USER MOD reduce.3.24.130724 H: found=0, std=0, add=656, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 653 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 Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 133:sc= 1.48 (180deg=0.276) USER MOD Single : A 2 GLN : amide:sc= 0.0456 K(o=0.046,f=-3.9!) USER MOD Single : A 3 THR OG1 : rot 180:sc= 0.0183 USER MOD Single : A 5 THR OG1 : rot 3:sc= 1.23 USER MOD Single : A 8 TYR OH : rot 150:sc= 0 USER MOD Single : A 9 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 13 LYS NZ :NH3+ 135:sc= 0.553 (180deg=-3.22!) USER MOD Single : A 16 THR OG1 : rot 180:sc= -0.689 USER MOD Single : A 18 LYS NZ :NH3+ 171:sc= -0.0391 (180deg=-0.18) USER MOD Single : A 20 ASN : amide:sc= 0 K(o=0,f=-0.88) USER MOD Single : A 21 ASN : amide:sc= -0.0797 X(o=-0.08,f=-0.38) USER MOD Single : A 24 GLN :FLIP amide:sc= 0 F(o=-0.6,f=0) USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 30 TYR OH : rot 180:sc= 0 USER MOD Single : A 32 ASN : amide:sc= -0.136 K(o=-0.14,f=-1.2) USER MOD Single : A 33 GLN : amide:sc= -0.223 X(o=-0.22,f=0) USER MOD Single : A 36 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 39 GLN : amide:sc= -0.164 X(o=-0.16,f=0) USER MOD Single : A 42 SER OG : rot 180:sc= 0.0761 USER MOD Single : A 44 SER OG : rot 180:sc= 0 USER MOD Single : A 48 TYR OH : rot -142:sc= 0.19 USER MOD Single : A 49 THR OG1 : rot 170:sc= -0.0691 USER MOD Single : A 53 TYR OH : rot 123:sc= 0.218 USER MOD Single : A 57 SER OG : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 168:sc= 0.98 (180deg=0.817) USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 65 TYR OH : rot 110:sc= 0.092 USER MOD Single : A 66 LYS NZ :NH3+ -160:sc= 1.23 (180deg=1.16) USER MOD Single : A 73 ASN :FLIP amide:sc= 0 F(o=-0.9!,f=0) USER MOD Single : A 74 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 76 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 78 GLN : amide:sc= 1.12 K(o=1.1,f=-0.77) USER MOD Single : A 79 ASN : amide:sc=-0.00648 K(o=-0.0065,f=-2.9!) USER MOD Single : A 81 GLN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 8.157 -22.002 -13.148 1.00 53.00 N ATOM 2 CA MET A 1 7.697 -20.621 -13.246 1.00 1.00 C ATOM 3 C MET A 1 6.319 -20.638 -13.841 1.00 53.00 C ATOM 4 O MET A 1 5.858 -21.686 -14.302 1.00 51.00 O ATOM 5 CB MET A 1 8.625 -19.776 -14.161 1.00 14.00 C ATOM 6 CG MET A 1 10.082 -19.639 -13.710 1.00 64.00 C ATOM 7 SD MET A 1 10.999 -21.199 -13.748 1.00 0.00 S ATOM 8 CE MET A 1 12.632 -20.634 -13.262 1.00 62.00 C ATOM 0 H1 MET A 1 9.127 -22.072 -13.518 1.00 53.00 H new ATOM 0 H2 MET A 1 8.144 -22.303 -12.152 1.00 53.00 H new ATOM 0 H3 MET A 1 7.529 -22.617 -13.704 1.00 53.00 H new ATOM 0 HA MET A 1 7.703 -20.173 -12.252 1.00 1.00 H new ATOM 0 HB2 MET A 1 8.616 -20.217 -15.158 1.00 14.00 H new ATOM 0 HB3 MET A 1 8.199 -18.777 -14.250 1.00 14.00 H new ATOM 0 HG2 MET A 1 10.586 -18.915 -14.350 1.00 64.00 H new ATOM 0 HG3 MET A 1 10.104 -19.238 -12.697 1.00 64.00 H new ATOM 0 HE1 MET A 1 13.318 -21.481 -13.237 1.00 62.00 H new ATOM 0 HE2 MET A 1 12.991 -19.897 -13.981 1.00 62.00 H new ATOM 0 HE3 MET A 1 12.580 -20.180 -12.272 1.00 62.00 H new ATOM 18 N GLN A 2 5.638 -19.529 -13.808 1.00 2.00 N ATOM 19 CA GLN A 2 4.406 -19.424 -14.529 1.00 33.00 C ATOM 20 C GLN A 2 4.736 -18.792 -15.845 1.00 