USER MOD reduce.3.24.130724 H: found=0, std=0, add=1048, rem=0, adj=36 USER MOD reduce.3.24.130724 removed 1038 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 85 SER OG : rot -33:sc= -1.24 USER MOD Set 1.2: A 87 ASN : amide:sc= -2.64 K(o=-3.9,f=-14!) USER MOD Set 2.1: A 63 SER OG : rot -41:sc= 1.23 USER MOD Set 2.2: A 66 ASN : amide:sc= 1.33 K(o=2.6,f=-4.1!) USER MOD Set 3.1: A -1 HIS :FLIP no HD1:sc= -0.028 F(o=-1.2,f=-0.054) USER MOD Set 3.2: A -3 HIS :FLIP no HD1:sc= -0.0264 F(o=-2.9,f=-0.054) USER MOD Single : A 0 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A -2 HIS : no HD1:sc= 0 X(o=0,f=-0.078) USER MOD Single : A -4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A -5 HIS : no HD1:sc= -0.0226 X(o=-0.023,f=-0.055) USER MOD Single : A -5 HIS N :NH3+ -114:sc= 0.0158 (180deg=-0.0172) USER MOD Single : A 11 MET CE :methyl -160:sc= -0.182 (180deg=-1.32) USER MOD Single : A 12 LYS NZ :NH3+ 172:sc= 0 (180deg=-0.0235) USER MOD Single : A 14 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 22 GLN : amide:sc= -0.082 X(o=-0.082,f=-0.096) USER MOD Single : A 23 HIS : no HD1:sc= -1.09 X(o=-1.1,f=-1.5) USER MOD Single : A 24 MET CE :methyl 152:sc= -0.212 (180deg=-1.02) USER MOD Single : A 26 SER OG : rot 180:sc= 0.03 USER MOD Single : A 31 THR OG1 : rot 180:sc= -0.155 USER MOD Single : A 36 LYS NZ :NH3+ 142:sc= -0.269 (180deg=-1.09) USER MOD Single : A 37 THR OG1 : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 54 SER OG : rot 26:sc= 0.0579 USER MOD Single : A 56 THR OG1 : rot -19:sc= -0.257 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 ASN : amide:sc= -0.561 X(o=-0.56,f=-0.43) USER MOD Single : A 59 LYS NZ :NH3+ 142:sc= -0.464 (180deg=-1.65!) USER MOD Single : A 60 GLN : amide:sc= -0.731 K(o=-0.73,f=-3.2!) USER MOD Single : A 69 TYR OH : rot 173:sc= -1.48! USER MOD Single : A 74 THR OG1 : rot -75:sc= 0.154 USER MOD Single : A 77 HIS : no HD1:sc= -1.99 K(o=-2,f=-4!) USER MOD Single : A 79 THR OG1 : rot 180:sc= 0 USER MOD Single : A 96 THR OG1 : rot 180:sc= 0 USER MOD Single : A 97 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 TYR OH : rot 164:sc= 0.0229 USER MOD Single : A 101 ASN : amide:sc= -2.08 K(o=-2.1,f=-6.7!) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 HIS : no HD1:sc= 0 X(o=0,f=-0.0077) USER MOD Single : A 113 THR OG1 : rot 180:sc= -0.195 USER MOD Single : A 118 LYS NZ :NH3+ -110:sc= -1.13 (180deg=-3.52!) USER MOD Single : A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 124 TYR OH : rot 180:sc= 0 USER MOD Single : A 126 SER OG : rot 180:sc= 0 USER MOD Single : A 132 SER OG : rot 77:sc= 0.221 USER MOD Single : A 133 THR OG1 : rot 180:sc= 0 USER MOD Single : A 134 THR OG1 : rot 82:sc= -0.423 USER MOD Single : A 136 ASN : amide:sc=-0.00494 K(o=-0.0049,f=-1.4!) USER MOD Single : A 140 LYS NZ :NH3+ -124:sc= -0.129 (180deg=-2.14!) USER MOD ----------------------------------------------------------------- ATOM 1 N HIS A -5 70.873 1.910 -24.681 1.00 0.00 N ATOM 2 CA HIS A -5 72.162 1.647 -23.981 1.00 0.00 C ATOM 3 C HIS A -5 72.861 0.460 -24.636 1.00 0.00 C ATOM 4 O HIS A -5 72.225 -0.538 -24.974 1.00 0.00 O ATOM 5 CB HIS A -5 71.884 1.341 -22.508 1.00 0.00 C ATOM 6 CG HIS A -5 71.279 2.497 -21.760 1.00 0.00 C ATOM 7 ND1 HIS A -5 69.908 2.665 -21.642 1.00 0.00 N ATOM 8 CD2 HIS A -5 71.845 3.553 -21.086 1.00 0.00 C ATOM 9 CE1 HIS A -5 69.696 3.782 -20.923 1.00 0.00 C ATOM 10 NE2 HIS A -5 70.841 4.363 -20.559 1.00 0.00 N ATOM 0 H1 HIS A -5 70.919 2.832 -25.159 1.00 0.00 H new ATOM 0 H2 HIS A -5 70.702 1.164 -25.385 1.00 0.00 H new ATOM 0 H3 HIS A -5 70.097 1.918 -23.988 1.00 0.00 H new ATOM 0 HA HIS A -5 72.806 2.524 -24.051 1.00 0.00 H new ATOM 0 HB2 HIS A -5 71.212 0.485 -22.443 1.00 0.00 H new ATOM 0 HB3 HIS A -5 72.816 1.052 -22.023 1.00 0.00 H new ATOM 0 HD2 HIS A -5 72.906 3.728 -20.981 1.00 0.00 H new ATOM 0 HE1 HIS A -5 68.717 4.163 -20.671 1.00 0.00 H new ATOM 0 HE2 HIS A -5 70.956 5.216 -20.013 1.00 0.00 H new ATOM 20 N HIS A -4 74.174 0.577 -24.812 1.00 0.00 N ATOM 21 CA HIS A -4 74.961 -0.489 -25.427 1.00 0.00 C ATOM 22 C HIS A -4 76.095 -0.917 -24.502 1.00 0.00 C ATOM 23 O HIS A -4 76.805 -0.079 -23.945 1.00 0.00 O ATOM 24 CB HIS A -4 75.544 -0.004 -26.756 1.00 0.00 C ATOM 25 CG HIS A -4 76.305 -1.068 -27.499 1.00 0.00 C ATOM 26 ND1 HIS A -4 75.686 -2.192 -28.021 1.00 0.00 N ATOM 27 CD2 HIS A -4 77.636 -1.191 -27.817 1.00 0.00 C ATOM 28 CE1 HIS A -4 76.633 -2.936 -28.618 1.00 0.00 C ATOM 29 NE2 HIS A -4 77.841 -2.373 -28.523 1.00 0.00 N ATOM 0 H HIS A -4 74.715 1.397 -24.538 1.00 0.00 H new ATOM 0 HA HIS A -4 74.308 -1.343 -25.604 1.00 0.00 H new ATOM 0 HB2 HIS A -4 74.734 0.361 -27.388 1.00 0.00 H new ATOM 0 HB3 HIS A -4 76.206 0.841 -26.567 1.00 0.00 H new ATOM 0 HD2 HIS A -4 78.406 -0.479 -27.559 1.00 0.00 H new ATOM 0 HE1 HIS A -4 76.441 -3.876 -29.115 1.00 0.00 H new ATOM 0 HE2 HIS A -4 78.723 -2.732 -28.889 1.00 0.00 H new ATOM 37 N HIS A -3 76.261 -2.227 -24.342 1.00 0.00 N ATOM 38 CA HIS A -3 77.310 -2.765 -23.480 1.00 0.00 C ATOM 39 C HIS A -3 78.143 -3.797 -24.236 1.00 0.00 C ATOM 40 O HIS A -3 77.612 -4.578 -25.026 1.00 0.00 O ATOM 41 CB HIS A -3 76.685 -3.416 -22.246 1.00 0.00 C ATOM 42 CG HIS A -3 77.701 -3.895 -21.244 1.00 0.00 C ATOM 43 ND1 HIS A -3 78.035 -5.153 -20.806 1.00 0.00 N flip ATOM 44 CD2 HIS A -3 78.526 -3.023 -20.553 1.00 0.00 C flip ATOM 45 CE1 HIS A -3 79.052 -5.065 -19.859 1.00 0.00 C flip ATOM 46 NE2 HIS A -3 79.308 -3.759 -19.744 1.00 0.00 N flip ATOM 0 H HIS A -3 75.684 -2.935 -24.797 1.00 0.00 H new ATOM 0 HA HIS A -3 77.959 -1.946 -23.169 1.00 0.00 H new ATOM 0 HB2 HIS A -3 76.020 -2.700 -21.764 1.00 0.00 H new ATOM 0 HB3 HIS A -3 76.071 -4.259 -22.561 1.00 0.00 H new ATOM 0 HD2 HIS A -3 78.539 -1.947 -20.647 1.00 0.00 H new ATOM 0 HE1 HIS A -3 79.530 -5.877 -19.332 1.00 0.00 H new ATOM 0 HE2 HIS A -3 80.012 -3.367 -19.118 1.00 0.00 H new ATOM 54 N HIS A -2 79.450 -3.794 -23.987 1.00 0.00 N ATOM 55 CA HIS A -2 80.358 -4.722 -24.656 1.00 0.00 C ATOM 56 C HIS A -2 81.129 -5.549 -23.630 1.00 0.00 C ATOM 57 O HIS A -2 81.546 -5.036 -22.592 1.00 0.00 O ATOM 58 CB HIS A -2 81.344 -3.945 -25.529 1.00 0.00 C ATOM 59 CG HIS A -2 82.305 -4.827 -26.278 1.00 0.00 C ATOM 60 ND1 HIS A -2 83.566 -5.130 -25.788 1.00 0.00 N ATOM 61 CD2 HIS A -2 82.205 -5.480 -27.482 1.00 0.00 C ATOM 62 CE1 HIS A -2 84.169 -5.930 -26.684 1.00 0.00 C ATOM 63 NE2 HIS A -2 83.384 -6.176 -27.736 1.00 0.00 N ATOM 0 H HIS A -2 79.903 -3.161 -23.328 1.00 0.00 H new ATOM 0 HA HIS A -2 79.769 -5.394 -25.280 1.00 0.00 H new ATOM 0 HB2 HIS A -2 80.786 -3.340 -26.243 1.00 0.00 H new ATOM 0 HB3 HIS A -2 81.909 -3.256 -24.901 1.00 0.00 H new ATOM 0 HD2 HIS A -2 81.343 -5.457 -28.133 1.00 0.00 H new ATOM 0 HE1 HIS A -2 85.167 -6.326 -26.567 1.00 0.00 H new ATOM 0 HE2 HIS A -2 83.601 -6.750 -28.550 1.00 0.00 H new ATOM 71 N HIS A -1 81.315 -6.831 -23.931 1.00 0.00 N ATOM 72 CA HIS A -1 82.041 -7.729 -23.037 1.00 0.00 C ATOM 73 C HIS A -1 83.371 -8.141 -23.657 1.00 0.00 C ATOM 74 O HIS A -1 83.449 -8.424 -24.852 1.00 0.00 O ATOM 75 CB HIS A -1 81.202 -8.978 -22.760 1.00 0.00 C ATOM 76 CG HIS A -1 79.922 -8.692 -22.023 1.00 0.00 C ATOM 77 ND1 HIS A -1 78.613 -8.652 -22.437 1.00 0.00 N flip ATOM 78 CD2 HIS A -1 79.899 -8.403 -20.668 1.00 0.00 C flip ATOM 79 CE1 HIS A -1 77.790 -8.342 -21.358 1.00 0.00 C flip ATOM 80 NE2 HIS A -1 78.615 -8.203 -20.318 1.00 0.00 N flip ATOM 0 H HIS A -1 80.974 -7.271 -24.786 1.00 0.00 H new ATOM 0 HA HIS A -1 82.234 -7.203 -22.102 1.00 0.00 H new ATOM 0 HB2 HIS A -1 80.966 -9.464 -23.707 1.00 0.00 H new ATOM 0 HB3 HIS A -1 81.796 -9.683 -22.179 1.00 0.00 H new ATOM 0 HD2 HIS A -1 80.755 -8.348 -20.012 1.00 0.00 H new ATOM 0 HE1 HIS A -1 76.715 -8.237 -21.362 1.00 0.00 H new ATOM 0 HE2 HIS A -1 78.309 -7.973 -19.372 1.00 0.00 H new ATOM 88 N HIS A 0 84.416 -8.176 -22.835 1.00 0.00 N ATOM 89 CA HIS A 0 85.744 -8.566 -23.300 1.00 0.00 C ATOM 90 C HIS A 0 86.275 -9.732 -22.473 1.00 0.00 C ATOM 91 O HIS A 0 86.217 -9.710 -21.243 1.00 0.00 O ATOM 92 CB HIS A 0 86.704 -7.380 -23.187 1.00 0.00 C ATOM 93 CG HIS A 0 88.081 -7.672 -23.720 1.00 0.00 C ATOM 94 ND1 HIS A 0 88.317 -7.918 -25.062 1.00 0.00 N ATOM 95 CD2 HIS A 0 89.305 -7.761 -23.101 1.00 0.00 C ATOM 96 CE1 HIS A 0 89.635 -8.139 -25.209 1.00 0.00 C ATOM 97 NE2 HIS A 0 90.285 -8.056 -24.045 1.00 0.00 N ATOM 0 H HIS A 0 84.369 -7.939 -21.844 1.00 0.00 H new ATOM 0 HA HIS A 0 85.670 -8.876 -24.342 1.00 0.00 H new ATOM 0 HB2 HIS A 0 86.286 -6.531 -23.728 1.00 0.00 H new ATOM 0 HB3 HIS A 0 86.783 -7.084 -22.141 1.00 0.00 H new ATOM 0 HD2 HIS A 0 89.480 -7.623 -22.044 1.00 0.00 H new ATOM 0 HE1 HIS A 0 90.111 -8.357 -26.154 1.00 0.00 H new ATOM 0 HE2 HIS A 0 91.284 -8.182 -23.883 1.00 0.00 H new ATOM 105 N SER A 1 86.794 -10.750 -23.155 1.00 0.00 N ATOM 106 CA SER A 1 87.330 -11.930 -22.480 1.00 0.00 C ATOM 107 C SER A 1 88.804 -12.118 -22.823 1.00 0.00 C ATOM 108 O SER A 1 89.224 -11.874 -23.954 1.00 0.00 O ATOM 109 CB SER A 1 86.545 -13.171 -22.906 1.00 0.00 C ATOM 110 OG SER A 1 86.999 -14.290 -22.156 1.00 0.00 O ATOM 0 H SER A 1 86.855 -10.782 -24.173 1.00 0.00 H new ATOM 0 HA SER A 1 87.234 -11.788 -21.404 1.00 0.00 H new ATOM 0 HB2 SER A 1 85.479 -13.016 -22.742 1.00 0.00 H new ATOM 0 HB3 SER A 1 86.680 -13.353 -23.972 1.00 0.00 H new ATOM 0 HG SER A 1 86.498 -15.088 -22.424 1.00 0.00 H new ATOM 116 N SER A 2 89.584 -12.555 -21.838 1.00 0.00 N ATOM 117 CA SER A 2 91.013 -12.785 -22.038 1.00 0.00 C ATOM 118 C SER A 2 91.363 -14.242 -21.756 1.00 0.00 C ATOM 119 O SER A 2 90.830 -14.850 -20.827 1.00 0.00 O ATOM 120 CB SER A 2 91.819 -11.878 -21.107 1.00 0.00 C ATOM 121 OG SER A 2 93.203 -12.024 -21.395 1.00 0.00 O ATOM 0 H SER A 2 89.252 -12.757 -20.895 1.00 0.00 H new ATOM 0 HA SER A 2 91.260 -12.556 -23.075 1.00 0.00 H new ATOM 0 HB2 SER A 2 91.515 -10.839 -21.239 1.00 0.00 H new ATOM 0 HB3 SER A 2 91.622 -12.138 -20.067 1.00 0.00 H new ATOM 0 HG SER A 2 93.724 -11.443 -20.802 1.00 0.00 H new ATOM 127 N GLY A 3 92.262 -14.796 -22.562 1.00 0.00 N ATOM 128 CA GLY A 3 92.676 -16.184 -22.390 1.00 0.00 C ATOM 129 C GLY A 3 93.809 -16.294 -21.376 1.00 0.00 C ATOM 130 O GLY A 3 94.214 -15.300 -20.773 1.00 0.00 O ATOM 0 H GLY A 3 92.715 -14.310 -23.336 1.00 0.00 H new ATOM 0 HA2 GLY A 3 91.827 -16.782 -22.059 1.00 0.00 H new ATOM 0 HA3 GLY A 3 92.999 -16.592 -23.348 1.00 0.00 H new ATOM 134 N LEU A 4 94.318 -17.508 -21.194 1.00 0.00 N ATOM 135 CA LEU A 4 95.411 -17.735 -20.257 1.00 0.00 C ATOM 136 C LEU A 4 96.754 -17.636 -20.972 1.00 0.00 C ATOM 137 O LEU A 4 96.899 -18.094 -22.106 1.00 0.00 O ATOM 138 CB LEU A 4 95.276 -19.116 -19.609 1.00 0.00 C ATOM 139 CG LEU A 4 93.992 -19.176 -18.777 1.00 0.00 C ATOM 140 CD1 LEU A 4 92.812 -19.555 -19.676 1.00 0.00 C ATOM 141 CD2 LEU A 4 94.144 -20.226 -17.673 1.00 0.00 C ATOM 0 H LEU A 4 93.994 -18.344 -21.680 1.00 0.00 H new ATOM 0 HA LEU A 4 95.363 -16.969 -19.483 1.00 0.00 H new ATOM 0 HB2 LEU A 4 95.258 -19.888 -20.378 1.00 0.00 H new ATOM 0 HB3 LEU A 4 96.140 -19.317 -18.976 1.00 0.00 H new ATOM 0 HG LEU A 4 93.809 -18.199 -18.330 1.00 0.00 H new ATOM 0 HD11 LEU A 4 91.900 -19.597 -19.081 1.00 0.00 H new ATOM 0 HD12 LEU A 4 92.699 -18.808 -20.462 1.00 0.00 H new ATOM 0 HD13 LEU A 4 92.996 -20.530 -20.126 1.00 0.00 H new ATOM 0 HD21 LEU A 4 93.229 -20.267 -17.082 1.00 0.00 H new ATOM 0 HD22 LEU A 4 94.330 -21.202 -18.122 1.00 0.00 H new ATOM 0 HD23 LEU A 4 94.981 -19.958 -17.028 1.00 0.00 H new ATOM 153 N VAL A 5 97.735 -17.037 -20.304 1.00 0.00 N ATOM 154 CA VAL A 5 99.058 -16.871 -20.895 1.00 0.00 C ATOM 155 C VAL A 5 99.720 -18.243 -21.068 1.00 0.00 C ATOM 156 O VAL A 5 99.546 -19.108 -20.207 1.00 0.00 O ATOM 157 CB VAL A 5 99.922 -15.984 -19.989 1.00 0.00 C ATOM 158 CG1 VAL A 5 101.295 -15.758 -20.625 1.00 0.00 C ATOM 159 CG2 VAL A 5 99.237 -14.628 -19.790 1.00 0.00 C ATOM 0 H VAL A 5 97.640 -16.661 -19.361 1.00 0.00 H new ATOM 0 HA VAL A 5 98.961 -16.395 -21.871 1.00 0.00 H new ATOM 0 HB VAL A 5 100.046 -16.483 -19.028 1.00 0.00 H new ATOM 0 HG11 VAL A 5 101.899 -15.127 -19.973 1.00 0.00 H new ATOM 0 HG12 VAL A 5 101.793 -16.717 -20.765 1.00 0.00 H new ATOM 0 HG13 VAL A 5 101.172 -15.268 -21.591 1.00 0.00 H new ATOM 0 HG21 VAL A 5 99.853 -14.000 -19.146 1.00 0.00 H new ATOM 0 HG22 VAL A 5 99.108 -14.140 -20.756 1.00 0.00 H new ATOM 0 HG23 VAL A 5 98.262 -14.777 -19.326 1.00 0.00 H new ATOM 169 N PRO A 6 100.464 -18.478 -22.130 1.00 0.00 N ATOM 170 CA PRO A 6 101.146 -19.786 -22.335 1.00 0.00 C ATOM 171 C PRO A 6 102.549 -19.803 -21.736 1.00 0.00 C ATOM 172 O PRO A 6 102.967 -18.846 -21.084 1.00 0.00 O ATOM 173 CB PRO A 6 101.199 -19.909 -23.856 1.00 0.00 C ATOM 174 CG PRO A 6 101.297 -18.507 -24.362 1.00 0.00 C ATOM 175 CD PRO A 6 100.750 -17.583 -23.267 1.00 0.00 C ATOM 0 HA PRO A 6 100.626 -20.610 -21.847 1.00 0.00 H new ATOM 0 HB2 PRO A 6 102.057 -20.502 -24.173 1.00 0.00 H new ATOM 0 HB3 PRO A 6 100.308 -20.405 -24.242 1.00 0.00 H new ATOM 0 HG2 PRO A 6 102.332 -18.255 -24.595 1.00 0.00 H new ATOM 0 HG3 PRO A 6 100.725 -18.391 -25.283 1.00 0.00 H new ATOM 0 HD2 PRO A 6 101.477 -16.818 -22.995 1.00 0.00 H new ATOM 0 HD3 PRO A 6 99.850 -17.065 -23.599 1.00 0.00 H new ATOM 183 N ARG A 7 103.272 -20.895 -21.962 1.00 0.00 N ATOM 184 CA ARG A 7 104.634 -21.015 -21.455 1.00 0.00 C ATOM 185 C ARG A 7 105.504 -19.889 -22.003 1.00 0.00 C ATOM 186 O ARG A 7 105.287 -19.409 -23.116 1.00 0.00 O ATOM 187 CB ARG A 7 105.226 -22.367 -21.859 1.00 0.00 C ATOM 188 CG ARG A 7 104.422 -23.492 -21.207 1.00 0.00 C ATOM 189 CD ARG A 7 105.039 -24.842 -21.578 1.00 0.00 C ATOM 190 NE ARG A 7 106.342 -25.000 -20.926 1.00 0.00 N ATOM 191 CZ ARG A 7 106.493 -25.153 -19.601 1.00 0.00 C ATOM 192 NH1 ARG A 7 105.473 -25.173 -18.779 1.00 0.00 N ATOM 193 NH2 ARG A 7 107.697 -25.286 -19.116 1.00 0.00 N ATOM 0 H ARG A 7 102.941 -21.703 -22.489 1.00 0.00 H new ATOM 0 HA ARG A 7 104.608 -20.945 -20.368 1.00 0.00 H new ATOM 0 HB2 ARG A 7 105.208 -22.474 -22.944 1.00 0.00 H new ATOM 0 HB3 ARG A 7 106.270 -22.426 -21.550 1.00 0.00 H new ATOM 0 HG2 ARG A 7 104.416 -23.368 -20.124 1.00 0.00 H new ATOM 0 HG3 ARG A 7 103.384 -23.451 -21.538 1.00 0.00 H new ATOM 0 HD2 ARG A 7 104.373 -25.650 -21.276 1.00 0.00 H new ATOM 0 HD3 ARG A 7 105.155 -24.912 -22.660 1.00 0.00 H new ATOM 0 HE ARG A 7 107.178 -24.993 -21.510 1.00 0.00 H new ATOM 0 HH11 ARG A 7 104.525 -25.070 -19.140 1.00 0.00 H new ATOM 0 HH12 ARG A 7 105.627 -25.291 -17.778 1.00 0.00 H new ATOM 0 HH21 ARG A 7 108.503 -25.273 -19.741 1.00 0.00 H new ATOM 0 HH22 ARG A 7 107.832 -25.403 -18.112 1.00 0.00 H new ATOM 207 N GLY A 8 106.490 -19.470 -21.216 1.00 0.00 N ATOM 208 CA GLY A 8 107.369 -18.379 -21.624 1.00 0.00 C ATOM 209 C GLY A 8 108.026 -18.674 -22.969 1.00 0.00 C ATOM 210 O GLY A 8 108.681 -19.702 -23.140 1.00 0.00 O ATOM 0 H GLY A 8 106.700 -19.865 -20.299 1.00 0.00 H new ATOM 0 HA2 GLY A 8 106.797 -17.453 -21.691 1.00 0.00 H new ATOM 0 HA3 GLY A 8 108.138 -18.225 -20.867 1.00 0.00 H new ATOM 214 N SER A 9 107.844 -17.764 -23.919 1.00 0.00 N ATOM 215 CA SER A 9 108.427 -17.927 -25.246 1.00 0.00 C ATOM 216 C SER A 9 108.778 -16.568 -25.844 1.00 0.00 C ATOM 217 O SER A 9 108.301 -15.534 -25.375 1.00 0.00 O ATOM 218 CB SER A 9 107.442 -18.653 -26.164 1.00 0.00 C ATOM 219 OG SER A 9 106.343 -17.795 -26.439 1.00 0.00 O ATOM 0 H SER A 9 107.300 -16.910 -23.797 1.00 0.00 H new ATOM 0 HA SER A 9 109.338 -18.518 -25.154 1.00 0.00 H new ATOM 0 HB2 SER