USER MOD reduce.3.24.130724 H: found=0, std=0, add=946, rem=0, adj=32 USER MOD reduce.3.24.130724 removed 938 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 57 THR OG1 : rot -35:sc= 0.771 USER MOD Set 1.2: A 94 THR OG1 : rot 72:sc= 0.783 USER MOD Set 2.1: A 28 SER OG : rot -144:sc= 1.37 USER MOD Set 2.2: A 120 SER OG : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 52:sc= 0.208 USER MOD Single : A 5 SER OG : rot -57:sc= 0.195 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 HIS : no HD1:sc= -1.58 K(o=-1.6,f=-0.87) USER MOD Single : A 9 SER OG : rot 180:sc=-0.000415 USER MOD Single : A 15 MET CE :methyl 168:sc= -0.218 (180deg=-0.46) USER MOD Single : A 20 ASN : amide:sc= -0.18 K(o=-0.18,f=-1.2) USER MOD Single : A 24 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 27 ASN : amide:sc= 0 X(o=0,f=-0.056) USER MOD Single : A 29 THR OG1 : rot 180:sc= 0 USER MOD Single : A 34 HIS : no HD1:sc= -0.0773 X(o=-0.077,f=0) USER MOD Single : A 41 LYS NZ :NH3+ 173:sc= 0 (180deg=-0.0538) USER MOD Single : A 42 SER OG : rot -47:sc= 0.228 USER MOD Single : A 46 HIS : no HD1:sc= -0.0784 X(o=-0.078,f=0) USER MOD Single : A 48 GLN : amide:sc= -0.0277 X(o=-0.028,f=-0.35) USER MOD Single : A 50 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 11:sc= 1.28 USER MOD Single : A 54 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ -178:sc= 0.811 (180deg=0.754) USER MOD Single : A 58 GLN : amide:sc=-0.000373 K(o=-0.00037,f=-0.6) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 60 SER OG : rot -51:sc= 0.324 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 67 HIS : no HD1:sc= -0.0215 X(o=-0.022,f=0) USER MOD Single : A 70 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 71 LYS NZ :NH3+ 146:sc= 1.29 (180deg=0.48) USER MOD Single : A 74 THR OG1 : rot 180:sc= 0 USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 SER OG : rot 180:sc= -0.0264 USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0.0063 USER MOD Single : A 81 HIS : no HE2:sc= 0.509 K(o=0.51,f=-2.6!) USER MOD Single : A 83 MET CE :methyl -173:sc= -0.291 (180deg=-0.391) USER MOD Single : A 91 SER OG : rot 35:sc= 0.164 USER MOD Single : A 92 HIS : no HD1:sc= -0.274 X(o=-0.27,f=-0.068) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 96 ASN : amide:sc= -0.293 K(o=-0.29,f=-2.5!) USER MOD Single : A 101 ASN : amide:sc= 1.67 K(o=1.7,f=-9!) USER MOD Single : A 103 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 SER OG : rot 81:sc= 0.735 USER MOD Single : A 115 ASN : amide:sc= 0.182 X(o=0.18,f=-0.035) USER MOD Single : A 116 THR OG1 : rot -172:sc= 1.14 USER MOD Single : A 123 SER OG : rot 180:sc= 0 USER MOD Single : A 124 SER OG : rot -33:sc= 0.203 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 10.079 -34.336 -6.264 1.00 0.00 N ATOM 2 CA GLY A 1 9.363 -35.182 -5.307 1.00 0.00 C ATOM 3 C GLY A 1 9.889 -35.009 -3.895 1.00 0.00 C ATOM 4 O GLY A 1 10.858 -35.671 -3.518 1.00 0.00 O ATOM 0 H1 GLY A 1 9.690 -34.484 -7.217 1.00 0.00 H new ATOM 0 H2 GLY A 1 9.968 -33.337 -5.995 1.00 0.00 H new ATOM 0 H3 GLY A 1 11.089 -34.585 -6.260 1.00 0.00 H new ATOM 0 HA2 GLY A 1 8.301 -34.939 -5.331 1.00 0.00 H new ATOM 0 HA3 GLY A 1 9.457 -36.226 -5.604 1.00 0.00 H new ATOM 8 N SER A 2 9.257 -34.160 -3.079 1.00 0.00 N ATOM 9 CA SER A 2 9.498 -34.142 -1.643 1.00 0.00 C ATOM 10 C SER A 2 8.995 -35.466 -1.066 1.00 0.00 C ATOM 11 O SER A 2 7.825 -35.816 -1.247 1.00 0.00 O ATOM 12 CB SER A 2 8.760 -32.971 -0.992 1.00 0.00 C ATOM 13 OG SER A 2 9.114 -31.733 -1.581 1.00 0.00 O ATOM 0 H SER A 2 8.572 -33.474 -3.396 1.00 0.00 H new ATOM 0 HA SER A 2 10.563 -34.019 -1.443 1.00 0.00 H new ATOM 0 HB2 SER A 2 7.685 -33.123 -1.084 1.00 0.00 H new ATOM 0 HB3 SER A 2 8.988 -32.945 0.074 1.00 0.00 H new ATOM 0 HG SER A 2 8.622 -31.009 -1.141 1.00 0.00 H new ATOM 19 N SER A 3 9.864 -36.214 -0.394 1.00 0.00 N ATOM 20 CA SER A 3 9.509 -37.431 0.312 1.00 0.00 C ATOM 21 C SER A 3 8.953 -37.055 1.692 1.00 0.00 C ATOM 22 O SER A 3 9.665 -37.152 2.693 1.00 0.00 O ATOM 23 CB SER A 3 10.761 -38.319 0.379 1.00 0.00 C ATOM 24 OG SER A 3 11.866 -37.585 0.880 1.00 0.00 O ATOM 0 H SER A 3 10.855 -35.982 -0.326 1.00 0.00 H new ATOM 0 HA SER A 3 8.729 -37.997 -0.198 1.00 0.00 H new ATOM 0 HB2 SER A 3 10.569 -39.180 1.019 1.00 0.00 H new ATOM 0 HB3 SER A 3 10.994 -38.705 -0.614 1.00 0.00 H new ATOM 0 HG SER A 3 11.614 -37.147 1.720 1.00 0.00 H new ATOM 30 N GLY A 4 7.708 -36.582 1.763 1.00 0.00 N ATOM 31 CA GLY A 4 7.075 -36.230 3.025 1.00 0.00 C ATOM 32 C GLY A 4 5.606 -35.881 2.821 1.00 0.00 C ATOM 33 O GLY A 4 5.185 -35.591 1.699 1.00 0.00 O ATOM 0 H GLY A 4 7.115 -36.434 0.946 1.00 0.00 H new ATOM 0 HA2 GLY A 4 7.161 -37.062 3.724 1.00 0.00 H new ATOM 0 HA3 GLY A 4 7.595 -35.383 3.473 1.00 0.00 H new ATOM 37 N SER A 5 4.841 -35.917 3.915 1.00 0.00 N ATOM 38 CA SER A 5 3.385 -35.829 3.920 1.00 0.00 C ATOM 39 C SER A 5 2.904 -35.138 5.208 1.00 0.00 C ATOM 40 O SER A 5 1.985 -35.623 5.865 1.00 0.00 O ATOM 41 CB SER A 5 2.823 -37.255 3.759 1.00 0.00 C ATOM 42 OG SER A 5 1.423 -37.247 3.586 1.00 0.00 O ATOM 0 H SER A 5 5.235 -36.011 4.851 1.00 0.00 H new ATOM 0 HA SER A 5 3.021 -35.220 3.093 1.00 0.00 H new ATOM 0 HB2 SER A 5 3.293 -37.737 2.902 1.00 0.00 H new ATOM 0 HB3 SER A 5 3.078 -37.848 4.637 1.00 0.00 H new ATOM 0 HG SER A 5 1.002 -36.790 4.344 1.00 0.00 H new ATOM 48 N SER A 6 3.538 -34.031 5.603 1.00 0.00 N ATOM 49 CA SER A 6 3.129 -33.231 6.751 1.00 0.00 C ATOM 50 C SER A 6 3.287 -31.770 6.346 1.00 0.00 C ATOM 51 O SER A 6 4.421 -31.312 6.170 1.00 0.00 O ATOM 52 CB SER A 6 3.966 -33.606 7.982 1.00 0.00 C ATOM 53 OG SER A 6 3.419 -33.033 9.153 1.00 0.00 O ATOM 0 H SER A 6 4.361 -33.664 5.125 1.00 0.00 H new ATOM 0 HA SER A 6 2.092 -33.416 7.031 1.00 0.00 H new ATOM 0 HB2 SER A 6 4.004 -34.690 8.085 1.00 0.00 H new ATOM 0 HB3 SER A 6 4.992 -33.263 7.848 1.00 0.00 H new ATOM 0 HG SER A 6 3.965 -33.285 9.927 1.00 0.00 H new ATOM 59 N GLY A 7 2.159 -31.080 6.134 1.00 0.00 N ATOM 60 CA GLY A 7 2.102 -29.704 5.660 1.00 0.00 C ATOM 61 C GLY A 7 3.048 -29.477 4.484 1.00 0.00 C ATOM 62 O GLY A 7 3.184 -30.336 3.609 1.00 0.00 O ATOM 0 H GLY A 7 1.236 -31.483 6.295 1.00 0.00 H new ATOM 0 HA2 GLY A 7 1.082 -29.464 5.359 1.00 0.00 H new ATOM 0 HA3 GLY A 7 2.362 -29.027 6.474 1.00 0.00 H new ATOM 66 N HIS A 8 3.704 -28.322 4.486 1.00 0.00 N ATOM 67 CA HIS A 8 4.849 -27.993 3.651 1.00 0.00 C ATOM 68 C HIS A 8 5.905 -27.358 4.554 1.00 0.00 C ATOM 69 O HIS A 8 6.942 -27.962 4.831 1.00 0.00 O ATOM 70 CB HIS A 8 4.456 -27.082 2.470 1.00 0.00 C ATOM 71 CG HIS A 8 3.524 -25.933 2.801 1.00 0.00 C ATOM 72 ND1 HIS A 8 2.171 -26.046 3.002 1.00 0.00 N ATOM 73 CD2 HIS A 8 3.855 -24.616 2.976 1.00 0.00 C ATOM 74 CE1 HIS A 8 1.696 -24.841 3.342 1.00 0.00 C ATOM 75 NE2 HIS A 8 2.688 -23.931 3.355 1.00 0.00 N ATOM 0 H HIS A 8 3.437 -27.553 5.101 1.00 0.00 H new ATOM 0 HA HIS A 8 5.254 -28.894 3.190 1.00 0.00 H new ATOM 0 HB2 HIS A 8 5.367 -26.671 2.034 1.00 0.00 H new ATOM 0 HB3 HIS A 8 3.985 -27.697 1.703 1.00 0.00 H new ATOM 0 HD2 HIS A 8 4.835 -24.182 2.846 1.00 0.00 H new ATOM 0 HE1 HIS A 8 0.663 -24.629 3.573 1.00 0.00 H new ATOM 0 HE2 HIS A 8 2.608 -22.942 3.592 1.00 0.00 H new ATOM 83 N SER A 9 5.640 -26.142 5.017 1.00 0.00 N ATOM 84 CA SER A 9 6.525 -25.266 5.760 1.00 0.00 C ATOM 85 C SER A 9 5.635 -24.191 6.410 1.00 0.00 C ATOM 86 O SER A 9 4.405 -24.204 6.249 1.00 0.00 O ATOM 87 CB SER A 9 7.534 -24.673 4.752 1.00 0.00 C ATOM 88 OG SER A 9 8.540 -23.879 5.350 1.00 0.00 O ATOM 0 H SER A 9 4.727 -25.713 4.868 1.00 0.00 H new ATOM 0 HA SER A 9 7.090 -25.771 6.544 1.00 0.00 H new ATOM 0 HB2 SER A 9 8.006 -25.488 4.203 1.00 0.00 H new ATOM 0 HB3 SER A 9 6.993 -24.069 4.023 1.00 0.00 H new ATOM 0 HG SER A 9 9.143 -23.538 4.657 1.00 0.00 H new ATOM 94 N GLY A 10 6.256 -23.232 7.095 1.00 0.00 N ATOM 95 CA GLY A 10 5.602 -22.028 7.567 1.00 0.00 C ATOM 96 C GLY A 10 5.281 -22.165 9.041 1.00 0.00 C ATOM 97 O GLY A 10 4.471 -23.012 9.416 1.00 0.00 O ATOM 0 H GLY A 10 7.246 -23.278 7.338 1.00 0.00 H new ATOM 0 HA2 GLY A 10 6.247 -21.165 7.404 1.00 0.00 H new ATOM 0 HA3 GLY A 10 4.687 -21.854 7.001 1.00 0.00 H new ATOM 101 N GLU A 11 5.940 -21.361 9.872 1.00 0.00 N ATOM 102 CA GLU A 11 5.710 -21.289 11.308 1.00 0.00 C ATOM 103 C GLU A 11 5.062 -19.948 11.638 1.00 0.00 C ATOM 104 O GLU A 11 4.063 -19.902 12.356 1.00 0.00 O ATOM 105 CB GLU A 11 7.038 -21.434 12.057 1.00 0.00 C ATOM 106 CG GLU A 11 7.644 -22.833 11.950 1.00 0.00 C ATOM 107 CD GLU A 11 6.934 -23.773 12.910 1.00 0.00 C ATOM 108 OE1 GLU A 11 7.282 -23.739 14.114 1.00 0.00 O ATOM 109 OE2 GLU A 11 5.985 -24.462 12.476 1.00 0.00 O ATOM 0 H GLU A 11 6.670 -20.724 9.553 1.00 0.00 H new ATOM 0 HA GLU A 11 5.049 -22.098 11.617 1.00 0.00 H new ATOM 0 HB2 GLU A 11 7.749 -20.707 11.665 1.00 0.00 H new ATOM 0 HB3 GLU A 11 6.882 -21.193 13.108 1.00 0.00 H new ATOM 0 HG2 GLU A 11 7.552 -23.203 10.929 1.00 0.00 H new ATOM 0 HG3 GLU A 11 8.709 -22.797 12.181 1.00 0.00 H new ATOM 116 N ASP A 12 5.616 -18.858 11.099 1.00 0.00 N ATOM 117 CA ASP A 12 5.268 -17.499 11.499 1.00 0.00 C ATOM 118 C ASP A 12 5.072 -16.570 10.308 1.00 0.00 C ATOM 119 O ASP A 12 4.607 -15.459 10.520 1.00 0.00 O ATOM 120 CB ASP A 12 6.365 -16.902 12.395 1.00 0.00 C ATOM 121 CG ASP A 12 6.397 -17.460 13.811 1.00 0.00 C ATOM 122 OD1 ASP A 12 6.825 -18.617 14.021 1.00 0.00 O ATOM 123 OD2 ASP A 12 6.015 -16.711 14.739 1.00 0.00 O ATOM 0 H ASP A 12 6.325 -18.899 10.366 1.00 0.00 H new ATOM 0 HA ASP A 12 4.325 -17.575 12.041 1.00 0.00 H new ATOM 0 HB2 ASP A 12 7.334 -17.077 11.927 1.00 0.00 H new ATOM 0 HB3 ASP A 12 6.226 -15.822 12.447 1.00 0.00 H new ATOM 128 N LEU A 13 5.433 -16.950 9.078 1.00 0.00 N ATOM 129 CA LEU A 13 5.171 -16.124 7.899 1.00 0.00 C ATOM 130 C LEU A 13 3.673 -16.117 7.583 1.00 0.00 C ATOM 131 O LEU A 13 2.990 -17.098 7.889 1.00 0.00 O ATOM 132 CB LEU A 13 5.972 -16.656 6.698 1.00 0.00 C ATOM 133 CG LEU A 13 7.474 -16.357 6.814 1.00 0.00 C ATOM 134 CD1 LEU A 13 8.241 -17.118 5.740 1.00 0.00 C ATOM 135 CD2 LEU A 13 7.768 -14.861 6.668 1.00 0.00 C ATOM 0 H LEU A 13 5.909 -17.829 8.875 1.00 0.00 H new ATOM 0 HA LEU A 13 5.486 -15.101 8.104 1.00 0.00 H new ATOM 0 HB2 LEU A 13 5.825 -17.733 6.615 1.00 0.00 H new ATOM 0 HB3 LEU A 13 5.586 -16.210 5.781 1.00 0.00 H new ATOM 0 HG LEU A 13 7.794 -16.677 7.806 1.00 0.00 H new ATOM 0 HD11 LEU A 13 9.305 -16.900 5.830 1.00 0.00 H new ATOM 0 HD12 LEU A 13 8.078 -18.188 5.866 1.00 0.00 H new ATOM 0 HD13 LEU A 13 7.889 -16.811 4.755 1.00 0.00 H new ATOM 0 HD21 LEU A 13 8.841 -14.691 6.756 1.00 0.00 H new ATOM 0 HD22 LEU A 13 7.425 -14.516 5.693 1.00 0.00 H new ATOM 0 HD23 LEU A 13 7.248 -14.310 7.451 1.00 0.00 H new ATOM 147 N PRO A 14 3.142 -15.063 6.940 1.00 0.00 N ATOM 148 CA PRO A 14 1.746 -15.059 6.535 1.00 0.00 C ATOM 149 C PRO A 14 1.543 -15.984 5.331 1.00 0.00 C ATOM 150 O PRO A 14 2.502 -16.385 4.666 1.00 0.00 O ATOM 151 CB PRO A 14 1.427 -13.608 6.190 1.00 0.00 C ATOM 152 CG PRO A 14 2.771 -13.045 5.740 1.00 0.00 C ATOM 153 CD PRO A 14 3.813 -13.843 6.507 1.00 0.00 C ATOM 0 HA PRO A 14 1.085 -15.428 7.319 1.00 0.00 H new ATOM 0 HB2 PRO A 14 0.678 -13.538 5.401 1.00 0.00 H new ATOM 0 HB3 PRO A 14 1.034 -13.068 7.051 1.00 0.00 H new ATOM 0 HG2 PRO A 14 2.904 -13.155 4.664 1.00 0.00 H new ATOM 0 HG3 PRO A 14 2.847 -11.981 5.963 1.00 0.00 H new ATOM 0 HD2 PRO A 14 4.672 -14.072 5.876 1.00 0.00 H new ATOM 0 HD3 PRO A 14 4.187 -13.278 7.361 1.00 0.00 H new ATOM 161 N MET A 15 0.285 -16.293 5.020 1.00 0.00 N ATOM 162 CA MET A 15 -0.063 -17.328 4.055 1.00 0.00 C ATOM 163 C MET A 15 -0.822 -16.770 2.859 1.00 0.00 C ATOM 164 O MET A 15 -0.488 -17.138 1.736 1.00 0.00 O ATOM 165 CB MET A 15 -0.842 -18.457 4.747 1.00 0.00 C ATOM 166 CG MET A 15 -0.055 -19.033 5.939 1.00 0.00 C ATOM 167 SD MET A 15 -0.484 -20.718 6.444 1.00 0.00 S ATOM 168 CE MET A 15 -2.259 -20.572 6.786 1.00 0.00 C ATOM 0 H MET A 15 -0.523 -15.829 5.434 1.00 0.00 H new ATOM 0 HA MET A 15 0.865 -17.742 3.659 1.00 0.00 H new ATOM 0 HB2 MET A 15 -1.804 -18.079 5.093 1.00 0.00 H new ATOM 0 HB3 MET A 15 -1.051 -19.250 4.029 1.00 0.00 H new ATOM 0 HG2 MET A 15 1.006 -19.010 5.692 1.00 0.00 H new ATOM 0 HG3 MET A 15 -0.198 -18.373 6.794 1.00 0.00 H new ATOM 0 HE1 MET A 15 -2.691 -21.566 6.898 1.00 0.00 H new ATOM 0 HE2 MET A 15 -2.407 -20.007 7.706 1.00 0.00 H new ATOM 0 HE3 MET A 15 -2.747 -20.055 5.960 1.00 0.00 H new ATOM 178 N VAL A 16 -1.819 -15.898 3.053 1.00 0.00 N ATOM 179 CA VAL A 16 -2.657 -15.412 1.952 1.00 0.00 C ATOM 180 C VAL A 16 -2.765 -13.876 1.953 1.00 0.00 C ATOM 181 O VAL A 16 -2.058 -13.187 2.700 1.00 0.00 O ATOM 182 CB VAL A 16 -3.992 -16.197 1.865 1.00 0.00 C ATOM 183 CG1 VAL A 16 -3.755 -17.697 1.622 1.00 0.00 C ATOM 184 CG2 VAL A 16 -4.958 -16.050 3.039 1.00 0.00 C ATOM 0 H VAL A 16 -2.065 -15.514 3.965 1.00 0.00 H new ATOM 0 HA VAL A 16 -2.167 -15.630 1.003 1.00 0.00 H new ATOM 0 HB VAL A 16 -4.480 -15.721 1.014 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -4.714 -18.213 1.567 1.00 0.00 H new ATOM 0 HG12 VAL A 16 -3.216 -17.833 0.685 1.00 0.00 H new ATOM 0 HG13 VAL A 16 -3.167 -18.110 2.442 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -5.850 -16.648 2.853 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -4.474 -16.394 3.953 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -5.240 -15.003 3.149 1.00 0.00 H new ATOM 194 N ALA A 17 -3.582 -13.333 1.052 1.00 0.00 N ATOM 195 CA ALA A 17 -3.743 -11.930 0.714 1.00 0.00 C ATOM 196 C ALA A 17 -5.218 -11.549 0.871 1.00 0.00 C ATOM 197 O ALA A 17 -6.084 -12.418 0.704 1.00 0.00 O ATOM 198 CB ALA A 17 -3.346 -11.724 -0.748 1.00 0.00 C ATOM 0 H ALA A 17 -4.201 -13.921 0.493 1.00 0.00 H new ATOM 0 HA ALA A 17 -3.120 -11.318 1.366 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -3.463 -10.673 -1.012 1.00 0.00 H new ATOM 0 HB2 