USER MOD reduce.3.24.130724 H: found=0, std=0, add=415, rem=0, adj=8 USER MOD reduce.3.24.130724 removed 0 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 31 SER OG : rot 170:sc= 0.0693 USER MOD Set 1.2: A 39 ASN : amide:sc= -8.16! C(o=-8.3!,f=-4.8!) USER MOD Set 1.3: A 43 THR OG1 : rot -70:sc= -0.241 USER MOD Single : A 2 ASN : amide:sc= 0 K(o=0,f=-1.5!) USER MOD Single : A 5 GLN : amide:sc= 0 K(o=0,f=-1.4!) USER MOD Single : A 7 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= -2.47! C(o=-2.5!,f=-5.3!) USER MOD Single : A 12 GLN : amide:sc= -5.74! C(o=-5.7!,f=-6.3!) USER MOD Single : A 15 MET CE :methyl -150:sc= -0.58 (180deg=-2.69!) USER MOD Single : A 16 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 17 ASN : amide:sc= 0 X(o=0,f=-0.35) USER MOD Single : A 19 LYS NZ :NH3+ 161:sc=-0.00451 (180deg=-0.134) USER MOD Single : A 24 GLN : amide:sc= 0 K(o=0,f=-1.7!) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 27 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 GLN : amide:sc= 0 K(o=0,f=-1.2!) USER MOD Single : A 36 MET CE :methyl -152:sc= -0.464 (180deg=-2.2!) USER MOD Single : A 40 LYS NZ :NH3+ 164:sc= -0.0194 (180deg=-0.401) USER MOD Single : A 45 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 46 MET CE :methyl 134:sc= -0.145 (180deg=-1.02) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 LYS NZ :NH3+ 156:sc= 0 (180deg=-0.602) USER MOD ----------------------------------------------------------------- ATOM 10 N ASN A 2 -8.757 12.964 -0.755 1.00 0.00 N ATOM 11 CA ASN A 2 -9.615 13.408 0.379 1.00 0.00 C ATOM 12 C ASN A 2 -11.060 13.545 -0.101 1.00 0.00 C ATOM 13 O ASN A 2 -11.996 13.334 0.646 1.00 0.00 O ATOM 14 CB ASN A 2 -9.117 14.759 0.896 1.00 0.00 C ATOM 15 CG ASN A 2 -7.699 14.603 1.447 1.00 0.00 C ATOM 16 OD1 ASN A 2 -7.269 13.507 1.748 1.00 0.00 O ATOM 17 ND2 ASN A 2 -6.948 15.661 1.594 1.00 0.00 N ATOM 0 HA ASN A 2 -9.567 12.673 1.182 1.00 0.00 H new ATOM 0 HB2 ASN A 2 -9.127 15.494 0.092 1.00 0.00 H new ATOM 0 HB3 ASN A 2 -9.783 15.130 1.675 1.00 0.00 H new ATOM 0 HD21 ASN A 2 -6.001 15.567 1.961 1.00 0.00 H new ATOM 0 HD22 ASN A 2 -7.308 16.581 1.342 1.00 0.00 H new ATOM 18 N GLU A 3 -11.252 13.898 -1.343 1.00 0.00 N ATOM 19 CA GLU A 3 -12.637 14.047 -1.870 1.00 0.00 C ATOM 20 C GLU A 3 -13.330 12.683 -1.870 1.00 0.00 C ATOM 21 O GLU A 3 -14.496 12.568 -1.547 1.00 0.00 O ATOM 22 CB GLU A 3 -12.585 14.594 -3.298 1.00 0.00 C ATOM 23 CG GLU A 3 -12.053 16.028 -3.276 1.00 0.00 C ATOM 24 CD GLU A 3 -12.131 16.623 -4.684 1.00 0.00 C ATOM 25 OE1 GLU A 3 -12.443 15.883 -5.602 1.00 0.00 O ATOM 26 OE2 GLU A 3 -11.877 17.809 -4.819 1.00 0.00 O ATOM 0 H GLU A 3 -10.509 14.090 -2.015 1.00 0.00 H new ATOM 0 HA GLU A 3 -13.194 14.739 -1.238 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -11.943 13.966 -3.916 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -13.579 14.570 -3.744 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -12.636 16.633 -2.581 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -11.022 16.039 -2.921 1.00 0.00 H new ATOM 27 N ASP A 4 -12.622 11.646 -2.230 1.00 0.00 N ATOM 28 CA ASP A 4 -13.243 10.292 -2.248 1.00 0.00 C ATOM 29 C ASP A 4 -13.756 9.951 -0.847 1.00 0.00 C ATOM 30 O ASP A 4 -14.714 9.221 -0.687 1.00 0.00 O ATOM 31 CB ASP A 4 -12.202 9.256 -2.677 1.00 0.00 C ATOM 32 CG ASP A 4 -11.363 9.821 -3.825 1.00 0.00 C ATOM 33 OD1 ASP A 4 -11.849 10.708 -4.507 1.00 0.00 O ATOM 34 OD2 ASP A 4 -10.248 9.357 -4.003 1.00 0.00 O ATOM 0 H ASP A 4 -11.642 11.679 -2.512 1.00 0.00 H new ATOM 0 HA ASP A 4 -14.074 10.282 -2.954 1.00 0.00 H new ATOM 0 HB2 ASP A 4 -11.559 9.000 -1.835 1.00 0.00 H new ATOM 0 HB3 ASP A 4 -12.696 8.337 -2.992 1.00 0.00 H new ATOM 35 N GLN A 5 -13.127 10.476 0.168 1.00 0.00 N ATOM 36 CA GLN A 5 -13.578 10.185 1.557 1.00 0.00 C ATOM 37 C GLN A 5 -15.020 10.662 1.733 1.00 0.00 C ATOM 38 O GLN A 5 -15.814 10.038 2.408 1.00 0.00 O ATOM 39 CB GLN A 5 -12.674 10.915 2.553 1.00 0.00 C ATOM 40 CG GLN A 5 -11.268 10.313 2.503 1.00 0.00 C ATOM 41 CD GLN A 5 -10.365 11.043 3.499 1.00 0.00 C ATOM 42 OE1 GLN A 5 -10.697 12.116 3.963 1.00 0.00 O ATOM 43 NE2 GLN A 5 -9.230 10.503 3.850 1.00 0.00 N ATOM 0 H GLN A 5 -12.319 11.095 0.095 1.00 0.00 H new ATOM 0 HA GLN A 5 -13.524 9.112 1.739 1.00 0.00 H new ATOM 0 HB2 GLN A 5 -12.635 11.978 2.313 1.00 0.00 H new ATOM 0 HB3 GLN A 5 -13.082 10.830 3.560 1.00 0.00 H new ATOM 0 HG2 GLN A 5 -11.307 9.250 2.742 1.00 0.00 H new ATOM 0 HG3 GLN A 5 -10.860 10.398 1.496 1.00 0.00 H new ATOM 0 HE21 GLN A 5 -8.952 9.602 3.460 1.00 0.00 H new ATOM 0 HE22 GLN A 5 -8.621 10.982 4.514 1.00 0.00 H new ATOM 44 N GLU A 6 -15.367 11.766 1.128 1.00 0.00 N ATOM 45 CA GLU A 6 -16.757 12.282 1.259 1.00 0.00 C ATOM 46 C GLU A 6 -17.742 11.216 0.773 1.00 0.00 C ATOM 47 O GLU A 6 -18.768 10.982 1.378 1.00 0.00 O ATOM 48 CB GLU A 6 -16.915 13.548 0.413 1.00 0.00 C ATOM 49 CG GLU A 6 -16.019 14.651 0.977 1.00 0.00 C ATOM 50 CD GLU A 6 -16.253 15.947 0.198 1.00 0.00 C ATOM 51 OE1 GLU A 6 -16.943 15.896 -0.806 1.00 0.00 O ATOM 52 OE2 GLU A 6 -15.738 16.970 0.620 1.00 0.00 O ATOM 0 H GLU A 6 -14.747 12.332 0.549 1.00 0.00 H new ATOM 0 HA GLU A 6 -16.961 12.518 2.304 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -16.648 13.342 -0.623 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -17.956 13.873 0.415 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -16.236 14.805 2.034 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -14.972 14.356 0.906 1.00 0.00 H new ATOM 53 N MET A 7 -17.433 10.564 -0.316 1.00 0.00 N ATOM 54 CA MET A 7 -18.350 9.512 -0.837 1.00 0.00 C ATOM 55 C MET A 7 -18.470 8.390 0.195 1.00 0.00 C ATOM 56 O MET A 7 -19.485 7.731 0.297 1.00 0.00 O ATOM 57 CB MET A 7 -17.788 8.945 -2.142 1.00 0.00 C ATOM 58 CG MET A 7 -17.878 10.007 -3.240 1.00 0.00 C ATOM 59 SD MET A 7 -17.236 9.328 -4.791 1.00 0.00 S ATOM 60 CE MET A 7 -17.191 10.882 -5.718 1.00 0.00 C ATOM 0 H MET A 7 -16.587 10.715 -0.865 1.00 0.00 H new ATOM 0 HA MET A 7 -19.333 9.945 -1.023 1.00 0.00 H new ATOM 0 HB2 MET A 7 -16.751 8.639 -2.001 1.00 0.00 H new ATOM 0 HB3 MET A 7 -18.346 8.056 -2.435 