54.00 C ATOM 21 O GLN A 2 5.370 -17.729 -15.865 1.00 3.00 O ATOM 22 CB GLN A 2 3.364 -18.563 -13.798 1.00 2.00 C ATOM 23 CG GLN A 2 2.838 -19.140 -12.497 1.00 72.00 C ATOM 24 CD GLN A 2 1.877 -18.187 -11.793 1.00 51.00 C ATOM 25 OE1 GLN A 2 1.999 -16.961 -11.896 1.00 14.00 O ATOM 26 NE2 GLN A 2 0.919 -18.729 -11.089 1.00 13.00 N ATOM 0 H GLN A 2 5.913 -18.692 -13.294 1.00 2.00 H new ATOM 0 HA GLN A 2 3.966 -20.415 -14.638 1.00 33.00 H new ATOM 0 HB2 GLN A 2 3.805 -17.588 -13.591 1.00 2.00 H new ATOM 0 HB3 GLN A 2 2.521 -18.396 -14.469 1.00 2.00 H new ATOM 0 HG2 GLN A 2 2.330 -20.083 -12.699 1.00 72.00 H new ATOM 0 HG3 GLN A 2 3.675 -19.364 -11.836 1.00 72.00 H new ATOM 0 HE21 GLN A 2 0.846 -19.744 -11.024 1.00 13.00 H new ATOM 0 HE22 GLN A 2 0.244 -18.137 -10.605 1.00 13.00 H new ATOM 35 N THR A 3 4.406 -19.461 -16.920 1.00 2.00 N ATOM 36 CA THR A 3 4.578 -18.922 -18.239 1.00 42.00 C ATOM 37 C THR A 3 3.679 -17.716 -18.309 1.00 15.00 C ATOM 38 O THR A 3 2.470 -17.844 -18.148 1.00 2.00 O ATOM 39 CB THR A 3 4.189 -19.992 -19.247 1.00 44.00 C ATOM 40 OG1 THR A 3 4.742 -21.245 -18.787 1.00 45.00 O ATOM 41 CG2 THR A 3 4.788 -19.692 -20.596 1.00 31.00 C ATOM 0 H THR A 3 4.008 -20.400 -16.902 1.00 2.00 H new ATOM 0 HA THR A 3 5.604 -18.628 -18.460 1.00 42.00 H new ATOM 0 HB THR A 3 3.103 -20.029 -19.337 1.00 44.00 H new ATOM 0 HG1 THR A 3 4.506 -21.958 -19.417 1.00 45.00 H new ATOM 0 HG21 THR A 3 4.498 -20.469 -21.304 1.00 31.00 H new ATOM 0 HG22 THR A 3 4.425 -18.726 -20.949 1.00 31.00 H new ATOM 0 HG23 THR A 3 5.874 -19.663 -20.513 1.00 31.00 H new ATOM 49 N ASP A 4 4.306 -16.582 -18.565 1.00 2.00 N ATOM 50 CA ASP A 4 3.770 -15.221 -18.354 1.00 50.00 C ATOM 51 C ASP A 4 2.284 -15.125 -18.689 1.00 52.00 C ATOM 52 O ASP A 4 1.847 -15.379 -19.784 1.00 33.00 O ATOM 53 CB ASP A 4 4.660 -14.261 -19.119 1.00 4.00 C ATOM 54 CG ASP A 4 4.495 -12.802 -18.833 1.00 63.00 C ATOM 55 OD1 ASP A 4 5.006 -12.358 -17.779 1.00 65.00 O ATOM 56 OD2 ASP A 4 3.993 -12.065 -19.689 1.00 51.00 O ATOM 0 H ASP A 4 5.252 -16.569 -18.946 1.00 2.00 H new ATOM 0 HA ASP A 4 3.799 -14.947 -17.299 1.00 50.00 H new ATOM 0 HB2 ASP A 4 5.697 -14.529 -18.919 1.00 4.00 H new ATOM 0 HB3 ASP A 4 4.490 -14.418 -20.184 1.00 4.00 H new ATOM 61 N THR A 5 1.525 -14.816 -17.714 1.00 71.00 N ATOM 62 CA THR A 5 0.072 -14.977 -17.812 1.00 62.00 C ATOM 63 C THR A 5 -0.693 -13.674 -17.621 1.00 5.00 C ATOM 64 O THR A 5 -0.331 -12.842 -16.791 1.00 62.00 O ATOM 65 CB THR A 5 -0.434 -16.049 -16.782 1.00 73.00 C ATOM 66 OG1 THR A 5 0.191 -17.312 -17.005 1.00 54.00 O ATOM 67 CG2 THR A 5 -1.943 -16.236 -16.828 1.00 71.00 C ATOM 0 H THR A 5 1.855 -14.446 -16.822 1.00 71.00 H new ATOM 0 HA THR A 5 -0.128 -15.316 -18.828 1.00 62.00 H new ATOM 0 HB THR A 5 -0.163 -15.668 -15.797 1.00 73.00 H new ATOM 0 HG1 THR A 5 0.847 -17.229 -17.729 1.00 54.00 H new ATOM 0 HG21 THR A 5 -2.239 -16.988 -16.096 1.00 71.00 H new ATOM 0 HG22 THR A 5 -2.434 -15.291 -16.596 1.00 71.00 H new ATOM 0 HG23 THR A 5 -2.239 -16.564 -17.825 1.00 71.00 H new ATOM 75 N LEU A 6 -1.762 -13.505 -18.409 1.00 25.00 N ATOM 76 CA LEU A 6 -2.620 -12.375 -18.299 1.00 23.00 C ATOM 77 C LEU A 6 -3.481 -12.375 -17.014 1.00 11.00 C ATOM 78 O LEU A 6 -3.180 -13.098 -16.075 1.00 72.00 O ATOM 79 CB LEU A 6 -3.400 -12.164 -19.602 1.00 72.00 C ATOM 