ALA A 17 -2.306 -12.019 -0.888 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -3.985 -12.333 -1.388 1.00 0.00 H new ATOM 204 N PRO A 18 -5.521 -10.276 1.160 1.00 0.00 N ATOM 205 CA PRO A 18 -6.893 -9.822 1.276 1.00 0.00 C ATOM 206 C PRO A 18 -7.509 -9.715 -0.121 1.00 0.00 C ATOM 207 O PRO A 18 -6.856 -9.252 -1.061 1.00 0.00 O ATOM 208 CB PRO A 18 -6.793 -8.490 2.007 1.00 0.00 C ATOM 209 CG PRO A 18 -5.429 -7.936 1.612 1.00 0.00 C ATOM 210 CD PRO A 18 -4.589 -9.160 1.253 1.00 0.00 C ATOM 0 HA PRO A 18 -7.547 -10.499 1.826 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -7.596 -7.815 1.712 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -6.869 -8.623 3.086 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -5.511 -7.253 0.767 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -4.979 -7.376 2.432 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -4.065 -9.010 0.309 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -3.830 -9.348 2.012 1.00 0.00 H new ATOM 218 N GLY A 19 -8.755 -10.162 -0.259 1.00 0.00 N ATOM 219 CA GLY A 19 -9.489 -10.157 -1.513 1.00 0.00 C ATOM 220 C GLY A 19 -10.463 -8.991 -1.562 1.00 0.00 C ATOM 221 O GLY A 19 -10.414 -8.100 -0.711 1.00 0.00 O ATOM 0 H GLY A 19 -9.291 -10.546 0.519 1.00 0.00 H new ATOM 0 HA2 GLY A 19 -8.791 -10.090 -2.348 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -10.032 -11.095 -1.626 1.00 0.00 H new ATOM 225 N ASN A 20 -11.325 -9.000 -2.587 1.00 0.00 N ATOM 226 CA ASN A 20 -12.235 -7.913 -2.972 1.00 0.00 C ATOM 227 C ASN A 20 -11.676 -6.531 -2.630 1.00 0.00 C ATOM 228 O ASN A 20 -12.265 -5.738 -1.891 1.00 0.00 O ATOM 229 CB ASN A 20 -13.649 -8.121 -2.428 1.00 0.00 C ATOM 230 CG ASN A 20 -14.606 -7.057 -2.970 1.00 0.00 C ATOM 231 OD1 ASN A 20 -14.403 -6.506 -4.050 1.00 0.00 O ATOM 232 ND2 ASN A 20 -15.678 -6.766 -2.256 1.00 0.00 N ATOM 0 H ASN A 20 -11.411 -9.809 -3.203 1.00 0.00 H new ATOM 0 HA ASN A 20 -12.313 -7.949 -4.059 1.00 0.00 H new ATOM 0 HB2 ASN A 20 -14.007 -9.113 -2.705 1.00 0.00 H new ATOM 0 HB3 ASN A 20 -13.633 -8.081 -1.339 1.00 0.00 H new ATOM 0 HD21 ASN A 20 -16.348 -6.078 -2.599 1.00 0.00 H new ATOM 0 HD22 ASN A 20 -15.836 -7.230 -1.361 1.00 0.00 H new ATOM 239 N VAL A 21 -10.486 -6.280 -3.160 1.00 0.00 N ATOM 240 CA VAL A 21 -9.832 -5.008 -3.063 1.00 0.00 C ATOM 241 C VAL A 21 -10.606 -4.071 -3.964 1.00 0.00 C ATOM 242 O VAL A 21 -10.750 -4.295 -5.170 1.00 0.00 O ATOM 243 CB VAL A 21 -8.350 -5.125 -3.421 1.00 0.00 C ATOM 244 CG1 VAL A 21 -7.651 -3.774 -3.244 1.00 0.00 C ATOM 245 CG2 VAL A 21 -7.698 -6.127 -2.464 1.00 0.00 C ATOM 0 H VAL A 21 -9.949 -6.977 -3.676 1.00 0.00 H new ATOM 0 HA VAL A 21 -9.834 -4.617 -2.045 1.00 0.00 H new ATOM 0 HB VAL A 21 -8.257 -5.449 -4.458 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -6.597 -3.873 -3.503 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -8.117 -3.035 -3.896 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -7.741 -3.451 -2.207 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -6.639 -6.224 -2.704 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -7.806 -5.774 -1.438 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.184 -7.097 -2.567 1.00 0.00 H new ATOM 255 N ARG A 22 -11.099 -3.010 -3.349 1.00 0.00 N ATOM 256 CA ARG A 22 -11.882 -1.971 -3.985 1.00 0.00 C ATOM 257 C ARG A 22 -11.333 -0.637 -3.537 1.00 0.00 C ATOM 258 O ARG A 22 -10.700 -0.544 -2.495 1.00 0.00 O ATOM 259 CB ARG A 22 -13.359 -2.161 -3.623 1.00 0.00 C ATOM 260 CG ARG A 22 -13.725 -2.020 -2.162 1.00 0.00 C ATOM 261 CD ARG A 22 -15.152 -2.518 -1.931 1.00 0.00 C ATOM 262 NE ARG A 22 -15.737 -1.940 -0.712 1.00 0.00 N ATOM 263 CZ ARG A 22 -16.201 -2.607 0.348 1.00 0.00 C ATOM 264 NH1 ARG A 22 -16.005 -3.916 0.479 1.00 0.00 N ATOM 265 NH2 ARG A 22 -16.876 -1.965 1.289 1.00 0.00 N ATOM 0 H ARG A 22 -10.958 -2.845 -2.353 1.00 0.00 H new ATOM 0 HA ARG A 22 -11.815 -2.018 -5.072 1.00 0.00 H new ATOM 0 HB2 ARG A 22 -13.944 -1.438 -4.191 1.00 0.00 H new ATOM 0 HB3 ARG A 22 -13.666 -3.152 -3.956 1.00 0.00 H new ATOM 0 HG2 ARG A 22 -13.028 -2.590 -1.547 1.00 0.00 H new ATOM 0 HG3 ARG A 22 -13.641 -0.977 -1.856 1.00 0.00 H new ATOM 0 HD2 ARG A 22 -15.771 -2.260 -2.790 1.00 0.00 H new ATOM 0 HD3 ARG A 22 -15.150 -3.605 -1.854 1.00 0.00 H new ATOM 0 HE ARG A 22 -15.794 -0.922 -0.672 1.00 0.00 H new ATOM 0 HH11 ARG A 22 -15.492 -4.429 -0.238 1.00 0.00 H new ATOM 0 HH12 ARG A 22 -16.368 -4.407 1.296 1.00 0.00 H new ATOM 0 HH21 ARG A 22 -17.041 -0.962 1.204 1.00 0.00 H new ATOM 0 HH22 ARG A 22 -17.231 -2.473 2.099 1.00 0.00 H new ATOM 279 N VAL A 23 -11.523 0.406 -4.325 1.00 0.00 N ATOM 280 CA VAL A 23 -11.081 1.740 -3.963 1.00 0.00 C ATOM 281 C VAL A 23 -12.075 2.738 -4.531 1.00 0.00 C ATOM 282 O VAL A 23 -12.636 2.517 -5.612 1.00 0.00 O ATOM 283 CB VAL A 23 -9.600 1.934 -4.380 1.00 0.00 C ATOM 284 CG1 VAL A 23 -9.132 0.987 -5.493 1.00 0.00 C ATOM 285 CG2 VAL A 23 -9.159 3.371 -4.688 1.00 0.00 C ATOM 0 H VAL A 23 -11.987 0.352 -5.232 1.00 0.00 H new ATOM 0 HA VAL A 23 -11.076 1.905 -2.886 1.00 0.00 H new ATOM 0 HB VAL A 23 -9.090 1.661 -3.456 1.00 0.00 H new ATOM 0 HG11 VAL A 23 -8.086 1.188 -5.726 1.00 0.00 H new ATOM 0 HG12 VAL A 23 -9.238 -0.046 -5.161 1.00 0.00 H new ATOM 0 HG13 VAL A 23 -9.739 1.145 -6.385 1.00 0.00 H new ATOM 0 HG21 VAL A 23 -8.105 3.376 -4.967 1.00 0.00 H new ATOM 0 HG22 VAL A 23 -9.754 3.766 -5.511 1.00 0.00 H new ATOM 0 HG23 VAL A 23 -9.304 3.993 -3.805 1.00 0.00 H new ATOM 295 N ASN A 24 -12.281 3.827 -3.804 1.00 0.00 N ATOM 296 CA ASN A 24 -13.051 4.994 -4.191 1.00 0.00 C ATOM 297 C ASN A 24 -12.110 6.164 -4.054 1.00 0.00 C ATOM 298 O ASN A 24 -11.515 6.327 -2.991 1.00 0.00 O ATOM 299 CB ASN A 24 -14.253 5.262 -3.264 1.00 0.00 C ATOM 300 CG ASN A 24 -14.599 4.155 -2.284 1.00 0.00 C ATOM 301 OD1 ASN A 24 -15.166 3.126 -2.656 1.00 0.00 O ATOM 302 ND2 ASN A 24 -14.252 4.332 -1.025 1.00 0.00 N ATOM 0 H ASN A 24 -11.888 3.922 -2.868 1.00 0.00 H new ATOM 0 HA ASN A 24 -13.444 4.842 -5.196 1.00 0.00 H new ATOM 0 HB2 ASN A 24 -14.054 6.172 -2.698 1.00 0.00 H new ATOM 0 HB3 ASN A 24 -15.128 5.458 -3.884 1.00 0.00 H new ATOM 0 HD21 ASN A 24 -14.452 3.608 -0.334 1.00 0.00 H new ATOM 0 HD22 ASN A 24 -13.784 5.192 -0.741 1.00 0.00 H new ATOM 309 N VAL A 25 -11.990 7.012 -5.062 1.00 0.00 N ATOM 310 CA VAL A 25 -11.436 8.328 -4.812 1.00 0.00 C ATOM 311 C VAL A 25 -12.437 9.115 -3.960 1.00 0.00 C ATOM 312 O VAL A 25 -13.646 8.869 -3.985 1.00 0.00 O ATOM 313 CB VAL A 25 -10.983 8.987 -6.118 1.00 0.00 C ATOM 314 CG1 VAL A 25 -10.311 10.330 -5.831 1.00 0.00 C ATOM 315 CG2 VAL A 25 -9.954 8.064 -6.792 1.00 0.00 C ATOM 0 H VAL A 25 -12.258 6.822 -6.027 1.00 0.00 H new ATOM 0 HA VAL A 25 -10.516 8.283 -4.229 1.00 0.00 H new ATOM 0 HB VAL A 25 -11.849 9.149 -6.760 1.00 0.00 H new ATOM 0 HG11 VAL A 25 -9.994 10.786 -6.769 1.00 0.00 H new ATOM 0 HG12 VAL A 25 -11.017 10.990 -5.327 1.00 0.00 H new ATOM 0 HG13 VAL A 25 -9.442 10.173 -5.192 1.00 0.00 H new ATOM 0 HG21 VAL A 25 -9.617 8.515 -7.726 1.00 0.00 H new ATOM 0 HG22 VAL A 25 -9.101 7.924 -6.128 1.00 0.00 H new ATOM 0 HG23 VAL A 25 -10.413 7.098 -7.001 1.00 0.00 H new ATOM 325 N VAL A 26 -11.903 10.023 -3.152 1.00 0.00 N ATOM 326 CA VAL A 26 -12.591 10.746 -2.105 1.00 0.00 C ATOM 327 C VAL A 26 -12.511 12.212 -2.545 1.00 0.00 C ATOM 328 O VAL A 26 -13.442 12.719 -3.179 1.00 0.00 O ATOM 329 CB VAL A 26 -11.938 10.350 -0.751 1.00 0.00 C ATOM 330 CG1 VAL A 26 -12.290 11.279 0.411 1.00 0.00 C ATOM 331 CG2 VAL A 26 -12.292 8.894 -0.371 1.00 0.00 C ATOM 0 H VAL A 26 -10.920 10.285 -3.219 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.646 10.521 -1.949 1.00 0.00 H new ATOM 0 HB VAL A 26 -10.865 10.447 -0.916 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -11.794 10.932 1.317 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -11.958 12.291 0.181 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -13.369 11.277 0.564 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.823 8.642 0.580 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -13.374 8.794 -0.280 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -11.929 8.218 -1.145 1.00 0.00 H new ATOM 341 N ASN A 27 -11.360 12.851 -2.346 1.00 0.00 N ATOM 342 CA ASN A 27 -11.081 14.211 -2.802 1.00 0.00 C ATOM 343 C ASN A 27 -10.192 14.139 -4.046 1.00 0.00 C ATOM 344 O ASN A 27 -9.770 13.057 -4.445 1.00 0.00 O ATOM 345 CB ASN A 27 -10.370 15.020 -1.712 1.00 0.00 C ATOM 346 CG ASN A 27 -11.063 15.085 -0.358 1.00 0.00 C ATOM 347 OD1 ASN A 27 -12.274 14.965 -0.211 1.00 0.00 O ATOM 348 ND2 ASN A 27 -10.277 15.307 0.675 1.00 0.00 N ATOM 0 H ASN A 27 -10.576 12.427 -1.851 1.00 0.00 H new ATOM 0 HA ASN A 27 -12.023 14.707 -3.034 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -9.375 14.598 -1.567 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -10.234 16.038 -2.076 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -10.674 15.381 1.612 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -9.271 15.405 0.539 1.00 0.00 H new ATOM 355 N SER A 28 -9.807 15.274 -4.634 1.00 0.00 N ATOM 356 CA SER A 28 -8.905 15.260 -5.792 1.00 0.00 C ATOM 357 C SER A 28 -7.511 14.691 -5.476 1.00 0.00 C ATOM 358 O SER A 28 -6.799 14.333 -6.411 1.00 0.00 O ATOM 359 CB SER A 28 -8.803 16.640 -6.465 1.00 0.00 C ATOM 360 OG SER A 28 -9.471 17.664 -5.753 1.00 0.00 O ATOM 0 H SER A 28 -10.100 16.204 -4.334 1.00 0.00 H new ATOM 0 HA SER A 28 -9.363 14.574 -6.504 1.00 0.00 H new ATOM 0 HB2 SER A 28 -7.752 16.908 -6.570 1.00 0.00 H new ATOM 0 HB3 SER A 28 -9.218 16.577 -7.471 1.00 0.00 H new ATOM 0 HG SER A 28 -9.870 18.297 -6.387 1.00 0.00 H new ATOM 366 N THR A 29 -7.113 14.608 -4.203 1.00 0.00 N ATOM 367 CA THR A 29 -5.784 14.170 -3.767 1.00 0.00 C ATOM 368 C THR A 29 -5.845 13.160 -2.617 1.00 0.00 C ATOM 369 O THR A 29 -4.817 12.848 -2.006 1.00 0.00 O ATOM 370 CB THR A 29 -4.960 15.404 -3.385 1.00 0.00 C ATOM 371 OG1 THR A 29 -5.615 16.149 -2.371 1.00 0.00 O ATOM 372 CG2 THR A 29 -4.744 16.295 -4.601 1.00 0.00 C ATOM 0 H THR A 29 -7.725 14.851 -3.424 1.00 0.00 H new ATOM 0 HA THR A 29 -5.303 13.647 -4.593 1.00 0.00 H new ATOM 0 HB THR A 29 -3.995 15.061 -3.011 1.00 0.00 H new ATOM 0 HG1 THR A 29 -5.073 16.932 -2.139 1.00 0.00 H new ATOM 0 HG21 THR A 29 -4.157 17.167 -4.313 1.00 0.00 H new ATOM 0 HG22 THR A 29 -4.211 15.737 -5.371 1.00 0.00 H new ATOM 0 HG23 THR A 29 -5.709 16.619 -4.990 1.00 0.00 H new ATOM 380 N LEU A 30 -7.047 12.663 -2.315 1.00 0.00 N ATOM 381 CA LEU A 30 -7.325 11.673 -1.299 1.00 0.00 C ATOM 382 C LEU A 30 -8.192 10.598 -1.932 1.00 0.00 C ATOM 383 O LEU A 30 -9.203 10.931 -2.545 1.00 0.00 O ATOM 384 CB LEU A 30 -8.061 12.356 -0.142 1.00 0.00 C ATOM 385 CG LEU A 30 -8.404 11.426 1.030 1.00 0.00 C ATOM 386 CD1 LEU A 30 -7.145 10.775 1.597 1.00 0.00 C ATOM 387 CD2 LEU A 30 -9.086 12.289 2.092 1.00 0.00 C ATOM 0 H LEU A 30 -7.890 12.963 -2.805 1.00 0.00 H new ATOM 0 HA LEU A 30 -6.411 11.223 -0.911 1.00 0.00 H new ATOM 0 HB2 LEU A 30 -7.447 13.176 0.229 1.00 0.00 H new ATOM 0 HB3 LEU A 30 -8.983 12.795 -0.523 1.00 0.00 H new ATOM 0 HG LEU A 30 -9.058 10.618 0.702 1.00 0.00 H new ATOM 0 HD11 LEU A 30 -7.415 10.121 2.426 1.00 0.00 H new ATOM 0 HD12 LEU A 30 -6.656 10.190 0.818 1.00 0.00 H new ATOM 0 HD13 LEU A 30 -6.464 11.548 1.952 1.00 0.00 H new ATOM 0 HD21 LEU A 30 -9.350 11.670 2.949 1.00 0.00 H new ATOM 0 HD22 LEU A 30 -8.406 13.079 2.411 1.00 0.00 H new ATOM 0 HD23 LEU A 30 -9.989 12.734 1.674 1.00 0.00 H new ATOM 399 N ALA A 31 -7.859 9.328 -1.741 1.00 0.00 N ATOM 400 CA ALA A 31 -8.737 8.207 -2.053 1.00 0.00 C ATOM 401 C ALA A 31 -8.849 7.306 -0.825 1.00 0.00 C ATOM 402 O ALA A 31 -8.086 7.471 0.127 1.00 0.00 O ATOM 403 CB ALA A 31 -8.202 7.473 -3.287 1.00 0.00 C ATOM 0 H ALA A 31 -6.957 9.043 -1.359 1.00 0.00 H new ATOM 0 HA ALA A 31 -9.742 8.550 -2.297 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -8.856 6.634 -3.523 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -8.171 8.159 -4.134 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -7.197 7.103 -3.083 1.00 0.00 H new ATOM 409 N GLU A 32 -9.776 6.353 -0.842 1.00 0.00 N ATOM 410 CA GLU A 32 -9.968 5.346 0.185 1.00 0.00 C ATOM 411 C GLU A 32 -9.941 3.980 -0.505 1.00 0.00 C ATOM 412 O GLU A 32 -10.555 3.796 -1.555 1.00 0.00 O ATOM 413 CB GLU A 32 -11.259 5.649 0.967 1.00 0.00 C ATOM 414 CG GLU A 32 -11.833 4.398 1.625 1.00 0.00 C ATOM 415 CD GLU A 32 -12.880 4.679 2.696 1.00 0.00 C ATOM 416 OE1 GLU A 32 -12.522 4.804 3.892 1.00 0.00 O ATOM 417 OE2 GLU A 32 -14.090 4.660 2.379 1.00 0.00 O ATOM 0 H GLU A 32 -10.442 6.261 -1.609 1.00 0.00 H new ATOM 0 HA GLU A 32 -9.176 5.348 0.934 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.053 6.399 1.731 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -12.000 6.077 0.292 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -12.278 3.768 0.855 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -11.017 3.829 2.071 1.00 0.00 H new ATOM 424 N VAL A 33 -9.234 3.019 0.085 1.00 0.00 N ATOM 425 CA VAL A 33 -9.134 1.644 -0.368 1.00 0.00 C ATOM 426 C VAL A 33 -9.866 0.787 0.662 1.00 0.00 C ATOM 427 O VAL A 33 -9.845 1.100 1.852 1.00 0.00 O ATOM 428 CB VAL A 33 -7.650 1.241 -0.492 1.00 0.00 C ATOM 429 CG1 VAL A 33 -7.525 -0.128 -1.164 1.00 0.00 C ATOM 430 CG2 VAL A 33 -6.824 2.235 -1.321 1.00 0.00 C ATOM 0 H VAL A 33 -8.692 3.192 0.931 1.00 0.00 H new ATOM 0 HA VAL A 33 -9.583 1.508 -1.352 1.00 0.00 H new ATOM 0 HB VAL A 33 -7.262 1.225 0.527 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -6.472 -0.399 -1.245 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -8.047 -0.875 -0.567 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -7.966 -0.086 -2.160 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -5.789 1.896 -1.371 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -7.234 2.298 -2.329 