.109 1.00 0.00 H new ATOM 0 HA ARG A 39 7.570 1.067 2.194 1.00 0.00 H new ATOM 0 HB2 ARG A 39 6.384 1.789 4.223 1.00 0.00 H new ATOM 0 HB3 ARG A 39 6.546 0.196 4.936 1.00 0.00 H new ATOM 0 HG2 ARG A 39 8.960 0.405 5.101 1.00 0.00 H new ATOM 0 HG3 ARG A 39 8.981 1.817 4.063 1.00 0.00 H new ATOM 0 HD2 ARG A 39 8.059 3.230 5.730 1.00 0.00 H new ATOM 0 HD3 ARG A 39 7.339 1.896 6.609 1.00 0.00 H new ATOM 0 HE ARG A 39 10.122 2.846 6.826 1.00 0.00 H new ATOM 0 HH11 ARG A 39 7.802 0.258 7.306 1.00 0.00 H new ATOM 0 HH12 ARG A 39 8.746 -0.529 8.576 1.00 0.00 H new ATOM 0 HH21 ARG A 39 11.328 1.826 8.457 1.00 0.00 H new ATOM 0 HH22 ARG A 39 10.727 0.351 9.222 1.00 0.00 H new ATOM 570 N ILE A 40 9.167 -0.819 2.021 1.00 0.00 N ATOM 571 CA ILE A 40 10.182 -1.864 1.970 1.00 0.00 C ATOM 572 C ILE A 40 11.438 -1.426 2.717 1.00 0.00 C ATOM 573 O ILE A 40 11.923 -0.310 2.535 1.00 0.00 O ATOM 574 CB ILE A 40 10.536 -2.178 0.516 1.00 0.00 C ATOM 575 CG1 ILE A 40 9.249 -2.360 -0.294 1.00 0.00 C ATOM 576 CG2 ILE A 40 11.361 -3.465 0.456 1.00 0.00 C ATOM 577 CD1 ILE A 40 9.601 -2.613 -1.761 1.00 0.00 C ATOM 0 H ILE A 40 9.267 -0.095 1.309 1.00 0.00 H new ATOM 0 HA ILE A 40 9.781 -2.758 2.447 1.00 0.00 H new ATOM 0 HB ILE A 40 11.117 -1.355 0.099 1.00 0.00 H new ATOM 0 HG12 ILE A 40 8.673 -3.196 0.102 1.00 0.00 H new ATOM 0 HG13 ILE A 40 8.623 -1.472 -0.207 1.00 0.00 H new ATOM 0 HG21 ILE A 40 11.613 -3.688 -0.581 1.00 0.00 H new ATOM 0 HG22 ILE A 40 12.277 -3.337 1.032 1.00 0.00 H new ATOM 0 HG23 ILE A 40 10.782 -4.288 0.874 1.00 0.00 H new ATOM 0 HD11 ILE A 40 8.685 -2.743 -2.338 1.00 0.00 H new ATOM 0 HD12 ILE A 40 10.160 -1.763 -2.153 1.00 0.00 H new ATOM 0 HD13 ILE A 40 10.209 -3.514 -1.839 1.00 0.00 H new ATOM 589 N VAL A 41 11.957 -2.311 3.561 1.00 0.00 N ATOM 590 CA VAL A 41 13.153 -2.003 4.336 1.00 0.00 C ATOM 591 C VAL A 41 14.132 -3.172 4.302 1.00 0.00 C ATOM 592 O VAL A 41 13.768 -4.308 4.609 1.00 0.00 O ATOM 593 CB VAL A 41 12.772 -1.694 5.785 1.00 0.00 C ATOM 594 CG1 VAL A 41 14.027 -1.322 6.576 1.00 0.00 C ATOM 595 CG2 VAL A 41 11.787 -0.523 5.812 1.00 0.00 C ATOM 0 H VAL A 41 11.572 -3.241 3.725 1.00 0.00 H new ATOM 0 HA VAL A 41 13.634 -1.131 3.894 1.00 0.00 H new ATOM 0 HB VAL A 41 12.308 -2.572 6.234 1.00 0.00 H new ATOM 0 HG11 VAL A 41 13.755 -1.102 7.608 1.00 0.00 H new ATOM 0 HG12 VAL A 41 14.730 -2.155 6.556 1.00 0.00 H new ATOM 0 HG13 VAL A 41 14.492 -0.444 6.128 1.00 0.00 H new ATOM 0 HG21 VAL A 41 11.514 -0.301 6.844 1.00 0.00 H new ATOM 0 HG22 VAL A 41 12.252 0.354 5.363 1.00 0.00 H new ATOM 0 HG23 VAL A 41 10.892 -0.787 5.249 1.00 0.00 H new ATOM 605 N ASN A 42 15.375 -2.888 3.929 1.00 0.00 N ATOM 606 CA ASN A 42 16.403 -3.920 3.877 1.00 0.00 C ATOM 607 C ASN A 42 17.372 -3.771 5.045 1.00 0.00 C ATOM 608 O ASN A 42 18.236 -2.895 5.039 1.00 0.00 O ATOM 609 CB ASN A 42 17.172 -3.825 2.558 1.00 0.00 C ATOM 610 CG ASN A 42 17.919 -5.128 2.293 1.00 0.00 C ATOM 611 OD1 ASN A 42 19.044 -5.110 1.795 1.00 0.00 O ATOM 612 ND2 ASN A 42 17.356 -6.266 2.599 1.00 0.00 N ATOM 0 H ASN A 42 15.694 -1.957 3.660 1.00 0.00 H new ATOM 0 HA ASN A 42 15.917 -4.894 3.945 1.00 0.00 H new ATOM 0 HB2 ASN A 42 16.482 -3.619 1.740 1.00 0.00 H new ATOM 0 HB3 ASN A 42 17.876 -2.994 2.598 1.00 0.00 H new ATOM 0 HD21 ASN A 42 17.849 -7.142 2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 42 16.423 -6.279 3.012 1.00 0.00 H new ATOM 619 N LYS A 43 17.220 -4.632 6.047 1.00 0.00 N ATOM 620 CA LYS A 43 18.072 -4.571 7.229 1.00 0.00 C ATOM 621 C LYS A 43 19.545 -4.621 6.836 1.00 0.00 C ATOM 622 O LYS A 43 20.392 -4.009 7.488 1.00 0.00 O ATOM 623 CB LYS A 43 17.752 -5.740 8.162 1.00 0.00 C ATOM 624 CG LYS A 43 16.339 -5.574 8.725 1.00 0.00 C ATOM 625 CD LYS A 43 16.091 -6.633 9.801 1.00 0.00 C ATOM 626 CE LYS A 43 14.638 -6.549 10.273 1.00 0.00 C ATOM 627 NZ LYS A 43 14.460 -7.396 11.486 1.00 0.00 N ATOM 0 H LYS A 43 16.521 -5.374 6.064 1.00 0.00 H new ATOM 0 HA LYS A 43 17.879 -3.630 7.743 1.00 0.00 H new ATOM 0 HB2 LYS A 43 17.830 -6.683 7.621 1.00 0.00 H new ATOM 0 HB3 LYS A 43 18.477 -5.778 8.975 1.00 0.00 H new ATOM 0 HG2 LYS A 43 16.219 -4.576 9.147 1.00 0.00 H new ATOM 0 HG3 LYS A 43 15.604 -5.673 7.926 1.00 0.00 H new ATOM 0 HD2 LYS A 43 16.299 -7.626 9.404 1.00 0.00 H new ATOM 0 HD3 LYS A 43 16.767 -6.478 10.642 1.00 0.00 H new ATOM 0 HE2 LYS A 43 14.376 -5.515 10.497 1.00 0.00 H new ATOM 0 HE3 LYS A 43 13.967 -6.883 9.481 1.00 0.00 H new ATOM 0 HZ1 LYS A 43 13.472 -7.339 11.807 1.00 0.00 H new ATOM 0 HZ2 LYS A 43 14.693 -8.383 11.257 1.00 0.00 H new ATOM 0 HZ3 LYS A 43 15.090 -7.057 12.241 1.00 0.00 H new ATOM 641 N LYS A 44 19.844 -5.353 5.768 1.00 0.00 N ATOM 642 CA LYS A 44 21.219 -5.473 5.299 1.00 0.00 C ATOM 643 C LYS A 44 21.902 -4.110 5.279 1.00 0.00 C ATOM 644 O LYS A 44 22.850 -3.869 6.026 1.00 0.00 O ATOM 645 CB LYS A 44 21.240 -6.078 3.893 1.00 0.00 C ATOM 646 CG LYS A 44 22.672 -6.473 3.529 1.00 0.00 C ATOM 647 CD LYS A 44 22.649 -7.450 2.351 1.00 0.00 C ATOM 648 CE LYS A 44 21.990 -6.780 1.145 1.00 0.00 C ATOM 649 NZ LYS A 44 22.570 -5.422 0.951 1.00 0.00 N ATOM 0 H LYS A 44 19.159 -5.868 5.215 1.00 0.00 H new ATOM 0 HA LYS A 44 21.760 -6.126 5.984 1.00 0.00 H new ATOM 0 HB2 LYS A 44 20.589 -6.951 3.852 1.00 0.00 H new ATOM 0 HB3 LYS A 44 20.855 -5.359 3.170 1.00 0.00 H new ATOM 0 HG2 LYS A 44 23.250 -5.586 3.268 1.00 0.00 H new ATOM 0 HG3 LYS A 44 23.163 -6.933 4.387 1.00 0.00 H new ATOM 0 HD2 LYS A 44 23.664 -7.757 2.100 1.00 0.00 H new ATOM 0 HD3 LYS A 44 22.101 -8.352 2.624 1.00 0.00 H new ATOM 0 HE2 LYS A 44 22.145 -7.384 0.251 1.00 0.00 H new ATOM 0 HE3 LYS A 44 20.913 -6.708 1.299 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 22.109 -4.960 0.141 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 22.416 -4.853 1.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 23.591 -5.503 0.769 1.00 0.00 H new ATOM 663 N LYS A 45 21.416 -3.223 4.418 1.00 0.00 N ATOM 664 CA LYS A 45 21.973 -1.877 4.325 1.00 0.00 C ATOM 665 C LYS A 45 21.070 -0.872 5.034 1.00 0.00 C ATOM 666 O LYS A 45 21.383 0.316 5.103 1.00 0.00 O ATOM 667 CB LYS A 45 22.132 -1.479 2.857 1.00 0.00 C ATOM 668 CG LYS A 45 23.026 -2.498 2.147 1.00 0.00 C ATOM 669 CD LYS A 45 24.465 -2.350 2.644 1.00 0.00 C ATOM 670 CE LYS A 45 25.421 -2.989 1.635 1.00 0.00 C ATOM 671 NZ LYS A 45 25.132 -4.447 1.530 1.00 0.00 N ATOM 0 H LYS A 45 20.643 -3.409 3.778 1.00 0.00 H new ATOM 0 HA LYS A 45 22.949 -1.873 4.810 1.00 0.00 H new ATOM 0 HB2 LYS A 45 21.156 -1.436 2.373 1.00 0.00 H new ATOM 0 HB3 LYS A 45 22.569 -0.483 2.784 1.00 0.00 H new ATOM 0 HG2 LYS A 45 22.666 -3.509 2.339 1.00 0.00 H new ATOM 0 HG3 LYS A 45 22.985 -2.344 1.069 1.00 0.00 H new ATOM 0 HD2 LYS A 45 24.709 -1.296 2.775 1.00 0.00 H new ATOM 0 HD3 LYS A 45 24.576 -2.827 3.618 1.00 0.00 H new ATOM 0 HE2 LYS A 45 25.308 -2.514 0.660 1.00 0.00 H new ATOM 0 HE3 LYS A 45 26.454 -2.834 1.948 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 25.988 -4.988 1.766 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 24.370 -4.698 2.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 24.836 -4.673 0.559 1.00 0.00 H new ATOM 685 N LYS A 46 19.953 -1.359 5.563 1.00 0.00 N ATOM 686 CA LYS A 46 19.011 -0.494 6.265 1.00 0.00 C ATOM 687 C LYS A 46 18.566 0.658 5.368 1.00 0.00 C ATOM 688 O LYS A 46 18.372 1.780 5.836 1.00 0.00 O ATOM 689 CB LYS A 46 19.660 0.065 7.532 1.00 0.00 C ATOM 690 CG LYS A 46 19.233 -0.776 8.737 1.00 0.00 C ATOM 691 CD LYS A 46 17.825 -0.367 9.172 1.00 0.00 C ATOM 692 CE LYS A 46 17.917 0.655 10.306 1.00 0.00 C ATOM 693 NZ LYS A 46 18.247 -0.043 11.580 1.00 0.00 N ATOM 0 H LYS A 46 19.679 -2.340 5.520 1.00 0.00 H new ATOM 0 HA LYS A 46 18.137 -1.086 6.535 1.00 0.00 H new ATOM 0 HB2 LYS A 46 20.745 0.053 7.433 1.00 0.00 H new ATOM 0 HB3 LYS A 46 19.364 1.104 7.677 1.00 0.00 H new ATOM 0 HG2 LYS A 46 19.252 -1.835 8.480 1.00 0.00 H new ATOM 0 HG3 LYS A 46 19.934 -0.635 9.559 1.00 0.00 H new ATOM 0 HD2 LYS A 46 17.282 0.058 8.328 1.00 0.00 H new ATOM 0 HD3 LYS A 46 17.266 -1.243 9.502 1.00 0.00 H new ATOM 0 HE2 LYS A 46 18.681 1.399 10.078 1.00 0.00 H new ATOM 0 HE3 LYS A 46 16.972 1.189 10.406 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 18.062 0.593 12.382 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 17.658 -0.895 11.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 19.251 -0.314 11.577 1.00 0.00 H new ATOM 707 N GLN A 47 18.405 0.374 4.079 1.00 0.00 N ATOM 708 CA GLN A 47 17.969 1.395 3.134 1.00 0.00 C ATOM 709 C GLN A 47 16.469 1.285 2.885 1.00 0.00 C ATOM 710 O GLN A 47 15.965 0.221 2.524 1.00 0.00 O ATOM 711 CB GLN A 47 18.722 1.239 1.811 1.00 0.00 C ATOM 712 CG GLN A 47 18.267 -0.042 1.110 1.00 0.00 C ATOM 713 CD GLN A 47 19.310 -0.474 0.085 1.00 0.00 C ATOM 714 OE1 GLN A 47 20.340 0.293 -0.146 1.00 0.00 O flip ATOM 715 NE2 GLN A 47 19.184 -1.538 -0.521 1.00 0.00 N flip ATOM 0 H GLN A 47 18.568 -0.545 3.668 1.00 0.00 H new ATOM 0 HA GLN A 47 18.185 2.375 3.560 1.00 0.00 H new ATOM 0 HB2 GLN A 47 18.536 2.102 1.171 1.00 0.00 H new ATOM 0 HB3 GLN A 47 19.796 1.204 1.994 1.00 0.00 H new ATOM 0 HG2 GLN A 47 18.116 -0.834 1.844 1.00 0.00 H new ATOM 0 HG3 GLN A 47 17.308 0.124 0.618 1.00 0.00 H new ATOM 0 HE21 GLN A 47 18.378 -2.136 -0.339 1.00 0.00 H new ATOM 0 HE22 GLN A 47 19.885 -1.821 -1.205 1.00 0.00 H new ATOM 724 N TRP A 48 15.759 2.392 3.080 1.00 0.00 N ATOM 725 CA TRP A 48 14.314 2.404 2.888 1.00 0.00 C ATOM 726 C TRP A 48 13.969 2.604 1.416 1.00 0.00 C ATOM 727 O TRP A 48 14.659 3.327 0.698 1.00 0.00 O ATOM 728 CB TRP A 48 13.687 3.527 3.718 1.00 0.00 C ATOM 729 CG TRP A 48 13.705 3.150 5.165 1.00 0.00 C ATOM 730 CD1 TRP A 48 14.501 2.203 5.713 1.00 0.00 C ATOM 731 CD2 TRP A 48 12.909 3.697 6.257 1.00 0.00 C ATOM 732 NE1 TRP A 48 14.243 2.132 7.070 1.00 0.00 N ATOM 733 CE2 TRP A 48 13.270 3.034 7.453 1.00 0.00 C ATOM 734 CE3 TRP A 48 11.918 4.693 6.323 1.00 0.00 C ATOM 735 CZ2 TRP A 48 12.669 3.348 8.673 1.00 0.00 C ATOM 736 CZ3 TRP A 48 11.311 5.012 7.549 1.00 0.00 C ATOM 737 CH2 TRP A 48 11.686 4.340 8.722 1.00 0.00 C ATOM 0 H TRP A 48 16.157 3.286 3.369 1.00 0.00 H new ATOM 0 HA TRP A 48 13.915 1.443 3.215 1.00 0.00 H new ATOM 0 HB2 TRP A 48 14.237 4.456 3.567 1.00 0.00 H new ATOM 0 HB3 TRP A 48 12.663 3.706 3.391 1.00 0.00 H new ATOM 0 HD1 TRP A 48 15.220 1.601 5.178 1.00 0.00 H new ATOM 0 HE1 TRP A 48 14.714 1.492 7.710 1.00 0.00 H new ATOM 0 HE3 TRP A 48 11.622 5.216 5.426 1.00 0.00 H new ATOM 0 HZ2 TRP A 48 12.962 2.828 9.573 1.00 0.00 H new ATOM 0 HZ3 TRP A 48 10.551 5.779 7.589 1.00 0.00 H new ATOM 0 HH2 TRP A 48 11.216 