USER MOD reduce.3.24.130724 H: found=0, std=0, add=526, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 525 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 18 THR OG1 : rot -160:sc= -1.5 USER MOD Set 1.2: A 21 MET CE :methyl 172:sc= -3.55! (180deg=-2.98!) USER MOD Set 2.1: A 14 ASN : amide:sc= -3.74! K(o=-3.8!,f=-4.8) USER MOD Set 2.2: A 61 LYS NZ :NH3+ 141:sc= -0.0218 (180deg=-0.645) USER MOD Single : A 0 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 0 MET N :NH3+ 170:sc= 0 (180deg=-0.13) USER MOD Single : A 1 ASN : amide:sc= 0 X(o=0,f=-0.004) USER MOD Single : A 2 GLN :FLIP amide:sc= -0.0108 F(o=-1.1,f=-0.011) USER MOD Single : A 4 SER OG : rot -94:sc= -0.467 USER MOD Single : A 9 GLN : amide:sc= -3.94! C(o=-3.9!,f=-4.6!) USER MOD Single : A 15 THR OG1 : rot 67:sc= -2.42 USER MOD Single : A 22 MET CE :methyl -167:sc= -2.9 (180deg=-3.46!) USER MOD Single : A 23 THR OG1 : rot -118:sc= 0.305! USER MOD Single : A 24 THR OG1 : rot 152:sc= 0.911 USER MOD Single : A 28 SER OG : rot 180:sc=-0.00611 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0.149 USER MOD Single : A 42 SER OG : rot 180:sc= 0 USER MOD Single : A 43 MET CE :methyl -134:sc= -5.79! (180deg=-12.3!) USER MOD Single : A 44 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 46 ASN : amide:sc= -4.57! C(o=-4.6!,f=-5.9!) USER MOD Single : A 47 GLN :FLIP amide:sc= -1 F(o=-2.1!,f=-1) USER MOD Single : A 51 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 53 THR OG1 : rot 103:sc= 0.00824 USER MOD Single : A 54 THR OG1 : rot 158:sc= -3.71! USER MOD Single : A 56 MET CE :methyl -168:sc= -4.39! (180deg=-5.36!) USER MOD Single : A 59 MET CE :methyl -146:sc= -5.45! (180deg=-6.1!) USER MOD Single : A 63 TYR OH : rot -35:sc= 1.21 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 0 0.139 0.011 0.525 1.00 14.33 N ATOM 2 CA MET A 0 0.293 0.860 -0.644 1.00 15.53 C ATOM 3 C MET A 0 0.188 0.043 -1.933 1.00 14.12 C ATOM 4 O MET A 0 0.980 0.228 -2.856 1.00 13.05 O ATOM 5 CB MET A 0 1.652 1.560 -0.592 1.00 24.34 C ATOM 6 CG MET A 0 2.794 0.546 -0.695 1.00 1.34 C ATOM 7 SD MET A 0 4.221 1.309 -1.447 1.00 44.25 S ATOM 8 CE MET A 0 5.254 1.524 -0.007 1.00 60.14 C ATOM 0 H1 MET A 0 0.381 0.551 1.380 1.00 14.33 H new ATOM 0 H2 MET A 0 -0.846 -0.316 0.589 1.00 14.33 H new ATOM 0 H3 MET A 0 0.772 -0.810 0.444 1.00 14.33 H new ATOM 0 HA MET A 0 -0.507 1.600 -0.639 1.00 15.53 H new ATOM 0 HB2 MET A 0 1.726 2.280 -1.407 1.00 24.34 H new ATOM 0 HB3 MET A 0 1.741 2.121 0.338 1.00 24.34 H new ATOM 0 HG2 MET A 0 3.051 0.173 0.297 1.00 1.34 H new ATOM 0 HG3 MET A 0 2.477 -0.313 -1.286 1.00 1.34 H new ATOM 0 HE1 MET A 0 6.194 1.992 -0.300 1.00 60.14 H new ATOM 0 HE2 MET A 0 4.742 2.159 0.716 1.00 60.14 H new ATOM 0 HE3 MET A 0 5.458 0.552 0.443 1.00 60.14 H new ATOM 18 N ASN A 1 -0.797 -0.844 -1.955 1.00 43.51 N ATOM 19 CA ASN A 1 -1.015 -1.690 -3.116 1.00 14.12 C ATOM 20 C ASN A 1 -1.774 -0.898 -4.183 1.00 61.41 C ATOM 21 O ASN A 1 -2.810 -0.300 -3.898 1.00 71.10 O ATOM 22 CB ASN A 1 -1.854 -2.917 -2.752 1.00 63.05 C ATOM 23 CG ASN A 1 -1.032 -3.922 -1.942 1.00 53.12 C ATOM 24 OD1 ASN A 1 -0.055 -4.484 -2.409 1.00 12.00 O ATOM 25 ND2 ASN A 1 -1.482 -4.116 -0.706 1.00 3.23 N ATOM 0 H ASN A 1 -1.452 -0.995 -1.188 1.00 43.51 H new ATOM 0 HA ASN A 1 -0.042 -2.014 -3.486 1.00 14.12 H new ATOM 0 HB2 ASN A 1 -2.727 -2.608 -2.177 1.00 63.05 H new ATOM 0 HB3 ASN A 1 -2.223 -3.392 -3.661 1.00 63.05 H new ATOM 0 HD21 ASN A 1 -1.003 -4.768 -0.085 1.00 3.23 H new ATOM 0 HD22 ASN A 1 -2.306 -3.612 -0.378 1.00 3.23 H new ATOM 32 N GLN A 2 -1.228 -0.921 -5.390 1.00 40.41 N ATOM 33 CA GLN A 2 -1.840 -0.212 -6.501 1.00 72.45 C ATOM 34 C GLN A 2 -3.333 -0.538 -6.580 1.00 51.34 C ATOM 35 O GLN A 2 -3.711 -1.685 -6.813 1.00 44.03 O ATOM 36 CB GLN A 2 -1.136 -0.545 -7.818 1.00 71.54 C ATOM 37 CG GLN A 2 -1.938 -0.029 -9.015 1.00 3.43 C ATOM 38 CD GLN A 2 -2.020 1.499 -9.000 1.00 54.24 C ATOM 39 OE1 GLN A 2 -3.248 1.973 -8.809 1.00 5.44 O flip ATOM 40 NE2 GLN A 2 -1.035 2.201 -9.154 1.00 33.35 N flip ATOM 0 H GLN A 2 -0.369 -1.419 -5.623 1.00 40.41 H new ATOM 0 HA GLN A 2 -1.730 0.859 -6.329 1.00 72.45 H new ATOM 0 HB2 GLN A 2 -0.140 -0.101 -7.824 1.00 71.54 H new ATOM 0 HB3 GLN A 2 -1.005 -1.624 -7.902 1.00 71.54 H new ATOM 0 HG2 GLN A 2 -1.471 -0.363 -9.942 1.00 3.43 H new ATOM 0 HG3 GLN A 2 -2.943 -0.451 -8.994 1.00 3.43 H new ATOM 0 HE21 GLN A 2 -0.120 1.772 -9.296 1.00 33.35 H new ATOM 0 HE22 GLN A 2 -1.126 3.217 -9.141 1.00 33.35 H new ATOM 49 N GLU A 3 -4.142 0.493 -6.382 1.00 20.30 N ATOM 50 CA GLU A 3 -5.585 0.331 -6.428 1.00 33.23 C ATOM 51 C GLU A 3 -6.119 0.717 -7.809 1.00 31.43 C ATOM 52 O GLU A 3 -6.017 1.872 -8.217 1.00 42.40 O ATOM 53 CB GLU A 3 -6.264 1.151 -5.329 1.00 31.21 C ATOM 54 CG GLU A 3 -6.661 0.263 -4.148 1.00 21.31 C ATOM 55 CD GLU A 3 -7.775 0.911 -3.324 1.00 54.33 C ATOM 56 OE1 GLU A 3 -8.145 2.066 -3.583 1.00 12.34 O ATOM 57 OE2 GLU A 3 -8.262 0.171 -2.387 1.00 74.41 O ATOM 0 H GLU A 3 -3.825 1.443 -6.189 1.00 20.30 H new ATOM 0 HA GLU A 3 -5.819 -0.719 -6.250 1.00 33.23 H new ATOM 0 HB2 GLU A 3 -5.590 1.937 -4.987 1.00 31.21 H new ATOM 0 HB3 GLU A 3 -7.149 1.643 -5.732 1.00 31.21 H new ATOM 0 HG2 GLU A 3 -6.993 -0.708 -4.514 1.00 21.31 H new ATOM 0 HG3 GLU A 3 -5.792 0.085 -3.514 1.00 21.31 H new ATOM 65 N SER A 4 -6.677 -0.273 -8.490 1.00 32.31 N ATOM 66 CA SER A 4 -7.227 -0.052 -9.816 1.00 53.05 C ATOM 67 C SER A 4 -8.751 0.065 -9.738 1.00 61.13 C ATOM 68 O SER A 4 -9.378 -0.527 -8.862 1.00 34.14 O ATOM 69 CB SER A 4 -6.830 -1.178 -10.772 1.00 63.35 C ATOM 70 OG SER A 4 -5.423 -1.407 -10.773 1.00 11.42 O ATOM 0 H SER A 4 -6.760 -1.230 -8.148 1.00 32.31 H new ATOM 0 HA SER A 4 -6.817 0.880 -10.205 1.00 53.05 H new ATOM 0 HB2 SER A 4 -7.346 -2.095 -10.487 1.00 63.35 H new ATOM 0 HB3 SER A 4 -7.157 -0.929 -11.781 1.00 63.35 H new ATOM 0 HG SER A 4 -5.009 -0.895 -11.498 1.00 11.42 H new ATOM 76 N VAL A 5 -9.302 0.833 -10.667 1.00 62.30 N ATOM 77 CA VAL A 5 -10.740 1.035 -10.714 1.00 61.24 C ATOM 78 C VAL A 5 -11.433 -0.311 -10.934 1.00 61.40 C ATOM 79 O VAL A 5 -11.016 -1.097 -11.784 1.00 1.12 O ATOM 80 CB VAL A 5 -11.088 2.068 -11.787 1.00 50.55 C ATOM 81 CG1 VAL A 5 -12.602 2.167 -11.983 1.00 12.54 C ATOM 82 CG2 VAL A 5 -10.488 3.434 -11.448 1.00 13.51 C ATOM 0 H VAL A 5 -8.778 1.323 -11.393 1.00 62.30 H new ATOM 0 HA VAL A 5 -11.100 1.435 -9.766 1.00 61.24 H new ATOM 0 HB VAL A 5 -10.650 1.734 -12.728 1.00 50.55 H new ATOM 0 HG11 VAL A 5 -12.822 2.908 -12.751 1.00 12.54 H new ATOM 0 HG12 VAL A 5 -12.993 1.198 -12.292 1.00 12.54 H new ATOM 0 HG13 VAL A 5 -13.071 2.466 -11.046 1.00 12.54 H new ATOM 0 HG21 VAL A 5 -10.750 4.150 -12.227 1.00 13.51 H new ATOM 0 HG22 VAL A 5 -10.882 3.777 -10.492 1.00 13.51 H new ATOM 0 HG23 VAL A 5 -9.403 3.349 -11.384 1.00 13.51 H new ATOM 92 N VAL A 6 -12.479 -0.537 -10.153 1.00 53.52 N ATOM 93 CA VAL A 6 -13.234 -1.774 -10.252 1.00 31.34 C ATOM 94 C VAL A 6 -14.725 -1.450 -10.367 1.00 1.45 C ATOM 95 O VAL A 6 -15.274 -0.732 -9.532 1.00 44.41 O ATOM 96 CB VAL A 6 -12.910 -2.681 -9.063 1.00 24.13 C ATOM 97 CG1 VAL A 6 -13.669 -4.006 -9.160 1.00 42.25 C ATOM 98 CG2 VAL A 6 -11.403 -2.920 -8.950 1.00 45.45 C ATOM 0 H VAL A 6 -12.821 0.116 -9.448 1.00 53.52 H new ATOM 0 HA VAL A 6 -12.951 -2.323 -11.150 1.00 31.34 H new ATOM 0 HB VAL A 6 -13.238 -2.173 -8.156 1.00 24.13 H new ATOM 0 HG11 VAL A 6 -13.420 -4.631 -8.303 1.00 42.25 H new ATOM 0 HG12 VAL A 6 -14.741 -3.811 -9.168 1.00 42.25 H new ATOM 0 HG13 VAL A 6 -13.387 -4.521 -10.078 1.00 42.25 