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -6.861 3.218 -0.852 1.00 0.00 H new ATOM 440 N HIS A 34 -10.469 -0.306 0.211 1.00 0.00 N ATOM 441 CA HIS A 34 -11.199 -1.284 1.003 1.00 0.00 C ATOM 442 C HIS A 34 -10.754 -2.680 0.585 1.00 0.00 C ATOM 443 O HIS A 34 -10.329 -2.862 -0.559 1.00 0.00 O ATOM 444 CB HIS A 34 -12.704 -1.101 0.755 1.00 0.00 C ATOM 445 CG HIS A 34 -13.401 -0.512 1.945 1.00 0.00 C ATOM 446 ND1 HIS A 34 -13.853 -1.211 3.041 1.00 0.00 N ATOM 447 CD2 HIS A 34 -13.590 0.821 2.183 1.00 0.00 C ATOM 448 CE1 HIS A 34 -14.284 -0.314 3.935 1.00 0.00 C ATOM 449 NE2 HIS A 34 -14.165 0.940 3.457 1.00 0.00 N ATOM 0 H HIS A 34 -10.460 -0.547 -0.780 1.00 0.00 H new ATOM 0 HA HIS A 34 -10.998 -1.149 2.066 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -12.853 -0.454 -0.110 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -13.152 -2.065 0.513 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -13.342 1.632 1.514 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -14.675 -0.562 4.911 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -14.438 1.803 3.927 1.00 0.00 H new ATOM 457 N TRP A 35 -10.879 -3.663 1.477 1.00 0.00 N ATOM 458 CA TRP A 35 -10.578 -5.061 1.177 1.00 0.00 C ATOM 459 C TRP A 35 -11.295 -6.008 2.147 1.00 0.00 C ATOM 460 O TRP A 35 -11.902 -5.575 3.132 1.00 0.00 O ATOM 461 CB TRP A 35 -9.060 -5.267 1.223 1.00 0.00 C ATOM 462 CG TRP A 35 -8.398 -4.882 2.512 1.00 0.00 C ATOM 463 CD1 TRP A 35 -8.364 -5.622 3.644 1.00 0.00 C ATOM 464 CD2 TRP A 35 -7.734 -3.625 2.837 1.00 0.00 C ATOM 465 NE1 TRP A 35 -7.744 -4.901 4.643 1.00 0.00 N ATOM 466 CE2 TRP A 35 -7.323 -3.672 4.197 1.00 0.00 C ATOM 467 CE3 TRP A 35 -7.469 -2.434 2.131 1.00 0.00 C ATOM 468 CZ2 TRP A 35 -6.675 -2.605 4.828 1.00 0.00 C ATOM 469 CZ3 TRP A 35 -6.801 -1.359 2.744 1.00 0.00 C ATOM 470 CH2 TRP A 35 -6.382 -1.451 4.084 1.00 0.00 C ATOM 0 H TRP A 35 -11.194 -3.509 2.435 1.00 0.00 H new ATOM 0 HA TRP A 35 -10.943 -5.297 0.177 1.00 0.00 H new ATOM 0 HB2 TRP A 35 -8.847 -6.317 1.024 1.00 0.00 H new ATOM 0 HB3 TRP A 35 -8.608 -4.691 0.416 1.00 0.00 H new ATOM 0 HD1 TRP A 35 -8.760 -6.621 3.749 1.00 0.00 H new ATOM 0 HE1 TRP A 35 -7.614 -5.239 5.597 1.00 0.00 H new ATOM 0 HE3 TRP A 35 -7.784 -2.346 1.102 1.00 0.00 H new ATOM 0 HZ2 TRP A 35 -6.404 -2.668 5.872 1.00 0.00 H new ATOM 0 HZ3 TRP A 35 -6.608 -0.457 2.182 1.00 0.00 H new ATOM 0 HH2 TRP A 35 -5.837 -0.637 4.539 1.00 0.00 H new ATOM 481 N ASP A 36 -11.245 -7.311 1.872 1.00 0.00 N ATOM 482 CA ASP A 36 -11.776 -8.385 2.713 1.00 0.00 C ATOM 483 C ASP A 36 -10.765 -8.798 3.798 1.00 0.00 C ATOM 484 O ASP A 36 -9.569 -8.885 3.509 1.00 0.00 O ATOM 485 CB ASP A 36 -12.232 -9.577 1.850 1.00 0.00 C ATOM 486 CG ASP A 36 -11.598 -10.917 2.236 1.00 0.00 C ATOM 487 OD1 ASP A 36 -12.108 -11.557 3.181 1.00 0.00 O ATOM 488 OD2 ASP A 36 -10.646 -11.365 1.549 1.00 0.00 O ATOM 0 H ASP A 36 -10.813 -7.663 1.018 1.00 0.00 H new ATOM 0 HA ASP A 36 -12.656 -8.010 3.236 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -13.316 -9.668 1.921 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -11.998 -9.365 0.807 1.00 0.00 H new ATOM 493 N PRO A 37 -11.213 -9.024 5.045 1.00 0.00 N ATOM 494 CA PRO A 37 -10.360 -9.442 6.146 1.00 0.00 C ATOM 495 C PRO A 37 -9.959 -10.911 6.004 1.00 0.00 C ATOM 496 O PRO A 37 -10.782 -11.813 6.171 1.00 0.00 O ATOM 497 CB PRO A 37 -11.183 -9.209 7.416 1.00 0.00 C ATOM 498 CG PRO A 37 -12.624 -9.377 6.940 1.00 0.00 C ATOM 499 CD PRO A 37 -12.590 -8.887 5.495 1.00 0.00 C ATOM 0 HA PRO A 37 -9.427 -8.878 6.168 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -10.931 -9.928 8.196 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -11.010 -8.216 7.830 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -12.947 -10.416 7.002 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -13.316 -8.791 7.545 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -13.263 -9.475 4.870 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -12.918 -7.850 5.429 1.00 0.00 H new ATOM 507 N VAL A 38 -8.674 -11.162 5.765 1.00 0.00 N ATOM 508 CA VAL A 38 -8.133 -12.519 5.823 1.00 0.00 C ATOM 509 C VAL A 38 -8.231 -13.082 7.260 1.00 0.00 C ATOM 510 O VAL A 38 -8.351 -12.301 8.214 1.00 0.00 O ATOM 511 CB VAL A 38 -6.699 -12.542 5.272 1.00 0.00 C ATOM 512 CG1 VAL A 38 -6.620 -12.081 3.824 1.00 0.00 C ATOM 513 CG2 VAL A 38 -5.741 -11.654 6.050 1.00 0.00 C ATOM 0 H VAL A 38 -7.988 -10.445 5.530 1.00 0.00 H new ATOM 0 HA VAL A 38 -8.730 -13.175 5.189 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.408 -13.588 5.366 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -5.584 -12.117 3.487 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -7.228 -12.736 3.200 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -6.991 -11.059 3.747 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -4.746 -11.717 5.608 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -6.090 -10.622 6.013 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -5.699 -11.986 7.087 1.00 0.00 H new ATOM 523 N PRO A 39 -8.201 -14.413 7.442 1.00 0.00 N ATOM 524 CA PRO A 39 -8.453 -15.056 8.724 1.00 0.00 C ATOM 525 C PRO A 39 -7.207 -15.099 9.605 1.00 0.00 C ATOM 526 O PRO A 39 -6.073 -15.065 9.124 1.00 0.00 O ATOM 527 CB PRO A 39 -8.938 -16.464 8.373 1.00 0.00 C ATOM 528 CG PRO A 39 -8.268 -16.763 7.037 1.00 0.00 C ATOM 529 CD PRO A 39 -8.062 -15.398 6.388 1.00 0.00 C ATOM 0 HA PRO A 39 -9.188 -14.501 9.307 1.00 0.00 H new ATOM 0 HB2 PRO A 39 -8.649 -17.187 9.135 1.00 0.00 H new ATOM 0 HB3 PRO A 39 -10.024 -16.503 8.292 1.00 0.00 H new ATOM 0 HG2 PRO A 39 -7.319 -17.281 7.178 1.00 0.00 H new ATOM 0 HG3 PRO A 39 -8.893 -17.405 6.417 1.00 0.00 H new ATOM 0 HD2 PRO A 39 -7.077 -15.334 5.925 1.00 0.00 H new ATOM 0 HD3 PRO A 39 -8.796 -15.229 5.600 1.00 0.00 H new ATOM 537 N LEU A 40 -7.403 -15.290 10.912 1.00 0.00 N ATOM 538 CA LEU A 40 -6.288 -15.354 11.855 1.00 0.00 C ATOM 539 C LEU A 40 -5.338 -16.522 11.575 1.00 0.00 C ATOM 540 O LEU A 40 -4.148 -16.436 11.891 1.00 0.00 O ATOM 541 CB LEU A 40 -6.775 -15.310 13.301 1.00 0.00 C ATOM 542 CG LEU A 40 -6.318 -13.971 13.914 1.00 0.00 C ATOM 543 CD1 LEU A 40 -7.293 -13.570 14.990 1.00 0.00 C ATOM 544 CD2 LEU A 40 -4.887 -14.045 14.448 1.00 0.00 C ATOM 0 H LEU A 40 -8.322 -15.403 11.339 1.00 0.00 H new ATOM 0 HA LEU A 40 -5.688 -14.457 11.700 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -7.861 -15.397 13.341 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -6.367 -16.148 13.867 1.00 0.00 H new ATOM 0 HG LEU A 40 -6.309 -13.209 13.134 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -6.979 -12.624 15.431 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -8.287 -13.457 14.557 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -7.319 -14.339 15.762 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -4.606 -13.080 14.871 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -4.826 -14.811 15.221 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -4.207 -14.296 13.634 1.00 0.00 H new ATOM 556 N LYS A 41 -5.820 -17.596 10.935 1.00 0.00 N ATOM 557 CA LYS A 41 -4.943 -18.651 10.438 1.00 0.00 C ATOM 558 C LYS A 41 -3.955 -18.120 9.418 1.00 0.00 C ATOM 559 O LYS A 41 -2.773 -18.408 9.562 1.00 0.00 O ATOM 560 CB LYS A 41 -5.726 -19.821 9.833 1.00 0.00 C ATOM 561 CG LYS A 41 -6.106 -20.812 10.932 1.00 0.00 C ATOM 562 CD LYS A 41 -6.743 -22.063 10.324 1.00 0.00 C ATOM 563 CE LYS A 41 -6.983 -23.161 11.362 1.00 0.00 C ATOM 564 NZ LYS A 41 -7.827 -22.697 12.479 1.00 0.00 N ATOM 0 H LYS A 41 -6.811 -17.752 10.752 1.00 0.00 H new ATOM 0 HA LYS A 41 -4.394 -19.020 11.304 1.00 0.00 H new ATOM 0 HB2 LYS A 41 -6.624 -19.452 9.337 1.00 0.00 H new ATOM 0 HB3 LYS A 41 -5.124 -20.319 9.073 1.00 0.00 H new ATOM 0 HG2 LYS A 41 -5.220 -21.088 11.504 1.00 0.00 H new ATOM 0 HG3 LYS A 41 -6.802 -20.344 11.628 1.00 0.00 H new ATOM 0 HD2 LYS A 41 -7.691 -21.794 9.858 1.00 0.00 H new ATOM 0 HD3 LYS A 41 -6.098 -22.448 9.535 1.00 0.00 H new ATOM 0 HE2 LYS A 41 -7.458 -24.016 10.881 1.00 0.00 H new ATOM 0 HE3 LYS A 41 -6.025 -23.506 11.752 1.00 0.00 H new ATOM 0 HZ1 LYS A 41 -8.061 -23.502 13.095 1.00 0.00 H new ATOM 0 HZ2 LYS A 41 -7.312 -21.979 13.028 1.00 0.00 H new ATOM 0 HZ3 LYS A 41 -8.704 -22.283 12.103 1.00 0.00 H new ATOM 578 N SER A 42 -4.389 -17.370 8.400 1.00 0.00 N ATOM 579 CA SER A 42 -3.459 -16.968 7.352 1.00 0.00 C ATOM 580 C SER A 42 -2.393 -16.005 7.886 1.00 0.00 C ATOM 581 O SER A 42 -1.314 -15.911 7.305 1.00 0.00 O ATOM 582 CB SER A 42 -4.213 -16.395 6.159 1.00 0.00 C ATOM 583 OG SER A 42 -4.681 -15.097 6.412 1.00 0.00 O ATOM 0 H SER A 42 -5.347 -17.040 8.284 1.00 0.00 H new ATOM 0 HA SER A 42 -2.927 -17.854 7.006 1.00 0.00 H new ATOM 0 HB2 SER A 42 -3.558 -16.382 5.288 1.00 0.00 H new ATOM 0 HB3 SER A 42 -5.055 -17.044 5.915 1.00 0.00 H new ATOM 0 HG SER A 42 -5.118 -15.072 7.289 1.00 0.00 H new ATOM 589 N ILE A 43 -2.677 -15.294 8.982 1.00 0.00 N ATOM 590 CA ILE A 43 -1.704 -14.472 9.683 1.00 0.00 C ATOM 591 C ILE A 43 -0.626 -15.353 10.340 1.00 0.00 C ATOM 592 O ILE A 43 0.512 -14.900 10.434 1.00 0.00 O ATOM 593 CB ILE A 43 -2.429 -13.555 10.701 1.00 0.00 C ATOM 594 CG1 ILE A 43 -3.405 -12.590 9.979 1.00 0.00 C ATOM 595 CG2 ILE A 43 -1.407 -12.730 11.507 1.00 0.00 C ATOM 596 CD1 ILE A 43 -4.390 -11.855 10.902 1.00 0.00 C ATOM 0 H ILE A 43 -3.604 -15.278 9.407 1.00 0.00 H new ATOM 0 HA ILE A 43 -1.188 -13.827 8.972 1.00 0.00 H new ATOM 0 HB ILE A 43 -2.996 -14.194 11.378 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -2.822 -11.850 9.431 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -3.974 -13.157 9.242 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -1.933 -12.092 12.217 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -0.742 -13.403 12.048 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -0.822 -12.111 10.827 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -5.030 -11.204 10.306 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -5.005 -12.583 11.432 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -3.835 -11.256 11.624 1.00 0.00 H new ATOM 608 N ARG A 44 -0.948 -16.570 10.804 1.00 0.00 N ATOM 609 CA ARG A 44 -0.067 -17.440 11.598 1.00 0.00 C ATOM 610 C ARG A 44 0.633 -16.713 12.761 1.00 0.00 C ATOM 611 O ARG A 44 1.737 -17.106 13.158 1.00 0.00 O ATOM 612 CB ARG A 44 0.903 -18.220 10.682 1.00 0.00 C ATOM 613 CG ARG A 44 0.247 -19.489 10.108 1.00 0.00 C ATOM 614 CD ARG A 44 1.264 -20.601 9.832 1.00 0.00 C ATOM 615 NE ARG A 44 1.888 -21.121 11.070 1.00 0.00 N ATOM 616 CZ ARG A 44 2.063 -22.396 11.441 1.00 0.00 C ATOM 617 NH1 ARG A 44 1.676 -23.392 10.658 1.00 0.00 N ATOM 618 NH2 ARG A 44 2.629 -22.681 12.608 1.00 0.00 N ATOM 0 H ARG A 44 -1.861 -16.990 10.631 1.00 0.00 H new ATOM 0 HA ARG A 44 -0.702 -18.174 12.094 1.00 0.00 H new ATOM 0 HB2 ARG A 44 1.228 -17.577 9.864 1.00 0.00 H new ATOM 0 HB3 ARG A 44 1.795 -18.494 11.246 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -0.505 -19.854 10.808 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -0.273 -19.239 9.183 1.00 0.00 H new ATOM 0 HD2 ARG A 44 0.770 -21.419 9.307 1.00 0.00 H new ATOM 0 HD3 ARG A 44 2.042 -20.221 9.169 1.00 0.00 H new ATOM 0 HE ARG A 44 2.229 -20.417 11.725 1.00 0.00 H new ATOM 0 HH11 ARG A 44 1.238 -23.193 9.759 1.00 0.00 H new ATOM 0 HH12 ARG A 44 1.816 -24.358 10.954 1.00 0.00 H new ATOM 0 HH21 ARG A 44 2.932 -21.928 13.225 1.00 0.00 H new ATOM 0 HH22 ARG A 44 2.761 -23.653 12.887 1.00 0.00 H new ATOM 632 N GLY A 45 0.029 -15.676 13.349 1.00 0.00 N ATOM 633 CA GLY A 45 0.752 -14.855 14.303 1.00 0.00 C ATOM 634 C GLY A 45 0.023 -13.589 14.688 1.00 0.00 C ATOM 635 O GLY A 45 -1.208 -13.554 14.719 1.00 0.00 O ATOM 0 H GLY A 45 -0.937 -15.396 13.182 1.00 0.00 H new ATOM 0 HA2 GLY A 45 0.944 -15.441 15.202 1.00 0.00 H new ATOM 0 HA3 GLY A 45 1.722 -14.592 13.881 1.00 0.00 H new ATOM 639 N HIS A 46 0.816 -12.563 14.984 1.00 0.00 N ATOM 640 CA HIS A 46 0.383 -11.201 15.218 1.00 0.00 C ATOM 641 C HIS A 46 0.643 -10.404 13.947 1.00 0.00 C ATOM 642 O HIS A 46 1.787 -10.192 13.528 1.00 0.00 O ATOM 643 CB HIS A 46 1.126 -10.632 16.428 1.00 0.00 C ATOM 644 CG HIS A 46 1.153 -9.130 16.521 1.00 0.00 C ATOM 645 ND1 HIS A 46 2.275 -8.388 16.807 1.00 0.00 N ATOM 646 CD2 HIS A 46 0.110 -8.261 16.336 1.00 0.00 C ATOM 647 CE1 HIS A 46 1.925 -7.095 16.798 1.00 0.00 C ATOM 648 NE2 HIS A 46 0.610 -6.973 16.553 1.00 0.00 N ATOM 0 H HIS A 46 1.827 -12.671 15.070 1.00 0.00 H new ATOM 0 HA HIS A 46 -0.682 -11.151 15.447 1.00 0.00 H new ATOM 0 HB2 HIS A 46 0.666 -11.027 17.334 1.00 0.00 H new ATOM 0 HB3 HIS A 46 2.153 -10.996 16.407 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -0.905 -8.521 16.073 1.00 0.00 H new ATOM 0 HE1 HIS A 46 2.602 -6.270 16.964 1.00 0.00 H new ATOM 0 HE2 HIS A 46 0.076 -6.104 16.530 1.00 0.00 H new ATOM 656 N LEU A 47 -0.457 -10.009 13.321 1.00 0.00 N ATOM 657 CA LEU A 47 -0.524 -9.143 12.169 1.00 0.00 C ATOM 658 C LEU A 47 -0.030 -7.758 12.559 1.00 0.00 C ATOM 659 O LEU A 47 -0.598 -7.107 13.429 1.00 0.00 O ATOM 660 CB LEU A 47 -1.984 -9.130 11.702 1.00 0.00 C ATOM 661 CG LEU A 47 -2.288 -8.366 10.415 1.00 0.00 C ATOM 662 CD1 LEU A 47 -2.455 -6.869 10.644 1.00 0.00 C ATOM 663 CD2 LEU A 47 -1.411 -8.779 9.237 1.00 0.00 C ATOM 0 H LEU A 47 -1.382 -10.308 13.630 1.00 0.00 H new ATOM 0 HA LEU A 47 0.109 -9.490 11.352 1.00 0.00 H new ATOM 0 HB2 LEU A 47 -2.307 -10.162 11.569 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -2.593 -8.706 12.501 1.00 0.00 H new ATOM 0 HG LEU A 47 -3.278 -8.681 10.086 1.00 0.00 H new ATOM 0 HD11 LEU A 47 -2.669 -6.377 9.695 1.00 0.00 H new ATOM 0 HD12 LEU A 47 -3.279 -6.697 11.336 1.00 0.00 H new ATOM 0 HD13 LEU A 47 -1.536 -6.461 11.065 1.00 0.00 H new ATOM 0 HD21 LEU A 47 -1.684 -8.195 8.358 1.00 0.00 H new ATOM 0 HD22 LEU A 47 -0.364 -8.599 9.482 1.00 0.00 