A 9 107.936 -18.941 -27.092 1.00 0.00 H new ATOM 0 HB3 SER A 9 107.093 -19.571 -25.690 1.00 0.00 H new ATOM 0 HG SER A 9 105.709 -18.254 -27.028 1.00 0.00 H new ATOM 225 N GLY A 10 109.610 -16.575 -26.879 1.00 0.00 N ATOM 226 CA GLY A 10 110.008 -15.333 -27.531 1.00 0.00 C ATOM 227 C GLY A 10 108.807 -14.654 -28.181 1.00 0.00 C ATOM 228 O GLY A 10 108.208 -15.192 -29.112 1.00 0.00 O ATOM 0 H GLY A 10 110.019 -17.418 -27.282 1.00 0.00 H new ATOM 0 HA2 GLY A 10 110.460 -14.662 -26.800 1.00 0.00 H new ATOM 0 HA3 GLY A 10 110.767 -15.540 -28.286 1.00 0.00 H new ATOM 232 N MET A 11 108.462 -13.470 -27.683 1.00 0.00 N ATOM 233 CA MET A 11 107.324 -12.724 -28.214 1.00 0.00 C ATOM 234 C MET A 11 107.695 -11.261 -28.430 1.00 0.00 C ATOM 235 O MET A 11 108.682 -10.771 -27.880 1.00 0.00 O ATOM 236 CB MET A 11 106.146 -12.814 -27.242 1.00 0.00 C ATOM 237 CG MET A 11 105.683 -14.269 -27.133 1.00 0.00 C ATOM 238 SD MET A 11 104.155 -14.355 -26.166 1.00 0.00 S ATOM 239 CE MET A 11 104.804 -13.653 -24.630 1.00 0.00 C ATOM 0 H MET A 11 108.951 -13.008 -26.916 1.00 0.00 H new ATOM 0 HA MET A 11 107.042 -13.160 -29.172 1.00 0.00 H new ATOM 0 HB2 MET A 11 106.441 -12.441 -26.261 1.00 0.00 H new ATOM 0 HB3 MET A 11 105.326 -12.185 -27.589 1.00 0.00 H new ATOM 0 HG2 MET A 11 105.519 -14.683 -28.128 1.00 0.00 H new ATOM 0 HG3 MET A 11 106.458 -14.872 -26.660 1.00 0.00 H new ATOM 0 HE1 MET A 11 104.154 -13.930 -23.800 1.00 0.00 H new ATOM 0 HE2 MET A 11 105.807 -14.038 -24.449 1.00 0.00 H new ATOM 0 HE3 MET A 11 104.842 -12.567 -24.714 1.00 0.00 H new ATOM 249 N LYS A 12 106.896 -10.569 -29.234 1.00 0.00 N ATOM 250 CA LYS A 12 107.136 -9.157 -29.506 1.00 0.00 C ATOM 251 C LYS A 12 106.652 -8.287 -28.346 1.00 0.00 C ATOM 252 O LYS A 12 105.913 -8.750 -27.477 1.00 0.00 O ATOM 253 CB LYS A 12 106.456 -8.758 -30.825 1.00 0.00 C ATOM 254 CG LYS A 12 104.928 -8.809 -30.695 1.00 0.00 C ATOM 255 CD LYS A 12 104.290 -8.529 -32.056 1.00 0.00 C ATOM 256 CE LYS A 12 102.793 -8.272 -31.877 1.00 0.00 C ATOM 257 NZ LYS A 12 102.581 -6.868 -31.427 1.00 0.00 N ATOM 0 H LYS A 12 106.081 -10.960 -29.706 1.00 0.00 H new ATOM 0 HA LYS A 12 108.209 -8.995 -29.607 1.00 0.00 H new ATOM 0 HB2 LYS A 12 106.767 -7.752 -31.109 1.00 0.00 H new ATOM 0 HB3 LYS A 12 106.779 -9.428 -31.622 1.00 0.00 H new ATOM 0 HG2 LYS A 12 104.616 -9.787 -30.330 1.00 0.00 H new ATOM 0 HG3 LYS A 12 104.590 -8.074 -29.965 1.00 0.00 H new ATOM 0 HD2 LYS A 12 104.765 -7.665 -32.521 1.00 0.00 H new ATOM 0 HD3 LYS A 12 104.447 -9.376 -32.724 1.00 0.00 H new ATOM 0 HE2 LYS A 12 102.268 -8.447 -32.816 1.00 0.00 H new ATOM 0 HE3 LYS A 12 102.379 -8.966 -31.146 1.00 0.00 H new ATOM 0 HZ1 LYS A 12 101.564 -6.651 -31.435 1.00 0.00 H new ATOM 0 HZ2 LYS A 12 102.952 -6.753 -30.462 1.00 0.00 H new ATOM 0 HZ3 LYS A 12 103.079 -6.219 -32.069 1.00 0.00 H new ATOM 271 N GLU A 13 107.074 -7.027 -28.338 1.00 0.00 N ATOM 272 CA GLU A 13 106.678 -6.108 -27.276 1.00 0.00 C ATOM 273 C GLU A 13 105.162 -5.929 -27.268 1.00 0.00 C ATOM 274 O GLU A 13 104.525 -5.897 -28.320 1.00 0.00 O ATOM 275 CB GLU A 13 107.358 -4.746 -27.448 1.00 0.00 C ATOM 276 CG GLU A 13 108.872 -4.878 -27.237 1.00 0.00 C ATOM 277 CD GLU A 13 109.565 -5.471 -28.464 1.00 0.00 C ATOM 278 OE1 GLU A 13 108.990 -5.434 -29.541 1.00 0.00 O ATOM 279 OE2 GLU A 13 110.672 -5.961 -28.306 1.00 0.00 O ATOM 0 H GLU A 13 107.684 -6.621 -29.047 1.00 0.00 H new ATOM 0 HA GLU A 13 106.994 -6.537 -26.325 1.00 0.00 H new ATOM 0 HB2 GLU A 13 107.155 -4.354 -28.445 1.00 0.00 H new ATOM 0 HB3 GLU A 13 106.945 -4.033 -26.735 1.00 0.00 H new ATOM 0 HG2 GLU A 13 109.296 -3.898 -27.018 1.00 0.00 H new ATOM 0 HG3 GLU A 13 109.065 -5.509 -26.370 1.00 0.00 H new ATOM 286 N THR A 14 104.593 -5.812 -26.070 1.00 0.00 N ATOM 287 CA THR A 14 103.148 -5.654 -25.922 1.00 0.00 C ATOM 288 C THR A 14 102.826 -4.369 -25.166 1.00 0.00 C ATOM 289 O THR A 14 103.699 -3.773 -24.536 1.00 0.00 O ATOM 290 CB THR A 14 102.563 -6.848 -25.163 1.00 0.00 C ATOM 291 OG1 THR A 14 103.099 -6.880 -23.848 1.00 0.00 O ATOM 292 CG2 THR A 14 102.907 -8.150 -25.889 1.00 0.00 C ATOM 0 H THR A 14 105.109 -5.824 -25.190 1.00 0.00 H new ATOM 0 HA THR A 14 102.706 -5.603 -26.917 1.00 0.00 H new ATOM 0 HB THR A 14 101.479 -6.745 -25.114 1.00 0.00 H new ATOM 0 HG1 THR A 14 102.724 -7.643 -23.360 1.00 0.00 H new ATOM 0 HG21 THR A 14 102.487 -8.994 -25.342 1.00 0.00 H new ATOM 0 HG22 THR A 14 102.490 -8.126 -26.896 1.00 0.00 H new ATOM 0 HG23 THR A 14 103.990 -8.259 -25.948 1.00 0.00 H new ATOM 300 N ALA A 15 101.567 -3.950 -25.236 1.00 0.00 N ATOM 301 CA ALA A 15 101.137 -2.732 -24.557 1.00 0.00 C ATOM 302 C ALA A 15 101.394 -2.834 -23.057 1.00 0.00 C ATOM 303 O ALA A 15 101.335 -3.920 -22.479 1.00 0.00 O ATOM 304 CB ALA A 15 99.647 -2.495 -24.807 1.00 0.00 C ATOM 0 H ALA A 15 100.831 -4.432 -25.752 1.00 0.00 H new ATOM 0 HA ALA A 15 101.710 -1.895 -24.955 1.00 0.00 H new ATOM 0 HB1 ALA A 15 99.333 -1.584 -24.297 1.00 0.00 H new ATOM 0 HB2 ALA A 15 99.470 -2.391 -25.877 1.00 0.00 H new ATOM 0 HB3 ALA A 15 99.075 -3.340 -24.425 1.00 0.00 H new ATOM 310 N ALA A 16 101.676 -1.696 -22.432 1.00 0.00 N ATOM 311 CA ALA A 16 101.948 -1.667 -20.999 1.00 0.00 C ATOM 312 C ALA A 16 100.764 -2.229 -20.218 1.00 0.00 C ATOM 313 O ALA A 16 99.612 -2.087 -20.630 1.00 0.00 O ATOM 314 CB ALA A 16 102.223 -0.232 -20.549 1.00 0.00 C ATOM 0 H ALA A 16 101.722 -0.787 -22.891 1.00 0.00 H new ATOM 0 HA ALA A 16 102.825 -2.284 -20.802 1.00 0.00 H new ATOM 0 HB1 ALA A 16 102.425 -0.219 -19.478 1.00 0.00 H new ATOM 0 HB2 ALA A 16 103.087 0.158 -21.086 1.00 0.00 H new ATOM 0 HB3 ALA A 16 101.353 0.389 -20.762 1.00 0.00 H new ATOM 320 N ALA A 17 101.057 -2.865 -19.089 1.00 0.00 N ATOM 321 CA ALA A 17 100.010 -3.453 -18.260 1.00 0.00 C ATOM 322 C ALA A 17 99.018 -2.386 -17.812 1.00 0.00 C ATOM 323 O ALA A 17 99.387 -1.232 -17.595 1.00 0.00 O ATOM 324 CB ALA A 17 100.632 -4.123 -17.033 1.00 0.00 C ATOM 0 H ALA A 17 102.003 -2.986 -18.728 1.00 0.00 H new ATOM 0 HA ALA A 17 99.479 -4.199 -18.852 1.00 0.00 H new ATOM 0 HB1 ALA A 17 99.845 -4.560 -16.419 1.00 0.00 H new ATOM 0 HB2 ALA A 17 101.318 -4.907 -17.355 1.00 0.00 H new ATOM 0 HB3 ALA A 17 101.177 -3.381 -16.450 1.00 0.00 H new ATOM 330 N LYS A 18 97.756 -2.781 -17.677 1.00 0.00 N ATOM 331 CA LYS A 18 96.713 -1.850 -17.260 1.00 0.00 C ATOM 332 C LYS A 18 96.597 -1.819 -15.740 1.00 0.00 C ATOM 333 O LYS A 18 96.876 -2.811 -15.065 1.00 0.00 O ATOM 334 CB LYS A 18 95.371 -2.263 -17.868 1.00 0.00 C ATOM 335 CG LYS A 18 95.438 -2.137 -19.391 1.00 0.00 C ATOM 336 CD LYS A 18 94.146 -2.677 -20.007 1.00 0.00 C ATOM 337 CE LYS A 18 92.983 -1.751 -19.650 1.00 0.00 C ATOM 338 NZ LYS A 18 91.757 -2.192 -20.374 1.00 0.00 N ATOM 0 H LYS A 18 97.432 -3.733 -17.849 1.00 0.00 H new ATOM 0 HA LYS A 18 96.980 -0.854 -17.612 1.00 0.00 H new ATOM 0 HB2 LYS A 18 95.134 -3.289 -17.588 1.00 0.00 H new ATOM 0 HB3 LYS A 18 94.573 -1.633 -17.475 1.00 0.00 H new ATOM 0 HG2 LYS A 18 95.580 -1.094 -19.674 1.00 0.00 H new ATOM 0 HG3 LYS A 18 96.295 -2.691 -19.775 1.00 0.00 H new ATOM 0 HD2 LYS A 18 94.249 -2.748 -21.090 1.00 0.00 H new ATOM 0 HD3 LYS A 18 93.949 -3.684 -19.639 1.00 0.00 H new ATOM 0 HE2 LYS A 18 92.809 -1.767 -18.574 1.00 0.00 H new ATOM 0 HE3 LYS A 18 93.227 -0.723 -19.918 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 90.965 -1.563 -20.132 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 91.927 -2.155 -21.399 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 91.522 -3.166 -20.097 1.00 0.00 H new ATOM 352 N PHE A 19 96.182 -0.673 -15.206 1.00 0.00 N ATOM 353 CA PHE A 19 96.032 -0.514 -13.762 1.00 0.00 C ATOM 354 C PHE A 19 94.555 -0.449 -13.385 1.00 0.00 C ATOM 355 O PHE A 19 93.745 0.131 -14.107 1.00 0.00 O ATOM 356 CB PHE A 19 96.733 0.765 -13.305 1.00 0.00 C ATOM 357 CG PHE A 19 98.222 0.757 -13.556 1.00 0.00 C ATOM 358 CD1 PHE A 19 99.085 0.160 -12.629 1.00 0.00 C ATOM 359 CD2 PHE A 19 98.741 1.345 -14.715 1.00 0.00 C ATOM 360 CE1 PHE A 19 100.465 0.152 -12.861 1.00 0.00 C ATOM 361 CE2 PHE A 19 100.121 1.337 -14.948 1.00 0.00 C ATOM 362 CZ PHE A 19 100.983 0.741 -14.021 1.00 0.00 C ATOM 0 H PHE A 19 95.944 0.157 -15.749 1.00 0.00 H new ATOM 0 HA PHE A 19 96.486 -1.373 -13.268 1.00 0.00 H new ATOM 0 HB2 PHE A 19 96.290 1.617 -13.821 1.00 0.00 H new ATOM 0 HB3 PHE A 19 96.553 0.908 -12.240 1.00 0.00 H new ATOM 0 HD1 PHE A 19 98.685 -0.295 -11.734 1.00 0.00 H new ATOM 0 HD2 PHE A 19 98.076 1.805 -15.430 1.00 0.00 H new ATOM 0 HE1 PHE A 19 101.130 -0.308 -12.146 1.00 0.00 H new ATOM 0 HE2 PHE A 19 100.520 1.791 -15.843 1.00 0.00 H new ATOM 0 HZ PHE A 19 102.048 0.735 -14.200 1.00 0.00 H new ATOM 372 N GLU A 20 94.213 -1.049 -12.248 1.00 0.00 N ATOM 373 CA GLU A 20 92.828 -1.071 -11.789 1.00 0.00 C ATOM 374 C GLU A 20 92.615 -0.051 -10.675 1.00 0.00 C ATOM 375 O GLU A 20 93.550 0.307 -9.959 1.00 0.00 O ATOM 376 CB GLU A 20 92.472 -2.468 -11.277 1.00 0.00 C ATOM 377 CG GLU A 20 92.602 -3.482 -12.420 1.00 0.00 C ATOM 378 CD GLU A 20 92.173 -4.887 -11.985 1.00 0.00 C ATOM 379 OE1 GLU A 20 91.973 -5.112 -10.800 1.00 0.00 O ATOM 380 OE2 GLU A 20 92.047 -5.730 -12.858 1.00 0.00 O ATOM 0 H GLU A 20 94.872 -1.524 -11.631 1.00 0.00 H new ATOM 0 HA GLU A 20 92.182 -0.814 -12.629 1.00 0.00 H new ATOM 0 HB2 GLU A 20 93.132 -2.744 -10.455 1.00 0.00 H new ATOM 0 HB3 GLU A 20 91.455 -2.475 -10.885 1.00 0.00 H new ATOM 0 HG2 GLU A 20 91.991 -3.160 -13.263 1.00 0.00 H new ATOM 0 HG3 GLU A 20 93.635 -3.508 -12.767 1.00 0.00 H new ATOM 387 N ARG A 21 91.377 0.412 -10.536 1.00 0.00 N ATOM 388 CA ARG A 21 91.047 1.392 -9.507 1.00 0.00 C ATOM 389 C ARG A 21 91.110 0.758 -8.121 1.00 0.00 C ATOM 390 O ARG A 21 90.795 -0.419 -7.951 1.00 0.00 O ATOM 391 CB ARG A 21 89.644 1.952 -9.753 1.00 0.00 C ATOM 392 CG ARG A 21 89.366 3.089 -8.766 1.00 0.00 C ATOM 393 CD ARG A 21 87.943 3.609 -8.974 1.00 0.00 C ATOM 394 NE ARG A 21 87.700 4.775 -8.119 1.00 0.00 N ATOM 395 CZ ARG A 21 88.197 5.994 -8.374 1.00 0.00 C ATOM 396 NH1 ARG A 21 88.947 6.241 -9.422 1.00 0.00 N ATOM 397 NH2 ARG A 21 87.924 6.971 -7.552 1.00 0.00 N ATOM 0 H ARG A 21 90.590 0.127 -11.119 1.00 0.00 H new ATOM 0 HA ARG A 21 91.775 2.202 -9.555 1.00 0.00 H new ATOM 0 HB2 ARG A 21 89.561 2.317 -10.777 1.00 0.00 H new ATOM 0 HB3 ARG A 21 88.901 1.164 -9.634 1.00 0.00 H new ATOM 0 HG2 ARG A 21 89.489 2.735 -7.743 1.00 0.00 H new ATOM 0 HG3 ARG A 21 90.084 3.896 -8.912 1.00 0.00 H new ATOM 0 HD2 ARG A 21 87.796 3.879 -10.020 1.00 0.00 H new ATOM 0 HD3 ARG A 21 87.224 2.823 -8.743 1.00 0.00 H new ATOM 0 HE ARG A 21 87.123 4.653 -7.287 1.00 0.00 H new ATOM 0 HH11 ARG A 21 89.171 5.492 -10.077 1.00 0.00 H new ATOM 0 HH12 ARG A 21 89.306 7.182 -9.582 1.00 0.00 H new ATOM 0 HH21 ARG A 21 87.342 6.800 -6.732 1.00 0.00 H new ATOM 0 HH22 ARG A 21 88.293 7.905 -7.730 1.00 0.00 H new ATOM 411 N GLN A 22 91.521 1.548 -7.135 1.00 0.00 N ATOM 412 CA GLN A 22 91.629 1.053 -5.767 1.00 0.00 C ATOM 413 C GLN A 22 90.292 1.185 -5.044 1.00 0.00 C ATOM 414 O GLN A 22 89.600 2.194 -5.179 1.00 0.00 O ATOM 415 CB GLN A 22 92.702 1.842 -5.011 1.00 0.00 C ATOM 416 CG GLN A 22 92.933 1.211 -3.636 1.00 0.00 C ATOM 417 CD GLN A 22 93.720 -0.087 -3.784 1.00 0.00 C ATOM 418 OE1 GLN A 22 94.872 -0.069 -4.219 1.00 0.00 O ATOM 419 NE2 GLN A 22 93.166 -1.218 -3.446 1.00 0.00 N ATOM 0 H GLN A 22 91.783 2.526 -7.255 1.00 0.00 H new ATOM 0 HA GLN A 22 91.908 -0.000 -5.800 1.00 0.00 H new ATOM 0 HB2 GLN A 22 93.632 1.848 -5.580 1.00 0.00 H new ATOM 0 HB3 GLN A 22 92.391 2.881 -4.898 1.00 0.00 H new ATOM 0 HG2 GLN A 22 93.477 1.905 -2.995 1.00 0.00 H new ATOM 0 HG3 GLN A 22 91.977 1.013 -3.152 1.00 0.00 H new ATOM 0 HE21 GLN A 22 92.212 -1.231 -3.086 1.00 0.00 H new ATOM 0 HE22 GLN A 22 93.687 -2.090 -3.542 1.00 0.00 H new ATOM 428 N HIS A 23 89.936 0.157 -4.278 1.00 0.00 N ATOM 429 CA HIS A 23 88.674 0.150 -3.543 1.00 0.00 C ATOM 430 C HIS A 23 88.932 0.100 -2.042 1.00 0.00 C ATOM 431 O HIS A 23 89.855 -0.574 -1.582 1.00 0.00 O ATOM 432 CB HIS A 23 87.839 -1.063 -3.958 1.00 0.00 C ATOM 433 CG HIS A 23 86.487 -1.114 -3.300 1.00 0.00 C ATOM 434 ND1 HIS A 23 86.253 -1.847 -2.148 1.00 0.00 N ATOM 435 CD2 HIS A 23 85.287 -0.528 -3.622 1.00 0.00 C ATOM 436 CE1 HIS A 23 84.959 -1.687 -1.821 1.00 0.00 C ATOM 437 NE2 HIS A 23 84.323 -0.892 -2.685 1.00 0.00 N ATOM 0 H HIS A 23 90.503 -0.681 -4.150 1.00 0.00 H new ATOM 0 HA HIS A 23 88.130 1.065 -3.778 1.00 0.00 H new ATOM 0 HB2 HIS A 23 87.708 -1.051 -5.040 1.00 0.00 H new ATOM 0 HB3 HIS A 23 88.388 -1.973 -3.714 1.00 0.00 H new ATOM 0 HD2 HIS A 23 85.117 0.116 -4.472 1.00 0.00 H new ATOM 0 HE1 HIS A 23 84.490 -2.146 -0.963 1.00 0.00 H new ATOM 0 HE2 HIS A 23 83.343 -0.612 -2.663 1.00 0.00 H new ATOM 445 N MET A 24 88.111 0.817 -1.280 1.00 0.00 N ATOM 446 CA MET A 24 88.272 0.862 0.168 1.00 0.00 C ATOM 447 C MET A 24 87.560 -0.316 0.825 1.00 0.00 C ATOM 448 O MET A 24 86.515 -0.764 0.354 1.00 0.00 O ATOM 449 CB MET A 24 87.704 2.173 0.717 1.00 0.00 C ATOM 450 CG MET A 24 88.494 3.352 0.143 1.00 0.00 C ATOM 451 SD MET A 24 87.974 4.880 0.960 1.00 0.00 S ATOM 452 CE MET A 24 88.765 4.564 2.558 1.00 0.00 C ATOM 0 H MET A 24 87.333 1.371 -1.639 1.00 0.00 H new ATOM 0 HA MET A 24 89.336 0.802 0.397 1.00 0.00 H new ATOM 0 HB2 MET A 24 86.651 2.264 0.452 1.00 0.00 H new ATOM 0 HB3 MET A 24 87.761 2.179 1.805 1.00 0.00 H new ATOM 0 HG2 MET A 24 89.562 3.194 0.290 1.00 0.00 H new ATOM 0 HG3 MET A 24 88.328 3.427 -0.932 1.00 0.00 H new ATOM 0 HE1 MET A 24 89.012 5.512 3.036 1.00 0.00 H new ATOM 0 HE2 MET A 24 88.083 4.002 3.197 1.00 0.00 H new ATOM 0 HE3 MET A 24 89.677 3.987 2.405 1.00 0.00 H new ATOM 462 N ASP A 25 88.134 -0.813 1.917 1.00 0.00 N ATOM 463 CA ASP A 25 87.554 -1.947 2.625 1.00 0.00 C ATOM 464 C ASP A 25 87.768 -1.806 4.128 1.00 0.00 C ATOM 465 O ASP A 25 88.634 -1.054 4.574 1.00 0.00 O ATOM 466 CB ASP A 25 88.194 -3.249 2.138 1.00 0.00 C ATOM 467 CG ASP A 25 87.461 -4.445 2.736 1.00 0.00 C ATOM 468 OD1 ASP A 25 86.448 -4.835 2.177 1.00 0.00 O ATOM 469 OD2 ASP A 25 87.923 -4.956 3.742 1.00 0.00 O ATOM 0 H ASP A 25 88.994 -0.450 2.328 1.00 0.00 H new ATOM 0 HA ASP A 25 86.483 -1.969 2.422 1.00 0.00 H new ATOM 0 HB2 ASP A 25 88.158 -3.297 1.050 1.00 0.00 H new ATOM 0 HB3 ASP A 25 89.246 -3.276 2.424 1.00 0.00 H new ATOM 474 N SER A 26 86.971 -2.532 4.905 1.00 0.00 N ATOM 475 CA SER A 26 87.074 -2.473 6.359 1.00 0.00 C ATOM 476 C SER A 26 88.493 -2.825 6.813 1.00 0.00 C ATOM 477 O SER A 26 89.201 -3.540 6.103 1.00 0.00 O ATOM 478 CB SER A 26 86.078 -3.444 6.993 1.00 0.00 C ATOM 479 OG SER A 26 84.856 -3.397 6.270 1.00 0.00 O ATOM 0 H SER A 26 86.251 -3.164 4.555 1.00 0.00 H new ATOM 0 HA SER A 26 86.844 -1.457 6.679 1.00 0.00 H new ATOM 0 HB2 SER A 26 86.482 -4.456 6.983 1.00 0.00 H new ATOM 0 HB3 SER A 26 85.908 -3.179 8.037 1.00 0.00 H new ATOM 0 HG SER A 26 84.214 -4.019 6.672 1.00 0.00 H new ATOM 485 N PRO A 27 88.928 -2.353 7.965 1.00 0.00 N ATOM 486 CA PRO A 27 90.311 -2.643 8.452 1.00 0.00 C ATOM 487 C PRO A 27 90.479 -4.102 8.867 1.00 0.00 C ATOM 488 O PRO A 27 89.615 -4.673 9.532 1.00 0.00 O ATOM 489 CB PRO A 27 90.494 -1.710 9.651 1.00 0.00 C ATOM 490 CG PRO A 27 89.117 -1.441 10.152 1.00 0.00 C ATOM 491 CD PRO A 27 88.193 -1.514 8.938 1.00 0.00 C ATOM 0 HA PRO A 27 91.055 -2.480 7.672 1.00 0.00 H new ATOM 0 HB2 PRO A 27 91.109 -2.175 10.421 1.00 0.00 H new ATOM 0 HB3 PRO A 27 90.994 -0.787 9.358 1.00 0.00 H new ATOM 0 HG2 PRO A 27 88.828 -2.174 10.905 1.00 