USER MOD reduce.3.24.130724 H: found=0, std=0, add=885, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 883 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 89 ASN : amide:sc= -5.58! C(o=-5.6!,f=-5.3!) USER MOD Set 1.2: A 94 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ -123:sc= 0.0809 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc=-0.00788 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 8 THR OG1 : rot 180:sc= 0 USER MOD Single : A 11 SER OG : rot 180:sc= 0 USER MOD Single : A 13 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 22 ASN : amide:sc= -1.16 K(o=-1.2,f=-0.011!) USER MOD Single : A 23 LYS NZ :NH3+ -102:sc= -0.908 (180deg=-3.09!) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 29 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 31 GLN : amide:sc= -2.85! C(o=-2.9!,f=-3.5!) USER MOD Single : A 34 ASN : amide:sc= -0.686 K(o=-0.69,f=-4.6!) USER MOD Single : A 35 MET CE :methyl 164:sc= -0.0782 (180deg=-0.508) USER MOD Single : A 36 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 THR OG1 : rot 180:sc= -0.214 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 44 ASN : amide:sc= -0.948 X(o=-0.95,f=-1.3) USER MOD Single : A 46 GLN : amide:sc= 0 K(o=0,f=-0.73) USER MOD Single : A 51 THR OG1 : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 180:sc= -0.0742 USER MOD Single : A 57 GLN : amide:sc= -0.0479 K(o=-0.048,f=-1.2!) USER MOD Single : A 59 SER OG : rot 180:sc= 0 USER MOD Single : A 62 LYS NZ :NH3+ -133:sc= -0.55 (180deg=-2.05) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 HIS : no HD1:sc= -1.45 K(o=-1.5,f=0) USER MOD Single : A 69 THR OG1 : rot 180:sc= -0.0231 USER MOD Single : A 71 MET CE :methyl -147:sc= -0.0839 (180deg=-0.668) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 76 GLN : amide:sc= -6.39! C(o=-6.4!,f=-7!) USER MOD Single : A 77 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= 0 X(o=0,f=-0.13) USER MOD Single : A 80 TYR OH : rot 180:sc= 0 USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 90 SER OG : rot 180:sc= 0 USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 95 ASN : amide:sc= -2.24 K(o=-2.2,f=-8.4!) USER MOD Single : A 96 MET CE :methyl -107:sc= -1.34 (180deg=-5.36!) USER MOD Single : A 98 SER OG : rot 180:sc= 0 USER MOD Single : A 103 HIS : no HD1:sc= -0.329 X(o=-0.33,f=-0.0025) USER MOD Single : A 107 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00172) USER MOD Single : A 110 SER OG : rot 180:sc= 0 USER MOD Single : A 113 SER OG : rot 180:sc= 0 USER MOD Single : A 114 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -15.754 29.668 6.794 1.00 0.00 N ATOM 2 CA GLY A 1 -16.385 29.157 7.997 1.00 0.00 C ATOM 3 C GLY A 1 -15.432 28.345 8.852 1.00 0.00 C ATOM 4 O GLY A 1 -14.259 28.190 8.510 1.00 0.00 O ATOM 0 H1 GLY A 1 -15.844 30.704 6.768 1.00 0.00 H new ATOM 0 H2 GLY A 1 -14.747 29.408 6.793 1.00 0.00 H new ATOM 0 H3 GLY A 1 -16.218 29.259 5.958 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -16.773 29.991 8.582 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -17.238 28.537 7.721 1.00 0.00 H new ATOM 8 N SER A 2 -15.935 27.828 9.968 1.00 0.00 N ATOM 9 CA SER A 2 -15.118 27.032 10.877 1.00 0.00 C ATOM 10 C SER A 2 -15.991 26.294 11.887 1.00 0.00 C ATOM 11 O SER A 2 -17.143 26.664 12.116 1.00 0.00 O ATOM 12 CB SER A 2 -14.115 27.925 11.609 1.00 0.00 C ATOM 13 OG SER A 2 -13.220 27.153 12.390 1.00 0.00 O ATOM 0 H SER A 2 -16.904 27.946 10.265 1.00 0.00 H new ATOM 0 HA SER A 2 -14.574 26.295 10.286 1.00 0.00 H new ATOM 0 HB2 SER A 2 -13.554 28.516 10.885 1.00 0.00 H new ATOM 0 HB3 SER A 2 -14.648 28.627 12.249 1.00 0.00 H new ATOM 0 HG SER A 2 -12.588 27.747 12.846 1.00 0.00 H new ATOM 19 N SER A 3 -15.434 25.249 12.490 1.00 0.00 N ATOM 20 CA SER A 3 -16.162 24.456 13.473 1.00 0.00 C ATOM 21 C SER A 3 -15.201 23.649 14.340 1.00 0.00 C ATOM 22 O SER A 3 -14.450 22.812 13.841 1.00 0.00 O ATOM 23 CB SER A 3 -17.147 23.516 12.774 1.00 0.00 C ATOM 24 OG SER A 3 -17.812 22.686 13.710 1.00 0.00 O ATOM 0 H SER A 3 -14.481 24.932 12.315 1.00 0.00 H new ATOM 0 HA SER A 3 -16.717 25.140 14.115 1.00 0.00 H new ATOM 0 HB2 SER A 3 -17.879 24.100 12.217 1.00 0.00 H new ATOM 0 HB3 SER A 3 -16.614 22.899 12.050 1.00 0.00 H new ATOM 0 HG SER A 3 -18.437 22.096 13.238 1.00 0.00 H new ATOM 30 N GLY A 4 -15.230 23.907 15.644 1.00 0.00 N ATOM 31 CA GLY A 4 -14.357 23.198 16.561 1.00 0.00 C ATOM 32 C GLY A 4 -15.095 22.152 17.372 1.00 0.00 C ATOM 33 O GLY A 4 -14.934 22.073 18.590 1.00 0.00 O ATOM 0 H GLY A 4 -15.843 24.595 16.082 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -13.556 22.718 15.998 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -13.888 23.913 17.237 1.00 0.00 H new ATOM 37 N SER A 5 -15.908 21.346 16.696 1.00 0.00 N ATOM 38 CA SER A 5 -16.678 20.303 17.362 1.00 0.00 C ATOM 39 C SER A 5 -15.807 19.083 17.648 1.00 0.00 C ATOM 40 O SER A 5 -14.886 18.774 16.893 1.00 0.00 O ATOM 41 CB SER A 5 -17.877 19.897 16.503 1.00 0.00 C ATOM 42 OG SER A 5 -18.835 19.185 17.267 1.00 0.00 O ATOM 0 H SER A 5 -16.050 21.396 15.687 1.00 0.00 H new ATOM 0 HA SER A 5 -17.038 20.702 18.311 1.00 0.00 H new ATOM 0 HB2 SER A 5 -18.338 20.786 16.073 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.539 19.279 15.671 1.00 0.00 H new ATOM 0 HG SER A 5 -19.592 18.939 16.695 1.00 0.00 H new ATOM 48 N SER A 6 -16.106 18.394 18.745 1.00 0.00 N ATOM 49 CA SER A 6 -15.349 17.211 19.134 1.00 0.00 C ATOM 50 C SER A 6 -15.628 16.050 18.184 1.00 0.00 C ATOM 51 O SER A 6 -16.640 15.361 18.308 1.00 0.00 O ATOM 52 CB SER A 6 -15.697 16.806 20.568 1.00 0.00 C ATOM 53 OG SER A 6 -14.856 17.462 21.501 1.00 0.00 O ATOM 0 H SER A 6 -16.867 18.635 19.380 1.00 0.00 H new ATOM 0 HA SER A 6 -14.288 17.455 19.080 1.00 0.00 H new ATOM 0 HB2 SER A 6 -16.738 17.052 20.776 1.00 0.00 H new ATOM 0 HB3 SER A 6 -15.596 15.726 20.679 1.00 0.00 H new ATOM 0 HG SER A 6 -15.099 17.188 22.410 1.00 0.00 H new ATOM 59 N GLY A 7 -14.722 15.840 17.234 1.00 0.00 N ATOM 60 CA GLY A 7 -14.888 14.762 16.276 1.00 0.00 C ATOM 61 C GLY A 7 -14.079 14.980 15.013 1.00 0.00 C ATOM 62 O GLY A 7 -14.519 15.676 14.097 1.00 0.00 O ATOM 0 H GLY A 7 -13.876 16.397 17.111 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.589 13.821 16.737 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -15.943 14.669 16.017 1.00 0.00 H new ATOM 66 N THR A 8 -12.892 14.385 14.962 1.00 0.00 N ATOM 67 CA THR A 8 -12.018 14.520 13.803 1.00 0.00 C ATOM 68 C THR A 8 -12.422 13.554 12.695 1.00 0.00 C ATOM 69 O THR A 8 -12.745 13.972 11.583 1.00 0.00 O ATOM 70 CB THR A 8 -10.545 14.267 14.178 1.00 0.00 C ATOM 71 OG1 THR A 8 -10.190 15.048 15.324 1.00 0.00 O ATOM 72 CG2 THR A 8 -9.625 14.614 13.017 1.00 0.00 C ATOM 0 H THR A 8 -12.513 13.804 15.710 1.00 0.00 H new ATOM 0 HA THR A 8 -12.123 15.544 13.445 1.00 0.00 H new ATOM 0 HB THR A 8 -10.428 13.208 14.410 1.00 0.00 H new ATOM 0 HG1 THR A 8 -9.253 14.880 15.557 1.00 0.00 H new ATOM 0 HG21 THR A 8 -8.590 14.428 13.304 1.00 0.00 H new ATOM 0 HG22 THR A 8 -9.879 13.997 12.155 1.00 0.00 H new ATOM 0 HG23 THR A 8 -9.746 15.666 12.759 1.00 0.00 H new ATOM 80 N GLU A 9 -12.402 12.262 13.006 1.00 0.00 N ATOM 81 CA GLU A 9 -12.766 11.238 12.035 1.00 0.00 C ATOM 82 C GLU A 9 -14.240 10.864 12.165 1.00 0.00 C ATOM 83 O GLU A 9 -14.597 9.686 12.141 1.00 0.00 O ATOM 84 CB GLU A 9 -11.895 9.993 12.221 1.00 0.00 C ATOM 85 CG GLU A 9 -10.412 10.253 12.020 1.00 0.00 C ATOM 86 CD GLU A 9 -10.009 10.233 10.558 1.00 0.00 C ATOM 87 OE1 GLU A 9 -10.272 9.214 9.885 1.00 0.00 O ATOM 88 OE2 GLU A 9 -9.431 11.235 10.088 1.00 0.00 O ATOM 0 H GLU A 9 -12.138 11.900 13.922 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.598 11.644 11.038 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -12.053 9.596 13.224 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.219 9.225 11.519 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -10.155 11.221 12.451 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -9.838 9.501 12.561 1.00 0.00 H new ATOM 95 N ASP A 10 -15.090 11.875 12.303 1.00 0.00 N ATOM 96 CA ASP A 10 -16.526 11.655 12.436 1.00 0.00 C ATOM 97 C ASP A 10 -17.244 11.937 11.120 1.00 0.00 C ATOM 98 O ASP A 10 -18.098 11.162 10.689 1.00 0.00 O ATOM 99 CB ASP A 10 -17.099 12.540 13.544 1.00 0.00 C ATOM 100 CG ASP A 10 -18.480 12.096 13.984 1.00 0.00 C ATOM 101 OD1 ASP A 10 -18.580 11.052 14.662 1.00 0.00 O ATOM 102 OD2 ASP A 10 -19.461 12.793 13.650 1.00 0.00 O ATOM 0 H ASP A 10 -14.810 12.856 12.326 1.00 0.00 H new ATOM 0 HA ASP A 10 -16.685 10.609 12.698 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -16.426 12.526 14.401 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.147 13.571 13.193 1.00 0.00 H new ATOM 107 N SER A 11 -16.892 13.052 10.487 1.00 0.00 N ATOM 108 CA SER A 11 -17.507 13.439 9.223 1.00 0.00 C ATOM 109 C SER A 11 -16.442 13.771 8.181 1.00 0.00 C ATOM 110 O SER A 11 -16.209 14.938 7.865 1.00 0.00 O ATOM 111 CB SER A 11 -18.429 14.642 9.427 1.00 0.00 C ATOM 112 OG SER A 11 -18.969 15.086 8.194 1.00 0.00 O ATOM 0 H SER A 11 -16.185 13.703 10.829 1.00 0.00 H new ATOM 0 HA SER A 11 -18.096 12.597 8.861 1.00 0.00 H new ATOM 0 HB2 SER A 11 -19.238 14.373 10.106 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.874 15.454 9.898 1.00 0.00 H new ATOM 0 HG SER A 11 -19.556 15.855 8.352 1.00 0.00 H new ATOM 118 N LEU A 12 -15.800 12.736 7.651 1.00 0.00 N ATOM 119 CA LEU A 12 -14.760 12.916 6.644 1.00 0.00 C ATOM 120 C LEU A 12 -15.348 12.861 5.238 1.00 0.00 C ATOM 121 O LEU A 12 -16.028 11.902 4.876 1.00 0.00 O ATOM 122 CB LEU A 12 -13.680 11.843 6.800 1.00 0.00 C ATOM 123 CG LEU A 12 -12.669 12.067 7.925 1.00 0.00 C ATOM 124 CD1 LEU A 12 -12.020 10.752 8.328 1.00 0.00 C ATOM 125 CD2 LEU A 12 -11.614 13.078 7.501 1.00 0.00 C ATOM 0 H LEU A 12 -15.981 11.764 7.901 1.00 0.00 H new ATOM 0 HA LEU A 12 -14.312 13.898 6.792 1.00 0.00 H new ATOM 0 HB2 LEU A 12 -14.170 10.884 6.965 1.00 0.00 H new ATOM 0 HB3 LEU A 12 -13.135 11.765 5.859 1.00 0.00 H new ATOM 0 HG LEU A 12 -13.199 12.467 8.790 1.00 0.00 H new ATOM 0 HD11 LEU A 12 -11.303 10.931 9.130 1.00 0.00 H new ATOM 0 HD12 LEU A 12 -12.787 10.059 8.674 1.00 0.00 H new ATOM 0 HD13 LEU A 12 -11.504 10.323 7.469 1.00 0.00 H new ATOM 0 HD21 LEU A 12 -10.903 13.225 8.314 1.00 0.00 H new ATOM 0 HD22 LEU A 12 -11.088 12.707 6.621 1.00 0.00 H new ATOM 0 HD23 LEU A 12 -12.094 14.027 7.263 1.00 0.00 H new ATOM 137 N MET A 13 -15.078 13.896 4.449 1.00 0.00 N ATOM 138 CA MET A 13 -15.578 13.963 3.080 1.00 0.00 C ATOM 139 C MET A 13 -15.652 12.572 2.459 1.00 0.00 C ATOM 140 O MET A 13 -14.803 11.714 2.698 1.00 0.00 O ATOM 141 CB MET A 13 -14.682 14.867 2.231 1.00 0.00 C ATOM 142 CG MET A 13 -15.445 15.687 1.204 1.00 0.00 C ATOM 143 SD MET A 13 -14.603 17.223 0.778 1.00 0.00 S ATOM 144 CE MET A 13 -15.734 18.431 1.462 1.00 0.00 C ATOM 0 H MET A 13 -14.517 14.699 4.733 1.00 0.00 H new ATOM 0 HA MET A 13 -16.584 14.383 3.107 1.00 0.00 H new ATOM 0 HB2 MET A 13 -14.134 15.542 2.888 1.00 0.00 H new ATOM 0 HB3 MET A 13 -13.943 14.253 1.717 1.00 0.00 H new ATOM 0 HG2 MET A 13 -15.586 15.092 0.302 1.00 0.00 H new ATOM 0 HG3 MET A 13 -16.437 15.917 1.593 1.00 0.00 H new ATOM 0 HE1 MET A 13 -15.350 19.434 1.278 1.00 0.00 H new ATOM 0 HE2 MET A 13 -16.710 18.324 0.989 1.00 0.00 H new ATOM 0 HE3 MET A 13 -15.831 18.271 2.536 1.00 0.00 H new ATOM 154 N PRO A 14 -16.691 12.342 1.643 1.00 0.00 N ATOM 155 CA PRO A 14 -16.900 11.056 0.971 1.00 0.00 C ATOM 156 C PRO A 14 -15.863 10.794 -0.116 1.00 0.00 C ATOM 157 O PRO A 14 -14.854 11.494 -0.204 1.00 0.00 O ATOM 158 CB PRO A 14 -18.294 11.199 0.356 1.00 0.00 C ATOM 159 CG PRO A 14 -18.480 12.666 0.177 1.00 0.00 C ATOM 160 CD PRO A 14 -17.742 13.319 1.313 1.00 0.00 C ATOM 0 HA PRO A 14 -16.807 10.217 1.660 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -18.363 10.672 -0.596 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -19.060 10.780 1.009 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -18.086 12.995 -0.785 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -19.537 12.930 0.195 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -17.320 14.280 1.018 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -18.398 13.506 2.163 1.00 0.00 H new ATOM 168 N GLU A 15 -16.118 9.783 -0.940 1.00 0.00 N ATOM 169 CA GLU A 15 -15.205 9.430 -2.021 1.00 0.00 C ATOM 170 C GLU A 15 -15.633 10.085 -3.331 1.00 0.00 C ATOM 171 O GLU A 15 -14.840 10.757 -3.989 1.00 0.00 O ATOM 172 CB GLU A 15 -15.145 7.911 -2.192 1.00 0.00 C ATOM 173 CG GLU A 15 -13.891 7.428 -2.902 1.00 0.00 C ATOM 174 CD GLU A 15 -13.948 5.952 -3.246 1.00 0.00 C ATOM 175 OE1 GLU A 15 -13.948 5.124 -2.312 1.00 0.00 O ATOM 176 OE2 GLU A 15 -13.993 5.626 -4.451 1.00 