H new ATOM 0 HD23 LEU A 47 -1.558 -9.839 9.028 1.00 0.00 H new ATOM 675 N GLN A 48 1.003 -7.294 11.867 1.00 0.00 N ATOM 676 CA GLN A 48 1.587 -5.979 12.071 1.00 0.00 C ATOM 677 C GLN A 48 0.754 -4.919 11.345 1.00 0.00 C ATOM 678 O GLN A 48 0.537 -3.838 11.891 1.00 0.00 O ATOM 679 CB GLN A 48 3.035 -5.972 11.559 1.00 0.00 C ATOM 680 CG GLN A 48 3.995 -6.827 12.400 1.00 0.00 C ATOM 681 CD GLN A 48 4.264 -6.289 13.803 1.00 0.00 C ATOM 682 OE1 GLN A 48 4.242 -5.092 14.063 1.00 0.00 O ATOM 683 NE2 GLN A 48 4.562 -7.169 14.741 1.00 0.00 N ATOM 0 H GLN A 48 1.465 -7.833 11.135 1.00 0.00 H new ATOM 0 HA GLN A 48 1.590 -5.745 13.136 1.00 0.00 H new ATOM 0 HB2 GLN A 48 3.048 -6.333 10.531 1.00 0.00 H new ATOM 0 HB3 GLN A 48 3.399 -4.945 11.541 1.00 0.00 H new ATOM 0 HG2 GLN A 48 3.585 -7.834 12.484 1.00 0.00 H new ATOM 0 HG3 GLN A 48 4.944 -6.912 11.870 1.00 0.00 H new ATOM 0 HE21 GLN A 48 4.579 -8.165 14.519 1.00 0.00 H new ATOM 0 HE22 GLN A 48 4.775 -6.853 15.687 1.00 0.00 H new ATOM 692 N GLY A 49 0.235 -5.211 10.145 1.00 0.00 N ATOM 693 CA GLY A 49 -0.612 -4.279 9.420 1.00 0.00 C ATOM 694 C GLY A 49 -0.808 -4.698 7.971 1.00 0.00 C ATOM 695 O GLY A 49 -0.303 -5.733 7.528 1.00 0.00 O ATOM 0 H GLY A 49 0.394 -6.094 9.660 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -1.582 -4.212 9.913 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -0.168 -3.284 9.453 1.00 0.00 H new ATOM 699 N TYR A 50 -1.541 -3.880 7.224 1.00 0.00 N ATOM 700 CA TYR A 50 -1.660 -3.955 5.780 1.00 0.00 C ATOM 701 C TYR A 50 -0.713 -2.903 5.222 1.00 0.00 C ATOM 702 O TYR A 50 -0.741 -1.733 5.623 1.00 0.00 O ATOM 703 CB TYR A 50 -3.121 -3.728 5.356 1.00 0.00 C ATOM 704 CG TYR A 50 -4.046 -4.886 5.691 1.00 0.00 C ATOM 705 CD1 TYR A 50 -4.099 -6.018 4.852 1.00 0.00 C ATOM 706 CD2 TYR A 50 -4.815 -4.867 6.870 1.00 0.00 C ATOM 707 CE1 TYR A 50 -4.934 -7.105 5.175 1.00 0.00 C ATOM 708 CE2 TYR A 50 -5.639 -5.960 7.192 1.00 0.00 C ATOM 709 CZ TYR A 50 -5.729 -7.074 6.334 1.00 0.00 C ATOM 710 OH TYR A 50 -6.563 -8.110 6.611 1.00 0.00 O ATOM 0 H TYR A 50 -2.088 -3.119 7.627 1.00 0.00 H new ATOM 0 HA TYR A 50 -1.390 -4.937 5.391 1.00 0.00 H new ATOM 0 HB2 TYR A 50 -3.494 -2.826 5.841 1.00 0.00 H new ATOM 0 HB3 TYR A 50 -3.154 -3.549 4.281 1.00 0.00 H new ATOM 0 HD1 TYR A 50 -3.496 -6.052 3.957 1.00 0.00 H new ATOM 0 HD2 TYR A 50 -4.772 -4.012 7.528 1.00 0.00 H new ATOM 0 HE1 TYR A 50 -4.964 -7.969 4.528 1.00 0.00 H new ATOM 0 HE2 TYR A 50 -6.210 -5.945 8.109 1.00 0.00 H new ATOM 0 HH TYR A 50 -7.039 -7.931 7.449 1.00 0.00 H new ATOM 720 N ARG A 51 0.202 -3.323 4.351 1.00 0.00 N ATOM 721 CA ARG A 51 0.863 -2.401 3.446 1.00 0.00 C ATOM 722 C ARG A 51 -0.118 -2.086 2.343 1.00 0.00 C ATOM 723 O ARG A 51 -0.962 -2.923 2.019 1.00 0.00 O ATOM 724 CB ARG A 51 2.134 -3.038 2.857 1.00 0.00 C ATOM 725 CG ARG A 51 3.344 -2.476 3.597 1.00 0.00 C ATOM 726 CD ARG A 51 4.707 -2.923 3.070 1.00 0.00 C ATOM 727 NE ARG A 51 5.716 -2.543 4.067 1.00 0.00 N ATOM 728 CZ ARG A 51 6.704 -3.306 4.543 1.00 0.00 C ATOM 729 NH1 ARG A 51 7.114 -4.402 3.913 1.00 0.00 N ATOM 730 NH2 ARG A 51 7.264 -2.966 5.694 1.00 0.00 N ATOM 0 H ARG A 51 0.498 -4.294 4.257 1.00 0.00 H new ATOM 0 HA ARG A 51 1.164 -1.496 3.974 1.00 0.00 H new ATOM 0 HB2 ARG A 51 2.097 -4.122 2.960 1.00 0.00 H new ATOM 0 HB3 ARG A 51 2.207 -2.821 1.791 1.00 0.00 H new ATOM 0 HG2 ARG A 51 3.298 -1.388 3.557 1.00 0.00 H new ATOM 0 HG3 ARG A 51 3.269 -2.760 4.647 1.00 0.00 H new ATOM 0 HD2 ARG A 51 4.719 -4.000 2.905 1.00 0.00 H new ATOM 0 HD3 ARG A 51 4.920 -2.451 2.111 1.00 0.00 H new ATOM 0 HE ARG A 51 5.656 -1.594 4.436 1.00 0.00 H new ATOM 0 HH11 ARG A 51 6.671 -4.683 3.038 1.00 0.00 H new ATOM 0 HH12 ARG A 51 7.871 -4.962 4.304 1.00 0.00 H new ATOM 0 HH21 ARG A 51 6.939 -2.139 6.195 1.00 0.00 H new ATOM 0 HH22 ARG A 51 8.020 -3.531 6.080 1.00 0.00 H new ATOM 744 N ILE A 52 0.073 -0.933 1.721 1.00 0.00 N ATOM 745 CA ILE A 52 -0.392 -0.671 0.379 1.00 0.00 C ATOM 746 C ILE A 52 0.859 -0.230 -0.373 1.00 0.00 C ATOM 747 O ILE A 52 1.536 0.700 0.059 1.00 0.00 O ATOM 748 CB ILE A 52 -1.552 0.349 0.374 1.00 0.00 C ATOM 749 CG1 ILE A 52 -2.775 -0.226 1.125 1.00 0.00 C ATOM 750 CG2 ILE A 52 -1.930 0.717 -1.070 1.00 0.00 C ATOM 751 CD1 ILE A 52 -4.014 0.677 1.109 1.00 0.00 C ATOM 0 H ILE A 52 0.563 -0.145 2.145 1.00 0.00 H new ATOM 0 HA ILE A 52 -0.834 -1.539 -0.110 1.00 0.00 H new ATOM 0 HB ILE A 52 -1.226 1.253 0.888 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.037 -1.188 0.684 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -2.493 -0.416 2.161 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.749 1.437 -1.060 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -1.067 1.156 -1.571 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.242 -0.180 -1.604 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.823 0.195 1.659 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -3.775 1.631 1.578 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -4.327 0.847 0.079 1.00 0.00 H new ATOM 763 N TYR A 53 1.167 -0.904 -1.473 1.00 0.00 N ATOM 764 CA TYR A 53 2.088 -0.450 -2.505 1.00 0.00 C ATOM 765 C TYR A 53 1.200 0.295 -3.505 1.00 0.00 C ATOM 766 O TYR A 53 0.030 -0.057 -3.634 1.00 0.00 O ATOM 767 CB TYR A 53 2.716 -1.672 -3.205 1.00 0.00 C ATOM 768 CG TYR A 53 3.746 -2.481 -2.421 1.00 0.00 C ATOM 769 CD1 TYR A 53 3.417 -3.136 -1.214 1.00 0.00 C ATOM 770 CD2 TYR A 53 5.063 -2.573 -2.911 1.00 0.00 C ATOM 771 CE1 TYR A 53 4.402 -3.830 -0.483 1.00 0.00 C ATOM 772 CE2 TYR A 53 6.054 -3.244 -2.175 1.00 0.00 C ATOM 773 CZ TYR A 53 5.733 -3.874 -0.955 1.00 0.00 C ATOM 774 OH TYR A 53 6.715 -4.488 -0.237 1.00 0.00 O ATOM 0 H TYR A 53 0.765 -1.819 -1.678 1.00 0.00 H new ATOM 0 HA TYR A 53 2.893 0.167 -2.107 1.00 0.00 H new ATOM 0 HB2 TYR A 53 1.909 -2.345 -3.495 1.00 0.00 H new ATOM 0 HB3 TYR A 53 3.189 -1.327 -4.125 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.401 -3.105 -0.848 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.313 -2.124 -3.861 1.00 0.00 H new ATOM 0 HE1 TYR A 53 4.139 -4.328 0.438 1.00 0.00 H new ATOM 0 HE2 TYR A 53 7.068 -3.277 -2.546 1.00 0.00 H new ATOM 0 HH TYR A 53 6.313 -5.000 0.496 1.00 0.00 H new ATOM 784 N TYR A 54 1.686 1.336 -4.174 1.00 0.00 N ATOM 785 CA TYR A 54 0.992 2.061 -5.229 1.00 0.00 C ATOM 786 C TYR A 54 1.994 2.783 -6.120 1.00 0.00 C ATOM 787 O TYR A 54 3.152 2.958 -5.736 1.00 0.00 O ATOM 788 CB TYR A 54 -0.024 3.036 -4.610 1.00 0.00 C ATOM 789 CG TYR A 54 0.573 4.154 -3.794 1.00 0.00 C ATOM 790 CD1 TYR A 54 0.991 3.871 -2.488 1.00 0.00 C ATOM 791 CD2 TYR A 54 0.646 5.462 -4.303 1.00 0.00 C ATOM 792 CE1 TYR A 54 1.485 4.902 -1.674 1.00 0.00 C ATOM 793 CE2 TYR A 54 1.108 6.508 -3.481 1.00 0.00 C ATOM 794 CZ TYR A 54 1.514 6.231 -2.155 1.00 0.00 C ATOM 795 OH TYR A 54 1.939 7.237 -1.342 1.00 0.00 O ATOM 0 H TYR A 54 2.615 1.712 -3.986 1.00 0.00 H new ATOM 0 HA TYR A 54 0.444 1.356 -5.855 1.00 0.00 H new ATOM 0 HB2 TYR A 54 -0.620 3.472 -5.412 1.00 0.00 H new ATOM 0 HB3 TYR A 54 -0.707 2.470 -3.976 1.00 0.00 H new ATOM 0 HD1 TYR A 54 0.933 2.862 -2.108 1.00 0.00 H new ATOM 0 HD2 TYR A 54 0.349 5.664 -5.321 1.00 0.00 H new ATOM 0 HE1 TYR A 54 1.843 4.680 -0.680 1.00 0.00 H new ATOM 0 HE2 TYR A 54 1.152 7.518 -3.862 1.00 0.00 H new ATOM 0 HH TYR A 54 1.899 8.088 -1.826 1.00 0.00 H new ATOM 805 N TRP A 55 1.572 3.200 -7.314 1.00 0.00 N ATOM 806 CA TRP A 55 2.349 4.102 -8.149 1.00 0.00 C ATOM 807 C TRP A 55 1.454 4.992 -9.005 1.00 0.00 C ATOM 808 O TRP A 55 0.332 4.624 -9.375 1.00 0.00 O ATOM 809 CB TRP A 55 3.340 3.310 -9.015 1.00 0.00 C ATOM 810 CG TRP A 55 2.812 2.245 -9.926 1.00 0.00 C ATOM 811 CD1 TRP A 55 2.381 2.429 -11.195 1.00 0.00 C ATOM 812 CD2 TRP A 55 2.746 0.806 -9.691 1.00 0.00 C ATOM 813 NE1 TRP A 55 2.048 1.214 -11.754 1.00 0.00 N ATOM 814 CE2 TRP A 55 2.270 0.175 -10.878 1.00 0.00 C ATOM 815 CE3 TRP A 55 3.037 -0.030 -8.592 1.00 0.00 C ATOM 816 CZ2 TRP A 55 2.091 -1.212 -10.969 1.00 0.00 C ATOM 817 CZ3 TRP A 55 2.878 -1.426 -8.675 1.00 0.00 C ATOM 818 CH2 TRP A 55 2.380 -2.011 -9.852 1.00 0.00 C ATOM 0 H TRP A 55 0.682 2.919 -7.725 1.00 0.00 H new ATOM 0 HA TRP A 55 2.917 4.761 -7.492 1.00 0.00 H new ATOM 0 HB2 TRP A 55 3.888 4.026 -9.627 1.00 0.00 H new ATOM 0 HB3 TRP A 55 4.063 2.843 -8.346 1.00 0.00 H new ATOM 0 HD1 TRP A 55 2.309 3.384 -11.695 1.00 0.00 H new ATOM 0 HE1 TRP A 55 1.682 1.099 -12.699 1.00 0.00 H new ATOM 0 HE3 TRP A 55 3.388 0.410 -7.670 1.00 0.00 H new ATOM 0 HZ2 TRP A 55 1.736 -1.660 -11.885 1.00 0.00 H new ATOM 0 HZ3 TRP A 55 3.139 -2.049 -7.832 1.00 0.00 H new ATOM 0 HH2 TRP A 55 2.219 -3.078 -9.897 1.00 0.00 H new ATOM 829 N LYS A 56 2.016 6.129 -9.421 1.00 0.00 N ATOM 830 CA LYS A 56 1.447 7.011 -10.429 1.00 0.00 C ATOM 831 C LYS A 56 1.512 6.253 -11.740 1.00 0.00 C ATOM 832 O LYS A 56 2.572 5.759 -12.128 1.00 0.00 O ATOM 833 CB LYS A 56 2.291 8.296 -10.500 1.00 0.00 C ATOM 834 CG LYS A 56 1.923 9.273 -11.630 1.00 0.00 C ATOM 835 CD LYS A 56 0.719 10.164 -11.301 1.00 0.00 C ATOM 836 CE LYS A 56 0.535 11.295 -12.321 1.00 0.00 C ATOM 837 NZ LYS A 56 1.620 12.299 -12.270 1.00 0.00 N ATOM 0 H LYS A 56 2.905 6.467 -9.052 1.00 0.00 H new ATOM 0 HA LYS A 56 0.420 7.295 -10.201 1.00 0.00 H new ATOM 0 HB2 LYS A 56 2.203 8.820 -9.548 1.00 0.00 H new ATOM 0 HB3 LYS A 56 3.338 8.015 -10.614 1.00 0.00 H new ATOM 0 HG2 LYS A 56 2.784 9.905 -11.848 1.00 0.00 H new ATOM 0 HG3 LYS A 56 1.708 8.705 -12.535 1.00 0.00 H new ATOM 0 HD2 LYS A 56 -0.184 9.554 -11.271 1.00 0.00 H new ATOM 0 HD3 LYS A 56 0.847 10.592 -10.307 1.00 0.00 H new ATOM 0 HE2 LYS A 56 0.488 10.869 -13.323 1.00 0.00 H new ATOM 0 HE3 LYS A 56 -0.419 11.789 -12.139 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 1.425 13.056 -12.956 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 1.673 12.704 -11.314 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 2.525 11.844 -12.504 1.00 0.00 H new ATOM 851 N THR A 57 0.366 6.136 -12.390 1.00 0.00 N ATOM 852 CA THR A 57 0.214 5.514 -13.690 1.00 0.00 C ATOM 853 C THR A 57 -0.030 6.665 -14.683 1.00 0.00 C ATOM 854 O THR A 57 -0.282 7.803 -14.279 1.00 0.00 O ATOM 855 CB THR A 57 -0.923 4.478 -13.561 1.00 0.00 C ATOM 856 OG1 THR A 57 -0.657 3.631 -12.450 1.00 0.00 O ATOM 857 CG2 THR A 57 -1.116 3.578 -14.780 1.00 0.00 C ATOM 0 H THR A 57 -0.514 6.485 -12.011 1.00 0.00 H new ATOM 0 HA THR A 57 1.078 4.961 -14.057 1.00 0.00 H new ATOM 0 HB THR A 57 -1.834 5.065 -13.446 1.00 0.00 H new ATOM 0 HG1 THR A 57 0.309 3.486 -12.373 1.00 0.00 H new ATOM 0 HG21 THR A 57 -1.936 2.885 -14.594 1.00 0.00 H new ATOM 0 HG22 THR A 57 -1.349 4.190 -15.651 1.00 0.00 H new ATOM 0 HG23 THR A 57 -0.201 3.016 -14.966 1.00 0.00 H new ATOM 865 N GLN A 58 0.084 6.400 -15.983 1.00 0.00 N ATOM 866 CA GLN A 58 -0.302 7.327 -17.043 1.00 0.00 C ATOM 867 C GLN A 58 -0.943 6.512 -18.166 1.00 0.00 C ATOM 868 O GLN A 58 -0.920 5.276 -18.139 1.00 0.00 O ATOM 869 CB GLN A 58 0.911 8.126 -17.561 1.00 0.00 C ATOM 870 CG GLN A 58 1.521 9.061 -16.503 1.00 0.00 C ATOM 871 CD GLN A 58 2.471 10.105 -17.088 1.00 0.00 C ATOM 872 OE1 GLN A 58 2.274 10.626 -18.184 1.00 0.00 O ATOM 873 NE2 GLN A 58 3.529 10.459 -16.383 1.00 0.00 N ATOM 0 H GLN A 58 0.455 5.517 -16.335 1.00 0.00 H new ATOM 0 HA GLN A 58 -1.012 8.058 -16.656 1.00 0.00 H new ATOM 0 HB2 GLN A 58 1.676 7.430 -17.905 1.00 0.00 H new ATOM 0 HB3 GLN A 58 0.606 8.716 -18.425 1.00 0.00 H new ATOM 0 HG2 GLN A 58 0.717 9.570 -15.972 1.00 0.00 H new ATOM 0 HG3 GLN A 58 2.059 8.463 -15.768 1.00 0.00 H new ATOM 0 HE21 GLN A 58 3.701 10.033 -15.473 1.00 0.00 H new ATOM 0 HE22 GLN A 58 4.174 11.159 -16.749 1.00 0.00 H new ATOM 882 N SER A 59 -1.506 7.166 -19.175 1.00 0.00 N ATOM 883 CA SER A 59 -1.938 6.502 -20.395 1.00 0.00 C ATOM 884 C SER A 59 -0.699 5.946 -21.116 1.00 0.00 C ATOM 885 O SER A 59 0.156 6.723 -21.529 1.00 0.00 O ATOM 886 CB SER A 59 -2.700 7.529 -21.236 1.00 0.00 C ATOM 887 OG SER A 59 -3.971 7.796 -20.657 1.00 0.00 O ATOM 0 H SER A 59 -1.675 8.172 -19.169 1.00 0.00 H new ATOM 0 HA SER A 59 -2.602 5.661 -20.198 1.00 0.00 H new ATOM 0 HB2 SER A 59 -2.124 8.452 -21.306 1.00 0.00 H new ATOM 0 HB3 SER A 59 -2.827 7.155 -22.252 1.00 0.00 H new ATOM 0 HG SER A 59 -4.447 8.455 -21.203 1.00 0.00 H new ATOM 893 N SER A 60 -0.570 4.620 -21.246 1.00 0.00 N ATOM 894 CA SER A 60 0.483 3.956 -22.017 1.00 0.00 C ATOM 895 C SER A 60 1.912 4.400 -21.642 1.00 0.00 C ATOM 896 O SER A 60 2.700 4.751 -22.524 1.00 0.00 O ATOM 897 CB SER A 60 0.165 4.112 -23.515 1.00 0.00 C ATOM 898 OG SER A 60 1.066 3.367 -24.311 1.00 0.00 O ATOM 0 H SER A 60 -1.214 3.963 -20.805 1.00 0.00 H new ATOM 0 HA SER A 60 0.482 2.896 -21.761 1.00 0.00 H new ATOM 0 HB2 SER A 60 -0.855 3.780 -23.709 1.00 0.00 H new ATOM 0 HB3 SER A 60 0.216 5.165 -23.792 1.00 0.00 H new ATOM 0 HG SER A 60 1.986 3.580 -24.050 1.00 0.00 H new ATOM 904 N SER A 61 2.281 4.342 -20.357 1.00 0.00 N ATOM 905 CA SER A 61 3.656 4.581 -19.929 1.00 0.00 C ATOM 906 C SER A 61 4.557 3.494 -20.537 1.00 0.00 C ATOM 907 O SER A 61 4.461 2.320 -20.165 1.00 0.00 O ATOM 908 CB SER A 61 3.714 4.620 -18.396 1.00 0.00 C ATOM 909 OG SER A 61 4.942 5.126 -17.900 1.00 0.00 O ATOM 0 H SER A 61 1.638 4.130 -19.594 1.00 0.00 H new ATOM 0 HA SER A 61 4.019 5.546 -20.283 1.00 0.00 H new ATOM 0 HB2 SER A 61 2.896 5.237 -18.023 1.00 0.00 H new ATOM 0 HB3 SER A 61 3.558 3.614 -18.006 1.00 0.00 H new ATOM 0 HG SER A 61 4.922 5.130 -16.920 1.00 0.00 H new ATOM 915 N LYS A 62 5.418 3.870 -21.486 1.00 0.00 N ATOM 916 CA LYS A 62 6.449 3.024 -22.089 1.00 0.00 C ATOM 917 C LYS A 62 7.795 3.270 -21.392 1.00 0.00 C ATOM 918 O LYS A 62 7.829 3.884 -20.318 1.00 0.00 O ATOM 919 CB LYS A 62 6.439 3.141 -23.627 1.00 0.00 C ATOM 920 CG LYS A 62 6.754 4.514 -24.243 1.00 0.00 C ATOM 921 CD LYS A 62 5.528 5.436 -24.385 1.00 0.00 C ATOM 922 CE LYS A 62 5.868 6.716 -25.162 1.00 0.00 C ATOM 923 NZ LYS A 62 5.864 6.507 -26.627 1.00 0.00 N ATOM 0 H LYS A 62 5.415 4.814 -21.872 1.00 0.00 H new ATOM 0 HA LYS A 62 6.234 1.969 -21.919 1.00 0.00 H new ATOM 0 HB2 LYS A 62 7.158 2.424 -24.022 1.00 0.00 H new ATOM 0 HB3 LYS A 62 5.455 2.833 -23.980 1.00 0.00 H new ATOM 0 HG2 LYS A 62 7.502 5.014 -23.627 1.00 0.00 H new ATOM 0 HG3 LYS A 62 7.199 4.365 -25.227 1.00 0.00 H new ATOM 0 HD2 LYS A 62 4.728 4.901 -24.897 1.00 0.00 H new ATOM 0 HD3 LYS A 62 5.154 5.699 -23.396 1.00 0.00 H new ATOM 0 HE2 LYS A 62 5.148 7.494 -24.907 1.00 0.00 H new ATOM 0 HE3 LYS A 62 6.849 7.076 -24.852 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 6.099 7.400 -27.106 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 6.569 5.784 -26.