0.00 H new ATOM 0 HG3 PRO A 27 89.061 -0.460 10.624 1.00 0.00 H new ATOM 0 HD2 PRO A 27 87.231 -1.956 9.197 1.00 0.00 H new ATOM 0 HD3 PRO A 27 87.989 -0.523 8.534 1.00 0.00 H new ATOM 499 N ASP A 28 91.599 -4.698 8.469 1.00 0.00 N ATOM 500 CA ASP A 28 91.877 -6.091 8.801 1.00 0.00 C ATOM 501 C ASP A 28 93.334 -6.259 9.222 1.00 0.00 C ATOM 502 O ASP A 28 94.145 -5.346 9.065 1.00 0.00 O ATOM 503 CB ASP A 28 91.588 -6.984 7.591 1.00 0.00 C ATOM 504 CG ASP A 28 90.113 -6.903 7.206 1.00 0.00 C ATOM 505 OD1 ASP A 28 89.293 -6.707 8.089 1.00 0.00 O ATOM 506 OD2 ASP A 28 89.823 -7.038 6.029 1.00 0.00 O ATOM 0 H ASP A 28 92.326 -4.240 7.919 1.00 0.00 H new ATOM 0 HA ASP A 28 91.233 -6.384 9.631 1.00 0.00 H new ATOM 0 HB2 ASP A 28 92.207 -6.676 6.748 1.00 0.00 H new ATOM 0 HB3 ASP A 28 91.854 -8.016 7.821 1.00 0.00 H new ATOM 511 N LEU A 29 93.658 -7.431 9.760 1.00 0.00 N ATOM 512 CA LEU A 29 95.020 -7.706 10.205 1.00 0.00 C ATOM 513 C LEU A 29 95.857 -8.263 9.058 1.00 0.00 C ATOM 514 O LEU A 29 95.354 -9.001 8.211 1.00 0.00 O ATOM 515 CB LEU A 29 95.003 -8.709 11.362 1.00 0.00 C ATOM 516 CG LEU A 29 94.143 -8.172 12.510 1.00 0.00 C ATOM 517 CD1 LEU A 29 94.056 -9.225 13.615 1.00 0.00 C ATOM 518 CD2 LEU A 29 94.778 -6.900 13.079 1.00 0.00 C ATOM 0 H LEU A 29 93.002 -8.200 9.898 1.00 0.00 H new ATOM 0 HA LEU A 29 95.465 -6.771 10.544 1.00 0.00 H new ATOM 0 HB2 LEU A 29 94.609 -9.666 11.019 1.00 0.00 H new ATOM 0 HB3 LEU A 29 96.019 -8.890 11.712 1.00 0.00 H new ATOM 0 HG LEU A 29 93.145 -7.945 12.136 1.00 0.00 H new ATOM 0 HD11 LEU A 29 93.444 -8.844 14.433 1.00 0.00 H new ATOM 0 HD12 LEU A 29 93.605 -10.134 13.217 1.00 0.00 H new ATOM 0 HD13 LEU A 29 95.057 -9.449 13.984 1.00 0.00 H new ATOM 0 HD21 LEU A 29 94.164 -6.521 13.896 1.00 0.00 H new ATOM 0 HD22 LEU A 29 95.777 -7.127 13.452 1.00 0.00 H new ATOM 0 HD23 LEU A 29 94.846 -6.145 12.295 1.00 0.00 H new ATOM 530 N GLY A 30 97.136 -7.904 9.040 1.00 0.00 N ATOM 531 CA GLY A 30 98.032 -8.356 7.981 1.00 0.00 C ATOM 532 C GLY A 30 98.573 -9.751 8.277 1.00 0.00 C ATOM 533 O GLY A 30 98.170 -10.394 9.246 1.00 0.00 O ATOM 0 H GLY A 30 97.574 -7.306 9.741 1.00 0.00 H new ATOM 0 HA2 GLY A 30 97.501 -8.363 7.029 1.00 0.00 H new ATOM 0 HA3 GLY A 30 98.861 -7.656 7.878 1.00 0.00 H new ATOM 537 N THR A 31 99.492 -10.212 7.431 1.00 0.00 N ATOM 538 CA THR A 31 100.086 -11.536 7.596 1.00 0.00 C ATOM 539 C THR A 31 101.602 -11.470 7.427 1.00 0.00 C ATOM 540 O THR A 31 102.139 -10.478 6.934 1.00 0.00 O ATOM 541 CB THR A 31 99.475 -12.511 6.582 1.00 0.00 C ATOM 542 OG1 THR A 31 100.000 -13.812 6.805 1.00 0.00 O ATOM 543 CG2 THR A 31 99.789 -12.063 5.151 1.00 0.00 C ATOM 0 H THR A 31 99.840 -9.690 6.627 1.00 0.00 H new ATOM 0 HA THR A 31 99.872 -11.893 8.603 1.00 0.00 H new ATOM 0 HB THR A 31 98.393 -12.525 6.711 1.00 0.00 H new ATOM 0 HG1 THR A 31 99.610 -14.437 6.159 1.00 0.00 H new ATOM 0 HG21 THR A 31 99.348 -12.766 4.445 1.00 0.00 H new ATOM 0 HG22 THR A 31 99.374 -11.070 4.981 1.00 0.00 H new ATOM 0 HG23 THR A 31 100.869 -12.034 5.008 1.00 0.00 H new ATOM 551 N ASP A 32 102.288 -12.532 7.839 1.00 0.00 N ATOM 552 CA ASP A 32 103.742 -12.573 7.742 1.00 0.00 C ATOM 553 C ASP A 32 104.192 -12.510 6.285 1.00 0.00 C ATOM 554 O ASP A 32 103.380 -12.642 5.369 1.00 0.00 O ATOM 555 CB ASP A 32 104.274 -13.853 8.397 1.00 0.00 C ATOM 556 CG ASP A 32 103.688 -15.109 7.746 1.00 0.00 C ATOM 557 OD1 ASP A 32 103.170 -15.019 6.643 1.00 0.00 O ATOM 558 OD2 ASP A 32 103.767 -16.155 8.368 1.00 0.00 O ATOM 0 H ASP A 32 101.864 -13.369 8.240 1.00 0.00 H new ATOM 0 HA ASP A 32 104.145 -11.705 8.264 1.00 0.00 H new ATOM 0 HB2 ASP A 32 105.361 -13.877 8.320 1.00 0.00 H new ATOM 0 HB3 ASP A 32 104.030 -13.846 9.459 1.00 0.00 H new ATOM 563 N ASP A 33 105.490 -12.308 6.081 1.00 0.00 N ATOM 564 CA ASP A 33 106.032 -12.201 4.732 1.00 0.00 C ATOM 565 C ASP A 33 105.995 -13.551 4.022 1.00 0.00 C ATOM 566 O ASP A 33 106.295 -14.586 4.615 1.00 0.00 O ATOM 567 CB ASP A 33 107.476 -11.694 4.788 1.00 0.00 C ATOM 568 CG ASP A 33 107.522 -10.277 5.356 1.00 0.00 C ATOM 569 OD1 ASP A 33 106.575 -9.536 5.144 1.00 0.00 O ATOM 570 OD2 ASP A 33 108.509 -9.953 5.995 1.00 0.00 O ATOM 0 H ASP A 33 106.181 -12.216 6.826 1.00 0.00 H new ATOM 0 HA ASP A 33 105.417 -11.496 4.173 1.00 0.00 H new ATOM 0 HB2 ASP A 33 108.078 -12.360 5.406 1.00 0.00 H new ATOM 0 HB3 ASP A 33 107.911 -11.706 3.789 1.00 0.00 H new ATOM 575 N ASP A 34 105.621 -13.527 2.748 1.00 0.00 N ATOM 576 CA ASP A 34 105.568 -14.746 1.951 1.00 0.00 C ATOM 577 C ASP A 34 105.848 -14.433 0.484 1.00 0.00 C ATOM 578 O ASP A 34 105.630 -13.309 0.030 1.00 0.00 O ATOM 579 CB ASP A 34 104.190 -15.400 2.082 1.00 0.00 C ATOM 580 CG ASP A 34 104.196 -16.769 1.410 1.00 0.00 C ATOM 581 OD1 ASP A 34 104.612 -17.719 2.053 1.00 0.00 O ATOM 582 OD2 ASP A 34 103.787 -16.846 0.263 1.00 0.00 O ATOM 0 H ASP A 34 105.351 -12.681 2.247 1.00 0.00 H new ATOM 0 HA ASP A 34 106.329 -15.434 2.319 1.00 0.00 H new ATOM 0 HB2 ASP A 34 103.926 -15.504 3.135 1.00 0.00 H new ATOM 0 HB3 ASP A 34 103.432 -14.765 1.624 1.00 0.00 H new ATOM 587 N ASP A 35 106.330 -15.429 -0.251 1.00 0.00 N ATOM 588 CA ASP A 35 106.624 -15.241 -1.667 1.00 0.00 C ATOM 589 C ASP A 35 105.331 -15.163 -2.474 1.00 0.00 C ATOM 590 O ASP A 35 104.250 -15.438 -1.954 1.00 0.00 O ATOM 591 CB ASP A 35 107.495 -16.394 -2.182 1.00 0.00 C ATOM 592 CG ASP A 35 106.756 -17.727 -2.083 1.00 0.00 C ATOM 593 OD1 ASP A 35 105.912 -17.859 -1.210 1.00 0.00 O ATOM 594 OD2 ASP A 35 107.049 -18.602 -2.881 1.00 0.00 O ATOM 0 H ASP A 35 106.524 -16.365 0.105 1.00 0.00 H new ATOM 0 HA ASP A 35 107.168 -14.304 -1.787 1.00 0.00 H new ATOM 0 HB2 ASP A 35 107.776 -16.207 -3.218 1.00 0.00 H new ATOM 0 HB3 ASP A 35 108.418 -16.443 -1.605 1.00 0.00 H new ATOM 599 N LYS A 36 105.448 -14.788 -3.743 1.00 0.00 N ATOM 600 CA LYS A 36 104.275 -14.669 -4.601 1.00 0.00 C ATOM 601 C LYS A 36 104.061 -15.950 -5.399 1.00 0.00 C ATOM 602 O LYS A 36 104.866 -16.297 -6.264 1.00 0.00 O ATOM 603 CB LYS A 36 104.447 -13.490 -5.561 1.00 0.00 C ATOM 604 CG LYS A 36 104.489 -12.184 -4.765 1.00 0.00 C ATOM 605 CD LYS A 36 104.813 -11.018 -5.702 1.00 0.00 C ATOM 606 CE LYS A 36 103.633 -10.767 -6.646 1.00 0.00 C ATOM 607 NZ LYS A 36 102.403 -10.502 -5.848 1.00 0.00 N ATOM 0 H LYS A 36 106.333 -14.563 -4.197 1.00 0.00 H new ATOM 0 HA LYS A 36 103.403 -14.499 -3.969 1.00 0.00 H new ATOM 0 HB2 LYS A 36 105.365 -13.607 -6.136 1.00 0.00 H new ATOM 0 HB3 LYS A 36 103.624 -13.466 -6.275 1.00 0.00 H new ATOM 0 HG2 LYS A 36 103.530 -12.014 -4.276 1.00 0.00 H new ATOM 0 HG3 LYS A 36 105.241 -12.250 -3.978 1.00 0.00 H new ATOM 0 HD2 LYS A 36 105.023 -10.120 -5.121 1.00 0.00 H new ATOM 0 HD3 LYS A 36 105.711 -11.242 -6.279 1.00 0.00 H new ATOM 0 HE2 LYS A 36 103.848 -9.918 -7.295 1.00 0.00 H new ATOM 0 HE3 LYS A 36 103.481 -11.632 -7.292 1.00 0.00 H new ATOM 0 HZ1 LYS A 36 101.838 -9.765 -6.316 1.00 0.00 H new ATOM 0 HZ2 LYS A 36 101.842 -11.374 -5.775 1.00 0.00 H new ATOM 0 HZ3 LYS A 36 102.670 -10.182 -4.895 1.00 0.00 H new ATOM 621 N THR A 37 102.971 -16.650 -5.100 1.00 0.00 N ATOM 622 CA THR A 37 102.635 -17.883 -5.809 1.00 0.00 C ATOM 623 C THR A 37 101.175 -17.861 -6.245 1.00 0.00 C ATOM 624 O THR A 37 100.380 -17.070 -5.739 1.00 0.00 O ATOM 625 CB THR A 37 102.880 -19.095 -4.906 1.00 0.00 C ATOM 626 OG1 THR A 37 102.009 -19.033 -3.786 1.00 0.00 O ATOM 627 CG2 THR A 37 104.334 -19.104 -4.426 1.00 0.00 C ATOM 0 H THR A 37 102.306 -16.386 -4.373 1.00 0.00 H new ATOM 0 HA THR A 37 103.271 -17.957 -6.691 1.00 0.00 H new ATOM 0 HB THR A 37 102.686 -20.008 -5.470 1.00 0.00 H new ATOM 0 HG1 THR A 37 102.164 -19.809 -3.208 1.00 0.00 H new ATOM 0 HG21 THR A 37 104.500 -19.969 -3.784 1.00 0.00 H new ATOM 0 HG22 THR A 37 105.001 -19.157 -5.287 1.00 0.00 H new ATOM 0 HG23 THR A 37 104.538 -18.192 -3.865 1.00 0.00 H new ATOM 635 N GLY A 38 100.828 -18.731 -7.189 1.00 0.00 N ATOM 636 CA GLY A 38 99.449 -18.825 -7.650 1.00 0.00 C ATOM 637 C GLY A 38 98.554 -19.393 -6.555 1.00 0.00 C ATOM 638 O GLY A 38 98.929 -20.343 -5.868 1.00 0.00 O ATOM 0 H GLY A 38 101.476 -19.374 -7.645 1.00 0.00 H new ATOM 0 HA2 GLY A 38 99.091 -17.839 -7.945 1.00 0.00 H new ATOM 0 HA3 GLY A 38 99.398 -19.460 -8.534 1.00 0.00 H new ATOM 642 N GLY A 39 97.371 -18.809 -6.393 1.00 0.00 N ATOM 643 CA GLY A 39 96.449 -19.255 -5.356 1.00 0.00 C ATOM 644 C GLY A 39 95.076 -18.610 -5.519 1.00 0.00 C ATOM 645 O GLY A 39 94.794 -17.973 -6.535 1.00 0.00 O ATOM 0 H GLY A 39 97.031 -18.033 -6.961 1.00 0.00 H new ATOM 0 HA2 GLY A 39 96.350 -20.340 -5.396 1.00 0.00 H new ATOM 0 HA3 GLY A 39 96.855 -19.008 -4.375 1.00 0.00 H new ATOM 649 N GLY A 40 94.230 -18.781 -4.509 1.00 0.00 N ATOM 650 CA GLY A 40 92.883 -18.226 -4.547 1.00 0.00 C ATOM 651 C GLY A 40 92.911 -16.705 -4.438 1.00 0.00 C ATOM 652 O GLY A 40 93.867 -16.059 -4.868 1.00 0.00 O ATOM 0 H GLY A 40 94.452 -19.297 -3.658 1.00 0.00 H new ATOM 0 HA2 GLY A 40 92.392 -18.518 -5.476 1.00 0.00 H new ATOM 0 HA3 GLY A 40 92.292 -18.641 -3.730 1.00 0.00 H new ATOM 656 N ARG A 41 91.857 -16.140 -3.858 1.00 0.00 N ATOM 657 CA ARG A 41 91.746 -14.691 -3.724 1.00 0.00 C ATOM 658 C ARG A 41 92.962 -14.115 -3.003 1.00 0.00 C ATOM 659 O ARG A 41 93.580 -14.782 -2.173 1.00 0.00 O ATOM 660 CB ARG A 41 90.477 -14.327 -2.948 1.00 0.00 C ATOM 661 CG ARG A 41 89.271 -14.297 -3.892 1.00 0.00 C ATOM 662 CD ARG A 41 88.743 -15.717 -4.116 1.00 0.00 C ATOM 663 NE ARG A 41 87.607 -15.693 -5.043 1.00 0.00 N ATOM 664 CZ ARG A 41 86.909 -16.787 -5.386 1.00 0.00 C ATOM 665 NH1 ARG A 41 87.198 -17.977 -4.916 1.00 0.00 N ATOM 666 NH2 ARG A 41 85.910 -16.663 -6.216 1.00 0.00 N ATOM 0 H ARG A 41 91.069 -16.662 -3.474 1.00 0.00 H new ATOM 0 HA ARG A 41 91.696 -14.264 -4.726 1.00 0.00 H new ATOM 0 HB2 ARG A 41 90.308 -15.053 -2.152 1.00 0.00 H new ATOM 0 HB3 ARG A 41 90.600 -13.354 -2.471 1.00 0.00 H new ATOM 0 HG2 ARG A 41 88.485 -13.671 -3.471 1.00 0.00 H new ATOM 0 HG3 ARG A 41 89.556 -13.852 -4.845 1.00 0.00 H new ATOM 0 HD2 ARG A 41 89.536 -16.349 -4.517 1.00 0.00 H new ATOM 0 HD3 ARG A 41 88.437 -16.154 -3.165 1.00 0.00 H new ATOM 0 HE ARG A 41 87.333 -14.798 -5.448 1.00 0.00 H new ATOM 0 HH11 ARG A 41 87.976 -18.094 -4.267 1.00 0.00 H new ATOM 0 HH12 ARG A 41 86.645 -18.786 -5.200 1.00 0.00 H new ATOM 0 HH21 ARG A 41 85.671 -15.746 -6.593 1.00 0.00 H new ATOM 0 HH22 ARG A 41 85.368 -17.483 -6.488 1.00 0.00 H new ATOM 680 N ALA A 42 93.297 -12.871 -3.332 1.00 0.00 N ATOM 681 CA ALA A 42 94.440 -12.205 -2.717 1.00 0.00 C ATOM 682 C ALA A 42 94.257 -12.101 -1.206 1.00 0.00 C ATOM 683 O ALA A 42 93.146 -12.241 -0.695 1.00 0.00 O ATOM 684 CB ALA A 42 94.606 -10.804 -3.309 1.00 0.00 C ATOM 0 H ALA A 42 92.796 -12.306 -4.018 1.00 0.00 H new ATOM 0 HA ALA A 42 95.332 -12.797 -2.921 1.00 0.00 H new ATOM 0 HB1 ALA A 42 95.461 -10.312 -2.845 1.00 0.00 H new ATOM 0 HB2 ALA A 42 94.770 -10.880 -4.384 1.00 0.00 H new ATOM 0 HB3 ALA A 42 93.705 -10.220 -3.120 1.00 0.00 H new ATOM 690 N ASP A 43 95.356 -11.856 -0.498 1.00 0.00 N ATOM 691 CA ASP A 43 95.318 -11.753 0.958 1.00 0.00 C ATOM 692 C ASP A 43 94.280 -10.721 1.409 1.00 0.00 C ATOM 693 O ASP A 43 93.835 -9.908 0.598 1.00 0.00 O ATOM 694 CB ASP A 43 96.697 -11.352 1.486 1.00 0.00 C ATOM 695 CG ASP A 43 97.734 -12.398 1.087 1.00 0.00 C ATOM 696 OD1 ASP A 43 97.692 -13.485 1.639 1.00 0.00 O ATOM 697 OD2 ASP A 43 98.553 -12.097 0.236 1.00 0.00 O ATOM 0 H ASP A 43 96.281 -11.725 -0.907 1.00 0.00 H new ATOM 0 HA ASP A 43 95.037 -12.726 1.360 1.00 0.00 H new ATOM 0 HB2 ASP A 43 96.979 -10.378 1.087 1.00 0.00 H new ATOM 0 HB3 ASP A 43 96.666 -11.255 2.571 1.00 0.00 H new ATOM 702 N PRO A 44 93.883 -10.726 2.666 1.00 0.00 N ATOM 703 CA PRO A 44 92.836 -9.778 3.156 1.00 0.00 C ATOM 704 C PRO A 44 93.248 -8.318 2.976 1.00 0.00 C ATOM 705 O PRO A 44 94.402 -8.019 2.670 1.00 0.00 O ATOM 706 CB PRO A 44 92.665 -10.117 4.643 1.00 0.00 C ATOM 707 CG PRO A 44 93.251 -11.476 4.816 1.00 0.00 C ATOM 708 CD PRO A 44 94.345 -11.605 3.761 1.00 0.00 C ATOM 0 HA PRO A 44 91.910 -9.887 2.592 1.00 0.00 H new ATOM 0 HB2 PRO A 44 93.175 -9.388 5.272 1.00 0.00 H new ATOM 0 HB3 PRO A 44 91.613 -10.105 4.929 1.00 0.00 H new ATOM 0 HG2 PRO A 44 93.661 -11.599 5.819 1.00 0.00 H new ATOM 0 HG3 PRO A 44 92.492 -12.247 4.686 1.00 0.00 H new ATOM 0 HD2 PRO A 44 95.313 -11.287 4.148 1.00 0.00 H new ATOM 0 HD3 PRO A 44 94.458 -12.636 3.426 1.00 0.00 H new ATOM 716 N ALA A 45 92.290 -7.417 3.169 1.00 0.00 N ATOM 717 CA ALA A 45 92.546 -5.989 3.019 1.00 0.00 C ATOM 718 C ALA A 45 93.556 -5.508 4.056 1.00 0.00 C ATOM 719 O ALA A 45 93.718 -6.123 5.111 1.00 0.00 O ATOM 720 CB ALA A 45 91.242 -5.205 3.174 1.00 0.00 C ATOM 0 H ALA A 45 91.332 -7.650 3.429 1.00 0.00 H new ATOM 0 HA ALA A 45 92.958 -5.819 2.024 1.00 0.00 H new ATOM 0 HB1 ALA A 45 91.442 -4.140 3.061 1.00 0.00 H new ATOM 0 HB2 ALA A 45 90.533 -5.524 2.410 1.00 0.00 H new ATOM 0 HB3 ALA A 45 90.820 -5.392 4.162 1.00 0.00 H new ATOM 726 N HIS A 46 94.233 -4.406 3.748 1.00 0.00 N ATOM 727 CA HIS A 46 95.229 -3.840 4.654 1.00 0.00 C ATOM 728 C HIS A 46 94.763 -2.481 5.169 1.00 0.00 C ATOM 729 O HIS A 46 93.730 -1.965 4.740 1.00 0.00 O ATOM 730 CB HIS A 46 96.564 -3.678 3.926 1.00 0.00 C ATOM 731 CG HIS A 46 97.060 -4.952 3.298 1.00 0.00 C ATOM 732 ND1 HIS A 46 97.485 -6.032 4.054 1.00 0.00 N ATOM 733 CD2 HIS A 46 97.207 -5.332 1.986 1.00 0.00 C ATOM 734 CE1 HIS A 46 97.863 -7.001 3.202 1.00 0.00 C ATOM 735 NE2 HIS A 46 97.715 -6.627 1.928 1.00 0.00 N ATOM 0 H HIS A 46 94.111 -3.887 2.879 1.00 0.00 H new ATOM 0 HA HIS A 46 95.356 -4.517 5.498 1.00 0.00 H new ATOM 0 HB2 HIS A 46 96.458 -2.918 3.152 1.00 0.00 H new ATOM 0 HB3 HIS A 46 97.312 -3.314 4.630 1.00 0.00 H new ATOM 0 HD2 HIS A 46 96.965 -4.719 1.130 1.00 0.00 H new ATOM 0 HE1 HIS A 46 98.240 -7.965 3.510 1.00 0.00 H new ATOM 0 HE2 HIS A 46 97.928 -7.173 1.093 1.00 0.00 H new ATOM 743 N ARG A 47 95.529 -1.906 6.091 1.00 0.00 N ATOM 744 CA ARG A 47 95.170 -0.620 6.676 1.00 0.00 C ATOM 745 C ARG A 47 95.007 0.440 5.591 1.00 0.00 C ATOM 746 O ARG A 47 95.718 0.428 4.587 1.00 0.00 O ATOM 747 CB ARG A 47 96.248 -0.178 7.666 1.00 0.00 C ATOM 748 CG ARG A 47 96.330 -1.185 8.816 1.00 0.00 C ATOM 749 CD ARG A 47 97.336 -0.695 9.857 1.00 0.00 C ATOM 750 NE ARG A 47 97.580 -1.739 10.857 1.00 0.00 N ATOM 751 CZ ARG A 47 97.959 -1.481 12.118 1.00 0.00 C ATOM 752 NH1 ARG A 47 98.144 -0.260 12.558 1.00 0.00 N ATOM 753 NH2 ARG A 47 98.152 -2.480 12.934 1.00 0.00 N ATOM 0 H ARG A 47 96.397 -2.307 6.447 1.00 0.00 H new ATOM 0 HA ARG A 47 94.220 -0.734 7.199 1.00 0.00 H new ATOM 0 HB2 ARG A 47 97.212 -0.106 7.162 1.00 0.00 H new ATOM 0 HB3 ARG A 47 96.016 0.814 8.053 1.00 0.00 H new ATOM 0 HG2 ARG A 47 95.349 -1.309 9.274 1.00 0.00 H new ATOM 0 HG3 ARG A 47 96.631 -2.162 8.437 1.00 0.00 H new ATOM 0 HD2 ARG A 47 98.272 -0.423 9.369 1.00 0.00 H new ATOM 0 HD3 ARG A 47 96.958 0.204 10.344 1.00 0.00 H new ATOM 0 HE ARG A 47 97.455 -2.713 10.580 1.00 0.00 H new ATOM 0 HH11 ARG A 47 98.000 0.534 11.934 1.00 0.00 H new ATOM 0 HH12 ARG A 47 98.432 -0.104 13.524 1.00 0.00 H new ATOM 0 HH21 ARG A 47 98.015 -3.437 12.610 1.00 0.00 H new ATOM 0 HH22 ARG A 47 98.440 -2.304 13.896 1.00 0.00 H new ATOM 767 N SER A 48 94.069 1.357 5.806 1.00 0.00 N ATOM 768 CA SER A 48 93.793 2.408 4.832 1.00 0.00 C ATOM 769 C SER A 48 95.006 3.340 4.687 1.00 0.00 C ATOM 770 O SER A 48 95.322 4.051 5.643 1.00 0.00 O ATOM 771 CB SER A 48 92.596 3.231 5.307 1.00 0.00 C ATOM 772 