H new ATOM 0 HG21 VAL A 6 -11.200 -3.568 -8.097 1.00 45.45 H new ATOM 0 HG22 VAL A 6 -11.041 -3.396 -9.861 1.00 45.45 H new ATOM 0 HG23 VAL A 6 -10.893 -1.967 -8.811 1.00 45.45 H new ATOM 108 N ALA A 7 -15.338 -1.994 -11.407 1.00 61.32 N ATOM 109 CA ALA A 7 -16.754 -1.772 -11.642 1.00 54.41 C ATOM 110 C ALA A 7 -17.531 -2.054 -10.354 1.00 40.43 C ATOM 111 O ALA A 7 -17.724 -3.210 -9.982 1.00 73.03 O ATOM 112 CB ALA A 7 -17.222 -2.645 -12.808 1.00 52.11 C ATOM 0 H ALA A 7 -14.879 -2.589 -12.097 1.00 61.32 H new ATOM 0 HA ALA A 7 -16.939 -0.734 -11.918 1.00 54.41 H new ATOM 0 HB1 ALA A 7 -18.285 -2.478 -12.984 1.00 52.11 H new ATOM 0 HB2 ALA A 7 -16.660 -2.385 -13.705 1.00 52.11 H new ATOM 0 HB3 ALA A 7 -17.055 -3.695 -12.567 1.00 52.11 H new ATOM 118 N ALA A 8 -17.955 -0.977 -9.709 1.00 52.01 N ATOM 119 CA ALA A 8 -18.706 -1.094 -8.471 1.00 34.12 C ATOM 120 C ALA A 8 -20.026 -1.818 -8.746 1.00 62.12 C ATOM 121 O ALA A 8 -20.584 -2.459 -7.857 1.00 3.01 O ATOM 122 CB ALA A 8 -18.919 0.296 -7.869 1.00 40.51 C ATOM 0 H ALA A 8 -17.793 -0.019 -10.021 1.00 52.01 H new ATOM 0 HA ALA A 8 -18.152 -1.684 -7.741 1.00 34.12 H new ATOM 0 HB1 ALA A 8 -19.483 0.208 -6.940 1.00 40.51 H new ATOM 0 HB2 ALA A 8 -17.952 0.756 -7.665 1.00 40.51 H new ATOM 0 HB3 ALA A 8 -19.474 0.916 -8.573 1.00 40.51 H new ATOM 128 N GLN A 9 -20.486 -1.692 -9.982 1.00 54.30 N ATOM 129 CA GLN A 9 -21.730 -2.326 -10.386 1.00 22.12 C ATOM 130 C GLN A 9 -21.728 -2.586 -11.894 1.00 22.15 C ATOM 131 O GLN A 9 -20.789 -2.205 -12.592 1.00 34.05 O ATOM 132 CB GLN A 9 -22.936 -1.478 -9.977 1.00 61.03 C ATOM 133 CG GLN A 9 -22.637 0.014 -10.137 1.00 65.11 C ATOM 134 CD GLN A 9 -23.885 0.856 -9.864 1.00 64.21 C ATOM 135 OE1 GLN A 9 -24.090 1.375 -8.779 1.00 63.21 O ATOM 136 NE2 GLN A 9 -24.704 0.962 -10.906 1.00 73.21 N ATOM 0 H GLN A 9 -20.020 -1.160 -10.717 1.00 54.30 H new ATOM 0 HA GLN A 9 -21.810 -3.284 -9.872 1.00 22.12 H new ATOM 0 HB2 GLN A 9 -23.798 -1.747 -10.587 1.00 61.03 H new ATOM 0 HB3 GLN A 9 -23.200 -1.691 -8.941 1.00 61.03 H new ATOM 0 HG2 GLN A 9 -21.841 0.304 -9.451 1.00 65.11 H new ATOM 0 HG3 GLN A 9 -22.276 0.210 -11.147 1.00 65.11 H new ATOM 0 HE21 GLN A 9 -24.472 0.502 -11.786 1.00 73.21 H new ATOM 0 HE22 GLN A 9 -25.565 1.504 -10.825 1.00 73.21 H new ATOM 145 N LEU A 10 -22.789 -3.233 -12.352 1.00 34.24 N ATOM 146 CA LEU A 10 -22.922 -3.549 -13.764 1.00 1.42 C ATOM 147 C LEU A 10 -22.830 -2.258 -14.581 1.00 23.41 C ATOM 148 O LEU A 10 -23.643 -1.352 -14.410 1.00 11.31 O ATOM 149 CB LEU A 10 -24.203 -4.347 -14.017 1.00 4.43 C ATOM 150 CG LEU A 10 -24.508 -4.678 -15.479 1.00 34.43 C ATOM 151 CD1 LEU A 10 -23.774 -5.947 -15.918 1.00 55.20 C ATOM 152 CD2 LEU A 10 -26.017 -4.778 -15.714 1.00 61.32 C ATOM 0 H LEU A 10 -23.565 -3.547 -11.770 1.00 34.24 H new ATOM 0 HA LEU A 10 -22.104 -4.192 -14.089 1.00 1.42 H new ATOM 0 HB2 LEU A 10 -24.142 -5.281 -13.459 1.00 4.43 H new ATOM 0 HB3 LEU A 10 -25.044 -3.786 -13.609 1.00 4.43 H new ATOM 0 HG LEU A 10 -24.138 -3.862 -16.099 1.00 34.43 H new ATOM 0 HD11 LEU A 10 -24.008 -6.160 -16.961 1.00 55.20 H new ATOM 0 HD12 LEU A 10 -22.699 -5.802 -15.809 1.00 55.20 H new ATOM 0 HD13 LEU A 10 -24.091 -6.784 -15.297 1.00 55.20 H new ATOM 0 HD21 LEU A 10 -26.207 -5.014 -16.761 1.00 61.32 H new ATOM 0 HD22 LEU A 10 -26.432 -5.564 -15.083 1.00 61.32 H new ATOM 0 HD23 LEU A 10 -26.488 -3.827 -15.465 1.00 61.32 H new ATOM 164 N ILE A 11 -21.832 -2.217 -15.451 1.00 42.04 N ATOM 165 CA ILE A 11 -21.623 -1.053 -16.295 1.00 42.25 C ATOM 166 C ILE A 11 -21.790 -1.455 -17.762 1.00 60.11 C ATOM 167 O ILE A 11 -20.914 -2.099 -18.337 1.00 23.33 O ATOM 168 CB ILE A 11 -20.273 -0.402 -15.986 1.00 61.22 C ATOM 169 CG1 ILE A 11 -19.879 -0.625 -14.525 1.00 23.52 C ATOM 170 CG2 ILE A 11 -20.282 1.082 -16.357 1.00 40.12 C ATOM 171 CD1 ILE A 11 -18.698 0.266 -14.133 1.00 74.20 C ATOM 0 H ILE A 11 -21.159 -2.971 -15.590 1.00 42.04 H new ATOM 0 HA ILE A 11 -22.374 -0.291 -16.085 1.00 42.25 H new ATOM 0 HB ILE A 11 -19.513 -0.883 -16.602 1.00 61.22 H new ATOM 0 HG12 ILE A 11 -20.730 -0.412 -13.879 1.00 23.52 H new ATOM 0 HG13 ILE A 11 -19.616 -1.672 -14.371 1.00 23.52 H new ATOM 0 HG21 ILE A 11 -19.311 1.520 -16.127 1.00 40.12 H new ATOM 0 HG22 ILE A 11 -20.486 1.189 -17.422 1.00 40.12 H new ATOM 0 HG23 ILE A 11 -21.056 1.595 -15.786 1.00 40.12 H new ATOM 0 HD11 ILE A 11 -18.438 0.088 -13.090 1.00 74.20 H new ATOM 0 HD12 ILE A 11 -17.841 0.033 -14.765 1.00 74.20 H new ATOM 0 HD13 ILE A 11 -18.972 1.313 -14.265 1.00 74.20 H new ATOM 183 N PRO A 12 -22.951 -1.048 -18.341 1.00 13.10 N ATOM 184 CA PRO A 12 -23.245 -1.359 -19.730 1.00 4.14 C ATOM 185 C PRO A 12 -22.425 -0.478 -20.674 1.00 45.31 C ATOM 186 O PRO A 12 -21.910 0.563 -20.268 1.00 13.23 O ATOM 187 CB PRO A 12 -24.743 -1.148 -19.872 1.00 32.21 C ATOM 188 CG PRO A 12 -25.157 -0.285 -18.691 1.00 44.43 C ATOM 189 CD PRO A 12 -24.012 -0.283 -17.691 1.00 61.43 C ATOM 0 HA PRO A 12 -22.973 -2.380 -19.999 1.00 4.14 H new ATOM 0 HB2 PRO A 12 -24.980 -0.658 -20.816 1.00 32.21 H new ATOM 0 HB3 PRO A 12 -25.274 -2.100 -19.865 1.00 32.21 H new ATOM 0 HG2 PRO A 12 -25.379 0.730 -19.019 1.00 44.43 H new ATOM 0 HG3 PRO A 12 -26.064 -0.677 -18.231 1.00 44.43 H new ATOM 0 HD2 PRO A 12 -23.686 0.732 -17.464 1.00 61.43 H new ATOM 0 HD3 PRO A 12 -24.309 -0.741 -16.748 1.00 61.43 H new ATOM 197 N ILE A 13 -22.328 -0.927 -21.917 1.00 30.13 N ATOM 198 CA ILE A 13 -21.579 -0.192 -22.922 1.00 74.52 C ATOM 199 C ILE A 13 -22.278 1.140 -23.200 1.00 33.12 C ATOM 200 O ILE A 13 -23.505 1.201 -23.257 1.00 15.21 O ATOM 201 CB ILE A 13 -21.375 -1.052 -24.172 1.00 5.54 C ATOM 202 CG1 ILE A 13 -20.490 -0.333 -25.192 1.00 43.21 C ATOM 203 CG2 ILE A 13 -22.717 -1.473 -24.773 1.00 23.40 C ATOM 204 CD1 ILE A 13 -20.579 -1.004 -26.564 1.00 64.21 C ATOM 0 H ILE A 13 -22.756 -1.791 -22.251 1.00 30.13 H new ATOM 0 HA ILE A 13 -20.579 0.043 -22.557 1.00 74.52 H new ATOM 0 HB ILE A 13 -20.854 -1.964 -23.879 1.00 5.54 H new ATOM 0 HG12 ILE A 13 -20.796 0.710 -25.273 1.00 43.21 H new ATOM 0 HG13 ILE A 13 -19.456 -0.336 -24.848 1.00 43.21 H new ATOM 0 HG21 ILE A 13 -22.543 -2.083 -25.660 1.00 23.40 H new ATOM 0 HG22 ILE A 13 -23.279 -2.051 -24.039 1.00 23.40 H new ATOM 0 HG23 ILE A 13 -23.287 -0.586 -25.049 1.00 23.40 H new ATOM 0 HD11 ILE A 13 -19.941 -0.474 -27.271 1.00 64.21 H new ATOM 0 HD12 ILE A 13 -20.250 -2.040 -26.484 1.00 64.21 H new ATOM 0 HD13 ILE A 13 -21.610 -0.977 -26.916 1.00 64.21 H new ATOM 216 N ASN A 14 -21.467 2.174 -23.365 1.00 42.11 N ATOM 217 CA ASN A 14 -21.992 3.502 -23.635 1.00 61.34 C ATOM 218 C ASN A 14 -22.691 4.034 -22.383 1.00 33.42 C ATOM 219 O ASN A 14 -23.637 4.814 -22.480 1.00 3.53 O ATOM 220 CB ASN A 14 -23.017 3.468 -24.771 1.00 2.02 C ATOM 221 CG ASN A 14 -22.550 2.551 -25.903 1.00 53.34 C ATOM 222 OD1 ASN A 14 -21.626 2.853 -26.640 1.00 62.12 O ATOM 223 ND2 ASN A 14 -23.240 1.418 -26.001 1.00 4.12 N ATOM 0 H ASN A 14 -20.450 2.119 -23.317 1.00 42.11 H new ATOM 0 HA ASN A 14 -21.158 4.143 -23.921 1.00 61.34 H new ATOM 0 HB2 ASN A 14 -23.977 3.121 -24.389 1.00 2.02 H new ATOM 0 HB3 ASN A 14 -23.173 4.476 -25.155 1.00 2.02 H new ATOM 0 HD21 ASN A 14 -23.007 0.740 -26.726 1.00 4.12 H new ATOM 0 HD22 ASN A 14 -24.003 1.227 -25.351 1.00 4.12 H new ATOM 230 N THR A 15 -22.200 3.589 -21.236 1.00 5.34 N ATOM 231 CA THR A 15 -22.765 4.011 -19.965 1.00 75.34 C ATOM 232 C THR A 15 -21.830 4.999 -19.266 1.00 41.15 C ATOM 233 O THR A 15 -20.739 4.629 -18.837 1.00 23.54 O ATOM 234 CB THR A 15 -23.054 2.757 -19.137 1.00 43.11 