0.00 O ATOM 0 H GLU A 15 -16.949 9.194 -0.880 1.00 0.00 H new ATOM 0 HA GLU A 15 -14.213 9.798 -1.759 1.00 0.00 H new ATOM 0 HB2 GLU A 15 -15.201 7.441 -1.210 1.00 0.00 H new ATOM 0 HB3 GLU A 15 -16.020 7.582 -2.753 1.00 0.00 H new ATOM 0 HG2 GLU A 15 -13.750 8.005 -3.816 1.00 0.00 H new ATOM 0 HG3 GLU A 15 -13.024 7.617 -2.269 1.00 0.00 H new ATOM 183 N GLU A 16 -16.894 9.882 -3.702 1.00 0.00 N ATOM 184 CA GLU A 16 -17.427 10.450 -4.934 1.00 0.00 C ATOM 185 C GLU A 16 -16.917 11.874 -5.142 1.00 0.00 C ATOM 186 O GLU A 16 -16.130 12.135 -6.051 1.00 0.00 O ATOM 187 CB GLU A 16 -18.957 10.444 -4.904 1.00 0.00 C ATOM 188 CG GLU A 16 -19.572 9.174 -5.467 1.00 0.00 C ATOM 189 CD GLU A 16 -20.978 8.931 -4.955 1.00 0.00 C ATOM 190 OE1 GLU A 16 -21.129 8.623 -3.754 1.00 0.00 O ATOM 191 OE2 GLU A 16 -21.929 9.048 -5.757 1.00 0.00 O ATOM 0 H GLU A 16 -17.564 9.329 -3.167 1.00 0.00 H new ATOM 0 HA GLU A 16 -17.084 9.835 -5.766 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -19.292 10.575 -3.875 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -19.326 11.299 -5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -19.591 9.235 -6.555 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.942 8.323 -5.207 1.00 0.00 H new ATOM 198 N GLU A 17 -17.373 12.789 -4.293 1.00 0.00 N ATOM 199 CA GLU A 17 -16.964 14.186 -4.384 1.00 0.00 C ATOM 200 C GLU A 17 -15.443 14.308 -4.397 1.00 0.00 C ATOM 201 O GLU A 17 -14.862 14.875 -5.323 1.00 0.00 O ATOM 202 CB GLU A 17 -17.541 14.987 -3.215 1.00 0.00 C ATOM 203 CG GLU A 17 -18.927 15.546 -3.486 1.00 0.00 C ATOM 204 CD GLU A 17 -19.367 16.549 -2.438 1.00 0.00 C ATOM 205 OE1 GLU A 17 -18.713 17.606 -2.315 1.00 0.00 O ATOM 206 OE2 GLU A 17 -20.366 16.277 -1.739 1.00 0.00 O ATOM 0 H GLU A 17 -18.025 12.589 -3.535 1.00 0.00 H new ATOM 0 HA GLU A 17 -17.352 14.591 -5.319 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -17.582 14.348 -2.333 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -16.866 15.810 -2.981 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -18.937 16.023 -4.466 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -19.644 14.726 -3.523 1.00 0.00 H new ATOM 213 N PHE A 18 -14.803 13.771 -3.363 1.00 0.00 N ATOM 214 CA PHE A 18 -13.350 13.821 -3.253 1.00 0.00 C ATOM 215 C PHE A 18 -12.695 13.640 -4.619 1.00 0.00 C ATOM 216 O PHE A 18 -12.048 14.552 -5.136 1.00 0.00 O ATOM 217 CB PHE A 18 -12.853 12.741 -2.290 1.00 0.00 C ATOM 218 CG PHE A 18 -11.456 12.978 -1.792 1.00 0.00 C ATOM 219 CD1 PHE A 18 -11.185 14.021 -0.921 1.00 0.00 C ATOM 220 CD2 PHE A 18 -10.414 12.159 -2.195 1.00 0.00 C ATOM 221 CE1 PHE A 18 -9.901 14.242 -0.462 1.00 0.00 C ATOM 222 CE2 PHE A 18 -9.127 12.375 -1.739 1.00 0.00 C ATOM 223 CZ PHE A 18 -8.871 13.417 -0.870 1.00 0.00 C ATOM 0 H PHE A 18 -15.268 13.296 -2.589 1.00 0.00 H new ATOM 0 HA PHE A 18 -13.073 14.801 -2.864 1.00 0.00 H new ATOM 0 HB2 PHE A 18 -13.530 12.687 -1.437 1.00 0.00 H new ATOM 0 HB3 PHE A 18 -12.892 11.773 -2.790 1.00 0.00 H new ATOM 0 HD1 PHE A 18 -11.987 14.668 -0.597 1.00 0.00 H new ATOM 0 HD2 PHE A 18 -10.609 11.342 -2.874 1.00 0.00 H new ATOM 0 HE1 PHE A 18 -9.703 15.059 0.215 1.00 0.00 H new ATOM 0 HE2 PHE A 18 -8.323 11.730 -2.062 1.00 0.00 H new ATOM 0 HZ PHE A 18 -7.867 13.587 -0.510 1.00 0.00 H new ATOM 233 N LEU A 19 -12.867 12.457 -5.199 1.00 0.00 N ATOM 234 CA LEU A 19 -12.293 12.155 -6.506 1.00 0.00 C ATOM 235 C LEU A 19 -12.497 13.317 -7.473 1.00 0.00 C ATOM 236 O LEU A 19 -11.583 13.697 -8.205 1.00 0.00 O ATOM 237 CB LEU A 19 -12.921 10.884 -7.079 1.00 0.00 C ATOM 238 CG LEU A 19 -12.818 9.632 -6.207 1.00 0.00 C ATOM 239 CD1 LEU A 19 -13.498 8.452 -6.884 1.00 0.00 C ATOM 240 CD2 LEU A 19 -11.361 9.310 -5.908 1.00 0.00 C ATOM 0 H LEU A 19 -13.399 11.692 -4.785 1.00 0.00 H new ATOM 0 HA LEU A 19 -11.222 11.998 -6.377 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -13.975 11.080 -7.275 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -12.452 10.673 -8.040 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.328 9.826 -5.264 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -13.414 7.570 -6.249 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -14.551 8.683 -7.047 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.017 8.256 -7.842 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -11.306 8.416 -5.286 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -10.828 9.135 -6.843 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -10.904 10.147 -5.381 1.00 0.00 H new ATOM 252 N ARG A 20 -13.701 13.880 -7.468 1.00 0.00 N ATOM 253 CA ARG A 20 -14.025 15.000 -8.343 1.00 0.00 C ATOM 254 C ARG A 20 -13.151 16.209 -8.025 1.00 0.00 C ATOM 255 O ARG A 20 -12.788 16.977 -8.916 1.00 0.00 O ATOM 256 CB ARG A 20 -15.502 15.373 -8.203 1.00 0.00 C ATOM 257 CG ARG A 20 -16.453 14.233 -8.531 1.00 0.00 C ATOM 258 CD ARG A 20 -17.891 14.593 -8.194 1.00 0.00 C ATOM 259 NE ARG A 20 -18.701 13.409 -7.916 1.00 0.00 N ATOM 260 CZ ARG A 20 -19.999 13.455 -7.642 1.00 0.00 C ATOM 261 NH1 ARG A 20 -20.633 14.620 -7.609 1.00 0.00 N ATOM 262 NH2 ARG A 20 -20.668 12.335 -7.400 1.00 0.00 N ATOM 0 H ARG A 20 -14.468 13.579 -6.867 1.00 0.00 H new ATOM 0 HA ARG A 20 -13.831 14.694 -9.371 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -15.688 15.708 -7.182 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -15.719 16.216 -8.859 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -16.377 13.988 -9.590 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -16.160 13.342 -7.976 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -17.906 15.254 -7.327 1.00 0.00 H new ATOM 0 HD3 ARG A 20 -18.330 15.146 -9.024 1.00 0.00 H new ATOM 0 HE ARG A 20 -18.244 12.497 -7.933 1.00 0.00 H new ATOM 0 HH11 ARG A 20 -20.123 15.484 -7.795 1.00 0.00 H new ATOM 0 HH12 ARG A 20 -21.630 14.652 -7.398 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -20.185 11.437 -7.424 1.00 0.00 H new ATOM 0 HH22 ARG A 20 -21.665 12.372 -7.190 1.00 0.00 H new ATOM 276 N ARG A 21 -12.818 16.372 -6.749 1.00 0.00 N ATOM 277 CA ARG A 21 -11.988 17.489 -6.312 1.00 0.00 C ATOM 278 C ARG A 21 -10.520 17.237 -6.643 1.00 0.00 C ATOM 279 O ARG A 21 -9.832 18.113 -7.165 1.00 0.00 O ATOM 280 CB ARG A 21 -12.151 17.716 -4.809 1.00 0.00 C ATOM 281 CG ARG A 21 -13.518 18.257 -4.419 1.00 0.00 C ATOM 282 CD ARG A 21 -13.639 19.741 -4.728 1.00 0.00 C ATOM 283 NE ARG A 21 -14.849 20.322 -4.154 1.00 0.00 N ATOM 284 CZ ARG A 21 -14.933 20.757 -2.902 1.00 0.00 C ATOM 285 NH1 ARG A 21 -13.883 20.676 -2.097 1.00 0.00 N ATOM 286 NH2 ARG A 21 -16.069 21.274 -2.452 1.00 0.00 N ATOM 0 H ARG A 21 -13.110 15.745 -5.999 1.00 0.00 H new ATOM 0 HA ARG A 21 -12.315 18.382 -6.845 1.00 0.00 H new ATOM 0 HB2 ARG A 21 -11.980 16.774 -4.287 1.00 0.00 H new ATOM 0 HB3 ARG A 21 -11.384 18.412 -4.470 1.00 0.00 H new ATOM 0 HG2 ARG A 21 -14.294 17.709 -4.954 1.00 0.00 H new ATOM 0 HG3 ARG A 21 -13.686 18.091 -3.355 1.00 0.00 H new ATOM 0 HD2 ARG A 21 -12.766 20.265 -4.339 1.00 0.00 H new ATOM 0 HD3 ARG A 21 -13.644 19.887 -5.808 1.00 0.00 H new ATOM 0 HE ARG A 21 -15.675 20.398 -4.747 1.00 0.00 H new ATOM 0 HH11 ARG A 21 -13.008 20.279 -2.439 1.00 0.00 H new ATOM 0 HH12 ARG A 21 -13.950 21.011 -1.136 1.00 0.00 H new ATOM 0 HH21 ARG A 21 -16.880 21.338 -3.068 1.00 0.00 H new ATOM 0 HH22 ARG A 21 -16.132 21.608 -1.490 1.00 0.00 H new ATOM 300 N ASN A 22 -10.047 16.034 -6.335 1.00 0.00 N ATOM 301 CA ASN A 22 -8.661 15.667 -6.598 1.00 0.00 C ATOM 302 C ASN A 22 -8.583 14.352 -7.369 1.00 0.00 C ATOM 303 O ASN A 22 -9.420 13.467 -7.195 1.00 0.00 O ATOM 304 CB ASN A 22 -7.885 15.548 -5.285 1.00 0.00 C ATOM 305 CG ASN A 22 -8.728 14.969 -4.165 1.00 0.00 C ATOM 306 OD1 ASN A 22 -9.049 13.781 -4.165 1.00 0.00 O ATOM 307 ND2 ASN A 22 -9.092 15.810 -3.204 1.00 0.00 N ATOM 0 H ASN A 22 -10.604 15.297 -5.903 1.00 0.00 H new ATOM 0 HA ASN A 22 -8.213 16.452 -7.207 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -7.009 14.918 -5.440 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -7.521 16.532 -4.991 1.00 0.00 H new ATOM 0 HD21 ASN A 22 -9.661 15.479 -2.425 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -8.803 16.787 -3.245 1.00 0.00 H new ATOM 314 N LYS A 23 -7.571 14.232 -8.222 1.00 0.00 N ATOM 315 CA LYS A 23 -7.380 13.026 -9.019 1.00 0.00 C ATOM 316 C LYS A 23 -6.002 12.421 -8.770 1.00 0.00 C ATOM 317 O LYS A 23 -5.847 11.202 -8.730 1.00 0.00 O ATOM 318 CB LYS A 23 -7.550 13.341 -10.507 1.00 0.00 C ATOM 319 CG LYS A 23 -8.986 13.234 -10.991 1.00 0.00 C ATOM 320 CD LYS A 23 -9.286 11.852 -11.546 1.00 0.00 C ATOM 321 CE LYS A 23 -9.838 10.928 -10.472 1.00 0.00 C ATOM 322 NZ LYS A 23 -11.135 11.418 -9.930 1.00 0.00 N ATOM 0 H LYS A 23 -6.870 14.956 -8.379 1.00 0.00 H new ATOM 0 HA LYS A 23 -8.135 12.299 -8.719 1.00 0.00 H new ATOM 0 HB2 LYS A 23 -7.184 14.349 -10.700 1.00 0.00 H new ATOM 0 HB3 LYS A 23 -6.928 12.660 -11.087 1.00 0.00 H new ATOM 0 HG2 LYS A 23 -9.666 13.452 -10.167 1.00 0.00 H new ATOM 0 HG3 LYS A 23 -9.168 13.984 -11.761 1.00 0.00 H new ATOM 0 HD2 LYS A 23 -10.005 11.934 -12.361 1.00 0.00 H new ATOM 0 HD3 LYS A 23 -8.376 11.422 -11.965 1.00 0.00 H new ATOM 0 HE2 LYS A 23 -9.972 9.929 -10.887 1.00 0.00 H new ATOM 0 HE3 LYS A 23 -9.115 10.842 -9.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 23 -10.977 11.871 -9.007 1.00 0.00 H new ATOM 0 HZ2 LYS A 23 -11.548 12.109 -10.589 1.00 0.00 H new ATOM 0 HZ3 LYS A 23 -11.788 10.617 -9.814 1.00 0.00 H new ATOM 336 N GLY A 24 -5.004 13.284 -8.603 1.00 0.00 N ATOM 337 CA GLY A 24 -3.652 12.816 -8.359 1.00 0.00 C ATOM 338 C GLY A 24 -2.777 12.903 -9.594 1.00 0.00 C ATOM 339 O GLY A 24 -2.978 13.749 -10.465 1.00 0.00 O ATOM 0 H GLY A 24 -5.108 14.298 -8.632 1.00 0.00 H new ATOM 0 HA2 GLY A 24 -3.205 13.406 -7.559 1.00 0.00 H new ATOM 0 HA3 GLY A 24 -3.685 11.783 -8.013 1.00 0.00 H new ATOM 343 N PRO A 25 -1.777 12.013 -9.679 1.00 0.00 N ATOM 344 CA PRO A 25 -1.527 11.002 -8.648 1.00 0.00 C ATOM 345 C PRO A 25 -1.004 11.612 -7.352 1.00 0.00 C ATOM 346 O PRO A 25 -0.613 12.779 -7.317 1.00 0.00 O ATOM 347 CB PRO A 25 -0.464 10.103 -9.283 1.00 0.00 C ATOM 348 CG PRO A 25 0.231 10.976 -10.270 1.00 0.00 C ATOM 349 CD PRO A 25 -0.813 11.926 -10.789 1.00 0.00 C ATOM 0 HA PRO A 25 -2.438 10.474 -8.366 1.00 0.00 H new ATOM 0 HB2 PRO A 25 0.230 9.721 -8.534 1.00 0.00 H new ATOM 0 HB3 PRO A 25 -0.916 9.238 -9.769 1.00 0.00 H new ATOM 0 HG2 PRO A 25 1.053 11.517 -9.802 1.00 0.00 H new ATOM 0 HG3 PRO A 25 0.659 10.386 -11.080 1.00 0.00 H new ATOM 0 HD2 PRO A 25 -0.387 12.900 -11.028 1.00 0.00 H new ATOM 0 HD3 PRO A 25 -1.281 11.551 -11.699 1.00 0.00 H new ATOM 357 N VAL A 26 -0.999 10.816 -6.288 1.00 0.00 N ATOM 358 CA VAL A 26 -0.522 11.277 -4.990 1.00 0.00 C ATOM 359 C VAL A 26 0.778 10.581 -4.602 1.00 0.00 C ATOM 360 O VAL A 26 0.853 9.353 -4.582 1.00 0.00 O ATOM 361 CB VAL A 26 -1.570 11.034 -3.888 1.00 0.00 C ATOM 362 CG1 VAL A 26 -2.827 11.848 -4.156 1.00 0.00 C ATOM 363 CG2 VAL A 26 -1.898 9.552 -3.782 1.00 0.00 C ATOM 0 H VAL A 26 -1.320 9.848 -6.299 1.00 0.00 H new ATOM 0 HA VAL A 26 -0.343 12.348 -5.082 1.00 0.00 H new ATOM 0 HB VAL A 26 -1.151 11.360 -2.936 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -3.556 11.663 -3.367 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -2.576 12.909 -4.177 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -3.251 11.557 -5.117 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -2.640 9.399 -2.998 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -2.296 9.199 -4.733 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -0.993 8.996 -3.538 1.00 0.00 H new ATOM 373 N SER A 27 1.799 11.374 -4.295 1.00 0.00 N ATOM 374 CA SER A 27 3.098 10.834 -3.911 1.00 0.00 C ATOM 375 C SER A 27 3.221 10.743 -2.393 1.00 0.00 C ATOM 376 O SER A 27 3.251 11.760 -1.700 1.00 0.00 O ATOM 377 CB SER A 27 4.223 11.705 -4.474 1.00 0.00 C ATOM 378 OG SER A 27 5.473 11.351 -3.910 1.00 0.00 O ATOM 0 H SER A 27 1.752 12.393 -4.305 1.00 0.00 H new ATOM 0 HA SER A 27 3.184 9.830 -4.326 1.00 0.00 H new ATOM 0 HB2 SER A 27 4.265 11.594 -5.558 1.00 0.00 H new ATOM 0 HB3 SER A 27 4.012 12.754 -4.269 1.00 0.00 H new ATOM 0 HG SER A 27 6.175 11.921 -4.287 1.00 0.00 H new ATOM 384 N ILE A 28 3.292 9.518 -1.884 1.00 0.00 N ATOM 385 CA ILE A 28 3.413 9.293 -0.449 1.00 0.00 C ATOM 386 C ILE A 28 4.849 8.950 -0.066 1.00 0.00 C ATOM 387 O ILE A 28 5.686 8.680 -0.927 1.00 0.00 O ATOM 388 CB ILE A 28 2.482 8.161 0.024 1.00 0.00 C ATOM 389 CG1 ILE A 28 2.866 6.841 -0.648 1.00 0.00 C ATOM 390 CG2 ILE A 28 1.031 8.510 -0.272 1.00 0.00 C ATOM 391 CD1 ILE A 28 2.547 5.622 0.188 1.00 0.00 C ATOM 0 H ILE A 28 3.268 8.666 -2.444 1.00 0.00 H new ATOM 0 HA ILE A 28 3.120 10.221 0.042 1.00 0.00 H new ATOM 0 HB ILE A 