80 CG LEU A 6 -2.603 -11.384 -20.657 1.00 24.00 C ATOM 81 CD1 LEU A 6 -1.388 -12.107 -21.192 1.00 55.00 C ATOM 82 CD2 LEU A 6 -3.458 -10.791 -21.749 1.00 12.00 C ATOM 0 H LEU A 6 -2.036 -14.165 -19.136 1.00 25.00 H new ATOM 0 HA LEU A 6 -1.997 -11.490 -18.169 1.00 23.00 H new ATOM 0 HB2 LEU A 6 -3.682 -13.134 -20.011 1.00 72.00 H new ATOM 0 HB3 LEU A 6 -4.324 -11.629 -19.384 1.00 72.00 H new ATOM 0 HG LEU A 6 -2.200 -10.538 -20.100 1.00 24.00 H new ATOM 0 HD11 LEU A 6 -0.888 -11.481 -21.931 1.00 55.00 H new ATOM 0 HD12 LEU A 6 -0.701 -12.320 -20.373 1.00 55.00 H new ATOM 0 HD13 LEU A 6 -1.697 -13.042 -21.659 1.00 55.00 H new ATOM 0 HD21 LEU A 6 -2.825 -10.255 -22.456 1.00 12.00 H new ATOM 0 HD22 LEU A 6 -3.989 -11.588 -22.269 1.00 12.00 H new ATOM 0 HD23 LEU A 6 -4.179 -10.100 -21.312 1.00 12.00 H new ATOM 94 N GLU A 7 -4.566 -11.574 -16.983 1.00 51.00 N ATOM 95 CA GLU A 7 -5.316 -11.350 -15.758 1.00 20.00 C ATOM 96 C GLU A 7 -6.016 -12.644 -15.356 1.00 43.00 C ATOM 97 O GLU A 7 -6.390 -12.862 -14.197 1.00 44.00 O ATOM 98 CB GLU A 7 -6.360 -10.240 -15.957 1.00 14.00 C ATOM 99 CG GLU A 7 -7.001 -9.837 -14.648 1.00 71.00 C ATOM 100 CD GLU A 7 -8.006 -8.725 -14.755 1.00 24.00 C ATOM 101 OE1 GLU A 7 -7.645 -7.631 -15.151 1.00 42.00 O ATOM 102 OE2 GLU A 7 -9.175 -8.923 -14.412 1.00 30.00 O ATOM 0 H GLU A 7 -4.931 -11.079 -17.797 1.00 51.00 H new ATOM 0 HA GLU A 7 -4.626 -11.040 -14.973 1.00 20.00 H new ATOM 0 HB2 GLU A 7 -5.886 -9.371 -16.413 1.00 14.00 H new ATOM 0 HB3 GLU A 7 -7.129 -10.583 -16.649 1.00 14.00 H new ATOM 0 HG2 GLU A 7 -7.490 -10.710 -14.215 1.00 71.00 H new ATOM 0 HG3 GLU A 7 -6.217 -9.534 -13.954 1.00 71.00 H new ATOM 109 N TYR A 8 -6.160 -13.495 -16.364 1.00 72.00 N ATOM 110 CA TYR A 8 -6.780 -14.791 -16.345 1.00 61.00 C ATOM 111 C TYR A 8 -8.182 -14.835 -15.751 1.00 12.00 C ATOM 112 O TYR A 8 -8.720 -15.906 -15.508 1.00 24.00 O ATOM 113 CB TYR A 8 -5.858 -15.920 -15.830 1.00 53.00 C ATOM 114 CG TYR A 8 -5.431 -15.885 -14.367 1.00 23.00 C ATOM 115 CD1 TYR A 8 -6.191 -16.509 -13.391 1.00 34.00 C ATOM 116 CD2 TYR A 8 -4.258 -15.255 -13.974 1.00 35.00 C ATOM 117 CE1 TYR A 8 -5.805 -16.501 -12.070 1.00 51.00 C ATOM 118 CE2 TYR A 8 -3.862 -15.246 -12.655 1.00 70.00 C ATOM 119 CZ TYR A 8 -4.641 -15.868 -11.707 1.00 61.00 C ATOM 120 OH TYR A 8 -4.247 -15.872 -10.392 1.00 21.00 O ATOM 0 H TYR A 8 -5.810 -13.264 -17.294 1.00 72.00 H new ATOM 0 HA TYR A 8 -6.940 -15.004 -17.402 1.00 61.00 H new ATOM 0 HB2 TYR A 8 -6.362 -16.870 -16.008 1.00 53.00 H new ATOM 0 HB3 TYR A 8 -4.955 -15.919 -16.441 1.00 53.00 H new ATOM 0 HD1 TYR A 8 -7.105 -17.012 -13.672 1.00 34.00 H new ATOM 0 HD2 TYR A 8 -3.645 -14.763 -14.715 1.00 35.00 H new ATOM 0 HE1 TYR A 8 -6.413 -16.989 -11.323 1.00 51.00 H new ATOM 0 HE2 TYR A 8 -2.945 -14.753 -12.367 1.00 70.00 H new ATOM 0 HH TYR A 8 -3.269 -15.840 -10.344 1.00 21.00 H new ATOM 130 N GLN A 9 -8.796 -13.695 -15.626 1.00 32.00 N ATOM 131 CA GLN A 9 -10.090 -13.553 -15.034 1.00 23.00 C ATOM 132 C GLN A 9 -10.767 -12.441 -15.715 1.00 44.00 C ATOM 133 O GLN A 9 -10.487 -11.286 -15.464 1.00 0.00 O ATOM 134 CB GLN A 9 -9.990 -13.276 -13.542 1.00 3.00 C ATOM 135 CG GLN A 9 -9.548 -14.466 -12.751 1.00 74.00 C ATOM 136 CD GLN A 9 -9.332 -14.154 -11.293 1.00 70.00 C ATOM 137 OE1 GLN A 9 -10.246 -14.253 -10.476 1.00 