4.589 9.662 1.00 0.00 H new ATOM 748 N ALA A 49 12.895 1.957 0.974 1.00 0.00 N ATOM 749 CA ALA A 49 12.463 2.070 -0.415 1.00 0.00 C ATOM 750 C ALA A 49 10.940 2.030 -0.503 1.00 0.00 C ATOM 751 O ALA A 49 10.276 1.442 0.350 1.00 0.00 O ATOM 752 CB ALA A 49 13.055 0.928 -1.241 1.00 0.00 C ATOM 0 H ALA A 49 12.311 1.353 1.553 1.00 0.00 H new ATOM 0 HA ALA A 49 12.815 3.022 -0.811 1.00 0.00 H new ATOM 0 HB1 ALA A 49 12.727 1.020 -2.277 1.00 0.00 H new ATOM 0 HB2 ALA A 49 14.143 0.975 -1.199 1.00 0.00 H new ATOM 0 HB3 ALA A 49 12.717 -0.026 -0.837 1.00 0.00 H new ATOM 758 N TYR A 50 10.393 2.659 -1.538 1.00 0.00 N ATOM 759 CA TYR A 50 8.946 2.690 -1.721 1.00 0.00 C ATOM 760 C TYR A 50 8.571 2.265 -3.137 1.00 0.00 C ATOM 761 O TYR A 50 9.227 2.649 -4.105 1.00 0.00 O ATOM 762 CB TYR A 50 8.417 4.099 -1.451 1.00 0.00 C ATOM 763 CG TYR A 50 8.563 4.418 0.017 1.00 0.00 C ATOM 764 CD1 TYR A 50 7.715 3.810 0.952 1.00 0.00 C ATOM 765 CD2 TYR A 50 9.544 5.320 0.445 1.00 0.00 C ATOM 766 CE1 TYR A 50 7.851 4.104 2.313 1.00 0.00 C ATOM 767 CE2 TYR A 50 9.679 5.613 1.806 1.00 0.00 C ATOM 768 CZ TYR A 50 8.834 5.005 2.741 1.00 0.00 C ATOM 769 OH TYR A 50 8.967 5.295 4.084 1.00 0.00 O ATOM 0 H TYR A 50 10.924 3.150 -2.257 1.00 0.00 H new ATOM 0 HA TYR A 50 8.496 1.991 -1.016 1.00 0.00 H new ATOM 0 HB2 TYR A 50 8.967 4.826 -2.049 1.00 0.00 H new ATOM 0 HB3 TYR A 50 7.370 4.169 -1.747 1.00 0.00 H new ATOM 0 HD1 TYR A 50 6.957 3.115 0.622 1.00 0.00 H new ATOM 0 HD2 TYR A 50 10.197 5.790 -0.276 1.00 0.00 H new ATOM 0 HE1 TYR A 50 7.197 3.636 3.034 1.00 0.00 H new ATOM 0 HE2 TYR A 50 10.436 6.309 2.136 1.00 0.00 H new ATOM 0 HH TYR A 50 9.697 5.937 4.209 1.00 0.00 H new ATOM 779 N TYR A 51 7.510 1.474 -3.247 1.00 0.00 N ATOM 780 CA TYR A 51 7.040 1.017 -4.549 1.00 0.00 C ATOM 781 C TYR A 51 5.574 1.392 -4.749 1.00 0.00 C ATOM 782 O TYR A 51 4.694 0.884 -4.055 1.00 0.00 O ATOM 783 CB TYR A 51 7.201 -0.501 -4.659 1.00 0.00 C ATOM 784 CG TYR A 51 6.268 -1.033 -5.720 1.00 0.00 C ATOM 785 CD1 TYR A 51 6.640 -0.981 -7.069 1.00 0.00 C ATOM 786 CD2 TYR A 51 5.031 -1.577 -5.356 1.00 0.00 C ATOM 787 CE1 TYR A 51 5.775 -1.474 -8.053 1.00 0.00 C ATOM 788 CE2 TYR A 51 4.166 -2.070 -6.339 1.00 0.00 C ATOM 789 CZ TYR A 51 4.539 -2.019 -7.688 1.00 0.00 C ATOM 790 OH TYR A 51 3.686 -2.505 -8.658 1.00 0.00 O ATOM 0 H TYR A 51 6.962 1.137 -2.455 1.00 0.00 H new ATOM 0 HA TYR A 51 7.637 1.501 -5.322 1.00 0.00 H new ATOM 0 HB2 TYR A 51 8.232 -0.750 -4.909 1.00 0.00 H new ATOM 0 HB3 TYR A 51 6.983 -0.971 -3.700 1.00 0.00 H new ATOM 0 HD1 TYR A 51 7.594 -0.561 -7.350 1.00 0.00 H new ATOM 0 HD2 TYR A 51 4.744 -1.616 -4.316 1.00 0.00 H new ATOM 0 HE1 TYR A 51 6.062 -1.434 -9.094 1.00 0.00 H new ATOM 0 HE2 TYR A 51 3.211 -2.490 -6.058 1.00 0.00 H new ATOM 0 HH TYR A 51 3.137 -3.223 -8.280 1.00 0.00 H new ATOM 800 N ASN A 52 5.321 2.283 -5.702 1.00 0.00 N ATOM 801 CA ASN A 52 3.958 2.724 -5.978 1.00 0.00 C ATOM 802 C ASN A 52 3.222 1.696 -6.830 1.00 0.00 C ATOM 803 O ASN A 52 3.764 1.183 -7.809 1.00 0.00 O ATOM 804 CB ASN A 52 3.981 4.070 -6.707 1.00 0.00 C ATOM 805 CG ASN A 52 2.556 4.544 -6.968 1.00 0.00 C ATOM 806 OD1 ASN A 52 1.604 3.786 -6.780 1.00 0.00 O ATOM 807 ND2 ASN A 52 2.351 5.761 -7.392 1.00 0.00 N ATOM 0 H ASN A 52 6.035 2.711 -6.292 1.00 0.00 H new ATOM 0 HA ASN A 52 3.434 2.833 -5.028 1.00 0.00 H new ATOM 0 HB2 ASN A 52 4.515 4.808 -6.109 1.00 0.00 H new ATOM 0 HB3 ASN A 52 4.520 3.974 -7.650 1.00 0.00 H new ATOM 0 HD21 ASN A 52 1.400 6.086 -7.568 1.00 0.00 H new ATOM 0 HD22 ASN A 52 3.141 6.387 -7.547 1.00 0.00 H new ATOM 814 N ASP A 53 1.983 1.401 -6.452 1.00 0.00 N ATOM 815 CA ASP A 53 1.180 0.430 -7.187 1.00 0.00 C ATOM 816 C ASP A 53 0.048 1.129 -7.932 1.00 0.00 C ATOM 817 O ASP A 53 -0.231 0.820 -9.090 1.00 0.00 O ATOM 818 CB ASP A 53 0.597 -0.604 -6.221 1.00 0.00 C ATOM 819 CG ASP A 53 -0.410 0.063 -5.289 1.00 0.00 C ATOM 820 OD1 ASP A 53 -0.245 1.240 -5.016 1.00 0.00 O ATOM 821 OD2 ASP A 53 -1.332 -0.614 -4.864 1.00 0.00 O ATOM 0 H ASP A 53 1.515 1.817 -5.647 1.00 0.00 H new ATOM 0 HA ASP A 53 1.822 -0.072 -7.911 1.00 0.00 H new ATOM 0 HB2 ASP A 53 0.113 -1.404 -6.781 1.00 0.00 H new ATOM 0 HB3 ASP A 53 1.397 -1.061 -5.638 1.00 0.00 H new ATOM 826 N THR A 54 -0.601 2.075 -7.259 1.00 0.00 N ATOM 827 CA THR A 54 -1.707 2.808 -7.865 1.00 0.00 C ATOM 828 C THR A 54 -1.252 3.495 -9.149 1.00 0.00 C ATOM 829 O THR A 54 -0.246 4.204 -9.163 1.00 0.00 O ATOM 830 CB THR A 54 -2.239 3.856 -6.884 1.00 0.00 C ATOM 831 OG1 THR A 54 -1.147 4.571 -6.321 1.00 0.00 O ATOM 832 CG2 THR A 54 -3.025 3.162 -5.772 1.00 0.00 C ATOM 0 H THR A 54 -0.382 2.350 -6.301 1.00 0.00 H new ATOM 0 HA THR A 54 -2.500 2.100 -8.105 1.00 0.00 H new ATOM 0 HB THR A 54 -2.895 4.549 -7.411 1.00 0.00 H new ATOM 0 HG1 THR A 54 -1.025 5.415 -6.803 1.00 0.00 H new ATOM 0 HG21 THR A 54 -3.404 3.908 -5.074 1.00 0.00 H new ATOM 0 HG22 THR A 54 -3.861 2.613 -6.205 1.00 0.00 H new ATOM 0 HG23 THR A 54 -2.371 2.469 -5.243 1.00 0.00 H new ATOM 840 N THR A 55 -2.001 3.281 -10.226 1.00 0.00 N ATOM 841 CA THR A 55 -1.668 3.889 -11.509 1.00 0.00 C ATOM 842 C THR A 55 -2.511 5.138 -11.747 1.00 0.00 C ATOM 843 O THR A 55 -2.538 5.679 -12.851 1.00 0.00 O ATOM 844 CB THR A 55 -1.909 2.886 -12.639 1.00 0.00 C ATOM 845 OG1 THR A 55 -3.268 2.475 -12.623 1.00 0.00 O ATOM 846 CG2 THR A 55 -1.003 1.669 -12.446 1.00 0.00 C ATOM 0 H THR A 55 -2.836 2.696 -10.237 1.00 0.00 H new ATOM 0 HA THR A 55 -0.616 4.173 -11.492 1.00 0.00 H new ATOM 0 HB THR A 55 -1.683 3.355 -13.596 1.00 0.00 H new ATOM 0 HG1 THR A 55 -3.424 1.834 -13.347 1.00 0.00 H new ATOM 0 HG21 THR A 55 -1.176 0.955 -13.252 1.00 0.00 H new ATOM 0 HG22 THR A 55 0.040 1.986 -12.459 1.00 0.00 H new ATOM 0 HG23 THR A 55 -1.226 1.197 -11.489 1.00 0.00 H new ATOM 854 N GLN A 56 -3.200 5.589 -10.704 1.00 0.00 N ATOM 855 CA GLN A 56 -4.041 6.776 -10.811 1.00 0.00 C ATOM 856 C GLN A 56 -3.559 7.865 -9.859 1.00 0.00 C ATOM 857 O GLN A 56 -3.631 9.054 -10.174 1.00 0.00 O ATOM 858 CB GLN A 56 -5.493 6.418 -10.483 1.00 0.00 C ATOM 859 CG GLN A 56 -6.312 7.700 -10.331 1.00 0.00 C ATOM 860 CD GLN A 56 -7.800 7.368 -10.306 1.00 0.00 C ATOM 861 OE1 GLN A 56 -8.184 6.129 -10.451 1.00 0.00 O flip ATOM 862 NE2 GLN A 56 -8.635 8.259 -10.152 1.00 0.00 N flip ATOM 0 H GLN A 56 -3.193 5.154 -9.781 1.00 0.00 H new ATOM 0 HA GLN A 56 -3.979 7.150 -11.833 1.00 0.00 H new ATOM 0 HB2 GLN A 56 -5.913 5.797 -11.274 1.00 0.00 H new ATOM 0 HB3 GLN A 56 -5.536 5.835 -9.563 1.00 0.00 H new ATOM 0 HG2 GLN A 56 -6.030 8.215 -9.412 1.00 0.00 H new ATOM 0 HG3 GLN A 56 -6.096 8.379 -11.156 1.00 0.00 H new ATOM 0 HE21 GLN A 56 -8.333 9.227 -10.039 1.00 0.00 H new ATOM 0 HE22 GLN A 56 -9.629 8.030 -10.138 1.00 0.00 H new ATOM 871 N TYR A 57 -3.069 7.453 -8.695 1.00 0.00 N ATOM 872 CA TYR A 57 -2.585 8.405 -7.702 1.00 0.00 C ATOM 873 C TYR A 57 -1.090 8.218 -7.459 1.00 0.00 C ATOM 874 O TYR A 57 -0.583 7.097 -7.492 1.00 0.00 O ATOM 875 CB TYR A 57 -3.344 8.219 -6.387 1.00 0.00 C ATOM 876 CG TYR A 57 -4.818 8.051 -6.675 1.00 0.00 C ATOM 877 CD1 TYR A 57 -5.306 6.821 -7.131 1.00 0.00 C ATOM 878 CD2 TYR A 57 -5.694 9.127 -6.486 1.00 0.00 C ATOM 879 CE1 TYR A 57 -6.672 6.666 -7.397 1.00 0.00 C ATOM 880 CE2 TYR A 57 -7.059 8.971 -6.753 1.00 0.00 C ATOM 881 CZ TYR A 57 -7.549 7.741 -7.209 1.00 0.00 C ATOM 882 OH TYR A 57 -8.895 7.587 -7.472 1.00 0.00 O ATOM 0 H TYR A 57 -2.997 6.474 -8.417 1.00 0.00 H new ATOM 0 HA TYR A 57 -2.755 9.412 -8.082 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -2.965 7.346 -5.856 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -3.185 9.080 -5.738 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -4.629 5.992 -7.278 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -5.317 10.076 -6.135 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -7.049 5.717 -7.747 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -7.735 9.800 -6.607 1.00 0.00 H new ATOM 0 HH TYR A 57 -9.362 8.429 -7.289 1.00 0.00 H new ATOM 892 N GLU A 58 -0.393 9.322 -7.214 1.00 0.00 N ATOM 893 CA GLU A 58 1.036 9.264 -6.929 1.00 0.00 C ATOM 894 C GLU A 58 1.278 9.173 -5.427 1.00 0.00 C ATOM 895 O GLU A 58 0.535 9.748 -4.633 1.00 0.00 O ATOM 896 CB GLU A 58 1.730 10.509 -7.486 1.00 0.00 C ATOM 897 CG GLU A 58 0.725 11.659 -7.569 1.00 0.00 C ATOM 898 CD GLU A 58 1.426 12.935 -8.023 1.00 0.00 C ATOM 899 OE1 GLU A 58 2.645 12.923 -8.097 1.00 0.00 O ATOM 900 OE2 GLU A 58 0.737 13.905 -8.290 1.00 0.00 O ATOM 0 H GLU A 58 -0.790 10.261 -7.207 1.00 0.00 H new ATOM 0 HA GLU A 58 1.448 8.375 -7.406 1.00 0.00 H new ATOM 0 HB2 GLU A 58 2.567 10.789 -6.846 1.00 0.00 H new ATOM 0 HB3 GLU A 58 2.140 10.298 -8.474 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -0.073 11.405 -8.267 1.00 0.00 H new ATOM 0 HG3 GLU A 58 0.260 11.817 -6.596 1.00 0.00 H new ATOM 907 N MET A 59 2.321 8.443 -5.044 1.00 0.00 N ATOM 908 CA MET A 59 2.639 8.267 -3.632 1.00 0.00 C ATOM 909 C MET A 59 3.658 9.307 -3.175 1.00 0.00 C ATOM 910 O MET A 59 4.777 9.361 -3.687 1.00 0.00 O ATOM 911 CB MET A 59 3.199 6.863 -3.394 1.00 0.00 C ATOM 912 CG MET A 59 2.045 5.872 -3.237 1.00 0.00 C ATOM 913 SD MET A 59 0.758 6.246 -4.454 1.00 0.00 S ATOM 914 CE MET A 59 -0.639 5.572 -3.522 1.00 0.00 C ATOM 0 H MET A 59 2.955 7.968 -5.686 1.00 0.00 H new ATOM 0 HA MET A 59 1.723 8.397 -3.055 1.00 0.00 H new ATOM 0 HB2 MET A 59 3.835 6.568 -4.229 1.00 0.00 H new ATOM 0 HB3 MET A 59 3.823 6.856 -2.500 1.00 0.00 H new ATOM 0 HG2 MET A 59 2.406 4.853 -3.375 1.00 0.00 H new ATOM 0 HG3 MET A 59 1.635 5.931 -2.229 1.00 0.00 H new ATOM 0 HE1 MET A 59 -1.561 5.731 -4.082 1.00 0.00 H new ATOM 0 HE2 MET A 59 -0.490 4.504 -3.364 1.00 0.00 H new ATOM 0 HE3 MET A 59 -0.709 6.075 -2.557 1.00 0.00 H new ATOM 924 N HIS A 60 3.264 10.128 -2.206 1.00 0.00 N ATOM 925 CA HIS A 60 4.158 11.146 -1.670 1.00 0.00 C ATOM 926 C HIS A 60 4.623 10.759 -0.269 1.00 0.00 C ATOM 927 O HIS A 60 3.809 10.573 0.636 1.00 0.00 O ATOM 928 CB HIS A 60 3.444 12.498 -1.618 1.00 0.00 C ATOM 929 CG HIS A 60 3.062 12.916 -3.012 1.00 0.00 C ATOM 930 ND1 HIS A 60 3.726 13.929 -3.687 1.00 0.00 N ATOM 931 CD2 HIS A 60 2.089 12.469 -3.870 1.00 0.00 C ATOM 932 CE1 HIS A 60 3.149 14.056 -4.895 1.00 0.00 C ATOM 933 NE2 HIS A 60 2.145 13.190 -5.058 1.00 0.00 N ATOM 0 H HIS A 60 2.338 10.108 -1.779 1.00 0.00 H new ATOM 0 HA HIS A 60 5.027 11.223 -2.324 1.00 0.00 H new ATOM 0 HB2 HIS A 60 2.555 12.428 -0.991 1.00 0.00 H new ATOM 0 HB3 HIS A 60 4.094 13.248 -1.167 1.00 0.00 H new ATOM 0 HD1 HIS A 60 4.509 14.478 -3.332 1.00 0.00 H new ATOM 0 HD2 HIS A 60 1.386 11.677 -3.655 1.00 0.00 H new ATOM 0 HE1 HIS A 60 3.459 14.771 -5.642 1.00 0.00 H new ATOM 942 N VAL A 61 5.935 10.636 -0.097 1.00 0.00 N ATOM 943 CA VAL A 61 6.492 10.245 1.193 1.00 0.00 C ATOM 944 C VAL A 61 7.049 11.458 1.932 1.00 0.00 C ATOM 945 O VAL A 61 7.766 12.275 1.353 1.00 0.00 O ATOM 946 CB VAL A 61 7.602 9.214 0.991 1.00 0.00 C ATOM 947 CG1 VAL A 61 8.288 8.930 2.328 1.00 0.00 C ATOM 948 CG2 VAL A 61 6.998 7.918 0.444 1.00 0.00 C ATOM 0 H VAL A 61 6.627 10.800 -0.828 1.00 0.00 H new ATOM 0 HA VAL A 61 5.693 9.808 1.792 1.00 0.00 H new ATOM 0 HB VAL A 61 8.334 9.604 0.284 1.00 0.00 H new ATOM 0 HG11 VAL A 61 9.079 8.195 2.182 1.00 0.00 H new ATOM 0 HG12 VAL A 61 8.717 9.852 2.720 1.00 0.00 H new ATOM 0 HG13 VAL A 61 7.557 8.541 3.037 1.00 0.00 H new ATOM 0 HG21 VAL A 61 7.788 7.181 0.299 1.00 0.00 H new ATOM 0 HG22 VAL A 61 6.266 7.530 1.152 1.00 0.00 H new ATOM 0 HG23 VAL A 61 6.509 8.118 -0.510 1.00 0.00 H new ATOM 958 N LEU A 62 6.718 11.565 3.214 1.00 0.00 N ATOM 959 CA LEU A 62 7.205 12.669 4.033 1.00 0.00 C ATOM 960 C LEU A 62 7.512 12.187 5.446 1.00 0.00 C ATOM 961 O LEU A 62 6.638 12.179 6.313 1.00 0.00 O ATOM 962 CB LEU A 62 6.156 13.782 4.088 1.00 0.00 C ATOM 963 CG LEU A 62 6.710 14.967 4.880 1.00 0.00 C ATOM 964 CD1 LEU A 62 7.792 15.670 4.058 1.00 0.00 C ATOM 965 CD2 LEU A 62 5.580 15.953 5.180 1.00 0.00 C ATOM 0 H LEU A 62 6.117 10.904 3.707 1.00 0.00 H new ATOM 0 HA LEU A 62 8.120 13.056 3.584 1.00 0.00 H new ATOM 0 HB2 LEU A 62 5.892 14.097 3.079 1.00 0.00 H new ATOM 0 HB3 LEU A 62 5.243 13.413 4.556 1.00 0.00 H new ATOM 0 HG LEU A 62 7.139 14.608 5.816 1.00 0.00 H new ATOM 0 HD11 LEU A 62 8.187 16.515 4.623 1.00 0.00 H new ATOM 0 HD12 LEU A 62 8.598 14.969 3.843 1.00 0.00 H new ATOM 0 HD13 LEU A 62 7.363 16.028 3.122 1.00 0.00 H new ATOM 0 HD21 LEU A 62 5.975 16.798 5.745 1.00 0.00 H new ATOM 0 HD22 LEU A 62 5.151 16.311 4.244 1.00 0.00 H new ATOM 0 HD23 LEU A 62 4.808 15.454 5.766 1.00 0.00 H new ATOM 977 N VAL A 63 8.758 11.781 5.670 1.00 0.00 N ATOM 978 CA VAL A 63 9.163 11.278 6.977 1.00 0.00 C ATOM 979 C VAL A 63 10.141 12.238 7.647 1.00 0.00 C ATOM 980 O VAL A 63 11.123 12.664 7.039 1.00 0.00 O ATOM 981 CB VAL A 63 9.818 9.905 6.826 1.00 0.00 C ATOM 982 CG1 VAL A 63 10.173 9.352 8.208 1.00 0.00 C ATOM 983 CG2 VAL A 63 8.844 8.951 6.131 1.00 0.00 C ATOM 0 H VAL A 63 9.499 11.790 4.969 1.00 0.00 H new ATOM 0 HA VAL A 63 8.274 11.192 7.602 1.00 0.00 H new ATOM 0 HB VAL A 63 10.725 9.999 6.229 1.00 0.00 H new ATOM 0 HG11 VAL A 63 10.640 8.373 8.099 1.00 0.00 H new ATOM 0 HG12 VAL A 63 10.866 10.031 8.705 1.00 0.00 H new ATOM 0 HG13 VAL A 63 9.266 9.257 8.806 1.00 0.00 H new ATOM 0 HG21 VAL A 63 9.309 7.971 6.022 1.00 0.00 H new ATOM 0 HG22 VAL A 63 7.937 8.858 6.729 1.00 0.00 H new ATOM 0 HG23 VAL A 63 8.591 9.343 5.146 1.00 0.00 H new ATOM 993 N THR A 64 9.867 12.570 8.905 1.00 0.00 N ATOM 994 CA THR A 64 10.737 13.470 9.655 1.00 0.00 C ATOM 995 C THR A 64 11.492 12.701 10.734 1.00 0.00 C ATOM 996 O THR A 64 10.916 11.867 11.432 1.00 0.00 O ATOM 997 CB THR A 64 9.908 14.581 10.302 1.00 0.00 C ATOM 998 OG1 THR A 64 9.199 15.289 9.294 1.00 0.00 O ATOM 999 CG2 THR A 64 10.833 15.542 11.049 1.00 0.00 C ATOM 0 H THR A 64 9.056 12.232 9.423 1.00 0.00 H new ATOM 0 HA THR A 64 11.456 13.912 8.965 1.00 0.00 H new ATOM 0 HB THR A 64 9.200 14.143 11.005 1.00 0.00 H new ATOM 0 HG1 THR A 64 8.666 16.000 9.707 1.00 0.00 H new ATOM 0 HG21 THR A 64 10.241 16.333 11.509 1.00 0.00 H new ATOM 0 HG22 THR A 64 11.375 14.998 11.822 1.00 0.00 H new ATOM 0 HG23 THR A 64 11.543 15.981 10.349 1.00 0.00 H new ATOM 1007 N PHE A 65 12.784 12.984 10.862 1.00 0.00 N ATOM 1008 CA PHE A 65 13.606 12.309 11.861 1.00 0.00 C ATOM 1009 C PHE A 65 14.187 13.313 12.851 1.00 0.00 C ATOM 1010 O PHE A 65 14.246 14.512 12.573 1.00 0.00 O ATOM 1011 CB PHE A 65 14.743 11.551 11.172 1.00 0.00 C ATOM 1012 CG PHE A 65 14.258 11.019 9.844 1.00 0.00 C ATOM 1013 CD1 PHE A 65 14.205 11.864 8.729 1.00 0.00 C ATOM 1014 CD2 PHE A 65 13.861 9.682 9.730 1.00 0.00 C ATOM 1015 CE1 PHE A 65 13.755 11.371 7.499 1.00 0.00 C ATOM 1016 CE2 PHE A 65 13.411 9.189 8.499 1.00 0.00 C ATOM 1017 CZ PHE A 65 13.357 10.033 7.384 1.00 0.00 C ATOM 0 H PHE A 65 13.281 13.669 10.293 1.00 0.00 H new ATOM 0 HA PHE A 65 12.976 11.606 12.407 1.00 0.00 H new ATOM 0 HB2 PHE A 65 15.597 12.212 11.022 1.00 0.00 H new ATOM 0 HB3 PHE A 65 15.083 10.730 11.803 1.00 0.00 H new ATOM 0 HD1 PHE A 65 14.511 12.896 8.818 1.00 0.00 H new ATOM 0 HD2 PHE A 65 13.902 9.031 10.591 1.00 0.00 H new ATOM 0 HE1 PHE A 65 13.715 12.022 6.638 1.00 0.00 H new ATOM 0 HE2 PHE A 65 13.105 8.157 8.410 1.00 0.00 H new ATOM 0 HZ PHE A 65 13.009 9.653 6.435 1.00 0.00 H new ATOM 1027 N ASN A 66 14.612 12.816 14.008 1.00 0.00 N ATOM 1028 CA ASN A 66 15.192 13.676 15.032 1.00 0.00 C ATOM 1029 C ASN A 66 16.665 13.942 14.739 1.00 0.00 C ATOM 1030 O ASN A 66 17.326 13.152 14.064 1.00 0.00 O ATOM 1031 CB ASN A 66 15.056 13.016 16.406 1.00 0.00 C ATOM 1032 CG ASN A 66 15.339 14.034 17.505 1.00 0.00 C ATOM 1033 OD1 ASN A 66 14.673 15.066 17.584 1.00 0.00 O ATOM 1034 ND2 ASN A 66 16.295 13.804 18.364 1.00 0.00 N ATOM 0 H ASN A 66 14.566 11.828 14.259 1.00 0.00 H new ATOM 0 HA ASN A 66 14.655 14.625 15.028 1.00 0.00 H new ATOM 0 HB2 ASN A 66 14.052 12.610 16.525 1.00 0.00 H new ATOM 0 HB3 ASN A 66 15.750 12.179 16.487 1.00 0.00 H new ATOM 0 HD21 ASN A 66 16.491 14.480 19.102 1.00 0.00 H new ATOM 0 HD22 ASN A 66 16.846 12.948 18.297 1.00 0.00 H new ATOM 1041 N GLU A 67 17.173 15.057 15.253 1.00 0.00 N ATOM 1042 CA GLU A 67 18.570 15.417 15.039 1.00 0.00 C ATOM 1043 C GLU A 67 19.478 14.226 15.326 1.00 0.00 C ATOM 1044 O GLU A 67 20.419 13.957 14.581 1.00 0.00 O ATOM 1045 CB GLU A 67 18.954 16.585 15.951 1.00 0.00 C ATOM 1046 CG GLU A 67 20.477 16.667 16.063 1.00 0.00 C ATOM 1047 CD GLU A 67 20.889 18.052 16.547 1.00 0.00 C ATOM 1048 OE1 GLU A 67 20.010 18.824 16.892 1.00 0.00 O ATOM 1049 OE2 GLU A 67 22.080 18.321 16.567 1.00 0.00 O ATOM 0 H GLU A 67 16.643 15.722 15.816 1.00 0.00 H new ATOM 0 HA GLU A 67 18.695 15.713 13.998 1.00 0.00 H new ATOM 0 HB2 GLU A 67 18.558 17.518 15.551 1.00 0.00 H new ATOM 0 HB3 GLU A 67 18.513 16.449 16.939 1.00 0.00 H new ATOM 0 HG2 GLU A 67 20.841 15.908 16.755 1.00 0.00 H new ATOM 0 HG3 GLU A 67 20.933 16.460 15.095 1.00 0.00 H new ATOM 1056 N ASP A 68 19.188 13.517 16.413 1.00 0.00 N ATOM 1057 CA ASP A 68 19.985 12.355 16.789 1.00 0.00 C ATOM 1058 C ASP A 68 19.606 11.148 15.936 1.00 0.00 C ATOM 1059 O ASP A 68 19.009 10.191 16.428 1.00 0.00 O ATOM 1060 CB ASP A 68 19.763 12.028 18.267 1.00 0.00 C ATOM 1061 CG ASP A 68 20.321 13.148 19.140 1.00 0.00 C ATOM 1062 OD1 ASP A 68 21.083 13.950 18.625 1.00 0.00 O ATOM 1063 OD2 ASP A 68 19.977 13.187 20.310 1.00 0.00 O ATOM 0 H ASP A 68 18.414 13.725 17.044 1.00 0.00 H new ATOM 0 HA ASP A 68 21.037 12.588 16.622 1.00 0.00 H new ATOM 0 HB2 ASP A 68 18.699 11.899 18.463 1.00 0.00 H new ATOM 0 HB3 ASP A 68 20.250 11.085 18.516 1.00 0.00 H new ATOM 1068 N CYS A 69 19.959 11.201 14.656 1.00 0.00 N ATOM 1069 CA CYS A 69 19.657 10.101 13.747 1.00 0.00 C ATOM 1070 C CYS A 69 20.657 10.067 12.595 1.00 0.00 C ATOM 1071 O CYS A 69 20.718 10.993 11.786 1.00 0.00 O ATOM 1072 CB CYS A 69 18.241 10.259 13.189 1.00 0.00 C ATOM 1073 SG CYS A 69 17.081 10.518 14.554 1.00 0.00 S ATOM 0 H CYS A 69 20.450 11.986 14.227 1.00 0.00 H new ATOM 0 HA CYS A 69 19.728 9.166 14.303 1.00 0.00 H new ATOM 0 HB2 CYS A 69 18.202 11.102 12.500 1.00 0.00 H new ATOM 0 HB3 CYS A 69 17.960 9.371 12.623 1.00 0.00 H new ATOM 0 HG CYS A 69 16.053 9.737 14.404 1.00 0.00 H new ATOM 1079 N ASP A 70 21.438 8.994 12.527 1.00 0.00 N ATOM 1080 CA ASP A 70 22.434 8.852 11.472 1.00 0.00 C ATOM 1081 C ASP A 70 21.774 8.407 10.171 1.00 0.00 C ATOM 1082 O ASP A 70 21.804 7.228 9.820 1.00 0.00 O ATOM 1083 CB ASP A 70 23.493 7.827 11.887 1.00 0.00 C ATOM 1084 CG ASP A 70 24.505 8.474 12.825 1.00 0.00 C ATOM 1085 OD1 ASP A 70 24.355 9.652 13.107 1.00 0.00 O ATOM 1086 OD2 ASP A 70 25.417 7.783 13.249 1.00 0.00 O ATOM 0 H ASP A 70 21.401 8.215 13.185 1.00 0.00 H new ATOM 0 HA ASP A 70 22.909 9.820 11.313 1.00 0.00 H new ATOM 0 HB2 ASP A 70 23.017 6.980 12.381 1.00 0.00 H new ATOM 0 HB3 ASP A 70 24.000 7.438 11.004 1.00 0.00 H new ATOM 1091 N ILE A 71 21.177 9.359 9.462 1.00 0.00 N ATOM 1092 CA ILE A 71 20.508 9.055 8.203 1.00 0.00 C ATOM 1093 C ILE A 71 21.012 9.971 7.092 1.00 0.00 C ATOM 1094 O ILE A 71 21.588 11.026 7.359 1.00 0.00 O ATOM 1095 CB ILE A 71 18.996 9.226 8.362 1.00 0.00 C ATOM 1096 CG1 ILE A 71 18.686 10.677 8.738 1.00 0.00 C ATOM 1097 CG2 ILE A 71 18.491 8.296 9.466 1.00 0.00 C ATOM 1098 CD1 ILE A 71 17.171 10.867 8.840 1.00 0.00 C ATOM 0 H ILE A 71 21.143 10.341 9.735 1.00 0.00 H new ATOM 0 HA ILE A 71 20.731 8.022 7.935 1.00 0.00 H new ATOM 0 HB ILE A 71 18.501 8.978 7.423 1.00 0.00 H new ATOM 0 HG12 ILE A 71 19.159 10.926 9.688 1.00 0.00 H new ATOM 0 HG13 ILE A 71 19.098 11.354 7.989 1.00 0.00 H new ATOM 0 HG21 ILE A 71 17.414 8.418 9.580 1.00 0.00 H new ATOM 0 HG22 ILE A 71 18.714 7.262 9.201 1.00 0.00 H new ATOM 0 HG23 ILE A 71 18.985 8.544 10.405 1.00 0.00 H new ATOM 0 HD11 ILE A 71 16.951 11.900 9.108 1.00 0.00 H new ATOM 0 HD12 ILE A 71 16.710 10.635 7.880 1.00 0.00 H new ATOM 0 HD13 ILE A 71 16.771 10.201 9.605 1.00 0.00 H new ATOM 1110 N LYS A 72 20.794 9.560 5.847 1.00 0.00 N ATOM 1111 CA LYS A 72 21.218 10.362 4.704 1.00 0.00 C ATOM 1112 C LYS A 72 20.188 10.284 3.581 1.00 0.00 C ATOM 1113 O LYS A 72 19.086 9.769 3.770 1.00 0.00 O ATOM 1114 CB LYS A 72 22.571 9.863 4.192 1.00 0.00 C ATOM 1115 CG LYS A 72 22.480 8.368 3.880 1.00 0.00 C ATOM 1116 CD LYS A 72 22.976 8.114 2.455 1.00 0.00 C ATOM 1117 CE LYS A 72 24.495 8.288 2.403 1.00 0.00 C ATOM 1118 NZ LYS A 72 25.133 7.375 3.393 1.00 0.00 N ATOM 0 H LYS A 72 20.330 8.684 5.604 1.00 0.00 H new ATOM 0 HA LYS A 72 21.309 11.399 5.026 1.00 0.00 H new ATOM 0 HB2 LYS A 72 22.859 10.415 3.297 1.00 0.00 H new ATOM 0 HB3 LYS A 72 23.343 10.043 4.940 1.00 0.00 H new ATOM 0 HG2 LYS A 72 23.079 7.800 4.592 1.00 0.00 H new ATOM 0 HG3 LYS A 72 21.450 8.026 3.985 1.00 0.00 H new ATOM 0 HD2 LYS A 72 22.704 7.107 2.138 1.00 0.00 H new ATOM 0 HD3 LYS A 72 22.496 8.806 1.763 1.00 0.00 H new ATOM 0 HE2 LYS A 72 24.863 8.069 1.401 1.00 0.00 H new ATOM 0 HE3 LYS A 72 24.761 9.322 2.622 1.00 0.00 H new ATOM 0 HZ1 LYS A 72 26.107 7.165 3.