OG SER A 48 91.508 2.358 5.578 1.00 0.00 O ATOM 0 H SER A 48 93.488 1.394 6.644 1.00 0.00 H new ATOM 0 HA SER A 48 93.580 1.945 3.869 1.00 0.00 H new ATOM 0 HB2 SER A 48 92.859 3.794 6.203 1.00 0.00 H new ATOM 0 HB3 SER A 48 92.314 3.958 4.545 1.00 0.00 H new ATOM 0 HG SER A 48 90.738 2.881 5.885 1.00 0.00 H new ATOM 778 N PRO A 49 95.692 3.371 3.559 1.00 0.00 N ATOM 779 CA PRO A 49 96.848 4.305 3.378 1.00 0.00 C ATOM 780 C PRO A 49 96.401 5.766 3.402 1.00 0.00 C ATOM 781 O PRO A 49 95.227 6.064 3.184 1.00 0.00 O ATOM 782 CB PRO A 49 97.448 3.935 2.014 1.00 0.00 C ATOM 783 CG PRO A 49 96.868 2.607 1.663 1.00 0.00 C ATOM 784 CD PRO A 49 95.506 2.551 2.347 1.00 0.00 C ATOM 0 HA PRO A 49 97.573 4.207 4.186 1.00 0.00 H new ATOM 0 HB2 PRO A 49 97.198 4.682 1.261 1.00 0.00 H new ATOM 0 HB3 PRO A 49 98.536 3.886 2.065 1.00 0.00 H new ATOM 0 HG2 PRO A 49 96.767 2.498 0.583 1.00 0.00 H new ATOM 0 HG3 PRO A 49 97.511 1.797 2.007 1.00 0.00 H new ATOM 0 HD2 PRO A 49 94.720 2.953 1.708 1.00 0.00 H new ATOM 0 HD3 PRO A 49 95.224 1.528 2.595 1.00 0.00 H new ATOM 792 N VAL A 50 97.340 6.672 3.667 1.00 0.00 N ATOM 793 CA VAL A 50 97.014 8.093 3.708 1.00 0.00 C ATOM 794 C VAL A 50 97.202 8.698 2.312 1.00 0.00 C ATOM 795 O VAL A 50 98.172 8.346 1.639 1.00 0.00 O ATOM 796 CB VAL A 50 97.929 8.806 4.713 1.00 0.00 C ATOM 797 CG1 VAL A 50 97.559 10.288 4.802 1.00 0.00 C ATOM 798 CG2 VAL A 50 97.770 8.170 6.096 1.00 0.00 C ATOM 0 H VAL A 50 98.318 6.451 3.854 1.00 0.00 H new ATOM 0 HA VAL A 50 95.977 8.220 4.020 1.00 0.00 H new ATOM 0 HB VAL A 50 98.961 8.709 4.377 1.00 0.00 H new ATOM 0 HG11 VAL A 50 98.214 10.784 5.518 1.00 0.00 H new ATOM 0 HG12 VAL A 50 97.675 10.751 3.822 1.00 0.00 H new ATOM 0 HG13 VAL A 50 96.524 10.386 5.130 1.00 0.00 H new ATOM 0 HG21 VAL A 50 98.421 8.678 6.807 1.00 0.00 H new ATOM 0 HG22 VAL A 50 96.734 8.262 6.422 1.00 0.00 H new ATOM 0 HG23 VAL A 50 98.042 7.116 6.045 1.00 0.00 H new ATOM 808 N PRO A 51 96.348 9.599 1.865 1.00 0.00 N ATOM 809 CA PRO A 51 96.515 10.218 0.512 1.00 0.00 C ATOM 810 C PRO A 51 97.917 10.792 0.327 1.00 0.00 C ATOM 811 O PRO A 51 98.444 11.463 1.213 1.00 0.00 O ATOM 812 CB PRO A 51 95.464 11.330 0.466 1.00 0.00 C ATOM 813 CG PRO A 51 94.427 10.934 1.460 1.00 0.00 C ATOM 814 CD PRO A 51 95.148 10.130 2.540 1.00 0.00 C ATOM 0 HA PRO A 51 96.387 9.487 -0.286 1.00 0.00 H new ATOM 0 HB2 PRO A 51 95.902 12.296 0.718 1.00 0.00 H new ATOM 0 HB3 PRO A 51 95.036 11.425 -0.532 1.00 0.00 H new ATOM 0 HG2 PRO A 51 93.944 11.812 1.888 1.00 0.00 H new ATOM 0 HG3 PRO A 51 93.645 10.338 0.989 1.00 0.00 H new ATOM 0 HD2 PRO A 51 95.416 10.758 3.390 1.00 0.00 H new ATOM 0 HD3 PRO A 51 94.519 9.326 2.923 1.00 0.00 H new ATOM 822 N LEU A 52 98.516 10.522 -0.829 1.00 0.00 N ATOM 823 CA LEU A 52 99.873 10.984 -1.096 1.00 0.00 C ATOM 824 C LEU A 52 99.921 12.513 -1.124 1.00 0.00 C ATOM 825 O LEU A 52 98.913 13.147 -1.440 1.00 0.00 O ATOM 826 CB LEU A 52 100.356 10.445 -2.446 1.00 0.00 C ATOM 827 CG LEU A 52 100.932 9.038 -2.279 1.00 0.00 C ATOM 828 CD1 LEU A 52 101.145 8.416 -3.659 1.00 0.00 C ATOM 829 CD2 LEU A 52 102.275 9.114 -1.549 1.00 0.00 C ATOM 0 H LEU A 52 98.088 9.992 -1.588 1.00 0.00 H new ATOM 0 HA LEU A 52 100.521 10.617 -0.300 1.00 0.00 H new ATOM 0 HB2 LEU A 52 99.528 10.425 -3.155 1.00 0.00 H new ATOM 0 HB3 LEU A 52 101.114 11.109 -2.860 1.00 0.00 H new ATOM 0 HG LEU A 52 100.239 8.429 -1.700 1.00 0.00 H new ATOM 0 HD11 LEU A 52 101.556 7.413 -3.546 1.00 0.00 H new ATOM 0 HD12 LEU A 52 100.192 8.361 -4.184 1.00 0.00 H new ATOM 0 HD13 LEU A 52 101.840 9.030 -4.232 1.00 0.00 H new ATOM 0 HD21 LEU A 52 102.683 8.110 -1.432 1.00 0.00 H new ATOM 0 HD22 LEU A 52 102.970 9.722 -2.128 1.00 0.00 H new ATOM 0 HD23 LEU A 52 102.130 9.564 -0.567 1.00 0.00 H new ATOM 841 N PRO A 53 101.045 13.125 -0.804 1.00 0.00 N ATOM 842 CA PRO A 53 101.180 14.609 -0.920 1.00 0.00 C ATOM 843 C PRO A 53 100.983 15.070 -2.361 1.00 0.00 C ATOM 844 O PRO A 53 101.437 14.410 -3.301 1.00 0.00 O ATOM 845 CB PRO A 53 102.601 14.916 -0.432 1.00 0.00 C ATOM 846 CG PRO A 53 103.037 13.710 0.326 1.00 0.00 C ATOM 847 CD PRO A 53 102.293 12.527 -0.289 1.00 0.00 C ATOM 0 HA PRO A 53 100.425 15.133 -0.334 1.00 0.00 H new ATOM 0 HB2 PRO A 53 103.269 15.114 -1.271 1.00 0.00 H new ATOM 0 HB3 PRO A 53 102.614 15.803 0.202 1.00 0.00 H new ATOM 0 HG2 PRO A 53 104.116 13.573 0.251 1.00 0.00 H new ATOM 0 HG3 PRO A 53 102.801 13.810 1.385 1.00 0.00 H new ATOM 0 HD2 PRO A 53 102.872 12.061 -1.086 1.00 0.00 H new ATOM 0 HD3 PRO A 53 102.090 11.753 0.452 1.00 0.00 H new ATOM 855 N SER A 54 100.341 16.225 -2.530 1.00 0.00 N ATOM 856 CA SER A 54 100.033 16.731 -3.865 1.00 0.00 C ATOM 857 C SER A 54 101.317 16.841 -4.696 1.00 0.00 C ATOM 858 O SER A 54 102.334 17.304 -4.177 1.00 0.00 O ATOM 859 CB SER A 54 99.370 18.104 -3.763 1.00 0.00 C ATOM 860 OG SER A 54 100.286 19.023 -3.181 1.00 0.00 O ATOM 0 H SER A 54 100.027 16.823 -1.766 1.00 0.00 H new ATOM 0 HA SER A 54 99.349 16.037 -4.353 1.00 0.00 H new ATOM 0 HB2 SER A 54 99.068 18.450 -4.752 1.00 0.00 H new ATOM 0 HB3 SER A 54 98.466 18.041 -3.158 1.00 0.00 H new ATOM 0 HG SER A 54 101.203 18.726 -3.356 1.00 0.00 H new ATOM 866 N PRO A 55 101.305 16.442 -5.949 1.00 0.00 N ATOM 867 CA PRO A 55 102.567 16.325 -6.732 1.00 0.00 C ATOM 868 C PRO A 55 103.066 17.658 -7.275 1.00 0.00 C ATOM 869 O PRO A 55 102.376 18.327 -8.044 1.00 0.00 O ATOM 870 CB PRO A 55 102.190 15.381 -7.873 1.00 0.00 C ATOM 871 CG PRO A 55 100.736 15.616 -8.113 1.00 0.00 C ATOM 872 CD PRO A 55 100.139 16.120 -6.796 1.00 0.00 C ATOM 0 HA PRO A 55 103.389 15.965 -6.113 1.00 0.00 H new ATOM 0 HB2 PRO A 55 102.776 15.592 -8.768 1.00 0.00 H new ATOM 0 HB3 PRO A 55 102.382 14.342 -7.604 1.00 0.00 H new ATOM 0 HG2 PRO A 55 100.590 16.348 -8.907 1.00 0.00 H new ATOM 0 HG3 PRO A 55 100.245 14.697 -8.432 1.00 0.00 H new ATOM 0 HD2 PRO A 55 99.513 16.998 -6.956 1.00 0.00 H new ATOM 0 HD3 PRO A 55 99.510 15.361 -6.331 1.00 0.00 H new ATOM 880 N THR A 56 104.272 18.036 -6.866 1.00 0.00 N ATOM 881 CA THR A 56 104.964 19.147 -7.505 1.00 0.00 C ATOM 882 C THR A 56 105.696 18.598 -8.723 1.00 0.00 C ATOM 883 O THR A 56 106.010 17.406 -8.761 1.00 0.00 O ATOM 884 CB THR A 56 105.964 19.791 -6.541 1.00 0.00 C ATOM 885 OG1 THR A 56 106.981 18.853 -6.221 1.00 0.00 O ATOM 886 CG2 THR A 56 105.247 20.229 -5.261 1.00 0.00 C ATOM 0 H THR A 56 104.785 17.595 -6.103 1.00 0.00 H new ATOM 0 HA THR A 56 104.246 19.913 -7.798 1.00 0.00 H new ATOM 0 HB THR A 56 106.410 20.665 -7.016 1.00 0.00 H new ATOM 0 HG1 THR A 56 106.665 17.947 -6.420 1.00 0.00 H new ATOM 0 HG21 THR A 56 105.965 20.686 -4.580 1.00 0.00 H new ATOM 0 HG22 THR A 56 104.470 20.952 -5.508 1.00 0.00 H new ATOM 0 HG23 THR A 56 104.795 19.361 -4.782 1.00 0.00 H new ATOM 894 N SER A 57 105.998 19.450 -9.701 1.00 0.00 N ATOM 895 CA SER A 57 106.574 18.956 -10.950 1.00 0.00 C ATOM 896 C SER A 57 107.865 18.185 -10.684 1.00 0.00 C ATOM 897 O SER A 57 108.786 18.690 -10.043 1.00 0.00 O ATOM 898 CB SER A 57 106.865 20.129 -11.888 1.00 0.00 C ATOM 899 OG SER A 57 105.650 20.807 -12.178 1.00 0.00 O ATOM 0 H SER A 57 105.858 20.459 -9.657 1.00 0.00 H new ATOM 0 HA SER A 57 105.854 18.283 -11.416 1.00 0.00 H new ATOM 0 HB2 SER A 57 107.576 20.813 -11.425 1.00 0.00 H new ATOM 0 HB3 SER A 57 107.323 19.769 -12.809 1.00 0.00 H new ATOM 0 HG SER A 57 105.831 21.561 -12.777 1.00 0.00 H new ATOM 905 N ASN A 58 107.906 16.951 -11.178 1.00 0.00 N ATOM 906 CA ASN A 58 109.115 16.134 -11.121 1.00 0.00 C ATOM 907 C ASN A 58 109.545 15.809 -9.688 1.00 0.00 C ATOM 908 O ASN A 58 110.709 15.474 -9.470 1.00 0.00 O ATOM 909 CB ASN A 58 110.261 16.846 -11.844 1.00 0.00 C ATOM 910 CG ASN A 58 109.903 17.064 -13.311 1.00 0.00 C ATOM 911 OD1 ASN A 58 109.076 16.341 -13.867 1.00 0.00 O ATOM 912 ND2 ASN A 58 110.482 18.025 -13.977 1.00 0.00 N ATOM 0 H ASN A 58 107.112 16.493 -11.625 1.00 0.00 H new ATOM 0 HA ASN A 58 108.881 15.191 -11.614 1.00 0.00 H new ATOM 0 HB2 ASN A 58 110.463 17.804 -11.365 1.00 0.00 H new ATOM 0 HB3 ASN A 58 111.173 16.253 -11.769 1.00 0.00 H new ATOM 0 HD21 ASN A 58 110.249 18.177 -14.958 1.00 0.00 H new ATOM 0 HD22 ASN A 58 111.167 18.624 -13.516 1.00 0.00 H new ATOM 919 N LYS A 59 108.631 15.891 -8.718 1.00 0.00 N ATOM 920 CA LYS A 59 109.006 15.654 -7.324 1.00 0.00 C ATOM 921 C LYS A 59 107.799 15.303 -6.450 1.00 0.00 C ATOM 922 O LYS A 59 106.710 15.846 -6.630 1.00 0.00 O ATOM 923 CB LYS A 59 109.688 16.907 -6.767 1.00 0.00 C ATOM 924 CG LYS A 59 110.235 16.628 -5.365 1.00 0.00 C ATOM 925 CD LYS A 59 110.835 17.912 -4.790 1.00 0.00 C ATOM 926 CE LYS A 59 111.519 17.608 -3.457 1.00 0.00 C ATOM 927 NZ LYS A 59 112.820 16.928 -3.709 1.00 0.00 N ATOM 0 H LYS A 59 107.647 16.115 -8.867 1.00 0.00 H new ATOM 0 HA LYS A 59 109.686 14.802 -7.303 1.00 0.00 H new ATOM 0 HB2 LYS A 59 110.499 17.214 -7.428 1.00 0.00 H new ATOM 0 HB3 LYS A 59 108.977 17.732 -6.731 1.00 0.00 H new ATOM 0 HG2 LYS A 59 109.438 16.264 -4.717 1.00 0.00 H new ATOM 0 HG3 LYS A 59 110.993 15.846 -5.407 1.00 0.00 H new ATOM 0 HD2 LYS A 59 111.555 18.335 -5.491 1.00 0.00 H new ATOM 0 HD3 LYS A 59 110.053 18.658 -4.647 1.00 0.00 H new ATOM 0 HE2 LYS A 59 111.681 18.531 -2.901 1.00 0.00 H new ATOM 0 HE3 LYS A 59 110.878 16.974 -2.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 59 113.527 17.268 -3.026 1.00 0.00 H new ATOM 0 HZ2 LYS A 59 112.701 15.900 -3.602 1.00 0.00 H new ATOM 0 HZ3 LYS A 59 113.141 17.140 -4.675 1.00 0.00 H new ATOM 941 N GLN A 60 108.008 14.388 -5.504 1.00 0.00 N ATOM 942 CA GLN A 60 107.005 14.092 -4.482 1.00 0.00 C ATOM 943 C GLN A 60 107.668 13.724 -3.159 1.00 0.00 C ATOM 944 O GLN A 60 108.787 13.217 -3.134 1.00 0.00 O ATOM 945 CB GLN A 60 106.092 12.931 -4.885 1.00 0.00 C ATOM 946 CG GLN A 60 105.137 13.366 -5.993 1.00 0.00 C ATOM 947 CD GLN A 60 104.081 12.287 -6.217 1.00 0.00 C ATOM 948 OE1 GLN A 60 104.324 11.324 -6.945 1.00 0.00 O ATOM 949 NE2 GLN A 60 102.921 12.372 -5.618 1.00 0.00 N ATOM 0 H GLN A 60 108.864 13.839 -5.424 1.00 0.00 H new ATOM 0 HA GLN A 60 106.409 14.998 -4.375 1.00 0.00 H new ATOM 0 HB2 GLN A 60 106.693 12.088 -5.225 1.00 0.00 H new ATOM 0 HB3 GLN A 60 105.524 12.589 -4.020 1.00 0.00 H new ATOM 0 HG2 GLN A 60 104.657 14.307 -5.724 1.00 0.00 H new ATOM 0 HG3 GLN A 60 105.691 13.543 -6.915 1.00 0.00 H new ATOM 0 HE21 GLN A 60 102.716 13.168 -5.014 1.00 0.00 H new ATOM 0 HE22 GLN A 60 102.222 11.642 -5.755 1.00 0.00 H new ATOM 958 N ASP A 61 106.961 13.971 -2.062 1.00 0.00 N ATOM 959 CA ASP A 61 107.406 13.491 -0.760 1.00 0.00 C ATOM 960 C ASP A 61 106.782 12.125 -0.493 1.00 0.00 C ATOM 961 O ASP A 61 105.562 11.972 -0.561 1.00 0.00 O ATOM 962 CB ASP A 61 106.997 14.476 0.337 1.00 0.00 C ATOM 963 CG ASP A 61 107.686 15.823 0.133 1.00 0.00 C ATOM 964 OD1 ASP A 61 108.788 15.838 -0.393 1.00 0.00 O ATOM 965 OD2 ASP A 61 107.099 16.825 0.507 1.00 0.00 O ATOM 0 H ASP A 61 106.086 14.495 -2.048 1.00 0.00 H new ATOM 0 HA ASP A 61 108.493 13.405 -0.758 1.00 0.00 H new ATOM 0 HB2 ASP A 61 105.915 14.610 0.329 1.00 0.00 H new ATOM 0 HB3 ASP A 61 107.260 14.071 1.314 1.00 0.00 H new ATOM 970 N ILE A 62 107.614 11.130 -0.193 1.00 0.00 N ATOM 971 CA ILE A 62 107.129 9.762 -0.014 1.00 0.00 C ATOM 972 C ILE A 62 107.520 9.237 1.370 1.00 0.00 C ATOM 973 O ILE A 62 108.603 9.550 1.865 1.00 0.00 O ATOM 974 CB ILE A 62 107.694 8.884 -1.141 1.00 0.00 C ATOM 975 CG1 ILE A 62 107.005 7.519 -1.125 1.00 0.00 C ATOM 976 CG2 ILE A 62 109.211 8.704 -1.004 1.00 0.00 C ATOM 977 CD1 ILE A 62 105.641 7.628 -1.813 1.00 0.00 C ATOM 0 H ILE A 62 108.620 11.243 -0.069 1.00 0.00 H new ATOM 0 HA ILE A 62 106.041 9.738 -0.069 1.00 0.00 H new ATOM 0 HB ILE A 62 107.500 9.383 -2.090 1.00 0.00 H new ATOM 0 HG12 ILE A 62 107.624 6.781 -1.636 1.00 0.00 H new ATOM 0 HG13 ILE A 62 106.880 7.175 -0.098 1.00 0.00 H new ATOM 0 HG21 ILE A 62 109.578 8.078 -1.817 1.00 0.00 H new ATOM 0 HG22 ILE A 62 109.698 9.678 -1.048 1.00 0.00 H new ATOM 0 HG23 ILE A 62 109.436 8.228 -0.050 1.00 0.00 H new ATOM 0 HD11 ILE A 62 105.149 6.655 -1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 62 105.023 8.353 -1.283 1.00 0.00 H new ATOM 0 HD13 ILE A 62 105.779 7.953 -2.844 1.00 0.00 H new ATOM 989 N SER A 63 106.653 8.434 1.986 1.00 0.00 N ATOM 990 CA SER A 63 106.884 8.017 3.368 1.00 0.00 C ATOM 991 C SER A 63 106.297 6.640 3.663 1.00 0.00 C ATOM 992 O SER A 63 105.408 6.153 2.962 1.00 0.00 O ATOM 993 CB SER A 63 106.275 9.043 4.324 1.00 0.00 C ATOM 994 OG SER A 63 104.857 8.966 4.251 1.00 0.00 O ATOM 0 H SER A 63 105.802 8.066 1.561 1.00 0.00 H new ATOM 0 HA SER A 63 107.963 7.955 3.513 1.00 0.00 H new ATOM 0 HB2 SER A 63 106.610 8.851 5.344 1.00 0.00 H new ATOM 0 HB3 SER A 63 106.611 10.046 4.062 1.00 0.00 H new ATOM 0 HG SER A 63 104.583 8.858 3.316 1.00 0.00 H new ATOM 1000 N GLU A 64 106.796 6.026 4.731 1.00 0.00 N ATOM 1001 CA GLU A 64 106.325 4.712 5.145 1.00 0.00 C ATOM 1002 C GLU A 64 104.813 4.700 5.359 1.00 0.00 C ATOM 1003 O GLU A 64 104.155 3.703 5.067 1.00 0.00 O ATOM 1004 CB GLU A 64 107.028 4.288 6.437 1.00 0.00 C ATOM 1005 CG GLU A 64 106.765 5.324 7.535 1.00 0.00 C ATOM 1006 CD GLU A 64 107.530 4.998 8.823 1.00 0.00 C ATOM 1007 OE1 GLU A 64 108.137 3.941 8.908 1.00 0.00 O ATOM 1008 OE2 GLU A 64 107.495 5.826 9.719 1.00 0.00 O ATOM 0 H GLU A 64 107.527 6.419 5.325 1.00 0.00 H new ATOM 0 HA GLU A 64 106.561 4.008 4.347 1.00 0.00 H new ATOM 0 HB2 GLU A 64 106.667 3.309 6.754 1.00 0.00 H new ATOM 0 HB3 GLU A 64 108.100 4.192 6.264 1.00 0.00 H new ATOM 0 HG2 GLU A 64 107.057 6.312 7.179 1.00 0.00 H new ATOM 0 HG3 GLU A 64 105.697 5.365 7.748 1.00 0.00 H new ATOM 1015 N ALA A 65 104.257 5.810 5.838 1.00 0.00 N ATOM 1016 CA ALA A 65 102.827 5.867 6.124 1.00 0.00 C ATOM 1017 C ALA A 65 102.006 5.548 4.879 1.00 0.00 C ATOM 1018 O ALA A 65 101.035 4.793 4.943 1.00 0.00 O ATOM 1019 CB ALA A 65 102.446 7.259 6.633 1.00 0.00 C ATOM 0 H ALA A 65 104.767 6.671 6.034 1.00 0.00 H new ATOM 0 HA ALA A 65 102.610 5.122 6.890 1.00 0.00 H new ATOM 0 HB1 ALA A 65 101.377 7.290 6.843 1.00 0.00 H new ATOM 0 HB2 ALA A 65 103.001 7.477 7.545 1.00 0.00 H new ATOM 0 HB3 ALA A 65 102.688 8.003 5.874 1.00 0.00 H new ATOM 1025 N ASN A 66 102.398 6.126 3.747 1.00 0.00 N ATOM 1026 CA ASN A 66 101.631 5.958 2.517 1.00 0.00 C ATOM 1027 C ASN A 66 101.759 4.537 1.977 1.00 0.00 C ATOM 1028 O ASN A 66 100.767 3.914 1.600 1.00 0.00 O ATOM 1029 CB ASN A 66 102.112 6.939 1.442 1.00 0.00 C ATOM 1030 CG ASN A 66 102.165 8.365 1.982 1.00 0.00 C ATOM 1031 OD1 ASN A 66 103.235 8.851 2.350 1.00 0.00 O ATOM 1032 ND2 ASN A 66 101.072 9.073 2.043 1.00 0.00 N ATOM 0 H ASN A 66 103.231 6.707 3.656 1.00 0.00 H new ATOM 0 HA ASN A 66 100.587 6.157 2.757 1.00 0.00 H new ATOM 0 HB2 ASN A 66 103.101 6.643 1.092 1.00 0.00 H new ATOM 0 HB3 ASN A 66 101.443 6.897 0.582 1.00 0.00 H new ATOM 0 HD21 ASN A 66 101.103 10.030 2.396 1.00 0.00 H new ATOM 0 HD22 ASN A 66 100.186 8.670 1.738 1.00 0.00 H new ATOM 1039 N LEU A 67 102.987 4.029 1.930 1.00 0.00 N ATOM 1040 CA LEU A 67 103.233 2.705 1.359 1.00 0.00 C ATOM 1041 C LEU A 67 102.760 1.566 2.265 1.00 0.00 C ATOM 1042 O LEU A 67 102.507 0.462 1.782 1.00 0.00 O ATOM 1043 CB LEU A 67 104.721 2.534 1.041 1.00 0.00 C ATOM 1044 CG LEU A 67 105.047 3.283 -0.256 1.00 0.00 C ATOM 1045 CD1 LEU A 67 105.127 4.784 0.027 1.00 0.00 C ATOM 1046 CD2 LEU A 67 106.383 2.789 -0.828 1.00 0.00 C ATOM 0 H LEU A 67 103.820 4.506 2.276 1.00 0.00 H new ATOM 0 HA LEU A 67 102.647 2.647 0.442 