1.00 0.00 H new ATOM 0 HG2 MET A 7 -18.913 10.324 -3.370 1.00 0.00 H new ATOM 0 HG3 MET A 7 -17.308 10.891 -2.954 1.00 0.00 H new ATOM 0 HE1 MET A 7 -16.818 10.694 -6.725 1.00 0.00 H new ATOM 0 HE2 MET A 7 -18.196 11.301 -5.775 1.00 0.00 H new ATOM 0 HE3 MET A 7 -16.532 11.588 -5.213 1.00 0.00 H new ATOM 61 N CYS A 8 -17.439 8.170 0.965 1.00 0.00 N ATOM 62 CA CYS A 8 -17.493 7.093 1.993 1.00 0.00 C ATOM 63 C CYS A 8 -18.552 7.443 3.039 1.00 0.00 C ATOM 64 O CYS A 8 -19.203 6.579 3.591 1.00 0.00 O ATOM 65 CB CYS A 8 -16.127 6.967 2.670 1.00 0.00 C ATOM 66 SG CYS A 8 -16.180 5.652 3.911 1.00 0.00 S ATOM 0 H CYS A 8 -16.562 8.690 0.926 1.00 0.00 H new ATOM 0 HA CYS A 8 -17.751 6.147 1.518 1.00 0.00 H new ATOM 0 HB2 CYS A 8 -15.361 6.748 1.926 1.00 0.00 H new ATOM 0 HB3 CYS A 8 -15.854 7.912 3.139 1.00 0.00 H new ATOM 67 N HIS A 9 -18.728 8.706 3.314 1.00 0.00 N ATOM 68 CA HIS A 9 -19.745 9.114 4.322 1.00 0.00 C ATOM 69 C HIS A 9 -21.072 8.411 4.019 1.00 0.00 C ATOM 70 O HIS A 9 -21.667 7.790 4.877 1.00 0.00 O ATOM 71 CB HIS A 9 -19.935 10.635 4.260 1.00 0.00 C ATOM 72 CG HIS A 9 -21.203 11.021 4.972 1.00 0.00 C ATOM 73 ND1 HIS A 9 -22.455 10.709 4.469 1.00 0.00 N ATOM 74 CD2 HIS A 9 -21.429 11.692 6.149 1.00 0.00 C ATOM 75 CE1 HIS A 9 -23.371 11.186 5.330 1.00 0.00 C ATOM 76 NE2 HIS A 9 -22.799 11.794 6.373 1.00 0.00 N ATOM 0 H HIS A 9 -18.211 9.473 2.884 1.00 0.00 H new ATOM 0 HA HIS A 9 -19.410 8.832 5.320 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.083 11.136 4.719 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -19.976 10.963 3.221 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.661 12.081 6.801 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.438 11.089 5.195 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.266 12.238 7.164 1.00 0.00 H new ATOM 77 N GLU A 10 -21.543 8.509 2.807 1.00 0.00 N ATOM 78 CA GLU A 10 -22.833 7.852 2.451 1.00 0.00 C ATOM 79 C GLU A 10 -22.757 6.356 2.765 1.00 0.00 C ATOM 80 O GLU A 10 -23.710 5.763 3.230 1.00 0.00 O ATOM 81 CB GLU A 10 -23.109 8.044 0.959 1.00 0.00 C ATOM 82 CG GLU A 10 -23.340 9.528 0.670 1.00 0.00 C ATOM 83 CD GLU A 10 -23.751 9.706 -0.792 1.00 0.00 C ATOM 84 OE1 GLU A 10 -23.701 8.731 -1.524 1.00 0.00 O ATOM 85 OE2 GLU A 10 -24.108 10.813 -1.157 1.00 0.00 O ATOM 0 H GLU A 10 -21.090 9.016 2.046 1.00 0.00 H new ATOM 0 HA GLU A 10 -23.637 8.302 3.033 1.00 0.00 H new ATOM 0 HB2 GLU A 10 -22.268 7.675 0.372 1.00 0.00 H new ATOM 0 HB3 GLU A 10 -23.983 7.464 0.662 1.00 0.00 H new ATOM 0 HG2 GLU A 10 -24.116 9.921 1.327 1.00 0.00 H new ATOM 0 HG3 GLU A 10 -22.432 10.095 0.875 1.00 0.00 H new ATOM 86 N PHE A 11 -21.636 5.736 2.511 1.00 0.00 N ATOM 87 CA PHE A 11 -21.517 4.278 2.793 1.00 0.00 C ATOM 88 C PHE A 11 -21.384 4.053 4.301 1.00 0.00 C ATOM 89 O PHE A 11 -21.360 2.933 4.770 1.00 0.00 O ATOM 90 CB PHE A 11 -20.285 3.712 2.080 1.00 0.00 C ATOM 91 CG PHE A 11 -20.716 2.718 1.024 1.00 0.00 C ATOM 92 CD1 PHE A 11 -21.808 1.872 1.261 1.00 0.00 C ATOM 93 CD2 PHE A 11 -20.025 2.642 -0.192 1.00 0.00 C ATOM 94 CE1 PHE A 11 -22.207 0.953 0.284 1.00 0.00 C ATOM 95 CE2 PHE A 11 -20.425 1.721 -1.168 1.00 0.00 C ATOM 96 CZ PHE A 11 -21.516 0.878 -0.931 1.00 0.00 C ATOM 0 H PHE A 11 -20.801 6.175 2.122 1.00 0.00 H new ATOM 0 HA PHE A 11 -22.410 3.769 2.429 1.00 0.00 H new ATOM 0 HB2 PHE A 11 -19.716 4.520 1.621 1.00 0.00 H new ATOM 0 HB3 PHE A 11 -19.626 3.228 2.801 1.00 0.00 H new ATOM 0 HD1 PHE A 11 -22.342 1.929 2.198 1.00 0.00 H new ATOM 0 HD2 PHE A 11 -19.184 3.294 -0.377 1.00 0.00 H new ATOM 0 HE1 PHE A 11 -23.048 0.301 0.468 1.00 0.00 H new ATOM 0 HE2 PHE A 11 -19.891 1.661 -2.105 1.00 0.00 H new ATOM 0 HZ PHE A 11 -21.825 0.170 -1.685 1.00 0.00 H new ATOM 97 N GLN A 12 -21.303 5.107 5.068 1.00 0.00 N ATOM 98 CA GLN A 12 -21.178 4.943 6.543 1.00 0.00 C ATOM 99 C GLN A 12 -22.533 4.530 7.121 1.00 0.00 C ATOM 100 O GLN A 12 -22.610 3.812 8.098 1.00 0.00 O ATOM 101 CB GLN A 12 -20.732 6.264 7.173 1.00 0.00 C ATOM 102 CG GLN A 12 -19.283 6.553 6.775 1.00 0.00 C ATOM 103 CD GLN A 12 -18.841 7.882 7.390 1.00 0.00 C ATOM 104 OE1 GLN A 12 -19.622 8.561 8.025 1.00 0.00 O ATOM 105 NE2 GLN A 12 -17.610 8.285 7.227 1.00 0.00 N ATOM 0 H GLN A 12 -21.318 6.072 4.737 1.00 0.00 H new ATOM 0 HA GLN A 12 -20.437 4.174 6.762 1.00 0.00 H new ATOM 0 HB2 GLN A 12 -21.380 7.075 6.841 1.00 0.00 H new ATOM 0 HB3 GLN A 12 -20.819 6.210 8.258 1.00 0.00 H new ATOM 0 HG2 GLN A 12 -18.633 5.748 7.117 1.00 0.00 H new ATOM 0 HG3 GLN A 12 -19.194 6.595 5.689 1.00 0.00 H new ATOM 0 HE21 GLN A 12 -16.953 7.715 6.694 1.00 0.00 H new ATOM 0 HE22 GLN A 12 -17.305 9.170 7.633 1.00 0.00 H new ATOM 106 N ALA A 13 -23.604 4.974 6.521 1.00 0.00 N ATOM 107 CA ALA A 13 -24.952 4.603 7.034 1.00 0.00 C ATOM 108 C ALA A 13 -25.254 3.150 6.661 1.00 0.00 C ATOM 109 O ALA A 13 -26.017 2.474 7.321 1.00 0.00 O ATOM 110 CB ALA A 13 -26.007 5.520 6.410 1.00 0.00 C ATOM 0 H ALA A 13 -23.603 5.577 5.698 1.00 0.00 H new ATOM 0 HA ALA A 13 -24.972 4.713 8.118 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -26.993 5.248 6.786 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -25.791 6.555 6.674 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -25.989 5.410 5.326 1.00 0.00 H new ATOM 111 N PHE A 14 -24.656 2.663 5.606 1.00 0.00 N ATOM 112 CA PHE A 14 -24.904 1.254 5.192 1.00 0.00 C ATOM 113 C PHE A 14 -23.984 0.321 5.983 1.00 0.00 C ATOM 114 O PHE A 14 -24.029 -0.884 5.833 1.00 0.00 O ATOM 115 CB PHE A 14 -24.616 1.101 3.697 1.00 0.00 C ATOM 116 CG PHE A 14 -25.619 1.905 2.906 1.00 0.00 C ATOM 117 CD1 PHE A 14 -26.902 1.395 2.678 1.00 0.00 C ATOM 118 CD2 PHE A 14 -25.264 3.161 2.398 1.00 0.00 C ATOM 119 CE1 PHE A 14 -27.832 2.140 1.942 1.00 0.00 C ATOM 120 CE2 PHE A 14 -26.194 3.907 1.662 1.00 0.00 C ATOM 121 CZ PHE A 14 -27.478 3.396 1.435 1.00 0.00 C ATOM 0 H PHE A 14 -24.007 3.181 5.014 1.00 0.00 H new ATOM 0 HA PHE A 14 -25.944 0.997 5.390 1.00 0.00 H new ATOM 0 HB2 PHE A 14 -23.605 1.441 3.474 1.00 0.00 H new ATOM 0 HB3 PHE A 14 -24.670 0.051 3.411 1.00 0.00 H new ATOM 0 HD1 PHE A 14 -27.175 0.426 3.070 1.00 0.00 H new ATOM 0 HD2 PHE A 