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 72 25.148 7.832 4.327 1.00 0.00 H new ATOM 0 HZ3 LYS A 72 24.590 6.490 3.449 1.00 0.00 H new ATOM 1132 N ALA A 73 20.556 10.798 2.411 1.00 0.00 N ATOM 1133 CA ALA A 73 19.656 10.783 1.264 1.00 0.00 C ATOM 1134 C ALA A 73 20.186 9.850 0.180 1.00 0.00 C ATOM 1135 O ALA A 73 21.392 9.780 -0.057 1.00 0.00 O ATOM 1136 CB ALA A 73 19.509 12.196 0.697 1.00 0.00 C ATOM 0 H ALA A 73 21.464 11.227 2.233 1.00 0.00 H new ATOM 0 HA ALA A 73 18.682 10.422 1.594 1.00 0.00 H new ATOM 0 HB1 ALA A 73 18.835 12.176 -0.160 1.00 0.00 H new ATOM 0 HB2 ALA A 73 19.102 12.855 1.464 1.00 0.00 H new ATOM 0 HB3 ALA A 73 20.485 12.565 0.382 1.00 0.00 H new ATOM 1142 N LEU A 74 19.278 9.132 -0.472 1.00 0.00 N ATOM 1143 CA LEU A 74 19.667 8.198 -1.522 1.00 0.00 C ATOM 1144 C LEU A 74 19.388 8.790 -2.900 1.00 0.00 C ATOM 1145 O LEU A 74 20.173 9.588 -3.413 1.00 0.00 O ATOM 1146 CB LEU A 74 18.900 6.884 -1.361 1.00 0.00 C ATOM 1147 CG LEU A 74 19.274 6.235 -0.028 1.00 0.00 C ATOM 1148 CD1 LEU A 74 18.365 5.032 0.229 1.00 0.00 C ATOM 1149 CD2 LEU A 74 20.731 5.770 -0.080 1.00 0.00 C ATOM 0 H LEU A 74 18.275 9.178 -0.294 1.00 0.00 H new ATOM 0 HA LEU A 74 20.737 8.007 -1.434 1.00 0.00 H new ATOM 0 HB2 LEU A 74 17.827 7.070 -1.398 1.00 0.00 H new ATOM 0 HB3 LEU A 74 19.135 6.210 -2.185 1.00 0.00 H new ATOM 0 HG LEU A 74 19.151 6.961 0.776 1.00 0.00 H new ATOM 0 HD11 LEU A 74 18.633 4.570 1.179 1.00 0.00 H new ATOM 0 HD12 LEU A 74 17.327 5.362 0.265 1.00 0.00 H new ATOM 0 HD13 LEU A 74 18.487 4.306 -0.574 1.00 0.00 H new ATOM 0 HD21 LEU A 74 20.999 5.307 0.870 1.00 0.00 H new ATOM 0 HD22 LEU A 74 20.853 5.045 -0.885 1.00 0.00 H new ATOM 0 HD23 LEU A 74 21.380 6.627 -0.262 1.00 0.00 H new ATOM 1161 N GLY A 75 18.267 8.393 -3.493 1.00 0.00 N ATOM 1162 CA GLY A 75 17.900 8.884 -4.816 1.00 0.00 C ATOM 1163 C GLY A 75 17.782 10.404 -4.819 1.00 0.00 C ATOM 1164 O GLY A 75 18.572 11.099 -4.181 1.00 0.00 O ATOM 0 H GLY A 75 17.602 7.738 -3.082 1.00 0.00 H new ATOM 0 HA2 GLY A 75 18.648 8.572 -5.545 1.00 0.00 H new ATOM 0 HA3 GLY A 75 16.952 8.441 -5.123 1.00 0.00 H new ATOM 1168 N LYS A 76 16.789 10.914 -5.541 1.00 0.00 N ATOM 1169 CA LYS A 76 16.583 12.356 -5.627 1.00 0.00 C ATOM 1170 C LYS A 76 16.040 12.897 -4.308 1.00 0.00 C ATOM 1171 O LYS A 76 15.909 14.108 -4.129 1.00 0.00 O ATOM 1172 CB LYS A 76 15.602 12.677 -6.755 1.00 0.00 C ATOM 1173 CG LYS A 76 14.205 12.180 -6.376 1.00 0.00 C ATOM 1174 CD LYS A 76 13.268 12.323 -7.577 1.00 0.00 C ATOM 1175 CE LYS A 76 12.680 13.735 -7.600 1.00 0.00 C ATOM 1176 NZ LYS A 76 12.294 14.090 -8.996 1.00 0.00 N ATOM 0 H LYS A 76 16.119 10.356 -6.071 1.00 0.00 H new ATOM 0 HA LYS A 76 17.542 12.830 -5.835 1.00 0.00 H new ATOM 0 HB2 LYS A 76 15.580 13.751 -6.937 1.00 0.00 H new ATOM 0 HB3 LYS A 76 15.929 12.204 -7.681 1.00 0.00 H new ATOM 0 HG2 LYS A 76 14.252 11.138 -6.060 1.00 0.00 H new ATOM 0 HG3 LYS A 76 13.821 12.752 -5.532 1.00 0.00 H new ATOM 0 HD2 LYS A 76 13.812 12.129 -8.501 1.00 0.00 H new ATOM 0 HD3 LYS A 76 12.468 11.585 -7.517 1.00 0.00 H new ATOM 0 HE2 LYS A 76 11.810 13.789 -6.946 1.00 0.00 H new ATOM 0 HE3 LYS A 76 13.409 14.450 -7.220 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 11.894 15.050 -9.012 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 13.134 14.054 -9.608 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 11.584 13.413 -9.343 1.00 0.00 H new ATOM 1190 N THR A 77 15.725 11.991 -3.388 1.00 0.00 N ATOM 1191 CA THR A 77 15.181 12.388 -2.094 1.00 0.00 C ATOM 1192 C THR A 77 15.963 13.566 -1.523 1.00 0.00 C ATOM 1193 O THR A 77 17.154 13.449 -1.234 1.00 0.00 O ATOM 1194 CB THR A 77 15.241 11.210 -1.120 1.00 0.00 C ATOM 1195 OG1 THR A 77 14.475 10.130 -1.635 1.00 0.00 O ATOM 1196 CG2 THR A 77 14.675 11.638 0.236 1.00 0.00 C ATOM 0 H THR A 77 15.836 10.985 -3.512 1.00 0.00 H new ATOM 0 HA THR A 77 14.143 12.691 -2.233 1.00 0.00 H new ATOM 0 HB THR A 77 16.277 10.894 -0.996 1.00 0.00 H new ATOM 0 HG1 THR A 77 15.010 9.309 -1.612 1.00 0.00 H new ATOM 0 HG21 THR A 77 14.718 10.798 0.930 1.00 0.00 H new ATOM 0 HG22 THR A 77 15.264 12.466 0.631 1.00 0.00 H new ATOM 0 HG23 THR A 77 13.639 11.955 0.114 1.00 0.00 H new ATOM 1204 N LYS A 78 15.287 14.697 -1.364 1.00 0.00 N ATOM 1205 CA LYS A 78 15.931 15.891 -0.826 1.00 0.00 C ATOM 1206 C LYS A 78 16.023 15.809 0.694 1.00 0.00 C ATOM 1207 O LYS A 78 15.012 15.661 1.381 1.00 0.00 O ATOM 1208 CB LYS A 78 15.139 17.137 -1.225 1.00 0.00 C ATOM 1209 CG LYS A 78 15.924 18.389 -0.828 1.00 0.00 C ATOM 1210 CD LYS A 78 15.110 19.636 -1.183 1.00 0.00 C ATOM 1211 CE LYS A 78 15.977 20.882 -0.992 1.00 0.00 C ATOM 1212 NZ LYS A 78 16.510 20.908 0.400 1.00 0.00 N ATOM 0 H LYS A 78 14.301 14.814 -1.597 1.00 0.00 H new ATOM 0 HA LYS A 78 16.938 15.955 -1.238 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.955 17.136 -2.299 1.00 0.00 H new ATOM 0 HB3 LYS A 78 14.165 17.135 -0.735 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.138 18.373 0.241 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.883 18.409 -1.345 1.00 0.00 H new ATOM 0 HD2 LYS A 78 14.763 19.576 -2.215 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.223 19.697 -0.552 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.799 20.879 -1.708 1.00 0.00 H new ATOM 0 HE3 LYS A 78 15.390 21.780 -1.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 16.547 21.890 0.739 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 15.888 20.351 1.020 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 17.467 20.501 0.413 1.00 0.00 H new ATOM 1226 N LEU A 79 17.242 15.905 1.215 1.00 0.00 N ATOM 1227 CA LEU A 79 17.455 15.835 2.655 1.00 0.00 C ATOM 1228 C LEU A 79 17.968 17.170 3.187 1.00 0.00 C ATOM 1229 O LEU A 79 18.928 17.732 2.659 1.00 0.00 O ATOM 1230 CB LEU A 79 18.464 14.733 2.981 1.00 0.00 C ATOM 1231 CG LEU A 79 18.764 14.742 4.481 1.00 0.00 C ATOM 1232 CD1 LEU A 79 17.458 14.607 5.264 1.00 0.00 C ATOM 1233 CD2 LEU A 79 19.687 13.571 4.823 1.00 0.00 C ATOM 0 H LEU A 79 18.092 16.031 0.665 1.00 0.00 H new ATOM 0 HA LEU A 79 16.502 15.608 3.133 1.00 0.00 H new ATOM 0 HB2 LEU A 79 18.066 13.762 2.685 1.00 0.00 H new ATOM 0 HB3 LEU A 79 19.383 14.887 2.415 1.00 0.00 H new ATOM 0 HG LEU A 79 19.252 15.680 4.748 1.00 0.00 H new ATOM 0 HD11 LEU A 79 17.672 14.613 6.333 1.00 0.00 H new ATOM 0 HD12 LEU A 79 16.800 15.441 5.021 1.00 0.00 H new ATOM 0 HD13 LEU A 79 16.969 13.670 4.998 1.00 0.00 H new ATOM 0 HD21 LEU A 79 19.901 13.577 5.892 1.00 0.00 H new ATOM 0 HD22 LEU A 79 19.200 12.633 4.556 1.00 0.00 H new ATOM 0 HD23 LEU A 79 20.619 13.667 4.266 1.00 0.00 H new ATOM 1245 N GLU A 80 17.322 17.671 4.234 1.00 0.00 N ATOM 1246 CA GLU A 80 17.722 18.941 4.831 1.00 0.00 C ATOM 1247 C GLU A 80 17.372 18.969 6.315 1.00 0.00 C ATOM 1248 O GLU A 80 16.442 18.292 6.756 1.00 0.00 O ATOM 1249 CB GLU A 80 17.021 20.097 4.116 1.00 0.00 C ATOM 1250 CG GLU A 80 15.508 19.864 4.128 1.00 0.00 C ATOM 1251 CD GLU A 80 14.803 20.975 3.360 1.00 0.00 C ATOM 1252 OE1 GLU A 80 15.488 21.861 2.876 1.00 0.00 O ATOM 1253 OE2 GLU A 80 13.587 20.926 3.266 1.00 0.00 O ATOM 0 H GLU A 80 16.525 17.222 4.685 1.00 0.00 H new ATOM 0 HA GLU A 80 18.801 19.049 4.723 1.00 0.00 H new ATOM 0 HB2 GLU A 80 17.258 21.040 4.608 1.00 0.00 H new ATOM 0 HB3 GLU A 80 17.379 20.174 3.090 1.00 0.00 H new ATOM 0 HG2 GLU A 80 15.277 18.898 3.680 1.00 0.00 H new ATOM 0 HG3 GLU A 80 15.145 19.834 5.155 1.00 0.00 H new ATOM 1260 N GLN A 81 18.121 19.756 7.080 1.00 0.00 N ATOM 1261 CA GLN A 81 17.881 19.863 8.514 1.00 0.00 C ATOM 1262 C GLN A 81 17.281 21.222 8.859 1.00 0.00 C ATOM 1263 O GLN A 81 17.521 22.211 8.165 1.00 0.00 O ATOM 1264 CB GLN A 81 19.192 19.672 9.279 1.00 0.00 C ATOM 1265 CG GLN A 81 18.898 19.541 10.775 1.00 0.00 C ATOM 1266 CD GLN A 81 20.195 19.315 11.543 1.00 0.00 C ATOM 1267 OE1 GLN A 81 21.250 19.120 10.939 1.00 0.00 O ATOM 1268 NE2 GLN A 81 20.181 19.332 12.848 1.00 0.00 N ATOM 0 H GLN A 81 18.894 20.325 6.734 1.00 0.00 H new ATOM 0 HA GLN A 81 17.175 19.084 8.803 1.00 0.00 H new ATOM 0 HB2 GLN A 81 19.708 18.782 8.920 1.00 0.00 H new ATOM 0 HB3 GLN A 81 19.855 20.518 9.101 1.00 0.00 H new ATOM 0 HG2 GLN A 81 18.404 20.442 11.137 1.00 0.00 H new ATOM 0 HG3 GLN A 81 18.214 18.711 10.948 1.00 0.00 H new ATOM 0 HE21 GLN A 81 19.306 19.494 13.347 1.00 0.00 H new ATOM 0 HE22 GLN A 81 21.045 19.184 13.369 1.00 0.00 H new ATOM 1277 N GLN A 82 16.501 21.264 9.933 1.00 0.00 N ATOM 1278 CA GLN A 82 15.870 22.509 10.359 1.00 0.00 C ATOM 1279 C GLN A 82 16.600 23.092 11.565 1.00 0.00 C ATOM 1280 O GLN A 82 17.437 22.430 12.177 1.00 0.00 O ATOM 1281 CB GLN A 82 14.405 22.254 10.720 1.00 0.00 C ATOM 1282 CG GLN A 82 13.855 21.122 9.850 1.00 0.00 C ATOM 1283 CD GLN A 82 14.109 21.424 8.377 1.00 0.00 C ATOM 1284 OE1 GLN A 82 14.690 20.527 7.627 1.00 0.00 O flip ATOM 1285 NE2 GLN A 82 13.772 22.506 7.898 1.00 0.00 N flip ATOM 0 H GLN A 82 16.291 20.458 10.521 1.00 0.00 H new ATOM 0 HA GLN A 82 15.922 23.223 9.537 1.00 0.00 H new ATOM 0 HB2 GLN A 82 14.320 21.991 11.774 1.00 0.00 H new ATOM 0 HB3 GLN A 82 13.819 23.161 10.569 1.00 0.00 H new ATOM 0 HG2 GLN A 82 14.329 20.179 10.123 1.00 0.00 H new ATOM 0 HG3 GLN A 82 12.786 21.004 10.026 1.00 0.00 H new ATOM 0 HE21 GLN A 82 13.318 23.205 8.486 1.00 0.00 H new ATOM 0 HE22 GLN A 82 13.946 22.704 6.913 1.00 0.00 H new ATOM 1294 N GLU A 83 16.274 24.336 11.902 1.00 0.00 N ATOM 1295 CA GLU A 83 16.903 24.998 13.039 1.00 0.00 C ATOM 1296 C GLU A 83 16.525 24.301 14.342 1.00 0.00 C ATOM 1297 O GLU A 83 17.340 24.189 15.258 1.00 0.00 O ATOM 1298 CB GLU A 83 16.468 26.464 13.097 1.00 0.00 C ATOM 1299 CG GLU A 83 16.841 27.160 11.788 1.00 0.00 C ATOM 1300 CD GLU A 83 16.483 28.640 11.865 1.00 0.00 C ATOM 1301 OE1 GLU A 83 15.819 29.020 12.814 1.00 0.00 O ATOM 1302 OE2 GLU A 83 16.879 29.371 10.971 1.00 0.00 O ATOM 0 H GLU A 83 15.584 24.902 11.408 1.00 0.00 H new ATOM 0 HA GLU A 83 17.984 24.945 12.913 1.00 0.00 H new ATOM 0 HB2 GLU A 83 15.392 26.529 13.262 1.00 0.00 H new ATOM 0 HB3 GLU A 83 16.950 26.964 13.937 1.00 0.00 H new ATOM 0 HG2 GLU A 83 17.908 27.045 11.596 1.00 0.00 H new ATOM 0 HG3 GLU A 83 16.315 26.693 10.955 1.00 0.00 H new ATOM 1309 N ASN A 84 15.283 23.833 14.417 1.00 0.00 N ATOM 1310 CA ASN A 84 14.805 23.151 15.614 1.00 0.00 C ATOM 1311 C ASN A 84 15.659 21.921 15.908 1.00 0.00 C ATOM 1312 O ASN A 84 15.755 21.479 17.053 1.00 0.00 O ATOM 1313 CB ASN A 84 13.347 22.728 15.427 1.00 0.00 C ATOM 1314 CG ASN A 84 13.184 21.993 14.101 1.00 0.00 C ATOM 1315 OD1 ASN A 84 13.929 20.951 13.848 1.00 0.00 O flip ATOM 1316 ND2 ASN A 84 12.358 22.378 13.274 1.00 0.00 N flip ATOM 0 H ASN A 84 14.594 23.913 13.669 1.00 0.00 H new ATOM 0 HA ASN A 84 14.879 23.840 16.455 1.00 0.00 H new