C ATOM 235 OG1 THR A 15 -23.849 1.947 -19.998 1.00 40.14 O ATOM 236 CG2 THR A 15 -23.968 3.041 -17.944 1.00 11.24 C ATOM 0 H THR A 15 -21.417 2.940 -21.160 1.00 5.34 H new ATOM 0 HA THR A 15 -23.703 4.547 -20.108 1.00 75.34 H new ATOM 0 HB THR A 15 -22.115 2.333 -18.782 1.00 43.11 H new ATOM 0 HG1 THR A 15 -23.307 1.646 -20.757 1.00 40.14 H new ATOM 0 HG21 THR A 15 -24.141 2.118 -17.390 1.00 11.24 H new ATOM 0 HG22 THR A 15 -23.495 3.773 -17.290 1.00 11.24 H new ATOM 0 HG23 THR A 15 -24.920 3.434 -18.301 1.00 11.24 H new ATOM 244 N ALA A 16 -22.291 6.238 -19.175 1.00 34.44 N ATOM 245 CA ALA A 16 -21.510 7.282 -18.535 1.00 45.12 C ATOM 246 C ALA A 16 -21.103 6.823 -17.133 1.00 52.24 C ATOM 247 O ALA A 16 -21.944 6.723 -16.241 1.00 61.32 O ATOM 248 CB ALA A 16 -22.316 8.582 -18.512 1.00 40.12 C ATOM 0 H ALA A 16 -23.196 6.542 -19.534 1.00 34.44 H new ATOM 0 HA ALA A 16 -20.596 7.475 -19.096 1.00 45.12 H new ATOM 0 HB1 ALA A 16 -21.730 9.365 -18.032 1.00 40.12 H new ATOM 0 HB2 ALA A 16 -22.553 8.881 -19.533 1.00 40.12 H new ATOM 0 HB3 ALA A 16 -23.240 8.427 -17.955 1.00 40.12 H new ATOM 254 N LEU A 17 -19.814 6.557 -16.983 1.00 50.01 N ATOM 255 CA LEU A 17 -19.286 6.111 -15.705 1.00 1.21 C ATOM 256 C LEU A 17 -19.668 7.120 -14.620 1.00 53.11 C ATOM 257 O LEU A 17 -19.807 8.311 -14.896 1.00 31.31 O ATOM 258 CB LEU A 17 -17.780 5.858 -15.806 1.00 74.02 C ATOM 259 CG LEU A 17 -17.353 4.710 -16.723 1.00 55.25 C ATOM 260 CD1 LEU A 17 -15.857 4.783 -17.032 1.00 61.23 C ATOM 261 CD2 LEU A 17 -17.751 3.357 -16.130 1.00 53.21 C ATOM 0 H LEU A 17 -19.120 6.642 -17.725 1.00 50.01 H new ATOM 0 HA LEU A 17 -19.728 5.156 -15.423 1.00 1.21 H new ATOM 0 HB2 LEU A 17 -17.301 6.773 -16.155 1.00 74.02 H new ATOM 0 HB3 LEU A 17 -17.397 5.659 -14.805 1.00 74.02 H new ATOM 0 HG LEU A 17 -17.883 4.814 -17.670 1.00 55.25 H new ATOM 0 HD11 LEU A 17 -15.580 3.956 -17.685 1.00 61.23 H new ATOM 0 HD12 LEU A 17 -15.634 5.728 -17.528 1.00 61.23 H new ATOM 0 HD13 LEU A 17 -15.290 4.718 -16.103 1.00 61.23 H new ATOM 0 HD21 LEU A 17 -17.436 2.558 -16.802 1.00 53.21 H new ATOM 0 HD22 LEU A 17 -17.268 3.228 -15.161 1.00 53.21 H new ATOM 0 HD23 LEU A 17 -18.833 3.319 -16.004 1.00 53.21 H new ATOM 273 N THR A 18 -19.828 6.607 -13.409 1.00 63.32 N ATOM 274 CA THR A 18 -20.191 7.448 -12.282 1.00 33.04 C ATOM 275 C THR A 18 -19.486 6.970 -11.011 1.00 13.14 C ATOM 276 O THR A 18 -19.016 5.835 -10.947 1.00 11.35 O ATOM 277 CB THR A 18 -21.717 7.450 -12.166 1.00 42.30 C ATOM 278 OG1 THR A 18 -22.090 6.108 -12.466 1.00 42.22 O ATOM 279 CG2 THR A 18 -22.386 8.278 -13.265 1.00 71.34 C ATOM 0 H THR A 18 -19.713 5.619 -13.184 1.00 63.32 H new ATOM 0 HA THR A 18 -19.860 8.476 -12.433 1.00 33.04 H new ATOM 0 HB THR A 18 -22.006 7.840 -11.190 1.00 42.30 H new ATOM 0 HG1 THR A 18 -23.035 6.081 -12.726 1.00 42.22 H new ATOM 0 HG21 THR A 18 -23.468 8.246 -13.137 1.00 71.34 H new ATOM 0 HG22 THR A 18 -22.043 9.311 -13.202 1.00 71.34 H new ATOM 0 HG23 THR A 18 -22.124 7.868 -14.240 1.00 71.34 H new ATOM 287 N LEU A 19 -19.435 7.860 -10.030 1.00 52.15 N ATOM 288 CA LEU A 19 -18.796 7.544 -8.765 1.00 25.52 C ATOM 289 C LEU A 19 -19.593 6.447 -8.055 1.00 51.43 C ATOM 290 O LEU A 19 -19.104 5.833 -7.109 1.00 30.23 O ATOM 291 CB LEU A 19 -18.611 8.810 -7.926 1.00 64.04 C ATOM 292 CG LEU A 19 -17.603 8.714 -6.779 1.00 64.33 C ATOM 293 CD1 LEU A 19 -16.286 8.099 -7.257 1.00 23.31 C ATOM 294 CD2 LEU A 19 -17.392 10.078 -6.119 1.00 20.43 C ATOM 0 H LEU A 19 -19.826 8.800 -10.087 1.00 52.15 H new ATOM 0 HA LEU A 19 -17.793 7.152 -8.933 1.00 25.52 H new ATOM 0 HB2 LEU A 19 -18.302 9.619 -8.588 1.00 64.04 H new ATOM 0 HB3 LEU A 19 -19.579 9.091 -7.510 1.00 64.04 H new ATOM 0 HG LEU A 19 -18.012 8.048 -6.019 1.00 64.33 H new ATOM 0 HD11 LEU A 19 -15.587 8.042 -6.423 1.00 23.31 H new ATOM 0 HD12 LEU A 19 -16.472 7.097 -7.644 1.00 23.31 H new ATOM 0 HD13 LEU A 19 -15.860 8.719 -8.046 1.00 23.31 H new ATOM 0 HD21 LEU A 19 -16.671 9.982 -5.307 1.00 20.43 H new ATOM 0 HD22 LEU A 19 -17.014 10.785 -6.858 1.00 20.43 H new ATOM 0 HD23 LEU A 19 -18.340 10.440 -5.721 1.00 20.43 H new ATOM 306 N VAL A 20 -20.808 6.236 -8.540 1.00 63.23 N ATOM 307 CA VAL A 20 -21.678 5.224 -7.964 1.00 42.44 C ATOM 308 C VAL A 20 -21.585 3.944 -8.797 1.00 53.21 C ATOM 309 O VAL A 20 -22.265 2.961 -8.508 1.00 32.22 O ATOM 310 CB VAL A 20 -23.105 5.764 -7.854 1.00 34.33 C ATOM 311 CG1 VAL A 20 -23.104 7.243 -7.462 1.00 21.43 C ATOM 312 CG2 VAL A 20 -23.878 5.542 -9.156 1.00 5.31 C ATOM 0 H VAL A 20 -21.210 6.748 -9.325 1.00 63.23 H new ATOM 0 HA VAL A 20 -21.359 4.976 -6.952 1.00 42.44 H new ATOM 0 HB VAL A 20 -23.612 5.209 -7.065 1.00 34.33 H new ATOM 0 HG11 VAL A 20 -24.131 7.601 -7.391 1.00 21.43 H new ATOM 0 HG12 VAL A 20 -22.610 7.364 -6.498 1.00 21.43 H new ATOM 0 HG13 VAL A 20 -22.570 7.819 -8.218 1.00 21.43 H new ATOM 0 HG21 VAL A 20 -24.889 5.935 -9.050 1.00 5.31 H new ATOM 0 HG22 VAL A 20 -23.372 6.057 -9.972 1.00 5.31 H new ATOM 0 HG23 VAL A 20 -23.924 4.475 -9.374 1.00 5.31 H new ATOM 322 N MET A 21 -20.738 3.998 -9.814 1.00 72.14 N ATOM 323 CA MET A 21 -20.548 2.855 -10.691 1.00 21.20 C ATOM 324 C MET A 21 -19.069 2.470 -10.778 1.00 15.43 C ATOM 325 O MET A 21 -18.689 1.633 -11.595 1.00 1.43 O ATOM 326 CB MET A 21 -21.071 3.191 -12.089 1.00 31.41 C ATOM 327 CG MET A 21 -22.601 3.188 -12.117 1.00 1.10 C ATOM 328 SD MET A 21 -23.181 2.815 -13.763 1.00 63.24 S ATOM 329 CE MET A 21 -22.070 3.833 -14.721 1.00 74.32 C ATOM 0 H MET A 21 -20.175 4.815 -10.050 1.00 72.14 H new ATOM 0 HA MET A 21 -21.101 2.010 -10.280 1.00 21.20 H new ATOM 0 HB2 MET A 21 -20.700 4.169 -12.395 1.00 31.41 H new ATOM 0 HB3 MET A 21 -20.689 2.466 -12.808 1.00 31.41 H new ATOM 0 HG2 MET A 21 -22.984 2.451 -11.412 1.00 1.10 H new ATOM 0 HG3 MET A 21 -22.981 4.159 -11.800 1.00 1.10 H new ATOM 0 HE1 MET A 21 -22.198 3.614 -15.781 1.00 74.32 H new ATOM 0 HE2 MET A 21 -22.291 4.885 -14.539 1.00 74.32 H new ATOM 0 HE3 MET A 21 -21.041 3.623 -14.429 1.00 74.32 H new ATOM 339 N MET A 22 -18.276 3.100 -9.924 1.00 11.42 N ATOM 340 CA MET A 22 -16.848 2.835 -9.894 1.00 21.24 C ATOM 341 C MET A 22 -16.334 2.763 -8.454 1.00 62.33 C ATOM 342 O MET A 22 -16.962 3.294 -7.540 1.00 22.12 O ATOM 343 CB MET A 22 -16.107 3.942 -10.646 1.00 24.12 C ATOM 344 CG MET A 22 -16.475 3.937 -12.131 1.00 25.20 C ATOM 345 SD MET A 22 -15.444 5.093 -13.019 1.00 73.41 S ATOM 346 CE MET A 22 -16.239 6.626 -12.569 1.00 33.02 C ATOM 0 H MET A 22 -18.595 3.793 -9.248 1.00 11.42 H new ATOM 0 HA MET A 22 -16.666 1.873 -10.374 1.00 21.24 H new ATOM 0 HB2 MET A 22 -16.353 4.910 -10.210 1.00 24.12 H new ATOM 0 HB3 MET A 22 -15.031 3.806 -10.534 1.00 24.12 H new ATOM 0 HG2 MET A 22 -16.350 2.935 -12.542 1.00 25.20 H new ATOM 0 HG3 MET A 22 -17.525 4.203 -12.255 1.00 25.20 H new ATOM 0 HE1 MET A 22 -15.874 7.427 -13.212 1.00 33.02 H new ATOM 0 HE2 MET A 22 -17.318 6.526 -12.691 1.00 33.02 H new ATOM 0 HE3 MET A 22 -16.012 6.862 -11.530 1.00 33.02 H new ATOM 356 N THR A 23 -15.197 2.101 -8.298 1.00 45.24 N ATOM 357 CA THR A 23 -14.591 1.953 -6.986 1.00 21.30 C ATOM 358 C THR A 23 -13.116 1.568 -7.120 1.00 33.44 C ATOM 359 O THR A 23 -12.548 1.640 -8.208 1.00 52.31 O ATOM 360 CB THR A 23 -15.416 0.934 -6.197 1.00 61.01 C ATOM 361 OG1 THR A 23 -14.776 0.880 -4.925 1.00 34.11 O ATOM 362 CG2 THR A 23 -15.273 -0.487 -6.747 1.00 0.23 C ATOM 0 H THR A 23 -14.679 1.661 -9.059 1.00 45.24 H new ATOM 0 HA THR A 23 -14.600 2.895 -6.437 1.00 21.30 H new ATOM 0 HB THR A 23 -16.466 1.226 -6.214 1.00 61.01 H new ATOM 