32.00 O ATOM 138 NE2 GLN A 9 -8.128 -13.787 -10.953 1.00 24.00 N ATOM 0 H GLN A 9 -8.396 -12.812 -15.944 1.00 32.00 H new ATOM 0 HA GLN A 9 -10.653 -14.480 -15.148 1.00 23.00 H new ATOM 0 HB2 GLN A 9 -9.289 -12.457 -13.377 1.00 3.00 H new ATOM 0 HB3 GLN A 9 -10.961 -12.944 -13.175 1.00 3.00 H new ATOM 0 HG2 GLN A 9 -10.295 -15.254 -12.842 1.00 74.00 H new ATOM 0 HG3 GLN A 9 -8.622 -14.854 -13.175 1.00 74.00 H new ATOM 0 HE21 GLN A 9 -7.397 -13.717 -11.661 1.00 24.00 H new ATOM 0 HE22 GLN A 9 -7.917 -13.570 -9.979 1.00 24.00 H new ATOM 147 N CYS A 10 -11.598 -12.777 -16.604 1.00 24.00 N ATOM 148 CA CYS A 10 -12.246 -11.794 -17.408 1.00 21.00 C ATOM 149 C CYS A 10 -13.707 -12.146 -17.514 1.00 42.00 C ATOM 150 O CYS A 10 -14.086 -13.304 -17.311 1.00 5.00 O ATOM 151 CB CYS A 10 -11.580 -11.714 -18.797 1.00 34.00 C ATOM 152 SG CYS A 10 -9.770 -11.453 -18.761 1.00 34.00 S ATOM 0 H CYS A 10 -11.862 -13.740 -16.810 1.00 24.00 H new ATOM 0 HA CYS A 10 -12.152 -10.810 -16.948 1.00 21.00 H new ATOM 0 HB2 CYS A 10 -11.790 -12.636 -19.340 1.00 34.00 H new ATOM 0 HB3 CYS A 10 -12.040 -10.901 -19.359 1.00 34.00 H new ATOM 157 N ASP A 11 -14.509 -11.160 -17.823 1.00 74.00 N ATOM 158 CA ASP A 11 -15.963 -11.291 -17.895 1.00 33.00 C ATOM 159 C ASP A 11 -16.394 -12.270 -18.953 1.00 45.00 C ATOM 160 O ASP A 11 -17.328 -13.058 -18.752 1.00 72.00 O ATOM 161 CB ASP A 11 -16.610 -9.937 -18.187 1.00 34.00 C ATOM 162 CG ASP A 11 -16.382 -8.912 -17.108 1.00 41.00 C ATOM 163 OD1 ASP A 11 -17.171 -8.855 -16.140 1.00 34.00 O ATOM 164 OD2 ASP A 11 -15.404 -8.146 -17.197 1.00 52.00 O ATOM 0 H ASP A 11 -14.175 -10.221 -18.038 1.00 74.00 H new ATOM 0 HA ASP A 11 -16.290 -11.664 -16.924 1.00 33.00 H new ATOM 0 HB2 ASP A 11 -16.219 -9.553 -19.129 1.00 34.00 H new ATOM 0 HB3 ASP A 11 -17.682 -10.078 -18.321 1.00 34.00 H new ATOM 169 N GLU A 12 -15.701 -12.254 -20.066 1.00 63.00 N ATOM 170 CA GLU A 12 -16.069 -13.053 -21.169 1.00 63.00 C ATOM 171 C GLU A 12 -15.532 -14.467 -21.016 1.00 11.00 C ATOM 172 O GLU A 12 -16.275 -15.425 -21.195 1.00 63.00 O ATOM 173 CB GLU A 12 -15.688 -12.338 -22.492 1.00 13.00 C ATOM 174 CG GLU A 12 -15.985 -13.093 -23.782 1.00 11.00 C ATOM 175 CD GLU A 12 -15.893 -12.215 -25.039 1.00 50.00 C ATOM 176 OE1 GLU A 12 -15.053 -11.265 -25.104 1.00 0.00 O ATOM 177 OE2 GLU A 12 -16.672 -12.459 -25.992 1.00 35.00 O ATOM 0 H GLU A 12 -14.870 -11.682 -20.215 1.00 63.00 H new ATOM 0 HA GLU A 12 -17.151 -13.175 -21.206 1.00 63.00 H new ATOM 0 HB2 GLU A 12 -16.212 -11.383 -22.527 1.00 13.00 H new ATOM 0 HB3 GLU A 12 -14.621 -12.115 -22.465 1.00 13.00 H new ATOM 0 HG2 GLU A 12 -15.286 -13.924 -23.877 1.00 11.00 H new ATOM 0 HG3 GLU A 12 -16.985 -13.523 -23.721 1.00 11.00 H new ATOM 184 N LYS A 13 -14.284 -14.599 -20.578 1.00 13.00 N ATOM 185 CA LYS A 13 -13.614 -15.910 -20.426 1.00 23.00 C ATOM 186 C LYS A 13 -12.496 -15.682 -19.463 1.00 11.00 C ATOM 187 O LYS A 13 -12.081 -14.550 -19.310 1.00 41.00 O ATOM 188 CB LYS A 13 -12.878 -16.335 -21.714 1.00 74.00 C ATOM 189 CG LYS A 13 -13.572 -16.061 -23.003 1.00 12.00 C ATOM 190 CD LYS A 13 -14.806 -16.950 -23.314 1.00 23.00 C ATOM 191 CE LYS A 13 -14.500 -18.441 -23.524 1.00 62.00 C ATOM 192 NZ LYS A 13 -14.282 -19.191 -22.264 1.00 73.00 N ATOM 0 H LYS A 13 -13.698 -13.806 -20.315 1.00 13.00 H new ATOM 0 HA