ATOM 0 HB2 ASN A 84 13.038 22.083 16.250 1.00 0.00 H new ATOM 0 HB3 ASN A 84 12.700 23.605 15.448 1.00 0.00 H new ATOM 0 HD21 ASN A 84 11.777 23.192 13.474 1.00 0.00 H new ATOM 0 HD22 ASN A 84 12.254 21.883 12.388 1.00 0.00 H new ATOM 1323 N GLY A 85 16.275 21.373 14.866 1.00 0.00 N ATOM 1324 CA GLY A 85 17.130 20.202 15.026 1.00 0.00 C ATOM 1325 C GLY A 85 16.403 18.936 14.586 1.00 0.00 C ATOM 1326 O GLY A 85 16.292 17.976 15.349 1.00 0.00 O ATOM 0 H GLY A 85 16.200 21.717 13.909 1.00 0.00 H new ATOM 0 HA2 GLY A 85 18.039 20.327 14.438 1.00 0.00 H new ATOM 0 HA3 GLY A 85 17.434 20.108 16.068 1.00 0.00 H new ATOM 1330 N GLU A 86 15.911 18.942 13.352 1.00 0.00 N ATOM 1331 CA GLU A 86 15.217 17.777 12.812 1.00 0.00 C ATOM 1332 C GLU A 86 15.568 17.578 11.341 1.00 0.00 C ATOM 1333 O GLU A 86 15.841 18.540 10.622 1.00 0.00 O ATOM 1334 CB GLU A 86 13.705 17.958 12.956 1.00 0.00 C ATOM 1335 CG GLU A 86 13.331 17.982 14.440 1.00 0.00 C ATOM 1336 CD GLU A 86 11.821 18.122 14.595 1.00 0.00 C ATOM 1337 OE1 GLU A 86 11.161 18.343 13.593 1.00 0.00 O ATOM 1338 OE2 GLU A 86 11.346 18.005 15.712 1.00 0.00 O ATOM 0 H GLU A 86 15.978 19.733 12.711 1.00 0.00 H new ATOM 0 HA GLU A 86 15.534 16.897 13.372 1.00 0.00 H new ATOM 0 HB2 GLU A 86 13.392 18.885 12.476 1.00 0.00 H new ATOM 0 HB3 GLU A 86 13.181 17.146 12.451 1.00 0.00 H new ATOM 0 HG2 GLU A 86 13.671 17.067 14.924 1.00 0.00 H new ATOM 0 HG3 GLU A 86 13.834 18.811 14.937 1.00 0.00 H new ATOM 1345 N TRP A 87 15.556 16.325 10.899 1.00 0.00 N ATOM 1346 CA TRP A 87 15.871 16.012 9.510 1.00 0.00 C ATOM 1347 C TRP A 87 14.595 15.732 8.722 1.00 0.00 C ATOM 1348 O TRP A 87 13.686 15.064 9.214 1.00 0.00 O ATOM 1349 CB TRP A 87 16.791 14.790 9.443 1.00 0.00 C ATOM 1350 CG TRP A 87 18.139 15.152 9.979 1.00 0.00 C ATOM 1351 CD1 TRP A 87 18.545 14.958 11.255 1.00 0.00 C ATOM 1352 CD2 TRP A 87 19.260 15.768 9.282 1.00 0.00 C ATOM 1353 NE1 TRP A 87 19.845 15.414 11.384 1.00 0.00 N ATOM 1354 CE2 TRP A 87 20.330 15.922 10.196 1.00 0.00 C ATOM 1355 CE3 TRP A 87 19.451 16.206 7.959 1.00 0.00 C ATOM 1356 CZ2 TRP A 87 21.544 16.492 9.811 1.00 0.00 C ATOM 1357 CZ3 TRP A 87 20.672 16.780 7.568 1.00 0.00 C ATOM 1358 CH2 TRP A 87 21.716 16.922 8.493 1.00 0.00 C ATOM 0 H TRP A 87 15.333 15.515 11.478 1.00 0.00 H new ATOM 0 HA TRP A 87 16.377 16.872 9.070 1.00 0.00 H new ATOM 0 HB2 TRP A 87 16.366 13.969 10.021 1.00 0.00 H new ATOM 0 HB3 TRP A 87 16.878 14.443 8.413 1.00 0.00 H new ATOM 0 HD1 TRP A 87 17.952 14.519 12.044 1.00 0.00 H new ATOM 0 HE1 TRP A 87 20.380 15.379 12.252 1.00 0.00 H new ATOM 0 HE3 TRP A 87 18.653 16.100 7.239 1.00 0.00 H new ATOM 0 HZ2 TRP A 87 22.345 16.600 10.527 1.00 0.00 H new ATOM 0 HZ3 TRP A 87 20.807 17.114 6.550 1.00 0.00 H new ATOM 0 HH2 TRP A 87 22.653 17.364 8.187 1.00 0.00 H new ATOM 1369 N VAL A 88 14.535 16.249 7.500 1.00 0.00 N ATOM 1370 CA VAL A 88 13.363 16.048 6.654 1.00 0.00 C ATOM 1371 C VAL A 88 13.765 15.423 5.321 1.00 0.00 C ATOM 1372 O VAL A 88 14.755 15.827 4.709 1.00 0.00 O ATOM 1373 CB VAL A 88 12.663 17.383 6.404 1.00 0.00 C ATOM 1374 CG1 VAL A 88 11.509 17.179 5.421 1.00 0.00 C ATOM 1375 CG2 VAL A 88 12.115 17.926 7.726 1.00 0.00 C ATOM 0 H VAL A 88 15.277 16.806 7.075 1.00 0.00 H new ATOM 0 HA VAL A 88 12.680 15.372 7.168 1.00 0.00 H new ATOM 0 HB VAL A 88 13.376 18.093 5.985 1.00 0.00 H new ATOM 0 HG11 VAL A 88 11.010 18.132 5.243 1.00 0.00 H new ATOM 0 HG12 VAL A 88 11.897 16.791 4.479 1.00 0.00 H new ATOM 0 HG13 VAL A 88 10.796 16.469 5.839 1.00 0.00 H new ATOM 0 HG21 VAL A 88 11.615 18.878 7.549 1.00 0.00 H new ATOM 0 HG22 VAL A 88 11.403 17.215 8.144 1.00 0.00 H new ATOM 0 HG23 VAL A 88 12.936 18.072 8.428 1.00 0.00 H new ATOM 1385 N ALA A 89 12.992 14.438 4.878 1.00 0.00 N ATOM 1386 CA ALA A 89 13.278 13.763 3.617 1.00 0.00 C ATOM 1387 C ALA A 89 11.985 13.451 2.871 1.00 0.00 C ATOM 1388 O ALA A 89 11.245 12.542 3.246 1.00 0.00 O ATOM 1389 CB ALA A 89 14.042 12.464 3.881 1.00 0.00 C ATOM 0 H ALA A 89 12.168 14.091 5.369 1.00 0.00 H new ATOM 0 HA ALA A 89 13.888 14.425 3.003 1.00 0.00 H new ATOM 0 HB1 ALA A 89 14.252 11.966 2.934 1.00 0.00 H new ATOM 0 HB2 ALA A 89 14.980 12.690 4.387 1.00 0.00 H new ATOM 0 HB3 ALA A 89 13.439 11.809 4.510 1.00 0.00 H new ATOM 1395 N SER A 90 11.718 14.212 1.815 1.00 0.00 N ATOM 1396 CA SER A 90 10.501 14.019 1.035 1.00 0.00 C ATOM 1397 C SER A 90 10.839 13.624 -0.399 1.00 0.00 C ATOM 1398 O SER A 90 11.843 14.067 -0.956 1.00 0.00 O ATOM 1399 CB SER A 90 9.676 15.305 1.029 1.00 0.00 C ATOM 1400 OG SER A 90 10.314 16.268 0.201 1.00 0.00 O ATOM 0 H SER A 90 12.323 14.963 1.481 1.00 0.00 H new ATOM 0 HA SER A 90 9.922 13.217 1.494 1.00 0.00 H new ATOM 0 HB2 SER A 90 8.669 15.103 0.663 1.00 0.00 H new ATOM 0 HB3 SER A 90 9.575 15.691 2.043 1.00 0.00 H new ATOM 0 HG SER A 90 9.786 17.094 0.193 1.00 0.00 H new ATOM 1406 N VAL A 91 9.994 12.786 -0.990 1.00 0.00 N ATOM 1407 CA VAL A 91 10.206 12.342 -2.363 1.00 0.00 C ATOM 1408 C VAL A 91 8.916 11.774 -2.945 1.00 0.00 C ATOM 1409 O VAL A 91 8.114 11.170 -2.232 1.00 0.00 O ATOM 1410 CB VAL A 91 11.301 11.276 -2.405 1.00 0.00 C ATOM 1411 CG1 VAL A 91 10.756 9.962 -1.844 1.00 0.00 C ATOM 1412 CG2 VAL A 91 11.750 11.064 -3.853 1.00 0.00 C ATOM 0 H VAL A 91 9.161 12.403 -0.543 1.00 0.00 H new ATOM 0 HA VAL A 91 10.514 13.200 -2.960 1.00 0.00 H new ATOM 0 HB VAL A 91 12.150 11.603 -1.804 1.00 0.00 H new ATOM 0 HG11 VAL A 91 11.537 9.202 -1.874 1.00 0.00 H new ATOM 0 HG12 VAL A 91 10.435 10.112 -0.813 1.00 0.00 H new ATOM 0 HG13 VAL A 91 9.907 9.634 -2.444 1.00 0.00 H new ATOM 0 HG21 VAL A 91 12.531 10.304 -3.884 1.00 0.00 H new ATOM 0 HG22 VAL A 91 10.901 10.737 -4.453 1.00 0.00 H new ATOM 0 HG23 VAL A 91 12.138 12.000 -4.254 1.00 0.00 H new ATOM 1422 N VAL A 92 8.720 11.973 -4.245 1.00 0.00 N ATOM 1423 CA VAL A 92 7.522 11.478 -4.912 1.00 0.00 C ATOM 1424 C VAL A 92 7.852 10.273 -5.786 1.00 0.00 C ATOM 1425 O VAL A 92 8.845 10.273 -6.511 1.00 0.00 O ATOM 1426 CB VAL A 92 6.911 12.583 -5.774 1.00 0.00 C ATOM 1427 CG1 VAL A 92 5.540 12.136 -6.285 1.00 0.00 C ATOM 1428 CG2 VAL A 92 6.750 13.853 -4.934 1.00 0.00 C ATOM 0 H VAL A 92 9.371 12.470 -4.853 1.00 0.00 H new ATOM 0 HA VAL A 92 6.805 11.173 -4.149 1.00 0.00 H new ATOM 0 HB VAL A 92 7.566 12.785 -6.621 1.00 0.00 H new ATOM 0 HG11 VAL A 92 5.106 12.925 -6.899 1.00 0.00 H new ATOM 0 HG12 VAL A 92 5.652 11.231 -6.882 1.00 0.00 H new ATOM 0 HG13 VAL A 92 4.884 11.933 -5.438 1.00 0.00 H new ATOM 0 HG21 VAL A 92 6.314 14.642 -5.547 1.00 0.00 H new ATOM 0 HG22 VAL A 92 6.095 13.648 -4.087 1.00 0.00 H new ATOM 0 HG23 VAL A 92 7.726 14.174 -4.569 1.00 0.00 H new ATOM 1438 N VAL A 93 7.009 9.247 -5.712 1.00 0.00 N ATOM 1439 CA VAL A 93 7.221 8.038 -6.500 1.00 0.00 C ATOM 1440 C VAL A 93 6.080 7.842 -7.493 1.00 0.00 C ATOM 1441 O VAL A 93 4.907 7.881 -7.120 1.00 0.00 O ATOM 1442 CB VAL A 93 7.311 6.822 -5.578 1.00 0.00 C ATOM 1443 CG1 VAL A 93 7.680 5.585 -6.398 1.00 0.00 C ATOM 1444 CG2 VAL A 93 8.385 7.067 -4.515 1.00 0.00 C ATOM 0 H VAL A 93 6.179 9.228 -5.119 1.00 0.00 H new ATOM 0 HA VAL A 93 8.155 8.144 -7.051 1.00 0.00 H new ATOM 0 HB VAL A 93 6.348 6.662 -5.093 1.00 0.00 H new ATOM 0 HG11 VAL A 93 7.744 4.718 -5.740 1.00 0.00 H new ATOM 0 HG12 VAL A 93 6.916 5.410 -7.156 1.00 0.00 H new ATOM 0 HG13 VAL A 93 8.643 5.744 -6.883 1.00 0.00 H new ATOM 0 HG21 VAL A 93 8.450 6.200 -3.857 1.00 0.00 H new ATOM 0 HG22 VAL A 93 9.348 7.227 -5.001 1.00 0.00 H new ATOM 0 HG23 VAL A 93 8.123 7.948 -3.930 1.00 0.00 H new ATOM 1454 N TYR A 94 6.429 7.632 -8.757 1.00 0.00 N ATOM 1455 CA TYR A 94 5.424 7.432 -9.794 1.00 0.00 C ATOM 1456 C TYR A 94 5.110 5.948 -9.954 1.00 0.00 C ATOM 1457 O TYR A 94 5.932 5.091 -9.633 1.00 0.00 O ATOM 1458 CB TYR A 94 5.924 8.000 -11.123 1.00 0.00 C ATOM 1459 CG TYR A 94 6.106 9.493 -10.995 1.00 0.00 C ATOM 1460 CD1 TYR A 94 4.996 10.318 -10.775 1.00 0.00 C ATOM 1461 CD2 TYR A 94 7.386 10.054 -11.093 1.00 0.00 C ATOM 1462 CE1 TYR A 94 5.165 11.702 -10.655 1.00 0.00 C ATOM 1463 CE2 TYR A 94 7.555 11.438 -10.974 1.00 0.00 C ATOM 1464 CZ TYR A 94 6.445 12.262 -10.755 1.00 0.00 C ATOM 1465 OH TYR A 94 6.612 13.627 -10.638 1.00 0.00 O ATOM 0 H TYR A 94 7.393 7.596 -9.087 1.00 0.00 H new ATOM 0 HA TYR A 94 4.514 7.954 -9.499 1.00 0.00 H new ATOM 0 HB2 TYR A 94 6.868 7.530 -11.400 1.00 0.00 H new ATOM 0 HB3 TYR A 94 5.212 7.776 -11.917 1.00 0.00 H new ATOM 0 HD1 TYR A 94 4.009 9.886 -10.698 1.00 0.00 H new ATOM 0 HD2 TYR A 94 8.243 9.418 -11.260 1.00 0.00 H new ATOM 0 HE1 TYR A 94 4.309 12.338 -10.485 1.00 0.00 H new ATOM 0 HE2 TYR A 94 8.542 11.870 -11.051 1.00 0.00 H new ATOM 0 HH TYR A 94 7.562 13.849 -10.731 1.00 0.00 H new ATOM 1475 N PRO A 95 3.940 5.639 -10.444 1.00 0.00 N ATOM 1476 CA PRO A 95 3.499 4.228 -10.651 1.00 0.00 C ATOM 1477 C PRO A 95 4.395 3.487 -11.640 1.00 0.00 C ATOM 1478 O PRO A 95 5.046 4.102 -12.484 1.00 0.00 O ATOM 1479 CB PRO A 95 2.073 4.359 -11.196 1.00 0.00 C ATOM 1480 CG PRO A 95 1.635 5.745 -10.857 1.00 0.00 C ATOM 1481 CD PRO A 95 2.890 6.616 -10.859 1.00 0.00 C ATOM 0 HA PRO A 95 3.550 3.647 -9.730 1.00 0.00 H new ATOM 0 HB2 PRO A 95 2.049 4.194 -12.273 1.00 0.00 H new ATOM 0 HB3 PRO A 95 1.412 3.619 -10.745 1.00 0.00 H new ATOM 0 HG2 PRO A 95 0.910 6.110 -11.584 1.00 0.00 H new ATOM 0 HG3 PRO A 95 1.149 5.769 -9.882 1.00 0.00 H new ATOM 0 HD2 PRO A 95 3.092 7.040 -11.843 1.00 0.00 H new ATOM 0 HD3 PRO A 95 2.810 7.451 -10.162 1.00 0.00 H new ATOM 1489 N CYS A 96 4.422 2.163 -11.527 1.00 0.00 N ATOM 1490 CA CYS A 96 5.240 1.347 -12.416 1.00 0.00 C ATOM 1491 C CYS A 96 6.712 1.726 -12.285 1.00 0.00 C ATOM 1492 O CYS A 96 7.550 1.278 -13.066 1.00 0.00 O ATOM 1493 CB CYS A 96 4.788 1.539 -13.865 1.00 0.00 C ATOM 1494 SG CYS A 96 5.474 0.214 -14.891 1.00 0.00 S ATOM 0 H CYS A 96 3.891 1.636 -10.834 1.00 0.00 H new ATOM 0 HA CYS A 96 5.119 0.301 -12.134 1.00 0.00 H new ATOM 0 HB2 CYS A 96 3.700 1.531 -13.922 1.00 0.00 H new ATOM 0 HB3 CYS A 96 5.120 2.509 -14.235 1.00 0.00 H new ATOM 0 HG CYS A 96 6.726 0.036 -14.589 1.00 0.00 H new ATOM 1500 N GLU A 97 7.017 2.554 -11.290 1.00 0.00 N ATOM 1501 CA GLU A 97 8.391 2.986 -11.063 1.00 0.00 C ATOM 1502 C GLU A 97 8.753 2.863 -9.586 1.00 0.00 C ATOM 1503 O GLU A 97 7.900 3.017 -8.712 1.00 0.00 O ATOM 1504 CB GLU A 97 8.562 4.438 -11.513 1.00 0.00 C ATOM 1505 CG GLU A 97 8.534 4.506 -13.041 1.00 0.00 C ATOM 1506 CD GLU A 97 9.804 3.882 -13.612 1.00 0.00 C ATOM 1507 OE1 GLU A 97 10.751 3.723 -12.861 1.00 0.00 O ATOM 1508 OE2 GLU A 97 9.809 3.574 -14.793 1.00 0.00 O ATOM 0 H GLU A 97 6.337 2.936 -10.633 1.00 0.00 H new