0 HG1 THR A 23 -14.437 -0.026 -4.768 1.00 34.11 H new ATOM 0 HG21 THR A 23 -15.878 -1.170 -6.151 1.00 0.23 H new ATOM 0 HG22 THR A 23 -15.611 -0.512 -7.783 1.00 0.23 H new ATOM 0 HG23 THR A 23 -14.228 -0.792 -6.699 1.00 0.23 H new ATOM 370 N THR A 24 -12.539 1.166 -5.997 1.00 5.31 N ATOM 371 CA THR A 24 -11.141 0.770 -5.975 1.00 21.42 C ATOM 372 C THR A 24 -10.984 -0.594 -5.298 1.00 51.34 C ATOM 373 O THR A 24 -11.761 -0.944 -4.411 1.00 52.35 O ATOM 374 CB THR A 24 -10.344 1.882 -5.291 1.00 13.42 C ATOM 375 OG1 THR A 24 -10.696 1.765 -3.915 1.00 3.52 O ATOM 376 CG2 THR A 24 -10.833 3.278 -5.683 1.00 11.32 C ATOM 0 H THR A 24 -13.014 1.106 -5.096 1.00 5.31 H new ATOM 0 HA THR A 24 -10.750 0.645 -6.985 1.00 21.42 H new ATOM 0 HB THR A 24 -9.289 1.782 -5.545 1.00 13.42 H new ATOM 0 HG1 THR A 24 -9.954 2.083 -3.359 1.00 3.52 H new ATOM 0 HG21 THR A 24 -10.234 4.031 -5.170 1.00 11.32 H new ATOM 0 HG22 THR A 24 -10.735 3.409 -6.761 1.00 11.32 H new ATOM 0 HG23 THR A 24 -11.879 3.391 -5.398 1.00 11.32 H new ATOM 384 N ARG A 25 -9.974 -1.326 -5.743 1.00 62.50 N ATOM 385 CA ARG A 25 -9.705 -2.644 -5.192 1.00 11.22 C ATOM 386 C ARG A 25 -8.503 -3.278 -5.894 1.00 3.11 C ATOM 387 O ARG A 25 -8.395 -3.225 -7.118 1.00 74.11 O ATOM 388 CB ARG A 25 -10.919 -3.563 -5.344 1.00 41.42 C ATOM 389 CG ARG A 25 -11.070 -4.478 -4.127 1.00 51.33 C ATOM 390 CD ARG A 25 -10.435 -5.845 -4.387 1.00 70.23 C ATOM 391 NE ARG A 25 -11.066 -6.869 -3.524 1.00 40.42 N ATOM 392 CZ ARG A 25 -10.459 -8.010 -3.136 1.00 62.22 C ATOM 393 NH1 ARG A 25 -9.198 -8.284 -3.532 1.00 64.21 N ATOM 394 NH2 ARG A 25 -11.117 -8.855 -2.364 1.00 1.51 N ATOM 0 H ARG A 25 -9.332 -1.032 -6.479 1.00 62.50 H new ATOM 0 HA ARG A 25 -9.487 -2.521 -4.131 1.00 11.22 H new ATOM 0 HB2 ARG A 25 -11.821 -2.963 -5.466 1.00 41.42 H new ATOM 0 HB3 ARG A 25 -10.813 -4.166 -6.246 1.00 41.42 H new ATOM 0 HG2 ARG A 25 -10.601 -4.015 -3.259 1.00 51.33 H new ATOM 0 HG3 ARG A 25 -12.127 -4.603 -3.890 1.00 51.33 H new ATOM 0 HD2 ARG A 25 -10.555 -6.117 -5.436 1.00 70.23 H new ATOM 0 HD3 ARG A 25 -9.364 -5.801 -4.190 1.00 70.23 H new ATOM 0 HE ARG A 25 -12.019 -6.702 -3.202 1.00 40.42 H new ATOM 0 HH11 ARG A 25 -8.697 -7.626 -4.129 1.00 64.21 H new ATOM 0 HH12 ARG A 25 -8.746 -9.149 -3.234 1.00 64.21 H new ATOM 0 HH21 ARG A 25 -12.070 -8.641 -2.070 1.00 1.51 H new ATOM 0 HH22 ARG A 25 -10.673 -9.722 -2.062 1.00 1.51 H new ATOM 407 N VAL A 26 -7.628 -3.863 -5.089 1.00 14.14 N ATOM 408 CA VAL A 26 -6.438 -4.506 -5.617 1.00 62.54 C ATOM 409 C VAL A 26 -6.841 -5.776 -6.370 1.00 52.01 C ATOM 410 O VAL A 26 -7.147 -6.796 -5.755 1.00 24.24 O ATOM 411 CB VAL A 26 -5.441 -4.773 -4.487 1.00 51.45 C ATOM 412 CG1 VAL A 26 -4.059 -5.116 -5.046 1.00 24.34 C ATOM 413 CG2 VAL A 26 -5.366 -3.581 -3.531 1.00 3.10 C ATOM 0 H VAL A 26 -7.720 -3.905 -4.074 1.00 14.14 H new ATOM 0 HA VAL A 26 -5.935 -3.851 -6.328 1.00 62.54 H new ATOM 0 HB VAL A 26 -5.796 -5.634 -3.921 1.00 51.45 H new ATOM 0 HG11 VAL A 26 -3.369 -5.301 -4.223 1.00 24.34 H new ATOM 0 HG12 VAL A 26 -4.129 -6.008 -5.668 1.00 24.34 H new ATOM 0 HG13 VAL A 26 -3.692 -4.283 -5.646 1.00 24.34 H new ATOM 0 HG21 VAL A 26 -4.651 -3.796 -2.737 1.00 3.10 H new ATOM 0 HG22 VAL A 26 -5.045 -2.695 -4.079 1.00 3.10 H new ATOM 0 HG23 VAL A 26 -6.349 -3.402 -3.095 1.00 3.10 H new ATOM 423 N VAL A 27 -6.829 -5.672 -7.691 1.00 13.52 N ATOM 424 CA VAL A 27 -7.190 -6.799 -8.534 1.00 11.40 C ATOM 425 C VAL A 27 -6.039 -7.100 -9.495 1.00 43.14 C ATOM 426 O VAL A 27 -5.119 -6.296 -9.639 1.00 23.31 O ATOM 427 CB VAL A 27 -8.510 -6.513 -9.253 1.00 11.20 C ATOM 428 CG1 VAL A 27 -9.606 -6.131 -8.256 1.00 41.20 C ATOM 429 CG2 VAL A 27 -8.332 -5.426 -10.315 1.00 3.10 C ATOM 0 H VAL A 27 -6.575 -4.824 -8.198 1.00 13.52 H new ATOM 0 HA VAL A 27 -7.351 -7.692 -7.930 1.00 11.40 H new ATOM 0 HB VAL A 27 -8.821 -7.427 -9.758 1.00 11.20 H new ATOM 0 HG11 VAL A 27 -10.534 -5.933 -8.793 1.00 41.20 H new ATOM 0 HG12 VAL A 27 -9.761 -6.950 -7.554 1.00 41.20 H new ATOM 0 HG13 VAL A 27 -9.305 -5.237 -7.709 1.00 41.20 H new ATOM 0 HG21 VAL A 27 -9.285 -5.242 -10.811 1.00 3.10 H new ATOM 0 HG22 VAL A 27 -7.986 -4.507 -9.841 1.00 3.10 H new ATOM 0 HG23 VAL A 27 -7.597 -5.753 -11.051 1.00 3.10 H new ATOM 439 N SER A 28 -6.127 -8.260 -10.129 1.00 75.11 N ATOM 440 CA SER A 28 -5.104 -8.678 -11.073 1.00 15.52 C ATOM 441 C SER A 28 -5.754 -9.336 -12.291 1.00 72.34 C ATOM 442 O SER A 28 -6.596 -10.221 -12.148 1.00 31.40 O ATOM 443 CB SER A 28 -4.110 -9.638 -10.418 1.00 3.33 C ATOM 444 OG SER A 28 -2.906 -9.755 -11.171 1.00 4.31 O ATOM 0 H SER A 28 -6.892 -8.924 -10.007 1.00 75.11 H new ATOM 0 HA SER A 28 -4.554 -7.794 -11.396 1.00 15.52 H new ATOM 0 HB2 SER A 28 -3.876 -9.288 -9.413 1.00 3.33 H new ATOM 0 HB3 SER A 28 -4.570 -10.621 -10.314 1.00 3.33 H new ATOM 0 HG SER A 28 -2.297 -10.375 -10.719 1.00 4.31 H new ATOM 450 N PRO A 29 -5.327 -8.867 -13.494 1.00 54.33 N ATOM 451 CA PRO A 29 -4.327 -7.816 -13.575 1.00 62.34 C ATOM 452 C PRO A 29 -4.930 -6.456 -13.219 1.00 42.14 C ATOM 453 O PRO A 29 -6.149 -6.293 -13.223 1.00 70.22 O ATOM 454 CB PRO A 29 -3.805 -7.880 -15.001 1.00 44.34 C ATOM 455 CG PRO A 29 -4.851 -8.645 -15.795 1.00 20.41 C ATOM 456 CD PRO A 29 -5.784 -9.322 -14.804 1.00 54.31 C ATOM 0 HA PRO A 29 -3.515 -7.952 -12.861 1.00 62.34 H new ATOM 0 HB2 PRO A 29 -3.660 -6.880 -15.409 1.00 44.34 H new ATOM 0 HB3 PRO A 29 -2.839 -8.384 -15.041 1.00 44.34 H new ATOM 0 HG2 PRO A 29 -5.408 -7.969 -16.443 1.00 20.41 H new ATOM 0 HG3 PRO A 29 -4.376 -9.385 -16.439 1.00 20.41 H new ATOM 0 HD2 PRO A 29 -6.822 -9.040 -14.981 1.00 54.31 H new ATOM 0 HD3 PRO A 29 -5.730 -10.407 -14.887 1.00 54.31 H new ATOM 464 N THR A 30 -4.048 -5.514 -12.920 1.00 41.43 N ATOM 465 CA THR A 30 -4.478 -4.172 -12.563 1.00 22.42 C ATOM 466 C THR A 30 -4.806 -3.365 -13.820 1.00 51.21 C ATOM 467 O THR A 30 -4.206 -3.577 -14.873 1.00 33.02 O ATOM 468 CB THR A 30 -3.383 -3.539 -11.702 1.00 51.31 C ATOM 469 OG1 THR A 30 -2.170 -4.014 -12.278 1.00 43.25 O ATOM 470 CG2 THR A 30 -3.362 -4.096 -10.277 1.00 72.14 C ATOM 0 H THR A 30 -3.038 -5.653 -12.917 1.00 41.43 H new ATOM 0 HA THR A 30 -5.399 -4.193 -11.980 1.00 22.42 H new ATOM 0 HB THR A 30 -3.528 -2.459 -11.667 1.00 51.31 H new ATOM 0 HG1 THR A 30 -1.408 -3.650 -11.781 1.00 43.25 H new ATOM 0 HG21 THR A 30 -2.567 -3.613 -9.709 1.00 72.14 H new ATOM 0 HG22 THR A 30 -4.321 -3.902 -9.796 1.00 72.14 H new ATOM 0 HG23 THR A 30 -3.184 -5.171 -10.309 1.00 72.14 H new ATOM 478 N GLY A 31 -5.758 -2.455 -13.669 1.00 24.43 N ATOM 479 CA GLY A 31 -6.173 -1.615 -14.779 1.00 1.11 C ATOM 480 C GLY A 31 -6.102 -0.134 -14.402 1.00 13.34 C ATOM 481 O GLY A 31 -5.228 0.275 -13.639 1.00 15.24 O ATOM 0 H GLY A 31 -6.253 -2.282 -12.794 1.00 24.43 H new ATOM 0 HA2 GLY A 31 -5.535 -1.805 -15.642 1.00 1.11 H new ATOM 0 HA3 GLY A 31 -7.191 -1.871 -15.073 1.00 1.11 H new ATOM 485 N ILE A 32 -7.034 0.630 -14.954 1.00 20.35 N ATOM 486 CA ILE A 32 -7.088 2.057 -14.684 1.00 74.45 C ATOM 487 C ILE A 32 -6.815 2.302 -13.199 1.00 62.13 C ATOM 488 O ILE A 32 -7.304 1.566 -12.344 1.00 73.43 O ATOM 489 CB ILE A 32 -8.415 2.643 -15.170 1.00 53.15 C ATOM 490 CG1 ILE A 32 -8.489 2.641 -16.699 1.00 4.32 C ATOM 491 CG2 ILE A 32 -8.644 4.039 -14.587 1.00 40.13 C ATOM 492 CD1 ILE A 32 -9.934 2.792 -17.179 1.00 23.25 C ATOM 0 H ILE A 32 -7.757 0.288 -15.587 1.00 20.35 H new ATOM 0 HA ILE A 32 -6.311 2.580 -15.241 1.00 74.45 H new ATOM 0 HB ILE A 32 -9.222 2.006 -14.808 1.00 53.15 H new ATOM 0 HG12 ILE A 32 -7.883 3.455 -17.097 1.00 4.32 H new