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 4.921 6.190 -26.930 1.00 0.00 H new ATOM 937 N ARG A 63 8.897 2.740 -21.927 1.00 0.00 N ATOM 938 CA ARG A 63 10.144 2.482 -21.201 1.00 0.00 C ATOM 939 C ARG A 63 11.318 3.236 -21.831 1.00 0.00 C ATOM 940 O ARG A 63 12.037 2.693 -22.666 1.00 0.00 O ATOM 941 CB ARG A 63 10.376 0.964 -21.074 1.00 0.00 C ATOM 942 CG ARG A 63 10.298 0.175 -22.397 1.00 0.00 C ATOM 943 CD ARG A 63 10.461 -1.323 -22.159 1.00 0.00 C ATOM 944 NE ARG A 63 10.605 -2.027 -23.444 1.00 0.00 N ATOM 945 CZ ARG A 63 9.741 -2.862 -24.034 1.00 0.00 C ATOM 946 NH1 ARG A 63 8.608 -3.235 -23.448 1.00 0.00 N ATOM 947 NH2 ARG A 63 10.001 -3.311 -25.256 1.00 0.00 N ATOM 0 H ARG A 63 8.948 2.470 -22.909 1.00 0.00 H new ATOM 0 HA ARG A 63 10.062 2.872 -20.186 1.00 0.00 H new ATOM 0 HB2 ARG A 63 11.357 0.799 -20.628 1.00 0.00 H new ATOM 0 HB3 ARG A 63 9.639 0.556 -20.382 1.00 0.00 H new ATOM 0 HG2 ARG A 63 9.340 0.366 -22.881 1.00 0.00 H new ATOM 0 HG3 ARG A 63 11.075 0.524 -23.077 1.00 0.00 H new ATOM 0 HD2 ARG A 63 11.335 -1.507 -21.535 1.00 0.00 H new ATOM 0 HD3 ARG A 63 9.597 -1.709 -21.619 1.00 0.00 H new ATOM 0 HE ARG A 63 11.474 -1.857 -23.949 1.00 0.00 H new ATOM 0 HH11 ARG A 63 8.374 -2.883 -22.520 1.00 0.00 H new ATOM 0 HH12 ARG A 63 7.972 -3.873 -23.927 1.00 0.00 H new ATOM 0 HH21 ARG A 63 10.852 -3.019 -25.736 1.00 0.00 H new ATOM 0 HH22 ARG A 63 9.349 -3.948 -25.715 1.00 0.00 H new ATOM 961 N ASN A 64 11.484 4.513 -21.504 1.00 0.00 N ATOM 962 CA ASN A 64 12.515 5.410 -22.030 1.00 0.00 C ATOM 963 C ASN A 64 12.722 6.534 -21.008 1.00 0.00 C ATOM 964 O ASN A 64 12.011 7.540 -21.048 1.00 0.00 O ATOM 965 CB ASN A 64 12.098 5.999 -23.398 1.00 0.00 C ATOM 966 CG ASN A 64 12.756 5.309 -24.589 1.00 0.00 C ATOM 967 OD1 ASN A 64 12.235 4.326 -25.113 1.00 0.00 O ATOM 968 ND2 ASN A 64 13.846 5.851 -25.102 1.00 0.00 N ATOM 0 H ASN A 64 10.874 4.977 -20.831 1.00 0.00 H new ATOM 0 HA ASN A 64 13.441 4.856 -22.186 1.00 0.00 H new ATOM 0 HB2 ASN A 64 11.015 5.926 -23.500 1.00 0.00 H new ATOM 0 HB3 ASN A 64 12.350 7.059 -23.419 1.00 0.00 H new ATOM 0 HD21 ASN A 64 14.266 5.454 -25.943 1.00 0.00 H new ATOM 0 HD22 ASN A 64 14.268 6.666 -24.657 1.00 0.00 H new ATOM 975 N ARG A 65 13.702 6.387 -20.107 1.00 0.00 N ATOM 976 CA ARG A 65 14.037 7.296 -18.990 1.00 0.00 C ATOM 977 C ARG A 65 12.945 7.283 -17.907 1.00 0.00 C ATOM 978 O ARG A 65 11.895 6.651 -18.067 1.00 0.00 O ATOM 979 CB ARG A 65 14.386 8.736 -19.461 1.00 0.00 C ATOM 980 CG ARG A 65 15.754 8.965 -20.126 1.00 0.00 C ATOM 981 CD ARG A 65 15.897 8.409 -21.548 1.00 0.00 C ATOM 982 NE ARG A 65 16.317 7.002 -21.533 1.00 0.00 N ATOM 983 CZ ARG A 65 16.904 6.334 -22.527 1.00 0.00 C ATOM 984 NH1 ARG A 65 17.029 6.859 -23.741 1.00 0.00 N ATOM 985 NH2 ARG A 65 17.380 5.126 -22.273 1.00 0.00 N ATOM 0 H ARG A 65 14.325 5.580 -20.136 1.00 0.00 H new ATOM 0 HA ARG A 65 14.949 6.908 -18.536 1.00 0.00 H new ATOM 0 HB2 ARG A 65 13.616 9.054 -20.163 1.00 0.00 H new ATOM 0 HB3 ARG A 65 14.320 9.396 -18.596 1.00 0.00 H new ATOM 0 HG2 ARG A 65 15.951 10.037 -20.152 1.00 0.00 H new ATOM 0 HG3 ARG A 65 16.523 8.514 -19.499 1.00 0.00 H new ATOM 0 HD2 ARG A 65 14.947 8.501 -22.074 1.00 0.00 H new ATOM 0 HD3 ARG A 65 16.626 9.002 -22.101 1.00 0.00 H new ATOM 0 HE ARG A 65 16.142 6.482 -20.673 1.00 0.00 H new ATOM 0 HH11 ARG A 65 16.672 7.795 -23.931 1.00 0.00 H new ATOM 0 HH12 ARG A 65 17.482 6.326 -24.483 1.00 0.00 H new ATOM 0 HH21 ARG A 65 17.293 4.730 -21.337 1.00 0.00 H new ATOM 0 HH22 ARG A 65 17.834 4.591 -23.013 1.00 0.00 H new ATOM 999 N ARG A 66 13.191 7.995 -16.799 1.00 0.00 N ATOM 1000 CA ARG A 66 12.509 7.883 -15.507 1.00 0.00 C ATOM 1001 C ARG A 66 12.505 6.443 -14.987 1.00 0.00 C ATOM 1002 O ARG A 66 13.085 5.539 -15.591 1.00 0.00 O ATOM 1003 CB ARG A 66 11.114 8.523 -15.539 1.00 0.00 C ATOM 1004 CG ARG A 66 11.162 10.017 -15.876 1.00 0.00 C ATOM 1005 CD ARG A 66 9.810 10.619 -15.499 1.00 0.00 C ATOM 1006 NE ARG A 66 9.643 11.992 -15.991 1.00 0.00 N ATOM 1007 CZ ARG A 66 10.189 13.114 -15.519 1.00 0.00 C ATOM 1008 NH1 ARG A 66 11.016 13.086 -14.481 1.00 0.00 N ATOM 1009 NH2 ARG A 66 9.879 14.263 -16.104 1.00 0.00 N ATOM 0 H ARG A 66 13.919 8.710 -16.782 1.00 0.00 H new ATOM 0 HA ARG A 66 13.083 8.459 -14.782 1.00 0.00 H new ATOM 0 HB2 ARG A 66 10.498 8.007 -16.276 1.00 0.00 H new ATOM 0 HB3 ARG A 66 10.633 8.388 -14.570 1.00 0.00 H new ATOM 0 HG2 ARG A 66 11.966 10.508 -15.327 1.00 0.00 H new ATOM 0 HG3 ARG A 66 11.364 10.164 -16.937 1.00 0.00 H new ATOM 0 HD2 ARG A 66 9.014 9.994 -15.902 1.00 0.00 H new ATOM 0 HD3 ARG A 66 9.703 10.611 -14.414 1.00 0.00 H new ATOM 0 HE ARG A 66 9.030 12.102 -16.799 1.00 0.00 H new ATOM 0 HH11 ARG A 66 11.242 12.198 -14.033 1.00 0.00 H new ATOM 0 HH12 ARG A 66 11.426 13.952 -14.132 1.00 0.00 H new ATOM 0 HH21 ARG A 66 9.236 14.275 -16.896 1.00 0.00 H new ATOM 0 HH22 ARG A 66 10.283 15.135 -15.762 1.00 0.00 H new ATOM 1023 N HIS A 67 11.898 6.236 -13.825 1.00 0.00 N ATOM 1024 CA HIS A 67 11.626 4.945 -13.219 1.00 0.00 C ATOM 1025 C HIS A 67 10.310 5.096 -12.463 1.00 0.00 C ATOM 1026 O HIS A 67 10.051 6.164 -11.898 1.00 0.00 O ATOM 1027 CB HIS A 67 12.783 4.560 -12.282 1.00 0.00 C ATOM 1028 CG HIS A 67 12.840 3.081 -12.023 1.00 0.00 C ATOM 1029 ND1 HIS A 67 12.467 2.417 -10.872 1.00 0.00 N ATOM 1030 CD2 HIS A 67 13.225 2.150 -12.947 1.00 0.00 C ATOM 1031 CE1 HIS A 67 12.604 1.099 -11.116 1.00 0.00 C ATOM 1032 NE2 HIS A 67 13.043 0.887 -12.374 1.00 0.00 N ATOM 0 H HIS A 67 11.565 7.010 -13.250 1.00 0.00 H new ATOM 0 HA HIS A 67 11.543 4.150 -13.960 1.00 0.00 H new ATOM 0 HB2 HIS A 67 13.726 4.886 -12.720 1.00 0.00 H new ATOM 0 HB3 HIS A 67 12.672 5.088 -11.335 1.00 0.00 H new ATOM 0 HD2 HIS A 67 13.601 2.353 -13.939 1.00 0.00 H new ATOM 0 HE1 HIS A 67 12.391 0.318 -10.401 1.00 0.00 H new ATOM 0 HE2 HIS A 67 13.209 -0.016 -12.819 1.00 0.00 H new ATOM 1040 N ILE A 68 9.463 4.068 -12.468 1.00 0.00 N ATOM 1041 CA ILE A 68 8.218 4.091 -11.714 1.00 0.00 C ATOM 1042 C ILE A 68 8.602 3.904 -10.249 1.00 0.00 C ATOM 1043 O ILE A 68 9.148 2.874 -9.853 1.00 0.00 O ATOM 1044 CB ILE A 68 7.225 3.023 -12.210 1.00 0.00 C ATOM 1045 CG1 ILE A 68 6.802 3.289 -13.672 1.00 0.00 C ATOM 1046 CG2 ILE A 68 5.970 2.948 -11.323 1.00 0.00 C ATOM 1047 CD1 ILE A 68 6.080 2.109 -14.334 1.00 0.00 C ATOM 0 H ILE A 68 9.621 3.206 -12.990 1.00 0.00 H new ATOM 0 HA ILE A 68 7.693 5.036 -11.850 1.00 0.00 H new ATOM 0 HB ILE A 68 7.746 2.067 -12.154 1.00 0.00 H new ATOM 0 HG12 ILE A 68 6.150 4.162 -13.698 1.00 0.00 H new ATOM 0 HG13 ILE A 68 7.688 3.535 -14.257 1.00 0.00 H new ATOM 0 HG21 ILE A 68 5.297 2.182 -11.709 1.00 0.00 H new ATOM 0 HG22 ILE A 68 6.260 2.696 -10.303 1.00 0.00 H new ATOM 0 HG23 ILE A 68 5.463 3.913 -11.328 1.00 0.00 H new ATOM 0 HD11 ILE A 68 5.815 2.373 -15.358 1.00 0.00 H new ATOM 0 HD12 ILE A 68 6.736 1.239 -14.341 1.00 0.00 H new ATOM 0 HD13 ILE A 68 5.175 1.876 -13.774 1.00 0.00 H new ATOM 1059 N GLU A 69 8.312 4.927 -9.467 1.00 0.00 N ATOM 1060 CA GLU A 69 8.331 4.966 -8.026 1.00 0.00 C ATOM 1061 C GLU A 69 7.154 4.131 -7.531 1.00 0.00 C ATOM 1062 O GLU A 69 5.998 4.535 -7.677 1.00 0.00 O ATOM 1063 CB GLU A 69 8.226 6.446 -7.670 1.00 0.00 C ATOM 1064 CG GLU A 69 8.145 6.778 -6.184 1.00 0.00 C ATOM 1065 CD GLU A 69 8.104 8.298 -5.961 1.00 0.00 C ATOM 1066 OE1 GLU A 69 8.705 9.059 -6.757 1.00 0.00 O ATOM 1067 OE2 GLU A 69 7.475 8.771 -4.986 1.00 0.00 O ATOM 0 H GLU A 69 8.034 5.825 -9.862 1.00 0.00 H new ATOM 0 HA GLU A 69 9.226 4.551 -7.563 1.00 0.00 H new ATOM 0 HB2 GLU A 69 9.090 6.961 -8.089 1.00 0.00 H new ATOM 0 HB3 GLU A 69 7.343 6.854 -8.161 1.00 0.00 H new ATOM 0 HG2 GLU A 69 7.255 6.319 -5.753 1.00 0.00 H new ATOM 0 HG3 GLU A 69 9.005 6.354 -5.665 1.00 0.00 H new ATOM 1074 N LYS A 70 7.454 2.936 -7.025 1.00 0.00 N ATOM 1075 CA LYS A 70 6.490 2.083 -6.329 1.00 0.00 C ATOM 1076 C LYS A 70 6.462 2.538 -4.870 1.00 0.00 C ATOM 1077 O LYS A 70 7.249 2.068 -4.045 1.00 0.00 O ATOM 1078 CB LYS A 70 6.824 0.587 -6.480 1.00 0.00 C ATOM 1079 CG LYS A 70 6.747 0.084 -7.933 1.00 0.00 C ATOM 1080 CD LYS A 70 6.659 -1.452 -7.972 1.00 0.00 C ATOM 1081 CE LYS A 70 6.777 -1.990 -9.404 1.00 0.00 C ATOM 1082 NZ LYS A 70 6.640 -3.462 -9.458 1.00 0.00 N ATOM 0 H LYS A 70 8.386 2.527 -7.087 1.00 0.00 H new ATOM 0 HA LYS A 70 5.498 2.188 -6.769 1.00 0.00 H new ATOM 0 HB2 LYS A 70 7.827 0.406 -6.094 1.00 0.00 H new ATOM 0 HB3 LYS A 70 6.136 0.006 -5.866 1.00 0.00 H new ATOM 0 HG2 LYS A 70 5.877 0.516 -8.427 1.00 0.00 H new ATOM 0 HG3 LYS A 70 7.625 0.417 -8.486 1.00 0.00 H new ATOM 0 HD2 LYS A 70 7.452 -1.878 -7.357 1.00 0.00 H new ATOM 0 HD3 LYS A 70 5.712 -1.774 -7.539 1.00 0.00 H new ATOM 0 HE2 LYS A 70 6.009 -1.532 -10.027 1.00 0.00 H new ATOM 0 HE3 LYS A 70 7.741 -1.700 -9.821 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 6.726 -3.783 -10.444 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 7.388 -3.902 -8.884 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 5.710 -3.738 -9.084 1.00 0.00 H new ATOM 1096 N LYS A 71 5.629 3.534 -4.591 1.00 0.00 N ATOM 1097 CA LYS A 71 5.464 4.191 -3.305 1.00 0.00 C ATOM 1098 C LYS A 71 4.738 3.244 -2.343 1.00 0.00 C ATOM 1099 O LYS A 71 4.087 2.297 -2.792 1.00 0.00 O ATOM 1100 CB LYS A 71 4.685 5.482 -3.567 1.00 0.00 C ATOM 1101 CG LYS A 71 5.156 6.614 -2.646 1.00 0.00 C ATOM 1102 CD LYS A 71 4.713 7.937 -3.234 1.00 0.00 C ATOM 1103 CE LYS A 71 5.101 9.126 -2.351 1.00 0.00 C ATOM 1104 NZ LYS A 71 6.513 9.536 -2.519 1.00 0.00 N ATOM 0 H LYS A 71 5.014 3.927 -5.303 1.00 0.00 H new ATOM 0 HA LYS A 71 6.416 4.439 -2.836 1.00 0.00 H new ATOM 0 HB2 LYS A 71 4.811 5.781 -4.608 1.00 0.00 H new ATOM 0 HB3 LYS A 71 3.621 5.304 -3.413 1.00 0.00 H new ATOM 0 HG2 LYS A 71 4.739 6.486 -1.647 1.00 0.00 H new ATOM 0 HG3 LYS A 71 6.241 6.591 -2.544 1.00 0.00 H new ATOM 0 HD2 LYS A 71 5.158 8.060 -4.221 1.00 0.00 H new ATOM 0 HD3 LYS A 71 3.632 7.927 -3.371 1.00 0.00 H new ATOM 0 HE2 LYS A 71 4.453 9.971 -2.584 1.00 0.00 H new ATOM 0 HE3 LYS A 71 4.925 8.868 -1.307 1.00 0.00 H new ATOM 0 HZ1 LYS A 71 6.590 10.567 -2.409 1.00 0.00 H new ATOM 0 HZ2 LYS A 71 7.099 9.066 -1.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 71 6.843 9.263 -3.467 1.00 0.00 H new ATOM 1118 N ILE A 72 4.801 3.501 -1.033 1.00 0.00 N ATOM 1119 CA ILE A 72 4.202 2.635 -0.008 1.00 0.00 C ATOM 1120 C ILE A 72 3.399 3.483 0.977 1.00 0.00 C ATOM 1121 O ILE A 72 3.669 4.678 1.143 1.00 0.00 O ATOM 1122 CB ILE A 72 5.290 1.781 0.698 1.00 0.00 C ATOM 1123 CG1 ILE A 72 6.153 0.963 -0.267 1.00 0.00 C ATOM 1124 CG2 ILE A 72 4.776 0.854 1.831 1.00 0.00 C ATOM 1125 CD1 ILE A 72 5.365 -0.091 -0.995 1.00 0.00 C ATOM 0 H ILE A 72 5.272 4.321 -0.650 1.00 0.00 H new ATOM 0 HA ILE A 72 3.515 1.934 -0.482 1.00 0.00 H new ATOM 0 HB ILE A 72 5.908 2.548 1.165 1.00 0.00 H new ATOM 0 HG12 ILE A 72 6.615 1.633 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 72 6.962 0.488 0.288 1.00 0.00 H new ATOM 0 HG21 ILE A 72 5.614 0.302 2.258 1.00 0.00 H new ATOM 0 HG22 ILE A 72 4.304 1.456 2.608 1.00 0.00 H new ATOM 0 HG23 ILE A 72 4.048 0.152 1.424 1.00 0.00 H new ATOM 0 HD11 ILE A 72 6.025 -0.641 -1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 72 4.925 -0.780 -0.274 1.00 0.00 H new ATOM 0 HD13 ILE A 72 4.572 0.383 -1.574 1.00 0.00 H new ATOM 1137 N LEU A 73 2.414 2.858 1.620 1.00 0.00 N ATOM 1138 CA LEU A 73 1.618 3.351 2.735 1.00 0.00 C ATOM 1139 C LEU A 73 1.493 2.243 3.779 1.00 0.00 C ATOM 1140 O LEU A 73 1.585 1.054 3.449 1.00 0.00 O ATOM 1141 CB LEU A 73 0.221 3.755 2.251 1.00 0.00 C ATOM 1142 CG LEU A 73 0.181 5.219 1.808 1.00 0.00 C ATOM 1143 CD1 LEU A 73 -0.707 5.392 0.599 1.00 0.00 C ATOM 1144 CD2 LEU A 73 -0.388 6.155 2.868 1.00 0.00 C ATOM 0 H LEU A 73 2.132 1.916 1.349 1.00 0.00 H new ATOM 0 HA LEU A 73 2.105 4.224 3.169 1.00 0.00 H new ATOM 0 HB2 LEU A 73 -0.077 3.115 1.421 1.00 0.00 H new ATOM 0 HB3 LEU A 73 -0.502 3.596 3.051 1.00 0.00 H new ATOM 0 HG LEU A 73 1.221 5.473 1.603 1.00 0.00 H new ATOM 0 HD11 LEU A 73 -0.719 6.441 0.303 1.00 0.00 H new ATOM 0 HD12 LEU A 73 -0.324 4.788 -0.223 1.00 0.00 H new ATOM 0 HD13 LEU A 73 -1.720 5.072 0.843 1.00 0.00 H new ATOM 0 HD21 LEU A 73 -0.388 7.177 2.489 1.00 0.00 H new ATOM 0 HD22 LEU A 73 -1.409 5.857 3.107 1.00 0.00 H new ATOM 0 HD23 LEU A 73 0.225 6.101 3.768 1.00 0.00 H new ATOM 1156 N THR A 74 1.218 2.642 5.020 1.00 0.00 N ATOM 1157 CA THR A 74 1.253 1.785 6.193 1.00 0.00 C ATOM 1158 C THR A 74 -0.037 1.964 7.000 1.00 0.00 C ATOM 1159 O THR A 74 -0.282 3.055 7.521 1.00 0.00 O ATOM 1160 CB THR A 74 2.521 2.138 6.997 1.00 0.00 C ATOM 1161 OG1 THR A 74 3.679 1.949 6.201 1.00 0.00 O ATOM 1162 CG2 THR A 74 2.691 1.378 8.314 1.00 0.00 C ATOM 0 H THR A 74 0.957 3.603 5.238 1.00 0.00 H new ATOM 0 HA THR A 74 1.303 0.730 5.922 1.00 0.00 H new ATOM 0 HB THR A 74 2.392 3.186 7.268 1.00 0.00 H new ATOM 0 HG1 THR A 74 4.476 2.178 6.723 1.00 0.00 H new ATOM 0 HG21 THR A 74 3.611 1.698 8.802 1.00 0.00 H new ATOM 0 HG22 THR A 74 1.843 1.586 8.966 1.00 0.00 H new ATOM 0 HG23 THR A 74 2.740 0.308 8.113 1.00 0.00 H