14 -24.274 3.554 2.574 1.00 0.00 H new ATOM 0 HE1 PHE A 14 -28.822 1.746 1.766 1.00 0.00 H new ATOM 0 HE2 PHE A 14 -25.921 4.876 1.270 1.00 0.00 H new ATOM 0 HZ PHE A 14 -28.195 3.971 0.869 1.00 0.00 H new ATOM 122 N MET A 15 -23.145 0.867 6.822 1.00 0.00 N ATOM 123 CA MET A 15 -22.225 0.007 7.617 1.00 0.00 C ATOM 124 C MET A 15 -22.978 -0.584 8.809 1.00 0.00 C ATOM 125 O MET A 15 -23.659 0.115 9.533 1.00 0.00 O ATOM 126 CB MET A 15 -21.048 0.846 8.120 1.00 0.00 C ATOM 127 CG MET A 15 -19.831 -0.058 8.332 1.00 0.00 C ATOM 128 SD MET A 15 -20.055 -1.027 9.844 1.00 0.00 S ATOM 129 CE MET A 15 -20.258 0.367 10.979 1.00 0.00 C ATOM 0 H MET A 15 -23.058 1.869 6.990 1.00 0.00 H new ATOM 0 HA MET A 15 -21.852 -0.802 6.988 1.00 0.00 H new ATOM 0 HB2 MET A 15 -20.812 1.629 7.400 1.00 0.00 H new ATOM 0 HB3 MET A 15 -21.314 1.341 9.054 1.00 0.00 H new ATOM 0 HG2 MET A 15 -19.705 -0.722 7.477 1.00 0.00 H new ATOM 0 HG3 MET A 15 -18.925 0.544 8.404 1.00 0.00 H new ATOM 0 HE1 MET A 15 -19.890 0.089 11.966 1.00 0.00 H new ATOM 0 HE2 MET A 15 -19.693 1.223 10.609 1.00 0.00 H new ATOM 0 HE3 MET A 15 -21.313 0.631 11.046 1.00 0.00 H new ATOM 130 N LYS A 16 -22.865 -1.868 9.018 1.00 0.00 N ATOM 131 CA LYS A 16 -23.579 -2.501 10.164 1.00 0.00 C ATOM 132 C LYS A 16 -22.687 -3.570 10.799 1.00 0.00 C ATOM 133 O LYS A 16 -21.879 -4.191 10.138 1.00 0.00 O ATOM 134 CB LYS A 16 -24.870 -3.152 9.664 1.00 0.00 C ATOM 135 CG LYS A 16 -25.767 -2.087 9.029 1.00 0.00 C ATOM 136 CD LYS A 16 -27.132 -2.698 8.704 1.00 0.00 C ATOM 137 CE LYS A 16 -28.010 -1.651 8.016 1.00 0.00 C ATOM 138 NZ LYS A 16 -29.407 -1.770 8.517 1.00 0.00 N ATOM 0 H LYS A 16 -22.310 -2.505 8.446 1.00 0.00 H new ATOM 0 HA LYS A 16 -23.816 -1.738 10.906 1.00 0.00 H new ATOM 0 HB2 LYS A 16 -24.639 -3.929 8.936 1.00 0.00 H new ATOM 0 HB3 LYS A 16 -25.390 -3.635 10.491 1.00 0.00 H new ATOM 0 HG2 LYS A 16 -25.887 -1.244 9.710 1.00 0.00 H new ATOM 0 HG3 LYS A 16 -25.304 -1.700 8.121 1.00 0.00 H new ATOM 0 HD2 LYS A 16 -27.009 -3.566 8.057 1.00 0.00 H new ATOM 0 HD3 LYS A 16 -27.613 -3.047 9.618 1.00 0.00 H new ATOM 0 HE2 LYS A 16 -27.625 -0.651 8.214 1.00 0.00 H new ATOM 0 HE3 LYS A 16 -27.986 -1.794 6.936 1.00 0.00 H new ATOM 0 HZ1 LYS A 16 -30.005 -1.059 8.050 1.00 0.00 H new ATOM 0 HZ2 LYS A 16 -29.772 -2.721 8.306 1.00 0.00 H new ATOM 0 HZ3 LYS A 16 -29.422 -1.614 9.545 1.00 0.00 H new ATOM 139 N ASN A 17 -22.831 -3.790 12.078 1.00 0.00 N ATOM 140 CA ASN A 17 -21.995 -4.821 12.756 1.00 0.00 C ATOM 141 C ASN A 17 -20.531 -4.638 12.355 1.00 0.00 C ATOM 142 O ASN A 17 -19.766 -5.582 12.318 1.00 0.00 O ATOM 143 CB ASN A 17 -22.465 -6.215 12.340 1.00 0.00 C ATOM 144 CG ASN A 17 -23.933 -6.398 12.725 1.00 0.00 C ATOM 145 OD1 ASN A 17 -24.335 -6.047 13.817 1.00 0.00 O ATOM 146 ND2 ASN A 17 -24.757 -6.938 11.870 1.00 0.00 N ATOM 0 H ASN A 17 -23.491 -3.300 12.682 1.00 0.00 H new ATOM 0 HA ASN A 17 -22.092 -4.711 13.836 1.00 0.00 H new ATOM 0 HB2 ASN A 17 -22.342 -6.345 11.265 1.00 0.00 H new ATOM 0 HB3 ASN A 17 -21.854 -6.976 12.826 1.00 0.00 H new ATOM 0 HD21 ASN A 17 -25.738 -7.065 12.118 1.00 0.00 H new ATOM 0 HD22 ASN A 17 -24.420 -7.233 10.953 1.00 0.00 H new ATOM 147 N GLY A 18 -20.135 -3.433 12.051 1.00 0.00 N ATOM 148 CA GLY A 18 -18.721 -3.197 11.647 1.00 0.00 C ATOM 149 C GLY A 18 -18.513 -3.727 10.229 1.00 0.00 C ATOM 150 O GLY A 18 -17.411 -4.045 9.826 1.00 0.00 O ATOM 0 H GLY A 18 -20.728 -2.603 12.065 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -18.490 -2.132 11.689 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -18.043 -3.697 12.339 1.00 0.00 H new ATOM 151 N LYS A 19 -19.570 -3.828 9.470 1.00 0.00 N ATOM 152 CA LYS A 19 -19.446 -4.338 8.078 1.00 0.00 C ATOM 153 C LYS A 19 -20.054 -3.320 7.111 1.00 0.00 C ATOM 154 O LYS A 19 -21.035 -2.673 7.415 1.00 0.00 O ATOM 155 CB LYS A 19 -20.195 -5.665 7.956 1.00 0.00 C ATOM 156 CG LYS A 19 -19.780 -6.369 6.662 1.00 0.00 C ATOM 157 CD LYS A 19 -21.027 -6.887 5.941 1.00 0.00 C ATOM 158 CE LYS A 19 -20.651 -8.095 5.079 1.00 0.00 C ATOM 159 NZ LYS A 19 -20.493 -9.295 5.948 1.00 0.00 N ATOM 0 H LYS A 19 -20.516 -3.578 9.756 1.00 0.00 H new ATOM 0 HA LYS A 19 -18.394 -4.490 7.835 1.00 0.00 H new ATOM 0 HB2 LYS A 19 -19.974 -6.299 8.814 1.00 0.00 H new ATOM 0 HB3 LYS A 19 -21.271 -5.489 7.958 1.00 0.00 H new ATOM 0 HG2 LYS A 19 -19.235 -5.678 6.018 1.00 0.00 H new ATOM 0 HG3 LYS A 19 -19.106 -7.196 6.885 1.00 0.00 H new ATOM 0 HD2 LYS A 19 -21.790 -7.168 6.667 1.00 0.00 H new ATOM 0 HD3 LYS A 19 -21.454 -6.101 5.318 1.00 0.00 H new ATOM 0 HE2 LYS A 19 -21.422 -8.274 4.329 1.00 0.00 H new ATOM 0 HE3 LYS A 19 -19.724 -7.897 4.542 1.00 0.00 H new ATOM 0 HZ1 LYS A 19 -20.559 -10.155 5.367 1.00 0.00 H new ATOM 0 HZ2 LYS A 19 -19.565 -9.264 6.417 1.00 0.00 H new ATOM 0 HZ3 LYS A 19 -21.244 -9.304 6.667 1.00 0.00 H new ATOM 160 N LEU A 20 -19.479 -3.174 5.950 1.00 0.00 N ATOM 161 CA LEU A 20 -20.024 -2.196 4.966 1.00 0.00 C ATOM 162 C LEU A 20 -20.885 -2.932 3.937 1.00 0.00 C ATOM 163 O LEU A 20 -20.384 -3.623 3.074 1.00 0.00 O ATOM 164 CB LEU A 20 -18.862 -1.495 4.255 1.00 0.00 C ATOM 165 CG LEU A 20 -19.397 -0.673 3.080 1.00 0.00 C ATOM 166 CD1 LEU A 20 -20.098 0.578 3.610 1.00 0.00 C ATOM 167 CD2 LEU A 20 -18.232 -0.259 2.177 1.00 0.00 C ATOM 0 H LEU A 20 -18.655 -3.689 5.639 1.00 0.00 H new ATOM 0 HA LEU A 20 -20.635 -1.457 5.484 1.00 0.00 H new ATOM 0 HB2 LEU A 20 -18.333 -0.847 4.954 1.00 0.00 H new ATOM 0 HB3 LEU A 20 -18.143 -2.233 3.898 1.00 0.00 H new ATOM 0 HG LEU A 20 -20.106 -1.273 2.509 1.00 0.00 H new ATOM 0 HD11 LEU A 20 -20.479 1.164 2.773 1.00 0.00 H new ATOM 0 HD12 LEU A 20 -20.926 0.285 4.255 1.00 0.00 H new ATOM 0 HD13 LEU A 20 -19.389 1.178 4.180 1.00 0.00 H new ATOM 0 HD21 LEU A 20 -18.611 0.327 1.339 1.00 0.00 H new ATOM 0 HD22 LEU A 20 -17.524 0.341 2.749 1.00 0.00 H new ATOM 0 HD23 LEU A 20 -17.730 -1.150 1.799 1.00 0.00 H new ATOM 168 N PHE A 21 -22.180 -2.787 4.020 1.00 0.00 N ATOM 169 CA PHE A 21 -23.069 -3.477 3.044 1.00 0.00 C ATOM 170 C PHE A 21 -23.173 -2.636 1.771 1.00 0.00 C ATOM 171 O PHE A 21 -23.681 -1.532 1.784 1.00 0.00 O ATOM 172 CB PHE A 21 -24.459 -3.651 3.654 1.00 0.00 C ATOM 173 CG PHE A 21 -24.383 -4.619 4.810 1.00 0.00 C ATOM 174 CD1 PHE A 21 -23.794 -4.225 6.017 1.00 0.00 C ATOM 175 CD2 PHE A 21 -24.900 -5.913 4.674 1.00 0.00 C ATOM 176 CE1 PHE A 21 -23.722 -5.123 7.088 1.00 0.00 C ATOM 177 CE2 PHE A 21 -24.829 -6.812 5.744 1.00 0.00 C ATOM 178 CZ PHE A 21 -24.241 -6.417 6.952 1.00 0.00 C ATOM 0 H PHE A 21 -22.659 -2.221 4.721 1.00 0.00 H new ATOM 0 HA PHE A 21 -22.654 -4.456 2.802 1.00 0.00 H new ATOM 0 HB2 PHE A 21 -24.841 -2.689 3.996 1.00 0.00 H new ATOM 0 HB3 PHE A 21 -25.155 -4.021 2.901 1.00 0.00 H new ATOM 0 HD1 PHE A 21 -23.395 -3.227 6.122 1.00 0.00 H new ATOM 0 HD2 PHE A 21 -25.354 -6.218 3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 21 -23.267 -4.819 8.019 1.00 0.00 H new ATOM 0 HE2 PHE A 21 -25.228 -7.810 5.638 1.00 0.00 H new ATOM 0 HZ PHE A 21 -24.188 -7.110 7.779 1.00 0.00 H new ATOM 179 N CYS A 22 -22.691 -3.147 0.670 1.00 0.00 N ATOM 180 CA CYS A 22 -22.760 -2.374 -0.600 1.00 0.00 C ATOM 181 C CYS A 22 -23.705 -3.075 -1.578 1.00 0.00 C ATOM 182 O CYS A 22 -23.318 -3.983 -2.287 1.00 0.00 O ATOM 183 CB CYS A 22 -21.361 -2.284 -1.216 1.00 0.00 C ATOM 184 SG CYS A 22 -20.208 -1.624 0.012 1.00 0.00 S ATOM 0 H CYS A 22 -22.253 -4.065 0.597 1.00 0.00 H new ATOM 0 HA CYS A 22 -23.134 -1.371 -0.395 1.00 0.00 H new ATOM 0 HB2 CYS A 22 -21.033 -3.269 -1.547 1.00 0.00 H new ATOM 0 HB3 CYS A 22 -21.379 -1.642 -2.096 1.00 0.00 H new ATOM 185 N PRO A 23 -24.972 -2.637 -1.611 1.00 0.00 N ATOM 186 CA PRO A 23 -25.988 -3.215 -2.499 1.00 0.00 C ATOM 187 C PRO A 23 -25.728 -2.862 -3.966 1.00 0.00 C ATOM 188 O PRO A 23 -24.649 -2.437 -4.331 1.00 0.00 O ATOM 189 CB PRO A 23 -27.287 -2.560 -2.029 1.00 0.00 C ATOM 190 CG PRO A 23 -26.855 -1.278 -1.400 1.00 0.00 C ATOM 191 CD PRO A 23 -25.511 -1.544 -0.783 1.00 0.00 C ATOM 0 HA PRO A 23 -26.001 -4.304 -2.452 1.00 0.00 H new ATOM 0 HB2 PRO A 23 -27.966 -2.383 -2.863 1.00 0.00 H new ATOM 0 HB3 PRO A 23 -27.815 -3.193 -1.316 1.00 0.00 H new ATOM 0 HG2 PRO A 23 -26.792 -0.482 -2.142 1.00 0.00 H new ATOM 0 HG3 PRO A 23 -27.572 -0.954 -0.646 1.00 0.00 H new ATOM 0 HD2 PRO A 23 -24.872 -0.662 -0.814 1.00 0.00 H new ATOM 0 HD3 PRO A 23 -25.599 -1.837 0.263 1.00 0.00 H new ATOM 192 N GLN A 24 -26.708 -3.033 -4.811 1.00 0.00 N ATOM 193 CA GLN A 24 -26.517 -2.706 -6.252 1.00 0.00 C ATOM 194 C GLN A 24 -26.818 -1.223 -6.481 1.00 0.00 C ATOM 195 O GLN A 24 -27.930 -0.770 -6.297 1.00 0.00 O ATOM 196 CB GLN A 24 -27.467 -3.556 -7.099 1.00 0.00 C ATOM 197 CG GLN A 24 -27.172 -3.325 -8.583 1.00 0.00 C ATOM 198 CD GLN A 24 -28.083 -4.217 -9.428 1.00 0.00 C ATOM 199 OE1 GLN A 24 -28.803 -5.043 -8.903 1.00 0.00 O ATOM 200 NE2 GLN A 24 -28.084 -4.083 -10.727 1.00 0.00 N ATOM 0 H GLN A 24 -27.633 -3.385 -4.565 1.00 0.00 H new ATOM 0 HA GLN A 24 -25.487 -2.917 -6.540 1.00 0.00 H new ATOM 0 HB2 GLN A 24 -27.346 -4.611 -6.853 1.00 0.00 H new ATOM 0 HB3 GLN A 24 -28.502 -3.294 -6.878 1.00 0.00 H new ATOM 0 HG2 GLN A 24 -27.332 -2.277 -8.838 1.00 0.00 H new ATOM 0 HG3 GLN A 24 -26.127 -3.548 -8.796 1.00 0.00 H new ATOM 0 HE21 GLN A 24 -27.480 -3.390 -11.169 1.00 0.00 H new ATOM 0 HE22 GLN A 24 -28.689 -4.671 -11.300 1.00 0.00 H new ATOM 201 N ASP A 25 -25.834 -0.464 -6.878 1.00 0.00 N ATOM 202 CA ASP A 25 -26.064 0.990 -7.116 1.00 0.00 C ATOM 203 C ASP A 25 -26.532 1.204 -8.557 1.00 0.00 C ATOM 204 O ASP A 25 -25.842 0.873 -9.500 1.00 0.00 O ATOM 205 CB ASP A 25 -24.760 1.755 -6.883 1.00 0.00 C ATOM 206 CG ASP A 25 -25.024 3.258 -6.994 1.00 0.00 C ATOM 207 OD1 ASP A 25 -26.180 3.629 -7.119 1.00 0.00 O ATOM 208 OD2 ASP A 25 -24.066 4.012 -6.951 1.00 0.00 O ATOM 0 H ASP A 25 -24.881 -0.787 -7.048 1.00 0.00 H new ATOM 0 HA ASP A 25 -26.828 1.355 -6.430 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -24.357 1.517 -5.898 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -24.012 1.451 -7.615 1.00 0.00 H new ATOM 209 N LYS A 26 -27.702 1.756 -8.735 1.00 0.00 N ATOM 210 CA LYS A 26 -28.212 1.992 -10.116 1.00 0.00 C ATOM 211 C LYS A 26 -27.261 2.932 -10.858 1.00 0.00 C ATOM 212 O LYS A 26 -27.078 2.829 -12.055 1.00 0.00 O ATOM 213 CB LYS A 26 -29.602 2.628 -10.045 1.00 0.00 C ATOM 214 CG LYS A 26 -30.580 1.648 -9.393 1.00 0.00 C ATOM 215 CD LYS A 26 -31.991 2.237 -9.434 1.00 0.00 C ATOM 216 CE LYS A 26 -32.946 1.325 -8.661 1.00 0.00 C ATOM 217 NZ LYS A 26 -34.246 2.025 -8.458 1.00 0.00 N ATOM 0 H LYS A 26 -28.326 2.053 -7.985 1.00 0.00 H new ATOM 0 HA LYS A 26 -28.273 1.042 -10.647 1.00 0.00 H new ATOM 0 HB2 LYS A 26 -29.561 3.553 -9.471 1.00 0.00 H new ATOM 0 HB3 LYS A 26 -29.946 2.889 -11.046 1.00 0.00 H new ATOM 0 HG2 LYS A 26 -30.558 0.692 -9.916 1.00 0.00 H new ATOM 0 HG3 LYS A 26 -30.285 1.454 -8.362 1.00 0.00 H new ATOM 0 HD2 LYS A 26 -31.993 3.236 -8.998 1.00 0.00 H new ATOM 0 HD3 LYS A 26 -32.324 2.339 -10.467 1.00 0.00 H new ATOM 0 HE2 LYS A 26 -33.103 0.396 -9.209 1.00 0.00 H new ATOM 0 HE3 LYS A 26 -32.511 1.057 -7.698 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 -34.896 1.406 -7.933 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 -34.089 2.900 -7.918 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 -34.662 2.259 -9.382 1.00 0.00 H new ATOM 218 N LYS A 27 -26.656 3.849 -10.156 1.00 0.00 N ATOM 219 CA LYS A 27 -25.717 4.797 -10.819 1.00 0.00 C ATOM 220 C LYS A 27 -24.369 4.109 -11.044 1.00 0.00 C ATOM 221 O LYS A 27 -23.890 3.373 -10.204 1.00 0.00 O ATOM 222 CB LYS A 27 -25.519 6.025 -9.929 1.00 0.00 C ATOM 223 CG LYS A 27 -26.876 6.663 -9.627 1.00 0.00 C ATOM 224 CD LYS A 27 -26.721 7.680 -8.495 1.00 0.00 C ATOM 225 CE LYS A 27 -27.889 7.540 -7.517 1.00 0.00 C ATOM 226 NZ LYS A 27 -29.115 8.137 -8.119 1.00 0.00 N ATOM 0 H LYS A 27 -26.771 3.983 -9.151 1.00 0.00 H new ATOM 0 HA LYS A 27 -26.132 5.106 -11.779 1.00 0.00 H new ATOM 0 HB2 LYS A 27 -25.026 5.738 -9.000 1.00 0.00 H new ATOM 0 HB3 LYS A 27 -24.869 6.746 -10.425 1.00 0.00 H new ATOM 0 HG2 LYS A 27 -27.266 7.153 -10.519 1.00 0.00 H new ATOM 0 HG3 LYS A 27 -27.596 5.895 -9.344 1.00 0.00 H new ATOM 0 HD2 LYS A 27 -25.777 7.519 -7.975 1.00 0.00 H new ATOM 0 HD3 LYS A 27 -26.693 8.691 -8.902 1.00 0.00 H new ATOM 0 HE2 LYS A 27 -28.059 6.489 -7.286 1.00 0.00 H new ATOM 0 HE3 LYS A 27 -27.652 8.039 -6.