LYS A 13 -14.363 -16.649 -20.143 1.00 23.00 H new ATOM 0 HB2 LYS A 13 -11.911 -15.832 -21.735 1.00 74.00 H new ATOM 0 HB3 LYS A 13 -12.680 -17.405 -21.655 1.00 74.00 H new ATOM 0 HG2 LYS A 13 -13.890 -15.018 -23.007 1.00 12.00 H new ATOM 0 HG3 LYS A 13 -12.852 -16.178 -23.813 1.00 12.00 H new ATOM 0 HD2 LYS A 13 -15.519 -16.853 -22.495 1.00 23.00 H new ATOM 0 HD3 LYS A 13 -15.294 -16.566 -24.209 1.00 23.00 H new ATOM 0 HE2 LYS A 13 -15.325 -18.898 -24.070 1.00 62.00 H new ATOM 0 HE3 LYS A 13 -13.613 -18.535 -24.150 1.00 62.00 H new ATOM 0 HZ1 LYS A 13 -14.802 -20.091 -22.301 1.00 73.00 H new ATOM 0 HZ2 LYS A 13 -13.267 -19.383 -22.145 1.00 73.00 H new ATOM 0 HZ3 LYS A 13 -14.624 -18.626 -21.460 1.00 73.00 H new ATOM 206 N PRO A 14 -11.983 -16.699 -18.798 1.00 61.00 N ATOM 207 CA PRO A 14 -10.747 -16.542 -18.066 1.00 44.00 C ATOM 208 C PRO A 14 -9.584 -16.415 -19.090 1.00 32.00 C ATOM 209 O PRO A 14 -9.303 -17.353 -19.835 1.00 33.00 O ATOM 210 CB PRO A 14 -10.637 -17.828 -17.236 1.00 43.00 C ATOM 211 CG PRO A 14 -11.495 -18.828 -17.943 1.00 31.00 C ATOM 212 CD PRO A 14 -12.574 -18.047 -18.642 1.00 74.00 C ATOM 0 HA PRO A 14 -10.711 -15.659 -17.428 1.00 44.00 H new ATOM 0 HB2 PRO A 14 -9.604 -18.170 -17.175 1.00 43.00 H new ATOM 0 HB3 PRO A 14 -10.981 -17.667 -16.214 1.00 43.00 H new ATOM 0 HG2 PRO A 14 -10.909 -19.405 -18.658 1.00 31.00 H new ATOM 0 HG3 PRO A 14 -11.926 -19.538 -17.237 1.00 31.00 H new ATOM 0 HD2 PRO A 14 -12.827 -18.488 -19.606 1.00 74.00 H new ATOM 0 HD3 PRO A 14 -13.492 -18.017 -18.055 1.00 74.00 H new ATOM 220 N LEU A 15 -8.903 -15.279 -19.109 1.00 10.00 N ATOM 221 CA LEU A 15 -7.951 -14.989 -20.156 1.00 23.00 C ATOM 222 C LEU A 15 -6.619 -15.446 -19.709 1.00 12.00 C ATOM 223 O LEU A 15 -5.821 -14.670 -19.154 1.00 22.00 O ATOM 224 CB LEU A 15 -7.902 -13.497 -20.451 1.00 24.00 C ATOM 225 CG LEU A 15 -7.018 -13.058 -21.616 1.00 42.00 C ATOM 226 CD1 LEU A 15 -7.564 -13.588 -22.915 1.00 51.00 C ATOM 227 CD2 LEU A 15 -6.927 -11.552 -21.666 1.00 31.00 C ATOM 0 H LEU A 15 -8.996 -14.545 -18.407 1.00 10.00 H new ATOM 0 HA LEU A 15 -8.252 -15.504 -21.068 1.00 23.00 H new ATOM 0 HB2 LEU A 15 -8.918 -13.155 -20.647 1.00 24.00 H new ATOM 0 HB3 LEU A 15 -7.561 -12.983 -19.552 1.00 24.00 H new ATOM 0 HG LEU A 15 -6.018 -13.464 -21.465 1.00 42.00 H new ATOM 0 HD11 LEU A 15 -6.924 -13.267 -23.737 1.00 51.00 H new ATOM 0 HD12 LEU A 15 -7.592 -14.677 -22.881 1.00 51.00 H new ATOM 0 HD13 LEU A 15 -8.572 -13.204 -23.070 1.00 51.00 H new ATOM 0 HD21 LEU A 15 -6.294 -11.253 -22.501 1.00 31.00 H new ATOM 0 HD22 LEU A 15 -7.924 -11.131 -21.798 1.00 31.00 H new ATOM 0 HD23 LEU A 15 -6.498 -11.182 -20.735 1.00 31.00 H new ATOM 239 N THR A 16 -6.384 -16.679 -19.873 1.00 10.00 N ATOM 240 CA THR A 16 -5.211 -17.212 -19.361 1.00 30.00 C ATOM 241 C THR A 16 -4.253 -17.512 -20.507 1.00 53.00 C ATOM 242 O THR A 16 -4.490 -18.408 -21.308 1.00 42.00 O ATOM 243 CB THR A 16 -5.512 -18.477 -18.547 1.00 70.00 C ATOM 244 OG1 THR A 16 -6.737 -18.263 -17.788 1.00 53.00 O ATOM 245 CG2 THR A 16 -4.377 -18.741 -17.574 1.00 72.00 C ATOM 0 H THR A 16 -6.993 -17.336 -20.360 1.00 10.00 H new ATOM 0 HA THR A 16 -4.743 -16.490 -18.692 1.00 30.00 H new ATOM 0 HB THR A 16 -5.622 -19.327 -19.220 1.00 70.00 H new ATOM 0 HG1 THR A 16 -6.942 -19.066 -17.264 1.00 53.00 H