1.00 0.00 H new ATOM 0 HB2 LEU A 67 105.327 2.920 1.860 1.00 0.00 H new ATOM 0 HB3 LEU A 67 104.964 1.477 0.936 1.00 0.00 H new ATOM 0 HG LEU A 67 104.260 3.094 -0.986 1.00 0.00 H new ATOM 0 HD11 LEU A 67 105.359 5.316 -0.895 1.00 0.00 H new ATOM 0 HD12 LEU A 67 104.170 5.132 0.416 1.00 0.00 H new ATOM 0 HD13 LEU A 67 105.909 4.974 0.762 1.00 0.00 H new ATOM 0 HD21 LEU A 67 106.606 3.327 -1.749 1.00 0.00 H new ATOM 0 HD22 LEU A 67 107.177 2.967 -0.103 1.00 0.00 H new ATOM 0 HD23 LEU A 67 106.316 1.722 -1.038 1.00 0.00 H new ATOM 1058 N ALA A 68 102.646 1.818 3.571 1.00 0.00 N ATOM 1059 CA ALA A 68 102.263 0.778 4.526 1.00 0.00 C ATOM 1060 C ALA A 68 103.410 -0.238 4.643 1.00 0.00 C ATOM 1061 O ALA A 68 104.563 0.138 4.445 1.00 0.00 O ATOM 1062 CB ALA A 68 100.933 0.127 4.104 1.00 0.00 C ATOM 0 H ALA A 68 102.813 2.733 3.990 1.00 0.00 H new ATOM 0 HA ALA A 68 102.096 1.211 5.512 1.00 0.00 H new ATOM 0 HB1 ALA A 68 100.661 -0.645 4.824 1.00 0.00 H new ATOM 0 HB2 ALA A 68 100.151 0.885 4.072 1.00 0.00 H new ATOM 0 HB3 ALA A 68 101.044 -0.321 3.117 1.00 0.00 H new ATOM 1068 N TYR A 69 103.124 -1.511 4.932 1.00 0.00 N ATOM 1069 CA TYR A 69 104.185 -2.508 5.092 1.00 0.00 C ATOM 1070 C TYR A 69 105.114 -2.552 3.872 1.00 0.00 C ATOM 1071 O TYR A 69 106.281 -2.926 3.991 1.00 0.00 O ATOM 1072 CB TYR A 69 103.575 -3.891 5.317 1.00 0.00 C ATOM 1073 CG TYR A 69 104.598 -4.938 5.693 1.00 0.00 C ATOM 1074 CD1 TYR A 69 104.992 -5.078 7.028 1.00 0.00 C ATOM 1075 CD2 TYR A 69 105.154 -5.762 4.707 1.00 0.00 C ATOM 1076 CE1 TYR A 69 105.943 -6.044 7.379 1.00 0.00 C ATOM 1077 CE2 TYR A 69 106.106 -6.728 5.058 1.00 0.00 C ATOM 1078 CZ TYR A 69 106.500 -6.868 6.394 1.00 0.00 C ATOM 1079 OH TYR A 69 107.440 -7.817 6.742 1.00 0.00 O ATOM 0 H TYR A 69 102.178 -1.872 5.059 1.00 0.00 H new ATOM 0 HA TYR A 69 104.778 -2.218 5.959 1.00 0.00 H new ATOM 0 HB2 TYR A 69 102.824 -3.826 6.105 1.00 0.00 H new ATOM 0 HB3 TYR A 69 103.059 -4.206 4.410 1.00 0.00 H new ATOM 0 HD1 TYR A 69 104.563 -4.441 7.788 1.00 0.00 H new ATOM 0 HD2 TYR A 69 104.849 -5.653 3.677 1.00 0.00 H new ATOM 0 HE1 TYR A 69 106.247 -6.153 8.410 1.00 0.00 H new ATOM 0 HE2 TYR A 69 106.536 -7.364 4.298 1.00 0.00 H new ATOM 0 HH TYR A 69 107.640 -8.379 5.965 1.00 0.00 H new ATOM 1089 N LEU A 70 104.597 -2.171 2.706 1.00 0.00 N ATOM 1090 CA LEU A 70 105.379 -2.190 1.470 1.00 0.00 C ATOM 1091 C LEU A 70 106.699 -1.426 1.618 1.00 0.00 C ATOM 1092 O LEU A 70 107.682 -1.742 0.947 1.00 0.00 O ATOM 1093 CB LEU A 70 104.558 -1.575 0.333 1.00 0.00 C ATOM 1094 CG LEU A 70 105.300 -1.749 -0.993 1.00 0.00 C ATOM 1095 CD1 LEU A 70 105.291 -3.225 -1.393 1.00 0.00 C ATOM 1096 CD2 LEU A 70 104.601 -0.925 -2.077 1.00 0.00 C ATOM 0 H LEU A 70 103.638 -1.844 2.590 1.00 0.00 H new ATOM 0 HA LEU A 70 105.617 -3.229 1.243 1.00 0.00 H new ATOM 0 HB2 LEU A 70 103.580 -2.053 0.279 1.00 0.00 H new ATOM 0 HB3 LEU A 70 104.385 -0.517 0.528 1.00 0.00 H new ATOM 0 HG LEU A 70 106.330 -1.409 -0.881 1.00 0.00 H new ATOM 0 HD11 LEU A 70 105.820 -3.349 -2.338 1.00 0.00 H new ATOM 0 HD12 LEU A 70 105.785 -3.814 -0.621 1.00 0.00 H new ATOM 0 HD13 LEU A 70 104.262 -3.565 -1.506 1.00 0.00 H new ATOM 0 HD21 LEU A 70 105.128 -1.047 -3.023 1.00 0.00 H new ATOM 0 HD22 LEU A 70 103.572 -1.267 -2.188 1.00 0.00 H new ATOM 0 HD23 LEU A 70 104.604 0.127 -1.793 1.00 0.00 H new ATOM 1108 N TRP A 71 106.724 -0.429 2.500 1.00 0.00 N ATOM 1109 CA TRP A 71 107.905 0.409 2.680 1.00 0.00 C ATOM 1110 C TRP A 71 109.127 -0.461 3.010 1.00 0.00 C ATOM 1111 O TRP A 71 109.213 -0.978 4.126 1.00 0.00 O ATOM 1112 CB TRP A 71 107.657 1.368 3.843 1.00 0.00 C ATOM 1113 CG TRP A 71 108.653 2.479 3.931 1.00 0.00 C ATOM 1114 CD1 TRP A 71 109.604 2.593 4.883 1.00 0.00 C ATOM 1115 CD2 TRP A 71 108.807 3.637 3.058 1.00 0.00 C ATOM 1116 NE1 TRP A 71 110.322 3.751 4.659 1.00 0.00 N ATOM 1117 CE2 TRP A 71 109.877 4.426 3.543 1.00 0.00 C ATOM 1118 CE3 TRP A 71 108.131 4.078 1.909 1.00 0.00 C ATOM 1119 CZ2 TRP A 71 110.261 5.610 2.908 1.00 0.00 C ATOM 1120 CZ3 TRP A 71 108.513 5.264 1.266 1.00 0.00 C ATOM 1121 CH2 TRP A 71 109.577 6.029 1.764 1.00 0.00 C ATOM 0 H TRP A 71 105.938 -0.182 3.102 1.00 0.00 H new ATOM 0 HA TRP A 71 108.095 0.962 1.760 1.00 0.00 H new ATOM 0 HB2 TRP A 71 106.659 1.794 3.744 1.00 0.00 H new ATOM 0 HB3 TRP A 71 107.672 0.805 4.776 1.00 0.00 H new ATOM 0 HD1 TRP A 71 109.775 1.893 5.688 1.00 0.00 H new ATOM 0 HE1 TRP A 71 111.091 4.069 5.249 1.00 0.00 H new ATOM 0 HE3 TRP A 71 107.309 3.498 1.517 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 111.080 6.196 3.298 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 107.985 5.590 0.382 1.00 0.00 H new ATOM 0 HH2 TRP A 71 109.868 6.941 1.264 1.00 0.00 H new ATOM 1132 N PRO A 72 110.065 -0.644 2.103 1.00 0.00 N ATOM 1133 CA PRO A 72 111.213 -1.572 2.335 1.00 0.00 C ATOM 1134 C PRO A 72 112.415 -0.920 3.022 1.00 0.00 C ATOM 1135 O PRO A 72 113.331 -1.621 3.450 1.00 0.00 O ATOM 1136 CB PRO A 72 111.581 -2.007 0.921 1.00 0.00 C ATOM 1137 CG PRO A 72 111.322 -0.801 0.084 1.00 0.00 C ATOM 1138 CD PRO A 72 110.179 -0.040 0.759 1.00 0.00 C ATOM 0 HA PRO A 72 110.938 -2.383 3.010 1.00 0.00 H new ATOM 0 HB2 PRO A 72 112.624 -2.317 0.859 1.00 0.00 H new ATOM 0 HB3 PRO A 72 110.977 -2.854 0.596 1.00 0.00 H new ATOM 0 HG2 PRO A 72 112.214 -0.179 0.014 1.00 0.00 H new ATOM 0 HG3 PRO A 72 111.051 -1.085 -0.933 1.00 0.00 H new ATOM 0 HD2 PRO A 72 110.396 1.026 0.822 1.00 0.00 H new ATOM 0 HD3 PRO A 72 109.250 -0.143 0.199 1.00 0.00 H new ATOM 1146 N LEU A 73 112.437 0.409 3.091 1.00 0.00 N ATOM 1147 CA LEU A 73 113.603 1.114 3.619 1.00 0.00 C ATOM 1148 C LEU A 73 113.556 1.228 5.139 1.00 0.00 C ATOM 1149 O LEU A 73 112.490 1.388 5.734 1.00 0.00 O ATOM 1150 CB LEU A 73 113.683 2.520 3.025 1.00 0.00 C ATOM 1151 CG LEU A 73 113.708 2.454 1.497 1.00 0.00 C ATOM 1152 CD1 LEU A 73 113.693 3.881 0.948 1.00 0.00 C ATOM 1153 CD2 LEU A 73 114.981 1.740 1.031 1.00 0.00 C ATOM 0 H LEU A 73 111.671 1.013 2.792 1.00 0.00 H new ATOM 0 HA LEU A 73 114.482 0.534 3.339 1.00 0.00 H new ATOM 0 HB2 LEU A 73 112.828 3.110 3.356 1.00 0.00 H new ATOM 0 HB3 LEU A 73 114.578 3.024 3.388 1.00 0.00 H new ATOM 0 HG LEU A 73 112.840 1.903 1.135 1.00 0.00 H new ATOM 0 HD11 LEU A 73 113.711 3.852 -0.141 1.00 0.00 H new ATOM 0 HD12 LEU A 73 112.789 4.390 1.283 1.00 0.00 H new ATOM 0 HD13 LEU A 73 114.568 4.420 1.311 1.00 0.00 H new ATOM 0 HD21 LEU A 73 114.995 1.695 -0.058 1.00 0.00 H new ATOM 0 HD22 LEU A 73 115.855 2.288 1.383 1.00 0.00 H new ATOM 0 HD23 LEU A 73 115.000 0.728 1.436 1.00 0.00 H new ATOM 1165 N THR A 74 114.732 1.142 5.752 1.00 0.00 N ATOM 1166 CA THR A 74 114.862 1.323 7.192 1.00 0.00 C ATOM 1167 C THR A 74 114.576 2.771 7.584 1.00 0.00 C ATOM 1168 O THR A 74 113.981 3.021 8.633 1.00 0.00 O ATOM 1169 CB THR A 74 116.275 0.942 7.643 1.00 0.00 C ATOM 1170 OG1 THR A 74 117.217 1.799 7.016 1.00 0.00 O ATOM 1171 CG2 THR A 74 116.564 -0.510 7.258 1.00 0.00 C ATOM 0 H THR A 74 115.611 0.947 5.272 1.00 0.00 H new ATOM 0 HA THR A 74 114.135 0.676 7.684 1.00 0.00 H new ATOM 0 HB THR A 74 116.352 1.048 8.725 1.00 0.00 H new ATOM 0 HG1 THR A 74 117.325 1.536 6.078 1.00 0.00 H new ATOM 0 HG21 THR A 74 117.570 -0.778 7.580 1.00 0.00 H new ATOM 0 HG22 THR A 74 115.841 -1.166 7.743 1.00 0.00 H new ATOM 0 HG23 THR A 74 116.487 -0.622 6.176 1.00 0.00 H new ATOM 1179 N VAL A 75 114.999 3.722 6.748 1.00 0.00 N ATOM 1180 CA VAL A 75 114.680 5.123 7.004 1.00 0.00 C ATOM 1181 C VAL A 75 113.179 5.309 6.843 1.00 0.00 C ATOM 1182 O VAL A 75 112.605 4.883 5.847 1.00 0.00 O ATOM 1183 CB VAL A 75 115.436 6.054 6.051 1.00 0.00 C ATOM 1184 CG1 VAL A 75 116.941 5.896 6.270 1.00 0.00 C ATOM 1185 CG2 VAL A 75 115.099 5.712 4.598 1.00 0.00 C ATOM 0 H VAL A 75 115.551 3.551 5.907 1.00 0.00 H new ATOM 0 HA VAL A 75 114.988 5.381 8.017 1.00 0.00 H new ATOM 0 HB VAL A 75 115.138 7.083 6.254 1.00 0.00 H new ATOM 0 HG11 VAL A 75 117.479 6.558 5.592 1.00 0.00 H new ATOM 0 HG12 VAL A 75 117.188 6.153 7.300 1.00 0.00 H new ATOM 0 HG13 VAL A 75 117.231 4.864 6.074 1.00 0.00 H new ATOM 0 HG21 VAL A 75 115.643 6.381 3.931 1.00 0.00 H new ATOM 0 HG22 VAL A 75 115.386 4.681 4.391 1.00 0.00 H new ATOM 0 HG23 VAL A 75 114.028 5.830 4.436 1.00 0.00 H new ATOM 1195 N ASP A 76 112.545 5.929 7.829 1.00 0.00 N ATOM 1196 CA ASP A 76 111.088 5.965 7.873 1.00 0.00 C ATOM 1197 C ASP A 76 110.498 6.680 6.665 1.00 0.00 C ATOM 1198 O ASP A 76 109.401 6.334 6.222 1.00 0.00 O ATOM 1199 CB ASP A 76 110.612 6.643 9.161 1.00 0.00 C ATOM 1200 CG ASP A 76 111.026 5.827 10.384 1.00 0.00 C ATOM 1201 OD1 ASP A 76 111.131 4.616 10.266 1.00 0.00 O ATOM 1202 OD2 ASP A 76 111.232 6.428 11.426 1.00 0.00 O ATOM 0 H ASP A 76 113.009 6.409 8.601 1.00 0.00 H new ATOM 0 HA ASP A 76 110.738 4.933 7.853 1.00 0.00 H new ATOM 0 HB2 ASP A 76 111.033 7.646 9.227 1.00 0.00 H new ATOM 0 HB3 ASP A 76 109.528 6.753 9.141 1.00 0.00 H new ATOM 1207 N HIS A 77 111.198 7.687 6.148 1.00 0.00 N ATOM 1208 CA HIS A 77 110.696 8.417 4.992 1.00 0.00 C ATOM 1209 C HIS A 77 111.846 8.887 4.117 1.00 0.00 C ATOM 1210 O HIS A 77 113.012 8.671 4.441 1.00 0.00 O ATOM 1211 CB HIS A 77 109.850 9.609 5.442 1.00 0.00 C ATOM 1212 CG HIS A 77 110.558 10.535 6.392 1.00 0.00 C ATOM 1213 ND1 HIS A 77 111.039 10.109 7.620 1.00 0.00 N ATOM 1214 CD2 HIS A 77 110.860 11.873 6.316 1.00 0.00 C ATOM 1215 CE1 HIS A 77 111.597 11.171 8.228 1.00 0.00 C ATOM 1216 NE2 HIS A 77 111.516 12.272 7.477 1.00 0.00 N ATOM 0 H HIS A 77 112.097 8.010 6.504 1.00 0.00 H new ATOM 0 HA HIS A 77 110.069 7.745 4.406 1.00 0.00 H new ATOM 0 HB2 HIS A 77 109.540 10.174 4.563 1.00 0.00 H new ATOM 0 HB3 HIS A 77 108.943 9.239 5.920 1.00 0.00 H new ATOM 0 HD2 HIS A 77 110.624 12.517 5.482 1.00 0.00 H new ATOM 0 HE1 HIS A 77 112.055 11.137 9.205 1.00 0.00 H new ATOM 0 HE2 HIS A 77 111.861 13.205 7.705 1.00 0.00 H new ATOM 1224 N GLY A 78 111.497 9.466 2.977 1.00 0.00 N ATOM 1225 CA GLY A 78 112.478 10.055 2.082 1.00 0.00 C ATOM 1226 C GLY A 78 111.766 10.815 0.970 1.00 0.00 C ATOM 1227 O GLY A 78 110.573 10.625 0.736 1.00 0.00 O ATOM 0 H GLY A 78 110.534 9.540 2.650 1.00 0.00 H new ATOM 0 HA2 GLY A 78 113.132 10.729 2.636 1.00 0.00 H new ATOM 0 HA3 GLY A 78 113.110 9.276 1.656 1.00 0.00 H new ATOM 1231 N THR A 79 112.494 11.696 0.301 1.00 0.00 N ATOM 1232 CA THR A 79 111.919 12.483 -0.783 1.00 0.00 C ATOM 1233 C THR A 79 112.446 11.990 -2.127 1.00 0.00 C ATOM 1234 O THR A 79 113.628 11.690 -2.263 1.00 0.00 O ATOM 1235 CB THR A 79 112.272 13.958 -0.596 1.00 0.00 C ATOM 1236 OG1 THR A 79 112.103 14.310 0.770 1.00 0.00 O ATOM 1237 CG2 THR A 79 111.330 14.801 -1.456 1.00 0.00 C ATOM 0 H THR A 79 113.479 11.885 0.487 1.00 0.00 H new ATOM 0 HA THR A 79 110.835 12.369 -0.766 1.00 0.00 H new ATOM 0 HB THR A 79 113.306 14.136 -0.892 1.00 0.00 H new ATOM 0 HG1 THR A 79 112.330 15.255 0.895 1.00 0.00 H new ATOM 0 HG21 THR A 79 111.571 15.857 -1.332 1.00 0.00 H new ATOM 0 HG22 THR A 79 111.447 14.523 -2.503 1.00 0.00 H new ATOM 0 HG23 THR A 79 110.300 14.625 -1.147 1.00 0.00 H new ATOM 1245 N ILE A 80 111.565 11.907 -3.118 1.00 0.00 N ATOM 1246 CA ILE A 80 111.949 11.428 -4.446 1.00 0.00 C ATOM 1247 C ILE A 80 111.946 12.585 -5.437 1.00 0.00 C ATOM 1248 O ILE A 80 111.005 13.379 -5.470 1.00 0.00 O ATOM 1249 CB ILE A 80 110.998 10.319 -4.920 1.00 0.00 C ATOM 1250 CG1 ILE A 80 109.530 10.757 -4.796 1.00 0.00 C ATOM 1251 CG2 ILE A 80 111.226 9.072 -4.063 1.00 0.00 C ATOM 1252 CD1 ILE A 80 108.636 9.821 -5.612 1.00 0.00 C ATOM 0 H ILE A 80 110.582 12.164 -3.030 1.00 0.00 H new ATOM 0 HA ILE A 80 112.955 11.013 -4.387 1.00 0.00 H new ATOM 0 HB ILE A 80 111.205 10.107 -5.969 1.00 0.00 H new ATOM 0 HG12 ILE A 80 109.225 10.745 -3.750 1.00 0.00 H new ATOM 0 HG13 ILE A 80 109.416 11.782 -5.149 1.00 0.00 H new ATOM 0 HG21 ILE A 80 110.556 8.278 -4.391 1.00 0.00 H new ATOM 0 HG22 ILE A 80 112.259 8.742 -4.169 1.00 0.00 H new ATOM 0 HG23 ILE A 80 111.026 9.307 -3.018 1.00 0.00 H new ATOM 0 HD11 ILE A 80 107.597 10.138 -5.519 1.00 0.00 H new ATOM 0 HD12 ILE A 80 108.934 9.855 -6.660 1.00 0.00 H new ATOM 0 HD13 ILE A 80 108.739 8.802 -5.239 1.00 0.00 H new ATOM 1264 N GLU A 81 113.011 12.691 -6.230 1.00 0.00 N ATOM 1265 CA GLU A 81 113.138 13.818 -7.145 1.00 0.00 C ATOM 1266 C GLU A 81 113.882 13.444 -8.423 1.00 0.00 C ATOM 1267 O GLU A 81 114.800 12.621 -8.414 1.00 0.00 O ATOM 1268 CB GLU A 81 113.872 14.964 -6.443 1.00 0.00 C ATOM 1269 CG GLU A 81 113.839 16.221 -7.321 1.00 0.00 C ATOM 1270 CD GLU A 81 114.630 17.376 -6.696 1.00 0.00 C ATOM 1271 OE1 GLU A 81 115.210 17.201 -5.634 1.00 0.00 O ATOM 1272 OE2 GLU A 81 114.643 18.437 -7.299 1.00 0.00 O ATOM 0 H GLU A 81 113.782 12.024 -6.257 1.00 0.00 H new ATOM 0 HA GLU A 81 112.132 14.127 -7.429 1.00 0.00 H new ATOM 0 HB2 GLU A 81 113.405 15.170 -5.480 1.00 0.00 H new ATOM 0 HB3 GLU A 81 114.904 14.677 -6.242 1.00 0.00 H new ATOM 0 HG2 GLU A 81 114.251 15.989 -8.303 1.00 0.00 H new ATOM 0 HG3 GLU A 81 112.805 16.530 -7.474 1.00 0.00 H new ATOM 1279 N CYS A 82 113.455 14.052 -9.524 1.00 0.00 N ATOM 1280 CA CYS A 82 114.213 13.993 -10.769 1.00 0.00 C ATOM 1281 C CYS A 82 114.950 15.317 -10.949 1.00 0.00 C ATOM 1282 O CYS A 82 114.325 16.372 -11.047 1.00 0.00 O ATOM 1283 CB CYS A 82 113.280 13.765 -11.962 1.00 0.00 C ATOM 1284 SG CYS A 82 112.227 12.325 -11.658 1.00 0.00 S ATOM 0 H CYS A 82 112.590 14.590 -9.580 1.00 0.00 H new ATOM 0 HA CYS A 82 114.919 13.164 -10.722 1.00 0.00 H new ATOM 0 HB2 CYS A 82 112.663 14.649 -12.126 1.00 0.00 H new ATOM 0 HB3 CYS A 82 113.866 13.613 -12.868 1.00 0.00 H new ATOM 1289 N LEU A 83 116.277 15.258 -10.994 1.00 0.00 N ATOM 1290 CA LEU A 83 117.078 16.479 -11.005 1.00 0.00 C ATOM 1291 C LEU A 83 117.290 16.999 -12.428 1.00 0.00 C ATOM 1292 O LEU A 83 117.187 16.231 -13.383 1.00 0.00 O ATOM 1293 CB LEU A 83 118.436 16.222 -10.347 1.00 0.00 C ATOM 1294 CG LEU A 83 118.228 15.833 -8.883 1.00 0.00 C ATOM 1295 CD1 LEU A 83 119.529 15.259 -8.316 1.00 0.00 C ATOM 1296 CD2 LEU A 83 117.829 17.073 -8.080 1.00 0.00 C ATOM 0 H LEU A 83 116.815 14.392 -11.023 1.00 0.00 H new ATOM 0 HA LEU A 83 116.533 17.237 -10.442 1.00 0.00 H new ATOM 0 HB2 LEU A 83 118.963 15.427 -10.874 1.00 0.00 H new ATOM 0 HB3 LEU A 83 119.058 17.114 -10.412 1.00 0.00 H new ATOM 0 HG LEU A 83 117.440 15.083 -8.815 1.00 0.00 H new ATOM 0 HD11 LEU A 83 119.380 14.982 -7.272 1.00 0.00 H new ATOM 0 HD12 LEU A 83 119.817 14.377 -8.888 1.00 0.00 H new ATOM 0 HD13 LEU A 83 120.317 16.009 -8.383 1.00 0.00 H new ATOM 0 HD21 LEU A 83 117.680 16.798 -7.036 1.00 0.00 H new ATOM 0 HD22 LEU A 83 118.619 17.821 -8.149 1.00 0.00 H new ATOM 0 HD23 LEU A 83 116.903 17.485 -8.482 1.00 0.00 H new ATOM 1308 N PRO A 84 117.592 18.272 -12.603 1.00 0.00 N ATOM 1309 CA PRO A 84 117.858 18.831 -13.967 1.00 0.00 C ATOM 1310 C PRO A 84 118.893 18.027 -14.761 1.00 0.00 C ATOM 1311 O PRO A 84 118.971 18.147 -15.983 1.00 0.00 O ATOM 1312 CB PRO A 84 118.372 20.248 -13.701 1.00 0.00 C ATOM 1313 CG PRO A 84 117.824 20.624 -12.368 1.00 0.00 C ATOM 1314 CD PRO A 84 117.705 19.326 -11.572 1.00 0.00 C ATOM 0 HA PRO A 84 116.957 18.801 -14.579 1.00 0.00 H new ATOM 0 HB2 PRO A 84 119.462 20.277 -13.700 1.00 0.00 H new ATOM 0 HB3 PRO A 84 118.035 20.939 -14.473 1.00 0.00 H new ATOM 0 HG2 PRO A 84 118.482 21.331 -11.863 1.00 0.00 H new ATOM 0 HG3 PRO A 84 116.853 21.108 -12.469 1.00 0.00 H new ATOM 0 HD2 PRO A 84 118.576 19.168 -10.936 1.00 0.00 H new ATOM 0 HD3 PRO A 84 116.832 19.339 -10.919 1.00 