28 2.595 8.044 1.102 1.00 0.00 H new ATOM 0 HG12 ILE A 28 2.345 6.764 -1.602 1.00 0.00 H new ATOM 0 HG13 ILE A 28 3.934 6.852 -0.868 1.00 0.00 H new ATOM 0 HG21 ILE A 28 0.385 7.700 0.068 1.00 0.00 H new ATOM 0 HG22 ILE A 28 0.764 9.430 0.249 1.00 0.00 H new ATOM 0 HG23 ILE A 28 0.902 8.650 -1.345 1.00 0.00 H new ATOM 0 HD11 ILE A 28 2.846 4.723 -0.351 1.00 0.00 H new ATOM 0 HD12 ILE A 28 3.089 5.676 1.132 1.00 0.00 H new ATOM 0 HD13 ILE A 28 1.476 5.587 0.386 1.00 0.00 H new ATOM 403 N LYS A 29 5.126 8.959 1.234 1.00 0.00 N ATOM 404 CA LYS A 29 6.459 8.645 1.734 1.00 0.00 C ATOM 405 C LYS A 29 6.385 7.680 2.912 1.00 0.00 C ATOM 406 O LYS A 29 5.791 7.990 3.945 1.00 0.00 O ATOM 407 CB LYS A 29 7.183 9.926 2.155 1.00 0.00 C ATOM 408 CG LYS A 29 8.693 9.845 2.016 1.00 0.00 C ATOM 409 CD LYS A 29 9.393 10.809 2.960 1.00 0.00 C ATOM 410 CE LYS A 29 10.796 10.333 3.304 1.00 0.00 C ATOM 411 NZ LYS A 29 11.626 11.426 3.881 1.00 0.00 N ATOM 0 H LYS A 29 4.445 9.180 1.960 1.00 0.00 H new ATOM 0 HA LYS A 29 7.018 8.166 0.930 1.00 0.00 H new ATOM 0 HB2 LYS A 29 6.815 10.756 1.552 1.00 0.00 H new ATOM 0 HB3 LYS A 29 6.934 10.150 3.192 1.00 0.00 H new ATOM 0 HG2 LYS A 29 9.024 8.827 2.223 1.00 0.00 H new ATOM 0 HG3 LYS A 29 8.977 10.070 0.988 1.00 0.00 H new ATOM 0 HD2 LYS A 29 9.445 11.796 2.501 1.00 0.00 H new ATOM 0 HD3 LYS A 29 8.809 10.913 3.874 1.00 0.00 H new ATOM 0 HE2 LYS A 29 10.736 9.509 4.015 1.00 0.00 H new ATOM 0 HE3 LYS A 29 11.278 9.946 2.407 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 12.575 11.062 4.102 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 11.705 12.202 3.193 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 11.179 11.779 4.751 1.00 0.00 H new ATOM 425 N VAL A 30 6.993 6.509 2.751 1.00 0.00 N ATOM 426 CA VAL A 30 6.998 5.499 3.803 1.00 0.00 C ATOM 427 C VAL A 30 8.212 5.657 4.711 1.00 0.00 C ATOM 428 O VAL A 30 9.338 5.355 4.316 1.00 0.00 O ATOM 429 CB VAL A 30 6.993 4.076 3.215 1.00 0.00 C ATOM 430 CG1 VAL A 30 7.072 3.038 4.325 1.00 0.00 C ATOM 431 CG2 VAL A 30 5.755 3.858 2.358 1.00 0.00 C ATOM 0 H VAL A 30 7.488 6.236 1.902 1.00 0.00 H new ATOM 0 HA VAL A 30 6.089 5.646 4.387 1.00 0.00 H new ATOM 0 HB VAL A 30 7.872 3.962 2.580 1.00 0.00 H new ATOM 0 HG11 VAL A 30 7.067 2.039 3.890 1.00 0.00 H new ATOM 0 HG12 VAL A 30 7.991 3.182 4.893 1.00 0.00 H new ATOM 0 HG13 VAL A 30 6.214 3.149 4.988 1.00 0.00 H new ATOM 0 HG21 VAL A 30 5.768 2.847 1.950 1.00 0.00 H new ATOM 0 HG22 VAL A 30 4.862 3.992 2.968 1.00 0.00 H new ATOM 0 HG23 VAL A 30 5.747 4.579 1.540 1.00 0.00 H new ATOM 441 N GLN A 31 7.975 6.132 5.930 1.00 0.00 N ATOM 442 CA GLN A 31 9.051 6.331 6.894 1.00 0.00 C ATOM 443 C GLN A 31 9.499 5.001 7.491 1.00 0.00 C ATOM 444 O GLN A 31 8.959 4.548 8.501 1.00 0.00 O ATOM 445 CB GLN A 31 8.597 7.276 8.008 1.00 0.00 C ATOM 446 CG GLN A 31 9.740 8.028 8.671 1.00 0.00 C ATOM 447 CD GLN A 31 10.865 7.112 9.108 1.00 0.00 C ATOM 448 OE1 GLN A 31 10.628 6.039 9.663 1.00 0.00 O ATOM 449 NE2 GLN A 31 12.101 7.531 8.859 1.00 0.00 N ATOM 0 H GLN A 31 7.049 6.386 6.273 1.00 0.00 H new ATOM 0 HA GLN A 31 9.897 6.777 6.371 1.00 0.00 H new ATOM 0 HB2 GLN A 31 7.890 7.996 7.597 1.00 0.00 H new ATOM 0 HB3 GLN A 31 8.063 6.702 8.765 1.00 0.00 H new ATOM 0 HG2 GLN A 31 10.131 8.772 7.977 1.00 0.00 H new ATOM 0 HG3 GLN A 31 9.360 8.569 9.537 1.00 0.00 H new ATOM 0 HE21 GLN A 31 12.252 8.428 8.397 1.00 0.00 H new ATOM 0 HE22 GLN A 31 12.899 6.956 9.130 1.00 0.00 H new ATOM 458 N VAL A 32 10.490 4.379 6.861 1.00 0.00 N ATOM 459 CA VAL A 32 11.012 3.101 7.330 1.00 0.00 C ATOM 460 C VAL A 32 11.887 3.285 8.565 1.00 0.00 C ATOM 461 O VAL A 32 12.976 3.857 8.505 1.00 0.00 O ATOM 462 CB VAL A 32 11.831 2.393 6.234 1.00 0.00 C ATOM 463 CG1 VAL A 32 12.389 1.076 6.751 1.00 0.00 C ATOM 464 CG2 VAL A 32 10.980 2.171 4.993 1.00 0.00 C ATOM 0 H VAL A 32 10.948 4.740 6.024 1.00 0.00 H new ATOM 0 HA VAL A 32 10.152 2.482 7.587 1.00 0.00 H new ATOM 0 HB VAL A 32 12.670 3.033 5.961 1.00 0.00 H new ATOM 0 HG11 VAL A 32 12.964 0.590 5.963 1.00 0.00 H new ATOM 0 HG12 VAL A 32 13.035 1.266 7.608 1.00 0.00 H new ATOM 0 HG13 VAL A 32 11.568 0.426 7.053 1.00 0.00 H new ATOM 0 HG21 VAL A 32 11.574 1.670 4.229 1.00 0.00 H new ATOM 0 HG22 VAL A 32 10.120 1.552 5.248 1.00 0.00 H new ATOM 0 HG23 VAL A 32 10.635 3.132 4.612 1.00 0.00 H new ATOM 474 N PRO A 33 11.402 2.788 9.712 1.00 0.00 N ATOM 475 CA PRO A 33 12.125 2.884 10.984 1.00 0.00 C ATOM 476 C PRO A 33 13.368 2.001 11.013 1.00 0.00 C ATOM 477 O PRO A 33 13.413 0.956 10.366 1.00 0.00 O ATOM 478 CB PRO A 33 11.100 2.398 12.012 1.00 0.00 C ATOM 479 CG PRO A 33 10.182 1.513 11.242 1.00 0.00 C ATOM 480 CD PRO A 33 10.112 2.094 9.857 1.00 0.00 C ATOM 0 HA PRO A 33 12.490 3.894 11.170 1.00 0.00 H new ATOM 0 HB2 PRO A 33 11.582 1.856 12.826 1.00 0.00 H new ATOM 0 HB3 PRO A 33 10.562 3.233 12.460 1.00 0.00 H new ATOM 0 HG2 PRO A 33 10.556 0.490 11.217 1.00 0.00 H new ATOM 0 HG3 PRO A 33 9.194 1.480 11.702 1.00 0.00 H new ATOM 0 HD2 PRO A 33 9.986 1.318 9.102 1.00 0.00 H new ATOM 0 HD3 PRO A 33 9.272 2.781 9.751 1.00 0.00 H new ATOM 488 N ASN A 34 14.375 2.428 11.768 1.00 0.00 N ATOM 489 CA ASN A 34 15.619 1.676 11.880 1.00 0.00 C ATOM 490 C ASN A 34 15.545 0.672 13.026 1.00 0.00 C ATOM 491 O ASN A 34 15.846 1.001 14.174 1.00 0.00 O ATOM 492 CB ASN A 34 16.797 2.627 12.096 1.00 0.00 C ATOM 493 CG ASN A 34 18.126 1.899 12.154 1.00 0.00 C ATOM 494 OD1 ASN A 34 18.603 1.374 11.147 1.00 0.00 O ATOM 495 ND2 ASN A 34 18.730 1.863 13.336 1.00 0.00 N ATOM 0 H ASN A 34 14.354 3.291 12.311 1.00 0.00 H new ATOM 0 HA ASN A 34 15.769 1.129 10.949 1.00 0.00 H new ATOM 0 HB2 ASN A 34 16.822 3.359 11.289 1.00 0.00 H new ATOM 0 HB3 ASN A 34 16.648 3.180 13.023 1.00 0.00 H new ATOM 0 HD21 ASN A 34 19.626 1.386 13.436 1.00 0.00 H new ATOM 0 HD22 ASN A 34 18.298 2.312 14.143 1.00 0.00 H new ATOM 502 N MET A 35 15.144 -0.555 12.707 1.00 0.00 N ATOM 503 CA MET A 35 15.033 -1.607 13.710 1.00 0.00 C ATOM 504 C MET A 35 16.392 -2.246 13.980 1.00 0.00 C ATOM 505 O MET A 35 16.821 -3.142 13.253 1.00 0.00 O ATOM 506 CB MET A 35 14.037 -2.674 13.252 1.00 0.00 C ATOM 507 CG MET A 35 12.594 -2.350 13.606 1.00 0.00 C ATOM 508 SD MET A 35 12.268 -2.475 15.374 1.00 0.00 S ATOM 509 CE MET A 35 10.782 -1.485 15.515 1.00 0.00 C ATOM 0 H MET A 35 14.891 -0.844 11.762 1.00 0.00 H new ATOM 0 HA MET A 35 14.673 -1.157 14.635 1.00 0.00 H new ATOM 0 HB2 MET A 35 14.119 -2.796 12.172 1.00 0.00 H new ATOM 0 HB3 MET A 35 14.307 -3.629 13.702 1.00 0.00 H new ATOM 0 HG2 MET A 35 12.359 -1.341 13.268 1.00 0.00 H new ATOM 0 HG3 MET A 35 11.931 -3.029 13.069 1.00 0.00 H new ATOM 0 HE1 MET A 35 10.298 -1.689 16.470 1.00 0.00 H new ATOM 0 HE2 MET A 35 11.042 -0.428 15.459 1.00 0.00 H new ATOM 0 HE3 MET A 35 10.100 -1.734 14.702 1.00 0.00 H new ATOM 519 N GLN A 36 17.062 -1.780 15.029 1.00 0.00 N ATOM 520 CA GLN A 36 18.372 -2.307 15.393 1.00 0.00 C ATOM 521 C GLN A 36 18.314 -3.817 15.601 1.00 0.00 C ATOM 522 O GLN A 36 19.291 -4.525 15.359 1.00 0.00 O ATOM 523 CB GLN A 36 18.884 -1.625 16.663 1.00 0.00 C ATOM 524 CG GLN A 36 18.376 -2.264 17.944 1.00 0.00 C ATOM 525 CD GLN A 36 18.761 -1.477 19.182 1.00 0.00 C ATOM 526 OE1 GLN A 36 19.677 -1.857 19.913 1.00 0.00 O ATOM 527 NE2 GLN A 36 18.063 -0.374 19.423 1.00 0.00 N ATOM 0 H GLN A 36 16.720 -1.039 15.641 1.00 0.00 H new ATOM 0 HA GLN A 36 19.060 -2.098 14.574 1.00 0.00 H new ATOM 0 HB2 GLN A 36 19.974 -1.647 16.663 1.00 0.00 H new ATOM 0 HB3 GLN A 36 18.587 -0.576 16.647 1.00 0.00 H new ATOM 0 HG2 GLN A 36 17.291 -2.351 17.896 1.00 0.00 H new ATOM 0 HG3 GLN A 36 18.774 -3.276 18.023 1.00 0.00 H new ATOM 0 HE21 GLN A 36 17.312 -0.097 18.790 1.00 0.00 H new ATOM 0 HE22 GLN A 36 18.277 0.197 20.241 1.00 0.00 H new ATOM 536 N ASP A 37 17.162 -4.302 16.051 1.00 0.00 N ATOM 537 CA ASP A 37 16.976 -5.729 16.291 1.00 0.00 C ATOM 538 C ASP A 37 17.650 -6.556 15.201 1.00 0.00 C ATOM 539 O ASP A 37 18.123 -7.665 15.451 1.00 0.00 O ATOM 540 CB ASP A 37 15.485 -6.066 16.357 1.00 0.00 C ATOM 541 CG ASP A 37 14.815 -5.493 17.590 1.00 0.00 C ATOM 542 OD1 ASP A 37 14.824 -6.170 18.639 1.00 0.00 O ATOM 543 OD2 ASP A 37 14.283 -4.366 17.506 1.00 0.00 O ATOM 0 H ASP A 37 16.344 -3.729 16.257 1.00 0.00 H new ATOM 0 HA ASP A 37 17.439 -5.975 17.247 1.00 0.00 H new ATOM 0 HB2 ASP A 37 14.989 -5.681 15.466 1.00 0.00 H new ATOM 0 HB3 ASP A 37 15.360 -7.149 16.349 1.00 0.00 H new ATOM 548 N LYS A 38 17.689 -6.010 13.990 1.00 0.00 N ATOM 549 CA LYS A 38 18.305 -6.696 12.861 1.00 0.00 C ATOM 550 C LYS A 38 17.481 -7.911 12.447 1.00 0.00 C ATOM 551 O LYS A 38 18.022 -8.992 12.213 1.00 0.00 O ATOM 552 CB LYS A 38 19.729 -7.130 13.216 1.00 0.00 C ATOM 553 CG LYS A 38 20.613 -7.369 12.004 1.00 0.00 C ATOM 554 CD LYS A 38 21.336 -6.100 11.584 1.00 0.00 C ATOM 555 CE LYS A 38 20.525 -5.305 10.573 1.00 0.00 C ATOM 556 NZ LYS A 38 21.364 -4.315 9.843 1.00 0.00 N ATOM 0 H LYS A 38 17.301 -5.094 13.766 1.00 0.00 H new ATOM 0 HA LYS A 38 18.342 -6.001 12.022 1.00 0.00 H new ATOM 0 HB2 LYS A 38 20.187 -6.366 13.844 1.00 0.00 H new ATOM 0 HB3 LYS A 38 19.684 -8.044 13.808 1.00 0.00 H new ATOM 0 HG2 LYS A 38 21.342 -8.146 12.232 1.00 0.00 H new ATOM 0 HG3 LYS A 38 20.006 -7.734 11.176 1.00 0.00 H new ATOM 0 HD2 LYS A 38 21.530 -5.483 12.462 1.00 0.00 H new ATOM 0 HD3 LYS A 38 22.304 -6.357 11.154 1.00 0.00 H new ATOM 0 HE2 LYS A 38 20.065 -5.988 9.859 1.00 0.00 H new ATOM 0 HE3 LYS A 38 19.714 -4.786 11.085 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 20.774 -3.794 9.163 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 21.783 -3.647 10.522 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 22.122 -4.812 9.333 1.00 0.00 H new ATOM 570 N THR A 39 16.167 -7.726 12.356 1.00 0.00 N ATOM 571 CA THR A 39 15.268 -8.806 11.969 1.00 0.00 C ATOM 572 C THR A 39 15.371 -9.099 10.477 1.00 0.00 C ATOM 573 O THR A 39 16.214 -8.534 9.781 1.00 0.00 O ATOM 574 CB THR A 39 13.805 -8.470 12.314 1.00 0.00 C ATOM 575 OG1 THR A 39 12.959 -9.579 11.994 1.00 0.00 O ATOM 576 CG2 THR A 39 13.340 -7.235 11.557 1.00 0.00 C ATOM 0 H THR A 39 15.702 -6.838 12.545 1.00 0.00 H new ATOM 0 HA THR A 39 15.573 -9.688 12.532 1.00 0.00 H new ATOM 0 HB THR A 39 13.745 -8.265 13.383 1.00 0.00 H new ATOM 0 HG1 THR A 39 12.031 -9.358 12.218 1.00 0.00 H new ATOM 0 HG21 THR A 39 12.304 -7.018 11.817 1.00 0.00 H new ATOM 0 HG22 THR A 39 13.968 -6.385 11.826 1.00 0.00 H new ATOM 0 HG23 THR A 39 13.415 -7.416 10.485 1.00 0.00 H new ATOM 584 N GLU A 40 14.508 -9.986 9.992 1.00 0.00 N ATOM 585 CA GLU A 40 14.503 -10.354 8.581 1.00 0.00 C ATOM 586 C GLU A 40 13.724 -9.335 7.755 1.00 0.00 C ATOM 587 O GLU A 40 13.073 -9.685 6.770 1.00 0.00 O ATOM 588 CB GLU A 40 13.898 -11.747 8.396 1.00 0.00 C ATOM 589 CG GLU A 40 12.425 -11.823 8.761 1.00 0.00 C ATOM 590 CD GLU A 40 12.197 -11.883 10.259 1.00 0.00 C ATOM 591 OE1 GLU A 40 13.057 -12.445 10.968 1.00 0.00 O ATOM 592 OE2 GLU A 40 11.157 -11.368 10.721 1.00 0.00 O ATOM 0 H GLU A 40 13.804 -10.463 10.555 1.00 0.00 H new ATOM 0 HA GLU A 40 15.535 -10.365 8.232 1.00 0.00 H new ATOM 0 HB2 GLU A 40 14.023 -12.053 7.357 1.00 0.00 H new ATOM 0 HB3 GLU A 40 14.453 -12.459 9.007 1.00 0.00 H new ATOM 0 HG2 GLU A 40 11.908 -10.954 8.353 1.00 0.00 H new ATOM 0 HG3 GLU A 40 11.984 -12.704 8.295 1.00 0.00 H new ATOM 599 N TRP A 41 13.794 -8.073 8.164 1.00 0.00 N ATOM 600 CA TRP A 41 13.094 -7.003 7.463 1.00 0.00 C ATOM 601 C TRP A 41 14.054 -5.877 7.092 1.00 0.00 C ATOM 602 O TRP A 41 14.831 -5.411 7.924 1.00 0.00 O ATOM 603 CB TRP A 41 11.958 -6.456 8.329 1.00 0.00 C ATOM 604 CG TRP A 41 10.942 -7.493 8.700 1.00 0.00 C ATOM 605 CD1 TRP A 41 10.611 -8.609 7.985 1.00 0.00 C ATOM 606 CD2 TRP A 41 10.124 -7.510 9.874 1.00 0.00 C ATOM 607 NE1 TRP A 41 9.636 -9.318 8.644 1.00 0.00 N ATOM 608 CE2 TRP A 41 9.320 -8.665 9.806 1.00 0.00 C ATOM 609 CE3 TRP A 41 9.993 -6.663 10.978 1.00 0.00 C ATOM 610 CZ2 TRP A 41 8.400 -8.991 10.799 1.00 0.00 C ATOM 611 CZ3 TRP A 41 9.079 -6.987 11.962 1.00 0.00 C ATOM 612 CH2 TRP A 41 8.293 -8.144 11.868 1.00 0.00 C ATOM 0 H TRP A 41 14.328 -7.766 8.977 1.00 0.00 H new ATOM 0 HA TRP A 41 12.675 -7.416 6.545 1.00 0.00 H new ATOM 0 HB2 TRP A 41 12.378 -6.028 9.239 1.00 0.00 H new ATOM 0 HB3 TRP A 41 11.461 -5.646 7.795 1.00 0.00 H new ATOM 0 HD1 TRP A 41 11.051 -8.892 7.040 1.00 0.00 H new ATOM 0 HE1 TRP A 41 9.216 -10.189 8.321 1.00 0.00 H new ATOM 0 HE3 TRP A 41 10.596 -5.771 11.060 1.00 0.00 H new ATOM 0 HZ2 TRP A 41 7.792 -9.881 10.728 1.00 0.00 H new ATOM 0 HZ3 TRP A 41 8.968 -6.338 12.818 1.00 0.00 H new ATOM 0 HH2 TRP A 41 7.589 -8.371 12.655 1.00 0.00 H new ATOM 623 N LYS A 42 13.994 -5.445 5.837 1.00 0.00 N ATOM 624 CA LYS A 42 14.857 -4.373 5.355 1.00 0.00 C