new ATOM 0 HG21 THR A 16 -4.594 -19.640 -16.997 1.00 72.00 H new ATOM 0 HG22 THR A 16 -3.448 -18.880 -18.127 1.00 72.00 H new ATOM 0 HG23 THR A 16 -4.273 -17.893 -16.898 1.00 72.00 H new ATOM 253 N VAL A 17 -3.220 -16.733 -20.602 1.00 13.00 N ATOM 254 CA VAL A 17 -2.238 -16.890 -21.646 1.00 62.00 C ATOM 255 C VAL A 17 -0.987 -17.393 -21.024 1.00 45.00 C ATOM 256 O VAL A 17 -0.690 -17.037 -19.906 1.00 75.00 O ATOM 257 CB VAL A 17 -1.919 -15.537 -22.338 1.00 44.00 C ATOM 258 CG1 VAL A 17 -0.928 -15.711 -23.494 1.00 12.00 C ATOM 259 CG2 VAL A 17 -3.187 -14.847 -22.816 1.00 23.00 C ATOM 0 H VAL A 17 -3.028 -15.966 -19.958 1.00 13.00 H new ATOM 0 HA VAL A 17 -2.632 -17.578 -22.394 1.00 62.00 H new ATOM 0 HB VAL A 17 -1.448 -14.899 -21.590 1.00 44.00 H new ATOM 0 HG11 VAL A 17 -0.730 -14.742 -23.953 1.00 12.00 H new ATOM 0 HG12 VAL A 17 0.004 -16.130 -23.114 1.00 12.00 H new ATOM 0 HG13 VAL A 17 -1.352 -16.385 -24.238 1.00 12.00 H new ATOM 0 HG21 VAL A 17 -2.929 -13.903 -23.296 1.00 23.00 H new ATOM 0 HG22 VAL A 17 -3.703 -15.488 -23.531 1.00 23.00 H new ATOM 0 HG23 VAL A 17 -3.840 -14.655 -21.964 1.00 23.00 H new ATOM 269 N LYS A 18 -0.296 -18.252 -21.699 1.00 54.00 N ATOM 270 CA LYS A 18 0.972 -18.659 -21.259 1.00 54.00 C ATOM 271 C LYS A 18 1.939 -18.052 -22.210 1.00 31.00 C ATOM 272 O LYS A 18 2.244 -18.633 -23.253 1.00 72.00 O ATOM 273 CB LYS A 18 1.135 -20.178 -21.262 1.00 42.00 C ATOM 274 CG LYS A 18 0.518 -20.961 -20.095 1.00 42.00 C ATOM 275 CD LYS A 18 -0.972 -20.737 -19.889 1.00 64.00 C ATOM 276 CE LYS A 18 -1.534 -21.685 -18.821 1.00 75.00 C ATOM 277 NZ LYS A 18 -0.770 -21.642 -17.543 1.00 0.00 N ATOM 0 H LYS A 18 -0.606 -18.684 -22.569 1.00 54.00 H new ATOM 0 HA LYS A 18 1.130 -18.340 -20.229 1.00 54.00 H new ATOM 0 HB2 LYS A 18 0.705 -20.560 -22.188 1.00 42.00 H new ATOM 0 HB3 LYS A 18 2.201 -20.401 -21.290 1.00 42.00 H new ATOM 0 HG2 LYS A 18 0.691 -22.025 -20.259 1.00 42.00 H new ATOM 0 HG3 LYS A 18 1.041 -20.690 -19.178 1.00 42.00 H new ATOM 0 HD2 LYS A 18 -1.149 -19.704 -19.591 1.00 64.00 H new ATOM 0 HD3 LYS A 18 -1.499 -20.892 -20.830 1.00 64.00 H new ATOM 0 HE2 LYS A 18 -2.574 -21.426 -18.625 1.00 75.00 H new ATOM 0 HE3 LYS A 18 -1.527 -22.704 -19.208 1.00 75.00 H new ATOM 0 HZ1 LYS A 18 -1.280 -22.182 -16.815 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 0.172 -22.059 -17.687 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -0.667 -20.655 -17.233 1.00 0.00 H new ATOM 291 N LEU A 19 2.299 -16.852 -21.927 1.00 70.00 N ATOM 292 CA LEU A 19 3.240 -16.128 -22.695 1.00 72.00 C ATOM 293 C LEU A 19 4.575 -16.694 -22.418 1.00 11.00 C ATOM 294 O LEU A 19 5.119 -16.550 -21.323 1.00 32.00 O ATOM 295 CB LEU A 19 3.219 -14.661 -22.312 1.00 71.00 C ATOM 296 CG LEU A 19 2.071 -13.793 -22.847 1.00 22.00 C ATOM 297 CD1 LEU A 19 2.049 -12.456 -22.136 1.00 14.00 C ATOM 298 CD2 LEU A 19 2.246 -13.547 -24.329 1.00 41.00 C ATOM 0 H LEU A 19 1.934 -16.333 -21.129 1.00 70.00 H new ATOM 0 HA LEU A 19 2.998 -16.206 -23.755 1.00 72.00 H new ATOM 0 HB2 LEU A 19 3.205 -14.600 -21.224 1.00 71.00 H new ATOM 0 HB3 LEU A 19 4.157 -14.216 -22.644 1.00 71.00 H new ATOM 0 HG LEU A 19 1.135 -14.322 -22.668 1.00 22.00 H new ATOM 0 HD11 LEU A 19 1.230 -11.851 -22.525 1.00 14.00 H new ATOM 0 HD12 LEU A 19 1.907 -12.615 -21.067 1.00 14.00 H new ATOM 