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 27 -29.909 8.042 -7.455 1.00 0.00 H new ATOM 0 HZ2 LYS A 27 -28.949 9.144 -8.318 1.00 0.00 H new ATOM 0 HZ3 LYS A 27 -29.343 7.642 -9.005 1.00 0.00 H new ATOM 227 N PRO A 28 -23.748 4.360 -12.206 1.00 0.00 N ATOM 228 CA PRO A 28 -22.451 3.770 -12.555 1.00 0.00 C ATOM 229 C PRO A 28 -21.317 4.351 -11.706 1.00 0.00 C ATOM 230 O PRO A 28 -21.213 5.549 -11.529 1.00 0.00 O ATOM 231 CB PRO A 28 -22.259 4.163 -14.020 1.00 0.00 C ATOM 232 CG PRO A 28 -23.085 5.395 -14.188 1.00 0.00 C ATOM 233 CD PRO A 28 -24.264 5.239 -13.269 1.00 0.00 C ATOM 0 HA PRO A 28 -22.432 2.694 -12.383 1.00 0.00 H new ATOM 0 HB2 PRO A 28 -21.210 4.355 -14.245 1.00 0.00 H new ATOM 0 HB3 PRO A 28 -22.589 3.369 -14.690 1.00 0.00 H new ATOM 0 HG2 PRO A 28 -22.510 6.286 -13.936 1.00 0.00 H new ATOM 0 HG3 PRO A 28 -23.410 5.508 -15.222 1.00 0.00 H new ATOM 0 HD2 PRO A 28 -24.595 6.199 -12.872 1.00 0.00 H new ATOM 0 HD3 PRO A 28 -25.117 4.794 -13.781 1.00 0.00 H new ATOM 234 N ILE A 29 -20.468 3.513 -11.179 1.00 0.00 N ATOM 235 CA ILE A 29 -19.344 4.021 -10.342 1.00 0.00 C ATOM 236 C ILE A 29 -18.010 3.681 -11.009 1.00 0.00 C ATOM 237 O ILE A 29 -17.946 2.896 -11.936 1.00 0.00 O ATOM 238 CB ILE A 29 -19.389 3.376 -8.950 1.00 0.00 C ATOM 239 CG1 ILE A 29 -20.136 2.040 -9.020 1.00 0.00 C ATOM 240 CG2 ILE A 29 -20.101 4.312 -7.971 1.00 0.00 C ATOM 241 CD1 ILE A 29 -19.294 1.030 -9.802 1.00 0.00 C ATOM 0 H ILE A 29 -20.503 2.500 -11.291 1.00 0.00 H new ATOM 0 HA ILE A 29 -19.442 5.102 -10.242 1.00 0.00 H new ATOM 0 HB ILE A 29 -18.370 3.199 -8.605 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -20.332 1.667 -8.015 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -21.103 2.176 -9.504 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -20.131 3.851 -6.984 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -19.561 5.257 -7.914 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -21.118 4.495 -8.317 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -19.823 0.078 -9.854 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -19.121 1.404 -10.811 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -18.338 0.887 -9.299 1.00 0.00 H new ATOM 242 N GLN A 30 -16.945 4.262 -10.533 1.00 0.00 N ATOM 243 CA GLN A 30 -15.604 3.981 -11.116 1.00 0.00 C ATOM 244 C GLN A 30 -14.561 4.098 -10.006 1.00 0.00 C ATOM 245 O GLN A 30 -14.482 5.101 -9.327 1.00 0.00 O ATOM 246 CB GLN A 30 -15.297 5.000 -12.217 1.00 0.00 C ATOM 247 CG GLN A 30 -16.208 4.742 -13.418 1.00 0.00 C ATOM 248 CD GLN A 30 -15.802 5.661 -14.571 1.00 0.00 C ATOM 249 OE1 GLN A 30 -15.008 6.565 -14.394 1.00 0.00 O ATOM 250 NE2 GLN A 30 -16.316 5.468 -15.756 1.00 0.00 N ATOM 0 H GLN A 30 -16.946 4.925 -9.758 1.00 0.00 H new ATOM 0 HA GLN A 30 -15.585 2.979 -11.546 1.00 0.00 H new ATOM 0 HB2 GLN A 30 -15.448 6.013 -11.843 1.00 0.00 H new ATOM 0 HB3 GLN A 30 -14.252 4.924 -12.517 1.00 0.00 H new ATOM 0 HG2 GLN A 30 -16.135 3.699 -13.727 1.00 0.00 H new ATOM 0 HG3 GLN A 30 -17.248 4.921 -13.145 1.00 0.00 H new ATOM 0 HE21 GLN A 30 -16.982 4.710 -15.906 1.00 0.00 H new ATOM 0 HE22 GLN A 30 -16.051 6.075 -16.532 1.00 0.00 H new ATOM 251 N SER A 31 -13.767 3.081 -9.804 1.00 0.00 N ATOM 252 CA SER A 31 -12.753 3.141 -8.715 1.00 0.00 C ATOM 253 C SER A 31 -11.540 3.950 -9.171 1.00 0.00 C ATOM 254 O SER A 31 -11.116 3.879 -10.308 1.00 0.00 O ATOM 255 CB SER A 31 -12.312 1.722 -8.351 1.00 0.00 C ATOM 256 OG SER A 31 -12.308 1.575 -6.938 1.00 0.00 O ATOM 0 H SER A 31 -13.777 2.216 -10.344 1.00 0.00 H new ATOM 0 HA SER A 31 -13.195 3.624 -7.843 1.00 0.00 H new ATOM 0 HB2 SER A 31 -12.986 0.993 -8.801 1.00 0.00 H new ATOM 0 HB3 SER A 31 -11.317 1.525 -8.751 1.00 0.00 H new ATOM 0 HG SER A 31 -12.184 0.631 -6.708 1.00 0.00 H new ATOM 257 N LEU A 32 -10.984 4.724 -8.279 1.00 0.00 N ATOM 258 CA LEU A 32 -9.800 5.553 -8.632 1.00 0.00 C ATOM 259 C LEU A 32 -8.527 4.752 -8.358 1.00 0.00 C ATOM 260 O LEU A 32 -7.459 5.080 -8.838 1.00 0.00 O ATOM 261 CB LEU A 32 -9.793 6.821 -7.775 1.00 0.00 C ATOM 262 CG LEU A 32 -11.076 7.620 -8.017 1.00 0.00 C ATOM 263 CD1 LEU A 32 -12.263 6.894 -7.381 1.00 0.00 C ATOM 264 CD2 LEU A 32 -10.938 9.006 -7.384 1.00 0.00 C ATOM 0 H LEU A 32 -11.303 4.817 -7.315 1.00 0.00 H new ATOM 0 HA LEU A 32 -9.845 5.826 -9.686 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -9.712 6.557 -6.720 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -8.923 7.431 -8.019 1.00 0.00 H new ATOM 0 HG LEU A 32 -11.242 7.718 -9.090 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -13.175 7.465 -7.555 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -12.365 5.904 -7.826 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -12.096 6.795 -6.308 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -11.851 9.577 -7.555 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -10.771 8.901 -6.312 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -10.094 9.529 -7.833 1.00 0.00 H new ATOM 265 N ASP A 33 -8.634 3.704 -7.589 1.00 0.00 N ATOM 266 CA ASP A 33 -7.434 2.879 -7.279 1.00 0.00 C ATOM 267 C ASP A 33 -7.063 2.038 -8.502 1.00 0.00 C ATOM 268 O ASP A 33 -6.104 1.292 -8.488 1.00 0.00 O ATOM 269 CB ASP A 33 -7.741 1.955 -6.099 1.00 0.00 C ATOM 270 CG ASP A 33 -8.011 2.796 -4.850 1.00 0.00 C ATOM 271 OD1 ASP A 33 -7.676 3.970 -4.867 1.00 0.00 O ATOM 272 OD2 ASP A 33 -8.548 2.255 -3.899 1.00 0.00 O ATOM 0 H ASP A 33 -9.503 3.383 -7.161 1.00 0.00 H new ATOM 0 HA ASP A 33 -6.601 3.533 -7.021 1.00 0.00 H new ATOM 0 HB2 ASP A 33 -8.607 1.333 -6.326 1.00 0.00 H new ATOM 0 HB3 ASP A 33 -6.902 1.282 -5.923 1.00 0.00 H new ATOM 273 N GLY A 34 -7.819 2.146 -9.561 1.00 0.00 N ATOM 274 CA GLY A 34 -7.513 1.349 -10.780 1.00 0.00 C ATOM 275 C GLY A 34 -8.475 0.163 -10.857 1.00 0.00 C ATOM 276 O GLY A 34 -8.163 -0.867 -11.421 1.00 0.00 O ATOM 0 H GLY A 34 -8.636 2.753 -9.633 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -7.611 1.971 -11.670 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -6.482 