0.00 H new ATOM 1322 N SER A 85 119.684 17.208 -14.069 1.00 0.00 N ATOM 1323 CA SER A 85 120.715 16.405 -14.730 1.00 0.00 C ATOM 1324 C SER A 85 120.152 15.167 -15.447 1.00 0.00 C ATOM 1325 O SER A 85 120.922 14.364 -15.971 1.00 0.00 O ATOM 1326 CB SER A 85 121.752 15.959 -13.699 1.00 0.00 C ATOM 1327 OG SER A 85 121.223 14.880 -12.940 1.00 0.00 O ATOM 0 H SER A 85 119.633 17.082 -13.058 1.00 0.00 H new ATOM 0 HA SER A 85 121.168 17.039 -15.492 1.00 0.00 H new ATOM 0 HB2 SER A 85 122.670 15.652 -14.199 1.00 0.00 H new ATOM 0 HB3 SER A 85 122.009 16.790 -13.042 1.00 0.00 H new ATOM 0 HG SER A 85 120.255 14.995 -12.838 1.00 0.00 H new ATOM 1333 N ASP A 86 118.829 14.996 -15.446 1.00 0.00 N ATOM 1334 CA ASP A 86 118.190 13.862 -16.103 1.00 0.00 C ATOM 1335 C ASP A 86 118.620 12.550 -15.451 1.00 0.00 C ATOM 1336 O ASP A 86 118.960 11.583 -16.133 1.00 0.00 O ATOM 1337 CB ASP A 86 118.515 13.858 -17.603 1.00 0.00 C ATOM 1338 CG ASP A 86 117.995 15.133 -18.263 1.00 0.00 C ATOM 1339 OD1 ASP A 86 116.984 15.648 -17.814 1.00 0.00 O ATOM 1340 OD2 ASP A 86 118.620 15.577 -19.213 1.00 0.00 O ATOM 0 H ASP A 86 118.177 15.636 -14.992 1.00 0.00 H new ATOM 0 HA ASP A 86 117.111 13.959 -15.987 1.00 0.00 H new ATOM 0 HB2 ASP A 86 119.592 13.779 -17.748 1.00 0.00 H new ATOM 0 HB3 ASP A 86 118.065 12.986 -18.077 1.00 0.00 H new ATOM 1345 N ASN A 87 118.606 12.539 -14.120 1.00 0.00 N ATOM 1346 CA ASN A 87 118.858 11.323 -13.350 1.00 0.00 C ATOM 1347 C ASN A 87 117.831 11.208 -12.224 1.00 0.00 C ATOM 1348 O ASN A 87 117.412 12.218 -11.654 1.00 0.00 O ATOM 1349 CB ASN A 87 120.283 11.344 -12.780 1.00 0.00 C ATOM 1350 CG ASN A 87 120.457 12.481 -11.774 1.00 0.00 C ATOM 1351 OD1 ASN A 87 119.633 13.391 -11.708 1.00 0.00 O ATOM 1352 ND2 ASN A 87 121.493 12.478 -10.979 1.00 0.00 N ATOM 0 H ASN A 87 118.422 13.364 -13.549 1.00 0.00 H new ATOM 0 HA ASN A 87 118.764 10.456 -14.004 1.00 0.00 H new ATOM 0 HB2 ASN A 87 120.499 10.391 -12.297 1.00 0.00 H new ATOM 0 HB3 ASN A 87 121.001 11.460 -13.592 1.00 0.00 H new ATOM 0 HD21 ASN A 87 121.619 13.231 -10.303 1.00 0.00 H new ATOM 0 HD22 ASN A 87 122.176 11.723 -11.034 1.00 0.00 H new ATOM 1359 N ALA A 88 117.422 9.981 -11.915 1.00 0.00 N ATOM 1360 CA ALA A 88 116.429 9.756 -10.870 1.00 0.00 C ATOM 1361 C ALA A 88 117.100 9.307 -9.577 1.00 0.00 C ATOM 1362 O ALA A 88 117.750 8.258 -9.536 1.00 0.00 O ATOM 1363 CB ALA A 88 115.431 8.690 -11.326 1.00 0.00 C ATOM 0 H ALA A 88 117.760 9.133 -12.370 1.00 0.00 H new ATOM 0 HA ALA A 88 115.905 10.693 -10.684 1.00 0.00 H new ATOM 0 HB1 ALA A 88 114.691 8.525 -10.543 1.00 0.00 H new ATOM 0 HB2 ALA A 88 114.929 9.026 -12.234 1.00 0.00 H new ATOM 0 HB3 ALA A 88 115.960 7.759 -11.527 1.00 0.00 H new ATOM 1369 N VAL A 89 116.910 10.080 -8.507 1.00 0.00 N ATOM 1370 CA VAL A 89 117.559 9.777 -7.231 1.00 0.00 C ATOM 1371 C VAL A 89 116.583 9.870 -6.058 1.00 0.00 C ATOM 1372 O VAL A 89 115.548 10.535 -6.130 1.00 0.00 O ATOM 1373 CB VAL A 89 118.720 10.743 -6.986 1.00 0.00 C ATOM 1374 CG1 VAL A 89 119.780 10.565 -8.075 1.00 0.00 C ATOM 1375 CG2 VAL A 89 118.205 12.185 -7.009 1.00 0.00 C ATOM 0 H VAL A 89 116.319 10.911 -8.497 1.00 0.00 H new ATOM 0 HA VAL A 89 117.927 8.753 -7.294 1.00 0.00 H new ATOM 0 HB VAL A 89 119.162 10.530 -6.012 1.00 0.00 H new ATOM 0 HG11 VAL A 89 120.605 11.255 -7.896 1.00 0.00 H new ATOM 0 HG12 VAL A 89 120.153 9.541 -8.056 1.00 0.00 H new ATOM 0 HG13 VAL A 89 119.338 10.772 -9.050 1.00 0.00 H new ATOM 0 HG21 VAL A 89 119.034 12.870 -6.834 1.00 0.00 H new ATOM 0 HG22 VAL A 89 117.758 12.396 -7.981 1.00 0.00 H new ATOM 0 HG23 VAL A 89 117.455 12.316 -6.229 1.00 0.00 H new ATOM 1385 N PHE A 90 116.954 9.194 -4.976 1.00 0.00 N ATOM 1386 CA PHE A 90 116.184 9.181 -3.737 1.00 0.00 C ATOM 1387 C PHE A 90 116.976 9.868 -2.626 1.00 0.00 C ATOM 1388 O PHE A 90 118.136 9.543 -2.397 1.00 0.00 O ATOM 1389 CB PHE A 90 115.910 7.725 -3.352 1.00 0.00 C ATOM 1390 CG PHE A 90 115.219 7.536 -2.022 1.00 0.00 C ATOM 1391 CD1 PHE A 90 113.844 7.771 -1.899 1.00 0.00 C ATOM 1392 CD2 PHE A 90 115.957 7.107 -0.912 1.00 0.00 C ATOM 1393 CE1 PHE A 90 113.208 7.574 -0.666 1.00 0.00 C ATOM 1394 CE2 PHE A 90 115.323 6.911 0.319 1.00 0.00 C ATOM 1395 CZ PHE A 90 113.948 7.143 0.441 1.00 0.00 C ATOM 0 H PHE A 90 117.806 8.634 -4.934 1.00 0.00 H new ATOM 0 HA PHE A 90 115.244 9.715 -3.877 1.00 0.00 H new ATOM 0 HB2 PHE A 90 115.299 7.268 -4.130 1.00 0.00 H new ATOM 0 HB3 PHE A 90 116.857 7.186 -3.332 1.00 0.00 H new ATOM 0 HD1 PHE A 90 113.274 8.104 -2.754 1.00 0.00 H new ATOM 0 HD2 PHE A 90 117.018 6.927 -1.007 1.00 0.00 H new ATOM 0 HE1 PHE A 90 112.148 7.755 -0.570 1.00 0.00 H new ATOM 0 HE2 PHE A 90 115.894 6.581 1.175 1.00 0.00 H new ATOM 0 HZ PHE A 90 113.457 6.989 1.391 1.00 0.00 H new ATOM 1405 N VAL A 91 116.351 10.815 -1.935 1.00 0.00 N ATOM 1406 CA VAL A 91 117.013 11.528 -0.843 1.00 0.00 C ATOM 1407 C VAL A 91 116.417 11.094 0.493 1.00 0.00 C ATOM 1408 O VAL A 91 115.201 11.075 0.655 1.00 0.00 O ATOM 1409 CB VAL A 91 116.836 13.042 -1.037 1.00 0.00 C ATOM 1410 CG1 VAL A 91 117.486 13.828 0.115 1.00 0.00 C ATOM 1411 CG2 VAL A 91 117.477 13.445 -2.370 1.00 0.00 C ATOM 0 H VAL A 91 115.390 11.108 -2.109 1.00 0.00 H new ATOM 0 HA VAL A 91 118.077 11.291 -0.846 1.00 0.00 H new ATOM 0 HB VAL A 91 115.772 13.278 -1.043 1.00 0.00 H new ATOM 0 HG11 VAL A 91 117.345 14.896 -0.049 1.00 0.00 H new ATOM 0 HG12 VAL A 91 117.022 13.541 1.059 1.00 0.00 H new ATOM 0 HG13 VAL A 91 118.552 13.604 0.152 1.00 0.00 H new ATOM 0 HG21 VAL A 91 117.359 14.518 -2.521 1.00 0.00 H new ATOM 0 HG22 VAL A 91 118.538 13.196 -2.354 1.00 0.00 H new ATOM 0 HG23 VAL A 91 116.991 12.908 -3.185 1.00 0.00 H new ATOM 1421 N ALA A 92 117.279 10.767 1.451 1.00 0.00 N ATOM 1422 CA ALA A 92 116.806 10.374 2.778 1.00 0.00 C ATOM 1423 C ALA A 92 116.907 11.547 3.757 1.00 0.00 C ATOM 1424 O ALA A 92 117.725 12.441 3.550 1.00 0.00 O ATOM 1425 CB ALA A 92 117.637 9.200 3.299 1.00 0.00 C ATOM 0 H ALA A 92 118.293 10.765 1.339 1.00 0.00 H new ATOM 0 HA ALA A 92 115.761 10.074 2.697 1.00 0.00 H new ATOM 0 HB1 ALA A 92 117.280 8.912 4.288 1.00 0.00 H new ATOM 0 HB2 ALA A 92 117.540 8.355 2.618 1.00 0.00 H new ATOM 0 HB3 ALA A 92 118.684 9.496 3.363 1.00 0.00 H new ATOM 1431 N PRO A 93 116.114 11.575 4.810 1.00 0.00 N ATOM 1432 CA PRO A 93 116.183 12.685 5.811 1.00 0.00 C ATOM 1433 C PRO A 93 117.607 12.982 6.280 1.00 0.00 C ATOM 1434 O PRO A 93 117.908 14.099 6.701 1.00 0.00 O ATOM 1435 CB PRO A 93 115.328 12.200 6.984 1.00 0.00 C ATOM 1436 CG PRO A 93 114.392 11.189 6.417 1.00 0.00 C ATOM 1437 CD PRO A 93 115.057 10.606 5.171 1.00 0.00 C ATOM 0 HA PRO A 93 115.830 13.619 5.374 1.00 0.00 H new ATOM 0 HB2 PRO A 93 115.949 11.762 7.765 1.00 0.00 H new ATOM 0 HB3 PRO A 93 114.782 13.027 7.437 1.00 0.00 H new ATOM 0 HG2 PRO A 93 114.185 10.405 7.145 1.00 0.00 H new ATOM 0 HG3 PRO A 93 113.437 11.649 6.164 1.00 0.00 H new ATOM 0 HD2 PRO A 93 115.477 9.621 5.373 1.00 0.00 H new ATOM 0 HD3 PRO A 93 114.339 10.486 4.360 1.00 0.00 H new ATOM 1445 N ASP A 94 118.477 11.982 6.207 1.00 0.00 N ATOM 1446 CA ASP A 94 119.853 12.145 6.674 1.00 0.00 C ATOM 1447 C ASP A 94 120.647 13.163 5.843 1.00 0.00 C ATOM 1448 O ASP A 94 121.741 13.562 6.244 1.00 0.00 O ATOM 1449 CB ASP A 94 120.561 10.781 6.657 1.00 0.00 C ATOM 1450 CG ASP A 94 120.454 10.097 5.289 1.00 0.00 C ATOM 1451 OD1 ASP A 94 120.054 10.744 4.335 1.00 0.00 O ATOM 1452 OD2 ASP A 94 120.784 8.923 5.209 1.00 0.00 O ATOM 0 H ASP A 94 118.260 11.058 5.833 1.00 0.00 H new ATOM 0 HA ASP A 94 119.810 12.537 7.690 1.00 0.00 H new ATOM 0 HB2 ASP A 94 121.612 10.914 6.915 1.00 0.00 H new ATOM 0 HB3 ASP A 94 120.125 10.136 7.420 1.00 0.00 H new ATOM 1457 N GLY A 95 120.116 13.586 4.694 1.00 0.00 N ATOM 1458 CA GLY A 95 120.839 14.508 3.814 1.00 0.00 C ATOM 1459 C GLY A 95 121.733 13.783 2.795 1.00 0.00 C ATOM 1460 O GLY A 95 122.530 14.419 2.108 1.00 0.00 O ATOM 0 H GLY A 95 119.196 13.308 4.353 1.00 0.00 H new ATOM 0 HA2 GLY A 95 120.121 15.132 3.281 1.00 0.00 H new ATOM 0 HA3 GLY A 95 121.453 15.174 4.420 1.00 0.00 H new ATOM 1464 N THR A 96 121.603 12.459 2.699 1.00 0.00 N ATOM 1465 CA THR A 96 122.392 11.665 1.775 1.00 0.00 C ATOM 1466 C THR A 96 121.562 11.367 0.537 1.00 0.00 C ATOM 1467 O THR A 96 120.371 11.071 0.643 1.00 0.00 O ATOM 1468 CB THR A 96 122.788 10.348 2.449 1.00 0.00 C ATOM 1469 OG1 THR A 96 123.482 10.626 3.657 1.00 0.00 O ATOM 1470 CG2 THR A 96 123.685 9.526 1.520 1.00 0.00 C ATOM 0 H THR A 96 120.948 11.915 3.261 1.00 0.00 H new ATOM 0 HA THR A 96 123.290 12.215 1.492 1.00 0.00 H new ATOM 0 HB THR A 96 121.887 9.775 2.666 1.00 0.00 H new ATOM 0 HG1 THR A 96 123.735 9.784 4.090 1.00 0.00 H new ATOM 0 HG21 THR A 96 123.959 8.592 2.011 1.00 0.00 H new ATOM 0 HG22 THR A 96 123.149 9.306 0.597 1.00 0.00 H new ATOM 0 HG23 THR A 96 124.587 10.093 1.289 1.00 0.00 H new ATOM 1478 N THR A 97 122.186 11.452 -0.631 1.00 0.00 N ATOM 1479 CA THR A 97 121.489 11.152 -1.873 1.00 0.00 C ATOM 1480 C THR A 97 121.894 9.773 -2.380 1.00 0.00 C ATOM 1481 O THR A 97 123.078 9.456 -2.490 1.00 0.00 O ATOM 1482 CB THR A 97 121.821 12.207 -2.930 1.00 0.00 C ATOM 1483 OG1 THR A 97 121.537 13.499 -2.410 1.00 0.00 O ATOM 1484 CG2 THR A 97 120.977 11.964 -4.182 1.00 0.00 C ATOM 0 H THR A 97 123.163 11.723 -0.743 1.00 0.00 H new ATOM 0 HA THR A 97 120.416 11.162 -1.683 1.00 0.00 H new ATOM 0 HB THR A 97 122.878 12.141 -3.190 1.00 0.00 H new ATOM 0 HG1 THR A 97 121.750 14.177 -3.084 1.00 0.00 H new ATOM 0 HG21 THR A 97 121.215 12.717 -4.933 1.00 0.00 H new ATOM 0 HG22 THR A 97 121.194 10.973 -4.580 1.00 0.00 H new ATOM 0 HG23 THR A 97 119.919 12.029 -3.926 1.00 0.00 H new ATOM 1492 N TYR A 98 120.889 8.965 -2.685 1.00 0.00 N ATOM 1493 CA TYR A 98 121.101 7.625 -3.211 1.00 0.00 C ATOM 1494 C TYR A 98 120.577 7.564 -4.642 1.00 0.00 C ATOM 1495 O TYR A 98 119.619 8.253 -4.979 1.00 0.00 O ATOM 1496 CB TYR A 98 120.348 6.606 -2.351 1.00 0.00 C ATOM 1497 CG TYR A 98 120.743 6.607 -0.889 1.00 0.00 C ATOM 1498 CD1 TYR A 98 121.786 5.787 -0.441 1.00 0.00 C ATOM 1499 CD2 TYR A 98 120.057 7.420 0.022 1.00 0.00 C ATOM 1500 CE1 TYR A 98 122.143 5.781 0.914 1.00 0.00 C ATOM 1501 CE2 TYR A 98 120.415 7.416 1.376 1.00 0.00 C ATOM 1502 CZ TYR A 98 121.457 6.597 1.824 1.00 0.00 C ATOM 1503 OH TYR A 98 121.809 6.592 3.160 1.00 0.00 O ATOM 0 H TYR A 98 119.907 9.219 -2.575 1.00 0.00 H new ATOM 0 HA TYR A 98 122.165 7.391 -3.195 1.00 0.00 H new ATOM 0 HB2 TYR A 98 119.279 6.805 -2.426 1.00 0.00 H new ATOM 0 HB3 TYR A 98 120.516 5.609 -2.759 1.00 0.00 H new ATOM 0 HD1 TYR A 98 122.316 5.158 -1.141 1.00 0.00 H new ATOM 0 HD2 TYR A 98 119.250 8.051 -0.320 1.00 0.00 H new ATOM 0 HE1 TYR A 98 122.947 5.147 1.257 1.00 0.00 H new ATOM 0 HE2 TYR A 98 119.886 8.046 2.075 1.00 0.00 H new ATOM 0 HH TYR A 98 121.422 7.375 3.603 1.00 0.00 H new ATOM 1513 N ALA A 99 121.195 6.738 -5.475 1.00 0.00 N ATOM 1514 CA ALA A 99 120.777 6.619 -6.868 1.00 0.00 C ATOM 1515 C ALA A 99 119.669 5.579 -7.004 1.00 0.00 C ATOM 1516 O ALA A 99 119.822 4.435 -6.574 1.00 0.00 O ATOM 1517 CB ALA A 99 121.975 6.219 -7.731 1.00 0.00 C ATOM 0 H ALA A 99 121.982 6.144 -5.215 1.00 0.00 H new ATOM 0 HA ALA A 99 120.393 7.582 -7.205 1.00 0.00 H new ATOM 0 HB1 ALA A 99 121.661 6.131 -8.771 1.00 0.00 H new ATOM 0 HB2 ALA A 99 122.752 6.979 -7.650 1.00 0.00 H new ATOM 0 HB3 ALA A 99 122.367 5.262 -7.388 1.00 0.00 H new ATOM 1523 N LEU A 100 118.554 5.983 -7.606 1.00 0.00 N ATOM 1524 CA LEU A 100 117.427 5.079 -7.789 1.00 0.00 C ATOM 1525 C LEU A 100 117.632 4.219 -9.026 1.00 0.00 C ATOM 1526 O LEU A 100 117.522 2.994 -8.973 1.00 0.00 O ATOM 1527 CB LEU A 100 116.130 5.871 -7.957 1.00 0.00 C ATOM 1528 CG LEU A 100 115.619 6.344 -6.598 1.00 0.00 C ATOM 1529 CD1 LEU A 100 114.624 7.485 -6.814 1.00 0.00 C ATOM 1530 CD2 LEU A 100 114.911 5.183 -5.898 1.00 0.00 C ATOM 0 H LEU A 100 118.409 6.924 -7.972 1.00 0.00 H new ATOM 0 HA LEU A 100 117.360 4.444 -6.905 1.00 0.00 H new ATOM 0 HB2 LEU A 100 116.301 6.729 -8.608 1.00 0.00 H new ATOM 0 HB3 LEU A 100 115.376 5.250 -8.441 1.00 0.00 H new ATOM 0 HG LEU A 100 116.452 6.689 -5.985 1.00 0.00 H new ATOM 0 HD11 LEU A 100 114.252 7.831 -5.850 1.00 0.00 H new ATOM 0 HD12 LEU A 100 115.120 8.308 -7.328 1.00 0.00 H new ATOM 0 HD13 LEU A 100 113.789 7.130 -7.419 1.00 0.00 H new ATOM 0 HD21 LEU A 100 114.543 5.514 -4.927 1.00 0.00 H new ATOM 0 HD22 LEU A 100 114.073 4.847 -6.508 1.00 0.00 H new ATOM 0 HD23 LEU A 100 115.612 4.360 -5.760 1.00 0.00 H new ATOM 1542 N ASN A 101 117.932 4.876 -10.145 1.00 0.00 N ATOM 1543 CA ASN A 101 118.063 4.172 -11.424 1.00 0.00 C ATOM 1544 C ASN A 101 119.502 4.178 -11.936 1.00 0.00 C ATOM 1545 O ASN A 101 120.363 4.903 -11.436 1.00 0.00 O ATOM 1546 CB ASN A 101 117.125 4.796 -12.464 1.00 0.00 C ATOM 1547 CG ASN A 101 117.536 6.226 -12.803 1.00 0.00 C ATOM 1548 OD1 ASN A 101 118.563 6.716 -12.339 1.00 0.00 O ATOM 1549 ND2 ASN A 101 116.782 6.934 -13.599 1.00 0.00 N ATOM 0 H ASN A 101 118.088 5.883 -10.195 1.00 0.00 H new ATOM 0 HA ASN A 101 117.782 3.132 -11.259 1.00 0.00 H new ATOM 0 HB2 ASN A 101 117.131 4.190 -13.370 1.00 0.00 H new ATOM 0 HB3 ASN A 101 116.104 4.791 -12.084 1.00 0.00 H new ATOM 0 HD21 ASN A 101 117.046 7.891 -13.834 1.00 0.00 H new ATOM 0 HD22 ASN A 101 115.929 6.530 -13.986 1.00 0.00 H new ATOM 1556 N ASP A 102 119.751 3.351 -12.945 1.00 0.00 N ATOM 1557 CA ASP A 102 121.096 3.187 -13.490 1.00 0.00 C ATOM 1558 C ASP A 102 121.726 4.528 -13.856 1.00 0.00 C ATOM 1559 O ASP A 102 122.936 4.704 -13.735 1.00 0.00 O ATOM 1560 CB ASP A 102 121.045 2.296 -14.734 1.00 0.00 C ATOM 1561 CG ASP A 102 120.605 0.879 -14.368 1.00 0.00 C ATOM 1562 OD1 ASP A 102 120.863 0.459 -13.251 1.00 0.00 O ATOM 1563 OD2 ASP A 102 120.013 0.232 -15.216 1.00 0.00 O ATOM 0 H ASP A 102 119.039 2.782 -13.404 1.00 0.00 H new ATOM 0 HA ASP A 102 121.711 2.723 -12.719 1.00 0.00 H new ATOM 0 HB2 ASP A 102 120.354 2.720 -15.462 1.00 0.00 H new ATOM 0 HB3 ASP A 102 122.027 2.266 -15.206 1.00 0.00 H new ATOM 1568 N ARG A 103 120.911 5.472 -14.310 1.00 0.00 N ATOM 1569 CA ARG A 103 121.424 6.765 -14.746 1.00 0.00 C ATOM 1570 C ARG A 103 122.110 7.489 -13.589 1.00 0.00 C ATOM 1571 O ARG A 103 123.236 7.972 -13.716 1.00 0.00 O ATOM 1572 CB ARG A 103 120.259 7.590 -15.288 1.00 0.00 C ATOM 1573 CG ARG A 103 119.691 6.881 -16.521 1.00 0.00 C ATOM 1574 CD ARG A 103 118.457 7.628 -17.023 1.00 0.00 C ATOM 1575 NE ARG A 103 118.841 8.952 -17.508 1.00 0.00 N ATOM 1576 CZ ARG A 103 119.242 9.201 -18.759 1.00 0.00 C ATOM 1577 NH1 ARG A 103 119.303 8.268 -19.678 1.00 0.00 N ATOM 1578 NH2 ARG A 103 119.580 10.423 -19.058 1.00 0.00 N ATOM 0 H ARG A 103 119.899 5.368 -14.386 1.00 0.00 H new ATOM 0 HA ARG A 103 122.168 6.623 -15.530 1.00 0.00 H new ATOM 0 HB2 ARG A 103 119.487 7.701 -14.526 1.00 0.00 H new ATOM 0 HB3 ARG A 103 120.595 8.593 -15.550 1.00 0.00 H new ATOM 0 HG2 ARG A 103 120.445 6.837 -17.306 1.00 0.00 H new ATOM 0 HG3 ARG A 103 119.429 5.853 -16.272 1.00 0.00 H new ATOM 0 HD2 ARG A 103 117.979 7.062 -17.823 1.00 0.00 H new ATOM 0 HD3 ARG A 103 117.727 7.723 -16.219 1.00 0.00 H new ATOM 0 HE ARG A 103 118.801 9.733 -16.853 1.00 0.00 H new ATOM 0 HH11 ARG A 103 119.039 7.310 -19.450 1.00 0.00 H new ATOM 0 HH12 ARG A 103 119.615 8.501 -20.621 1.00 0.00 H new ATOM 0 HH21 ARG A 103 119.534 11.153 -18.347 1.00 0.00 H new ATOM 0 HH22 ARG A 103 119.891 10.650 -20.003 1.00 0.00 H new ATOM 1592 N ALA A 104 121.445 7.523 -12.441 1.00 0.00 