ATOM 0 HG13 ILE A 32 -8.069 1.712 -17.086 1.00 4.32 H new ATOM 0 HG21 ILE A 32 -9.594 4.433 -14.948 1.00 40.13 H new ATOM 0 HG22 ILE A 32 -8.666 3.980 -13.499 1.00 40.13 H new ATOM 0 HG23 ILE A 32 -7.835 4.700 -14.898 1.00 40.13 H new ATOM 0 HD11 ILE A 32 -9.958 2.788 -18.269 1.00 23.25 H new ATOM 0 HD12 ILE A 32 -10.532 1.963 -16.800 1.00 23.25 H new ATOM 0 HD13 ILE A 32 -10.343 3.733 -16.811 1.00 23.25 H new ATOM 504 N PRO A 33 -6.013 3.367 -12.931 1.00 23.11 N ATOM 505 CA PRO A 33 -5.668 3.719 -11.564 1.00 31.40 C ATOM 506 C PRO A 33 -6.849 4.385 -10.855 1.00 2.11 C ATOM 507 O PRO A 33 -7.614 5.122 -11.475 1.00 10.14 O ATOM 508 CB PRO A 33 -4.457 4.629 -11.685 1.00 52.34 C ATOM 509 CG PRO A 33 -4.452 5.127 -13.122 1.00 30.32 C ATOM 510 CD PRO A 33 -5.415 4.261 -13.918 1.00 41.21 C ATOM 0 HA PRO A 33 -5.434 2.848 -10.951 1.00 31.40 H new ATOM 0 HB2 PRO A 33 -4.522 5.461 -10.984 1.00 52.34 H new ATOM 0 HB3 PRO A 33 -3.538 4.089 -11.455 1.00 52.34 H new ATOM 0 HG2 PRO A 33 -4.755 6.173 -13.165 1.00 30.32 H new ATOM 0 HG3 PRO A 33 -3.448 5.068 -13.543 1.00 30.32 H new ATOM 0 HD2 PRO A 33 -6.173 4.866 -14.415 1.00 41.21 H new ATOM 0 HD3 PRO A 33 -4.894 3.701 -14.695 1.00 41.21 H new ATOM 518 N ALA A 34 -6.960 4.102 -9.565 1.00 45.13 N ATOM 519 CA ALA A 34 -8.034 4.665 -8.765 1.00 41.01 C ATOM 520 C ALA A 34 -7.932 6.192 -8.784 1.00 72.52 C ATOM 521 O ALA A 34 -8.908 6.886 -8.505 1.00 75.21 O ATOM 522 CB ALA A 34 -7.968 4.094 -7.347 1.00 62.03 C ATOM 0 H ALA A 34 -6.324 3.490 -9.054 1.00 45.13 H new ATOM 0 HA ALA A 34 -9.005 4.394 -9.181 1.00 41.01 H new ATOM 0 HB1 ALA A 34 -8.774 4.516 -6.747 1.00 62.03 H new ATOM 0 HB2 ALA A 34 -8.075 3.010 -7.386 1.00 62.03 H new ATOM 0 HB3 ALA A 34 -7.009 4.348 -6.897 1.00 62.03 H new ATOM 528 N GLU A 35 -6.742 6.669 -9.116 1.00 41.33 N ATOM 529 CA GLU A 35 -6.500 8.101 -9.175 1.00 70.25 C ATOM 530 C GLU A 35 -7.217 8.711 -10.382 1.00 25.11 C ATOM 531 O GLU A 35 -7.215 9.928 -10.559 1.00 15.13 O ATOM 532 CB GLU A 35 -5.001 8.402 -9.218 1.00 43.23 C ATOM 533 CG GLU A 35 -4.212 7.380 -8.397 1.00 12.33 C ATOM 534 CD GLU A 35 -3.056 8.050 -7.652 1.00 2.40 C ATOM 535 OE1 GLU A 35 -3.154 8.288 -6.439 1.00 34.11 O ATOM 536 OE2 GLU A 35 -2.026 8.325 -8.378 1.00 42.25 O ATOM 0 H GLU A 35 -5.935 6.090 -9.347 1.00 41.33 H new ATOM 0 HA GLU A 35 -6.903 8.556 -8.270 1.00 70.25 H new ATOM 0 HB2 GLU A 35 -4.654 8.390 -10.251 1.00 43.23 H new ATOM 0 HB3 GLU A 35 -4.817 9.404 -8.832 1.00 43.23 H new ATOM 0 HG2 GLU A 35 -4.875 6.892 -7.683 1.00 12.33 H new ATOM 0 HG3 GLU A 35 -3.823 6.602 -9.054 1.00 12.33 H new ATOM 544 N ASP A 36 -7.811 7.837 -11.181 1.00 12.03 N ATOM 545 CA ASP A 36 -8.530 8.274 -12.365 1.00 51.43 C ATOM 546 C ASP A 36 -10.035 8.151 -12.118 1.00 61.11 C ATOM 547 O ASP A 36 -10.836 8.351 -13.030 1.00 21.21 O ATOM 548 CB ASP A 36 -8.177 7.407 -13.575 1.00 40.33 C ATOM 549 CG ASP A 36 -6.715 7.483 -14.021 1.00 12.13 C ATOM 550 OD1 ASP A 36 -5.866 8.062 -13.327 1.00 65.15 O ATOM 551 OD2 ASP A 36 -6.458 6.908 -15.147 1.00 1.34 O ATOM 0 H ASP A 36 -7.809 6.828 -11.031 1.00 12.03 H new ATOM 0 HA ASP A 36 -8.249 9.307 -12.567 1.00 51.43 H new ATOM 0 HB2 ASP A 36 -8.417 6.370 -13.342 1.00 40.33 H new ATOM 0 HB3 ASP A 36 -8.812 7.701 -14.411 1.00 40.33 H new ATOM 557 N ILE A 37 -10.374 7.822 -10.880 1.00 62.12 N ATOM 558 CA ILE A 37 -11.768 7.669 -10.502 1.00 13.35 C ATOM 559 C ILE A 37 -12.545 8.919 -10.919 1.00 55.24 C ATOM 560 O ILE A 37 -13.590 8.820 -11.562 1.00 25.52 O ATOM 561 CB ILE A 37 -11.886 7.341 -9.012 1.00 11.22 C ATOM 562 CG1 ILE A 37 -11.977 5.830 -8.789 1.00 15.34 C ATOM 563 CG2 ILE A 37 -13.062 8.086 -8.378 1.00 13.54 C ATOM 564 CD1 ILE A 37 -12.614 5.514 -7.434 1.00 31.31 C ATOM 0 H ILE A 37 -9.707 7.657 -10.126 1.00 62.12 H new ATOM 0 HA ILE A 37 -12.215 6.825 -11.027 1.00 13.35 H new ATOM 0 HB ILE A 37 -10.980 7.686 -8.513 1.00 11.22 H new ATOM 0 HG12 ILE A 37 -12.565 5.376 -9.586 1.00 15.34 H new ATOM 0 HG13 ILE A 37 -10.981 5.391 -8.838 1.00 15.34 H new ATOM 0 HG21 ILE A 37 -13.123 7.835 -7.319 1.00 13.54 H new ATOM 0 HG22 ILE A 37 -12.914 9.160 -8.488 1.00 13.54 H new ATOM 0 HG23 ILE A 37 -13.988 7.794 -8.874 1.00 13.54 H new ATOM 0 HD11 ILE A 37 -12.667 4.434 -7.300 1.00 31.31 H new ATOM 0 HD12 ILE A 37 -12.010 5.949 -6.638 1.00 31.31 H new ATOM 0 HD13 ILE A 37 -13.619 5.934 -7.398 1.00 31.31 H new ATOM 576 N PRO A 38 -11.992 10.098 -10.527 1.00 61.04 N ATOM 577 CA PRO A 38 -12.622 11.366 -10.854 1.00 64.13 C ATOM 578 C PRO A 38 -12.412 11.718 -12.328 1.00 54.15 C ATOM 579 O PRO A 38 -12.905 12.741 -12.802 1.00 71.20 O ATOM 580 CB PRO A 38 -11.991 12.374 -9.907 1.00 51.04 C ATOM 581 CG PRO A 38 -10.707 11.731 -9.409 1.00 12.03 C ATOM 582 CD PRO A 38 -10.756 10.254 -9.765 1.00 54.43 C ATOM 0 HA PRO A 38 -13.704 11.343 -10.727 1.00 64.13 H new ATOM 0 HB2 PRO A 38 -11.784 13.314 -10.419 1.00 51.04 H new ATOM 0 HB3 PRO A 38 -12.660 12.603 -9.078 1.00 51.04 H new ATOM 0 HG2 PRO A 38 -9.840 12.206 -9.868 1.00 12.03 H new ATOM 0 HG3 PRO A 38 -10.608 11.861 -8.331 1.00 12.03 H new ATOM 0 HD2 PRO A 38 -9.888 9.960 -10.354 1.00 54.43 H new ATOM 0 HD3 PRO A 38 -10.761 9.631 -8.871 1.00 54.43 H new ATOM 590 N ARG A 39 -11.681 10.851 -13.013 1.00 30.01 N ATOM 591 CA ARG A 39 -11.401 11.057 -14.424 1.00 3.53 C ATOM 592 C ARG A 39 -12.380 10.255 -15.282 1.00 61.35 C ATOM 593 O ARG A 39 -12.831 10.729 -16.324 1.00 3.00 O ATOM 594 CB ARG A 39 -9.970 10.639 -14.768 1.00 2.32 C ATOM 595 CG ARG A 39 -8.951 11.522 -14.043 1.00 73.41 C ATOM 596 CD ARG A 39 -7.617 11.548 -14.792 1.00 74.11 C ATOM 597 NE ARG A 39 -7.330 10.212 -15.361 1.00 52.43 N ATOM 598 CZ ARG A 39 -6.470 9.992 -16.378 1.00 54.15 C ATOM 599 NH1 ARG A 39 -5.805 11.020 -16.948 1.00 30.41 N ATOM 600 NH2 ARG A 39 -6.290 8.757 -16.808 1.00 51.11 N ATOM 0 H ARG A 39 -11.274 10.004 -12.617 1.00 30.01 H new ATOM 0 HA ARG A 39 -11.517 12.120 -14.633 1.00 3.53 H new ATOM 0 HB2 ARG A 39 -9.815 9.596 -14.491 1.00 2.32 H new ATOM 0 HB3 ARG A 39 -9.816 10.709 -15.845 1.00 2.32 H new ATOM 0 HG2 ARG A 39 -9.342 12.536 -13.953 1.00 73.41 H new ATOM 0 HG3 ARG A 39 -8.796 11.149 -13.031 1.00 73.41 H new ATOM 0 HD2 ARG A 39 -7.652 12.292 -15.588 1.00 74.11 H new ATOM 0 HD3 ARG A 39 -6.816 11.844 -14.115 1.00 74.11 H new ATOM 0 HE ARG A 39 -7.812 9.408 -14.960 1.00 52.43 H new ATOM 0 HH11 ARG A 39 -5.951 11.971 -16.610 1.00 30.41 H new ATOM 0 HH12 ARG A 39 -5.157 10.845 -17.716 1.00 30.41 H new ATOM 0 HH21 ARG A 39 -6.797 7.986 -16.373 1.00 51.11 H new ATOM 0 HH22 ARG A 39 -5.644 8.573 -17.576 1.00 51.11 H new ATOM 613 N LEU A 40 -12.680 9.052 -14.814 1.00 11.31 N ATOM 614 CA LEU A 40 -13.598 8.179 -15.526 1.00 44.20 C ATOM 615 C LEU A 40 -15.017 8.738 -15.414 1.00 35.04 C ATOM 616 O LEU A 40 -15.856 8.492 -16.279 1.00 63.45 O ATOM 617 CB LEU A 40 -13.462 6.739 -15.028 1.00 33.13 C ATOM 618 CG LEU A 40 -12.233 5.972 -15.518 1.00 45.24 C ATOM 619 CD1 LEU A 40 -12.198 5.912 -17.047 1.00 21.23 C ATOM 620 CD2 LEU A 40 -10.948 6.568 -14.939 1.00 62.21 C ATOM 0 H LEU A 40 -12.303 8.661 -13.950 1.00 11.31 H new ATOM 0 HA LEU A 40 -13.350 8.149 -16.587 1.00 44.20 H new ATOM 0 HB2 LEU A 40 -13.446 6.753 -13.938 1.00 33.13 H new ATOM 0 HB3 LEU A 40 -14.353 6.187 -15.327 1.00 33.13 H new ATOM 0 HG LEU A 40 -12.304 4.946 -15.156 1.00 45.24 H new ATOM 0 HD11 LEU A 40 -11.314 5.361 -17.369 1.00 21.23 H new ATOM 0 HD12 LEU A 40 -13.093 5.408 -17.412 1.00 21.23 H new ATOM 0 HD13 LEU A 40 -12.162 6.924 -17.450 1.00 21.23 H new ATOM 0 HD21 LEU A 40 -10.089 6.004 -15.303 1.00 62.21 