0.996 -10.749 1.00 0.00 H new ATOM 277 N ILE A 35 -9.642 0.300 -10.290 1.00 0.00 N ATOM 278 CA ILE A 35 -10.623 -0.821 -10.327 1.00 0.00 C ATOM 279 C ILE A 35 -11.939 -0.333 -10.939 1.00 0.00 C ATOM 280 O ILE A 35 -12.330 0.805 -10.769 1.00 0.00 O ATOM 281 CB ILE A 35 -10.888 -1.321 -8.903 1.00 0.00 C ATOM 282 CG1 ILE A 35 -9.574 -1.385 -8.120 1.00 0.00 C ATOM 283 CG2 ILE A 35 -11.512 -2.716 -8.960 1.00 0.00 C ATOM 284 CD1 ILE A 35 -9.763 -0.719 -6.755 1.00 0.00 C ATOM 0 H ILE A 35 -9.958 1.139 -9.803 1.00 0.00 H new ATOM 0 HA ILE A 35 -10.216 -1.632 -10.931 1.00 0.00 H new ATOM 0 HB ILE A 35 -11.571 -0.633 -8.404 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -9.265 -2.422 -7.991 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -8.782 -0.883 -8.675 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -11.701 -3.072 -7.947 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -12.452 -2.672 -9.510 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -10.829 -3.400 -9.464 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -8.828 -0.764 -6.196 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -10.053 0.322 -6.895 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -10.543 -1.241 -6.200 1.00 0.00 H new ATOM 285 N MET A 36 -12.630 -1.188 -11.642 1.00 0.00 N ATOM 286 CA MET A 36 -13.926 -0.776 -12.252 1.00 0.00 C ATOM 287 C MET A 36 -15.069 -1.235 -11.346 1.00 0.00 C ATOM 288 O MET A 36 -16.151 -1.549 -11.802 1.00 0.00 O ATOM 289 CB MET A 36 -14.074 -1.426 -13.630 1.00 0.00 C ATOM 290 CG MET A 36 -12.938 -0.954 -14.540 1.00 0.00 C ATOM 291 SD MET A 36 -13.150 -1.673 -16.189 1.00 0.00 S ATOM 292 CE MET A 36 -13.240 -3.404 -15.672 1.00 0.00 C ATOM 0 H MET A 36 -12.353 -2.153 -11.820 1.00 0.00 H new ATOM 0 HA MET A 36 -13.953 0.308 -12.362 1.00 0.00 H new ATOM 0 HB2 MET A 36 -14.052 -2.512 -13.536 1.00 0.00 H new ATOM 0 HB3 MET A 36 -15.037 -1.163 -14.067 1.00 0.00 H new ATOM 0 HG2 MET A 36 -12.936 0.134 -14.603 1.00 0.00 H new ATOM 0 HG3 MET A 36 -11.976 -1.251 -14.123 1.00 0.00 H new ATOM 0 HE1 MET A 36 -12.881 -4.044 -16.478 1.00 0.00 H new ATOM 0 HE2 MET A 36 -12.621 -3.552 -14.787 1.00 0.00 H new ATOM 0 HE3 MET A 36 -14.273 -3.661 -15.438 1.00 0.00 H new ATOM 293 N PHE A 37 -14.830 -1.286 -10.065 1.00 0.00 N ATOM 294 CA PHE A 37 -15.892 -1.732 -9.120 1.00 0.00 C ATOM 295 C PHE A 37 -16.435 -0.526 -8.350 1.00 0.00 C ATOM 296 O PHE A 37 -15.875 0.551 -8.388 1.00 0.00 O ATOM 297 CB PHE A 37 -15.291 -2.734 -8.133 1.00 0.00 C ATOM 298 CG PHE A 37 -16.363 -3.224 -7.189 1.00 0.00 C ATOM 299 CD1 PHE A 37 -17.140 -4.338 -7.531 1.00 0.00 C ATOM 300 CD2 PHE A 37 -16.581 -2.566 -5.973 1.00 0.00 C ATOM 301 CE1 PHE A 37 -18.134 -4.794 -6.656 1.00 0.00 C ATOM 302 CE2 PHE A 37 -17.575 -3.022 -5.098 1.00 0.00 C ATOM 303 CZ PHE A 37 -18.351 -4.137 -5.440 1.00 0.00 C ATOM 0 H PHE A 37 -13.941 -1.037 -9.630 1.00 0.00 H new ATOM 0 HA PHE A 37 -16.704 -2.200 -9.676 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -14.856 -3.575 -8.673 1.00 0.00 H new ATOM 0 HB3 PHE A 37 -14.484 -2.265 -7.570 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -16.973 -4.845 -8.470 1.00 0.00 H new ATOM 0 HD2 PHE A 37 -15.983 -1.706 -5.709 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -18.733 -5.653 -6.920 1.00 0.00 H new ATOM 0 HE2 PHE A 37 -17.743 -2.514 -4.160 1.00 0.00 H new ATOM 0 HZ PHE A 37 -19.117 -4.489 -4.765 1.00 0.00 H new ATOM 304 N ILE A 38 -17.523 -0.699 -7.647 1.00 0.00 N ATOM 305 CA ILE A 38 -18.097 0.437 -6.873 1.00 0.00 C ATOM 306 C ILE A 38 -16.979 1.136 -6.097 1.00 0.00 C ATOM 307 O ILE A 38 -16.511 0.649 -5.087 1.00 0.00 O ATOM 308 CB ILE A 38 -19.149 -0.089 -5.894 1.00 0.00 C ATOM 309 CG1 ILE A 38 -20.246 -0.825 -6.667 1.00 0.00 C ATOM 310 CG2 ILE A 38 -19.766 1.083 -5.129 1.00 0.00 C ATOM 311 CD1 ILE A 38 -21.237 -1.445 -5.681 1.00 0.00 C ATOM 0 H ILE A 38 -18.037 -1.577 -7.576 1.00 0.00 H new ATOM 0 HA ILE A 38 -18.564 1.145 -7.557 1.00 0.00 H new ATOM 0 HB ILE A 38 -18.677 -0.775 -5.191 1.00 0.00 H new ATOM 0 HG12 ILE A 38 -20.763 -0.134 -7.332 1.00 0.00 H new ATOM 0 HG13 ILE A 38 -19.806 -1.601 -7.293 1.00 0.00 H new ATOM 0 HG21 ILE A 38 -20.515 0.708 -4.432 1.00 0.00 H new ATOM 0 HG22 ILE A 38 -18.986 1.608 -4.577 1.00 0.00 H new ATOM 0 HG23 ILE A 38 -20.237 1.770 -5.833 1.00 0.00 H new ATOM 0 HD11 ILE A 38 -22.018 -1.969 -6.231 1.00 0.00 H new ATOM 0 HD12 ILE A 38 -20.714 -2.149 -5.034 1.00 0.00 H new ATOM 0 HD13 ILE A 38 -21.686 -0.659 -5.074 1.00 0.00 H new ATOM 312 N ASN A 39 -16.547 2.273 -6.565 1.00 0.00 N ATOM 313 CA ASN A 39 -15.456 3.006 -5.863 1.00 0.00 C ATOM 314 C ASN A 39 -15.858 3.269 -4.415 1.00 0.00 C ATOM 315 O ASN A 39 -15.145 2.931 -3.494 1.00 0.00 O ATOM 316 CB ASN A 39 -15.212 4.341 -6.562 1.00 0.00 C ATOM 317 CG ASN A 39 -14.092 5.102 -5.847 1.00 0.00 C ATOM 318 OD1 ASN A 39 -14.282 6.223 -5.418 1.00 0.00 O ATOM 319 ND2 ASN A 39 -12.923 4.539 -5.700 1.00 0.00 N ATOM 0 H ASN A 39 -16.903 2.728 -7.406 1.00 0.00 H new ATOM 0 HA ASN A 39 -14.548 2.403 -5.885 1.00 0.00 H new ATOM 0 HB2 ASN A 39 -14.942 4.172 -7.604 1.00 0.00 H new ATOM 0 HB3 ASN A 39 -16.126 4.935 -6.561 1.00 0.00 H new ATOM 0 HD21 ASN A 39 -12.172 5.040 -5.226 1.00 0.00 H new ATOM 0 HD22 ASN A 39 -12.761 3.598 -6.059 1.00 0.00 H new ATOM 320 N LYS A 40 -16.988 3.883 -4.207 1.00 0.00 N ATOM 321 CA LYS A 40 -17.426 4.180 -2.816 1.00 0.00 C ATOM 322 C LYS A 40 -17.175 2.967 -1.925 1.00 0.00 C ATOM 323 O LYS A 40 -16.514 3.055 -0.915 1.00 0.00 O ATOM 324 CB LYS A 40 -18.915 4.530 -2.808 1.00 0.00 C ATOM 325 CG LYS A 40 -19.188 5.616 -3.853 1.00 0.00 C ATOM 326 CD LYS A 40 -20.603 6.165 -3.665 1.00 0.00 C ATOM 327 CE LYS A 40 -20.808 7.369 -4.586 1.00 0.00 C ATOM 328 NZ LYS A 40 -20.596 6.951 -6.001 1.00 0.00 N ATOM 0 H LYS A 40 -17.627 4.192 -4.940 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.857 5.027 -2.434 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.510 3.643 -3.026 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -19.213 4.878 -1.819 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -18.459 6.420 -3.755 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -19.077 