0 HD13 LEU A 19 2.994 -11.939 -22.304 1.00 14.00 H new ATOM 0 HD21 LEU A 19 1.425 -12.930 -24.695 1.00 41.00 H new ATOM 0 HD22 LEU A 19 3.191 -13.033 -24.503 1.00 41.00 H new ATOM 0 HD23 LEU A 19 2.248 -14.500 -24.858 1.00 41.00 H new ATOM 310 N ASN A 20 5.080 -17.382 -23.357 1.00 74.00 N ATOM 311 CA ASN A 20 6.394 -17.947 -23.196 1.00 31.00 C ATOM 312 C ASN A 20 7.370 -16.810 -23.273 1.00 22.00 C ATOM 313 O ASN A 20 7.280 -16.028 -24.169 1.00 72.00 O ATOM 314 CB ASN A 20 6.666 -18.999 -24.261 1.00 14.00 C ATOM 315 CG ASN A 20 8.060 -19.601 -24.183 1.00 13.00 C ATOM 316 OD1 ASN A 20 8.691 -19.663 -23.113 1.00 55.00 O ATOM 317 ND2 ASN A 20 8.540 -20.072 -25.295 1.00 23.00 N ATOM 0 H ASN A 20 4.625 -17.579 -24.248 1.00 74.00 H new ATOM 0 HA ASN A 20 6.487 -18.457 -22.237 1.00 31.00 H new ATOM 0 HB2 ASN A 20 5.929 -19.797 -24.167 1.00 14.00 H new ATOM 0 HB3 ASN A 20 6.528 -18.551 -25.245 1.00 14.00 H new ATOM 0 HD21 ASN A 20 9.461 -20.509 -25.308 1.00 23.00 H new ATOM 0 HD22 ASN A 20 7.995 -20.004 -26.155 1.00 23.00 H new ATOM 324 N ASN A 21 8.303 -16.786 -22.344 1.00 63.00 N ATOM 325 CA ASN A 21 9.193 -15.638 -22.021 1.00 35.00 C ATOM 326 C ASN A 21 9.696 -14.763 -23.194 1.00 1.00 C ATOM 327 O ASN A 21 9.572 -13.542 -23.109 1.00 22.00 O ATOM 328 CB ASN A 21 10.337 -16.079 -21.123 1.00 65.00 C ATOM 329 CG ASN A 21 9.838 -16.681 -19.828 1.00 3.00 C ATOM 330 OD1 ASN A 21 9.638 -17.893 -19.741 1.00 12.00 O ATOM 331 ND2 ASN A 21 9.599 -15.861 -18.840 1.00 5.00 N ATOM 0 H ASN A 21 8.488 -17.596 -21.752 1.00 63.00 H new ATOM 0 HA ASN A 21 8.531 -14.953 -21.491 1.00 35.00 H new ATOM 0 HB2 ASN A 21 10.951 -16.809 -21.650 1.00 65.00 H new ATOM 0 HB3 ASN A 21 10.976 -15.224 -20.903 1.00 65.00 H new ATOM 0 HD21 ASN A 21 9.234 -16.219 -17.957 1.00 5.00 H new ATOM 0 HD22 ASN A 21 9.778 -14.863 -18.951 1.00 5.00 H new ATOM 338 N PRO A 22 10.290 -15.326 -24.295 1.00 33.00 N ATOM 339 CA PRO A 22 10.698 -14.511 -25.465 1.00 71.00 C ATOM 340 C PRO A 22 9.490 -13.804 -26.123 1.00 0.00 C ATOM 341 O PRO A 22 9.617 -12.766 -26.775 1.00 75.00 O ATOM 342 CB PRO A 22 11.300 -15.542 -26.427 1.00 33.00 C ATOM 343 CG PRO A 22 10.794 -16.846 -25.951 1.00 23.00 C ATOM 344 CD PRO A 22 10.679 -16.730 -24.471 1.00 15.00 C ATOM 0 HA PRO A 22 11.389 -13.714 -25.190 1.00 71.00 H new ATOM 0 HB2 PRO A 22 10.992 -15.350 -27.455 1.00 33.00 H new ATOM 0 HB3 PRO A 22 12.389 -15.510 -26.409 1.00 33.00 H new ATOM 0 HG2 PRO A 22 9.828 -17.076 -26.400 1.00 23.00 H new ATOM 0 HG3 PRO A 22 11.474 -17.652 -26.227 1.00 23.00 H new ATOM 0 HD2 PRO A 22 9.931 -17.413 -24.067 1.00 15.00 H new ATOM 0 HD3 PRO A 22 11.621 -16.956 -23.971 1.00 15.00 H new ATOM 352 N ARG A 23 8.337 -14.384 -25.889 1.00 41.00 N ATOM 353 CA ARG A 23 7.045 -13.962 -26.358 1.00 5.00 C ATOM 354 C ARG A 23 6.878 -13.987 -27.840 1.00 0.00 C ATOM 355 O ARG A 23 6.836 -12.970 -28.528 1.00 11.00 O ATOM 356 CB ARG A 23 6.465 -12.752 -25.623 1.00 15.00 C ATOM 357 CG ARG A 23 6.203 -13.088 -24.149 1.00 15.00 C ATOM 358 CD ARG A 23 5.553 -11.965 -23.350 1.00 21.00 C ATOM 359 NE ARG A 23 6.427 -10.820 -23.125 1.00 71.00 N ATOM 360 CZ ARG A 23 6.285 -9.950 -22.105 1.00 1.00 C ATOM 361 NH1 ARG A 23 5.408 -10.190 -21.113 1.00 33.00 N ATOM 362 NH2 ARG A 23 7.059 -8.871 -22.044 1.00 53.00 N ATOM 0 H ARG A 23 8.277 -15.229 -25.321 