new ATOM 1170 N PHE A 75 -0.845 0.902 7.122 1.00 0.00 N ATOM 1171 CA PHE A 75 -2.079 0.875 7.905 1.00 0.00 C ATOM 1172 C PHE A 75 -1.983 -0.282 8.883 1.00 0.00 C ATOM 1173 O PHE A 75 -2.209 -1.435 8.508 1.00 0.00 O ATOM 1174 CB PHE A 75 -3.310 0.736 6.994 1.00 0.00 C ATOM 1175 CG PHE A 75 -3.374 1.843 5.975 1.00 0.00 C ATOM 1176 CD1 PHE A 75 -3.746 3.137 6.381 1.00 0.00 C ATOM 1177 CD2 PHE A 75 -2.918 1.609 4.665 1.00 0.00 C ATOM 1178 CE1 PHE A 75 -3.618 4.207 5.484 1.00 0.00 C ATOM 1179 CE2 PHE A 75 -2.791 2.682 3.773 1.00 0.00 C ATOM 1180 CZ PHE A 75 -3.113 3.978 4.197 1.00 0.00 C ATOM 0 H PHE A 75 -0.648 0.013 6.663 1.00 0.00 H new ATOM 0 HA PHE A 75 -2.199 1.812 8.449 1.00 0.00 H new ATOM 0 HB2 PHE A 75 -3.279 -0.227 6.484 1.00 0.00 H new ATOM 0 HB3 PHE A 75 -4.215 0.747 7.601 1.00 0.00 H new ATOM 0 HD1 PHE A 75 -4.128 3.305 7.377 1.00 0.00 H new ATOM 0 HD2 PHE A 75 -2.667 0.607 4.348 1.00 0.00 H new ATOM 0 HE1 PHE A 75 -3.907 5.203 5.784 1.00 0.00 H new ATOM 0 HE2 PHE A 75 -2.447 2.511 2.764 1.00 0.00 H new ATOM 0 HZ PHE A 75 -2.970 4.810 3.524 1.00 0.00 H new ATOM 1190 N GLN A 76 -1.599 -0.010 10.128 1.00 0.00 N ATOM 1191 CA GLN A 76 -1.477 -1.056 11.138 1.00 0.00 C ATOM 1192 C GLN A 76 -2.834 -1.342 11.783 1.00 0.00 C ATOM 1193 O GLN A 76 -3.832 -0.663 11.507 1.00 0.00 O ATOM 1194 CB GLN A 76 -0.354 -0.714 12.129 1.00 0.00 C ATOM 1195 CG GLN A 76 0.983 -0.662 11.371 1.00 0.00 C ATOM 1196 CD GLN A 76 2.231 -0.776 12.251 1.00 0.00 C ATOM 1197 OE1 GLN A 76 2.387 -0.080 13.255 1.00 0.00 O ATOM 1198 NE2 GLN A 76 3.168 -1.624 11.861 1.00 0.00 N ATOM 0 H GLN A 76 -1.367 0.926 10.461 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.178 -1.994 10.671 1.00 0.00 H new ATOM 0 HB2 GLN A 76 -0.553 0.245 12.608 1.00 0.00 H new ATOM 0 HB3 GLN A 76 -0.309 -1.462 12.920 1.00 0.00 H new ATOM 0 HG2 GLN A 76 0.999 -1.468 10.638 1.00 0.00 H new ATOM 0 HG3 GLN A 76 1.033 0.275 10.816 1.00 0.00 H new ATOM 0 HE21 GLN A 76 3.025 -2.194 11.027 1.00 0.00 H new ATOM 0 HE22 GLN A 76 4.034 -1.708 12.394 1.00 0.00 H new ATOM 1207 N GLY A 77 -2.882 -2.389 12.601 1.00 0.00 N ATOM 1208 CA GLY A 77 -4.071 -2.735 13.388 1.00 0.00 C ATOM 1209 C GLY A 77 -5.143 -3.569 12.674 1.00 0.00 C ATOM 1210 O GLY A 77 -6.259 -3.684 13.181 1.00 0.00 O ATOM 0 H GLY A 77 -2.098 -3.026 12.740 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -3.747 -3.281 14.274 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -4.532 -1.810 13.735 1.00 0.00 H new ATOM 1214 N SER A 78 -4.828 -4.182 11.532 1.00 0.00 N ATOM 1215 CA SER A 78 -5.644 -5.154 10.811 1.00 0.00 C ATOM 1216 C SER A 78 -7.028 -4.674 10.321 1.00 0.00 C ATOM 1217 O SER A 78 -7.913 -5.511 10.120 1.00 0.00 O ATOM 1218 CB SER A 78 -5.737 -6.430 11.654 1.00 0.00 C ATOM 1219 OG SER A 78 -5.559 -7.581 10.847 1.00 0.00 O ATOM 0 H SER A 78 -3.943 -4.001 11.059 1.00 0.00 H new ATOM 0 HA SER A 78 -5.129 -5.340 9.869 1.00 0.00 H new ATOM 0 HB2 SER A 78 -4.980 -6.409 12.438 1.00 0.00 H new ATOM 0 HB3 SER A 78 -6.707 -6.474 12.149 1.00 0.00 H new ATOM 0 HG SER A 78 -5.621 -8.384 11.405 1.00 0.00 H new ATOM 1225 N LYS A 79 -7.211 -3.373 10.084 1.00 0.00 N ATOM 1226 CA LYS A 79 -8.403 -2.765 9.493 1.00 0.00 C ATOM 1227 C LYS A 79 -8.762 -3.369 8.136 1.00 0.00 C ATOM 1228 O LYS A 79 -7.965 -4.075 7.516 1.00 0.00 O ATOM 1229 CB LYS A 79 -8.172 -1.246 9.407 1.00 0.00 C ATOM 1230 CG LYS A 79 -8.558 -0.522 10.703 1.00 0.00 C ATOM 1231 CD LYS A 79 -7.862 -0.972 11.999 1.00 0.00 C ATOM 1232 CE LYS A 79 -8.305 -0.020 13.116 1.00 0.00 C ATOM 1233 NZ LYS A 79 -7.871 -0.424 14.469 1.00 0.00 N ATOM 0 H LYS A 79 -6.496 -2.682 10.311 1.00 0.00 H new ATOM 0 HA LYS A 79 -9.263 -2.973 10.129 1.00 0.00 H new ATOM 0 HB2 LYS A 79 -7.123 -1.053 9.185 1.00 0.00 H new ATOM 0 HB3 LYS A 79 -8.753 -0.839 8.580 1.00 0.00 H new ATOM 0 HG2 LYS A 79 -8.361 0.541 10.566 1.00 0.00 H new ATOM 0 HG3 LYS A 79 -9.633 -0.631 10.843 1.00 0.00 H new ATOM 0 HD2 LYS A 79 -8.132 -2.000 12.242 1.00 0.00 H new ATOM 0 HD3 LYS A 79 -6.779 -0.946 11.881 1.00 0.00 H new ATOM 0 HE2 LYS A 79 -7.915 0.976 12.904 1.00 0.00 H new ATOM 0 HE3 LYS A 79 -9.392 0.055 13.103 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 -8.210 0.271 15.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 -8.264 -1.360 14.695 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -6.832 -0.468 14.502 1.00 0.00 H new ATOM 1247 N THR A 80 -9.959 -3.063 7.651 1.00 0.00 N ATOM 1248 CA THR A 80 -10.458 -3.484 6.345 1.00 0.00 C ATOM 1249 C THR A 80 -10.407 -2.357 5.310 1.00 0.00 C ATOM 1250 O THR A 80 -10.891 -2.537 4.192 1.00 0.00 O ATOM 1251 CB THR A 80 -11.866 -4.071 6.516 1.00 0.00 C ATOM 1252 OG1 THR A 80 -12.672 -3.232 7.333 1.00 0.00 O ATOM 1253 CG2 THR A 80 -11.757 -5.442 7.188 1.00 0.00 C ATOM 0 H THR A 80 -10.631 -2.498 8.170 1.00 0.00 H new ATOM 0 HA THR A 80 -9.803 -4.259 5.947 1.00 0.00 H new ATOM 0 HB THR A 80 -12.326 -4.155 5.531 1.00 0.00 H new ATOM 0 HG1 THR A 80 -13.565 -3.626 7.426 1.00 0.00 H new ATOM 0 HG21 THR A 80 -12.753 -5.866 7.313 1.00 0.00 H new ATOM 0 HG22 THR A 80 -11.156 -6.105 6.566 1.00 0.00 H new ATOM 0 HG23 THR A 80 -11.284 -5.332 8.164 1.00 0.00 H new ATOM 1261 N HIS A 81 -9.837 -1.203 5.673 1.00 0.00 N ATOM 1262 CA HIS A 81 -9.727 -0.054 4.786 1.00 0.00 C ATOM 1263 C HIS A 81 -8.427 0.716 5.051 1.00 0.00 C ATOM 1264 O HIS A 81 -7.763 0.501 6.072 1.00 0.00 O ATOM 1265 CB HIS A 81 -10.979 0.834 4.936 1.00 0.00 C ATOM 1266 CG HIS A 81 -10.873 1.893 6.010 1.00 0.00 C ATOM 1267 ND1 HIS A 81 -11.092 3.242 5.833 1.00 0.00 N ATOM 1268 CD2 HIS A 81 -10.393 1.717 7.282 1.00 0.00 C ATOM 1269 CE1 HIS A 81 -10.723 3.860 6.964 1.00 0.00 C ATOM 1270 NE2 HIS A 81 -10.271 2.978 7.874 1.00 0.00 N ATOM 0 H HIS A 81 -9.438 -1.045 6.598 1.00 0.00 H new ATOM 0 HA HIS A 81 -9.680 -0.393 3.751 1.00 0.00 H new ATOM 0 HB2 HIS A 81 -11.179 1.321 3.982 1.00 0.00 H new ATOM 0 HB3 HIS A 81 -11.836 0.197 5.155 1.00 0.00 H new ATOM 0 HD1 HIS A 81 -11.466 3.688 4.996 1.00 0.00 H new ATOM 0 HD2 HIS A 81 -10.152 0.772 7.745 1.00 0.00 H new ATOM 0 HE1 HIS A 81 -10.781 4.927 7.124 1.00 0.00 H new ATOM 1278 N GLY A 82 -8.090 1.636 4.150 1.00 0.00 N ATOM 1279 CA GLY A 82 -6.965 2.559 4.225 1.00 0.00 C ATOM 1280 C GLY A 82 -7.246 3.747 3.305 1.00 0.00 C ATOM 1281 O GLY A 82 -8.302 3.794 2.675 1.00 0.00 O ATOM 0 H GLY A 82 -8.631 1.763 3.295 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -6.823 2.900 5.251 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -6.044 2.058 3.926 1.00 0.00 H new ATOM 1285 N MET A 83 -6.332 4.715 3.204 1.00 0.00 N ATOM 1286 CA MET A 83 -6.497 5.885 2.341 1.00 0.00 C ATOM 1287 C MET A 83 -5.245 6.120 1.506 1.00 0.00 C ATOM 1288 O MET A 83 -4.195 5.564 1.797 1.00 0.00 O ATOM 1289 CB MET A 83 -6.834 7.127 3.173 1.00 0.00 C ATOM 1290 CG MET A 83 -8.207 7.011 3.834 1.00 0.00 C ATOM 1291 SD MET A 83 -8.856 8.611 4.375 1.00 0.00 S ATOM 1292 CE MET A 83 -10.085 8.838 3.065 1.00 0.00 C ATOM 0 H MET A 83 -5.453 4.708 3.721 1.00 0.00 H new ATOM 0 HA MET A 83 -7.328 5.693 1.662 1.00 0.00 H new ATOM 0 HB2 MET A 83 -6.072 7.269 3.940 1.00 0.00 H new ATOM 0 HB3 MET A 83 -6.811 8.010 2.534 1.00 0.00 H new ATOM 0 HG2 MET A 83 -8.907 6.558 3.132 1.00 0.00 H new ATOM 0 HG3 MET A 83 -8.138 6.342 4.692 1.00 0.00 H new ATOM 0 HE1 MET A 83 -10.519 9.835 3.142 1.00 0.00 H new ATOM 0 HE2 MET A 83 -9.605 8.725 2.093 1.00 0.00 H new ATOM 0 HE3 MET A 83 -10.871 8.091 3.170 1.00 0.00 H new ATOM 1302 N LEU A 84 -5.332 6.989 0.504 1.00 0.00 N ATOM 1303 CA LEU A 84 -4.224 7.473 -0.304 1.00 0.00 C ATOM 1304 C LEU A 84 -4.213 9.005 -0.192 1.00 0.00 C ATOM 1305 O LEU A 84 -4.703 9.661 -1.107 1.00 0.00 O ATOM 1306 CB LEU A 84 -4.404 6.970 -1.759 1.00 0.00 C ATOM 1307 CG LEU A 84 -3.620 5.717 -2.171 1.00 0.00 C ATOM 1308 CD1 LEU A 84 -2.138 6.020 -2.274 1.00 0.00 C ATOM 1309 CD2 LEU A 84 -3.840 4.502 -1.274 1.00 0.00 C ATOM 0 H LEU A 84 -6.224 7.394 0.221 1.00 0.00 H new ATOM 0 HA LEU A 84 -3.260 7.097 0.039 1.00 0.00 H new ATOM 0 HB2 LEU A 84 -5.464 6.773 -1.919 1.00 0.00 H new ATOM 0 HB3 LEU A 84 -4.125 7.780 -2.433 1.00 0.00 H new ATOM 0 HG LEU A 84 -4.019 5.444 -3.148 1.00 0.00 H new ATOM 0 HD11 LEU A 84 -1.602 5.118 -2.567 1.00 0.00 H new ATOM 0 HD12 LEU A 84 -1.977 6.797 -3.021 1.00 0.00 H new ATOM 0 HD13 LEU A 84 -1.769 6.364 -1.308 1.00 0.00 H new ATOM 0 HD21 LEU A 84 -3.246 3.666 -1.642 1.00 0.00 H new ATOM 0 HD22 LEU A 84 -3.536 4.742 -0.255 1.00 0.00 H new ATOM 0 HD23 LEU A 84 -4.895 4.229 -1.283 1.00 0.00 H new ATOM 1321 N PRO A 85 -3.739 9.596 0.923 1.00 0.00 N ATOM 1322 CA PRO A 85 -3.555 11.041 1.039 1.00 0.00 C ATOM 1323 C PRO A 85 -2.225 11.475 0.410 1.00 0.00 C ATOM 1324 O PRO A 85 -1.244 10.716 0.431 1.00 0.00 O ATOM 1325 CB PRO A 85 -3.549 11.317 2.548 1.00 0.00 C ATOM 1326 CG PRO A 85 -3.024 10.024 3.172 1.00 0.00 C ATOM 1327 CD PRO A 85 -3.390 8.927 2.171 1.00 0.00 C ATOM 0 HA PRO A 85 -4.338 11.594 0.520 1.00 0.00 H new ATOM 0 HB2 PRO A 85 -2.909 12.165 2.794 1.00 0.00 H new ATOM 0 HB3 PRO A 85 -4.548 11.556 2.912 1.00 0.00 H new ATOM 0 HG2 PRO A 85 -1.947 10.071 3.330 1.00 0.00 H new ATOM 0 HG3 PRO A 85 -3.481 9.840 4.144 1.00 0.00 H new ATOM 0 HD2 PRO A 85 -2.554 8.244 2.023 1.00 0.00 H new ATOM 0 HD3 PRO A 85 -4.226 8.332 2.538 1.00 0.00 H new ATOM 1335 N GLY A 86 -2.157 12.717 -0.081 1.00 0.00 N ATOM 1336 CA GLY A 86 -0.924 13.319 -0.576 1.00 0.00 C ATOM 1337 C GLY A 86 -0.728 13.077 -2.071 1.00 0.00 C ATOM 1338 O GLY A 86 0.401 13.156 -2.559 1.00 0.00 O ATOM 0 H GLY A 86 -2.966 13.335 -0.145 1.00 0.00 H new ATOM 0 HA2 GLY A 86 -0.941 14.391 -0.382 1.00 0.00 H new ATOM 0 HA3 GLY A 86 -0.075 12.909 -0.028 1.00 0.00 H new ATOM 1342 N LEU A 87 -1.789 12.728 -2.796 1.00 0.00 N ATOM 1343 CA LEU A 87 -1.745 12.299 -4.188 1.00 0.00 C ATOM 1344 C LEU A 87 -1.933 13.502 -5.125 1.00 0.00 C ATOM 1345 O LEU A 87 -1.841 14.657 -4.691 1.00 0.00 O ATOM 1346 CB LEU A 87 -2.789 11.178 -4.360 1.00 0.00 C ATOM 1347 CG LEU A 87 -2.288 9.761 -4.003 1.00 0.00 C ATOM 1348 CD1 LEU A 87 -1.328 9.221 -5.051 1.00 0.00 C ATOM 1349 CD2 LEU A 87 -1.589 9.659 -2.642 1.00 0.00 C ATOM 0 H LEU A 87 -2.735 12.737 -2.415 1.00 0.00 H new ATOM 0 HA LEU A 87 -0.773 11.889 -4.462 1.00 0.00 H new ATOM 0 HB2 LEU A 87 -3.654 11.409 -3.738 1.00 0.00 H new ATOM 0 HB3 LEU A 87 -3.131 11.176 -5.395 1.00 0.00 H new ATOM 0 HG LEU A 87 -3.201 9.168 -3.964 1.00 0.00 H new ATOM 0 HD11 LEU A 87 -0.999 8.223 -4.763 1.00 0.00 H new ATOM 0 HD12 LEU A 87 -1.833 9.172 -6.016 1.00 0.00 H new ATOM 0 HD13 LEU A 87 -0.463 9.880 -5.127 1.00 0.00 H new ATOM 0 HD21 LEU A 87 -1.270 8.630 -2.473 1.00 0.00 H new ATOM 0 HD22 LEU A 87 -0.719 10.315 -2.630 1.00 0.00 H new ATOM 0 HD23 LEU A 87 -2.281 9.959 -1.854 1.00 0.00 H new ATOM 1361 N GLU A 88 -2.132 13.264 -6.427 1.00 0.00 N ATOM 1362 CA GLU A 88 -2.358 14.304 -7.418 1.00 0.00 C ATOM 1363 C GLU A 88 -3.665 14.010 -8.177 1.00 0.00 C ATOM 1364 O GLU A 88 -4.042 12.838 -8.323 1.00 0.00 O ATOM 1365 CB GLU A 88 -1.105 14.464 -8.302 1.00 0.00 C ATOM 1366 CG GLU A 88 -1.318 14.189 -9.789 1.00 0.00 C ATOM 1367 CD GLU A 88 -0.039 14.335 -10.605 1.00 0.00 C ATOM 1368 OE1 GLU A 88 1.051 13.928 -10.139 1.00 0.00 O ATOM 1369 OE2 GLU A 88 -0.129 14.734 -11.787 1.00 0.00 O ATOM 0 H GLU A 88 -2.139 12.323 -6.821 1.00 0.00 H new ATOM 0 HA GLU A 88 -2.503 15.278 -6.951 1.00 0.00 H new ATOM 0 HB2 GLU A 88 -0.727 15.480 -8.187 1.00 0.00 H new ATOM 0 HB3 GLU A 88 -0.331 13.792 -7.932 1.00 0.00 H new ATOM 0 HG2 GLU A 88 -1.711 13.180 -9.915 1.00 0.00 H new ATOM 0 HG3 GLU A 88 -2.071 14.875 -10.177 1.00 0.00 H new ATOM 1376 N PRO A 89 -4.374 15.054 -8.640 1.00 0.00 N ATOM 1377 CA PRO A 89 -5.616 14.913 -9.375 1.00 0.00 C ATOM 1378 C PRO A 89 -5.399 14.509 -10.841 1.00 0.00 C ATOM 1379 O PRO A 89 -4.271 14.507 -11.340 1.00 0.00 O ATOM 1380 CB PRO A 89 -6.326 16.264 -9.270 1.00 0.00 C ATOM 1381 CG PRO A 89 -5.369 17.194 -8.526 1.00 0.00 C ATOM 1382 CD PRO A 89 -4.038 16.462 -8.541 1.00 0.00 C ATOM 0 HA PRO A 89 -6.215 14.108 -8.950 1.00 0.00 H new ATOM 0 HB2 PRO A 89 -6.561 16.658 -10.259 1.00 0.00 H new ATOM 0 HB3 PRO A 89 -7.270 16.167 -8.733 1.00 0.00 H new ATOM 0 HG2 PRO A 89 -5.294 18.163 -9.019 1.00 0.00 H new ATOM 0 HG3 PRO A 89 -5.708 17.380 -7.507 1.00 0.00 H new ATOM 0 HD2 PRO A 89 -3.424 16.780 -9.384 1.00 0.00 H new ATOM 0 HD3 PRO A 89 -3.467 16.667 -7.636 1.00 0.00 H new ATOM 1390 N PHE A 90 -6.508 14.240 -11.541 1.00 0.00 N ATOM 1391 CA PHE A 90 -6.580 13.979 -12.977 1.00 0.00 C ATOM 1392 C PHE A 90 -5.468 13.025 -13.442 1.00 0.00 C ATOM 1393 O PHE A 90 -4.685 13.338 -14.344 1.00 0.00 O ATOM 1394 CB PHE A 90 -6.635 15.326 -13.729 1.00 0.00 C ATOM 1395 CG PHE A 90 -6.989 15.221 -15.196 1.00 0.00 C ATOM 1396 CD1 PHE A 90 -8.320 14.976 -15.579 1.00 0.00 C ATOM 1397 CD2 PHE A 90 -5.987 15.332 -16.178 1.00 0.00 C ATOM 1398 CE1 PHE A 90 -8.633 14.785 -16.935 1.00 0.00 C ATOM 1399 CE2 PHE A 90 -6.304 15.149 -17.534 1.00 0.00 C ATOM 1400 CZ PHE A 90 -7.623 14.855 -17.913 1.00 0.00 C ATOM 0 H PHE A 90 -7.424 14.197 -11.095 1.00 0.00 H new ATOM 0 HA PHE A 90 -7.498 13.443 -13.217 1.00 0.00 H new ATOM 0 HB2 PHE A 90 -7.365 15.970 -13.239 1.00 0.00 H new ATOM 0 HB3 PHE A 90 -5.666 15.816 -13.638 1.00 0.00 H new ATOM 0 HD1 PHE A 90 -9.099 14.935 -14.832 1.00 0.00 H new ATOM 0 HD2 PHE A 90 -4.972 15.559 -15.888 1.00 0.00 H new ATOM 0 HE1 PHE A 90 -9.653 14.584 -17.228 1.00 0.00 H new ATOM 0 HE2 PHE A 90 -5.533 15.235 -18.285 1.00 0.00 H new ATOM 0 HZ PHE A 90 -7.862 14.683 -18.952 1.00 0.00 H new ATOM 1410 N SER A 91 -5.347 11.863 -12.802 1.00 0.00 N ATOM 1411 CA SER A 91 -4.361 10.856 -13.160 1.00 0.00 C ATOM 1412 C SER A 91 -4.813 9.475 -12.705 1.00 0.00 C ATOM 1413 O SER A 91 -5.452 9.346 -11.658 1.00 0.00 O ATOM 1414 CB SER A 91 -3.028 11.241 -12.515 1.00 0.00 C ATOM 1415 OG SER A 91 -2.325 12.105 -13.393 1.00 0.00 O ATOM 0 H SER