5.205 -4.857 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -21.338 5.392 -3.890 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -20.756 6.458 -2.626 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -21.814 7.770 -4.460 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -20.112 8.165 -4.322 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.990 7.672 -6.639 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.577 6.847 -6.183 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -21.072 6.042 -6.170 1.00 0.00 H new ATOM 329 N CYS A 41 -17.689 1.835 -2.291 1.00 0.00 N ATOM 330 CA CYS A 41 -17.470 0.618 -1.461 1.00 0.00 C ATOM 331 C CYS A 41 -15.986 0.255 -1.480 1.00 0.00 C ATOM 332 O CYS A 41 -15.389 -0.046 -0.465 1.00 0.00 O ATOM 333 CB CYS A 41 -18.270 -0.542 -2.047 1.00 0.00 C ATOM 334 SG CYS A 41 -18.391 -1.875 -0.829 1.00 0.00 S ATOM 0 H CYS A 41 -18.253 1.694 -3.129 1.00 0.00 H new ATOM 0 HA CYS A 41 -17.792 0.812 -0.438 1.00 0.00 H new ATOM 0 HB2 CYS A 41 -19.267 -0.203 -2.330 1.00 0.00 H new ATOM 0 HB3 CYS A 41 -17.788 -0.907 -2.954 1.00 0.00 H new ATOM 335 N ALA A 42 -15.395 0.266 -2.639 1.00 0.00 N ATOM 336 CA ALA A 42 -13.954 -0.094 -2.760 1.00 0.00 C ATOM 337 C ALA A 42 -13.071 0.916 -2.017 1.00 0.00 C ATOM 338 O ALA A 42 -11.998 0.581 -1.554 1.00 0.00 O ATOM 339 CB ALA A 42 -13.562 -0.107 -4.236 1.00 0.00 C ATOM 0 H ALA A 42 -15.852 0.511 -3.518 1.00 0.00 H new ATOM 0 HA ALA A 42 -13.805 -1.079 -2.317 1.00 0.00 H new ATOM 0 HB1 ALA A 42 -12.508 -0.370 -4.330 1.00 0.00 H new ATOM 0 HB2 ALA A 42 -14.168 -0.841 -4.767 1.00 0.00 H new ATOM 0 HB3 ALA A 42 -13.729 0.881 -4.666 1.00 0.00 H new ATOM 340 N THR A 43 -13.491 2.149 -1.904 1.00 0.00 N ATOM 341 CA THR A 43 -12.639 3.148 -1.196 1.00 0.00 C ATOM 342 C THR A 43 -13.211 3.422 0.195 1.00 0.00 C ATOM 343 O THR A 43 -12.489 3.499 1.169 1.00 0.00 O ATOM 344 CB THR A 43 -12.595 4.448 -2.005 1.00 0.00 C ATOM 345 OG1 THR A 43 -13.860 4.668 -2.612 1.00 0.00 O ATOM 346 CG2 THR A 43 -11.518 4.342 -3.088 1.00 0.00 C ATOM 0 H THR A 43 -14.376 2.504 -2.266 1.00 0.00 H new ATOM 0 HA THR A 43 -11.628 2.753 -1.094 1.00 0.00 H new ATOM 0 HB THR A 43 -12.359 5.281 -1.343 1.00 0.00 H new ATOM 0 HG1 THR A 43 -14.000 4.010 -3.324 1.00 0.00 H new ATOM 0 HG21 THR A 43 -11.488 5.268 -3.663 1.00 0.00 H new ATOM 0 HG22 THR A 43 -10.548 4.173 -2.621 1.00 0.00 H new ATOM 0 HG23 THR A 43 -11.751 3.510 -3.752 1.00 0.00 H new ATOM 347 N CYS A 44 -14.502 3.571 0.298 1.00 0.00 N ATOM 348 CA CYS A 44 -15.117 3.838 1.628 1.00 0.00 C ATOM 349 C CYS A 44 -14.737 2.719 2.598 1.00 0.00 C ATOM 350 O CYS A 44 -14.633 2.930 3.789 1.00 0.00 O ATOM 351 CB CYS A 44 -16.640 3.892 1.490 1.00 0.00 C ATOM 352 SG CYS A 44 -17.383 4.246 3.102 1.00 0.00 S ATOM 0 H CYS A 44 -15.158 3.519 -0.481 1.00 0.00 H new ATOM 0 HA CYS A 44 -14.753 4.793 2.008 1.00 0.00 H new ATOM 0 HB2 CYS A 44 -16.923 4.661 0.771 1.00 0.00 H new ATOM 0 HB3 CYS A 44 -17.014 2.943 1.106 1.00 0.00 H new ATOM 353 N LYS A 45 -14.528 1.529 2.102 1.00 0.00 N ATOM 354 CA LYS A 45 -14.155 0.409 3.011 1.00 0.00 C ATOM 355 C LYS A 45 -12.917 0.806 3.817 1.00 0.00 C ATOM 356 O LYS A 45 -12.910 0.751 5.031 1.00 0.00 O ATOM 357 CB LYS A 45 -13.854 -0.845 2.188 1.00 0.00 C ATOM 358 CG LYS A 45 -13.816 -2.064 3.111 1.00 0.00 C ATOM 359 CD LYS A 45 -13.503 -3.317 2.291 1.00 0.00 C ATOM 360 CE LYS A 45 -13.361 -4.519 3.228 1.00 0.00 C ATOM 361 NZ LYS A 45 -14.278 -5.605 2.785 1.00 0.00 N ATOM 0 H LYS A 45 -14.599 1.286 1.114 1.00 0.00 H new ATOM 0 HA LYS A 45 -14.981 0.200 3.690 1.00 0.00 H new ATOM 0 HB2 LYS A 45 -14.616 -0.981 1.420 1.00 0.00 H new ATOM 0 HB3 LYS A 45 -12.899 -0.735 1.674 1.00 0.00 H new ATOM 0 HG2 LYS A 45 -13.060 -1.924 3.884 1.00 0.00 H new ATOM 0 HG3 LYS A 45 -14.774 -2.179 3.619 1.00 0.00 H new ATOM 0 HD2 LYS A 45 -14.298 -3.499 1.567 1.00 0.00 H new ATOM 0 HD3 LYS A 45 -12.583 -3.173 1.725 1.00 0.00 H new ATOM 0 HE2 LYS A 45 -12.331 -4.875 3.226 1.00 0.00 H new ATOM 0 HE3 LYS A 45 -13.595 -4.226 4.251 1.00 0.00 H new ATOM 0 HZ1 LYS A 45 -14.182 -6.422 3.421 1.00 0.00 H new ATOM 0 HZ2 LYS A 45 -15.259 -5.262 2.808 1.00 0.00 H new ATOM 0 HZ3 LYS A 45 -14.034 -5.891 1.815 1.00 0.00 H new ATOM 362 N MET A 46 -11.870 1.214 3.152 1.00 0.00 N ATOM 363 CA MET A 46 -10.637 1.622 3.882 1.00 0.00 C ATOM 364 C MET A 46 -10.913 2.921 4.641 1.00 0.00 C ATOM 365 O MET A 46 -10.420 3.133 5.731 1.00 0.00 O ATOM 366 CB MET A 46 -9.501 1.845 2.881 1.00 0.00 C ATOM 367 CG MET A 46 -9.199 0.536 2.151 1.00 0.00 C ATOM 368 SD MET A 46 -7.737 0.752 1.104 1.00 0.00 S ATOM 369 CE MET A 46 -6.514 0.820 2.435 1.00 0.00 C ATOM 0 H MET A 46 -11.816 1.282 2.136 1.00 0.00 H new ATOM 0 HA MET A 46 -10.349 0.840 4.585 1.00 0.00 H new ATOM 0 HB2 MET A 46 -9.780 2.617 2.164 1.00 0.00 H new ATOM 0 HB3 MET A 46 -8.610 2.199 3.399 1.00 0.00 H new ATOM 0 HG2 MET A 46 -9.028 -0.264 2.872 1.00 0.00 H new ATOM 0 HG3 MET A 46 -10.054 0.240 1.543 1.00 0.00 H new ATOM 0 HE1 MET A 46 -5.666 0.182 2.183 1.00 0.00 H new ATOM 0 HE2 MET A 46 -6.171 1.847 2.562 1.00 0.00 H new ATOM 0 HE3 MET A 46 -6.967 0.472 3.363 1.00 0.00 H new ATOM 370 N ILE A 47 -11.700 3.792 4.069 1.00 0.00 N ATOM 371 CA ILE A 47 -12.014 5.078 4.754 1.00 0.00 C ATOM 372 C ILE A 47 -12.965 4.808 5.922 1.00 0.00 C ATOM 373 O ILE A 47 -13.034 5.570 6.866 1.00 0.00 O ATOM 374 CB ILE A 47 -12.678 6.033 3.761 1.00 0.00 C ATOM 375 CG1 ILE A 47 -11.809 6.151 2.507 1.00 0.00 C ATOM 376 CG2 ILE A 47 -12.834 7.413 4.404 1.00 0.00 C ATOM 377 CD1 ILE A 47 -12.553 6.961 1.444 1.00 0.00 C ATOM 0 H ILE A 47 -12.139 3.668 3.157 1.00 0.00 H new ATOM 0 HA ILE A 47 -11.095 5.529 5.130 1.00 0.00 H new ATOM 0 HB ILE A 47 -13.660 5.646 3.488 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -10.863 6.634 2.751 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -11.570 5.159 2.123 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -13.307 8.093 3.696 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -13.453 7.330 5.297 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -11.852 7.800 4.678 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -11.934 