N ATOM 1593 CA ALA A 104 122.031 8.121 -11.244 1.00 0.00 C ATOM 1594 C ALA A 104 123.315 7.398 -10.829 1.00 0.00 C ATOM 1595 O ALA A 104 124.240 8.017 -10.294 1.00 0.00 O ATOM 1596 CB ALA A 104 121.020 8.075 -10.097 1.00 0.00 C ATOM 0 H ALA A 104 120.506 7.147 -12.312 1.00 0.00 H new ATOM 0 HA ALA A 104 122.285 9.156 -11.473 1.00 0.00 H new ATOM 0 HB1 ALA A 104 121.460 8.522 -9.206 1.00 0.00 H new ATOM 0 HB2 ALA A 104 120.126 8.631 -10.378 1.00 0.00 H new ATOM 0 HB3 ALA A 104 120.753 7.039 -9.889 1.00 0.00 H new ATOM 1602 N GLU A 105 123.363 6.083 -11.042 1.00 0.00 N ATOM 1603 CA GLU A 105 124.580 5.326 -10.753 1.00 0.00 C ATOM 1604 C GLU A 105 125.727 5.820 -11.631 1.00 0.00 C ATOM 1605 O GLU A 105 126.851 5.988 -11.162 1.00 0.00 O ATOM 1606 CB GLU A 105 124.356 3.830 -10.989 1.00 0.00 C ATOM 1607 CG GLU A 105 123.276 3.309 -10.036 1.00 0.00 C ATOM 1608 CD GLU A 105 123.701 3.451 -8.573 1.00 0.00 C ATOM 1609 OE1 GLU A 105 124.881 3.627 -8.312 1.00 0.00 O ATOM 1610 OE2 GLU A 105 122.828 3.378 -7.724 1.00 0.00 O ATOM 0 H GLU A 105 122.589 5.528 -11.407 1.00 0.00 H new ATOM 0 HA GLU A 105 124.837 5.480 -9.705 1.00 0.00 H new ATOM 0 HB2 GLU A 105 124.056 3.657 -12.022 1.00 0.00 H new ATOM 0 HB3 GLU A 105 125.286 3.285 -10.831 1.00 0.00 H new ATOM 0 HG2 GLU A 105 122.349 3.857 -10.201 1.00 0.00 H new ATOM 0 HG3 GLU A 105 123.070 2.261 -10.256 1.00 0.00 H new ATOM 1617 N LYS A 106 125.432 6.090 -12.899 1.00 0.00 N ATOM 1618 CA LYS A 106 126.429 6.667 -13.803 1.00 0.00 C ATOM 1619 C LYS A 106 126.938 8.012 -13.275 1.00 0.00 C ATOM 1620 O LYS A 106 128.105 8.358 -13.461 1.00 0.00 O ATOM 1621 CB LYS A 106 125.813 6.856 -15.193 1.00 0.00 C ATOM 1622 CG LYS A 106 126.879 7.332 -16.186 1.00 0.00 C ATOM 1623 CD LYS A 106 127.803 6.169 -16.555 1.00 0.00 C ATOM 1624 CE LYS A 106 128.806 6.631 -17.613 1.00 0.00 C ATOM 1625 NZ LYS A 106 129.870 5.600 -17.772 1.00 0.00 N ATOM 0 H LYS A 106 124.520 5.921 -13.324 1.00 0.00 H new ATOM 0 HA LYS A 106 127.275 5.983 -13.865 1.00 0.00 H new ATOM 0 HB2 LYS A 106 125.379 5.917 -15.537 1.00 0.00 H new ATOM 0 HB3 LYS A 106 125.002 7.583 -15.143 1.00 0.00 H new ATOM 0 HG2 LYS A 106 126.402 7.728 -17.083 1.00 0.00 H new ATOM 0 HG3 LYS A 106 127.459 8.144 -15.748 1.00 0.00 H new ATOM 0 HD2 LYS A 106 128.330 5.814 -15.669 1.00 0.00 H new ATOM 0 HD3 LYS A 106 127.218 5.332 -16.935 1.00 0.00 H new ATOM 0 HE2 LYS A 106 128.299 6.795 -18.564 1.00 0.00 H new ATOM 0 HE3 LYS A 106 129.248 7.583 -17.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 130.552 5.914 -18.491 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 130.361 5.465 -16.865 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 129.441 4.701 -18.071 1.00 0.00 H new ATOM 1639 N ALA A 107 126.057 8.765 -12.619 1.00 0.00 N ATOM 1640 CA ALA A 107 126.429 10.043 -12.008 1.00 0.00 C ATOM 1641 C ALA A 107 127.359 9.882 -10.794 1.00 0.00 C ATOM 1642 O ALA A 107 127.800 10.878 -10.221 1.00 0.00 O ATOM 1643 CB ALA A 107 125.165 10.789 -11.575 1.00 0.00 C ATOM 0 H ALA A 107 125.077 8.512 -12.496 1.00 0.00 H new ATOM 0 HA ALA A 107 126.976 10.607 -12.763 1.00 0.00 H new ATOM 0 HB1 ALA A 107 125.442 11.740 -11.120 1.00 0.00 H new ATOM 0 HB2 ALA A 107 124.535 10.973 -12.445 1.00 0.00 H new ATOM 0 HB3 ALA A 107 124.617 10.186 -10.851 1.00 0.00 H new ATOM 1649 N GLY A 108 127.658 8.645 -10.400 1.00 0.00 N ATOM 1650 CA GLY A 108 128.559 8.395 -9.280 1.00 0.00 C ATOM 1651 C GLY A 108 127.891 8.572 -7.918 1.00 0.00 C ATOM 1652 O GLY A 108 128.573 8.824 -6.924 1.00 0.00 O ATOM 0 H GLY A 108 127.289 7.802 -10.840 1.00 0.00 H new ATOM 0 HA2 GLY A 108 128.950 7.380 -9.356 1.00 0.00 H new ATOM 0 HA3 GLY A 108 129.411 9.071 -9.350 1.00 0.00 H new ATOM 1656 N HIS A 109 126.564 8.445 -7.864 1.00 0.00 N ATOM 1657 CA HIS A 109 125.866 8.466 -6.582 1.00 0.00 C ATOM 1658 C HIS A 109 125.767 7.040 -6.027 1.00 0.00 C ATOM 1659 O HIS A 109 125.582 6.105 -6.809 1.00 0.00 O ATOM 1660 CB HIS A 109 124.463 9.049 -6.759 1.00 0.00 C ATOM 1661 CG HIS A 109 124.437 10.553 -6.783 1.00 0.00 C ATOM 1662 ND1 HIS A 109 124.708 11.314 -5.658 1.00 0.00 N ATOM 1663 CD2 HIS A 109 124.176 11.450 -7.789 1.00 0.00 C ATOM 1664 CE1 HIS A 109 124.605 12.609 -6.008 1.00 0.00 C ATOM 1665 NE2 HIS A 109 124.282 12.749 -7.297 1.00 0.00 N ATOM 0 H HIS A 109 125.962 8.329 -8.679 1.00 0.00 H new ATOM 0 HA HIS A 109 126.423 9.089 -5.883 1.00 0.00 H new ATOM 0 HB2 HIS A 109 124.036 8.671 -7.688 1.00 0.00 H new ATOM 0 HB3 HIS A 109 123.826 8.695 -5.948 1.00 0.00 H new ATOM 0 HD2 HIS A 109 123.927 11.188 -8.807 1.00 0.00 H new ATOM 0 HE1 HIS A 109 124.764 13.434 -5.330 1.00 0.00 H new ATOM 0 HE2 HIS A 109 124.143 13.619 -7.810 1.00 0.00 H new ATOM 1673 N PRO A 110 125.879 6.835 -4.729 1.00 0.00 N ATOM 1674 CA PRO A 110 125.805 5.457 -4.152 1.00 0.00 C ATOM 1675 C PRO A 110 124.373 4.920 -4.180 1.00 0.00 C ATOM 1676 O PRO A 110 123.436 5.711 -4.110 1.00 0.00 O ATOM 1677 CB PRO A 110 126.298 5.627 -2.714 1.00 0.00 C ATOM 1678 CG PRO A 110 125.984 7.040 -2.360 1.00 0.00 C ATOM 1679 CD PRO A 110 126.042 7.842 -3.660 1.00 0.00 C ATOM 0 HA PRO A 110 126.400 4.739 -4.717 1.00 0.00 H new ATOM 0 HB2 PRO A 110 125.797 4.931 -2.041 1.00 0.00 H new ATOM 0 HB3 PRO A 110 127.367 5.430 -2.638 1.00 0.00 H new ATOM 0 HG2 PRO A 110 124.997 7.114 -1.903 1.00 0.00 H new ATOM 0 HG3 PRO A 110 126.701 7.426 -1.635 1.00 0.00 H new ATOM 0 HD2 PRO A 110 125.252 8.592 -3.698 1.00 0.00 H new ATOM 0 HD3 PRO A 110 126.989 8.372 -3.756 1.00 0.00 H new ATOM 1687 N PRO A 111 124.167 3.625 -4.290 1.00 0.00 N ATOM 1688 CA PRO A 111 122.784 3.061 -4.378 1.00 0.00 C ATOM 1689 C PRO A 111 122.083 2.999 -3.022 1.00 0.00 C ATOM 1690 O PRO A 111 122.731 3.014 -1.976 1.00 0.00 O ATOM 1691 CB PRO A 111 122.994 1.662 -4.958 1.00 0.00 C ATOM 1692 CG PRO A 111 124.377 1.264 -4.568 1.00 0.00 C ATOM 1693 CD PRO A 111 125.178 2.549 -4.348 1.00 0.00 C ATOM 0 HA PRO A 111 122.133 3.686 -4.990 1.00 0.00 H new ATOM 0 HB2 PRO A 111 122.259 0.961 -4.563 1.00 0.00 H new ATOM 0 HB3 PRO A 111 122.879 1.667 -6.042 1.00 0.00 H new ATOM 0 HG2 PRO A 111 124.361 0.661 -3.660 1.00 0.00 H new ATOM 0 HG3 PRO A 111 124.835 0.655 -5.347 1.00 0.00 H new ATOM 0 HD2 PRO A 111 125.756 2.501 -3.425 1.00 0.00 H new ATOM 0 HD3 PRO A 111 125.886 2.716 -5.159 1.00 0.00 H new ATOM 1701 N ILE A 112 120.753 2.933 -3.051 1.00 0.00 N ATOM 1702 CA ILE A 112 119.963 2.857 -1.819 1.00 0.00 C ATOM 1703 C ILE A 112 120.311 1.613 -0.982 1.00 0.00 C ATOM 1704 O ILE A 112 119.973 1.576 0.198 1.00 0.00 O ATOM 1705 CB ILE A 112 118.456 2.888 -2.159 1.00 0.00 C ATOM 1706 CG1 ILE A 112 118.133 4.220 -2.844 1.00 0.00 C ATOM 1707 CG2 ILE A 112 117.598 2.768 -0.888 1.00 0.00 C ATOM 1708 CD1 ILE A 112 116.682 4.238 -3.338 1.00 0.00 C ATOM 0 H ILE A 112 120.200 2.930 -3.908 1.00 0.00 H new ATOM 0 HA ILE A 112 120.211 3.726 -1.209 1.00 0.00 H new ATOM 0 HB ILE A 112 118.230 2.046 -2.813 1.00 0.00 H new ATOM 0 HG12 ILE A 112 118.295 5.042 -2.147 1.00 0.00 H new ATOM 0 HG13 ILE A 112 118.810 4.376 -3.684 1.00 0.00 H new ATOM 0 HG21 ILE A 112 116.542 2.793 -1.158 1.00 0.00 H new ATOM 0 HG22 ILE A 112 117.822 1.827 -0.385 1.00 0.00 H new ATOM 0 HG23 ILE A 112 117.821 3.599 -0.219 1.00 0.00 H new ATOM 0 HD11 ILE A 112 116.474 5.193 -3.821 1.00 0.00 H new ATOM 0 HD12 ILE A 112 116.531 3.429 -4.053 1.00 0.00 H new ATOM 0 HD13 ILE A 112 116.008 4.105 -2.492 1.00 0.00 H new ATOM 1720 N THR A 113 121.024 0.637 -1.554 1.00 0.00 N ATOM 1721 CA THR A 113 121.214 -0.662 -0.904 1.00 0.00 C ATOM 1722 C THR A 113 121.528 -0.620 0.603 1.00 0.00 C ATOM 1723 O THR A 113 120.934 -1.419 1.331 1.00 0.00 O ATOM 1724 CB THR A 113 122.229 -1.528 -1.675 1.00 0.00 C ATOM 1725 OG1 THR A 113 122.016 -2.891 -1.340 1.00 0.00 O ATOM 1726 CG2 THR A 113 123.687 -1.167 -1.363 1.00 0.00 C ATOM 0 H THR A 113 121.478 0.722 -2.464 1.00 0.00 H new ATOM 0 HA THR A 113 120.232 -1.134 -0.950 1.00 0.00 H new ATOM 0 HB THR A 113 122.069 -1.344 -2.737 1.00 0.00 H new ATOM 0 HG1 THR A 113 122.656 -3.451 -1.827 1.00 0.00 H new ATOM 0 HG21 THR A 113 124.352 -1.812 -1.937 1.00 0.00 H new ATOM 0 HG22 THR A 113 123.870 -0.127 -1.632 1.00 0.00 H new ATOM 0 HG23 THR A 113 123.876 -1.306 -0.299 1.00 0.00 H new ATOM 1734 N PRO A 114 122.358 0.271 1.123 1.00 0.00 N ATOM 1735 CA PRO A 114 122.761 0.195 2.566 1.00 0.00 C ATOM 1736 C PRO A 114 121.573 0.342 3.518 1.00 0.00 C ATOM 1737 O PRO A 114 121.602 -0.171 4.637 1.00 0.00 O ATOM 1738 CB PRO A 114 123.769 1.338 2.758 1.00 0.00 C ATOM 1739 CG PRO A 114 124.167 1.756 1.386 1.00 0.00 C ATOM 1740 CD PRO A 114 122.958 1.466 0.501 1.00 0.00 C ATOM 0 HA PRO A 114 123.187 -0.780 2.801 1.00 0.00 H new ATOM 0 HB2 PRO A 114 123.322 2.167 3.306 1.00 0.00 H new ATOM 0 HB3 PRO A 114 124.634 1.006 3.333 1.00 0.00 H new ATOM 0 HG2 PRO A 114 124.428 2.814 1.359 1.00 0.00 H new ATOM 0 HG3 PRO A 114 125.043 1.203 1.046 1.00 0.00 H new ATOM 0 HD2 PRO A 114 122.261 2.304 0.486 1.00 0.00 H new ATOM 0 HD3 PRO A 114 123.252 1.277 -0.531 1.00 0.00 H new ATOM 1748 N ILE A 115 120.530 1.042 3.075 1.00 0.00 N ATOM 1749 CA ILE A 115 119.349 1.274 3.915 1.00 0.00 C ATOM 1750 C ILE A 115 118.192 0.314 3.615 1.00 0.00 C ATOM 1751 O ILE A 115 117.111 0.494 4.171 1.00 0.00 O ATOM 1752 CB ILE A 115 118.836 2.722 3.802 1.00 0.00 C ATOM 1753 CG1 ILE A 115 118.801 3.202 2.340 1.00 0.00 C ATOM 1754 CG2 ILE A 115 119.723 3.647 4.639 1.00 0.00 C ATOM 1755 CD1 ILE A 115 118.019 4.517 2.230 1.00 0.00 C ATOM 0 H ILE A 115 120.475 1.458 2.145 1.00 0.00 H new ATOM 0 HA ILE A 115 119.691 1.086 4.933 1.00 0.00 H new ATOM 0 HB ILE A 115 117.814 2.749 4.181 1.00 0.00 H new ATOM 0 HG12 ILE A 115 119.817 3.343 1.972 1.00 0.00 H new ATOM 0 HG13 ILE A 115 118.337 2.442 1.711 1.00 0.00 H new ATOM 0 HG21 ILE A 115 119.359 4.671 4.558 1.00 0.00 H new ATOM 0 HG22 ILE A 115 119.694 3.333 5.682 1.00 0.00 H new ATOM 0 HG23 ILE A 115 120.749 3.597 4.273 1.00 0.00 H new ATOM 0 HD11 ILE A 115 118.002 4.845 1.191 1.00 0.00 H new ATOM 0 HD12 ILE A 115 116.998 4.363 2.578 1.00 0.00 H new ATOM 0 HD13 ILE A 115 118.500 5.279 2.843 1.00 0.00 H new ATOM 1767 N ARG A 116 118.393 -0.691 2.758 1.00 0.00 N ATOM 1768 CA ARG A 116 117.326 -1.648 2.467 1.00 0.00 C ATOM 1769 C ARG A 116 117.153 -2.634 3.618 1.00 0.00 C ATOM 1770 O ARG A 116 118.127 -3.045 4.249 1.00 0.00 O ATOM 1771 CB ARG A 116 117.621 -2.432 1.186 1.00 0.00 C ATOM 1772 CG ARG A 116 117.632 -1.491 -0.019 1.00 0.00 C ATOM 1773 CD ARG A 116 117.742 -2.308 -1.310 1.00 0.00 C ATOM 1774 NE ARG A 116 118.923 -3.178 -1.279 1.00 0.00 N ATOM 1775 CZ ARG A 116 119.179 -4.110 -2.211 1.00 0.00 C ATOM 1776 NH1 ARG A 116 118.381 -4.319 -3.230 1.00 0.00 N ATOM 1777 NH2 ARG A 116 120.260 -4.833 -2.098 1.00 0.00 N ATOM 0 H ARG A 116 119.268 -0.860 2.262 1.00 0.00 H new ATOM 0 HA ARG A 116 116.408 -1.076 2.335 1.00 0.00 H new ATOM 0 HB2 ARG A 116 118.584 -2.935 1.273 1.00 0.00 H new ATOM 0 HB3 ARG A 116 116.868 -3.207 1.044 1.00 0.00 H new ATOM 0 HG2 ARG A 116 116.722 -0.891 -0.033 1.00 0.00 H new ATOM 0 HG3 ARG A 116 118.469 -0.797 0.056 1.00 0.00 H new ATOM 0 HD2 ARG A 116 116.844 -2.912 -1.441 1.00 0.00 H new ATOM 0 HD3 ARG A 116 117.802 -1.636 -2.166 1.00 0.00 H new ATOM 0 HE ARG A 116 119.584 -3.069 -0.510 1.00 0.00 H new ATOM 0 HH11 ARG A 116 117.532 -3.764 -3.335 1.00 0.00 H new ATOM 0 HH12 ARG A 116 118.610 -5.037 -3.918 1.00 0.00 H new ATOM 0 HH21 ARG A 116 120.893 -4.685 -1.312 1.00 0.00 H new ATOM 0 HH22 ARG A 116 120.472 -5.546 -2.796 1.00 0.00 H new ATOM 1791 N ALA A 117 115.906 -3.008 3.880 1.00 0.00 N ATOM 1792 CA ALA A 117 115.604 -3.995 4.909 1.00 0.00 C ATOM 1793 C ALA A 117 115.847 -5.408 4.392 1.00 0.00 C ATOM 1794 O ALA A 117 115.708 -5.673 3.197 1.00 0.00 O ATOM 1795 CB ALA A 117 114.137 -3.873 5.318 1.00 0.00 C ATOM 0 H ALA A 117 115.087 -2.642 3.394 1.00 0.00 H new ATOM 0 HA ALA A 117 116.256 -3.808 5.763 1.00 0.00 H new ATOM 0 HB1 ALA A 117 113.911 -4.611 6.088 1.00 0.00 H new ATOM 0 HB2 ALA A 117 113.950 -2.873 5.709 1.00 0.00 H new ATOM 0 HB3 ALA A 117 113.501 -4.048 4.450 1.00 0.00 H new ATOM 1801 N LYS A 118 116.193 -6.314 5.299 1.00 0.00 N ATOM 1802 CA LYS A 118 116.356 -7.714 4.928 1.00 0.00 C ATOM 1803 C LYS A 118 114.997 -8.403 4.876 1.00 0.00 C ATOM 1804 O LYS A 118 114.134 -8.164 5.721 1.00 0.00 O ATOM 1805 CB LYS A 118 117.255 -8.425 5.943 1.00 0.00 C ATOM 1806 CG LYS A 118 117.715 -9.765 5.365 1.00 0.00 C ATOM 1807 CD LYS A 118 118.227 -10.662 6.495 1.00 0.00 C ATOM 1808 CE LYS A 118 119.558 -10.119 7.017 1.00 0.00 C ATOM 1809 NZ LYS A 118 119.300 -9.032 8.003 1.00 0.00 N ATOM 0 H LYS A 118 116.364 -6.109 6.283 1.00 0.00 H new ATOM 0 HA LYS A 118 116.820 -7.763 3.943 1.00 0.00 H new ATOM 0 HB2 LYS A 118 118.118 -7.803 6.179 1.00 0.00 H new ATOM 0 HB3 LYS A 118 116.713 -8.585 6.875 1.00 0.00 H new ATOM 0 HG2 LYS A 118 116.889 -10.252 4.846 1.00 0.00 H new ATOM 0 HG3 LYS A 118 118.503 -9.604 4.629 1.00 0.00 H new ATOM 0 HD2 LYS A 118 117.496 -10.700 7.303 1.00 0.00 H new ATOM 0 HD3 LYS A 118 118.355 -11.682 6.133 1.00 0.00 H new ATOM 0 HE2 LYS A 118 120.131 -10.920 7.484 1.00 0.00 H new ATOM 0 HE3 LYS A 118 120.157 -9.739 6.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 118 119.584 -8.119 7.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 118 118.287 -9.008 8.