H new ATOM 0 HD22 LEU A 40 -10.857 7.609 -15.250 1.00 62.21 H new ATOM 0 HD23 LEU A 40 -10.981 6.516 -13.851 1.00 62.21 H new ATOM 632 N ILE A 41 -15.244 9.480 -14.340 1.00 22.14 N ATOM 633 CA ILE A 41 -16.548 10.076 -14.103 1.00 22.33 C ATOM 634 C ILE A 41 -16.941 10.928 -15.311 1.00 34.20 C ATOM 635 O ILE A 41 -16.150 11.742 -15.785 1.00 74.11 O ATOM 636 CB ILE A 41 -16.553 10.845 -12.780 1.00 32.40 C ATOM 637 CG1 ILE A 41 -16.220 9.920 -11.607 1.00 43.31 C ATOM 638 CG2 ILE A 41 -17.883 11.574 -12.575 1.00 63.31 C ATOM 639 CD1 ILE A 41 -17.486 9.521 -10.847 1.00 23.05 C ATOM 0 H ILE A 41 -14.546 9.682 -13.624 1.00 22.14 H new ATOM 0 HA ILE A 41 -17.308 9.302 -13.998 1.00 22.33 H new ATOM 0 HB ILE A 41 -15.772 11.604 -12.823 1.00 32.40 H new ATOM 0 HG12 ILE A 41 -15.716 9.027 -11.976 1.00 43.31 H new ATOM 0 HG13 ILE A 41 -15.528 10.420 -10.930 1.00 43.31 H new ATOM 0 HG21 ILE A 41 -17.860 12.113 -11.628 1.00 63.31 H new ATOM 0 HG22 ILE A 41 -18.040 12.280 -13.390 1.00 63.31 H new ATOM 0 HG23 ILE A 41 -18.697 10.849 -12.561 1.00 63.31 H new ATOM 0 HD11 ILE A 41 -17.221 8.864 -10.019 1.00 23.05 H new ATOM 0 HD12 ILE A 41 -17.974 10.415 -10.459 1.00 23.05 H new ATOM 0 HD13 ILE A 41 -18.166 9.000 -11.521 1.00 23.05 H new ATOM 651 N SER A 42 -18.163 10.711 -15.775 1.00 15.35 N ATOM 652 CA SER A 42 -18.672 11.449 -16.918 1.00 43.35 C ATOM 653 C SER A 42 -18.265 10.748 -18.216 1.00 45.41 C ATOM 654 O SER A 42 -18.803 11.045 -19.282 1.00 1.35 O ATOM 655 CB SER A 42 -18.164 12.892 -16.913 1.00 3.43 C ATOM 656 OG SER A 42 -19.066 13.779 -17.570 1.00 64.50 O ATOM 0 H SER A 42 -18.816 10.034 -15.380 1.00 15.35 H new ATOM 0 HA SER A 42 -19.760 11.475 -16.851 1.00 43.35 H new ATOM 0 HB2 SER A 42 -18.017 13.221 -15.884 1.00 3.43 H new ATOM 0 HB3 SER A 42 -17.191 12.935 -17.403 1.00 3.43 H new ATOM 0 HG SER A 42 -18.706 14.690 -17.544 1.00 64.50 H new ATOM 662 N MET A 43 -17.317 9.831 -18.084 1.00 14.52 N ATOM 663 CA MET A 43 -16.832 9.086 -19.233 1.00 22.14 C ATOM 664 C MET A 43 -17.487 7.705 -19.307 1.00 2.11 C ATOM 665 O MET A 43 -17.481 6.958 -18.330 1.00 13.24 O ATOM 666 CB MET A 43 -15.313 8.926 -19.133 1.00 55.31 C ATOM 667 CG MET A 43 -14.675 10.154 -18.480 1.00 63.14 C ATOM 668 SD MET A 43 -13.089 10.488 -19.229 1.00 21.53 S ATOM 669 CE MET A 43 -12.443 8.827 -19.339 1.00 41.22 C ATOM 0 H MET A 43 -16.872 9.587 -17.199 1.00 14.52 H new ATOM 0 HA MET A 43 -17.090 9.639 -20.136 1.00 22.14 H new ATOM 0 HB2 MET A 43 -15.075 8.035 -18.552 1.00 55.31 H new ATOM 0 HB3 MET A 43 -14.893 8.779 -20.128 1.00 55.31 H new ATOM 0 HG2 MET A 43 -15.330 11.018 -18.594 1.00 63.14 H new ATOM 0 HG3 MET A 43 -14.553 9.985 -17.410 1.00 63.14 H new ATOM 0 HE1 MET A 43 -11.412 8.814 -18.987 1.00 41.22 H new ATOM 0 HE2 MET A 43 -13.046 8.161 -18.722 1.00 41.22 H new ATOM 0 HE3 MET A 43 -12.477 8.491 -20.375 1.00 41.22 H new ATOM 679 N GLN A 44 -18.035 7.408 -20.476 1.00 34.24 N ATOM 680 CA GLN A 44 -18.693 6.130 -20.690 1.00 71.02 C ATOM 681 C GLN A 44 -17.657 5.040 -20.971 1.00 43.12 C ATOM 682 O GLN A 44 -16.458 5.312 -21.002 1.00 45.25 O ATOM 683 CB GLN A 44 -19.713 6.222 -21.827 1.00 13.45 C ATOM 684 CG GLN A 44 -20.635 7.429 -21.639 1.00 35.23 C ATOM 685 CD GLN A 44 -20.919 8.115 -22.976 1.00 53.43 C ATOM 686 OE1 GLN A 44 -20.464 9.214 -23.248 1.00 50.14 O ATOM 687 NE2 GLN A 44 -21.695 7.409 -23.793 1.00 70.44 N ATOM 0 H GLN A 44 -18.037 8.030 -21.285 1.00 34.24 H new ATOM 0 HA GLN A 44 -19.233 5.865 -19.781 1.00 71.02 H new ATOM 0 HB2 GLN A 44 -19.193 6.302 -22.782 1.00 13.45 H new ATOM 0 HB3 GLN A 44 -20.306 5.308 -21.863 1.00 13.45 H new ATOM 0 HG2 GLN A 44 -21.572 7.108 -21.185 1.00 35.23 H new ATOM 0 HG3 GLN A 44 -20.175 8.139 -20.952 1.00 35.23 H new ATOM 0 HE21 GLN A 44 -22.042 6.495 -23.503 1.00 70.44 H new ATOM 0 HE22 GLN A 44 -21.943 7.782 -24.710 1.00 70.44 H new ATOM 696 N VAL A 45 -18.157 3.829 -21.169 1.00 2.25 N ATOM 697 CA VAL A 45 -17.289 2.697 -21.446 1.00 11.21 C ATOM 698 C VAL A 45 -17.489 2.250 -22.895 1.00 51.04 C ATOM 699 O VAL A 45 -18.606 2.280 -23.410 1.00 10.34 O ATOM 700 CB VAL A 45 -17.548 1.579 -20.434 1.00 72.02 C ATOM 701 CG1 VAL A 45 -16.865 1.879 -19.098 1.00 53.24 C ATOM 702 CG2 VAL A 45 -19.049 1.349 -20.244 1.00 2.05 C ATOM 0 H VAL A 45 -19.152 3.607 -21.143 1.00 2.25 H new ATOM 0 HA VAL A 45 -16.243 2.981 -21.335 1.00 11.21 H new ATOM 0 HB VAL A 45 -17.116 0.661 -20.831 1.00 72.02 H new ATOM 0 HG11 VAL A 45 -17.065 1.069 -18.397 1.00 53.24 H new ATOM 0 HG12 VAL A 45 -15.790 1.969 -19.251 1.00 53.24 H new ATOM 0 HG13 VAL A 45 -17.253 2.813 -18.693 1.00 53.24 H new ATOM 0 HG21 VAL A 45 -19.206 0.549 -19.520 1.00 2.05 H new ATOM 0 HG22 VAL A 45 -19.514 2.265 -19.880 1.00 2.05 H new ATOM 0 HG23 VAL A 45 -19.498 1.069 -21.197 1.00 2.05 H new ATOM 712 N ASN A 46 -16.389 1.845 -23.513 1.00 51.42 N ATOM 713 CA ASN A 46 -16.430 1.393 -24.893 1.00 65.53 C ATOM 714 C ASN A 46 -16.621 -0.125 -24.922 1.00 60.22 C ATOM 715 O ASN A 46 -16.139 -0.798 -25.832 1.00 70.11 O ATOM 716 CB ASN A 46 -15.122 1.718 -25.618 1.00 72.03 C ATOM 717 CG ASN A 46 -13.954 0.931 -25.021 1.00 44.41 C ATOM 718 OD1 ASN A 46 -14.004 -0.276 -24.857 1.00 30.52 O ATOM 719 ND2 ASN A 46 -12.901 1.681 -24.706 1.00 53.45 N ATOM 0 H ASN A 46 -15.464 1.821 -23.083 1.00 51.42 H new ATOM 0 HA ASN A 46 -17.255 1.903 -25.391 1.00 65.53 H new ATOM 0 HB2 ASN A 46 -15.221 1.481 -26.677 1.00 72.03 H new ATOM 0 HB3 ASN A 46 -14.919 2.787 -25.548 1.00 72.03 H new ATOM 0 HD21 ASN A 46 -12.070 1.249 -24.301 1.00 53.45 H new ATOM 0 HD22 ASN A 46 -12.925 2.688 -24.869 1.00 53.45 H new ATOM 726 N GLN A 47 -17.326 -0.620 -23.915 1.00 44.11 N ATOM 727 CA GLN A 47 -17.587 -2.046 -23.814 1.00 3.34 C ATOM 728 C GLN A 47 -18.370 -2.352 -22.535 1.00 63.24 C ATOM 729 O GLN A 47 -18.211 -1.667 -21.526 1.00 43.24 O ATOM 730 CB GLN A 47 -16.284 -2.847 -23.864 1.00 51.40 C ATOM 731 CG GLN A 47 -16.533 -4.320 -23.537 1.00 35.23 C ATOM 732 CD GLN A 47 -15.214 -5.066 -23.327 1.00 32.04 C ATOM 733 OE1 GLN A 47 -14.437 -4.536 -22.386 1.00 12.24 O flip ATOM 734 NE2 GLN A 47 -14.921 -6.057 -23.976 1.00 60.33 N flip ATOM 0 H GLN A 47 -17.724 -0.059 -23.162 1.00 44.11 H new ATOM 0 HA GLN A 47 -18.193 -2.347 -24.669 1.00 3.34 H new ATOM 0 HB2 GLN A 47 -15.838 -2.761 -24.855 1.00 51.40 H new ATOM 0 HB3 GLN A 47 -15.569 -2.429 -23.155 1.00 51.40 H new ATOM 0 HG2 GLN A 47 -17.146 -4.398 -22.639 1.00 35.23 H new ATOM 0 HG3 GLN A 47 -17.094 -4.786 -24.347 1.00 35.23 H new ATOM 0 HE21 GLN A 47 -15.564 -6.412 -24.684 1.00 60.33 H new ATOM 0 HE22 GLN A 47 -14.033 -6.531 -23.811 1.00 60.33 H new ATOM 743 N VAL A 48 -19.198 -3.383 -22.620 1.00 13.43 N ATOM 744 CA VAL A 48 -20.006 -3.788 -21.482 1.00 74.23 C ATOM 745 C VAL A 48 -19.088 -4.243 -20.346 1.00 51.11 C ATOM 746 O VAL A 48 -18.508 -5.326 -20.408 1.00 3.33 O ATOM 747 CB VAL A 48 -21.008 -4.864 -21.909 1.00 5.14 C ATOM 748 CG1 VAL A 48 -21.391 -5.755 -20.726 1.00 33.31 C ATOM 749 CG2 VAL A 48 -22.248 -4.236 -22.547 1.00 41.04 C ATOM 0 H VAL A 48 -19.327 -3.950 -23.458 1.00 13.43 H new ATOM 0 HA VAL A 48 -20.591 -2.947 -21.110 1.00 74.23 H new ATOM 0 HB VAL A 48 -20.527 -5.491 -22.660 1.00 5.14 H new ATOM 0 HG11 VAL A 48 -22.104 -6.511 -21.056 1.00 33.31 H new ATOM 0 HG12 VAL A 48 -20.499 -6.244 -20.335 1.00 33.31 H new ATOM 0 HG13 VAL A 48 -21.844 -5.146 -19.944 1.00 33.31 H new ATOM 0 HG21 VAL A 48 -22.943 -5.022 -22.841 1.00 41.04 H new ATOM 0 HG22 VAL A 48 -22.731 -3.574 -21.828 1.00 41.04 H new ATOM 0 HG23 VAL A 48 -21.954 -3.664 -23.427 1.00 41.04 H new ATOM 