ATOM 0 HA GLU A 97 9.055 2.345 -11.643 1.00 0.00 H new ATOM 0 HB2 GLU A 97 7.766 5.055 -11.096 1.00 0.00 H new ATOM 0 HB3 GLU A 97 9.504 4.837 -11.138 1.00 0.00 H new ATOM 0 HG2 GLU A 97 7.658 3.981 -13.421 1.00 0.00 H new ATOM 0 HG3 GLU A 97 8.450 5.543 -13.366 1.00 0.00 H new ATOM 1515 N THR A 98 10.024 2.587 -9.315 1.00 0.00 N ATOM 1516 CA THR A 98 10.490 2.446 -7.940 1.00 0.00 C ATOM 1517 C THR A 98 11.719 3.316 -7.700 1.00 0.00 C ATOM 1518 O THR A 98 12.612 3.393 -8.543 1.00 0.00 O ATOM 1519 CB THR A 98 10.834 0.983 -7.651 1.00 0.00 C ATOM 1520 OG1 THR A 98 9.818 0.146 -8.186 1.00 0.00 O ATOM 1521 CG2 THR A 98 10.931 0.768 -6.139 1.00 0.00 C ATOM 0 H THR A 98 10.746 2.457 -10.024 1.00 0.00 H new ATOM 0 HA THR A 98 9.692 2.770 -7.271 1.00 0.00 H new ATOM 0 HB THR A 98 11.790 0.736 -8.112 1.00 0.00 H new ATOM 0 HG1 THR A 98 9.746 -0.668 -7.645 1.00 0.00 H new ATOM 0 HG21 THR A 98 11.176 -0.274 -5.935 1.00 0.00 H new ATOM 0 HG22 THR A 98 11.710 1.411 -5.729 1.00 0.00 H new ATOM 0 HG23 THR A 98 9.976 1.014 -5.675 1.00 0.00 H new ATOM 1529 N GLU A 99 11.758 3.972 -6.544 1.00 0.00 N ATOM 1530 CA GLU A 99 12.880 4.841 -6.208 1.00 0.00 C ATOM 1531 C GLU A 99 13.336 4.597 -4.773 1.00 0.00 C ATOM 1532 O GLU A 99 12.569 4.116 -3.940 1.00 0.00 O ATOM 1533 CB GLU A 99 12.474 6.307 -6.374 1.00 0.00 C ATOM 1534 CG GLU A 99 12.020 6.551 -7.815 1.00 0.00 C ATOM 1535 CD GLU A 99 13.191 6.349 -8.771 1.00 0.00 C ATOM 1536 OE1 GLU A 99 14.320 6.387 -8.309 1.00 0.00 O ATOM 1537 OE2 GLU A 99 12.941 6.160 -9.949 1.00 0.00 O ATOM 0 H GLU A 99 11.032 3.919 -5.830 1.00 0.00 H new ATOM 0 HA GLU A 99 13.705 4.614 -6.883 1.00 0.00 H new ATOM 0 HB2 GLU A 99 11.669 6.553 -5.681 1.00 0.00 H new ATOM 0 HB3 GLU A 99 13.314 6.958 -6.131 1.00 0.00 H new ATOM 0 HG2 GLU A 99 11.209 5.869 -8.070 1.00 0.00 H new ATOM 0 HG3 GLU A 99 11.628 7.563 -7.915 1.00 0.00 H new ATOM 1544 N MET A 100 14.591 4.933 -4.492 1.00 0.00 N ATOM 1545 CA MET A 100 15.137 4.757 -3.151 1.00 0.00 C ATOM 1546 C MET A 100 14.772 5.941 -2.262 1.00 0.00 C ATOM 1547 O MET A 100 14.539 7.046 -2.751 1.00 0.00 O ATOM 1548 CB MET A 100 16.660 4.622 -3.221 1.00 0.00 C ATOM 1549 CG MET A 100 17.026 3.298 -3.895 1.00 0.00 C ATOM 1550 SD MET A 100 18.685 2.795 -3.376 1.00 0.00 S ATOM 1551 CE MET A 100 18.208 2.016 -1.814 1.00 0.00 C ATOM 0 H MET A 100 15.245 5.326 -5.169 1.00 0.00 H new ATOM 0 HA MET A 100 14.710 3.850 -2.723 1.00 0.00 H new ATOM 0 HB2 MET A 100 17.084 5.456 -3.780 1.00 0.00 H new ATOM 0 HB3 MET A 100 17.085 4.661 -2.218 1.00 0.00 H new ATOM 0 HG2 MET A 100 16.301 2.529 -3.628 1.00 0.00 H new ATOM 0 HG3 MET A 100 16.990 3.407 -4.979 1.00 0.00 H new ATOM 0 HE1 MET A 100 18.995 2.169 -1.076 1.00 0.00 H new ATOM 0 HE2 MET A 100 17.281 2.461 -1.454 1.00 0.00 H new ATOM 0 HE3 MET A 100 18.061 0.947 -1.970 1.00 0.00 H new ATOM 1561 N PHE A 101 14.725 5.702 -0.956 1.00 0.00 N ATOM 1562 CA PHE A 101 14.372 6.753 -0.010 1.00 0.00 C ATOM 1563 C PHE A 101 15.591 7.172 0.805 1.00 0.00 C ATOM 1564 O PHE A 101 16.428 7.943 0.336 1.00 0.00 O ATOM 1565 CB PHE A 101 13.270 6.262 0.933 1.00 0.00 C ATOM 1566 CG PHE A 101 12.848 7.390 1.842 1.00 0.00 C ATOM 1567 CD1 PHE A 101 12.641 8.671 1.316 1.00 0.00 C ATOM 1568 CD2 PHE A 101 12.605 7.144 3.199 1.00 0.00 C ATOM 1569 CE1 PHE A 101 12.210 9.710 2.150 1.00 0.00 C ATOM 1570 CE2 PHE A 101 12.172 8.181 4.032 1.00 0.00 C ATOM 1571 CZ PHE A 101 11.976 9.465 3.508 1.00 0.00 C ATOM 0 H PHE A 101 14.925 4.797 -0.531 1.00 0.00 H new ATOM 0 HA PHE A 101 14.011 7.614 -0.573 1.00 0.00 H new ATOM 0 HB2 PHE A 101 12.416 5.905 0.357 1.00 0.00 H new ATOM 0 HB3 PHE A 101 13.630 5.420 1.524 1.00 0.00 H new ATOM 0 HD1 PHE A 101 12.814 8.858 0.266 1.00 0.00 H new ATOM 0 HD2 PHE A 101 12.752 6.153 3.603 1.00 0.00 H new ATOM 0 HE1 PHE A 101 12.058 10.700 1.746 1.00 0.00 H new ATOM 0 HE2 PHE A 101 11.989 7.992 5.079 1.00 0.00 H new ATOM 0 HZ PHE A 101 11.644 10.266 4.152 1.00 0.00 H new ATOM 1581 N ILE A 102 15.684 6.659 2.028 1.00 0.00 N ATOM 1582 CA ILE A 102 16.809 6.983 2.898 1.00 0.00 C ATOM 1583 C ILE A 102 17.366 5.720 3.547 1.00 0.00 C ATOM 1584 O ILE A 102 16.695 4.688 3.596 1.00 0.00 O ATOM 1585 CB ILE A 102 16.363 7.963 3.984 1.00 0.00 C ATOM 1586 CG1 ILE A 102 15.414 7.253 4.952 1.00 0.00 C ATOM 1587 CG2 ILE A 102 15.638 9.146 3.339 1.00 0.00 C ATOM 1588 CD1 ILE A 102 16.229 6.490 5.999 1.00 0.00 C ATOM 0 H ILE A 102 15.000 6.022 2.436 1.00 0.00 H new ATOM 0 HA ILE A 102 17.591 7.442 2.293 1.00 0.00 H new ATOM 0 HB ILE A 102 17.236 8.324 4.527 1.00 0.00 H new ATOM 0 HG12 ILE A 102 14.765 7.980 5.440 1.00 0.00 H new ATOM 0 HG13 ILE A 102 14.768 6.565 4.406 1.00 0.00 H new ATOM 0 HG21 ILE A 102 15.320 9.844 4.113 1.00 0.00 H new ATOM 0 HG22 ILE A 102 16.312 9.653 2.648 1.00 0.00 H new ATOM 0 HG23 ILE A 102 14.765 8.785 2.796 1.00 0.00 H new ATOM 0 HD11 ILE A 102 15.553 5.984 6.689 1.00 0.00 H new ATOM 0 HD12 ILE A 102 16.860 5.752 5.503 1.00 0.00 H new ATOM 0 HD13 ILE A 102 16.856 7.189 6.553 1.00 0.00 H new ATOM 1600 N GLU A 103 18.595 5.808 4.044 1.00 0.00 N ATOM 1601 CA GLU A 103 19.225 4.671 4.706 1.00 0.00 C ATOM 1602 C GLU A 103 19.949 5.120 5.972 1.00 0.00 C ATOM 1603 O GLU A 103 19.917 6.297 6.331 1.00 0.00 O ATOM 1604 CB GLU A 103 20.219 4.000 3.757 1.00 0.00 C ATOM 1605 CG GLU A 103 21.449 4.896 3.589 1.00 0.00 C ATOM 1606 CD GLU A 103 22.387 4.302 2.544 1.00 0.00 C ATOM 1607 OE1 GLU A 103 22.041 3.278 1.979 1.00 0.00 O ATOM 1608 OE2 GLU A 103 23.439 4.879 2.324 1.00 0.00 O ATOM 0 H GLU A 103 19.172 6.648 4.002 1.00 0.00 H new ATOM 0 HA GLU A 103 18.448 3.958 4.981 1.00 0.00 H new ATOM 0 HB2 GLU A 103 20.515 3.028 4.151 1.00 0.00 H new ATOM 0 HB3 GLU A 103 19.751 3.822 2.789 1.00 0.00 H new ATOM 0 HG2 GLU A 103 21.142 5.897 3.287 1.00 0.00 H new ATOM 0 HG3 GLU A 103 21.969 4.996 4.542 1.00 0.00 H new ATOM 1615 N GLY A 104 20.599 4.175 6.643 1.00 0.00 N ATOM 1616 CA GLY A 104 21.329 4.484 7.867 1.00 0.00 C ATOM 1617 C GLY A 104 20.533 4.064 9.097 1.00 0.00 C ATOM 1618 O GLY A 104 19.659 3.202 9.018 1.00 0.00 O ATOM 0 H GLY A 104 20.635 3.195 6.362 1.00 0.00 H new ATOM 0 HA2 GLY A 104 22.291 3.972 7.860 1.00 0.00 H new ATOM 0 HA3 GLY A 104 21.537 5.553 7.911 1.00 0.00 H new ATOM 1622 N ARG A 105 20.840 4.681 10.235 1.00 0.00 N ATOM 1623 CA ARG A 105 20.149 4.358 11.478 1.00 0.00 C ATOM 1624 C ARG A 105 19.002 5.335 11.719 1.00 0.00 C ATOM 1625 O ARG A 105 19.156 6.543 11.545 1.00 0.00 O ATOM 1626 CB ARG A 105 21.129 4.418 12.652 1.00 0.00 C ATOM 1627 CG ARG A 105 20.436 3.923 13.922 1.00 0.00 C ATOM 1628 CD ARG A 105 21.394 4.051 15.108 1.00 0.00 C ATOM 1629 NE ARG A 105 22.594 3.254 14.877 1.00 0.00 N ATOM 1630 CZ ARG A 105 23.394 2.909 15.881 1.00 0.00 C ATOM 1631 NH1 ARG A 105 23.116 3.291 17.097 1.00 0.00 N ATOM 1632 NH2 ARG A 105 24.458 2.189 15.650 1.00 0.00 N ATOM 0 H ARG A 105 21.557 5.401 10.321 1.00 0.00 H new ATOM 0 HA ARG A 105 19.743 3.350 11.397 1.00 0.00 H new ATOM 0 HB2 ARG A 105 22.005 3.804 12.440 1.00 0.00 H new ATOM 0 HB3 ARG A 105 21.482 5.440 12.793 1.00 0.00 H new ATOM 0 HG2 ARG A 105 19.532 4.504 14.106 1.00 0.00 H new ATOM 0 HG3 ARG A 105 20.128 2.885 13.800 1.00 0.00 H new ATOM 0 HD2 ARG A 105 21.666 5.096 15.254 1.00 0.00 H new ATOM 0 HD3 ARG A 105 20.899 3.720 16.021 1.00 0.00 H new ATOM 0 HE ARG A 105 22.823 2.956 13.929 1.00 0.00 H new ATOM 0 HH11 ARG A 105 22.285 3.854 17.277 1.00 0.00 H new ATOM 0 HH12 ARG A 105 23.730 3.026 17.868 1.00 0.00 H new ATOM 0 HH21 ARG A 105 24.676 1.891 14.699 1.00 0.00 H new ATOM 0 HH22 ARG A 105 25.072 1.924 16.420 1.00 0.00 H new ATOM 1646 N VAL A 106 17.851 4.803 12.118 1.00 0.00 N ATOM 1647 CA VAL A 106 16.684 5.640 12.375 1.00 0.00 C ATOM 1648 C VAL A 106 16.371 5.687 13.868 1.00 0.00 C ATOM 1649 O VAL A 106 16.282 4.652 14.527 1.00 0.00 O ATOM 1650 CB VAL A 106 15.473 5.095 11.616 1.00 0.00 C ATOM 1651 CG1 VAL A 106 14.394 6.175 11.532 1.00 0.00 C ATOM 1652 CG2 VAL A 106 15.899 4.690 10.203 1.00 0.00 C ATOM 0 H VAL A 106 17.702 3.805 12.269 1.00 0.00 H new ATOM 0 HA VAL A 106 16.905 6.650 12.031 1.00 0.00 H new ATOM 0 HB VAL A 106 15.076 4.226 12.141 1.00 0.00 H new ATOM 0 HG11 VAL A 106 13.531 5.786 10.991 1.00 0.00 H new ATOM 0 HG12 VAL A 106 14.091 6.465 12.538 1.00 0.00 H new ATOM 0 HG13 VAL A 106 14.790 7.045 11.007 1.00 0.00 H new ATOM 0 HG21 VAL A 106 15.037 4.301 9.661 1.00 0.00 H new ATOM 0 HG22 VAL A 106 16.295 5.560 9.679 1.00 0.00 H new ATOM 0 HG23 VAL A 106 16.668 3.920 10.262 1.00 0.00 H new ATOM 1662 N ASN A 107 16.202 6.898 14.391 1.00 0.00 N ATOM 1663 CA ASN A 107 15.895 7.076 15.805 1.00 0.00 C ATOM 1664 C ASN A 107 14.771 8.091 15.979 1.00 0.00 C ATOM 1665 O ASN A 107 14.890 9.241 15.555 1.00 0.00 O ATOM 1666 CB ASN A 107 17.140 7.553 16.556 1.00 0.00 C ATOM 1667 CG ASN A 107 16.740 8.160 17.896 1.00 0.00 C ATOM 1668 OD1 ASN A 107 15.894 7.610 18.600 1.00 0.00 O ATOM 1669 ND2 ASN A 107 17.303 9.269 18.293 1.00 0.00 N ATOM 0 H ASN A 107 16.272 7.766 13.860 1.00 0.00 H new ATOM 0 HA ASN A 107 15.574 6.118 16.214 1.00 0.00 H new ATOM 0 HB2 ASN A 107 17.821 6.717 16.715 1.00 0.00 H new ATOM 0 HB3 ASN A 107 17.675 8.291 15.958 1.00 0.00 H new ATOM 0 HD21 ASN A 107 17.042 9.681 19.189 1.00 0.00 H new ATOM 0 HD22 ASN A 107 18.004 9.723 17.708 1.00 0.00 H new ATOM 1676 N GLY A 108 13.679 7.660 16.602 1.00 0.00 N ATOM 1677 CA GLY A 108 12.543 8.547 16.827 1.00 0.00 C ATOM 1678 C GLY A 108 12.231 9.349 15.569 1.00 0.00 C ATOM 1679 O GLY A 108 12.855 10.378 15.308 1.00 0.00 O ATOM 0 H GLY A 108 13.557 6.712 16.957 1.00 0.00 H new ATOM 0 HA2 GLY A 108 11.670 7.962 17.118 1.00 0.00 H new ATOM 0 HA3 GLY A 108 12.762 9.225 17.652 1.00 0.00 H new ATOM 1683 N PHE A 109 11.266 8.872 14.790 1.00 0.00 N ATOM 1684 CA PHE A 109 10.892 9.555 13.556 1.00 0.00 C ATOM 1685 C PHE A 109 9.378 9.538 13.366 1.00 0.00 C ATOM 1686 O PHE A 109 8.669 8.765 14.010 1.00 0.00 O ATOM 1687 CB PHE A 109 11.562 8.871 12.364 1.00 0.00 C ATOM 1688 CG PHE A 109 11.023 7.468 12.223 1.00 0.00 C ATOM 1689 CD1 PHE A 109 11.556 6.433 13.000 1.00 0.00 C ATOM 1690 CD2 PHE A 109 9.989 7.202 11.318 1.00 0.00 C ATOM 1691 CE1 PHE A 109 11.056 5.132 12.872 1.00 0.00 C ATOM 1692 CE2 PHE A 109 9.487 5.902 11.190 1.00 0.00 C ATOM 1693 CZ PHE A 109 10.020 4.866 11.967 1.00 0.00 C ATOM 0 H PHE A 109 10.734 8.025 14.987 1.00 0.00 H new ATOM 0 HA PHE A 109 11.225 10.591 13.621 1.00 0.00 H new ATOM 0 HB2 PHE A 109 11.374 9.438 11.452 1.00 0.00 H new ATOM 0 HB3 PHE A 109 12.642 8.845 12.506 1.00 0.00 H new ATOM 0 HD1 PHE A 109 12.354 6.638 13.699 1.00 0.00 H new ATOM 0 HD2 PHE A 109 9.578 8.001 