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 118 119.849 -9.210 8.868 1.00 0.00 H new ATOM 1823 N GLY A 119 114.816 -9.258 3.877 1.00 0.00 N ATOM 1824 CA GLY A 119 113.565 -9.994 3.723 1.00 0.00 C ATOM 1825 C GLY A 119 113.768 -11.269 2.910 1.00 0.00 C ATOM 1826 O GLY A 119 114.844 -11.501 2.359 1.00 0.00 O ATOM 0 H GLY A 119 115.516 -9.459 3.163 1.00 0.00 H new ATOM 0 HA2 GLY A 119 113.166 -10.246 4.705 1.00 0.00 H new ATOM 0 HA3 GLY A 119 112.826 -9.361 3.232 1.00 0.00 H new ATOM 1830 N SER A 120 112.726 -12.090 2.840 1.00 0.00 N ATOM 1831 CA SER A 120 112.798 -13.344 2.095 1.00 0.00 C ATOM 1832 C SER A 120 113.041 -13.099 0.607 1.00 0.00 C ATOM 1833 O SER A 120 113.744 -13.868 -0.049 1.00 0.00 O ATOM 1834 CB SER A 120 111.498 -14.128 2.275 1.00 0.00 C ATOM 1835 OG SER A 120 111.250 -14.307 3.663 1.00 0.00 O ATOM 0 H SER A 120 111.826 -11.913 3.287 1.00 0.00 H new ATOM 0 HA SER A 120 113.637 -13.918 2.488 1.00 0.00 H new ATOM 0 HB2 SER A 120 110.669 -13.593 1.811 1.00 0.00 H new ATOM 0 HB3 SER A 120 111.571 -15.096 1.778 1.00 0.00 H new ATOM 0 HG SER A 120 110.416 -14.808 3.784 1.00 0.00 H new ATOM 1841 N GLY A 121 112.457 -12.028 0.075 1.00 0.00 N ATOM 1842 CA GLY A 121 112.543 -11.753 -1.356 1.00 0.00 C ATOM 1843 C GLY A 121 113.975 -11.466 -1.794 1.00 0.00 C ATOM 1844 O GLY A 121 114.542 -10.425 -1.461 1.00 0.00 O ATOM 0 H GLY A 121 111.923 -11.342 0.609 1.00 0.00 H new ATOM 0 HA2 GLY A 121 112.157 -12.606 -1.914 1.00 0.00 H new ATOM 0 HA3 GLY A 121 111.910 -10.900 -1.600 1.00 0.00 H new ATOM 1848 N GLY A 122 114.551 -12.398 -2.548 1.00 0.00 N ATOM 1849 CA GLY A 122 115.886 -12.209 -3.114 1.00 0.00 C ATOM 1850 C GLY A 122 116.909 -11.758 -2.071 1.00 0.00 C ATOM 1851 O GLY A 122 117.899 -11.112 -2.415 1.00 0.00 O ATOM 0 H GLY A 122 114.116 -13.291 -2.782 1.00 0.00 H new ATOM 0 HA2 GLY A 122 116.221 -13.143 -3.565 1.00 0.00 H new ATOM 0 HA3 GLY A 122 115.836 -11.469 -3.913 1.00 0.00 H new ATOM 1855 N GLY A 123 116.684 -12.108 -0.807 1.00 0.00 N ATOM 1856 CA GLY A 123 117.591 -11.702 0.261 1.00 0.00 C ATOM 1857 C GLY A 123 117.233 -10.313 0.779 1.00 0.00 C ATOM 1858 O GLY A 123 116.917 -10.141 1.953 1.00 0.00 O ATOM 0 H GLY A 123 115.888 -12.667 -0.500 1.00 0.00 H new ATOM 0 HA2 GLY A 123 117.544 -12.423 1.078 1.00 0.00 H new ATOM 0 HA3 GLY A 123 118.617 -11.704 -0.107 1.00 0.00 H new ATOM 1862 N TYR A 124 117.277 -9.320 -0.105 1.00 0.00 N ATOM 1863 CA TYR A 124 116.911 -7.953 0.259 1.00 0.00 C ATOM 1864 C TYR A 124 115.588 -7.567 -0.392 1.00 0.00 C ATOM 1865 O TYR A 124 115.288 -7.996 -1.506 1.00 0.00 O ATOM 1866 CB TYR A 124 118.015 -6.991 -0.177 1.00 0.00 C ATOM 1867 CG TYR A 124 119.184 -6.966 0.779 1.00 0.00 C ATOM 1868 CD1 TYR A 124 119.769 -8.167 1.194 1.00 0.00 C ATOM 1869 CD2 TYR A 124 119.686 -5.745 1.243 1.00 0.00 C ATOM 1870 CE1 TYR A 124 120.857 -8.149 2.073 1.00 0.00 C ATOM 1871 CE2 TYR A 124 120.774 -5.726 2.124 1.00 0.00 C ATOM 1872 CZ TYR A 124 121.359 -6.927 2.539 1.00 0.00 C ATOM 1873 OH TYR A 124 122.432 -6.908 3.407 1.00 0.00 O ATOM 0 H TYR A 124 117.562 -9.435 -1.078 1.00 0.00 H new ATOM 0 HA TYR A 124 116.793 -7.894 1.341 1.00 0.00 H new ATOM 0 HB2 TYR A 124 118.368 -7.277 -1.168 1.00 0.00 H new ATOM 0 HB3 TYR A 124 117.601 -5.986 -0.263 1.00 0.00 H new ATOM 0 HD1 TYR A 124 119.380 -9.109 0.836 1.00 0.00 H new ATOM 0 HD2 TYR A 124 119.235 -4.818 0.922 1.00 0.00 H new ATOM 0 HE1 TYR A 124 121.310 -9.076 2.392 1.00 0.00 H new ATOM 0 HE2 TYR A 124 121.162 -4.784 2.483 1.00 0.00 H new ATOM 0 HH TYR A 124 122.655 -5.980 3.631 1.00 0.00 H new ATOM 1883 N ILE A 125 114.799 -6.757 0.306 1.00 0.00 N ATOM 1884 CA ILE A 125 113.476 -6.392 -0.187 1.00 0.00 C ATOM 1885 C ILE A 125 113.592 -5.410 -1.354 1.00 0.00 C ATOM 1886 O ILE A 125 114.342 -4.435 -1.294 1.00 0.00 O ATOM 1887 CB ILE A 125 112.650 -5.800 0.963 1.00 0.00 C ATOM 1888 CG1 ILE A 125 112.523 -6.853 2.072 1.00 0.00 C ATOM 1889 CG2 ILE A 125 111.252 -5.415 0.476 1.00 0.00 C ATOM 1890 CD1 ILE A 125 111.888 -6.248 3.329 1.00 0.00 C ATOM 0 H ILE A 125 115.049 -6.345 1.205 1.00 0.00 H new ATOM 0 HA ILE A 125 112.967 -7.282 -0.558 1.00 0.00 H new ATOM 0 HB ILE A 125 113.149 -4.907 1.339 1.00 0.00 H new ATOM 0 HG12 ILE A 125 111.917 -7.688 1.719 1.00 0.00 H new ATOM 0 HG13 ILE A 125 113.508 -7.253 2.314 1.00 0.00 H new ATOM 0 HG21 ILE A 125 110.680 -4.997 1.305 1.00 0.00 H new ATOM 0 HG22 ILE A 125 111.335 -4.673 -0.318 1.00 0.00 H new ATOM 0 HG23 ILE A 125 110.743 -6.300 0.094 1.00 0.00 H new ATOM 0 HD11 ILE A 125 111.808 -7.013 4.101 1.00 0.00 H new ATOM 0 HD12 ILE A 125 112.509 -5.429 3.692 1.00 0.00 H new ATOM 0 HD13 ILE A 125 110.894 -5.870 3.089 1.00 0.00 H new ATOM 1902 N SER A 126 112.836 -5.687 -2.414 1.00 0.00 N ATOM 1903 CA SER A 126 112.923 -4.913 -3.649 1.00 0.00 C ATOM 1904 C SER A 126 112.499 -3.464 -3.452 1.00 0.00 C ATOM 1905 O SER A 126 111.548 -3.167 -2.727 1.00 0.00 O ATOM 1906 CB SER A 126 112.036 -5.554 -4.717 1.00 0.00 C ATOM 1907 OG SER A 126 112.460 -6.893 -4.935 1.00 0.00 O ATOM 0 H SER A 126 112.154 -6.445 -2.442 1.00 0.00 H new ATOM 0 HA SER A 126 113.967 -4.916 -3.964 1.00 0.00 H new ATOM 0 HB2 SER A 126 110.994 -5.537 -4.399 1.00 0.00 H new ATOM 0 HB3 SER A 126 112.095 -4.985 -5.645 1.00 0.00 H new ATOM 0 HG SER A 126 111.893 -7.309 -5.618 1.00 0.00 H new ATOM 1913 N LEU A 127 113.225 -2.569 -4.114 1.00 0.00 N ATOM 1914 CA LEU A 127 112.837 -1.159 -4.181 1.00 0.00 C ATOM 1915 C LEU A 127 112.036 -0.840 -5.456 1.00 0.00 C ATOM 1916 O LEU A 127 111.811 0.328 -5.768 1.00 0.00 O ATOM 1917 CB LEU A 127 114.087 -0.268 -4.158 1.00 0.00 C ATOM 1918 CG LEU A 127 114.965 -0.594 -2.944 1.00 0.00 C ATOM 1919 CD1 LEU A 127 116.223 0.278 -2.982 1.00 0.00 C ATOM 1920 CD2 LEU A 127 114.197 -0.307 -1.653 1.00 0.00 C ATOM 0 H LEU A 127 114.086 -2.792 -4.613 1.00 0.00 H new ATOM 0 HA LEU A 127 112.206 -0.961 -3.314 1.00 0.00 H new ATOM 0 HB2 LEU A 127 114.659 -0.412 -5.075 1.00 0.00 H new ATOM 0 HB3 LEU A 127 113.791 0.781 -4.128 1.00 0.00 H new ATOM 0 HG LEU A 127 115.240 -1.648 -2.974 1.00 0.00 H new ATOM 0 HD11 LEU A 127 116.850 0.049 -2.120 1.00 0.00 H new ATOM 0 HD12 LEU A 127 116.778 0.077 -3.898 1.00 0.00 H new ATOM 0 HD13 LEU A 127 115.938 1.330 -2.954 1.00 0.00 H new ATOM 0 HD21 LEU A 127 114.827 -0.541 -0.795 1.00 0.00 H new ATOM 0 HD22 LEU A 127 113.918 0.746 -1.622 1.00 0.00 H new ATOM 0 HD23 LEU A 127 113.297 -0.921 -1.621 1.00 0.00 H new ATOM 1932 N GLY A 128 111.607 -1.863 -6.201 1.00 0.00 N ATOM 1933 CA GLY A 128 110.957 -1.652 -7.492 1.00 0.00 C ATOM 1934 C GLY A 128 109.848 -0.604 -7.434 1.00 0.00 C ATOM 1935 O GLY A 128 109.782 0.277 -8.291 1.00 0.00 O ATOM 0 H GLY A 128 111.699 -2.842 -5.931 1.00 0.00 H new ATOM 0 HA2 GLY A 128 111.704 -1.343 -8.223 1.00 0.00 H new ATOM 0 HA3 GLY A 128 110.540 -2.596 -7.842 1.00 0.00 H new ATOM 1939 N ALA A 129 108.992 -0.678 -6.418 1.00 0.00 N ATOM 1940 CA ALA A 129 107.859 0.240 -6.327 1.00 0.00 C ATOM 1941 C ALA A 129 108.336 1.688 -6.286 1.00 0.00 C ATOM 1942 O ALA A 129 107.856 2.536 -7.041 1.00 0.00 O ATOM 1943 CB ALA A 129 107.039 -0.064 -5.072 1.00 0.00 C ATOM 0 H ALA A 129 109.058 -1.353 -5.656 1.00 0.00 H new ATOM 0 HA ALA A 129 107.237 0.102 -7.211 1.00 0.00 H new ATOM 0 HB1 ALA A 129 106.197 0.625 -5.012 1.00 0.00 H new ATOM 0 HB2 ALA A 129 106.668 -1.088 -5.119 1.00 0.00 H new ATOM 0 HB3 ALA A 129 107.668 0.054 -4.189 1.00 0.00 H new ATOM 1949 N LEU A 130 109.309 1.962 -5.425 1.00 0.00 N ATOM 1950 CA LEU A 130 109.827 3.316 -5.284 1.00 0.00 C ATOM 1951 C LEU A 130 110.385 3.815 -6.614 1.00 0.00 C ATOM 1952 O LEU A 130 110.150 4.957 -7.011 1.00 0.00 O ATOM 1953 CB LEU A 130 110.923 3.334 -4.217 1.00 0.00 C ATOM 1954 CG LEU A 130 111.398 4.768 -3.978 1.00 0.00 C ATOM 1955 CD1 LEU A 130 110.304 5.554 -3.252 1.00 0.00 C ATOM 1956 CD2 LEU A 130 112.664 4.744 -3.118 1.00 0.00 C ATOM 0 H LEU A 130 109.751 1.271 -4.819 1.00 0.00 H new ATOM 0 HA LEU A 130 109.015 3.977 -4.981 1.00 0.00 H new ATOM 0 HB2 LEU A 130 110.544 2.908 -3.288 1.00 0.00 H new ATOM 0 HB3 LEU A 130 111.761 2.713 -4.534 1.00 0.00 H new ATOM 0 HG LEU A 130 111.613 5.246 -4.934 1.00 0.00 H new ATOM 0 HD11 LEU A 130 110.642 6.576 -3.082 1.00 0.00 H new ATOM 0 HD12 LEU A 130 109.400 5.568 -3.862 1.00 0.00 H new ATOM 0 HD13 LEU A 130 110.089 5.079 -2.295 1.00 0.00 H new ATOM 0 HD21 LEU A 130 113.006 5.764 -2.945 1.00 0.00 H new ATOM 0 HD22 LEU A 130 112.446 4.268 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 130 113.443 4.183 -3.633 1.00 0.00 H new ATOM 1968 N LEU A 131 111.102 2.943 -7.313 1.00 0.00 N ATOM 1969 CA LEU A 131 111.713 3.320 -8.581 1.00 0.00 C ATOM 1970 C LEU A 131 110.649 3.766 -9.576 1.00 0.00 C ATOM 1971 O LEU A 131 110.804 4.787 -10.244 1.00 0.00 O ATOM 1972 CB LEU A 131 112.492 2.132 -9.152 1.00 0.00 C ATOM 1973 CG LEU A 131 113.232 2.546 -10.427 1.00 0.00 C ATOM 1974 CD1 LEU A 131 114.410 3.452 -10.064 1.00 0.00 C ATOM 1975 CD2 LEU A 131 113.752 1.294 -11.137 1.00 0.00 C ATOM 0 H LEU A 131 111.273 1.979 -7.027 1.00 0.00 H new ATOM 0 HA LEU A 131 112.396 4.152 -8.406 1.00 0.00 H new ATOM 0 HB2 LEU A 131 113.204 1.766 -8.412 1.00 0.00 H new ATOM 0 HB3 LEU A 131 111.809 1.311 -9.370 1.00 0.00 H new ATOM 0 HG LEU A 131 112.551 3.085 -11.086 1.00 0.00 H new ATOM 0 HD11 LEU A 131 114.936 3.746 -10.972 1.00 0.00 H new ATOM 0 HD12 LEU A 131 114.041 4.342 -9.554 1.00 0.00 H new ATOM 0 HD13 LEU A 131 115.093 2.914 -9.407 1.00 0.00 H new ATOM 0 HD21 LEU A 131 114.280 1.584 -12.046 1.00 0.00 H new ATOM 0 HD22 LEU A 131 114.434 0.758 -10.477 1.00 0.00 H new ATOM 0 HD23 LEU A 131 112.913 0.647 -11.395 1.00 0.00 H new ATOM 1987 N SER A 132 109.556 3.018 -9.647 1.00 0.00 N ATOM 1988 CA SER A 132 108.504 3.320 -10.609 1.00 0.00 C ATOM 1989 C SER A 132 107.945 4.717 -10.371 1.00 0.00 C ATOM 1990 O SER A 132 107.768 5.493 -11.312 1.00 0.00 O ATOM 1991 CB SER A 132 107.380 2.290 -10.499 1.00 0.00 C ATOM 1992 OG SER A 132 107.926 0.987 -10.651 1.00 0.00 O ATOM 0 H SER A 132 109.375 2.206 -9.057 1.00 0.00 H new ATOM 0 HA SER A 132 108.933 3.280 -11.610 1.00 0.00 H new ATOM 0 HB2 SER A 132 106.882 2.379 -9.533 1.00 0.00 H new ATOM 0 HB3 SER A 132 106.626 2.473 -11.264 1.00 0.00 H new ATOM 0 HG SER A 132 108.380 0.724 -9.823 1.00 0.00 H new ATOM 1998 N THR A 133 107.703 5.050 -9.107 1.00 0.00 N ATOM 1999 CA THR A 133 107.132 6.351 -8.778 1.00 0.00 C ATOM 2000 C THR A 133 108.048 7.473 -9.252 1.00 0.00 C ATOM 2001 O THR A 133 107.602 8.430 -9.891 1.00 0.00 O ATOM 2002 CB THR A 133 106.918 6.463 -7.267 1.00 0.00 C ATOM 2003 OG1 THR A 133 106.143 5.362 -6.817 1.00 0.00 O ATOM 2004 CG2 THR A 133 106.185 7.768 -6.945 1.00 0.00 C ATOM 0 H THR A 133 107.890 4.448 -8.305 1.00 0.00 H new ATOM 0 HA THR A 133 106.172 6.444 -9.286 1.00 0.00 H new ATOM 0 HB THR A 133 107.885 6.459 -6.764 1.00 0.00 H new ATOM 0 HG1 THR A 133 106.007 5.432 -5.849 1.00 0.00 H new ATOM 0 HG21 THR A 133 106.034 7.844 -5.868 1.00 0.00 H new ATOM 0 HG22 THR A 133 106.780 8.614 -7.289 1.00 0.00 H new ATOM 0 HG23 THR A 133 105.218 7.776 -7.448 1.00 0.00 H new ATOM 2012 N THR A 134 109.338 7.336 -8.971 1.00 0.00 N ATOM 2013 CA THR A 134 110.295 8.377 -9.328 1.00 0.00 C ATOM 2014 C THR A 134 110.349 8.574 -10.840 1.00 0.00 C ATOM 2015 O THR A 134 110.374 9.704 -11.328 1.00 0.00 O ATOM 2016 CB THR A 134 111.679 8.018 -8.792 1.00 0.00 C ATOM 2017 OG1 THR A 134 111.574 7.722 -7.407 1.00 0.00 O ATOM 2018 CG2 THR A 134 112.626 9.204 -8.991 1.00 0.00 C ATOM 0 H THR A 134 109.743 6.525 -8.503 1.00 0.00 H new ATOM 0 HA THR A 134 109.969 9.314 -8.876 1.00 0.00 H new ATOM 0 HB THR A 134 112.070 7.152 -9.326 1.00 0.00 H new ATOM 0 HG1 THR A 134 111.275 6.796 -7.292 1.00 0.00 H new ATOM 0 HG21 THR A 134 113.614 8.949 -8.609 1.00 0.00 H new ATOM 0 HG22 THR A 134 112.697 9.438 -10.053 1.00 0.00 H new ATOM 0 HG23 THR A 134 112.242 10.071 -8.453 1.00 0.00 H new ATOM 2026 N LEU A 135 110.340 7.472 -11.586 1.00 0.00 N ATOM 2027 CA LEU A 135 110.390 7.552 -13.043 1.00 0.00 C ATOM 2028 C LEU A 135 109.194 8.331 -13.581 1.00 0.00 C ATOM 2029 O LEU A 135 109.329 9.114 -14.522 1.00 0.00 O ATOM 2030 CB LEU A 135 110.405 6.147 -13.649 1.00 0.00 C ATOM 2031 CG LEU A 135 111.694 5.424 -13.254 1.00 0.00 C ATOM 2032 CD1 LEU A 135 111.605 3.956 -13.677 1.00 0.00 C ATOM 2033 CD2 LEU A 135 112.883 6.079 -13.959 1.00 0.00 C ATOM 0 H LEU A 135 110.299 6.524 -11.211 1.00 0.00 H new ATOM 0 HA LEU A 135 111.304 8.075 -13.325 1.00 0.00 H new ATOM 0 HB2 LEU A 135 109.540 5.582 -13.302 1.00 0.00 H new ATOM 0 HB3 LEU A 135 110.330 6.209 -14.735 1.00 0.00 H new ATOM 0 HG LEU A 135 111.828 5.487 -12.174 1.00 0.00 H new ATOM 0 HD11 LEU A 135 112.523 3.440 -13.396 1.00 0.00 H new ATOM 0 HD12 LEU A 135 110.757 3.485 -13.180 1.00 0.00 H new ATOM 0 HD13 LEU A 135 111.471 3.896 -14.757 1.00 0.00 H new ATOM 0 HD21 LEU A 135 113.802 5.564 -13.678 1.00 0.00 H new ATOM 0 HD22 LEU A 135 112.747 6.014 -15.039 1.00 0.00 H new ATOM 0 HD23 LEU A 135 112.949 7.126 -13.664 1.00 0.00 H new ATOM 2045 N ASN A 136 108.026 8.114 -12.985 1.00 0.00 N ATOM 2046 CA ASN A 136 106.824 8.821 -13.411 1.00 0.00 C ATOM 2047 C ASN A 136 107.012 10.328 -13.268 1.00 0.00 C ATOM 2048 O ASN A 136 106.615 11.099 -14.141 1.00 0.00 O ATOM 2049 CB ASN A 136 105.627 8.373 -12.571 1.00 0.00 C ATOM 2050 CG ASN A 136 105.335 6.893 -12.812 1.00 0.00 C ATOM 2051 OD1 ASN A 136 105.705 6.344 -13.850 1.00 0.00 O ATOM 2052 ND2 ASN A 136 104.690 6.211 -11.906 1.00 0.00 N ATOM 0 H ASN A 136 107.887 7.461 -12.214 1.00 0.00 H new ATOM 0 HA ASN A 136 106.639 8.585 -14.459 1.00 0.00 H new ATOM 0 HB2 ASN A 136 105.832 8.543 -11.514 1.00 0.00 H new ATOM 0 HB3 ASN A 136 104.751 8.970 -12.826 1.00 0.00 H new ATOM 0 HD21 ASN A 136 104.492 5.222 -12.057 1.00 0.00 H new ATOM 0 HD22 ASN A 136 104.384 6.667 -11.046 1.00 0.00 H new ATOM 2059 N LEU A 137 107.621 10.741 -12.161 1.00 0.00 N ATOM 2060 CA LEU A 137 107.873 12.161 -11.928 1.00 0.00 C ATOM 2061 C LEU A 137 108.794 12.736 -12.999 1.00 0.00 C ATOM 2062 O LEU A 137 108.591 13.854 -13.472 1.00 0.00 O ATOM 2063 CB LEU A 137 108.530 12.365 -10.560 1.00 0.00 C ATOM 2064 CG LEU A 137 107.659 11.773 -9.450 1.00 0.00 C ATOM 2065 CD1 LEU A 137 108.374 11.945 -8.107 1.00 0.00 C ATOM 2066 CD2 LEU A 137 106.311 12.498 -9.400 1.00 0.00 C ATOM 0 H LEU A 137 107.946 10.122 -11.418 1.00 0.00 H new ATOM 0 HA LEU A 137 106.913 12.676 -11.963 1.00 0.00 H new ATOM 0 HB2 LEU A 137 109.513 11.894 -10.549 1.00 0.00 H new ATOM 0 HB3 LEU A 137 108.685 13.429 -10.380 1.00 0.00 H new ATOM 0 HG LEU A 137 107.489 10.715 -9.650 1.00 0.00 H new ATOM 0 HD11 LEU A 137 107.759 11.525 -7.311 1.00 0.00 H new ATOM 0 HD12 LEU A 137 109.333 11.427 -8.136 1.00 0.00 H new ATOM 0 HD13 LEU A 137 108.540 13.005 -7.916 1.00 0.00 H new ATOM 0 HD21 LEU A 137 105.697 12.070 -8.607 1.00 0.00 H new ATOM 0 HD22 LEU A 137 106.475 13.557 -9.201 1.00 0.00 H new ATOM 0 HD23 LEU A 137 105.800 12.383 -10.356 1.00 0.00 H new ATOM 2078 N CYS A 138 109.798 11.959 -13.390 1.00 0.00 N ATOM 2079 CA CYS A 138 110.764 12.423 -14.382 1.00 0.00 C ATOM 2080 C CYS A 138 110.100 12.770 -15.719 1.00 0.00 C ATOM 2081 O CYS A 138 110.632 13.579 -16.479 1.00 0.00 O ATOM 2082 CB CYS A 138 111.837 11.354 -14.606 1.00 0.00 C ATOM 2083 SG CYS A 138 112.770 10.987 -13.086 1.00 0.00 S ATOM 0 H CYS A 138 109.965 11.015 -13.041 1.00 0.00 H new ATOM 0 HA CYS A 138 111.218 13.333 -13.991 1.00 0.00 H new ATOM 0 HB2 CYS A 138 111.367 10.441 -14.971 1.00 0.00 H new ATOM 0 HB3 CYS A 138 112.526 11.690 -15.381 1.00 0.00 H new ATOM 2088 N GLY A 139 108.947 12.168 -16.010 1.00 0.00 N ATOM 2089 CA GLY A 139 108.220 12.486 -17.237 1.00 0.00 C ATOM 2090 C GLY A 139 108.775 11.754 -18.462 1.00 0.00 C ATOM 2091 O GLY A 139 108.584 12.205 -19.591 1.00 0.00 O ATOM 0 H GLY A 139 108.501 11.466 -15.420 1.00 0.00 H new ATOM 0 HA2 GLY A 139 107.169 12.226 -17.109 1.00 0.00 H new ATOM 0 HA3 GLY A 139 108.263 13.561 -17.411 1.00 0.00 H new ATOM 2095 N LYS A 140 109.463 10.632 -18.249 1.00 0.00 N ATOM 2096 CA LYS A 140 110.049 9.882 -19.356 1.00 0.00 C ATOM 2097 C LYS A 140 109.003 9.552 -20.423 1.00 0.00 C ATOM 2098 O LYS A 140 107.854 9.244 -20.107 1.00 0.00 O ATOM 2099 CB LYS A 140 110.719 8.606 -18.821 1.00 0.00 C ATOM 2100 CG LYS A 140 109.677 7.612 -18.295 1.00 0.00 C ATOM 2101 CD LYS A 140 110.387 6.414 -17.659 1.00 0.00 C ATOM 2102 CE LYS A 140 109.380 5.285 -17.432 1.00 0.00 C ATOM 2103 NZ LYS A 140 108.394 5.695 -16.392 1.00 0.00 N ATOM 0 H LYS A 140 109.626 10.226 -17.327 1.00 0.00 H new ATOM 0 HA LYS A 140 110.807 10.503 -19.833 1.00 0.00 H new ATOM 0 HB2 LYS A 140 111.303 8.139 -19.614 1.00 0.00 H new ATOM 0 HB3 LYS A 140 111.414 8.865 -18.023 1.00 0.00 H new ATOM 0 HG2 LYS A 140 109.034 8.098 -17.562 1.00 0.00 H new ATOM 0 HG3 LYS A 140 109.035 7.277 -19.110 1.00 0.00 H new ATOM 0 HD2 LYS A 140 111.194 6.071 -18.306 1.00 0.00 H new ATOM 0 HD3 LYS A 140 110.840 6.707 -16.712 1.00 0.00 H new ATOM 0 HE2 LYS A 140 108.865 5.051 -18.364 1.00 0.00 H new ATOM 0 HE3 LYS A 140 109.899 4.379 -17.118 1.00 0.00 H new ATOM 0 HZ1 LYS A 140 108.390 4.996 -15.622 1.00 0.00 H new ATOM 0 HZ2 LYS A 140 108.657 6.627 -16.012 1.00 0.00 H new ATOM 0 HZ3 LYS A 140 107.446 5.749 -16.815 1.00 0.00 H new ATOM 2117 N GLY A 141 109.411 9.621 -21.686 1.00 0.00 N ATOM 2118 CA GLY A 141 108.504 9.329 -22.789 1.00 0.00 C ATOM 2119 C GLY A 141 108.101 7.858 -22.790 1.00 0.00 C ATOM 2120 O GLY A 141 108.734 7.090 -22.085 1.00 0.00 O ATOM 2121 OXT GLY A 141 107.162 7.522 -23.494 1.00 0.00 O ATOM 0 H GLY A 141 110.357 9.875 -21.970 1.00 0.00 H new ATOM 0 HA2 GLY A 141 107.614 9.953 -22.708 1.00 0.00 H new ATOM 0 HA3 GLY A 141 108.984 9.579 -23.735 1.00 0.00 H new TER 2125 GLY A 141