7.045 0.551 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -13.487 6.459 1.192 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -12.769 7.957 1.831 1.00 0.00 H new ATOM 378 N LEU A 48 -13.694 3.727 5.868 1.00 0.00 N ATOM 379 CA LEU A 48 -14.636 3.405 6.977 1.00 0.00 C ATOM 380 C LEU A 48 -13.836 2.947 8.197 1.00 0.00 C ATOM 381 O LEU A 48 -14.131 3.309 9.318 1.00 0.00 O ATOM 382 CB LEU A 48 -15.583 2.286 6.537 1.00 0.00 C ATOM 383 CG LEU A 48 -16.919 2.420 7.275 1.00 0.00 C ATOM 384 CD1 LEU A 48 -16.661 2.660 8.763 1.00 0.00 C ATOM 385 CD2 LEU A 48 -17.706 3.598 6.696 1.00 0.00 C ATOM 0 H LEU A 48 -13.678 3.052 5.103 1.00 0.00 H new ATOM 0 HA LEU A 48 -15.219 4.290 7.231 1.00 0.00 H new ATOM 0 HB2 LEU A 48 -15.745 2.336 5.460 1.00 0.00 H new ATOM 0 HB3 LEU A 48 -15.136 1.314 6.748 1.00 0.00 H new ATOM 0 HG LEU A 48 -17.495 1.503 7.151 1.00 0.00 H new ATOM 0 HD11 LEU A 48 -17.612 2.755 9.287 1.00 0.00 H new ATOM 0 HD12 LEU A 48 -16.102 1.820 9.176 1.00 0.00 H new ATOM 0 HD13 LEU A 48 -16.084 3.576 8.889 1.00 0.00 H new ATOM 0 HD21 LEU A 48 -18.657 3.694 7.221 1.00 0.00 H new ATOM 0 HD22 LEU A 48 -17.130 4.515 6.818 1.00 0.00 H new ATOM 0 HD23 LEU A 48 -17.893 3.425 5.636 1.00 0.00 H new ATOM 386 N GLU A 49 -12.821 2.155 7.984 1.00 0.00 N ATOM 387 CA GLU A 49 -11.999 1.675 9.129 1.00 0.00 C ATOM 388 C GLU A 49 -11.324 2.872 9.801 1.00 0.00 C ATOM 389 O GLU A 49 -11.099 2.881 10.996 1.00 0.00 O ATOM 390 CB GLU A 49 -10.929 0.707 8.620 1.00 0.00 C ATOM 391 CG GLU A 49 -11.600 -0.445 7.870 1.00 0.00 C ATOM 392 CD GLU A 49 -10.527 -1.356 7.269 1.00 0.00 C ATOM 393 OE1 GLU A 49 -9.381 -0.938 7.224 1.00 0.00 O ATOM 394 OE2 GLU A 49 -10.868 -2.454 6.863 1.00 0.00 O ATOM 0 H GLU A 49 -12.526 1.820 7.067 1.00 0.00 H new ATOM 0 HA GLU A 49 -12.638 1.162 9.848 1.00 0.00 H new ATOM 0 HB2 GLU A 49 -10.235 1.229 7.961 1.00 0.00 H new ATOM 0 HB3 GLU A 49 -10.346 0.320 9.456 1.00 0.00 H new ATOM 0 HG2 GLU A 49 -12.236 -1.013 8.549 1.00 0.00 H new ATOM 0 HG3 GLU A 49 -12.244 -0.054 7.082 1.00 0.00 H new ATOM 395 N LYS A 50 -11.001 3.884 9.043 1.00 0.00 N ATOM 396 CA LYS A 50 -10.346 5.081 9.640 1.00 0.00 C ATOM 397 C LYS A 50 -11.145 5.538 10.859 1.00 0.00 C ATOM 398 O LYS A 50 -10.590 5.926 11.869 1.00 0.00 O ATOM 399 CB LYS A 50 -10.302 6.209 8.607 1.00 0.00 C ATOM 400 CG LYS A 50 -9.489 7.379 9.165 1.00 0.00 C ATOM 401 CD LYS A 50 -9.463 8.518 8.144 1.00 0.00 C ATOM 402 CE LYS A 50 -8.525 9.621 8.635 1.00 0.00 C ATOM 403 NZ LYS A 50 -8.991 10.939 8.117 1.00 0.00 N ATOM 0 H LYS A 50 -11.162 3.933 8.037 1.00 0.00 H new ATOM 0 HA LYS A 50 -9.330 4.828 9.942 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -9.855 5.851 7.680 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -11.314 6.537 8.367 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -9.927 7.726 10.101 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -8.473 7.055 9.389 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -9.128 8.145 7.176 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -10.468 8.917 8.002 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -8.502 9.634 9.725 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -7.508 9.425 8.297 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -8.353 11.689 8.451 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -8.991 10.923 7.077 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -9.955 11.126 8.461 1.00 0.00 H new ATOM 404 N GLU A 51 -12.446 5.492 10.776 1.00 0.00 N ATOM 405 CA GLU A 51 -13.283 5.921 11.931 1.00 0.00 C ATOM 406 C GLU A 51 -12.920 5.083 13.158 1.00 0.00 C ATOM 407 O GLU A 51 -12.961 5.554 14.278 1.00 0.00 O ATOM 408 CB GLU A 51 -14.761 5.718 11.592 1.00 0.00 C ATOM 409 CG GLU A 51 -15.148 6.641 10.434 1.00 0.00 C ATOM 410 CD GLU A 51 -16.647 6.505 10.155 1.00 0.00 C ATOM 411 OE1 GLU A 51 -17.246 5.579 10.676 1.00 0.00 O ATOM 412 OE2 GLU A 51 -17.169 7.331 9.425 1.00 0.00 O ATOM 0 H GLU A 51 -12.966 5.176 9.957 1.00 0.00 H new ATOM 0 HA GLU A 51 -13.102 6.975 12.143 1.00 0.00 H new ATOM 0 HB2 GLU A 51 -14.944 4.678 11.320 1.00 0.00 H new ATOM 0 HB3 GLU A 51 -15.378 5.932 12.464 1.00 0.00 H new ATOM 0 HG2 GLU A 51 -14.905 7.674 10.681 1.00 0.00 H new ATOM 0 HG3 GLU A 51 -14.576 6.384 9.542 1.00 0.00 H new ATOM 413 N ALA A 52 -12.560 3.844 12.957 1.00 0.00 N ATOM 414 CA ALA A 52 -12.192 2.979 14.111 1.00 0.00 C ATOM 415 C ALA A 52 -10.952 3.554 14.799 1.00 0.00 C ATOM 416 O ALA A 52 -10.755 3.388 15.987 1.00 0.00 O ATOM 417 CB ALA A 52 -11.889 1.563 13.615 1.00 0.00 C ATOM 0 H ALA A 52 -12.505 3.395 12.043 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.021 2.944 14.818 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.620 0.931 14.461 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -12.771 1.154 13.122 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -11.060 1.595 12.908 1.00 0.00 H new ATOM 418 N LYS A 53 -10.116 4.232 14.061 1.00 0.00 N ATOM 419 CA LYS A 53 -8.891 4.821 14.671 1.00 0.00 C ATOM 420 C LYS A 53 -9.294 5.757 15.812 1.00 0.00 C ATOM 421 O LYS A 53 -8.627 5.842 16.823 1.00 0.00 O ATOM 422 CB LYS A 53 -8.121 5.610 13.610 1.00 0.00 C ATOM 423 CG LYS A 53 -7.633 4.655 12.519 1.00 0.00 C ATOM 424 CD LYS A 53 -6.757 5.422 11.526 1.00 0.00 C ATOM 425 CE LYS A 53 -6.388 4.506 10.357 1.00 0.00 C ATOM 426 NZ LYS A 53 -6.248 5.318 9.115 1.00 0.00 N ATOM 0 H LYS A 53 -10.229 4.403 13.062 1.00 0.00 H new ATOM 0 HA LYS A 53 -8.257 4.024 15.060 1.00 0.00 H new ATOM 0 HB2 LYS A 53 -8.762 6.378 13.176 1.00 0.00 H new ATOM 0 HB3 LYS A 53 -7.274 6.122 14.066 1.00 0.00 H new ATOM 0 HG2 LYS A 53 -7.067 3.837 12.964 1.00 0.00 H new ATOM 0 HG3 LYS A 53 -8.484 4.210 12.002 1.00 0.00 H new ATOM 0 HD2 LYS A 53 -7.288 6.301 11.160 1.00 0.00 H new ATOM 0 HD3 LYS A 53 -5.854 5.779 12.021 1.00 0.00 H new ATOM 0 HE2 LYS A 53 -5.455 3.984 10.570 1.00 0.00 H new ATOM 0 HE3 LYS A 53 -7.156 3.744 10.222 1.00 0.00 H new ATOM 0 HZ1 LYS A 53 -5.629 4.821 8.443 1.00 0.00 H new ATOM 0 HZ2 LYS A 53 -7.184 5.458 8.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 53 -5.833 6.242 9.349 1.00 0.00 H new