10.718 1.00 0.00 H new ATOM 0 HE1 PHE A 109 11.469 4.333 13.471 1.00 0.00 H new ATOM 0 HE2 PHE A 109 8.689 5.698 10.492 1.00 0.00 H new ATOM 0 HZ PHE A 109 9.633 3.863 11.869 1.00 0.00 H new ATOM 1703 N LYS A 110 8.892 10.396 12.475 1.00 0.00 N ATOM 1704 CA LYS A 110 7.463 10.464 12.193 1.00 0.00 C ATOM 1705 C LYS A 110 7.211 10.346 10.693 1.00 0.00 C ATOM 1706 O LYS A 110 7.799 11.077 9.896 1.00 0.00 O ATOM 1707 CB LYS A 110 6.891 11.788 12.707 1.00 0.00 C ATOM 1708 CG LYS A 110 5.393 11.850 12.402 1.00 0.00 C ATOM 1709 CD LYS A 110 4.771 13.041 13.133 1.00 0.00 C ATOM 1710 CE LYS A 110 5.447 14.334 12.671 1.00 0.00 C ATOM 1711 NZ LYS A 110 5.696 14.266 11.203 1.00 0.00 N ATOM 0 H LYS A 110 9.462 11.050 11.939 1.00 0.00 H new ATOM 0 HA LYS A 110 6.969 9.635 12.701 1.00 0.00 H new ATOM 0 HB2 LYS A 110 7.058 11.876 13.780 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.404 12.626 12.235 1.00 0.00 H new ATOM 0 HG2 LYS A 110 5.234 11.946 11.328 1.00 0.00 H new ATOM 0 HG3 LYS A 110 4.909 10.925 12.715 1.00 0.00 H new ATOM 0 HD2 LYS A 110 3.701 13.086 12.932 1.00 0.00 H new ATOM 0 HD3 LYS A 110 4.888 12.922 14.210 1.00 0.00 H new ATOM 0 HE2 LYS A 110 4.815 15.191 12.904 1.00 0.00 H new ATOM 0 HE3 LYS A 110 6.387 14.476 13.204 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 5.830 15.227 10.829 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 6.550 13.701 11.022 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 4.881 13.822 10.733 1.00 0.00 H new ATOM 1725 N SER A 111 6.341 9.416 10.316 1.00 0.00 N ATOM 1726 CA SER A 111 6.042 9.189 8.906 1.00 0.00 C ATOM 1727 C SER A 111 4.687 9.785 8.535 1.00 0.00 C ATOM 1728 O SER A 111 3.704 9.621 9.257 1.00 0.00 O ATOM 1729 CB SER A 111 6.039 7.690 8.611 1.00 0.00 C ATOM 1730 OG SER A 111 7.271 7.125 9.040 1.00 0.00 O ATOM 0 H SER A 111 5.833 8.811 10.961 1.00 0.00 H new ATOM 0 HA SER A 111 6.812 9.678 8.310 1.00 0.00 H new ATOM 0 HB2 SER A 111 5.207 7.208 9.124 1.00 0.00 H new ATOM 0 HB3 SER A 111 5.899 7.518 7.544 1.00 0.00 H new ATOM 0 HG SER A 111 7.272 6.163 8.854 1.00 0.00 H new ATOM 1736 N LYS A 112 4.646 10.472 7.397 1.00 0.00 N ATOM 1737 CA LYS A 112 3.404 11.068 6.916 1.00 0.00 C ATOM 1738 C LYS A 112 3.289 10.899 5.404 1.00 0.00 C ATOM 1739 O LYS A 112 4.162 11.337 4.654 1.00 0.00 O ATOM 1740 CB LYS A 112 3.363 12.556 7.270 1.00 0.00 C ATOM 1741 CG LYS A 112 1.989 13.127 6.916 1.00 0.00 C ATOM 1742 CD LYS A 112 1.964 14.626 7.218 1.00 0.00 C ATOM 1743 CE LYS A 112 0.536 15.154 7.066 1.00 0.00 C ATOM 1744 NZ LYS A 112 0.050 14.882 5.685 1.00 0.00 N ATOM 0 H LYS A 112 5.453 10.629 6.794 1.00 0.00 H new ATOM 0 HA LYS A 112 2.567 10.561 7.397 1.00 0.00 H new ATOM 0 HB2 LYS A 112 3.563 12.694 8.333 1.00 0.00 H new ATOM 0 HB3 LYS A 112 4.142 13.091 6.727 1.00 0.00 H new ATOM 0 HG2 LYS A 112 1.773 12.954 5.862 1.00 0.00 H new ATOM 0 HG3 LYS A 112 1.214 12.617 7.488 1.00 0.00 H new ATOM 0 HD2 LYS A 112 2.325 14.810 8.230 1.00 0.00 H new ATOM 0 HD3 LYS A 112 2.633 15.156 6.540 1.00 0.00 H new ATOM 0 HE2 LYS A 112 -0.119 14.676 7.794 1.00 0.00 H new ATOM 0 HE3 LYS A 112 0.509 16.225 7.268 1.00 0.00 H new ATOM 0 HZ1 LYS A 112 -0.494 15.699 5.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 112 0.863 14.718 5.057 1.00 0.00 H new ATOM 0 HZ3 LYS A 112 -0.559 14.039 5.691 1.00 0.00 H new ATOM 1758 N MET A 113 2.214 10.255 4.962 1.00 0.00 N ATOM 1759 CA MET A 113 2.013 10.017 3.537 1.00 0.00 C ATOM 1760 C MET A 113 0.631 10.488 3.093 1.00 0.00 C ATOM 1761 O MET A 113 -0.230 10.790 3.919 1.00 0.00 O ATOM 1762 CB MET A 113 2.165 8.526 3.231 1.00 0.00 C ATOM 1763 CG MET A 113 3.563 8.060 3.642 1.00 0.00 C ATOM 1764 SD MET A 113 3.554 7.604 5.394 1.00 0.00 S ATOM 1765 CE MET A 113 3.044 5.881 5.176 1.00 0.00 C ATOM 0 H MET A 113 1.475 9.891 5.563 1.00 0.00 H new ATOM 0 HA MET A 113 2.766 10.584 2.989 1.00 0.00 H new ATOM 0 HB2 MET A 113 1.407 7.955 3.768 1.00 0.00 H new ATOM 0 HB3 MET A 113 2.008 8.344 2.168 1.00 0.00 H new ATOM 0 HG2 MET A 113 3.867 7.208 3.035 1.00 0.00 H new ATOM 0 HG3 MET A 113 4.289 8.853 3.465 1.00 0.00 H new ATOM 0 HE1 MET A 113 3.093 5.363 6.134 1.00 0.00 H new ATOM 0 HE2 MET A 113 2.022 5.849 4.798 1.00 0.00 H new ATOM 0 HE3 MET A 113 3.710 5.392 4.465 1.00 0.00 H new ATOM 1775 N ASP A 114 0.430 10.543 1.780 1.00 0.00 N ATOM 1776 CA ASP A 114 -0.847 10.978 1.225 1.00 0.00 C ATOM 1777 C ASP A 114 -1.040 10.401 -0.175 1.00 0.00 C ATOM 1778 O ASP A 114 -0.131 9.784 -0.731 1.00 0.00 O ATOM 1779 CB ASP A 114 -0.897 12.506 1.164 1.00 0.00 C ATOM 1780 CG ASP A 114 -2.331 12.972 0.942 1.00 0.00 C ATOM 1781 OD1 ASP A 114 -3.215 12.130 0.948 1.00 0.00 O ATOM 1782 OD2 ASP A 114 -2.527 14.163 0.768 1.00 0.00 O ATOM 0 H ASP A 114 1.132 10.293 1.083 1.00 0.00 H new ATOM 0 HA ASP A 114 -1.648 10.617 1.870 1.00 0.00 H new ATOM 0 HB2 ASP A 114 -0.508 12.928 2.091 1.00 0.00 H new ATOM 0 HB3 ASP A 114 -0.259 12.867 0.357 1.00 0.00 H new ATOM 1787 N ALA A 115 -2.226 10.604 -0.738 1.00 0.00 N ATOM 1788 CA ALA A 115 -2.520 10.097 -2.075 1.00 0.00 C ATOM 1789 C ALA A 115 -2.976 11.225 -2.993 1.00 0.00 C ATOM 1790 O ALA A 115 -4.170 11.504 -3.104 1.00 0.00 O ATOM 1791 CB ALA A 115 -3.610 9.026 -1.999 1.00 0.00 C ATOM 0 H ALA A 115 -2.993 11.111 -0.296 1.00 0.00 H new ATOM 0 HA ALA A 115 -1.608 9.661 -2.484 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -3.824 8.653 -3.001 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -3.269 8.204 -1.370 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -4.515 9.458 -1.572 1.00 0.00 H new ATOM 1797 N LEU A 116 -2.017 11.869 -3.650 1.00 0.00 N ATOM 1798 CA LEU A 116 -2.331 12.964 -4.560 1.00 0.00 C ATOM 1799 C LEU A 116 -2.555 12.437 -5.974 1.00 0.00 C ATOM 1800 O LEU A 116 -1.980 11.423 -6.369 1.00 0.00 O ATOM 1801 CB LEU A 116 -1.186 13.980 -4.565 1.00 0.00 C ATOM 1802 CG LEU A 116 -0.674 14.177 -3.136 1.00 0.00 C ATOM 1803 CD1 LEU A 116 0.343 15.319 -3.108 1.00 0.00 C ATOM 1804 CD2 LEU A 116 -1.849 14.519 -2.217 1.00 0.00 C ATOM 0 H LEU A 116 -1.023 11.654 -3.570 1.00 0.00 H new ATOM 0 HA LEU A 116 -3.245 13.449 -4.217 1.00 0.00 H new ATOM 0 HB2 LEU A 116 -0.378 13.630 -5.208 1.00 0.00 H new ATOM 0 HB3 LEU A 116 -1.530 14.930 -4.974 1.00 0.00 H new ATOM 0 HG LEU A 116 -0.197 13.259 -2.793 1.00 0.00 H new ATOM 0 HD11 LEU A 116 0.706 15.458 -2.090 1.00 0.00 H new ATOM 0 HD12 LEU A 116 1.180 15.077 -3.762 1.00 0.00 H new ATOM 0 HD13 LEU A 116 -0.132 16.238 -3.452 1.00 0.00 H new ATOM 0 HD21 LEU A 116 -1.486 14.660 -1.199 1.00 0.00 H new ATOM 0 HD22 LEU A 116 -2.326 15.436 -2.562 1.00 0.00 H new ATOM 0 HD23 LEU A 116 -2.574 13.705 -2.235 1.00 0.00 H new ATOM 1816 N PRO A 117 -3.379 13.106 -6.732 1.00 0.00 N ATOM 1817 CA PRO A 117 -3.682 12.715 -8.140 1.00 0.00 C ATOM 1818 C PRO A 117 -2.528 13.033 -9.086 1.00 0.00 C ATOM 1819 O PRO A 117 -1.858 14.055 -8.942 1.00 0.00 O ATOM 1820 CB PRO A 117 -4.922 13.542 -8.495 1.00 0.00 C ATOM 1821 CG PRO A 117 -4.854 14.757 -7.630 1.00 0.00 C ATOM 1822 CD PRO A 117 -4.146 14.339 -6.343 1.00 0.00 C ATOM 0 HA PRO A 117 -3.842 11.641 -8.238 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -4.924 13.812 -9.551 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -5.836 12.978 -8.308 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -4.309 15.558 -8.129 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -5.853 15.137 -7.416 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -3.482 15.124 -5.980 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -4.859 14.130 -5.545 1.00 0.00 H new ATOM 1830 N LEU A 118 -2.302 12.151 -10.055 1.00 0.00 N ATOM 1831 CA LEU A 118 -1.225 12.351 -11.019 1.00 0.00 C ATOM 1832 C LEU A 118 -1.496 13.586 -11.871 1.00 0.00 C ATOM 1833 O LEU A 118 -2.402 13.590 -12.705 1.00 0.00 O ATOM 1834 CB LEU A 118 -1.096 11.124 -11.923 1.00 0.00 C ATOM 1835 CG LEU A 118 -0.767 9.894 -11.076 1.00 0.00 C ATOM 1836 CD1 LEU A 118 -1.181 8.630 -11.831 1.00 0.00 C ATOM 1837 CD2 LEU A 118 0.737 9.852 -10.801 1.00 0.00 C ATOM 0 H LEU A 118 -2.845 11.298 -10.193 1.00 0.00 H new ATOM 0 HA LEU A 118 -0.294 12.496 -10.471 1.00 0.00 H new ATOM 0 HB2 LEU A 118 -2.025 10.963 -12.470 1.00 0.00 H new ATOM 0 HB3 LEU A 118 -0.314 11.287 -12.665 1.00 0.00 H new ATOM 0 HG LEU A 118 -1.308 9.948 -10.132 1.00 0.00 H new ATOM 0 HD11 LEU A 118 -0.947 7.753 -11.228 1.00 0.00 H new ATOM 0 HD12 LEU A 118 -2.253 8.659 -12.029 1.00 0.00 H new ATOM 0 HD13 LEU A 118 -0.639 8.576 -12.775 1.00 0.00 H new ATOM 0 HD21 LEU A 118 0.972 8.975 -10.197 1.00 0.00 H new ATOM 0 HD22 LEU A 118 1.278 9.798 -11.746 1.00 0.00 H new ATOM 0 HD23 LEU A 118 1.034 10.753 -10.264 1.00 0.00 H new ATOM 1849 N SER A 119 -0.705 14.631 -11.656 1.00 0.00 N ATOM 1850 CA SER A 119 -0.869 15.868 -12.411 1.00 0.00 C ATOM 1851 C SER A 119 -0.208 15.751 -13.781 1.00 0.00 C ATOM 1852 O SER A 119 0.290 14.688 -14.152 1.00 0.00 O ATOM 1853 CB SER A 119 -0.248 17.034 -11.642 1.00 0.00 C ATOM 1854 OG SER A 119 -0.958 17.224 -10.424 1.00 0.00 O ATOM 0 H SER A 119 0.050 14.647 -10.971 1.00 0.00 H new ATOM 0 HA SER A 119 -1.935 16.049 -12.548 1.00 0.00 H new ATOM 0 HB2 SER A 119 0.803 16.830 -11.436 1.00 0.00 H new ATOM 0 HB3 SER A 119 -0.285 17.942 -12.243 1.00 0.00 H new ATOM 0 HG SER A 119 -0.562 17.970 -9.927 1.00 0.00 H new ATOM 1860 N GLU A 120 -0.207 16.850 -14.527 1.00 0.00 N ATOM 1861 CA GLU A 120 0.395 16.858 -15.855 1.00 0.00 C ATOM 1862 C GLU A 120 1.873 16.494 -15.771 1.00 0.00 C ATOM 1863 O GLU A 120 2.449 15.973 -16.727 1.00 0.00 O ATOM 1864 CB GLU A 120 0.243 18.241 -16.490 1.00 0.00 C ATOM 1865 CG GLU A 120 1.042 19.266 -15.684 1.00 0.00 C ATOM 1866 CD GLU A 120 0.737 20.674 -16.183 1.00 0.00 C ATOM 1867 OE1 GLU A 120 0.029 20.791 -17.171 1.00 0.00 O ATOM 1868 OE2 GLU A 120 1.215 21.615 -15.572 1.00 0.00 O ATOM 0 H GLU A 120 -0.613 17.740 -14.238 1.00 0.00 H new ATOM 0 HA GLU A 120 -0.117 16.119 -16.471 1.00 0.00 H new ATOM 0 HB2 GLU A 120 0.595 18.220 -17.521 1.00 0.00 H new ATOM 0 HB3 GLU A 120 -0.809 18.526 -16.518 1.00 0.00 H new ATOM 0 HG2 GLU A 120 0.792 19.184 -14.626 1.00 0.00 H new ATOM 0 HG3 GLU A 120 2.109 19.062 -15.776 1.00 0.00 H new ATOM 1875 N GLU A 121 2.480 16.769 -14.621 1.00 0.00 N ATOM 1876 CA GLU A 121 3.892 16.466 -14.423 1.00 0.00 C ATOM 1877 C GLU A 121 4.151 14.976 -14.623 1.00 0.00 C ATOM 1878 O GLU A 121 5.165 14.585 -15.200 1.00 0.00 O ATOM 1879 CB GLU A 121 4.323 16.877 -13.014 1.00 0.00 C ATOM 1880 CG GLU A 121 4.198 18.394 -12.863 1.00 0.00 C ATOM 1881 CD GLU A 121 4.695 18.824 -11.487 1.00 0.00 C ATOM 1882 OE1 GLU A 121 4.978 17.952 -10.683 1.00 0.00 O ATOM 1883 OE2 