759 N VAL A 49 -18.985 -3.393 -19.335 1.00 50.32 N ATOM 760 CA VAL A 49 -18.147 -3.693 -18.187 1.00 32.52 C ATOM 761 C VAL A 49 -19.035 -3.983 -16.975 1.00 72.51 C ATOM 762 O VAL A 49 -19.542 -3.062 -16.338 1.00 13.22 O ATOM 763 CB VAL A 49 -17.161 -2.549 -17.945 1.00 24.33 C ATOM 764 CG1 VAL A 49 -16.274 -2.837 -16.731 1.00 74.12 C ATOM 765 CG2 VAL A 49 -16.314 -2.282 -19.191 1.00 72.40 C ATOM 0 H VAL A 49 -19.468 -2.496 -19.287 1.00 50.32 H new ATOM 0 HA VAL A 49 -17.549 -4.585 -18.374 1.00 32.52 H new ATOM 0 HB VAL A 49 -17.738 -1.649 -17.733 1.00 24.33 H new ATOM 0 HG11 VAL A 49 -15.582 -2.008 -16.581 1.00 74.12 H new ATOM 0 HG12 VAL A 49 -16.897 -2.954 -15.845 1.00 74.12 H new ATOM 0 HG13 VAL A 49 -15.710 -3.754 -16.902 1.00 74.12 H new ATOM 0 HG21 VAL A 49 -15.622 -1.464 -18.992 1.00 72.40 H new ATOM 0 HG22 VAL A 49 -15.751 -3.180 -19.448 1.00 72.40 H new ATOM 0 HG23 VAL A 49 -16.965 -2.012 -20.022 1.00 72.40 H new ATOM 775 N PRO A 50 -19.200 -5.302 -16.686 1.00 74.10 N ATOM 776 CA PRO A 50 -20.018 -5.725 -15.562 1.00 73.21 C ATOM 777 C PRO A 50 -19.292 -5.490 -14.236 1.00 51.11 C ATOM 778 O PRO A 50 -18.096 -5.205 -14.222 1.00 3.44 O ATOM 779 CB PRO A 50 -20.317 -7.192 -15.823 1.00 74.35 C ATOM 780 CG PRO A 50 -19.279 -7.656 -16.832 1.00 74.14 C ATOM 781 CD PRO A 50 -18.615 -6.421 -17.419 1.00 31.12 C ATOM 0 HA PRO A 50 -20.942 -5.153 -15.476 1.00 73.21 H new ATOM 0 HB2 PRO A 50 -20.254 -7.773 -14.903 1.00 74.35 H new ATOM 0 HB3 PRO A 50 -21.326 -7.321 -16.214 1.00 74.35 H new ATOM 0 HG2 PRO A 50 -18.539 -8.295 -16.351 1.00 74.14 H new ATOM 0 HG3 PRO A 50 -19.748 -8.247 -17.618 1.00 74.14 H new ATOM 0 HD2 PRO A 50 -17.533 -6.455 -17.292 1.00 31.12 H new ATOM 0 HD3 PRO A 50 -18.808 -6.338 -18.489 1.00 31.12 H new ATOM 789 N MET A 51 -20.046 -5.619 -13.154 1.00 51.43 N ATOM 790 CA MET A 51 -19.489 -5.424 -11.826 1.00 52.34 C ATOM 791 C MET A 51 -18.435 -6.487 -11.512 1.00 72.53 C ATOM 792 O MET A 51 -18.516 -7.611 -12.006 1.00 20.20 O ATOM 793 CB MET A 51 -20.610 -5.493 -10.787 1.00 71.04 C ATOM 794 CG MET A 51 -20.092 -5.120 -9.397 1.00 14.12 C ATOM 795 SD MET A 51 -21.407 -5.260 -8.198 1.00 34.01 S ATOM 796 CE MET A 51 -21.001 -6.841 -7.475 1.00 4.51 C ATOM 0 H MET A 51 -21.038 -5.856 -13.170 1.00 51.43 H new ATOM 0 HA MET A 51 -19.011 -4.445 -11.793 1.00 52.34 H new ATOM 0 HB2 MET A 51 -21.417 -4.818 -11.072 1.00 71.04 H new ATOM 0 HB3 MET A 51 -21.029 -6.499 -10.765 1.00 71.04 H new ATOM 0 HG2 MET A 51 -19.265 -5.774 -9.120 1.00 14.12 H new ATOM 0 HG3 MET A 51 -19.704 -4.102 -9.406 1.00 14.12 H new ATOM 0 HE1 MET A 51 -21.728 -7.084 -6.700 1.00 4.51 H new ATOM 0 HE2 MET A 51 -21.022 -7.610 -8.247 1.00 4.51 H new ATOM 0 HE3 MET A 51 -20.005 -6.795 -7.036 1.00 4.51 H new ATOM 806 N GLY A 52 -17.471 -6.095 -10.693 1.00 22.30 N ATOM 807 CA GLY A 52 -16.402 -7.001 -10.307 1.00 71.12 C ATOM 808 C GLY A 52 -15.351 -7.111 -11.413 1.00 63.43 C ATOM 809 O GLY A 52 -14.335 -7.785 -11.245 1.00 14.04 O ATOM 0 H GLY A 52 -17.407 -5.162 -10.286 1.00 22.30 H new ATOM 0 HA2 GLY A 52 -15.933 -6.646 -9.389 1.00 71.12 H new ATOM 0 HA3 GLY A 52 -16.815 -7.987 -10.094 1.00 71.12 H new ATOM 813 N THR A 53 -15.630 -6.439 -12.520 1.00 72.44 N ATOM 814 CA THR A 53 -14.721 -6.453 -13.654 1.00 32.40 C ATOM 815 C THR A 53 -13.796 -5.236 -13.610 1.00 42.15 C ATOM 816 O THR A 53 -14.253 -4.100 -13.723 1.00 53.44 O ATOM 817 CB THR A 53 -15.559 -6.534 -14.931 1.00 75.32 C ATOM 818 OG1 THR A 53 -16.381 -7.682 -14.735 1.00 40.03 O ATOM 819 CG2 THR A 53 -14.720 -6.883 -16.162 1.00 3.12 C ATOM 0 H THR A 53 -16.473 -5.881 -12.656 1.00 72.44 H new ATOM 0 HA THR A 53 -14.064 -7.322 -13.624 1.00 32.40 H new ATOM 0 HB THR A 53 -16.064 -5.582 -15.094 1.00 75.32 H new ATOM 0 HG1 THR A 53 -17.289 -7.398 -14.500 1.00 40.03 H new ATOM 0 HG21 THR A 53 -15.364 -6.928 -17.040 1.00 3.12 H new ATOM 0 HG22 THR A 53 -13.956 -6.119 -16.310 1.00 3.12 H new ATOM 0 HG23 THR A 53 -14.241 -7.851 -16.014 1.00 3.12 H new ATOM 827 N THR A 54 -12.511 -5.515 -13.447 1.00 0.34 N ATOM 828 CA THR A 54 -11.517 -4.456 -13.387 1.00 32.32 C ATOM 829 C THR A 54 -11.694 -3.491 -14.561 1.00 34.52 C ATOM 830 O THR A 54 -12.046 -3.908 -15.663 1.00 54.35 O ATOM 831 CB THR A 54 -10.134 -5.109 -13.340 1.00 11.30 C ATOM 832 OG1 THR A 54 -10.212 -6.009 -12.239 1.00 32.54 O ATOM 833 CG2 THR A 54 -9.035 -4.123 -12.938 1.00 30.01 C ATOM 0 H THR A 54 -12.135 -6.459 -13.355 1.00 0.34 H new ATOM 0 HA THR A 54 -11.638 -3.850 -12.489 1.00 32.32 H new ATOM 0 HB THR A 54 -9.901 -5.535 -14.316 1.00 11.30 H new ATOM 0 HG1 THR A 54 -9.532 -6.707 -12.339 1.00 32.54 H new ATOM 0 HG21 THR A 54 -8.074 -4.637 -12.920 1.00 30.01 H new ATOM 0 HG22 THR A 54 -8.997 -3.307 -13.660 1.00 30.01 H new ATOM 0 HG23 THR A 54 -9.251 -3.722 -11.948 1.00 30.01 H new ATOM 841 N LEU A 55 -11.443 -2.221 -14.284 1.00 5.41 N ATOM 842 CA LEU A 55 -11.570 -1.193 -15.303 1.00 41.03 C ATOM 843 C LEU A 55 -10.223 -1.008 -16.006 1.00 12.35 C ATOM 844 O LEU A 55 -9.181 -0.959 -15.354 1.00 61.31 O ATOM 845 CB LEU A 55 -12.130 0.096 -14.698 1.00 73.41 C ATOM 846 CG LEU A 55 -12.929 0.990 -15.648 1.00 14.52 C ATOM 847 CD1 LEU A 55 -14.245 0.323 -16.052 1.00 54.43 C ATOM 848 CD2 LEU A 55 -13.153 2.376 -15.038 1.00 23.21 C ATOM 0 H LEU A 55 -11.152 -1.880 -13.368 1.00 5.41 H new ATOM 0 HA LEU A 55 -12.288 -1.498 -16.064 1.00 41.03 H new ATOM 0 HB2 LEU A 55 -12.770 -0.169 -13.856 1.00 73.41 H new ATOM 0 HB3 LEU A 55 -11.299 0.677 -14.297 1.00 73.41 H new ATOM 0 HG LEU A 55 -12.345 1.129 -16.558 1.00 14.52 H new ATOM 0 HD11 LEU A 55 -14.793 0.980 -16.727 1.00 54.43 H new ATOM 0 HD12 LEU A 55 -14.035 -0.621 -16.555 1.00 54.43 H new ATOM 0 HD13 LEU A 55 -14.846 0.134 -15.162 1.00 54.43 H new ATOM 0 HD21 LEU A 55 -13.723 2.992 -15.733 1.00 23.21 H new ATOM 0 HD22 LEU A 55 -13.705 2.277 -14.104 1.00 23.21 H new ATOM 0 HD23 LEU A 55 -12.190 2.847 -14.842 1.00 23.21 H new ATOM 860 N MET A 56 -10.289 -0.909 -17.325 1.00 43.01 N ATOM 861 CA MET A 56 -9.087 -0.730 -18.123 1.00 34.02 C ATOM 862 C MET A 56 -9.141 0.582 -18.908 1.00 3.35 C ATOM 863 O MET A 56 -10.219 1.124 -19.146 1.00 30.12 O ATOM 864 CB MET A 56 -8.941 -1.901 -19.096 1.00 75.50 C ATOM 865 CG MET A 56 -9.023 -3.240 -18.359 1.00 43.10 C ATOM 866 SD MET A 56 -7.388 -3.775 -17.883 1.00 3.10 S ATOM 867 CE MET A 56 -7.633 -3.997 -16.129 1.00 22.40 C ATOM 0 H MET A 56 -11.155 -0.949 -17.862 1.00 43.01 H new ATOM 0 HA MET A 56 -8.229 -0.695 -17.451 1.00 34.02 H new ATOM 0 HB2 MET A 56 -9.724 -1.850 -19.852 1.00 75.50 H new ATOM 0 HB3 MET A 56 -7.987 -1.827 -19.619 1.00 75.50 H new ATOM 0 HG2 MET A 56 -9.654 -3.140 -17.476 1.00 43.10 H new ATOM 0 HG3 MET A 56 -9.488 -3.989 -19.000 1.00 43.10 H new ATOM 0 HE1 MET A 56 -6.667 -4.123 -15.640 1.00 22.40 H new ATOM 0 HE2 MET A 56 -8.137 -3.122 -15.718 1.00 22.40 H new ATOM 0 HE3 MET A 56 -8.245 -4.882 -15.956 1.00 22.40 H new ATOM 877 N PRO A 57 -7.932 1.068 -19.298 1.00 1.23 N ATOM 878 CA PRO A 57 -7.831 2.307 -20.051 1.00 23.24 C ATOM 879 C PRO A 57 -8.256 2.100 -21.506 1.00 12.33 C ATOM 880 O PRO A 57 -8.395 3.063 -22.258 1.00 53.31 O ATOM 881 CB PRO A 57 -6.379 2.735 -19.911 1.00 61.51 C ATOM 882 CG PRO A 57 -5.618 1.491 -19.481 1.00 5.21 C ATOM 883 CD PRO A 57 -6.634 0.454 -19.033 1.00 72.33 C ATOM 0 HA PRO A 57 -8.499 3.083 -19.677 1.00 23.24 H new ATOM 0 HB2 PRO A 57 -5.993 3.122 -20.854 1.00 61.51 H new ATOM 0 HB3 PRO A 57 -6.276 3.531 -19.173 1.00 61.51 H new ATOM 0 HG2 PRO A 57 -5.018 1.106 -20.306 1.00 5.21 H new ATOM 0 HG3 PRO A 57 -4.930 1.726 -18.669 