ATOM 625 C LYS A 42 14.537 -3.059 6.059 1.00 0.00 C ATOM 626 O LYS A 42 13.942 -2.155 5.470 1.00 0.00 O ATOM 627 CB LYS A 42 14.698 -4.204 3.842 1.00 0.00 C ATOM 628 CG LYS A 42 15.279 -5.354 3.038 1.00 0.00 C ATOM 629 CD LYS A 42 15.500 -4.964 1.586 1.00 0.00 C ATOM 630 CE LYS A 42 16.338 -6.000 0.851 1.00 0.00 C ATOM 631 NZ LYS A 42 15.601 -7.281 0.669 1.00 0.00 N ATOM 0 H LYS A 42 13.357 -5.821 5.135 1.00 0.00 H new ATOM 0 HA LYS A 42 15.889 -4.643 5.579 1.00 0.00 H new ATOM 0 HB2 LYS A 42 13.639 -4.105 3.605 1.00 0.00 H new ATOM 0 HB3 LYS A 42 15.182 -3.276 3.536 1.00 0.00 H new ATOM 0 HG2 LYS A 42 16.225 -5.666 3.480 1.00 0.00 H new ATOM 0 HG3 LYS A 42 14.606 -6.210 3.087 1.00 0.00 H new ATOM 0 HD2 LYS A 42 14.537 -4.853 1.087 1.00 0.00 H new ATOM 0 HD3 LYS A 42 15.996 -3.994 1.540 1.00 0.00 H new ATOM 0 HE2 LYS A 42 16.629 -5.607 -0.123 1.00 0.00 H new ATOM 0 HE3 LYS A 42 17.257 -6.185 1.408 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 16.205 -7.961 0.164 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 15.345 -7.669 1.599 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 14.737 -7.109 0.116 1.00 0.00 H new ATOM 645 N LEU A 43 14.936 -2.957 7.322 1.00 0.00 N ATOM 646 CA LEU A 43 14.693 -1.752 8.107 1.00 0.00 C ATOM 647 C LEU A 43 16.006 -1.134 8.577 1.00 0.00 C ATOM 648 O LEU A 43 16.591 -1.573 9.566 1.00 0.00 O ATOM 649 CB LEU A 43 13.808 -2.075 9.313 1.00 0.00 C ATOM 650 CG LEU A 43 12.484 -2.775 9.006 1.00 0.00 C ATOM 651 CD1 LEU A 43 11.857 -3.315 10.281 1.00 0.00 C ATOM 652 CD2 LEU A 43 11.528 -1.823 8.301 1.00 0.00 C ATOM 0 H LEU A 43 15.430 -3.695 7.825 1.00 0.00 H new ATOM 0 HA LEU A 43 14.181 -1.031 7.470 1.00 0.00 H new ATOM 0 HB2 LEU A 43 14.377 -2.703 9.998 1.00 0.00 H new ATOM 0 HB3 LEU A 43 13.591 -1.145 9.838 1.00 0.00 H new ATOM 0 HG LEU A 43 12.685 -3.615 8.341 1.00 0.00 H new ATOM 0 HD11 LEU A 43 10.916 -3.810 10.042 1.00 0.00 H new ATOM 0 HD12 LEU A 43 12.535 -4.031 10.745 1.00 0.00 H new ATOM 0 HD13 LEU A 43 11.670 -2.492 10.971 1.00 0.00 H new ATOM 0 HD21 LEU A 43 10.591 -2.338 8.090 1.00 0.00 H new ATOM 0 HD22 LEU A 43 11.333 -0.963 8.941 1.00 0.00 H new ATOM 0 HD23 LEU A 43 11.975 -1.485 7.366 1.00 0.00 H new ATOM 664 N ASN A 44 16.462 -0.111 7.861 1.00 0.00 N ATOM 665 CA ASN A 44 17.705 0.569 8.205 1.00 0.00 C ATOM 666 C ASN A 44 17.534 2.083 8.137 1.00 0.00 C ATOM 667 O ASN A 44 18.334 2.782 7.517 1.00 0.00 O ATOM 668 CB ASN A 44 18.829 0.129 7.265 1.00 0.00 C ATOM 669 CG ASN A 44 19.109 -1.359 7.355 1.00 0.00 C ATOM 670 OD1 ASN A 44 18.784 -2.004 8.353 1.00 0.00 O ATOM 671 ND2 ASN A 44 19.715 -1.911 6.311 1.00 0.00 N ATOM 0 H ASN A 44 15.989 0.265 7.039 1.00 0.00 H new ATOM 0 HA ASN A 44 17.968 0.296 9.227 1.00 0.00 H new ATOM 0 HB2 ASN A 44 18.562 0.384 6.239 1.00 0.00 H new ATOM 0 HB3 ASN A 44 19.737 0.682 7.505 1.00 0.00 H new ATOM 0 HD21 ASN A 44 19.930 -2.908 6.314 1.00 0.00 H new ATOM 0 HD22 ASN A 44 19.966 -1.338 5.505 1.00 0.00 H new ATOM 678 N GLY A 45 16.483 2.584 8.780 1.00 0.00 N ATOM 679 CA GLY A 45 16.226 4.012 8.781 1.00 0.00 C ATOM 680 C GLY A 45 16.307 4.617 7.393 1.00 0.00 C ATOM 681 O GLY A 45 17.366 5.085 6.975 1.00 0.00 O ATOM 0 H GLY A 45 15.806 2.026 9.300 1.00 0.00 H new ATOM 0 HA2 GLY A 45 15.237 4.200 9.199 1.00 0.00 H new ATOM 0 HA3 GLY A 45 16.946 4.507 9.432 1.00 0.00 H new ATOM 685 N GLN A 46 15.187 4.605 6.678 1.00 0.00 N ATOM 686 CA GLN A 46 15.138 5.155 5.328 1.00 0.00 C ATOM 687 C GLN A 46 13.707 5.507 4.936 1.00 0.00 C ATOM 688 O GLN A 46 12.764 5.235 5.678 1.00 0.00 O ATOM 689 CB GLN A 46 15.723 4.157 4.327 1.00 0.00 C ATOM 690 CG GLN A 46 14.904 2.884 4.188 1.00 0.00 C ATOM 691 CD GLN A 46 15.519 1.899 3.213 1.00 0.00 C ATOM 692 OE1 GLN A 46 16.336 2.269 2.370 1.00 0.00 O ATOM 693 NE2 GLN A 46 15.128 0.634 3.323 1.00 0.00 N ATOM 0 H GLN A 46 14.302 4.221 7.010 1.00 0.00 H new ATOM 0 HA GLN A 46 15.735 6.067 5.312 1.00 0.00 H new ATOM 0 HB2 GLN A 46 15.801 4.637 3.352 1.00 0.00 H new ATOM 0 HB3 GLN A 46 16.735 3.896 4.636 1.00 0.00 H new ATOM 0 HG2 GLN A 46 14.807 2.410 5.165 1.00 0.00 H new ATOM 0 HG3 GLN A 46 13.898 3.138 3.856 1.00 0.00 H new ATOM 0 HE21 GLN A 46 14.448 0.371 4.036 1.00 0.00 H new ATOM 0 HE22 GLN A 46 15.508 -0.074 2.694 1.00 0.00 H new ATOM 702 N GLY A 47 13.552 6.114 3.763 1.00 0.00 N ATOM 703 CA GLY A 47 12.232 6.493 3.293 1.00 0.00 C ATOM 704 C GLY A 47 11.946 5.984 1.894 1.00 0.00 C ATOM 705 O GLY A 47 12.750 6.172 0.980 1.00 0.00 O ATOM 0 H GLY A 47 14.316 6.350 3.130 1.00 0.00 H new ATOM 0 HA2 GLY A 47 11.480 6.103 3.979 1.00 0.00 H new ATOM 0 HA3 GLY A 47 12.143 7.579 3.306 1.00 0.00 H new ATOM 709 N LEU A 48 10.800 5.334 1.726 1.00 0.00 N ATOM 710 CA LEU A 48 10.410 4.794 0.428 1.00 0.00 C ATOM 711 C LEU A 48 9.227 5.564 -0.150 1.00 0.00 C ATOM 712 O LEU A 48 8.129 5.545 0.406 1.00 0.00 O ATOM 713 CB LEU A 48 10.054 3.312 0.557 1.00 0.00 C ATOM 714 CG LEU A 48 11.120 2.417 1.190 1.00 0.00 C ATOM 715 CD1 LEU A 48 10.590 1.005 1.379 1.00 0.00 C ATOM 716 CD2 LEU A 48 12.381 2.406 0.337 1.00 0.00 C ATOM 0 H LEU A 48 10.124 5.168 2.472 1.00 0.00 H new ATOM 0 HA LEU A 48 11.256 4.901 -0.251 1.00 0.00 H new ATOM 0 HB2 LEU A 48 9.141 3.228 1.147 1.00 0.00 H new ATOM 0 HB3 LEU A 48 9.828 2.926 -0.437 1.00 0.00 H new ATOM 0 HG LEU A 48 11.371 2.822 2.170 1.00 0.00 H new ATOM 0 HD11 LEU A 48 11.363 0.384 1.831 1.00 0.00 H new ATOM 0 HD12 LEU A 48 9.717 1.028 2.031 1.00 0.00 H new ATOM 0 HD13 LEU A 48 10.310 0.589 0.411 1.00 0.00 H new ATOM 0 HD21 LEU A 48 13.129 1.764 0.802 1.00 0.00 H new ATOM 0 HD22 LEU A 48 12.145 2.026 -0.657 1.00 0.00 H new ATOM 0 HD23 LEU A 48 12.773 3.420 0.254 1.00 0.00 H new ATOM 728 N VAL A 49 9.459 6.241 -1.270 1.00 0.00 N ATOM 729 CA VAL A 49 8.412 7.015 -1.926 1.00 0.00 C ATOM 730 C VAL A 49 7.641 6.161 -2.926 1.00 0.00 C ATOM 731 O VAL A 49 8.223 5.342 -3.638 1.00 0.00 O ATOM 732 CB VAL A 49 8.994 8.241 -2.656 1.00 0.00 C ATOM 733 CG1 VAL A 49 7.897 8.996 -3.390 1.00 0.00 C ATOM 734 CG2 VAL A 49 9.714 9.152 -1.673 1.00 0.00 C ATOM 0 H VAL A 49 10.363 6.269 -1.742 1.00 0.00 H new ATOM 0 HA VAL A 49 7.733 7.355 -1.144 1.00 0.00 H new ATOM 0 HB VAL A 49 9.718 7.894 -3.393 1.00 0.00 H new ATOM 0 HG11 VAL A 49 8.327 9.858 -3.899 1.00 0.00 H new ATOM 0 HG12 VAL A 49 7.430 8.338 -4.122 1.00 0.00 H new ATOM 0 HG13 VAL A 49 7.147 9.334 -2.675 1.00 0.00 H new ATOM 0 HG21 VAL A 49 10.119 10.013 -2.205 1.00 0.00 H new ATOM 0 HG22 VAL A 49 9.012 9.493 -0.912 1.00 0.00 H new ATOM 0 HG23 VAL A 49 10.527 8.604 -1.197 1.00 0.00 H new ATOM 744 N PHE A 50 6.328 6.359 -2.976 1.00 0.00 N ATOM 745 CA PHE A 50 5.476 5.606 -3.889 1.00 0.00 C ATOM 746 C PHE A 50 4.484 6.528 -4.592 1.00 0.00 C ATOM 747 O PHE A 50 3.553 7.045 -3.974 1.00 0.00 O ATOM 748 CB PHE A 50 4.723 4.510 -3.132 1.00 0.00 C ATOM 749 CG PHE A 50 5.625 3.480 -2.515 1.00 0.00 C ATOM 750 CD1 PHE A 50 6.536 2.783 -3.293 1.00 0.00 C ATOM 751 CD2 PHE A 50 5.561 3.207 -1.158 1.00 0.00 C ATOM 752 CE1 PHE A 50 7.368 1.834 -2.728 1.00 0.00 C ATOM 753 CE2 PHE A 50 6.391 2.260 -0.588 1.00 0.00 C ATOM 754 CZ PHE A 50 7.294 1.571 -1.375 1.00 0.00 C ATOM 0 H PHE A 50 5.831 7.034 -2.395 1.00 0.00 H new ATOM 0 HA PHE A 50 6.113 5.144 -4.643 1.00 0.00 H new ATOM 0 HB2 PHE A 50 4.120 4.969 -2.349 1.00 0.00 H new ATOM 0 HB3 PHE A 50 4.034 4.015 -3.816 1.00 0.00 H new ATOM 0 HD1 PHE A 50 6.597 2.983 -4.353 1.00 0.00 H new ATOM 0 HD2 PHE A 50 4.855 3.740 -0.539 1.00 0.00 H new ATOM 0 HE1 PHE A 50 8.075 1.299 -3.345 1.00 0.00 H new ATOM 0 HE2 PHE A 50 6.334 2.059 0.472 1.00 0.00 H new ATOM 0 HZ PHE A 50 7.941 0.828 -0.932 1.00 0.00 H new ATOM 764 N THR A 51 4.690 6.731 -5.890 1.00 0.00 N ATOM 765 CA THR A 51 3.817 7.591 -6.677 1.00 0.00 C ATOM 766 C THR A 51 2.675 6.795 -7.298 1.00 0.00 C ATOM 767 O THR A 51 2.876 6.042 -8.252 1.00 0.00 O ATOM 768 CB THR A 51 4.595 8.309 -7.796 1.00 0.00 C ATOM 769 OG1 THR A 51 5.808 8.861 -7.273 1.00 0.00 O ATOM 770 CG2 THR A 51 3.754 9.414 -8.417 1.00 0.00 C ATOM 0 H THR A 51 5.455 6.311 -6.418 1.00 0.00 H new ATOM 0 HA THR A 51 3.408 8.335 -5.994 1.00 0.00 H new ATOM 0 HB THR A 51 4.833 7.578 -8.569 1.00 0.00 H new ATOM 0 HG1 THR A 51 6.297 9.314 -7.991 1.00 0.00 H new ATOM 0 HG21 THR A 51 4.324 9.907 -9.204 1.00 0.00 H new ATOM 0 HG22 THR A 51 2.846 8.985 -8.841 1.00 0.00 H new ATOM 0 HG23 THR A 51 3.488 10.143 -7.651 1.00 0.00 H new ATOM 778 N LEU A 52 1.476 6.965 -6.752 1.00 0.00 N ATOM 779 CA LEU A 52 0.300 6.262 -7.254 1.00 0.00 C ATOM 780 C LEU A 52 -0.971 7.055 -6.970 1.00 0.00 C ATOM 781 O LEU A 52 -1.101 7.719 -5.941 1.00 0.00 O ATOM 782 CB LEU A 52 0.202 4.874 -6.618 1.00 0.00 C ATOM 783 CG LEU A 52 0.554 4.790 -5.132 1.00 0.00 C ATOM 784 CD1 LEU A 52 -0.683 5.014 -4.277 1.00 0.00 C ATOM 785 CD2 LEU A 52 1.190 3.445 -4.810 1.00 0.00 C ATOM 0 H LEU A 52 1.292 7.583 -5.962 1.00 0.00 H new ATOM 0 HA LEU A 52 0.405 6.154 -8.334 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -0.815 4.506 -6.751 1.00 0.00 H new ATOM 0 HB3 LEU A 52 0.859 4.198 -7.165 1.00 0.00 H new ATOM 0 HG LEU A 52 1.275 5.575 -4.904 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -0.413 4.951 -3.223 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -1.097 6.000 -4.487 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -1.427 4.252 -4.507 1.00 0.00 H new ATOM 0 HD21 LEU A 52 1.434 3.403 -3.749 1.00 0.00 H new ATOM 0 HD22 LEU A 52 0.492 2.645 -5.054 1.00 0.00 H new ATOM 0 HD23 LEU A 52 2.101 3.323 -5.397 1.00 0.00 H new ATOM 797 N PRO A 53 -1.934 6.984 -7.901 1.00 0.00 N ATOM 798 CA PRO A 53 -3.214 7.687 -7.771 1.00 0.00 C ATOM 799 C PRO A 53 -4.093 7.094 -6.676 1.00 0.00 C ATOM 800 O PRO A 53 -3.813 6.012 -6.158 1.00 0.00 O ATOM 801 CB PRO A 53 -3.865 7.494 -9.143 1.00 0.00 C ATOM 802 CG PRO A 53 -3.255 6.245 -9.679 1.00 0.00 C ATOM 803 CD PRO A 53 -1.848 6.211 -9.151 1.00 0.00 C ATOM 0 HA PRO A 53 -3.079 8.732 -7.491 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -4.948 7.401 -9.058 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -3.668 8.343 -9.798 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -3.815 5.367 -9.355 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -3.263 6.244 -10.769 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -1.511 5.190 -8.970 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -1.144 6.659 -9.853 1.00 0.00 H new ATOM 811 N LEU A 54 -5.158 7.807 -6.327 1.00 0.00 N ATOM 812 CA LEU A 54 -6.080 7.351 -5.293 1.00 0.00 C ATOM 813 C LEU A 54 -7.248 6.585 -5.904 1.00 0.00 C ATOM 814 O LEU A 54 -8.316 7.149 -6.148 1.00 0.00 O ATOM 815 CB LEU A 54 -6.602 8.541 -4.485 1.00 0.00 C ATOM 816 CG LEU A 54 -5.545 9.523 -3.979 1.00 0.00 C ATOM 817 CD1 LEU A 54 -6.115 10.932 -3.911 1.00 0.00 C ATOM 818 CD2 LEU A 54 -5.024 9.090 -2.616 1.00 0.00 C ATOM 0 H LEU A 54 -5.405 8.704 -6.745 1.00 0.00 H new ATOM 0 HA LEU A 54 -5.537 6.679 -4.628 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -7.313 9.090 -5.102 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -7.154 8.158 -3.627 1.00 0.00 H new ATOM 0 HG LEU A 54 -4.711 9.524 -4.681 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.349 11.617 -3.549 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -6.439 11.242 -4.905 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -6.967 10.948 -3.231 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -4.273 9.800 -2.271 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -5.849 9.060 -1.904 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -4.577 8.099 -2.695 1.00 0.00 H new ATOM 830 N THR A 55 -7.041 5.295 -6.149 1.00 0.00 N ATOM 831 CA THR A 55 -8.076 4.450 -6.731 1.00 0.00 C ATOM 832 C THR A 55 -8.282 3.185 -5.907 1.00 0.00 C ATOM 833 O THR A 55 -9.399 2.877 -5.492 1.00 0.00 O ATOM 834 CB THR A 55 -7.732 4.056 -8.180 1.00 0.00 C ATOM 835 OG1 THR A 55 -6.423 3.478 -8.231 1.00 0.00 O ATOM 836 CG2 THR A 55 -7.794 5.266 -9.099 1.00 0.00 C ATOM 0 H THR A 55 -6.164 4.812 -5.953 1.00 0.00 H new ATOM 0 HA THR A 55 -8.997 5.034 -6.730 1.00 0.00 H new ATOM 0 HB THR A 55 -8.466 3.325 -8.519 1.00 0.00 H new ATOM 0 HG1 THR A 55 -6.211 3.228 -9.155 1.00 0.00 H new ATOM 0 HG21 THR A 55 -7.547 4.963 -10.117 1.00 0.00 H new ATOM 0 HG22 THR A 55 -8.799 5.687 -9.079 1.00 0.00 H new ATOM 0 HG23 THR A 55 -7.080 6.017 -8.761 1.00 0.00 H new ATOM 844 N ASP A 56 -7.197 2.455 -5.672 1.00 0.00 N ATOM 845 CA ASP A 56 -7.258 1.222 -4.895 1.00 0.00 C ATOM 846 C ASP A 56 -7.250 1.522 -3.400 1.00 0.00 C ATOM 847 O ASP A 56 -7.300 2.681 -2.990 1.00 0.00 O ATOM 848 CB ASP A 56 -6.082 0.311 -5.252 1.00 0.00 C ATOM 849 CG ASP A 56 -6.399 -0.617 -6.408 1.00 0.00 C ATOM 850 OD1 ASP A 56 -6.570 -0.118 -7.539 1.00 0.00 O ATOM 851 OD2 ASP A 56 -6.477 -1.843 -6.181 1.00 0.00 O ATOM 0 H ASP A 56 -6.265 2.696 -6.008 1.00 0.00 H new ATOM 0 HA ASP A 56 -8.190 0.712 -5.140 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -5.217 0.923 -5.508 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -5.807 -0.281 -4.379 1.00 0.00 H new ATOM 856 N GLN A 57 -7.188 0.469 -2.591 1.00 0.00 N ATOM 857 CA GLN A 57 -7.175 0.620 -1.141 1.00 0.00 C ATOM 858 C GLN A 57 -5.747 0.632 -0.607 1.00 0.00 C ATOM 859 O GLN A 57 -4.789 0.473 -1.363 1.00 0.00 O ATOM 860 CB GLN A 57 -7.969 -0.509 -0.482 1.00 0.00 C ATOM 861 CG GLN A 57 -9.458 -0.466 -0.789 1.00 0.00 C ATOM 862 CD GLN A 57 -10.145 -1.792 -0.530 1.00 0.00 C ATOM 863 OE1 GLN A 57 -9.550 -2.857 -0.699 1.00 0.00 O ATOM 864 NE2 GLN A 57 -11.406 -1.735 -0.118 1.00 0.00 N ATOM 0 H GLN A 57 -7.146 -0.497 -2.915 1.00 0.00 H new ATOM 0 HA GLN A 57 -7.642 1.574 -0.897 1.00 0.00 H new ATOM 0 HB2 GLN A 57 -7.566 -1.466 -0.812 1.00 0.00 H new ATOM 0 HB3 GLN A 57 -7.828 -0.459 0.598 1.00 0.00 H new ATOM 0 HG2 GLN A 57 -9.928 0.307 -0.182 1.00 0.00 H new ATOM 0 HG3 GLN A 57 -9.602 -0.184 -1.832 1.00 0.00 H new ATOM 0 HE21 GLN A 57 -11.861 -0.831 0.009 1.00 0.00 H new ATOM 0 HE22 GLN A 57 -11.920 -2.595 0.072 1.00 0.00 H new ATOM 873 N VAL A 58 -5.611 0.822 0.702 1.00 0.00 N ATOM 874 CA VAL A 58 -4.299 0.854 1.338 1.00 0.00 C ATOM 875 C VAL A 58 -3.481 -0.379 0.971 1.00 0.00 C ATOM 876 O VAL A 58 -2.251 -0.353 1.007 1.00 0.00 O ATOM 877 CB VAL A 58 -4.421 0.938 2.871 1.00 0.00 C ATOM 878 CG1 VAL A 58 -3.049 0.840 3.521 1.00 0.00 C ATOM 879 CG2 VAL A 58 -5.123 2.225 3.279 1.00 0.00 C ATOM 0 H VAL A 58 -6.393 0.956 1.343 1.00 0.00 H new ATOM 0 HA VAL A 58 -3.791 1.746 0.972 1.00 0.00 H new ATOM 0 HB VAL A 58 -5.022 0.097 3.218 1.00 0.00 H new ATOM 0 HG11 VAL A 58 -3.154 0.901 4.604 1.00 0.00 H new ATOM 0 HG12 VAL A 58 -2.587 -0.111 3.254 1.00 0.00 H new ATOM 0 HG13 VAL A 58 -2.421 1.659 3.171 1.00 0.00 H new ATOM 0 HG21 VAL A 58 -5.201 2.268 4.365 1.00 0.00 H new ATOM 0 HG22 VAL A 58 -4.550 3.081 2.922 1.00 0.00 H new ATOM 0 HG23 VAL A 58 -6.121 2.249 2.842 1.00 0.00 H new ATOM 889 N SER A 59 -4.172 -1.458 0.617 1.00 0.00 N ATOM 890 CA SER A 59 -3.509 -2.702 0.246 1.00 0.00 C ATOM 891 C SER A 59 -2.391 -2.444 -0.759 1.00 0.00 C ATOM 892 O SER A 59 -1.273 -2.935 -0.601 1.00 0.00 O ATOM 893 CB SER A 59 -4.521 -3.688 -0.341 1.00 0.00 C ATOM 894 OG SER A 59 -3.869 -4.818 -0.896 1.00 0.00 O ATOM 0 H SER A 59 -5.191 -1.495 0.579 1.00 0.00 H new ATOM 0 HA SER A 59 -3.071 -3.134 1.146 1.00 0.00 H new ATOM 0 HB2 SER A 59 -5.214 -4.009 0.437 1.00 0.00 H new ATOM 0 HB3 SER A 59 -5.113 -3.192 -1.110 1.00 0.00 H new ATOM 0 HG SER A 59 -4.537 -5.434 -1.263 1.00 0.00 H new ATOM 900 N VAL A 60 -2.702 -1.670 -1.794 1.00 0.00 N ATOM 901 CA VAL A 60 -1.724 -1.344 -2.826 1.00 0.00 C ATOM 902 C VAL A 60 -0.480 -0.703 -2.221 1.00 0.00 C ATOM 903 O VAL A 60 0.617 -0.814 -2.770 1.00 0.00 O ATOM 904 CB VAL A 60 -2.318 -0.392 -3.881 1.00 0.00 C ATOM 905 CG1 VAL A 60 -3.382 -1.102 -4.703 1.00 0.00 C ATOM 906 CG2 VAL A 60 -2.888 0.851 -3.215 1.00 0.00 C ATOM 0 H VAL A 60 -3.623 -1.257 -1.940 1.00 0.00 H new ATOM 0 HA VAL A 60 -1.448 -2.282 -3.308 1.00 0.00 H new ATOM 0 HB VAL A 60 -1.520 -0.082 -4.556 1.00 0.00 H new ATOM 0 HG11 VAL A 60 -3.790 -0.413 -5.443 1.00 0.00 H new ATOM 0 HG12 VAL A 60 -2.938 -1.959 -5.210 1.00 0.00 H new ATOM 0 HG13 VAL A 60 -4.182 -1.444 -4.046 1.00 0.00 H new ATOM 0 HG21 VAL A 60 -3.304 1.513 -3.975 1.00 0.00 H new ATOM 0 HG22 VAL A 60 -3.673 0.562 -2.517 1.00 0.00 H new ATOM 0 HG23 VAL A 60 -2.096 1.370 -2.675 1.00 0.00 H new ATOM 916 N ILE A 61 -0.657 -0.034 -1.087 1.00 0.00 N ATOM 917 CA ILE A 61 0.452 0.624 -0.407 1.00 0.00 C ATOM 918 C ILE A 61 1.282 -0.379 0.387 1.00 0.00 C ATOM 919 O ILE A 61 2.493 -0.220 0.535 1.00 0.00 O ATOM 920 CB ILE A 61 -0.046 1.728 0.544 1.00 0.00 C ATOM 921 CG1 ILE A 61 -0.599 2.909 -0.256 1.00 0.00 C ATOM 922 CG2 ILE A 61 1.078 2.183 1.462 1.00 0.00 C ATOM 923 CD1 ILE A 61 -2.053 2.750 -0.643 1.00 0.00 C ATOM 0 H ILE A 61 -1.558 0.067 -0.619 1.00 0.00 H new ATOM 0 HA ILE A 61 1.073 1.075 -1.180 1.00 0.00 H new ATOM 0 HB ILE A 61 -0.849 1.322 1.159 1.00 0.00 H new ATOM 0 HG12 ILE A 61 -0.485 3.820 0.331 1.00 0.00 H new ATOM 0 HG13 ILE A 61 -0.003 3.036 -1.160 1.00 0.00 H new ATOM 0 HG21 ILE A 61 0.710 2.964 2.128 1.00 0.00 H new ATOM 0 HG22 ILE A 61 1.430 1.337 2.053 1.00 0.00 H new ATOM 0 HG23 ILE A 61 1.901 2.575 0.864 1.00 0.00 H new ATOM 0 HD11 ILE A 61 -2.377 3.624 -1.208 1.00 0.00 H new ATOM 0 HD12 ILE A 61 -2.170 1.857 -1.257 1.00 0.00 H new ATOM 0 HD13 ILE A 61 -2.661 2.654 0.257 1.00 0.00 H new ATOM 935 N LYS A 62 0.622 -1.414 0.895 1.00 0.00 N ATOM 936 CA LYS A 62 1.297 -2.447 1.672 1.00 0.00 C ATOM 937 C LYS A 62 2.060 -3.402 0.760 1.00 0.00 C ATOM 938 O LYS A 62 3.226 -3.712 1.005 1.00 0.00 O ATOM 939 CB LYS A 62 0.284 -3.227 2.512 1.00 0.00 C ATOM 940 CG LYS A 62 -0.518 -2.355 3.462 1.00 0.00 C ATOM 941 CD LYS A 62 -0.911 -3.113 4.719 1.00 0.00 C ATOM 942 CE LYS A 62 -1.095 -2.175 5.902 1.00 0.00 C ATOM 943 NZ LYS A 62 -2.361 -1.397 5.801 1.00 0.00 N ATOM 0 H LYS A 62 -0.381 -1.560 0.782 1.00 0.00 H new ATOM 0 HA LYS A 62 2.010 -1.959 2.336 1.00 0.00 H new ATOM 0 HB2 LYS A 62 -0.402 -3.750 1.846 1.00 0.00 H new ATOM 0 HB3 LYS A 62 0.811 -3.988 3.088 1.00 0.00 H new ATOM 0 HG2 LYS A 62 0.068 -1.477 3.734 1.00 0.00 H new ATOM 0 HG3 LYS A 62 -1.415 -1.996 2.958 1.00 0.00 H new ATOM 0 HD2 LYS A 62 -1.836 -3.661 4.540 1.00 0.00 H new ATOM 0 HD3 LYS A 62 -0.144 -3.851 4.955 1.00 0.00 H new ATOM 0 HE2 LYS A 62 -1.096 -2.752 6.827 1.00 0.00 H new ATOM 0 HE3 LYS A 62 -0.250 -1.488 5.956 1.00 0.00 H new ATOM 0 HZ1 LYS A 62 -2.169 -0.394 6.000 1.00 0.00 H new ATOM 0 HZ2 LYS A 62 -2.751 -1.491 4.841 1.00 0.00 H new ATOM 0 HZ3 LYS A 62 -3.048 -1.761 6.491 1.00 0.00 H new ATOM 957 N VAL A 63 1.395 -3.865 -0.294 1.00 0.00 N ATOM 958 CA VAL A 63 2.011 -4.783 -1.244 1.00 0.00 C ATOM 959 C VAL A 63 3.350 -4.246 -1.738 1.00 0.00 C ATOM 960 O VAL A 63 4.296 -5.005 -1.952 1.00 0.00 O ATOM 961 CB VAL A 63 1.095 -5.036 -2.456 1.00 0.00 C ATOM 962 CG1 VAL A 63 1.123 -3.848 -3.405 1.00 0.00 C ATOM 963 CG2 VAL A 63 1.503 -6.313 -3.175 1.00 0.00 C ATOM 0 H VAL A 63 0.429 -3.619 -0.511 1.00 0.00 H new ATOM 0 HA VAL A 63 2.171 -5.723 -0.716 1.00 0.00 H new ATOM 0 HB VAL A 63 0.073 -5.159 -2.097 1.00 0.00 H new ATOM 0 HG11 VAL A 63 0.470 -4.046 -4.255 1.00 0.00 H new ATOM 0 HG12 VAL A 63 0.778 -2.956 -2.882 1.00 0.00 H new ATOM 0 HG13 VAL A 63 2.141 -3.689 -3.759 1.00 0.00 H new ATOM 0 HG21 VAL A 63 0.845 -6.476 -4.029 1.00 0.00 H new ATOM 0 HG22 VAL A 63 2.532 -6.222 -3.522 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.425 -7.157 -2.490 1.00 0.00 H new ATOM 973 N LYS A 64 3.425 -2.932 -1.916 1.00 0.00 N ATOM 974 CA LYS A 64 4.648 -2.290 -2.383 1.00 0.00 C ATOM 975 C LYS A 64 5.794 -2.528 -1.405 1.00 0.00 C ATOM 976 O LYS A 64 6.916 -2.832 -1.811 1.00 0.00 O ATOM 977 CB LYS A 64 4.423 -0.788 -2.566 1.00 0.00 C ATOM 978 CG LYS A 64 3.360 -0.453 -3.597 1.00 0.00 C ATOM 979 CD LYS A 64 3.954 -0.325 -4.990 1.00 0.00 C ATOM 980 CE LYS A 64 4.397 1.102 -5.278 1.00 0.00 C ATOM 981 NZ LYS A 64 5.337 1.169 -6.431 1.00 0.00 N ATOM 0 H LYS A 64 2.652 -2.289 -1.744 1.00 0.00 H new ATOM 0 HA LYS A 64 4.916 -2.730 -3.344 1.00 0.00 H new ATOM 0 HB2 LYS A 64 4.138 -0.353 -1.608 1.00 0.00 H new ATOM 0 HB3 LYS A 64 5.363 -0.322 -2.861 1.00 0.00 H new ATOM 0 HG2 LYS A 64 2.595 -1.229 -3.597 1.00 0.00 H new ATOM 0 HG3 LYS A 64 2.868 0.480 -3.323 1.00 0.00 H new ATOM 0 HD2 LYS A 64 4.806 -0.998 -5.087 1.00 0.00 H new ATOM 0 HD3 LYS A 64 3.217 -0.635 -5.731 1.00 0.00 H new ATOM 0 HE2 LYS A 64 3.523 1.719 -5.486 1.00 0.00 H new ATOM 0 HE3 LYS A 64 4.878 1.519 -4.393 1.00 0.00 H new ATOM 0 HZ1 LYS A 64 5.615 2.158 -6.595 1.00 0.00 H new ATOM 0 HZ2 LYS A 64 6.183 0.601 -6.223 1.00 0.00 H new ATOM 0 HZ3 LYS A 64 4.870 0.795 -7.282 1.00 0.00 H new ATOM 995 N ILE A 65 5.504 -2.389 -0.116 1.00 0.00 N ATOM 996 CA ILE A 65 6.510 -2.592 0.919 1.00 0.00 C ATOM 997 C ILE A 65 7.191 -3.947 0.766 1.00 0.00 C ATOM 998 O ILE A 65 8.366 -4.027 0.407 1.00 0.00 O ATOM 999 CB ILE A 65 5.896 -2.494 2.328 1.00 0.00 C ATOM 1000 CG1 ILE A 65 5.263 -1.117 2.538 1.00 0.00 C ATOM 1001 CG2 ILE A 65 6.955 -2.763 3.387 1.00 0.00 C ATOM 1002 CD1 ILE A 65 4.478 -1.004 3.826 1.00 0.00 C ATOM 0 H ILE A 65 4.581 -2.137 0.237 1.00 0.00 H new ATOM 0 HA ILE A 65 7.250 -1.801 0.799 1.00 0.00 H new ATOM 0 HB ILE A 65 5.116 -3.250 2.422 1.00 0.00 H new ATOM 0 HG12 ILE A 65 6.048 -0.360 2.532 1.00 0.00 H new ATOM 0 HG13 ILE A 65 4.603 -0.898 1.699 1.00 0.00 H new ATOM 0 HG21 ILE A 65 6.506 -2.690 4.377 1.00 0.00 H new ATOM 0 HG22 ILE A 65 7.364 -3.764 3.247 1.00 0.00 H new ATOM 0 HG23 ILE A 65 7.755 -2.028 3.296 1.00 0.00 H new ATOM 0 HD11 ILE A 65 4.058 -0.002 3.909 1.00 0.00 H new ATOM 0 HD12 ILE A 65 3.671 -1.737 3.826 1.00 0.00 H new ATOM 0 HD13 ILE A 65 5.139 -1.192 4.672 1.00 0.00 H new ATOM 1014 N HIS A 66 6.445 -5.013 1.040 1.00 0.00 N ATOM 1015 CA HIS A 66 6.976 -6.367 0.930 1.00 0.00 C ATOM 1016 C HIS A 66 7.840 -6.512 -0.319 1.00 0.00 C ATOM 1017 O HIS A 66 8.818 -7.258 -0.324 1.00 0.00 O ATOM 1018 CB HIS A 66 5.834 -7.383 0.896 1.00 0.00 C ATOM 1019 CG HIS A 66 6.291 -8.802 1.045 1.00 0.00 C ATOM 1020 ND1 HIS A 66 6.110 -9.758 0.067 1.00 0.00 N ATOM 1021 CD2 HIS A 66 6.926 -9.425 2.065 1.00 0.00 C ATOM 1022 CE1 HIS A 66 6.613 -10.907 0.480 1.00 0.00 C ATOM 1023 NE2 HIS A 66 7.114 -10.732 1.690 1.00 0.00 N ATOM 0 H HIS A 66 5.471 -4.965 1.340 1.00 0.00 H new ATOM 0 HA HIS A 66 7.598 -6.560 1.804 1.00 0.00 H new ATOM 0 HB2 HIS A 66 5.128 -7.151 1.694 1.00 0.00 H new ATOM 0 HB3 HIS A 66 5.295 -7.280 -0.046 1.00 0.00 H new ATOM 0 HD2 HIS A 66 7.229 -8.977 3.000 1.00 0.00 H new ATOM 0 HE1 HIS A 66 6.615 -11.832 -0.077 1.00 0.00 H new ATOM 0 HE2 HIS A 66 7.567 -11.451 2.254 1.00 0.00 H new ATOM 1032 N GLU A 67 7.471 -5.794 -1.375 1.00 0.00 N ATOM 1033 CA GLU A 67 8.213 -5.845 -2.629 1.00 0.00 C ATOM 1034 C GLU A 67 9.678 -5.480 -2.410 1.00 0.00 C ATOM 1035 O GLU A 67 10.574 -6.281 -2.673 1.00 0.00 O ATOM 1036 CB GLU A 67 7.587 -4.899 -3.656 1.00 0.00 C ATOM 1037 CG GLU A 67 7.681 -5.404 -5.086 1.00 0.00 C ATOM 1038 CD GLU A 67 9.048 -5.971 -5.416 1.00 0.00 C ATOM 1039 OE1 GLU A 67 9.264 -7.177 -5.177 1.00 0.00 O ATOM 1040 OE2 GLU A 67 9.902 -5.207 -5.914 1.00 0.00 O ATOM 0 H GLU A 67 6.664 -5.171 -1.387 1.00 0.00 H new ATOM 0 HA GLU A 67 8.165 -6.865 -3.009 1.00 0.00 H new ATOM 0 HB2 GLU A 67 6.538 -4.744 -3.403 1.00 0.00 H new ATOM 0 HB3 GLU A 67 8.078 -3.928 -3.590 1.00 0.00 H new ATOM 0 HG2 GLU A 67 6.925 -6.172 -5.246 1.00 0.00 H new ATOM 0 HG3 GLU A 67 7.456 -4.587 -5.771 1.00 0.00 H new ATOM 1047 N ALA A 68 9.913 -4.263 -1.929 1.00 0.00 N ATOM 1048 CA ALA A 68 11.268 -3.792 -1.673 1.00 0.00 C ATOM 1049 C ALA A 68 11.853 -4.451 -0.429 1.00 0.00 C ATOM 1050 O ALA A 68 12.885 -5.121 -0.495 1.00 0.00 O ATOM 1051 CB ALA A 68 11.280 -2.277 -1.525 1.00 0.00 C ATOM 0 H ALA A 68 9.182 -3.586 -1.709 1.00 0.00 H new ATOM 0 HA ALA A 68 11.889 -4.069 -2.525 1.00 0.00 H new ATOM 0 HB1 ALA A 68 12.298 -1.938 -1.334 1.00 0.00 H new ATOM 0 HB2 ALA A 68 10.911 -1.819 -2.443 1.00 0.00 H new ATOM 0 HB3 ALA A 68 10.639 -1.988 -0.692 1.00 0.00 H new ATOM 1057 N THR A 69 11.189 -4.257 0.706 1.00 0.00 N ATOM 1058 CA THR A 69 11.644 -4.832 1.966 1.00 0.00 C ATOM 1059 C THR A 69 11.025 -6.204 2.200 1.00 0.00 C ATOM 1060 O THR A 69 9.974 -6.524 1.647 1.00 0.00 O ATOM 1061 CB THR A 69 11.302 -3.916 3.157 1.00 0.00 C ATOM 1062 OG1 THR A 69 9.882 -3.799 3.292 1.00 0.00 O ATOM 1063 CG2 THR A 69 11.915 -2.536 2.973 1.00 0.00 C ATOM 0 H THR A 69 10.334 -3.706 0.779 1.00 0.00 H new ATOM 0 HA THR A 69 12.727 -4.934 1.894 1.00 0.00 H new ATOM 0 HB THR A 69 11.717 -4.362 4.061 1.00 0.00 H new ATOM 0 HG1 THR A 69 9.673 -3.217 4.052 1.00 0.00 H new ATOM 0 HG21 THR A 69 11.660 -1.908 3.826 1.00 0.00 H new ATOM 0 HG22 THR A 69 12.999 -2.626 2.900 1.00 0.00 H new ATOM 0 HG23 THR A 69 11.526 -2.084 2.060 1.00 0.00 H new ATOM 1071 N GLY A 70 11.684 -7.013 3.025 1.00 0.00 N ATOM 1072 CA GLY A 70 11.182 -8.343 3.318 1.00 0.00 C ATOM 1073 C GLY A 70 10.110 -8.334 4.390 1.00 0.00 C ATOM 1074 O GLY A 70 9.989 -9.283 5.164 1.00 0.00 O ATOM 0 H GLY A 70 12.556 -6.771 3.495 1.00 0.00 H new ATOM 0 HA2 GLY A 70 10.777 -8.784 2.407 1.00 0.00 H new ATOM 0 HA3 GLY A 70 12.008 -8.977 3.640 1.00 0.00 H new ATOM 1078 N MET A 71 9.330 -7.259 4.436 1.00 0.00 N ATOM 1079 CA MET A 71 8.262 -7.131 5.422 1.00 0.00 C ATOM 1080 C MET A 71 6.915 -7.515 4.817 1.00 0.00 C ATOM 1081 O MET A 71 6.530 -7.039 3.749 1.00 0.00 O ATOM 1082 CB MET A 71 8.205 -5.700 5.960 1.00 0.00 C ATOM 1083 CG MET A 71 7.466 -5.578 7.283 1.00 0.00 C ATOM 1084 SD MET A 71 7.687 -3.964 8.055 