GLU A 121 4.785 20.019 -11.259 1.00 0.00 O ATOM 0 H GLU A 121 2.020 17.198 -13.818 1.00 0.00 H new ATOM 0 HA GLU A 121 4.472 17.027 -15.156 1.00 0.00 H new ATOM 0 HB2 GLU A 121 3.703 16.375 -12.272 1.00 0.00 H new ATOM 0 HB3 GLU A 121 5.352 16.567 -12.832 1.00 0.00 H new ATOM 0 HG2 GLU A 121 4.776 18.894 -13.640 1.00 0.00 H new ATOM 0 HG3 GLU A 121 3.159 18.696 -12.994 1.00 0.00 H new ATOM 1890 N TYR A 122 3.226 14.150 -14.144 1.00 0.00 N ATOM 1891 CA TYR A 122 3.363 12.705 -14.282 1.00 0.00 C ATOM 1892 C TYR A 122 3.298 12.303 -15.752 1.00 0.00 C ATOM 1893 O TYR A 122 4.050 11.439 -16.203 1.00 0.00 O ATOM 1894 CB TYR A 122 2.252 11.996 -13.507 1.00 0.00 C ATOM 1895 CG TYR A 122 2.134 10.570 -13.989 1.00 0.00 C ATOM 1896 CD1 TYR A 122 3.144 9.647 -13.697 1.00 0.00 C ATOM 1897 CD2 TYR A 122 1.022 10.176 -14.743 1.00 0.00 C ATOM 1898 CE1 TYR A 122 3.046 8.331 -14.164 1.00 0.00 C ATOM 1899 CE2 TYR A 122 0.921 8.859 -15.206 1.00 0.00 C ATOM 1900 CZ TYR A 122 1.935 7.937 -14.918 1.00 0.00 C ATOM 1901 OH TYR A 122 1.837 6.639 -15.377 1.00 0.00 O ATOM 0 H TYR A 122 2.380 14.453 -13.661 1.00 0.00 H new ATOM 0 HA TYR A 122 4.330 12.409 -13.876 1.00 0.00 H new ATOM 0 HB2 TYR A 122 2.470 12.013 -12.439 1.00 0.00 H new ATOM 0 HB3 TYR A 122 1.306 12.518 -13.647 1.00 0.00 H new ATOM 0 HD1 TYR A 122 3.999 9.950 -13.111 1.00 0.00 H new ATOM 0 HD2 TYR A 122 0.242 10.888 -14.967 1.00 0.00 H new ATOM 0 HE1 TYR A 122 3.828 7.620 -13.942 1.00 0.00 H new ATOM 0 HE2 TYR A 122 0.062 8.554 -15.785 1.00 0.00 H new ATOM 0 HH TYR A 122 0.918 6.463 -15.668 1.00 0.00 H new ATOM 1911 N ARG A 123 2.396 12.937 -16.493 1.00 0.00 N ATOM 1912 CA ARG A 123 2.236 12.632 -17.910 1.00 0.00 C ATOM 1913 C ARG A 123 3.551 12.844 -18.652 1.00 0.00 C ATOM 1914 O ARG A 123 3.909 12.066 -19.536 1.00 0.00 O ATOM 1915 CB ARG A 123 1.155 13.529 -18.519 1.00 0.00 C ATOM 1916 CG ARG A 123 -0.180 13.266 -17.820 1.00 0.00 C ATOM 1917 CD ARG A 123 -1.297 14.001 -18.561 1.00 0.00 C ATOM 1918 NE ARG A 123 -0.990 15.423 -18.654 1.00 0.00 N ATOM 1919 CZ ARG A 123 -1.862 16.283 -19.173 1.00 0.00 C ATOM 1920 NH1 ARG A 123 -3.018 15.858 -19.604 1.00 0.00 N ATOM 1921 NH2 ARG A 123 -1.562 17.550 -19.249 1.00 0.00 N ATOM 0 H ARG A 123 1.769 13.660 -16.140 1.00 0.00 H new ATOM 0 HA ARG A 123 1.939 11.588 -18.008 1.00 0.00 H new ATOM 0 HB2 ARG A 123 1.434 14.577 -18.411 1.00 0.00 H new ATOM 0 HB3 ARG A 123 1.063 13.332 -19.587 1.00 0.00 H new ATOM 0 HG2 ARG A 123 -0.387 12.196 -17.798 1.00 0.00 H new ATOM 0 HG3 ARG A 123 -0.133 13.603 -16.784 1.00 0.00 H new ATOM 0 HD2 ARG A 123 -1.418 13.582 -19.560 1.00 0.00 H new ATOM 0 HD3 ARG A 123 -2.244 13.859 -18.039 1.00 0.00 H new ATOM 0 HE ARG A 123 -0.091 15.765 -18.315 1.00 0.00 H new ATOM 0 HH11 ARG A 123 -3.252 14.867 -19.543 1.00 0.00 H new ATOM 0 HH12 ARG A 123 -3.687 16.517 -20.002 1.00 0.00 H new ATOM 0 HH21 ARG A 123 -0.659 17.881 -18.910 1.00 0.00 H new ATOM 0 HH22 ARG A 123 -2.231 18.209 -19.647 1.00 0.00 H new ATOM 1935 N GLN A 124 4.267 13.903 -18.286 1.00 0.00 N ATOM 1936 CA GLN A 124 5.546 14.205 -18.918 1.00 0.00 C ATOM 1937 C GLN A 124 6.600 13.181 -18.511 1.00 0.00 C ATOM 1938 O GLN A 124 7.448 12.797 -19.315 1.00 0.00 O ATOM 1939 CB GLN A 124 6.008 15.606 -18.515 1.00 0.00 C ATOM 1940 CG GLN A 124 7.105 16.075 -19.472 1.00 0.00 C ATOM 1941 CD GLN A 124 8.382 15.278 -19.231 1.00 0.00 C ATOM 1942 OE1 GLN A 124 8.715 14.967 -18.088 1.00 0.00 O ATOM 1943 NE2 GLN A 124 9.123 14.928 -20.247 1.00 0.00 N ATOM 0 H GLN A 124 3.985 14.562 -17.560 1.00 0.00 H new ATOM 0 HA GLN A 124 5.416 14.163 -19.999 1.00 0.00 H new ATOM 0 HB2 GLN A 124 5.167 16.299 -18.540 1.00 0.00 H new ATOM 0 HB3 GLN A 124 6.383 15.597 -17.491 1.00 0.00 H new ATOM 0 HG2 GLN A 124 6.777 15.949 -20.504 1.00 0.00 H new ATOM 0 HG3 GLN A 124 7.297 17.138 -19.326 1.00 0.00 H new ATOM 0 HE21 GLN A 124 8.845 15.187 -21.194 1.00 0.00 H new ATOM 0 HE22 GLN A 124 9.980 14.396 -20.094 1.00 0.00 H new ATOM 1952 N HIS A 125 6.539 12.744 -17.257 1.00 0.00 N ATOM 1953 CA HIS A 125 7.495 11.767 -16.753 1.00 0.00 C ATOM 1954 C HIS A 125 7.454 10.496 -17.595 1.00 0.00 C ATOM 1955 O HIS A 125 8.432 9.751 -17.662 1.00 0.00 O ATOM 1956 CB HIS A 125 7.174 11.426 -15.297 1.00 0.00 C ATOM 1957 CG HIS A 125 7.785 10.097 -14.946 1.00 0.00 C ATOM 1958 ND1 HIS A 125 9.113 9.971 -14.572 1.00 0.00 N ATOM 1959 CD2 HIS A 125 7.261 8.830 -14.902 1.00 0.00 C ATOM 1960 CE1 HIS A 125 9.342 8.669 -14.320 1.00 0.00 C ATOM 1961 NE2 HIS A 125 8.245 7.929 -14.505 1.00 0.00 N ATOM 0 H HIS A 125 5.843 13.049 -16.577 1.00 0.00 H new ATOM 0 HA HIS A 125 8.494 12.199 -16.813 1.00 0.00 H new ATOM 0 HB2 HIS A 125 7.561 12.202 -14.637 1.00 0.00 H new ATOM 0 HB3 HIS A 125 6.095 11.392 -15.150 1.00 0.00 H new ATOM 0 HD1 HIS A 125 9.793 10.727 -14.501 1.00 0.00 H new ATOM 0 HD2 HIS A 125 6.240 8.571 -15.139 1.00 0.00 H new ATOM 0 HE1 HIS A 125 10.296 8.271 -14.007 1.00 0.00 H new ATOM 1970 N GLN A 126 6.316 10.255 -18.237 1.00 0.00 N ATOM 1971 CA GLN A 126 6.156 9.071 -19.072 1.00 0.00 C ATOM 1972 C GLN A 126 7.066 9.152 -20.294 1.00 0.00 C ATOM 1973 O GLN A 126 7.405 8.134 -20.896 1.00 0.00 O ATOM 1974 CB GLN A 126 4.700 8.944 -19.525 1.00 0.00 C ATOM 1975 CG GLN A 126 3.798 8.770 -18.301 1.00 0.00 C ATOM 1976 CD GLN A 126 2.340 8.677 -18.737 1.00 0.00 C ATOM 1977 OE1 GLN A 126 1.984 9.142 -19.820 1.00 0.00 O ATOM 1978 NE2 GLN A 126 1.469 8.099 -17.955 1.00 0.00 N ATOM 0 H GLN A 126 5.496 10.860 -18.196 1.00 0.00 H new ATOM 0 HA GLN A 126 6.431 8.195 -18.485 1.00 0.00 H new ATOM 0 HB2 GLN A 126 4.404 9.831 -20.085 1.00 0.00 H new ATOM 0 HB3 GLN A 126 4.590 8.092 -20.195 1.00 0.00 H new ATOM 0 HG2 GLN A 126 4.081 7.870 -17.755 1.00 0.00 H new ATOM 0 HG3 GLN A 126 3.930 9.611 -17.620 1.00 0.00 H new ATOM 0 HE21 GLN A 126 1.765 7.714 -17.058 1.00 0.00 H new ATOM 0 HE22 GLN A 126 0.492 8.032 -18.241 1.00 0.00 H new ATOM 1987 N ALA A 127 7.459 10.370 -20.653 1.00 0.00 N ATOM 1988 CA ALA A 127 8.310 10.574 -21.821 1.00 0.00 C ATOM 1989 C ALA A 127 9.781 10.554 -21.419 1.00 0.00 C ATOM 1990 O ALA A 127 10.553 9.721 -21.894 1.00 0.00 O ATOM 1991 CB ALA A 127 7.976 11.912 -22.482 1.00 0.00 C ATOM 0 H ALA A 127 7.205 11.224 -20.157 1.00 0.00 H new ATOM 0 HA ALA A 127 8.127 9.765 -22.529 1.00 0.00 H new ATOM 0 HB1 ALA A 127 8.615 12.057 -23.353 1.00 0.00 H new ATOM 0 HB2 ALA A 127 6.932 11.913 -22.794 1.00 0.00 H new ATOM 0 HB3 ALA A 127 8.143 12.721 -21.771 1.00 0.00 H new ATOM 1997 N GLU A 128 10.161 11.475 -20.540 1.00 0.00 N ATOM 1998 CA GLU A 128 11.550 11.578 -20.107 1.00 0.00 C ATOM 1999 C GLU A 128 12.121 10.195 -19.810 1.00 0.00 C ATOM 2000 O GLU A 128 13.257 9.890 -20.175 1.00 0.00 O ATOM 2001 CB GLU A 128 11.643 12.451 -18.854 1.00 0.00 C ATOM 2002 CG GLU A 128 11.203 11.641 -17.633 1.00 0.00 C ATOM 2003 CD GLU A 128 11.013 12.564 -16.435 1.00 0.00 C ATOM 2004 OE1 GLU A 128 11.251 13.751 -16.583 1.00 0.00 O ATOM 2005 OE2 GLU A 128 10.632 12.071 -15.385 1.00 0.00 O ATOM 0 H GLU A 128 9.532 12.157 -20.116 1.00 0.00 H new ATOM 0 HA GLU A 128 12.129 12.034 -20.910 1.00 0.00 H new ATOM 0 HB2 GLU A 128 12.665 12.805 -18.720 1.00 0.00 H new ATOM 0 HB3 GLU A 128 11.012 13.333 -18.965 1.00 0.00 H new ATOM 0 HG2 GLU A 128 10.272 11.117 -17.850 1.00 0.00 H new ATOM 0 HG3 GLU A 128 11.950 10.881 -17.402 1.00 0.00 H new ATOM 2012 N LYS A 129 11.326 9.363 -19.145 1.00 0.00 N ATOM 2013 CA LYS A 129 11.767 8.017 -18.796 1.00 0.00 C ATOM 2014 C LYS A 129 11.827 7.134 -20.038 1.00 0.00 C ATOM 2015 O LYS A 129 12.546 6.135 -20.068 1.00 0.00 O ATOM 2016 CB LYS A 129 10.807 7.402 -17.776 1.00 0.00 C ATOM 2017 CG LYS A 129 9.506 7.003 -18.474 1.00 0.00 C ATOM 2018 CD LYS A 129 8.468 6.596 -17.426 1.00 0.00 C ATOM 2019 CE LYS A 129 7.372 5.760 -18.090 1.00 0.00 C ATOM 2020 NZ LYS A 129 6.107 5.894 -17.314 1.00 0.00 N ATOM 0 H LYS A 129 10.381 9.594 -18.839 1.00 0.00 H new ATOM 0 HA LYS A 129 12.765 8.082 -18.362 1.00 0.00 H new ATOM 0 HB2 LYS A 129 11.265 6.529 -17.311 1.00 0.00 H new ATOM 0 HB3 LYS A 129 10.600 8.116 -16.979 1.00 0.00 H new ATOM 0 HG2 LYS A 129 9.130 7.835 -19.069 1.00 0.00 H new ATOM 0 HG3 LYS A 129 9.688 6.176 -19.161 1.00 0.00 H new ATOM 0 HD2 LYS A 129 8.945 6.024 -16.630 1.00 0.00 H new ATOM 0 HD3 LYS A 129 8.034 7.483 -16.965 1.00 0.00 H new ATOM 0 HE2 LYS A 129 7.218 6.092 -19.117 1.00 0.00 H new ATOM 0 HE3 LYS A 129 7.675 4.714 -18.135 1.00 0.00 H new ATOM 0 HZ1 LYS A 129 5.300 5.928 -17.969 1.00 0.00 H new ATOM 0 HZ2 LYS A 129 6.002 5.078 -16.677 1.00 0.00 H new ATOM 0 HZ3 LYS A 129 6.135 6.770 -16.753 1.00 0.00 H new ATOM 2034 N ASP A 130 11.067 7.510 -21.062 1.00 0.00 N ATOM 2035 CA ASP A 130 11.042 6.743 -22.302 1.00 0.00 C ATOM 2036 C ASP A 130 12.213 7.132 -23.198 1.00 0.00 C ATOM 2037 O ASP A 130 12.340 8.288 -23.602 1.00 0.00 O ATOM 2038 CB ASP A 130 9.726 6.992 -23.042 1.00 0.00 C ATOM 2039 CG ASP A 130 9.647 6.104 -24.279 1.00 0.00 C ATOM 2040 OD1 ASP A 130 10.542 5.294 -24.462 1.00 0.00 O ATOM 2041 OD2 ASP A 130 8.695 6.247 -25.029 1.00 0.00 O ATOM 0 H ASP A 130 10.465 8.334 -21.058 1.00 0.00 H new ATOM 0 HA ASP A 130 11.126 5.685 -22.054 1.00 0.00 H new ATOM 0 HB2 ASP A 130 8.883 6.786 -22.382 1.00 0.00 H new ATOM 0 HB3 ASP A 130 9.655 8.040 -23.332 1.00 0.00 H new ATOM 2046 N LYS A 131 13.065 6.160 -23.506 1.00 0.00 N ATOM 2047 CA LYS A 131 14.222 6.414 -24.356 1.00 0.00 C ATOM 2048 C LYS A 131 15.094 7.514 -23.760 1.00 0.00 C ATOM 2049 O LYS A 131 16.041 7.181 -23.065 1.00 0.00 O ATOM 2050 CB LYS A 131 13.762 6.826 -25.755 1.00 0.00 C ATOM 2051 CG LYS A 131 14.954 6.796 -26.715 1.00 0.00 C ATOM 2052 CD LYS A 131 15.140 5.376 -27.253 1.00 0.00 C ATOM 2053 CE LYS A 131 16.255 5.369 -28.300 1.00 0.00 C ATOM 2054 NZ LYS A 131 16.251 4.066 -29.022 1.00 0.00 N ATOM 2055 OXT LYS A 131 14.804 8.673 -24.008 1.00 0.00 O ATOM 0 H LYS A 131 12.978 5.197 -23.183 1.00 0.00 H new ATOM 0 HA LYS A 131 14.808 5.498 -24.422 1.00 0.00 H new ATOM 0 HB2 LYS A 131 12.982 6.151 -26.106 1.00 0.00 H new ATOM 0 HB3 LYS A 131 13.329 7.826 -25.727 1.00 0.00 H new ATOM 0 HG2 LYS A 131 14.788 7.490 -27.539 1.00 0.00 H new ATOM 0 HG3 LYS A 131 15.858 7.123 -26.200 1.00 0.00 H new ATOM 0 HD2 LYS A 131 15.388 4.696 -26.438 1.00 0.00 H new ATOM 0 HD3 LYS A 131 14.210 5.018 -27.694 1.00 0.00 H new ATOM 0 HE2 LYS A 131 16.111 6.188 -29.005 1.00 0.00 H new ATOM 0 HE3 LYS A 131 17.220 5.528 -27.820 1.00 0.00 H new ATOM 0 HZ1 LYS A 131 17.009 4.061 -29.734 1.00 0.00 H new ATOM 0 HZ2 LYS A 131 16.408 3.293 -28.344 1.00 0.00 H new ATOM 0 HZ3 LYS A 131 15.333 3.933 -29.493 1.00 0.00 H new TER 2069 LYS A 131