1.00 5.21 H new ATOM 0 HD2 PRO A 57 -6.517 -0.479 -19.585 1.00 72.33 H new ATOM 0 HD3 PRO A 57 -6.517 0.216 -17.976 1.00 72.33 H new ATOM 891 N ASP A 58 -8.451 0.838 -21.858 1.00 50.13 N ATOM 892 CA ASP A 58 -8.858 0.493 -23.210 1.00 21.12 C ATOM 893 C ASP A 58 -10.348 0.144 -23.216 1.00 4.01 C ATOM 894 O ASP A 58 -10.867 -0.358 -24.211 1.00 71.23 O ATOM 895 CB ASP A 58 -8.085 -0.723 -23.724 1.00 34.51 C ATOM 896 CG ASP A 58 -8.583 -1.290 -25.055 1.00 62.12 C ATOM 897 OD1 ASP A 58 -8.913 -0.539 -25.985 1.00 74.41 O ATOM 898 OD2 ASP A 58 -8.625 -2.578 -25.118 1.00 2.11 O ATOM 0 H ASP A 58 -8.335 0.042 -21.231 1.00 50.13 H new ATOM 0 HA ASP A 58 -8.653 1.349 -23.853 1.00 21.12 H new ATOM 0 HB2 ASP A 58 -7.036 -0.448 -23.833 1.00 34.51 H new ATOM 0 HB3 ASP A 58 -8.132 -1.510 -22.971 1.00 34.51 H new ATOM 904 N MET A 59 -10.993 0.424 -22.093 1.00 42.01 N ATOM 905 CA MET A 59 -12.412 0.146 -21.956 1.00 54.04 C ATOM 906 C MET A 59 -13.195 1.425 -21.652 1.00 2.22 C ATOM 907 O MET A 59 -14.383 1.371 -21.338 1.00 70.44 O ATOM 908 CB MET A 59 -12.629 -0.865 -20.829 1.00 65.51 C ATOM 909 CG MET A 59 -12.176 -2.264 -21.253 1.00 72.24 C ATOM 910 SD MET A 59 -12.882 -3.490 -20.165 1.00 24.32 S ATOM 911 CE MET A 59 -12.458 -2.781 -18.583 1.00 1.33 C ATOM 0 H MET A 59 -10.559 0.841 -21.270 1.00 42.01 H new ATOM 0 HA MET A 59 -12.774 -0.264 -22.899 1.00 54.04 H new ATOM 0 HB2 MET A 59 -12.076 -0.552 -19.944 1.00 65.51 H new ATOM 0 HB3 MET A 59 -13.684 -0.888 -20.554 1.00 65.51 H new ATOM 0 HG2 MET A 59 -12.482 -2.458 -22.281 1.00 72.24 H new ATOM 0 HG3 MET A 59 -11.088 -2.326 -21.227 1.00 72.24 H new ATOM 0 HE1 MET A 59 -12.253 -3.579 -17.870 1.00 1.33 H new ATOM 0 HE2 MET A 59 -11.573 -2.154 -18.691 1.00 1.33 H new ATOM 0 HE3 MET A 59 -13.289 -2.176 -18.221 1.00 1.33 H new ATOM 921 N VAL A 60 -12.497 2.546 -21.755 1.00 4.55 N ATOM 922 CA VAL A 60 -13.111 3.837 -21.494 1.00 1.21 C ATOM 923 C VAL A 60 -12.952 4.731 -22.726 1.00 34.32 C ATOM 924 O VAL A 60 -11.868 4.816 -23.300 1.00 22.22 O ATOM 925 CB VAL A 60 -12.515 4.454 -20.227 1.00 42.31 C ATOM 926 CG1 VAL A 60 -13.075 5.857 -19.985 1.00 4.40 C ATOM 927 CG2 VAL A 60 -12.752 3.552 -19.014 1.00 41.31 C ATOM 0 H VAL A 60 -11.512 2.587 -22.016 1.00 4.55 H new ATOM 0 HA VAL A 60 -14.179 3.722 -21.311 1.00 1.21 H new ATOM 0 HB VAL A 60 -11.438 4.544 -20.372 1.00 42.31 H new ATOM 0 HG11 VAL A 60 -12.635 6.273 -19.079 1.00 4.40 H new ATOM 0 HG12 VAL A 60 -12.832 6.497 -20.833 1.00 4.40 H new ATOM 0 HG13 VAL A 60 -14.158 5.802 -19.871 1.00 4.40 H new ATOM 0 HG21 VAL A 60 -12.319 4.014 -18.127 1.00 41.31 H new ATOM 0 HG22 VAL A 60 -13.823 3.416 -18.866 1.00 41.31 H new ATOM 0 HG23 VAL A 60 -12.283 2.583 -19.184 1.00 41.31 H new ATOM 937 N LYS A 61 -14.050 5.374 -23.096 1.00 2.34 N ATOM 938 CA LYS A 61 -14.046 6.258 -24.249 1.00 12.31 C ATOM 939 C LYS A 61 -13.602 7.656 -23.813 1.00 54.21 C ATOM 940 O LYS A 61 -13.838 8.060 -22.675 1.00 74.34 O ATOM 941 CB LYS A 61 -15.408 6.235 -24.946 1.00 62.32 C ATOM 942 CG LYS A 61 -16.201 4.985 -24.558 1.00 12.41 C ATOM 943 CD LYS A 61 -17.118 4.541 -25.699 1.00 52.54 C ATOM 944 CE LYS A 61 -18.530 4.250 -25.187 1.00 0.22 C ATOM 945 NZ LYS A 61 -19.511 5.154 -25.828 1.00 1.10 N ATOM 0 H LYS A 61 -14.948 5.300 -22.618 1.00 2.34 H new ATOM 0 HA LYS A 61 -13.327 5.912 -24.992 1.00 12.31 H new ATOM 0 HB2 LYS A 61 -15.974 7.127 -24.677 1.00 62.32 H new ATOM 0 HB3 LYS A 61 -15.268 6.260 -26.027 1.00 62.32 H new ATOM 0 HG2 LYS A 61 -15.513 4.178 -24.304 1.00 12.41 H new ATOM 0 HG3 LYS A 61 -16.795 5.189 -23.667 1.00 12.41 H new ATOM 0 HD2 LYS A 61 -17.157 5.318 -26.462 1.00 52.54 H new ATOM 0 HD3 LYS A 61 -16.708 3.649 -26.173 1.00 52.54 H new ATOM 0 HE2 LYS A 61 -18.792 3.213 -25.396 1.00 0.22 H new ATOM 0 HE3 LYS A 61 -18.564 4.376 -24.105 1.00 0.22 H new ATOM 0 HZ1 LYS A 61 -20.383 4.628 -26.037 1.00 1.10 H new ATOM 0 HZ2 LYS A 61 -19.728 5.943 -25.186 1.00 1.10 H new ATOM 0 HZ3 LYS A 61 -19.112 5.528 -26.713 1.00 1.10 H new ATOM 958 N GLY A 62 -12.968 8.357 -24.741 1.00 65.33 N ATOM 959 CA GLY A 62 -12.489 9.701 -24.467 1.00 64.03 C ATOM 960 C GLY A 62 -11.492 9.702 -23.306 1.00 53.11 C ATOM 961 O GLY A 62 -11.176 10.756 -22.756 1.00 61.21 O ATOM 0 H GLY A 62 -12.775 8.019 -25.684 1.00 65.33 H new ATOM 0 HA2 GLY A 62 -12.015 10.111 -25.359 1.00 64.03 H new ATOM 0 HA3 GLY A 62 -13.332 10.350 -24.228 1.00 64.03 H new ATOM 965 N TYR A 63 -11.026 8.509 -22.968 1.00 4.24 N ATOM 966 CA TYR A 63 -10.072 8.359 -21.882 1.00 3.32 C ATOM 967 C TYR A 63 -8.655 8.704 -22.345 1.00 41.31 C ATOM 968 O TYR A 63 -8.431 8.966 -23.526 1.00 5.02 O ATOM 969 CB TYR A 63 -10.119 6.884 -21.480 1.00 21.12 C ATOM 970 CG TYR A 63 -9.128 6.507 -20.377 1.00 3.51 C ATOM 971 CD1 TYR A 63 -9.495 6.620 -19.051 1.00 62.33 C ATOM 972 CD2 TYR A 63 -7.866 6.056 -20.708 1.00 31.45 C ATOM 973 CE1 TYR A 63 -8.562 6.265 -18.013 1.00 42.52 C ATOM 974 CE2 TYR A 63 -6.933 5.701 -19.669 1.00 51.45 C ATOM 975 CZ TYR A 63 -7.327 5.824 -18.374 1.00 30.25 C ATOM 976 OH TYR A 63 -6.446 5.489 -17.393 1.00 42.22 O ATOM 0 H TYR A 63 -11.291 7.637 -23.427 1.00 4.24 H new ATOM 0 HA TYR A 63 -10.322 9.026 -21.057 1.00 3.32 H new ATOM 0 HB2 TYR A 63 -11.128 6.641 -21.146 1.00 21.12 H new ATOM 0 HB3 TYR A 63 -9.918 6.272 -22.359 1.00 21.12 H new ATOM 0 HD1 TYR A 63 -10.482 6.975 -18.792 1.00 62.33 H new ATOM 0 HD2 TYR A 63 -7.578 5.969 -21.745 1.00 31.45 H new ATOM 0 HE1 TYR A 63 -8.837 6.347 -16.972 1.00 42.52 H new ATOM 0 HE2 TYR A 63 -5.943 5.345 -19.914 1.00 51.45 H new ATOM 0 HH TYR A 63 -6.572 6.082 -16.623 1.00 42.22 H new ATOM 986 N ALA A 64 -7.736 8.693 -21.391 1.00 44.51 N ATOM 987 CA ALA A 64 -6.347 9.002 -21.686 1.00 62.05 C ATOM 988 C ALA A 64 -5.559 9.091 -20.378 1.00 31.32 C ATOM 989 O ALA A 64 -6.139 9.296 -19.313 1.00 1.52 O ATOM 990 CB ALA A 64 -6.273 10.295 -22.500 1.00 41.53 C ATOM 0 H ALA A 64 -7.926 8.475 -20.413 1.00 44.51 H new ATOM 0 HA ALA A 64 -5.898 8.212 -22.288 1.00 62.05 H new ATOM 0 HB1 ALA A 64 -5.231 10.527 -22.721 1.00 41.53 H new ATOM 0 HB2 ALA A 64 -6.823 10.170 -23.433 1.00 41.53 H new ATOM 0 HB3 ALA A 64 -6.712 11.111 -21.927 1.00 41.53 H new ATOM 996 N PRO A 65 -4.215 8.927 -20.504 1.00 21.31 N ATOM 997 CA PRO A 65 -3.342 8.986 -19.344 1.00 43.11 C ATOM 998 C PRO A 65 -3.156 10.429 -18.871 1.00 12.23 C ATOM 999 O PRO A 65 -3.941 11.308 -19.225 1.00 4.13 O ATOM 1000 CB PRO A 65 -2.043 8.337 -19.795 1.00 53.55 C ATOM 1001 CG PRO A 65 -2.073 8.359 -21.315 1.00 42.41 C ATOM 1002 CD PRO A 65 -3.493 8.681 -21.749 1.00 54.32 C ATOM 0 HA PRO A 65 -3.754 8.463 -18.481 1.00 43.11 H new ATOM 0 HB2 PRO A 65 -1.180 8.883 -19.413 1.00 53.55 H new ATOM 0 HB3 PRO A 65 -1.965 7.316 -19.420 1.00 53.55 H new ATOM 0 HG2 PRO A 65 -1.378 9.105 -21.700 1.00 42.41 H new ATOM 0 HG3 PRO A 65 -1.760 7.395 -21.717 1.00 42.41 H new ATOM 0 HD2 PRO A 65 -3.519 9.554 -22.401 1.00 54.32 H new ATOM 0 HD3 PRO A 65 -3.934 7.854 -22.306 1.00 54.32 H new ATOM 1010 N ALA A 66 -2.114 10.629 -18.078 1.00 23.33 N ATOM 1011 CA ALA A 66 -1.815 11.950 -17.552 1.00 51.13 C ATOM 1012 C ALA A 66 -0.411 11.947 -16.945 1.00 0.24 C ATOM 1013 O ALA A 66 0.096 10.899 -16.549 1.00 31.40 O ATOM 1014 CB ALA A 66 -2.888 12.351 -16.538 1.00 54.15 C ATOM 0 H ALA A 66 -1.466 9.898 -17.787 1.00 23.33 H new ATOM 0 HA ALA A 66 -1.827 12.692 -18.350 1.00 51.13 H new ATOM 0 HB1 ALA A 66 -2.664 13.342 -16.143 1.00 54.15 H new ATOM 0 HB2 ALA A 66 -3.862 12.367 -17.026 1.00 54.15 H new ATOM 0 HB3 ALA A 66 -2.904 11.630 -15.721 1.00 54.15 H new TER 1020 ALA A 66