1.00 0.00 S ATOM 1085 CE MET A 71 7.250 -4.337 9.751 1.00 0.00 C ATOM 0 H MET A 71 9.417 -6.464 3.803 1.00 0.00 H new ATOM 0 HA MET A 71 8.477 -7.812 6.245 1.00 0.00 H new ATOM 0 HB2 MET A 71 9.221 -5.327 6.085 1.00 0.00 H new ATOM 0 HB3 MET A 71 7.720 -5.062 5.222 1.00 0.00 H new ATOM 0 HG2 MET A 71 6.403 -5.756 7.119 1.00 0.00 H new ATOM 0 HG3 MET A 71 7.817 -6.353 7.964 1.00 0.00 H new ATOM 0 HE1 MET A 71 6.775 -3.467 10.204 1.00 0.00 H new ATOM 0 HE2 MET A 71 6.559 -5.180 9.772 1.00 0.00 H new ATOM 0 HE3 MET A 71 8.150 -4.592 10.311 1.00 0.00 H new ATOM 1095 N PRO A 72 6.182 -8.395 5.515 1.00 0.00 N ATOM 1096 CA PRO A 72 4.866 -8.861 5.065 1.00 0.00 C ATOM 1097 C PRO A 72 3.807 -7.767 5.143 1.00 0.00 C ATOM 1098 O PRO A 72 3.925 -6.830 5.931 1.00 0.00 O ATOM 1099 CB PRO A 72 4.539 -9.993 6.042 1.00 0.00 C ATOM 1100 CG PRO A 72 5.319 -9.672 7.269 1.00 0.00 C ATOM 1101 CD PRO A 72 6.579 -9.002 6.796 1.00 0.00 C ATOM 0 HA PRO A 72 4.878 -9.171 4.020 1.00 0.00 H new ATOM 0 HB2 PRO A 72 3.470 -10.038 6.253 1.00 0.00 H new ATOM 0 HB3 PRO A 72 4.824 -10.963 5.634 1.00 0.00 H new ATOM 0 HG2 PRO A 72 4.753 -9.016 7.931 1.00 0.00 H new ATOM 0 HG3 PRO A 72 5.546 -10.576 7.834 1.00 0.00 H new ATOM 0 HD2 PRO A 72 6.926 -8.251 7.506 1.00 0.00 H new ATOM 0 HD3 PRO A 72 7.391 -9.718 6.667 1.00 0.00 H new ATOM 1109 N ALA A 73 2.771 -7.894 4.319 1.00 0.00 N ATOM 1110 CA ALA A 73 1.689 -6.917 4.297 1.00 0.00 C ATOM 1111 C ALA A 73 0.722 -7.142 5.455 1.00 0.00 C ATOM 1112 O ALA A 73 -0.494 -7.084 5.281 1.00 0.00 O ATOM 1113 CB ALA A 73 0.948 -6.981 2.969 1.00 0.00 C ATOM 0 H ALA A 73 2.659 -8.663 3.659 1.00 0.00 H new ATOM 0 HA ALA A 73 2.126 -5.925 4.410 1.00 0.00 H new ATOM 0 HB1 ALA A 73 0.143 -6.246 2.966 1.00 0.00 H new ATOM 0 HB2 ALA A 73 1.640 -6.764 2.155 1.00 0.00 H new ATOM 0 HB3 ALA A 73 0.530 -7.978 2.833 1.00 0.00 H new ATOM 1119 N GLY A 74 1.273 -7.399 6.638 1.00 0.00 N ATOM 1120 CA GLY A 74 0.444 -7.629 7.807 1.00 0.00 C ATOM 1121 C GLY A 74 0.981 -6.936 9.043 1.00 0.00 C ATOM 1122 O GLY A 74 0.435 -5.924 9.483 1.00 0.00 O ATOM 0 H GLY A 74 2.277 -7.452 6.807 1.00 0.00 H new ATOM 0 HA2 GLY A 74 -0.568 -7.276 7.607 1.00 0.00 H new ATOM 0 HA3 GLY A 74 0.376 -8.700 7.995 1.00 0.00 H new ATOM 1126 N LYS A 75 2.053 -7.482 9.607 1.00 0.00 N ATOM 1127 CA LYS A 75 2.665 -6.910 10.801 1.00 0.00 C ATOM 1128 C LYS A 75 2.904 -5.414 10.627 1.00 0.00 C ATOM 1129 O LYS A 75 2.607 -4.621 11.521 1.00 0.00 O ATOM 1130 CB LYS A 75 3.987 -7.616 11.110 1.00 0.00 C ATOM 1131 CG LYS A 75 3.820 -9.072 11.510 1.00 0.00 C ATOM 1132 CD LYS A 75 5.131 -9.672 11.988 1.00 0.00 C ATOM 1133 CE LYS A 75 4.898 -10.892 12.867 1.00 0.00 C ATOM 1134 NZ LYS A 75 6.090 -11.784 12.905 1.00 0.00 N ATOM 0 H LYS A 75 2.516 -8.320 9.256 1.00 0.00 H new ATOM 0 HA LYS A 75 1.979 -7.056 11.635 1.00 0.00 H new ATOM 0 HB2 LYS A 75 4.632 -7.560 10.233 1.00 0.00 H new ATOM 0 HB3 LYS A 75 4.495 -7.083 11.914 1.00 0.00 H new ATOM 0 HG2 LYS A 75 3.073 -9.150 12.300 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.446 -9.643 10.660 1.00 0.00 H new ATOM 0 HD2 LYS A 75 5.739 -9.953 11.128 1.00 0.00 H new ATOM 0 HD3 LYS A 75 5.694 -8.923 12.545 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.654 -10.569 13.879 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.039 -11.450 12.494 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 5.891 -12.603 13.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 6.308 -12.113 11.943 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 6.904 -11.260 13.285 1.00 0.00 H new ATOM 1148 N GLN A 76 3.440 -5.035 9.471 1.00 0.00 N ATOM 1149 CA GLN A 76 3.717 -3.634 9.181 1.00 0.00 C ATOM 1150 C GLN A 76 2.500 -2.764 9.480 1.00 0.00 C ATOM 1151 O GLN A 76 1.455 -2.901 8.845 1.00 0.00 O ATOM 1152 CB GLN A 76 4.131 -3.466 7.718 1.00 0.00 C ATOM 1153 CG GLN A 76 3.122 -4.033 6.732 1.00 0.00 C ATOM 1154 CD GLN A 76 3.565 -3.879 5.290 1.00 0.00 C ATOM 1155 OE1 GLN A 76 2.883 -3.245 4.484 1.00 0.00 O ATOM 1156 NE2 GLN A 76 4.712 -4.459 4.958 1.00 0.00 N ATOM 0 H GLN A 76 3.691 -5.679 8.721 1.00 0.00 H new ATOM 0 HA GLN A 76 4.537 -3.312 9.823 1.00 0.00 H new ATOM 0 HB2 GLN A 76 4.275 -2.406 7.509 1.00 0.00 H new ATOM 0 HB3 GLN A 76 5.093 -3.955 7.563 1.00 0.00 H new ATOM 0 HG2 GLN A 76 2.963 -5.089 6.948 1.00 0.00 H new ATOM 0 HG3 GLN A 76 2.164 -3.531 6.869 1.00 0.00 H new ATOM 0 HE21 GLN A 76 5.244 -4.975 5.659 1.00 0.00 H new ATOM 0 HE22 GLN A 76 5.061 -4.389 4.002 1.00 0.00 H new ATOM 1165 N LYS A 77 2.643 -1.870 10.453 1.00 0.00 N ATOM 1166 CA LYS A 77 1.556 -0.977 10.837 1.00 0.00 C ATOM 1167 C LYS A 77 1.716 0.389 10.179 1.00 0.00 C ATOM 1168 O LYS A 77 2.561 1.189 10.582 1.00 0.00 O ATOM 1169 CB LYS A 77 1.513 -0.820 12.359 1.00 0.00 C ATOM 1170 CG LYS A 77 0.237 -0.169 12.867 1.00 0.00 C ATOM 1171 CD LYS A 77 -0.839 -1.202 13.154 1.00 0.00 C ATOM 1172 CE LYS A 77 -0.769 -1.696 14.591 1.00 0.00 C ATOM 1173 NZ LYS A 77 -1.885 -2.627 14.913 1.00 0.00 N ATOM 0 H LYS A 77 3.501 -1.745 10.990 1.00 0.00 H new ATOM 0 HA LYS A 77 0.619 -1.417 10.496 1.00 0.00 H new ATOM 0 HB2 LYS A 77 1.619 -1.802 12.820 1.00 0.00 H new ATOM 0 HB3 LYS A 77 2.368 -0.224 12.679 1.00 0.00 H new ATOM 0 HG2 LYS A 77 0.452 0.396 13.774 1.00 0.00 H new ATOM 0 HG3 LYS A 77 -0.129 0.543 12.127 1.00 0.00 H new ATOM 0 HD2 LYS A 77 -1.821 -0.768 12.965 1.00 0.00 H new ATOM 0 HD3 LYS A 77 -0.726 -2.045 12.472 1.00 0.00 H new ATOM 0 HE2 LYS A 77 0.183 -2.200 14.756 1.00 0.00 H new ATOM 0 HE3 LYS A 77 -0.800 -0.844 15.270 1.00 0.00 H new ATOM 0 HZ1 LYS A 77 -1.801 -2.941 15.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 77 -2.794 -2.139 14.781 1.00 0.00 H new ATOM 0 HZ3 LYS A 77 -1.841 -3.453 14.283 1.00 0.00 H new ATOM 1187 N LEU A 78 0.899 0.651 9.164 1.00 0.00 N ATOM 1188 CA LEU A 78 0.949 1.922 8.450 1.00 0.00 C ATOM 1189 C LEU A 78 0.104 2.977 9.157 1.00 0.00 C ATOM 1190 O LEU A 78 -1.118 2.858 9.233 1.00 0.00 O ATOM 1191 CB LEU A 78 0.459 1.741 7.012 1.00 0.00 C ATOM 1192 CG LEU A 78 1.309 0.831 6.124 1.00 0.00 C ATOM 1193 CD1 LEU A 78 0.729 0.763 4.720 1.00 0.00 C ATOM 1194 CD2 LEU A 78 2.750 1.320 6.083 1.00 0.00 C ATOM 0 H LEU A 78 0.194 0.000 8.817 1.00 0.00 H new ATOM 0 HA LEU A 78 1.985 2.262 8.435 1.00 0.00 H new ATOM 0 HB2 LEU A 78 -0.555 1.342 7.042 1.00 0.00 H new ATOM 0 HB3 LEU A 78 0.401 2.723 6.542 1.00 0.00 H new ATOM 0 HG LEU A 78 1.298 -0.172 6.550 1.00 0.00 H new ATOM 0 HD11 LEU A 78 1.347 0.111 4.102 1.00 0.00 H new ATOM 0 HD12 LEU A 78 -0.285 0.367 4.764 1.00 0.00 H new ATOM 0 HD13 LEU A 78 0.709 1.763 4.286 1.00 0.00 H new ATOM 0 HD21 LEU A 78 3.340 0.661 5.447 1.00 0.00 H new ATOM 0 HD22 LEU A 78 2.779 2.333 5.682 1.00 0.00 H new ATOM 0 HD23 LEU A 78 3.164 1.317 7.091 1.00 0.00 H new ATOM 1206 N GLN A 79 0.765 4.009 9.671 1.00 0.00 N ATOM 1207 CA GLN A 79 0.074 5.086 10.371 1.00 0.00 C ATOM 1208 C GLN A 79 0.058 6.358 9.530 1.00 0.00 C ATOM 1209 O GLN A 79 0.991 6.627 8.774 1.00 0.00 O ATOM 1210 CB GLN A 79 0.745 5.360 11.718 1.00 0.00 C ATOM 1211 CG GLN A 79 -0.180 6.007 12.737 1.00 0.00 C ATOM 1212 CD GLN A 79 0.576 6.743 13.826 1.00 0.00 C ATOM 1213 OE1 GLN A 79 1.406 7.608 13.545 1.00 0.00 O ATOM 1214 NE2 GLN A 79 0.292 6.404 15.078 1.00 0.00 N ATOM 0 H GLN A 79 1.777 4.122 9.616 1.00 0.00 H new ATOM 0 HA GLN A 79 -0.956 4.772 10.543 1.00 0.00 H new ATOM 0 HB2 GLN A 79 1.121 4.421 12.125 1.00 0.00 H new ATOM 0 HB3 GLN A 79 1.608 6.007 11.560 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -0.845 6.704 12.227 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -0.808 5.240 13.190 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -0.403 5.681 15.266 1.00 0.00 H new ATOM 0 HE22 GLN A 79 0.769 6.866 15.852 1.00 0.00 H new ATOM 1223 N TYR A 80 -1.009 7.138 9.667 1.00 0.00 N ATOM 1224 CA TYR A 80 -1.149 8.381 8.918 1.00 0.00 C ATOM 1225 C TYR A 80 -1.928 9.417 9.723 1.00 0.00 C ATOM 1226 O TYR A 80 -3.129 9.269 9.947 1.00 0.00 O ATOM 1227 CB TYR A 80 -1.851 8.121 7.584 1.00 0.00 C ATOM 1228 CG TYR A 80 -2.296 9.382 6.879 1.00 0.00 C ATOM 1229 CD1 TYR A 80 -1.375 10.350 6.497 1.00 0.00 C ATOM 1230 CD2 TYR A 80 -3.638 9.606 6.595 1.00 0.00 C ATOM 1231 CE1 TYR A 80 -1.777 11.504 5.852 1.00 0.00 C ATOM 1232 CE2 TYR A 80 -4.049 10.756 5.950 1.00 0.00 C ATOM 1233 CZ TYR A 80 -3.115 11.702 5.581 1.00 0.00 C ATOM 1234 OH TYR A 80 -3.521 12.850 4.939 1.00 0.00 O ATOM 0 H TYR A 80 -1.790 6.931 10.290 1.00 0.00 H new ATOM 0 HA TYR A 80 -0.151 8.774 8.725 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -1.177 7.568 6.930 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -2.720 7.486 7.758 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -0.327 10.198 6.708 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -4.372 8.868 6.884 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -1.048 12.246 5.562 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.096 10.914 5.736 1.00 0.00 H new ATOM 0 HH TYR A 80 -4.494 12.833 4.823 1.00 0.00 H new ATOM 1244 N GLU A 81 -1.235 10.467 10.152 1.00 0.00 N ATOM 1245 CA GLU A 81 -1.861 11.528 10.932 1.00 0.00 C ATOM 1246 C GLU A 81 -2.448 10.977 12.228 1.00 0.00 C ATOM 1247 O GLU A 81 -3.578 11.296 12.596 1.00 0.00 O ATOM 1248 CB GLU A 81 -2.958 12.213 10.114 1.00 0.00 C ATOM 1249 CG GLU A 81 -2.429 13.013 8.936 1.00 0.00 C ATOM 1250 CD GLU A 81 -1.855 14.354 9.352 1.00 0.00 C ATOM 1251 OE1 GLU A 81 -2.350 14.929 10.344 1.00 0.00 O ATOM 1252 OE2 GLU A 81 -0.911 14.827 8.686 1.00 0.00 O ATOM 0 H GLU A 81 -0.240 10.606 9.973 1.00 0.00 H new ATOM 0 HA GLU A 81 -1.093 12.260 11.183 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -3.651 11.457 9.747 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -3.526 12.876 10.767 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -1.659 12.435 8.426 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -3.235 13.173 8.219 1.00 0.00 H new ATOM 1259 N GLY A 82 -1.670 10.147 12.917 1.00 0.00 N ATOM 1260 CA GLY A 82 -2.129 9.564 14.165 1.00 0.00 C ATOM 1261 C GLY A 82 -3.261 8.578 13.962 1.00 0.00 C ATOM 1262 O GLY A 82 -4.049 8.331 14.875 1.00 0.00 O ATOM 0 H GLY A 82 -0.731 9.868 12.633 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -1.296 9.060 14.655 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -2.459 10.359 14.834 1.00 0.00 H new ATOM 1266 N ILE A 83 -3.345 8.014 12.761 1.00 0.00 N ATOM 1267 CA ILE A 83 -4.390 7.050 12.442 1.00 0.00 C ATOM 1268 C ILE A 83 -3.795 5.749 11.913 1.00 0.00 C ATOM 1269 O ILE A 83 -2.744 5.750 11.272 1.00 0.00 O ATOM 1270 CB ILE A 83 -5.375 7.612 11.399 1.00 0.00 C ATOM 1271 CG1 ILE A 83 -5.977 8.929 11.893 1.00 0.00 C ATOM 1272 CG2 ILE A 83 -6.471 6.598 11.106 1.00 0.00 C ATOM 1273 CD1 ILE A 83 -6.748 9.677 10.828 1.00 0.00 C ATOM 0 H ILE A 83 -2.702 8.208 11.994 1.00 0.00 H new ATOM 0 HA ILE A 83 -4.929 6.850 13.368 1.00 0.00 H new ATOM 0 HB ILE A 83 -4.832 7.807 10.474 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -6.640 8.724 12.733 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -5.177 9.568 12.267 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -7.159 7.009 10.367 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -6.025 5.683 10.717 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -7.015 6.375 12.024 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -7.147 10.600 11.248 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -6.084 9.914 9.997 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -7.570 9.057 10.471 1.00 0.00 H new ATOM 1285 N PHE A 84 -4.475 4.640 12.185 1.00 0.00 N ATOM 1286 CA PHE A 84 -4.015 3.331 11.737 1.00 0.00 C ATOM 1287 C PHE A 84 -4.783 2.880 10.498 1.00 0.00 C ATOM 1288 O PHE A 84 -5.767 2.147 10.598 1.00 0.00 O ATOM 1289 CB PHE A 84 -4.176 2.299 12.855 1.00 0.00 C ATOM 1290 CG PHE A 84 -3.201 2.481 13.983 1.00 0.00 C ATOM 1291 CD1 PHE A 84 -1.860 2.177 13.813 1.00 0.00 C ATOM 1292 CD2 PHE A 84 -3.626 2.955 15.214 1.00 0.00 C ATOM 1293 CE1 PHE A 84 -0.961 2.343 14.850 1.00 0.00 C ATOM 1294 CE2 PHE A 84 -2.732 3.123 16.254 1.00 0.00 C ATOM 1295 CZ PHE A 84 -1.398 2.817 16.072 1.00 0.00 C ATOM 0 H PHE A 84 -5.347 4.622 12.714 1.00 0.00 H new ATOM 0 HA PHE A 84 -2.959 3.414 11.479 1.00 0.00 H new ATOM 0 HB2 PHE A 84 -5.191 2.357 13.249 1.00 0.00 H new ATOM 0 HB3 PHE A 84 -4.053 1.300 12.437 1.00 0.00 H new ATOM 0 HD1 PHE A 84 -1.513 1.806 12.860 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -4.668 3.196 15.362 1.00 0.00 H new ATOM 0 HE1 PHE A 84 0.082 2.102 14.705 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -3.076 3.493 17.208 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.697 2.948 16.883 1.00 0.00 H new ATOM 1305 N ILE A 85 -4.325 3.323 9.332 1.00 0.00 N ATOM 1306 CA ILE A 85 -4.968 2.964 8.074 1.00 