A 91 -5.938 11.596 -12.014 1.00 0.00 H new ATOM 0 HA SER A 91 -4.245 10.814 -14.243 1.00 0.00 H new ATOM 0 HB2 SER A 91 -3.201 11.735 -11.559 1.00 0.00 H new ATOM 0 HB3 SER A 91 -2.436 10.349 -12.311 1.00 0.00 H new ATOM 0 HG SER A 91 -2.962 12.684 -13.862 1.00 0.00 H new ATOM 1421 N HIS A 92 -4.455 8.449 -13.481 1.00 0.00 N ATOM 1422 CA HIS A 92 -4.635 7.053 -13.121 1.00 0.00 C ATOM 1423 C HIS A 92 -3.527 6.646 -12.148 1.00 0.00 C ATOM 1424 O HIS A 92 -2.410 7.165 -12.198 1.00 0.00 O ATOM 1425 CB HIS A 92 -4.622 6.179 -14.393 1.00 0.00 C ATOM 1426 CG HIS A 92 -5.423 4.895 -14.323 1.00 0.00 C ATOM 1427 ND1 HIS A 92 -5.227 3.767 -15.092 1.00 0.00 N ATOM 1428 CD2 HIS A 92 -6.592 4.701 -13.638 1.00 0.00 C ATOM 1429 CE1 HIS A 92 -6.249 2.925 -14.869 1.00 0.00 C ATOM 1430 NE2 HIS A 92 -7.129 3.469 -14.014 1.00 0.00 N ATOM 0 H HIS A 92 -4.023 8.576 -14.396 1.00 0.00 H new ATOM 0 HA HIS A 92 -5.598 6.909 -12.631 1.00 0.00 H new ATOM 0 HB2 HIS A 92 -5.000 6.775 -15.224 1.00 0.00 H new ATOM 0 HB3 HIS A 92 -3.588 5.927 -14.626 1.00 0.00 H new ATOM 0 HD2 HIS A 92 -7.026 5.387 -12.926 1.00 0.00 H new ATOM 0 HE1 HIS A 92 -6.349 1.947 -15.315 1.00 0.00 H new ATOM 0 HE2 HIS A 92 -8.012 3.064 -13.702 1.00 0.00 H new ATOM 1438 N TYR A 93 -3.818 5.676 -11.291 1.00 0.00 N ATOM 1439 CA TYR A 93 -2.915 5.126 -10.300 1.00 0.00 C ATOM 1440 C TYR A 93 -3.187 3.633 -10.189 1.00 0.00 C ATOM 1441 O TYR A 93 -4.306 3.174 -10.436 1.00 0.00 O ATOM 1442 CB TYR A 93 -3.145 5.807 -8.946 1.00 0.00 C ATOM 1443 CG TYR A 93 -2.557 7.198 -8.846 1.00 0.00 C ATOM 1444 CD1 TYR A 93 -3.260 8.307 -9.352 1.00 0.00 C ATOM 1445 CD2 TYR A 93 -1.293 7.381 -8.258 1.00 0.00 C ATOM 1446 CE1 TYR A 93 -2.704 9.594 -9.273 1.00 0.00 C ATOM 1447 CE2 TYR A 93 -0.728 8.663 -8.174 1.00 0.00 C ATOM 1448 CZ TYR A 93 -1.448 9.777 -8.658 1.00 0.00 C ATOM 1449 OH TYR A 93 -0.965 11.033 -8.486 1.00 0.00 O ATOM 0 H TYR A 93 -4.736 5.233 -11.271 1.00 0.00 H new ATOM 0 HA TYR A 93 -1.880 5.297 -10.596 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -4.217 5.863 -8.757 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -2.715 5.185 -8.161 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -4.231 8.168 -9.803 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -0.754 6.530 -7.869 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -3.236 10.440 -9.682 1.00 0.00 H new ATOM 0 HE2 TYR A 93 0.252 8.797 -7.741 1.00 0.00 H new ATOM 0 HH TYR A 93 -0.090 10.990 -8.047 1.00 0.00 H new ATOM 1459 N THR A 94 -2.168 2.902 -9.755 1.00 0.00 N ATOM 1460 CA THR A 94 -2.248 1.492 -9.398 1.00 0.00 C ATOM 1461 C THR A 94 -1.909 1.400 -7.907 1.00 0.00 C ATOM 1462 O THR A 94 -1.135 2.230 -7.433 1.00 0.00 O ATOM 1463 CB THR A 94 -1.261 0.704 -10.277 1.00 0.00 C ATOM 1464 OG1 THR A 94 -1.469 0.974 -11.657 1.00 0.00 O ATOM 1465 CG2 THR A 94 -1.392 -0.808 -10.083 1.00 0.00 C ATOM 0 H THR A 94 -1.231 3.288 -9.638 1.00 0.00 H new ATOM 0 HA THR A 94 -3.237 1.066 -9.567 1.00 0.00 H new ATOM 0 HB THR A 94 -0.268 1.029 -9.967 1.00 0.00 H new ATOM 0 HG1 THR A 94 -1.161 1.881 -11.863 1.00 0.00 H new ATOM 0 HG21 THR A 94 -0.675 -1.321 -10.724 1.00 0.00 H new ATOM 0 HG22 THR A 94 -1.192 -1.060 -9.042 1.00 0.00 H new ATOM 0 HG23 THR A 94 -2.402 -1.122 -10.345 1.00 0.00 H new ATOM 1473 N LEU A 95 -2.486 0.452 -7.163 1.00 0.00 N ATOM 1474 CA LEU A 95 -2.152 0.101 -5.784 1.00 0.00 C ATOM 1475 C LEU A 95 -2.447 -1.377 -5.531 1.00 0.00 C ATOM 1476 O LEU A 95 -3.282 -1.976 -6.204 1.00 0.00 O ATOM 1477 CB LEU A 95 -2.880 0.988 -4.767 1.00 0.00 C ATOM 1478 CG LEU A 95 -4.427 0.968 -4.692 1.00 0.00 C ATOM 1479 CD1 LEU A 95 -5.173 0.748 -6.005 1.00 0.00 C ATOM 1480 CD2 LEU A 95 -4.937 -0.073 -3.687 1.00 0.00 C ATOM 0 H LEU A 95 -3.243 -0.124 -7.531 1.00 0.00 H new ATOM 0 HA LEU A 95 -1.085 0.278 -5.648 1.00 0.00 H new ATOM 0 HB2 LEU A 95 -2.504 0.724 -3.779 1.00 0.00 H new ATOM 0 HB3 LEU A 95 -2.578 2.017 -4.959 1.00 0.00 H new ATOM 0 HG LEU A 95 -4.650 1.986 -4.373 1.00 0.00 H new ATOM 0 HD11 LEU A 95 -6.247 0.755 -5.819 1.00 0.00 H new ATOM 0 HD12 LEU A 95 -4.921 1.545 -6.705 1.00 0.00 H new ATOM 0 HD13 LEU A 95 -4.885 -0.213 -6.431 1.00 0.00 H new ATOM 0 HD21 LEU A 95 -6.027 -0.054 -3.665 1.00 0.00 H new ATOM 0 HD22 LEU A 95 -4.597 -1.064 -3.986 1.00 0.00 H new ATOM 0 HD23 LEU A 95 -4.550 0.159 -2.695 1.00 0.00 H new ATOM 1492 N ASN A 96 -1.825 -1.964 -4.515 1.00 0.00 N ATOM 1493 CA ASN A 96 -2.074 -3.339 -4.074 1.00 0.00 C ATOM 1494 C ASN A 96 -1.789 -3.412 -2.586 1.00 0.00 C ATOM 1495 O ASN A 96 -0.851 -2.786 -2.095 1.00 0.00 O ATOM 1496 CB ASN A 96 -1.255 -4.411 -4.829 1.00 0.00 C ATOM 1497 CG ASN A 96 -0.127 -3.876 -5.698 1.00 0.00 C ATOM 1498 OD1 ASN A 96 -0.367 -3.319 -6.763 1.00 0.00 O ATOM 1499 ND2 ASN A 96 1.117 -4.002 -5.288 1.00 0.00 N ATOM 0 H ASN A 96 -1.115 -1.488 -3.958 1.00 0.00 H new ATOM 0 HA ASN A 96 -3.115 -3.570 -4.299 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.833 -5.102 -4.100 1.00 0.00 H new ATOM 0 HB3 ASN A 96 -1.934 -4.987 -5.458 1.00 0.00 H new ATOM 0 HD21 ASN A 96 1.881 -3.636 -5.856 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.317 -4.465 -4.402 1.00 0.00 H new ATOM 1506 N VAL A 97 -2.616 -4.158 -1.865 1.00 0.00 N ATOM 1507 CA VAL A 97 -2.550 -4.343 -0.426 1.00 0.00 C ATOM 1508 C VAL A 97 -1.676 -5.580 -0.155 1.00 0.00 C ATOM 1509 O VAL A 97 -1.576 -6.469 -0.996 1.00 0.00 O ATOM 1510 CB VAL A 97 -3.989 -4.493 0.130 1.00 0.00 C ATOM 1511 CG1 VAL A 97 -4.026 -4.270 1.647 1.00 0.00 C ATOM 1512 CG2 VAL A 97 -5.000 -3.507 -0.489 1.00 0.00 C ATOM 0 H VAL A 97 -3.386 -4.674 -2.290 1.00 0.00 H new ATOM 0 HA VAL A 97 -2.101 -3.487 0.078 1.00 0.00 H new ATOM 0 HB VAL A 97 -4.276 -5.511 -0.134 1.00 0.00 H new ATOM 0 HG11 VAL A 97 -5.049 -4.382 2.006 1.00 0.00 H new ATOM 0 HG12 VAL A 97 -3.386 -5.003 2.138 1.00 0.00 H new ATOM 0 HG13 VAL A 97 -3.669 -3.266 1.876 1.00 0.00 H new ATOM 0 HG21 VAL A 97 -5.984 -3.672 -0.051 1.00 0.00 H new ATOM 0 HG22 VAL A 97 -4.680 -2.484 -0.288 1.00 0.00 H new ATOM 0 HG23 VAL A 97 -5.051 -3.666 -1.566 1.00 0.00 H new ATOM 1522 N ARG A 98 -1.056 -5.705 1.020 1.00 0.00 N ATOM 1523 CA ARG A 98 -0.318 -6.913 1.410 1.00 0.00 C ATOM 1524 C ARG A 98 -0.339 -7.028 2.918 1.00 0.00 C ATOM 1525 O ARG A 98 -0.228 -6.003 3.593 1.00 0.00 O ATOM 1526 CB ARG A 98 1.121 -6.794 0.894 1.00 0.00 C ATOM 1527 CG ARG A 98 1.875 -8.125 0.986 1.00 0.00 C ATOM 1528 CD ARG A 98 3.282 -7.975 0.412 1.00 0.00 C ATOM 1529 NE ARG A 98 3.395 -8.404 -0.990 1.00 0.00 N ATOM 1530 CZ ARG A 98 4.445 -8.143 -1.776 1.00 0.00 C ATOM 1531 NH1 ARG A 98 5.376 -7.286 -1.369 1.00 0.00 N ATOM 1532 NH2 ARG A 98 4.568 -8.747 -2.955 1.00 0.00 N ATOM 0 H ARG A 98 -1.050 -4.973 1.730 1.00 0.00 H new ATOM 0 HA ARG A 98 -0.775 -7.805 0.982 1.00 0.00 H new ATOM 0 HB2 ARG A 98 1.108 -6.455 -0.142 1.00 0.00 H new ATOM 0 HB3 ARG A 98 1.651 -6.036 1.470 1.00 0.00 H new ATOM 0 HG2 ARG A 98 1.931 -8.448 2.025 1.00 0.00 H new ATOM 0 HG3 ARG A 98 1.332 -8.897 0.441 1.00 0.00 H new ATOM 0 HD2 ARG A 98 3.588 -6.932 0.490 1.00 0.00 H new ATOM 0 HD3 ARG A 98 3.977 -8.557 1.018 1.00 0.00 H new ATOM 0 HE ARG A 98 2.622 -8.936 -1.389 1.00 0.00 H new ATOM 0 HH11 ARG A 98 5.288 -6.831 -0.461 1.00 0.00 H new ATOM 0 HH12 ARG A 98 6.179 -7.084 -1.965 1.00 0.00 H new ATOM 0 HH21 ARG A 98 3.859 -9.413 -3.263 1.00 0.00 H new ATOM 0 HH22 ARG A 98 5.371 -8.544 -3.551 1.00 0.00 H new ATOM 1546 N VAL A 99 -0.460 -8.236 3.459 1.00 0.00 N ATOM 1547 CA VAL A 99 -0.373 -8.422 4.897 1.00 0.00 C ATOM 1548 C VAL A 99 1.105 -8.465 5.291 1.00 0.00 C ATOM 1549 O VAL A 99 1.954 -8.953 4.538 1.00 0.00 O ATOM 1550 CB VAL A 99 -1.196 -9.658 5.339 1.00 0.00 C ATOM 1551 CG1 VAL A 99 -2.507 -9.879 4.549 1.00 0.00 C ATOM 1552 CG2 VAL A 99 -0.378 -10.949 5.341 1.00 0.00 C ATOM 0 H VAL A 99 -0.617 -9.092 2.926 1.00 0.00 H new ATOM 0 HA VAL A 99 -0.822 -7.586 5.433 1.00 0.00 H new ATOM 0 HB VAL A 99 -1.478 -9.413 6.363 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -3.015 -10.766 4.928 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -3.155 -9.011 4.669 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -2.276 -10.016 3.493 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -1.009 -11.779 5.659 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -0.002 -11.143 4.336 1.00 0.00 H new ATOM 0 HG23 VAL A 99 0.461 -10.847 6.029 1.00 0.00 H new ATOM 1562 N VAL A 100 1.409 -7.987 6.492 1.00 0.00 N ATOM 1563 CA VAL A 100 2.734 -7.992 7.091 1.00 0.00 C ATOM 1564 C VAL A 100 2.520 -8.427 8.533 1.00 0.00 C ATOM 1565 O VAL A 100 1.579 -7.959 9.179 1.00 0.00 O ATOM 1566 CB VAL A 100 3.335 -6.578 7.018 1.00 0.00 C ATOM 1567 CG1 VAL A 100 4.715 -6.499 7.694 1.00 0.00 C ATOM 1568 CG2 VAL A 100 3.450 -6.038 5.582 1.00 0.00 C ATOM 0 H VAL A 100 0.706 -7.567 7.100 1.00 0.00 H new ATOM 0 HA VAL A 100 3.427 -8.660 6.579 1.00 0.00 H new ATOM 0 HB VAL A 100 2.629 -5.950 7.561 1.00 0.00 H new ATOM 0 HG11 VAL A 100 5.100 -5.482 7.618 1.00 0.00 H new ATOM 0 HG12 VAL A 100 4.622 -6.774 8.745 1.00 0.00 H new ATOM 0 HG13 VAL A 100 5.402 -7.185 7.199 1.00 0.00 H new ATOM 0 HG21 VAL A 100 3.881 -5.037 5.603 1.00 0.00 H new ATOM 0 HG22 VAL A 100 4.091 -6.697 4.996 1.00 0.00 H new ATOM 0 HG23 VAL A 100 2.460 -5.997 5.128 1.00 0.00 H new ATOM 1578 N ASN A 101 3.364 -9.312 9.051 1.00 0.00 N ATOM 1579 CA ASN A 101 3.248 -9.832 10.408 1.00 0.00 C ATOM 1580 C ASN A 101 4.619 -9.864 11.080 1.00 0.00 C ATOM 1581 O ASN A 101 5.582 -9.299 10.558 1.00 0.00 O ATOM 1582 CB ASN A 101 2.539 -11.199 10.381 1.00 0.00 C ATOM 1583 CG ASN A 101 3.409 -12.356 9.905 1.00 0.00 C ATOM 1584 OD1 ASN A 101 4.595 -12.219 9.611 1.00 0.00 O ATOM 1585 ND2 ASN A 101 2.834 -13.533 9.837 1.00 0.00 N ATOM 0 H ASN A 101 4.157 -9.693 8.535 1.00 0.00 H new ATOM 0 HA ASN A 101 2.630 -9.172 11.016 1.00 0.00 H new ATOM 0 HB2 ASN A 101 2.174 -11.424 11.383 1.00 0.00 H new ATOM 0 HB3 ASN A 101 1.666 -11.128 9.733 1.00 0.00 H new ATOM 0 HD21 ASN A 101 3.371 -14.347 9.538 1.00 0.00 H new ATOM 0 HD22 ASN A 101 1.849 -13.635 10.083 1.00 0.00 H new ATOM 1592 N GLY A 102 4.715 -10.482 12.260 1.00 0.00 N ATOM 1593 CA GLY A 102 5.947 -10.536 13.037 1.00 0.00 C ATOM 1594 C GLY A 102 7.151 -11.138 12.309 1.00 0.00 C ATOM 1595 O GLY A 102 8.276 -10.914 12.754 1.00 0.00 O ATOM 0 H GLY A 102 3.931 -10.962 12.703 1.00 0.00 H new ATOM 0 HA2 GLY A 102 6.203 -9.525 13.354 1.00 0.00 H new ATOM 0 HA3 GLY A 102 5.762 -11.116 13.941 1.00 0.00 H new ATOM 1599 N LYS A 103 6.972 -11.851 11.193 1.00 0.00 N ATOM 1600 CA LYS A 103 8.047 -12.537 10.483 1.00 0.00 C ATOM 1601 C LYS A 103 8.322 -11.881 9.129 1.00 0.00 C ATOM 1602 O LYS A 103 9.484 -11.607 8.827 1.00 0.00 O ATOM 1603 CB LYS A 103 7.676 -14.027 10.402 1.00 0.00 C ATOM 1604 CG LYS A 103 8.834 -14.993 10.102 1.00 0.00 C ATOM 1605 CD LYS A 103 9.802 -15.150 11.285 1.00 0.00 C ATOM 1606 CE LYS A 103 10.891 -16.186 10.972 1.00 0.00 C ATOM 1607 NZ LYS A 103 12.043 -16.110 11.897 1.00 0.00 N ATOM 0 H LYS A 103 6.059 -11.967 10.753 1.00 0.00 H new ATOM 0 HA LYS A 103 8.993 -12.454 11.018 1.00 0.00 H new ATOM 0 HB2 LYS A 103 7.220 -14.320 11.348 1.00 0.00 H new ATOM 0 HB3 LYS A 103 6.916 -14.151 9.630 1.00 0.00 H new ATOM 0 HG2 LYS A 103 8.427 -15.970 9.840 1.00 0.00 H new ATOM 0 HG3 LYS A 103 9.385 -14.633 9.233 1.00 0.00 H new ATOM 0 HD2 LYS A 103 10.264 -14.189 11.511 1.00 0.00 H new ATOM 0 HD3 LYS A 103 9.249 -15.455 12.174 1.00 0.00 H new ATOM 0 HE2 LYS A 103 10.459 -17.185 11.020 1.00 0.00 H new ATOM 0 HE3 LYS A 103 11.242 -16.039 9.950 1.00 0.00 H new ATOM 0 HZ1 LYS A 103 12.745 -16.832 11.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 103 12.477 -15.167 11.834 1.00 0.00 H new ATOM 0 HZ3 LYS A 103 11.718 -16.278 12.871 1.00 0.00 H new ATOM 1621 N GLY A 104 7.297 -11.583 8.325 1.00 0.00 N ATOM 1622 CA GLY A 104 7.512 -11.061 6.980 1.00 0.00 C ATOM 1623 C GLY A 104 6.223 -10.567 6.336 1.00 0.00 C ATOM 1624 O GLY A 104 5.188 -10.451 6.997 1.00 0.00 O ATOM 0 H GLY A 104 6.317 -11.695 8.584 1.00 0.00 H new ATOM 0 HA2 GLY A 104 8.231 -10.243 7.021 1.00 0.00 H new ATOM 0 HA3 GLY A 104 7.951 -11.840 6.357 1.00 0.00 H new ATOM 1628 N GLU A 105 6.288 -10.262 5.037 1.00 0.00 N ATOM 1629 CA GLU A 105 5.144 -9.837 4.236 1.00 0.00 C ATOM 1630 C GLU A 105 4.748 -10.962 3.274 1.00 0.00 C ATOM 1631 O GLU A 105 5.600 -11.731 2.817 1.00 0.00 O ATOM 1632 CB GLU A 105 5.421 -8.480 3.557 1.00 0.00 C ATOM 1633 CG GLU A 105 6.443 -8.478 2.415 1.00 0.00 C ATOM 1634 CD GLU A 105 6.688 -7.063 1.868 1.00 0.00 C ATOM 1635 OE1 GLU A 105 5.778 -6.435 1.278 1.00 0.00 O ATOM 1636 OE2 GLU A 105 7.811 -6.535 2.017 1.00 0.00 O ATOM 0 H GLU A 105 7.157 -10.306 4.505 1.00 0.00 H new ATOM 0 HA GLU A 105 4.278 -9.658 4.874 1.00 0.00 H new ATOM 0 HB2 GLU A 105 4.478 -8.094 3.170 1.00 0.00 H new ATOM 0 HB3 GLU A 105 5.762 -7.781 4.320 1.00 0.00 H new ATOM 0 HG2 GLU A 105 7.384 -8.898 2.769 1.00 0.00 H new ATOM 0 HG3 GLU A 105 6.089 -9.122 1.610 1.00 0.00 H new ATOM 1643 N GLY A 106 3.449 -11.094 3.009 1.00 0.00 N ATOM 1644 CA GLY A 106 2.848 -12.232 2.314 1.00 0.00 C ATOM 1645 C GLY A 106 2.600 -11.991 0.823 1.00 0.00 C ATOM 1646 O GLY A 106 3.146 -11.045 0.257 1.00 0.00 O ATOM 0 H GLY A 106 2.764 -10.389 3.281 1.00 0.00 H new ATOM 0 HA2 GLY A 106 3.499 -13.099 2.428 1.00 0.00 H new ATOM 0 HA3 GLY A 106 1.901 -12.479 2.794 1.00 0.00 H new ATOM 1650 N PRO A 107 1.789 -12.837 0.160 1.00 0.00 N ATOM 1651 CA PRO A 107 1.348 -12.582 -1.209 1.00 0.00 C ATOM 1652 C PRO A 107 0.568 -11.283 -1.239 1.00 0.00 C ATOM 1653 O PRO A 107 -0.282 -11.038 -0.385 1.00 0.00 O ATOM 1654 CB PRO A 107 0.473 -13.770 -1.617 1.00 0.00 C ATOM 1655 CG PRO A 107 0.066 -14.426 -0.300 1.00 0.00 C ATOM 1656 CD PRO A 107 1.087 -13.973 0.742 1.00 0.00 C ATOM 0 HA PRO A 107 2.183 -12.482 -1.902 1.00 0.00 H new ATOM 0 HB2 PRO A 107 -0.400 -13.443 -2.182 1.00 0.00 H new ATOM 0 HB3 PRO A 107 1.022 -14.465 -2.252 1.00 0.00 H new ATOM 0 HG2 PRO A 107 -0.942 -14.126 -0.012 1.00 0.00 H new ATOM 0 HG3 PRO A 107 0.061 -15.512 -0.392 1.00 0.00 H new ATOM 0 HD2 PRO A 107 0.594 -13.690 1.672 1.00 0.00 H new ATOM 0 HD3 PRO A 107 1.782 -14.778 0.981 1.00 0.00 H new ATOM 1664 N ALA A 108 0.876 -10.439 -2.207 1.00 0.00 N ATOM 1665 CA ALA A 108 0.117 -9.234 -2.439 1.00 0.00 C ATOM 1666 C ALA A 108 -1.332 -9.587 -2.785 1.00 0.00 C ATOM 1667 O ALA A 108 -1.640 -10.693 -3.240 1.00 0.00 O ATOM 1668 CB ALA A 108 0.800 -8.496 -3.576 1.00 0.00 C ATOM 0 H ALA A 108 1.657 -10.573 -2.849 1.00 0.00 H new ATOM 0 HA ALA A 108 0.085 -8.602 -1.551 1.00 0.00 H new ATOM 0 HB1 ALA A 108 0.259 -7.574 -3.788 1.00 0.00 H new ATOM 0 HB2 ALA A 108 1.825 -8.258 -3.292 1.00 0.00 H new ATOM 0 HB3 ALA A 108 0.807 -9.125 -4.466 1.00 0.00 H new ATOM 1674 N SER A 109 -2.230 -8.634 -2.571 1.00 0.00 N ATOM 1675 CA SER A 109 -3.495 -8.594 -3.266 1.00 0.00 C ATOM 1676 C SER A 109 -3.222 -8.293 -4.748 1.00 0.00 C ATOM 1677 O SER A 109 -2.163 -7.744 -5.081 1.00 0.00 O ATOM 1678 CB SER A 109 -4.380 -7.528 -2.603 1.00 0.00 C ATOM 1679 OG SER A 109 -4.168 -6.214 -3.111 1.00 0.00 O ATOM 0 H SER A 109 -2.095 -7.870 -1.909 1.00 0.00 H new ATOM 0 HA SER A 109 -4.022 -9.546 -3.209 1.00 0.00 H new ATOM 0 HB2 SER A 109 -5.427 -7.798 -2.743 1.00 0.00 H new ATOM 0 HB3 SER A 109 -4.192 -7.528 -1.529 1.00 0.00 H new ATOM 0 HG SER A 109 -4.661 -6.105 -3.951 1.00 0.00 H new ATOM 1685 N PRO A 110 -4.206 -8.498 -5.634 1.00 0.00 N ATOM 1686 CA PRO A 110 -4.082 -8.066 -7.013 1.00 0.00 C ATOM 1687 C PRO A 110 -3.968 -6.541 -7.066 1.00 0.00 C ATOM 1688 O PRO A 110 -4.454 -5.823 -6.183 1.00 0.00 O ATOM 1689 CB PRO A 110 -5.330 -8.586 -7.727 1.00 0.00 C ATOM 1690 CG PRO A 110 -6.354 -8.651 -6.599 1.00 0.00 C ATOM 1691 CD PRO A 110 -5.528 -9.036 -5.379 1.00 0.00 C ATOM 0 HA PRO A 110 -3.187 -8.454 -7.499 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -5.649 -7.917 -8.526 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -5.161 -9.564 -8.178 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -6.854 -7.693 -6.457 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -7.130 -9.388 -6.805 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -5.954 -8.619 -4.467 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -5.495 -10.118 -5.250 1.00 0.00 H new ATOM 1699 N ASP A 111 -3.310 -6.079 -8.122 1.00 0.00 N ATOM 1700 CA ASP A 111 -2.941 -4.699 -8.396 1.00 0.00 C ATOM 1701 C ASP A 111 -4.219 -4.012 -8.893 1.00 0.00 C ATOM 1702 O ASP A 111 -4.650 -4.210 -10.034 1.00 0.00 O ATOM 1703 CB ASP A 111 -1.758 -4.631 -9.401 1.00 0.00 C ATOM 1704 CG ASP A 111 -0.576 -5.573 -9.079 1.00 0.00 C ATOM 1705 OD1 ASP A 111 -0.809 -6.804 -8.997 1.00 0.00 O ATOM 1706 OD2 ASP A 111 0.599 -5.161 -8.945 1.00 0.00 O ATOM 0 H ASP A 111 -2.998 -6.707 -8.863 1.00 0.00 H new ATOM 0 HA ASP A 111 -2.572 -4.182 -7.510 1.00 0.00 H new ATOM 0 HB2 ASP A 111 -2.132 -4.869 -10.397 1.00 0.00 H new ATOM 0 HB3 ASP A 111 -1.388 -3.606 -9.436 1.00 0.00 H new ATOM 1711 N ARG A 112 -4.923 -3.325 -7.990 1.00 0.00 N ATOM 1712 CA ARG A 112 -6.115 -2.530 -8.281 1.00 0.00 C ATOM 1713 C ARG A 112 -5.705 -1.215 -8.928 1.00 0.00 C ATOM 1714 O ARG A 112 -4.543 -0.815 -8.873 1.00 0.00 O ATOM 1715 CB ARG A 112 -6.902 -2.239 -6.984 1.00 0.00 C ATOM 1716 CG ARG A 112 -8.134 -3.126 -6.766 1.00 0.00 C ATOM 1717 CD ARG A 112 -9.142 -3.127 -7.919 1.00 0.00 C ATOM 1718 NE ARG A 112 -9.601 -1.778 -8.309 1.00 0.00 N ATOM 1719 CZ ARG A 112 -10.495 -1.533 -9.275 1.00 0.00 C ATOM 1720 NH1 ARG A 112 -11.066 -2.527 -9.944 1.00 0.00 N ATOM 1721 NH2 ARG A 112 -10.804 -0.286 -9.588 1.00 0.00 N ATOM 0 H ARG A 112 -4.669 -3.307 -7.002 1.00 0.00 H new ATOM 0 HA ARG A 112 -6.753 -3.094 -8.961 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -6.231 -2.359 -6.134 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -7.220 -1.196 -6.995 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -7.801 -4.149 -6.594 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -8.642 -2.799 -5.859 1.00 0.00 H new ATOM 0 HD2 ARG A 112 -8.690 -3.611 -8.784 1.00 0.00 H new ATOM 0 HD3 ARG A 112 -10.006 -3.727 -7.633 1.00 0.00 H new ATOM 0 HE ARG A 112 -9.211 -0.980 -7.809 1.00 0.00 H new ATOM 0 HH11 ARG A 112 -10.825 -3.494 -9.725 1.00 0.00 H new ATOM 0 HH12 ARG A 112 -11.745 -2.324 -10.677 1.00 0.00 H new ATOM 0 HH21 ARG A 112 -10.361 0.489 -9.094 1.00 0.00 H new ATOM 0 HH22 ARG A 112 -11.485 -0.099 -10.324 1.00 0.00 H new ATOM 1735 N VAL A 113 -6.691 -0.496 -9.463 1.00 0.00 N ATOM 1736 CA VAL A 113 -6.491 0.830 -10.041 1.00 0.00 C ATOM 1737 C VAL A 113 -7.555 1.817 -9.551 1.00 0.00 C ATOM 1738 O VAL A 113 -8.584 1.410 -8.996 1.00 0.00 O ATOM 1739 CB VAL A 113 -6.403 0.737 -11.574 1.00 0.00 C ATOM 1740 CG1 VAL A 113 -5.280 -0.207 -12.026 1.00 0.00 C ATOM 1741 CG2 VAL A 113 -7.725 0.251 -12.165 1.00 0.00 C ATOM 0 H VAL A 113 -7.657 -0.820 -9.507 1.00 0.00 H new ATOM 0 HA VAL A 113 -5.537 1.229 -9.695 1.00 0.00 H new ATOM 0 HB VAL A 113 -6.183 1.741 -11.937 1.00 0.00 H new ATOM 0 HG11 VAL A 113 -5.252 -0.244 -13.115 1.00 0.00 H new ATOM 0 HG12 VAL A 113 -4.324 0.159 -11.651 1.00 0.00 H new ATOM 0 HG13 VAL A 113 -5.465 -1.207 -11.634 1.00 0.00 H new ATOM 0 HG21 VAL A 113 -7.639 0.193 -13.250 1.00 0.00 H new ATOM 0 HG22 VAL A 113 -7.961 -0.736 -11.766 1.00 0.00 H new ATOM 0 HG23 VAL A 113 -8.520 0.948 -11.901 1.00 0.00 H new ATOM 1751 N PHE A 114 -7.310 3.113 -9.749 1.00 0.00 N ATOM 1752 CA PHE A 114 -8.248 4.221 -9.576 1.00 0.00 C ATOM 1753 C PHE A 114 -7.719 5.419 -10.367 1.00 0.00 C ATOM 1754 O PHE A 114 -6.511 5.506 -10.582 1.00 0.00 O ATOM 1755 CB PHE A 114 -8.383 4.583 -8.085 1.00 0.00 C ATOM 1756 CG PHE A 114 -7.101 4.970 -7.356 1.00 0.00 C ATOM 1757 CD1 PHE A 114 -6.197 3.972 -6.954 1.00 0.00 C ATOM 1758 CD2 PHE A 114 -6.823 6.311 -7.028 1.00 0.00 C ATOM 1759 CE1 PHE A 114 -5.028 4.302 -6.249 1.00 0.00 C ATOM 1760 CE2 PHE A 114 -5.679 6.636 -6.275 1.00 0.00 C ATOM 1761 CZ PHE A 114 -4.770 5.635 -5.896 1.00 0.00 C ATOM 0 H PHE A 114 -6.392 3.437 -10.054 1.00 0.00 H new ATOM 0 HA PHE A 114 -9.235 3.936 -9.941 1.00 0.00 H new ATOM 0 HB2 PHE A 114 -9.087 5.411 -7.998 1.00 0.00 H new ATOM 0 HB3 PHE A 114 -8.826 3.732 -7.567 1.00 0.00 H new ATOM 0 HD1 PHE A 114 -6.404 2.939 -7.190 1.00 0.00 H new ATOM 0 HD2 PHE A 114 -7.491 7.094 -7.356 1.00 0.00 H new ATOM 0 HE1 PHE A 114 -4.326 3.528 -5.978 1.00 0.00 H new ATOM 0 HE2 PHE A 114 -5.499 7.661 -5.987 1.00 0.00 H new ATOM 0 HZ PHE A 114 -3.881 5.889 -5.338 1.00 0.00 H new ATOM 1771 N ASN A 115 -8.570 6.369 -10.767 1.00 0.00 N ATOM 1772 CA ASN A 115 -8.169 7.670 -11.256 1.00 0.00 C ATOM 1773 C ASN A 115 -8.797 8.753 -10.404 1.00 0.00 C ATOM 1774 O ASN A 115 -9.962 8.636 -10.016 1.00 0.00 O ATOM 1775 CB ASN A 115 -8.576 7.892 -12.712 1.00 0.00 C ATOM 1776 CG ASN A 115 -10.047 8.226 -12.931 1.00 0.00 C ATOM 1777 OD1 ASN A 115 -10.872 7.317 -12.970 1.00 0.00 O ATOM 1778 ND2 ASN A 115 -10.404 9.486 -13.104 1.00 0.00 N ATOM 0 H ASN A 115 -9.582 6.240 -10.755 1.00 0.00 H new ATOM 0 HA ASN A 115 -7.082 7.714 -11.197 1.00 0.00 H new ATOM 0 HB2 ASN A 115 -7.971 8.701 -13.122 1.00 0.00 H new ATOM 0 HB3 ASN A 115 -8.335 6.994 -13.281 1.00 0.00 H new ATOM 0 HD21 ASN A 115 -11.382 9.720 -13.274 1.00 0.00 H new ATOM 0 HD22 ASN A 115 -9.702 10.225 -13.067 1.00 0.00 H new ATOM 1785 N THR A 116 -8.039 9.810 -10.144 1.00 0.00 N ATOM 1786 CA THR A 116 -8.535 10.992 -9.466 1.00 0.00 C ATOM 1787 C THR A 116 -9.429 11.826 -10.404 1.00 0.00 C ATOM 1788 O THR A 116 -9.254 11.750 -11.624 1.00 0.00 O ATOM 1789 CB THR A 116 -7.339 11.773 -8.890 1.00 0.00 C ATOM 1790 OG1 THR A 116 -6.184 11.665 -9.721 1.00 0.00 O ATOM 1791 CG2 THR A 116 -6.993 11.255 -7.494 1.00 0.00 C ATOM 0 H THR A 116 -7.054 9.868 -10.402 1.00 0.00 H new ATOM 0 HA THR A 116 -9.176 10.714 -8.630 1.00 0.00 H new ATOM 0 HB THR A 116 -7.634 12.821 -8.841 1.00 0.00 H new ATOM 0 HG1 THR A 116 -5.415 12.066 -9.265 1.00 0.00 H new ATOM 0 HG21 THR A 116 -6.146 11.815 -7.098 1.00 0.00 H new ATOM 0 HG22 THR A 116 -7.852 11.382 -6.835 1.00 0.00 H new ATOM 0 HG23 THR A 116 -6.734 10.198 -7.552 1.00 0.00 H new ATOM 1799 N PRO A 117 -10.371 12.622 -9.854 1.00 0.00 N ATOM 1800 CA PRO A 117 -11.436 13.265 -10.616 1.00 0.00 C ATOM 1801 C PRO A 117 -10.877 14.295 -11.595 1.00 0.00 C ATOM 1802 O PRO A 117 -10.872 14.051 -12.806 1.00 0.00 O ATOM 1803 CB PRO A 117 -12.410 13.851 -9.582 1.00 0.00 C ATOM 1804 CG PRO A 117 -11.583 13.975 -8.304 1.00 0.00 C ATOM 1805 CD PRO A 117 -10.609 12.812 -8.431 1.00 0.00 C ATOM 0 HA PRO A 117 -11.967 12.558 -11.253 1.00 0.00 H new ATOM 0 HB2 PRO A 117 -12.793 14.820 -9.902 1.00 0.00 H new ATOM 0 HB3 PRO A 117 -13.272 13.200 -9.435 1.00 0.00 H new ATOM 0 HG2 PRO A 117 -11.066 14.933 -8.246 1.00 0.00 H new ATOM 0 HG3 PRO A 117 -12.201 13.891 -7.410 1.00 0.00 H new ATOM 0 HD2 PRO A 117 -9.677 13.028 -7.908 1.00 0.00 H new ATOM 0 HD3 PRO A 117 -11.024 11.909 -7.984 1.00 0.00 H new ATOM 1813 N GLU A 118 -10.412 15.450 -11.102 1.00 0.00 N ATOM 1814 CA GLU A 118 -9.834 16.463 -11.974 1.00 0.00 C ATOM 1815 C GLU A 118 -8.913 17.452 -11.264 1.00 0.00 C ATOM 1816 O GLU A 118 -7.899 17.844 -11.831 1.00 0.00 O ATOM 1817 CB GLU A 118 -10.949 17.243 -12.659 1.00 0.00 C ATOM 1818 CG GLU A 118 -10.406 18.135 -13.783 1.00 0.00 C ATOM 1819 CD GLU A 118 -11.541 18.928 -14.427 1.00 0.00 C ATOM 1820 OE1 GLU A 118 -12.396 19.460 -13.673 1.00 0.00 O ATOM 1821 OE2 GLU A 118 -11.574 19.058 -15.671 1.00 0.00 O ATOM 0 H GLU A 118 -10.427 15.699 -10.113 1.00 0.00 H new ATOM 0 HA GLU A 118 -9.220 15.920 -12.692 1.00 0.00 H new ATOM 0 HB2 GLU A 118 -11.682 16.548 -13.068 1.00 0.00 H new ATOM 0 HB3 GLU A 118 -11.468 17.858 -11.924 1.00 0.00 H new ATOM 0 HG2 GLU A 118 -9.657 18.819 -13.384 1.00 0.00 H new ATOM 0 HG3 GLU A 118 -9.910 17.522 -14.535 1.00 0.00 H new ATOM 1828 N GLY A 119 -9.254 17.892 -10.057 1.00 0.00 N ATOM 1829 CA GLY A 119 -8.581 19.035 -9.447 1.00 0.00 C ATOM 1830 C GLY A 119 -9.471 19.725 -8.429 1.00 0.00 C ATOM 1831 O GLY A 119 -10.364 19.089 -7.861 1.00 0.00 O ATOM 0 H GLY A 119 -9.989 17.477 -9.484 1.00 0.00 H new ATOM 0 HA2 GLY A 119 -7.663 18.702 -8.963 1.00 0.00 H new ATOM 0 HA3 GLY A 119 -8.294 19.746 -10.222 1.00 0.00 H new ATOM 1835 N SER A 120 -9.208 21.001 -8.160 1.00 0.00 N ATOM 1836 CA SER A 120 -9.994 21.815 -7.242 1.00 0.00 C ATOM 1837 C SER A 120 -10.240 23.159 -7.925 1.00 0.00 C ATOM 1838 O SER A 120 -9.383 24.047 -7.871 1.00 0.00 O ATOM 1839 CB SER A 120 -9.273 21.966 -5.892 1.00 0.00 C ATOM 1840 OG SER A 120 -8.721 20.738 -5.439 1.00 0.00 O ATOM 0 H SER A 120 -8.429 21.506 -8.582 1.00 0.00 H new ATOM 0 HA SER A 120 -10.950 21.342 -7.017 1.00 0.00 H new ATOM 0 HB2 SER A 120 -8.479 22.706 -5.987 1.00 0.00 H new ATOM 0 HB3 SER A 120 -9.974 22.344 -5.148 1.00 0.00 H new ATOM 0 HG SER A 120 -8.271 20.879 -4.580 1.00 0.00 H new ATOM 1846 N GLY A 121 -11.359 23.291 -8.639 1.00 0.00 N ATOM 1847 CA GLY A 121 -11.739 24.501 -9.352 1.00 0.00 C ATOM 1848 C GLY A 121 -13.011 25.118 -8.772 1.00 0.00 C ATOM 1849 O GLY A 121 -13.709 24.482 -7.969 1.00 0.00 O ATOM 0 H GLY A 121 -12.040 22.538 -8.737 1.00 0.00 H new ATOM 0 HA2 GLY A 121 -10.926 25.225 -9.300 1.00 0.00 H new ATOM 0 HA3 GLY A 121 -11.894 24.270 -10.406 1.00 0.00 H new ATOM 1853 N PRO A 122 -13.332 26.364 -9.155 1.00 0.00 N ATOM 1854 CA PRO A 122 -14.620 26.967 -8.865 1.00 0.00 C ATOM 1855 C PRO A 122 -15.676 26.333 -9.777 1.00 0.00 C ATOM 1856 O PRO A 122 -15.474 26.252 -10.987 1.00 0.00 O ATOM 1857 CB PRO A 122 -14.430 28.458 -9.164 1.00 0.00 C ATOM 1858 CG PRO A 122 -13.380 28.477 -10.278 1.00 0.00 C ATOM 1859 CD PRO A 122 -12.518 27.248 -9.980 1.00 0.00 C ATOM 0 HA PRO A 122 -14.954 26.818 -7.838 1.00 0.00 H new ATOM 0 HB2 PRO A 122 -15.362 28.923 -9.485 1.00 0.00 H new ATOM 0 HB3 PRO A 122 -14.089 29.002 -8.283 1.00 0.00 H new ATOM 0 HG2 PRO A 122 -13.840 28.414 -11.264 1.00 0.00 H new ATOM 0 HG3 PRO A 122 -12.791 29.394 -10.259 1.00 0.00 H new ATOM 0 HD2 PRO A 122 -12.218 26.751 -10.903 1.00 0.00 H new ATOM 0 HD3 PRO A 122 -11.604 27.532 -9.459 1.00 0.00 H new ATOM 1867 N SER A 123 -16.827 25.945 -9.223 1.00 0.00 N ATOM 1868 CA SER A 123 -17.975 25.557 -10.042 1.00 0.00 C ATOM 1869 C SER A 123 -18.466 26.754 -10.888 1.00 0.00 C ATOM 1870 O SER A 123 -19.060 26.562 -11.943 1.00 0.00 O ATOM 1871 CB SER A 123 -19.049 24.954 -9.125 1.00 0.00 C ATOM 1872 OG SER A 123 -19.946 24.116 -9.828 1.00 0.00 O ATOM 0 H SER A 123 -16.987 25.892 -8.217 1.00 0.00 H new ATOM 0 HA SER A 123 -17.700 24.790 -10.765 1.00 0.00 H new ATOM 0 HB2 SER A 123 -18.567 24.382 -8.332 1.00 0.00 H new ATOM 0 HB3 SER A 123 -19.607 25.758 -8.645 1.00 0.00 H new ATOM 0 HG SER A 123 -20.611 23.753 -9.206 1.00 0.00 H new ATOM 1878 N SER A 124 -18.137 27.989 -10.484 1.00 0.00 N ATOM 1879 CA SER A 124 -18.283 29.238 -11.234 1.00 0.00 C ATOM 1880 C SER A 124 -19.732 29.720 -11.402 1.00 0.00 C ATOM 1881 O SER A 124 -19.938 30.823 -11.909 1.00 0.00 O ATOM 1882 CB SER A 124 -17.520 29.158 -12.564 1.00 0.00 C ATOM 1883 OG SER A 124 -17.257 30.458 -13.054 1.00 0.00 O ATOM 0 H SER A 124 -17.734 28.149 -9.561 1.00 0.00 H new ATOM 0 HA SER A 124 -17.826 30.017 -10.624 1.00 0.00 H new ATOM 0 HB2 SER A 124 -16.584 28.618 -12.423 1.00 0.00 H new ATOM 0 HB3 SER A 124 -18.104 28.597 -13.294 1.00 0.00 H new ATOM 0 HG SER A 124 -17.994 31.056 -12.808 1.00 0.00 H new ATOM 1889 N GLY A 125 -20.708 28.959 -10.922 1.00 0.00 N ATOM 1890 CA GLY A 125 -21.950 29.440 -10.355 1.00 0.00 C ATOM 1891 C GLY A 125 -21.995 28.897 -8.941 1.00 0.00 C ATOM 1892 O GLY A 125 -21.276 27.904 -8.673 1.00 0.00 O ATOM 0 H GLY A 125 -20.646 27.941 -10.920 1.00 0.00 H new ATOM 0 HA2 GLY A 125 -21.985 30.529 -10.357 1.00 0.00 H new ATOM 0 HA3 GLY A 125 -22.805 29.093 -10.935 1.00 0.00 H new TER 1896 GLY A 125