0.00 C ATOM 1307 C ILE A 85 -4.762 1.488 7.752 1.00 0.00 C ATOM 1308 O ILE A 85 -3.680 0.940 7.964 1.00 0.00 O ATOM 1309 CB ILE A 85 -4.432 3.813 6.906 1.00 0.00 C ATOM 1310 CG1 ILE A 85 -2.913 3.669 6.798 1.00 0.00 C ATOM 1311 CG2 ILE A 85 -4.820 5.272 7.089 1.00 0.00 C ATOM 1312 CD1 ILE A 85 -2.346 4.203 5.500 1.00 0.00 C ATOM 0 H ILE A 85 -3.512 3.931 9.232 1.00 0.00 H new ATOM 0 HA ILE A 85 -6.033 3.161 8.197 1.00 0.00 H new ATOM 0 HB ILE A 85 -4.879 3.453 5.979 1.00 0.00 H new ATOM 0 HG12 ILE A 85 -2.446 4.193 7.632 1.00 0.00 H new ATOM 0 HG13 ILE A 85 -2.648 2.616 6.895 1.00 0.00 H new ATOM 0 HG21 ILE A 85 -4.434 5.859 6.255 1.00 0.00 H new ATOM 0 HG22 ILE A 85 -5.906 5.358 7.121 1.00 0.00 H new ATOM 0 HG23 ILE A 85 -4.399 5.646 8.022 1.00 0.00 H new ATOM 0 HD11 ILE A 85 -1.264 4.068 5.493 1.00 0.00 H new ATOM 0 HD12 ILE A 85 -2.785 3.662 4.661 1.00 0.00 H new ATOM 0 HD13 ILE A 85 -2.580 5.264 5.410 1.00 0.00 H new ATOM 1324 N LYS A 86 -5.806 0.849 7.236 1.00 0.00 N ATOM 1325 CA LYS A 86 -5.740 -0.564 6.880 1.00 0.00 C ATOM 1326 C LYS A 86 -6.270 -0.795 5.469 1.00 0.00 C ATOM 1327 O LYS A 86 -6.937 0.067 4.897 1.00 0.00 O ATOM 1328 CB LYS A 86 -6.541 -1.400 7.881 1.00 0.00 C ATOM 1329 CG LYS A 86 -8.020 -1.055 7.915 1.00 0.00 C ATOM 1330 CD LYS A 86 -8.801 -2.034 8.776 1.00 0.00 C ATOM 1331 CE LYS A 86 -10.060 -1.396 9.344 1.00 0.00 C ATOM 1332 NZ LYS A 86 -10.420 -1.966 10.671 1.00 0.00 N ATOM 0 H LYS A 86 -6.709 1.287 7.055 1.00 0.00 H new ATOM 0 HA LYS A 86 -4.695 -0.873 6.911 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -6.428 -2.455 7.633 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -6.121 -1.260 8.877 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -8.150 -0.044 8.302 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -8.420 -1.062 6.901 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -9.071 -2.907 8.182 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -8.170 -2.386 9.592 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -9.911 -0.320 9.439 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -10.887 -1.543 8.649 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -11.283 -1.505 11.024 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -10.587 -2.988 10.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -9.642 -1.803 11.341 1.00 0.00 H new ATOM 1346 N ASP A 87 -5.969 -1.963 4.913 1.00 0.00 N ATOM 1347 CA ASP A 87 -6.418 -2.309 3.569 1.00 0.00 C ATOM 1348 C ASP A 87 -7.940 -2.380 3.506 1.00 0.00 C ATOM 1349 O ASP A 87 -8.527 -2.384 2.424 1.00 0.00 O ATOM 1350 CB ASP A 87 -5.813 -3.645 3.135 1.00 0.00 C ATOM 1351 CG ASP A 87 -5.701 -4.630 4.282 1.00 0.00 C ATOM 1352 OD1 ASP A 87 -6.749 -4.991 4.858 1.00 0.00 O ATOM 1353 OD2 ASP A 87 -4.566 -5.041 4.602 1.00 0.00 O ATOM 0 H ASP A 87 -5.416 -2.687 5.372 1.00 0.00 H new ATOM 0 HA ASP A 87 -6.081 -1.528 2.887 1.00 0.00 H new ATOM 0 HB2 ASP A 87 -6.427 -4.079 2.346 1.00 0.00 H new ATOM 0 HB3 ASP A 87 -4.824 -3.472 2.711 1.00 0.00 H new ATOM 1358 N SER A 88 -8.574 -2.438 4.673 1.00 0.00 N ATOM 1359 CA SER A 88 -10.028 -2.515 4.750 1.00 0.00 C ATOM 1360 C SER A 88 -10.667 -1.215 4.269 1.00 0.00 C ATOM 1361 O SER A 88 -11.737 -1.224 3.663 1.00 0.00 O ATOM 1362 CB SER A 88 -10.469 -2.813 6.184 1.00 0.00 C ATOM 1363 OG SER A 88 -11.860 -3.075 6.246 1.00 0.00 O ATOM 0 H SER A 88 -8.103 -2.433 5.578 1.00 0.00 H new ATOM 0 HA SER A 88 -10.359 -3.325 4.100 1.00 0.00 H new ATOM 0 HB2 SER A 88 -9.917 -3.671 6.567 1.00 0.00 H new ATOM 0 HB3 SER A 88 -10.226 -1.966 6.826 1.00 0.00 H new ATOM 0 HG SER A 88 -12.116 -3.264 7.173 1.00 0.00 H new ATOM 1369 N ASN A 89 -10.001 -0.099 4.545 1.00 0.00 N ATOM 1370 CA ASN A 89 -10.503 1.210 4.142 1.00 0.00 C ATOM 1371 C ASN A 89 -9.631 1.812 3.044 1.00 0.00 C ATOM 1372 O ASN A 89 -8.404 1.796 3.133 1.00 0.00 O ATOM 1373 CB ASN A 89 -10.551 2.154 5.345 1.00 0.00 C ATOM 1374 CG ASN A 89 -9.213 2.260 6.051 1.00 0.00 C ATOM 1375 OD1 ASN A 89 -8.283 2.892 5.550 1.00 0.00 O ATOM 1376 ND2 ASN A 89 -9.110 1.639 7.221 1.00 0.00 N ATOM 0 H ASN A 89 -9.113 -0.074 5.046 1.00 0.00 H new ATOM 0 HA ASN A 89 -11.512 1.080 3.751 1.00 0.00 H new ATOM 0 HB2 ASN A 89 -10.863 3.144 5.014 1.00 0.00 H new ATOM 0 HB3 ASN A 89 -11.304 1.802 6.050 1.00 0.00 H new ATOM 0 HD21 ASN A 89 -8.234 1.675 7.742 1.00 0.00 H new ATOM 0 HD22 ASN A 89 -9.907 1.127 7.598 1.00 0.00 H new ATOM 1383 N SER A 90 -10.275 2.343 2.010 1.00 0.00 N ATOM 1384 CA SER A 90 -9.559 2.948 0.892 1.00 0.00 C ATOM 1385 C SER A 90 -8.817 4.205 1.339 1.00 0.00 C ATOM 1386 O SER A 90 -8.954 4.648 2.480 1.00 0.00 O ATOM 1387 CB SER A 90 -10.531 3.291 -0.238 1.00 0.00 C ATOM 1388 OG SER A 90 -9.871 3.306 -1.492 1.00 0.00 O ATOM 0 H SER A 90 -11.291 2.367 1.923 1.00 0.00 H new ATOM 0 HA SER A 90 -8.829 2.226 0.527 1.00 0.00 H new ATOM 0 HB2 SER A 90 -11.341 2.562 -0.259 1.00 0.00 H new ATOM 0 HB3 SER A 90 -10.983 4.265 -0.050 1.00 0.00 H new ATOM 0 HG SER A 90 -10.514 3.526 -2.198 1.00 0.00 H new ATOM 1394 N LEU A 91 -8.032 4.774 0.431 1.00 0.00 N ATOM 1395 CA LEU A 91 -7.268 5.980 0.730 1.00 0.00 C ATOM 1396 C LEU A 91 -8.127 7.228 0.551 1.00 0.00 C ATOM 1397 O LEU A 91 -8.379 7.961 1.507 1.00 0.00 O ATOM 1398 CB LEU A 91 -6.035 6.063 -0.172 1.00 0.00 C ATOM 1399 CG LEU A 91 -5.066 4.882 -0.094 1.00 0.00 C ATOM 1400 CD1 LEU A 91 -4.440 4.614 -1.454 1.00 0.00 C ATOM 1401 CD2 LEU A 91 -3.988 5.145 0.948 1.00 0.00 C ATOM 0 H LEU A 91 -7.908 4.420 -0.518 1.00 0.00 H new ATOM 0 HA LEU A 91 -6.947 5.928 1.770 1.00 0.00 H new ATOM 0 HB2 LEU A 91 -6.371 6.164 -1.204 1.00 0.00 H new ATOM 0 HB3 LEU A 91 -5.488 6.973 0.076 1.00 0.00 H new ATOM 0 HG LEU A 91 -5.626 3.997 0.206 1.00 0.00 H new ATOM 0 HD11 LEU A 91 -3.754 3.771 -1.379 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -5.223 4.381 -2.176 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -3.894 5.498 -1.784 1.00 0.00 H new ATOM 0 HD21 LEU A 91 -3.307 4.295 0.990 1.00 0.00 H new ATOM 0 HD22 LEU A 91 -3.431 6.042 0.677 1.00 0.00 H new ATOM 0 HD23 LEU A 91 -4.452 5.287 1.924 1.00 0.00 H new ATOM 1413 N ALA A 92 -8.575 7.460 -0.678 1.00 0.00 N ATOM 1414 CA ALA A 92 -9.410 8.616 -0.981 1.00 0.00 C ATOM 1415 C ALA A 92 -10.412 8.878 0.139 1.00 0.00 C ATOM 1416 O ALA A 92 -10.680 10.028 0.488 1.00 0.00 O ATOM 1417 CB ALA A 92 -10.134 8.413 -2.303 1.00 0.00 C ATOM 0 H ALA A 92 -8.374 6.863 -1.480 1.00 0.00 H new ATOM 0 HA ALA A 92 -8.762 9.489 -1.065 1.00 0.00 H new ATOM 0 HB1 ALA A 92 -10.754 9.284 -2.516 1.00 0.00 H new ATOM 0 HB2 ALA A 92 -9.404 8.283 -3.102 1.00 0.00 H new ATOM 0 HB3 ALA A 92 -10.764 7.526 -2.240 1.00 0.00 H new ATOM 1423 N TYR A 93 -10.963 7.805 0.696 1.00 0.00 N ATOM 1424 CA TYR A 93 -11.938 7.920 1.774 1.00 0.00 C ATOM 1425 C TYR A 93 -11.396 8.782 2.910 1.00 0.00 C ATOM 1426 O TYR A 93 -12.097 9.644 3.439 1.00 0.00 O ATOM 1427 CB TYR A 93 -12.309 6.533 2.303 1.00 0.00 C ATOM 1428 CG TYR A 93 -13.167 6.570 3.548 1.00 0.00 C ATOM 1429 CD1 TYR A 93 -12.606 6.826 4.793 1.00 0.00 C ATOM 1430 CD2 TYR A 93 -14.536 6.348 3.479 1.00 0.00 C ATOM 1431 CE1 TYR A 93 -13.385 6.860 5.934 1.00 0.00 C ATOM 1432 CE2 TYR A 93 -15.323 6.382 4.614 1.00 0.00 C ATOM 1433 CZ TYR A 93 -14.743 6.637 5.839 1.00 0.00 C ATOM 1434 OH TYR A 93 -15.523 6.670 6.972 1.00 0.00 O ATOM 0 H TYR A 93 -10.751 6.846 0.419 1.00 0.00 H new ATOM 0 HA TYR A 93 -12.831 8.400 1.373 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -12.838 5.985 1.523 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -11.395 5.979 2.518 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -11.543 7.001 4.870 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -14.993 6.145 2.522 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -12.933 7.060 6.894 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -16.387 6.210 4.542 1.00 0.00 H new ATOM 0 HH TYR A 93 -16.457 6.494 6.732 1.00 0.00 H new ATOM 1444 N TYR A 94 -10.143 8.542 3.279 1.00 0.00 N ATOM 1445 CA TYR A 94 -9.506 9.294 4.353 1.00 0.00 C ATOM 1446 C TYR A 94 -9.200 10.722 3.912 1.00 0.00 C ATOM 1447 O TYR A 94 -8.711 11.535 4.695 1.00 0.00 O ATOM 1448 CB TYR A 94 -8.217 8.599 4.796 1.00 0.00 C ATOM 1449 CG TYR A 94 -8.438 7.507 5.818 1.00 0.00 C ATOM 1450 CD1 TYR A 94 -9.192 6.381 5.508 1.00 0.00 C ATOM 1451 CD2 TYR A 94 -7.896 7.601 7.093 1.00 0.00 C ATOM 1452 CE1 TYR A 94 -9.397 5.381 6.438 1.00 0.00 C ATOM 1453 CE2 TYR A 94 -8.095 6.605 8.030 1.00 0.00 C ATOM 1454 CZ TYR A 94 -8.847 5.497 7.697 1.00 0.00 C ATOM 1455 OH TYR A 94 -9.049 4.503 8.628 1.00 0.00 O ATOM 0 H TYR A 94 -9.548 7.833 2.850 1.00 0.00 H new ATOM 0 HA TYR A 94 -10.198 9.333 5.194 1.00 0.00 H new ATOM 0 HB2 TYR A 94 -7.725 8.173 3.922 1.00 0.00 H new ATOM 0 HB3 TYR A 94 -7.538 9.343 5.213 1.00 0.00 H new ATOM 0 HD1 TYR A 94 -9.625 6.287 4.523 1.00 0.00 H new ATOM 0 HD2 TYR A 94 -7.309 8.468 7.357 1.00 0.00 H new ATOM 0 HE1 TYR A 94 -9.985 4.513 6.180 1.00 0.00 H new ATOM 0 HE2 TYR A 94 -7.665 6.693 9.017 1.00 0.00 H new ATOM 0 HH TYR A 94 -8.593 4.739 9.463 1.00 0.00 H new ATOM 1465 N ASN A 95 -9.495 11.020 2.650 1.00 0.00 N ATOM 1466 CA ASN A 95 -9.253 12.350 2.103 1.00 0.00 C ATOM 1467 C ASN A 95 -7.762 12.676 2.105 1.00 0.00 C ATOM 1468 O ASN A 95 -7.365 13.809 2.374 1.00 0.00 O ATOM 1469 CB ASN A 95 -10.017 13.403 2.907 1.00 0.00 C ATOM 1470 CG ASN A 95 -11.438 13.590 2.412 1.00 0.00 C ATOM 1471 OD1 ASN A 95 -11.840 14.695 2.048 1.00 0.00 O ATOM 1472 ND2 ASN A 95 -12.207 12.506 2.397 1.00 0.00 N ATOM 0 H ASN A 95 -9.901 10.359 1.988 1.00 0.00 H new ATOM 0 HA ASN A 95 -9.609 12.361 1.073 1.00 0.00 H new ATOM 0 HB2 ASN A 95 -10.036 13.111 3.957 1.00 0.00 H new ATOM 0 HB3 ASN A 95 -9.487 14.354 2.851 1.00 0.00 H new ATOM 0 HD21 ASN A 95 -13.173 12.570 2.075 1.00 0.00 H new ATOM 0 HD22 ASN A 95 -11.832 11.610 2.708 1.00 0.00 H new ATOM 1479 N MET A 96 -6.943 11.674 1.802 1.00 0.00 N ATOM 1480 CA MET A 96 -5.496 11.855 1.768 1.00 0.00 C ATOM 1481 C MET A 96 -5.092 12.790 0.632 1.00 0.00 C ATOM 1482 O MET A 96 -5.791 12.896 -0.375 1.00 0.00 O ATOM 1483 CB MET A 96 -4.796 10.505 1.605 1.00 0.00 C ATOM 1484 CG MET A 96 -4.697 9.712 2.898 1.00 0.00 C ATOM 1485 SD MET A 96 -3.715 8.210 2.719 1.00 0.00 S ATOM 1486 CE MET A 96 -4.235 7.291 4.166 1.00 0.00 C ATOM 0 H MET A 96 -7.256 10.730 1.577 1.00 0.00 H new ATOM 0 HA MET A 96 -5.189 12.304 2.712 1.00 0.00 H new ATOM 0 HB2 MET A 96 -5.335 9.913 0.865 1.00 0.00 H new ATOM 0 HB3 MET A 96 -3.793 10.670 1.212 1.00 0.00 H new ATOM 0 HG2 MET A 96 -4.255 10.340 3.672 1.00 0.00 H new ATOM 0 HG3 MET A 96 -5.699 9.448 3.235 1.00 0.00 H new ATOM 0 HE1 MET A 96 -3.433 7.291 4.904 1.00 0.00 H new ATOM 0 HE2 MET A 96 -5.122 7.758 4.594 1.00 0.00 H new ATOM 0 HE3 MET A 96 -4.467 6.265 3.881 1.00 0.00 H new ATOM 1496 N ALA A 97 -3.961 13.467 0.803 1.00 0.00 N ATOM 1497 CA ALA A 97 -3.464 14.391 -0.209 1.00 0.00 C ATOM 1498 C ALA A 97 -2.083 13.975 -0.702 1.00 0.00 C ATOM 1499 O ALA A 97 -1.407 13.163 -0.071 1.00 0.00 O ATOM 1500 CB ALA A 97 -3.424 15.808 0.345 1.00 0.00 C ATOM 0 H ALA A 97 -3.372 13.393 1.632 1.00 0.00 H new ATOM 0 HA ALA A 97 -4.147 14.363 -1.058 1.00 0.00 H new ATOM 0 HB1 ALA A 97 -3.051 16.488 -0.421 1.00 0.00 H new ATOM 0 HB2 ALA A 97 -4.428 16.111 0.641 1.00 0.00 H new ATOM 0 HB3 ALA A 97 -2.764 15.841 1.212 1.00 0.00 H new ATOM 1506 N SER A 98 -1.670 14.536 -1.834 1.00 0.00 N ATOM 1507 CA SER A 98 -0.370 14.219 -2.415 1.00 0.00 C ATOM 1508 C SER A 98 0.756 14.547 -1.439 1.00 0.00 C ATOM 1509 O SER A 98 0.524 15.130 -0.380 1.00 0.00 O ATOM 1510 CB SER A 98 -0.169 14.990 -3.721 1.00 0.00 C ATOM 1511 OG SER A 98 -0.104 16.385 -3.484 1.00 0.00 O ATOM 0 H SER A 98 -2.217 15.212 -2.367 1.00 0.00 H new ATOM 0 HA SER A 98 -0.345 13.150 -2.625 1.00 0.00 H new ATOM 0 HB2 SER A 98 0.749 14.657 -4.206 1.00 0.00 H new ATOM 0 HB3 SER A 98 -0.989 14.772 -4.406 1.00 0.00 H new ATOM 0 HG SER A 98 0.026 16.855 -4.334 1.00 0.00 H new ATOM 1517 N GLY A 99 1.977 14.168 -1.804 1.00 0.00 N ATOM 1518 CA GLY A 99 3.121 14.430 -0.951 1.00 0.00 C ATOM 1519 C GLY A 99 2.876 14.023 0.488 1.00 0.00 C ATOM 1520 O GLY A 99 3.249 14.741 1.416 1.00 0.00 O ATOM 0 H GLY A 99 2.194 13.684 -2.675 1.00 0.00 H new ATOM 0 HA2 GLY A 99 3.988 13.892 -1.335 1.00 0.00 H new ATOM 0 HA3 GLY A 99 3.363 15.492 -0.989 1.00 0.00 H new ATOM 1524 N ALA A 100 2.246 12.868 0.676 1.00 0.00 N ATOM 1525 CA ALA A 100 1.952 12.366 2.013 1.00 0.00 C ATOM 1526 C ALA A 100 3.102 11.518 2.546 1.00 0.00 C ATOM 1527 O ALA A 100 4.050 11.214 1.822 1.00 0.00 O ATOM 1528 CB ALA A 100 0.660 11.562 2.003 1.00 0.00 C ATOM 0 H ALA A 100 1.929 12.262 -0.081 1.00 0.00 H new ATOM 0 HA ALA A 100 1.829 13.222 2.677 1.00 0.00 H new ATOM 0 HB1 ALA A 100 0.453 11.193 3.008 1.00 0.00 H new ATOM 0 HB2 ALA A 100 -0.162 12.198 1.673 1.00 0.00 H new ATOM 0 HB3 ALA A 100 0.762 10.718 1.321 1.00 0.00 H new ATOM 1534 N VAL A 101 3.011 11.139 3.817 1.00 0.00 N ATOM 1535 CA VAL A 101 4.044 10.325 4.447 1.00 0.00 C ATOM 1536 C VAL A 101 3.433 9.302 5.399 1.00 0.00 C ATOM 1537 O VAL A 101 2.860 9.662 6.428 1.00 0.00 O ATOM 1538 CB VAL A 101 5.049 11.196 5.224 1.00 0.00 C ATOM 1539 CG1 VAL A 101 4.327 12.067 6.241 1.00 0.00 C ATOM 1540 CG2 VAL A 101 6.096 10.325 5.902 1.00 0.00 C ATOM 0 H VAL A 101 2.233 11.382 4.430 1.00 0.00 H new ATOM 0 HA VAL A 101 4.569 9.804 3.646 1.00 0.00 H new ATOM 0 HB VAL A 101 5.558 11.851 4.517 1.00 0.00 H new ATOM 0 HG11 VAL A 101 5.053 12.675 6.780 1.00 0.00 H new ATOM 0 HG12 VAL A 101 3.620 12.718 5.726 1.00 0.00 H new ATOM 0 HG13 VAL A 101 3.790 11.433 6.946 1.00 0.00 H new ATOM 0 HG21 VAL A 101 6.798 10.957 6.446 1.00 0.00 H new ATOM 0 HG22 VAL A 101 5.607 9.643 6.598 1.00 0.00 H new ATOM 0 HG23 VAL A 101 6.634 9.750 5.148 1.00 0.00 H new ATOM 1550 N ILE A 102 3.560 8.027 5.048 1.00 0.00 N ATOM 1551 CA ILE A 102 3.021 6.952 5.872 1.00 0.00 C ATOM 1552 C ILE A 102 4.086 6.392 6.809 1.00 0.00 C ATOM 1553 O ILE A 102 5.067 5.794 6.365 1.00 0.00 O ATOM 1554 CB ILE A 102 2.460 5.807 5.008 1.00 0.00 C ATOM 1555 CG1 ILE A 102 1.380 6.335 4.062 1.00 0.00 C ATOM 1556 CG2 ILE A 102 1.904 4.700 5.891 1.00 0.00 C ATOM 1557 CD1 ILE A 102 0.172 6.898 4.779 1.00 0.00 C ATOM 0 H ILE A 102 4.031 7.713 4.199 1.00 0.00 H new ATOM 0 HA ILE A 102 2.211 7.382 6.461 1.00 0.00 H new ATOM 0 HB ILE A 102 3.271 5.393 4.408 1.00 0.00 H new ATOM 0 HG12 ILE A 102 1.811 7.110 3.428 1.00 0.00 H new ATOM 0 HG13 ILE A 102 1.058 5.528 3.404 1.00 0.00 H new ATOM 0 HG21 ILE A 102 1.511 3.898 5.266 1.00 0.00 H new ATOM 0 HG22 ILE A 102 2.698 4.308 6.527 1.00 0.00 H new ATOM 0 HG23 ILE A 102 1.104 5.099 6.514 1.00 0.00 H new ATOM 0 HD11 ILE A 102 -0.553 7.254 4.047 1.00 0.00 H new ATOM 0 HD12 ILE A 102 -0.283 6.120 5.391 1.00 0.00 H new ATOM 0 HD13 ILE A 102 0.481 7.727 5.416 1.00 0.00 H new ATOM 1569 N HIS A 103 3.885 6.587 8.108 1.00 0.00 N ATOM 1570 CA HIS A 103 4.827 6.099 9.110 1.00 0.00 C ATOM 1571 C HIS A 103 4.657 4.599 9.331 1.00 0.00 C ATOM 1572 O HIS A 103 3.538 4.108 9.491 1.00 0.00 O ATOM 1573 CB HIS A 103 4.634 6.846 10.429 1.00 0.00 C ATOM 1574 CG HIS A 103 4.829 8.327 10.314 1.00 0.00 C ATOM 1575 ND1 HIS A 103 5.822 9.010 10.982 1.00 0.00 N ATOM 1576 CD2 HIS A 103 4.151 9.256 9.600 1.00 0.00 C ATOM 1577 CE1 HIS A 103 5.746 10.295 10.686 1.00 0.00 C ATOM 1578 NE2 HIS A 103 4.740 10.471 9.849 1.00 0.00 N ATOM 0 H HIS A 103 3.078 7.079 8.492 1.00 0.00 H new ATOM 0 HA HIS A 103 5.837 6.282 8.743 1.00 0.00 H new ATOM 0 HB2 HIS A 103 3.630 6.648 10.805 1.00 0.00 H new ATOM 0 HB3 HIS A 103 5.334 6.452 11.166 1.00 0.00 H new ATOM 0 HD2 HIS A 103 3.304 9.075 8.955 1.00 0.00 H new ATOM 0 HE1 HIS A 103 6.396 11.070 11.064 1.00 0.00 H new ATOM 0 HE2 HIS A 103 4.448 11.364 9.452 1.00 0.00 H new ATOM 1587 N LEU A 104 5.771 3.877 9.337 1.00 0.00 N ATOM 1588 CA LEU A 104 5.745 2.432 9.538 1.00 0.00 C ATOM 1589 C LEU A 104 6.107 2.075 10.976 1.00 0.00 C ATOM 1590 O LEU A 104 7.040 2.637 11.549 1.00 0.00 O ATOM 1591 CB LEU A 104 6.712 1.745 8.571 1.00 0.00 C ATOM 1592 CG LEU A 104 6.793 0.222 8.672 1.00 0.00 C ATOM 1593 CD1 LEU A 104 5.498 -0.415 8.193 1.00 0.00 C ATOM 1594 CD2 LEU A 104 7.976 -0.303 7.872 1.00 0.00 C ATOM 0 H LEU A 104 6.704 4.268 9.205 1.00 0.00 H new ATOM 0 HA LEU A 104 4.732 2.081 9.340 1.00 0.00 H new ATOM 0 HB2 LEU A 104 6.423 2.007 7.553 1.00 0.00 H new ATOM 0 HB3 LEU A 104 7.709 2.153 8.735 1.00 0.00 H new ATOM 0 HG LEU A 104 6.940 -0.046 9.718 1.00 0.00 H new ATOM 0 HD11 LEU A 104 5.575 -1.499 8.272 1.00 0.00 H new ATOM 0 HD12 LEU A 104 4.670 -0.064 8.809 1.00 0.00 H new ATOM 0 HD13 LEU A 104 5.319 -0.139 7.154 1.00 0.00 H new ATOM 0 HD21 LEU A 104 8.018 -1.389 7.955 1.00 0.00 H new ATOM 0 HD22 LEU A 104 7.860 -0.024 6.825 1.00 0.00 H new ATOM 0 HD23 LEU A 104 8.899 0.127 8.262 1.00 0.00 H new ATOM 1606 N ALA A 105 5.364 1.136 11.552 1.00 0.00 N ATOM 1607 CA ALA A 105 5.610 0.701 12.921 1.00 0.00 C ATOM 1608 C ALA A 105 5.318 -0.787 13.085 1.00 0.00 C ATOM 1609 O ALA A 105 4.787 -1.430 12.179 1.00 0.00 O ATOM 1610 CB ALA A 105 4.768 1.516 13.893 1.00 0.00 C ATOM 0 H ALA A 105 4.587 0.662 11.092 1.00 0.00 H new ATOM 0 HA ALA A 105 6.664 0.865 13.144 1.00 0.00 H new ATOM 0 HB1 ALA A 105 4.962 1.181 14.912 1.00 0.00 H new ATOM 0 HB2 ALA A 105 5.027 2.571 13.803 1.00 0.00 H new ATOM 0 HB3 ALA A 105 3.712 1.381 13.661 1.00 0.00 H new ATOM 1616 N LEU A 106 5.669 -1.329 14.246 1.00 0.00 N ATOM 1617 CA LEU A 106 5.445 -2.742 14.529 1.00 0.00 C ATOM 1618 C LEU A 106 3.994 -2.995 14.927 1.00 0.00 C ATOM 1619 O LEU A 106 3.345 -2.139 15.526 1.00 0.00 O ATOM 1620 CB LEU A 106 6.381 -3.214 15.644 1.00 0.00 C ATOM 1621 CG LEU A 106 7.720 -3.799 15.194 1.00 0.00 C ATOM 1622 CD1 LEU A 106 8.571 -4.173 16.397 1.00 0.00 C ATOM 1623 CD2 LEU A 106 7.498 -5.010 14.298 1.00 0.00 C ATOM 0 H LEU A 106 6.110 -0.811 15.006 1.00 0.00 H new ATOM 0 HA LEU A 106 5.657 -3.307 13.621 1.00 0.00 H new ATOM 0 HB2 LEU A 106 6.580 -2.371 16.305 1.00 0.00 H new ATOM 0 HB3 LEU A 106 5.859 -3.966 16.235 1.00 0.00 H new ATOM 0 HG LEU A 106 8.252 -3.040 14.621 1.00 0.00 H new ATOM 0 HD11 LEU A 106 9.520 -4.588 16.057 1.00 0.00 H new ATOM 0 HD12 LEU A 106 8.759 -3.285 17.000 1.00 0.00 H new ATOM 0 HD13 LEU A 106 8.045 -4.915 16.998 1.00 0.00 H new ATOM 0 HD21 LEU A 106 8.461 -5.414 13.987 1.00 0.00 H new ATOM 0 HD22 LEU A 106 6.945 -5.772 14.847 1.00 0.00 H new ATOM 0 HD23 LEU A 106 6.928 -4.712 13.418 1.00 0.00 H new ATOM 1635 N LYS A 107 3.492 -4.179 14.590 1.00 0.00 N ATOM 1636 CA LYS A 107 2.119 -4.548 14.914 1.00 0.00 C ATOM 1637 C LYS A 107 1.910 -4.592 16.424 1.00 0.00 C ATOM 1638 O LYS A 107 2.614 -5.307 17.136 1.00 0.00 O ATOM 1639 CB LYS A 107 1.776 -5.907 14.300 1.00 0.00 C ATOM 1640 CG LYS A 107 0.291 -6.225 14.318 1.00 0.00 C ATOM 1641 CD LYS A 107 -0.001 -7.559 13.652 1.00 0.00 C ATOM 1642 CE LYS A 107 -1.476 -7.919 13.749 1.00 0.00 C ATOM 1643 NZ LYS A 107 -2.314 -7.070 12.857 1.00 0.00 N ATOM 0 H LYS A 107 4.016 -4.899 14.093 1.00 0.00 H new ATOM 0 HA LYS A 107 1.457 -3.790 14.495 1.00 0.00 H new ATOM 0 HB2 LYS A 107 2.132 -5.931 13.270 1.00 0.00 H new ATOM 0 HB3 LYS A 107 2.313 -6.687 14.841 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -0.065 -6.246 15.348 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -0.258 -5.434 13.807 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.296 -7.517 12.604 1.00 0.00 H new ATOM 0 HD3 LYS A 107 0.597 -8.340 14.122 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -1.612 -8.968 13.485 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -1.811 -7.804 14.780 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -3.310 -7.358 12.939 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -2.217 -6.073 13.136 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -2.000 -7.186 11.872 1.00 0.00 H new ATOM 1657 N GLU A 108 0.936 -3.826 16.905 1.00 0.00 N ATOM 1658 CA GLU A 108 0.635 -3.780 18.331 1.00 0.00 C ATOM 1659 C GLU A 108 -0.240 -4.962 18.741 1.00 0.00 C ATOM 1660 O GLU A 108 -1.211 -4.802 19.480 1.00 0.00 O ATOM 1661 CB GLU A 108 -0.066 -2.466 18.685 1.00 0.00 C ATOM 1662 CG GLU A 108 0.857 -1.260 18.666 1.00 0.00 C ATOM 1663 CD GLU A 108 2.074 -1.442 19.552 1.00 0.00 C ATOM 1664 OE1 GLU A 108 3.071 -2.028 19.080 1.00 0.00 O ATOM 1665 OE2 GLU A 108 2.030 -0.998 20.718 1.00 0.00 O ATOM 0 H GLU A 108 0.342 -3.229 16.329 1.00 0.00 H new ATOM 0 HA GLU A 108 1.577 -3.840 18.877 1.00 0.00 H new ATOM 0 HB2 GLU A 108 -0.883 -2.299 17.983 1.00 0.00 H new ATOM 0 HB3 GLU A 108 -0.511 -2.557 19.676 1.00 0.00 H new ATOM 0 HG2 GLU A 108 1.182 -1.072 17.643 1.00 0.00 H new ATOM 0 HG3 GLU A 108 0.304 -0.379 18.991 1.00 0.00 H new ATOM 1672 N ARG A 109 0.113 -6.147 18.255 1.00 0.00 N ATOM 1673 CA ARG A 109 -0.640 -7.356 18.568 1.00 0.00 C ATOM 1674 C ARG A 109 -2.133 -7.056 18.667 1.00 0.00 C ATOM 1675 O ARG A 109 -2.815 -7.541 19.570 1.00 0.00 O ATOM 1676 CB ARG A 109 -0.143 -7.965 19.880 1.00 0.00 C ATOM 1677 CG ARG A 109 1.281 -8.490 19.807 1.00 0.00 C ATOM 1678 CD ARG A 109 1.550 -9.525 20.889 1.00 0.00 C ATOM 1679 NE ARG A 109 0.958 -10.820 20.566 1.00 0.00 N ATOM 1680 CZ ARG A 109 1.411 -11.975 21.042 1.00 0.00 C ATOM 1681 NH1 ARG A 109 2.456 -11.995 21.858 1.00 0.00 N ATOM 1682 NH2 ARG A 109 0.818 -13.112 20.703 1.00 0.00 N ATOM 0 H ARG A 109 0.915 -6.296 17.643 1.00 0.00 H new ATOM 0 HA ARG A 109 -0.484 -8.071 17.761 1.00 0.00 H new ATOM 0 HB2 ARG A 109 -0.204 -7.212 20.666 1.00 0.00 H new ATOM 0 HB3 ARG A 109 -0.807 -8.780 20.167 1.00 0.00 H new ATOM 0 HG2 ARG A 109 1.457 -8.933 18.827 1.00 0.00 H new ATOM 0 HG3 ARG A 109 1.981 -7.661 19.913 1.00 0.00 H new ATOM 0 HD2 ARG A 109 2.626 -9.641 21.021 1.00 0.00 H new ATOM 0 HD3 ARG A 109 1.149 -9.170 21.838 1.00 0.00 H new ATOM 0 HE ARG A 109 0.152 -10.839 19.941 1.00 0.00 H new ATOM 0 HH11 ARG A 109 2.914 -11.123 22.122 1.00 0.00 H new ATOM 0 HH12 ARG A 109 2.802 -12.883 22.222 1.00 0.00 H new ATOM 0 HH21 ARG A 109 0.013 -13.100 20.076 1.00 0.00 H new ATOM 0 HH22 ARG A 109 1.167 -13.998 21.069 1.00 0.00 H new ATOM 1696 N SER A 110 -2.633 -6.254 17.732 1.00 0.00 N ATOM 1697 CA SER A 110 -4.044 -5.887 17.716 1.00 0.00 C ATOM 1698 C SER A 110 -4.718 -6.373 16.437 1.00 0.00 C ATOM 1699 O SER A 110 -4.785 -5.649 15.444 1.00 0.00 O ATOM 1700 CB SER A 110 -4.199 -4.370 17.843 1.00 0.00 C ATOM 1701 OG SER A 110 -5.536 -3.971 17.593 1.00 0.00 O ATOM 0 H SER A 110 -2.082 -5.846 16.976 1.00 0.00 H new ATOM 0 HA SER A 110 -4.529 -6.368 18.566 1.00 0.00 H new ATOM 0 HB2 SER A 110 -3.903 -4.054 18.843 1.00 0.00 H new ATOM 0 HB3 SER A 110 -3.530 -3.873 17.140 1.00 0.00 H new ATOM 0 HG SER A 110 -5.609 -2.998 17.682 1.00 0.00 H new ATOM 1707 N GLY A 111 -5.217 -7.605 16.469 1.00 0.00 N ATOM 1708 CA GLY A 111 -5.878 -8.168 15.307 1.00 0.00 C ATOM 1709 C GLY A 111 -5.442 -9.592 15.024 1.00 0.00 C ATOM 1710 O GLY A 111 -4.584 -9.844 14.178 1.00 0.00 O ATOM 0 H GLY A 111 -5.175 -8.223 17.279 1.00 0.00 H new ATOM 0 HA2 GLY A 111 -6.957 -8.146 15.460 1.00 0.00 H new ATOM 0 HA3 GLY A 111 -5.667 -7.547 14.436 1.00 0.00 H new ATOM 1714 N PRO A 112 -6.039 -10.552 15.744 1.00 0.00 N ATOM 1715 CA PRO A 112 -5.722 -11.975 15.585 1.00 0.00 C ATOM 1716 C PRO A 112 -6.213 -12.532 14.253 1.00 0.00 C ATOM 1717 O PRO A 112 -7.416 -12.613 14.009 1.00 0.00 O ATOM 1718 CB PRO A 112 -6.465 -12.636 16.748 1.00 0.00 C ATOM 1719 CG PRO A 112 -7.587 -11.707 17.059 1.00 0.00 C ATOM 1720 CD PRO A 112 -7.071 -10.324 16.770 1.00 0.00 C ATOM 0 HA PRO A 112 -4.647 -12.157 15.590 1.00 0.00 H new ATOM 0 HB2 PRO A 112 -6.834 -13.624 16.471 1.00 0.00 H new ATOM 0 HB3 PRO A 112 -5.812 -12.770 17.610 1.00 0.00 H new ATOM 0 HG2 PRO A 112 -8.461 -11.933 16.449 1.00 0.00 H new ATOM 0 HG3 PRO A 112 -7.893 -11.800 18.101 1.00 0.00 H new ATOM 0 HD2 PRO A 112 -7.862 -9.668 16.406 1.00 0.00 H new ATOM 0 HD3 PRO A 112 -6.654 -9.856 17.662 1.00 0.00 H new ATOM 1728 N SER A 113 -5.273 -12.917 13.395 1.00 0.00 N ATOM 1729 CA SER A 113 -5.610 -13.464 12.086 1.00 0.00 C ATOM 1730 C SER A 113 -4.755 -14.688 11.773 1.00 0.00 C ATOM 1731 O SER A 113 -3.822 -15.012 12.508 1.00 0.00 O ATOM 1732 CB SER A 113 -5.418 -12.402 11.001 1.00 0.00 C ATOM 1733 OG SER A 113 -6.442 -11.425 11.057 1.00 0.00 O ATOM 0 H SER A 113 -4.272 -12.860 13.583 1.00 0.00 H new ATOM 0 HA SER A 113 -6.656 -13.768 12.105 1.00 0.00 H new ATOM 0 HB2 SER A 113 -4.447 -11.923 11.125 1.00 0.00 H new ATOM 0 HB3 SER A 113 -5.417 -12.876 10.020 1.00 0.00 H new ATOM 0 HG SER A 113 -6.296 -10.757 10.355 1.00 0.00 H new ATOM 1739 N SER A 114 -5.082 -15.365 10.677 1.00 0.00 N ATOM 1740 CA SER A 114 -4.348 -16.556 10.267 1.00 0.00 C ATOM 1741 C SER A 114 -3.477 -16.266 9.048 1.00 0.00 C ATOM 1742 O SER A 114 -2.253 -16.373 9.106 1.00 0.00 O ATOM 1743 CB SER A 114 -5.318 -17.697 9.954 1.00 0.00 C ATOM 1744 OG SER A 114 -6.025 -18.098 11.115 1.00 0.00 O ATOM 0 H SER A 114 -5.850 -15.109 10.057 1.00 0.00 H new ATOM 0 HA SER A 114 -3.701 -16.854 11.092 1.00 0.00 H new ATOM 0 HB2 SER A 114 -6.024 -17.379 9.187 1.00 0.00 H new ATOM 0 HB3 SER A 114 -4.767 -18.546 9.548 1.00 0.00 H new ATOM 0 HG SER A 114 -6.639 -18.827 10.888 1.00 0.00 H new ATOM 1750 N GLY A 115 -4.120 -15.896 7.944 1.00 0.00 N ATOM 1751 CA GLY A 115 -3.390 -15.596 6.726 1.00 0.00 C ATOM 1752 C GLY A 115 -3.293 -16.790 5.798 1.00 0.00 C ATOM 1753 O GLY A 115 -3.782 -17.874 6.118 1.00 0.00 O ATOM 0 H GLY A 115 -5.133 -15.799 7.872 1.00 0.00 H new ATOM 0 HA2 GLY A 115 -3.881 -14.774 6.205 1.00 0.00 H new ATOM 0 HA3 GLY A 115 -2.386 -15.257 6.982 1.00 0.00 H new TER 1757 GLY A 115