1.00 41.00 H new ATOM 0 HA ARG A 23 6.369 -14.759 -26.048 1.00 5.00 H new ATOM 0 HB2 ARG A 23 7.156 -11.912 -25.692 1.00 15.00 H new ATOM 0 HB3 ARG A 23 5.536 -12.441 -26.101 1.00 15.00 H new ATOM 0 HG2 ARG A 23 5.564 -13.969 -24.099 1.00 15.00 H new ATOM 0 HG3 ARG A 23 7.149 -13.353 -23.676 1.00 15.00 H new ATOM 0 HD2 ARG A 23 4.658 -11.630 -23.874 1.00 21.00 H new ATOM 0 HD3 ARG A 23 5.229 -12.358 -22.386 1.00 21.00 H new ATOM 0 HE ARG A 23 7.194 -10.668 -23.780 1.00 71.00 H new ATOM 0 HH11 ARG A 23 4.841 -11.038 -21.127 1.00 33.00 H new ATOM 0 HH12 ARG A 23 5.310 -9.524 -20.347 1.00 33.00 H new ATOM 0 HH21 ARG A 23 7.758 -8.703 -22.768 1.00 53.00 H new ATOM 0 HH22 ARG A 23 6.954 -8.211 -21.274 1.00 53.00 H new ATOM 376 N GLN A 24 6.890 -15.209 -28.313 1.00 20.00 N ATOM 377 CA GLN A 24 6.681 -15.561 -29.679 1.00 4.00 C ATOM 378 C GLN A 24 5.676 -16.722 -29.741 1.00 24.00 C ATOM 379 O GLN A 24 5.252 -17.141 -30.818 1.00 32.00 O ATOM 380 CB GLN A 24 7.994 -16.000 -30.348 1.00 51.00 C ATOM 381 CG GLN A 24 9.091 -14.948 -30.388 1.00 22.00 C ATOM 382 CD GLN A 24 10.367 -15.478 -31.010 1.00 22.00 C ATOM 383 OE1 GLN A 24 11.244 -16.015 -30.205 1.00 55.00 O flip ATOM 384 NE2 GLN A 24 10.565 -15.402 -32.216 1.00 12.00 N flip ATOM 0 H GLN A 24 7.055 -16.020 -27.717 1.00 20.00 H new ATOM 0 HA GLN A 24 6.300 -14.688 -30.209 1.00 4.00 H new ATOM 0 HB2 GLN A 24 8.374 -16.876 -29.823 1.00 51.00 H new ATOM 0 HB3 GLN A 24 7.775 -16.311 -31.370 1.00 51.00 H new ATOM 0 HG2 GLN A 24 8.744 -14.084 -30.955 1.00 22.00 H new ATOM 0 HG3 GLN A 24 9.298 -14.602 -29.375 1.00 22.00 H new ATOM 0 HE21 GLN A 24 9.863 -14.978 -32.822 1.00 12.00 H new ATOM 0 HE22 GLN A 24 11.432 -15.763 -32.614 1.00 12.00 H new ATOM 393 N GLU A 25 5.273 -17.210 -28.580 1.00 53.00 N ATOM 394 CA GLU A 25 4.433 -18.385 -28.486 1.00 43.00 C ATOM 395 C GLU A 25 3.616 -18.288 -27.212 1.00 12.00 C ATOM 396 O GLU A 25 4.108 -17.776 -26.189 1.00 60.00 O ATOM 397 CB GLU A 25 5.315 -19.634 -28.450 1.00 72.00 C ATOM 398 CG GLU A 25 4.577 -20.958 -28.549 1.00 12.00 C ATOM 399 CD GLU A 25 5.518 -22.131 -28.456 1.00 1.00 C ATOM 400 OE1 GLU A 25 6.228 -22.422 -29.445 1.00 50.00 O ATOM 401 OE2 GLU A 25 5.595 -22.762 -27.382 1.00 12.00 O ATOM 0 H GLU A 25 5.520 -16.801 -27.679 1.00 53.00 H new ATOM 0 HA GLU A 25 3.767 -18.449 -29.346 1.00 43.00 H new ATOM 0 HB2 GLU A 25 6.032 -19.575 -29.269 1.00 72.00 H new ATOM 0 HB3 GLU A 25 5.889 -19.626 -27.523 1.00 72.00 H new ATOM 0 HG2 GLU A 25 3.836 -21.022 -27.752 1.00 12.00 H new ATOM 0 HG3 GLU A 25 4.034 -21.002 -29.493 1.00 12.00 H new ATOM 408 N VAL A 26 2.383 -18.720 -27.291 1.00 21.00 N ATOM 409 CA VAL A 26 1.453 -18.695 -26.167 1.00 54.00 C ATOM 410 C VAL A 26 0.658 -19.967 -26.091 1.00 20.00 C ATOM 411 O VAL A 26 0.323 -20.558 -27.110 1.00 75.00 O ATOM 412 CB VAL A 26 0.441 -17.513 -26.286 1.00 13.00 C ATOM 413 CG1 VAL A 26 1.151 -16.196 -26.267 1.00 21.00 C ATOM 414 CG2 VAL A 26 -0.429 -17.613 -27.526 1.00 34.00 C ATOM 0 H VAL A 26 1.982 -19.106 -28.145 1.00 21.00 H new ATOM 0 HA VAL A 26 2.062 -18.575 -25.271 1.00 54.00 H new ATOM 0 HB VAL A 26 -0.215 -17.581 -25.418 1.00 13.00 H new ATOM 0 HG11 VAL A 26 0.423 -15.389 -26.351 1.00 21.00 H new ATOM 0 HG12 VAL A 26 1.701 -16.093 -25.332 1.00 21.00 H new ATOM 0 HG13 VAL A 26 1.847 -16.146 -27.104 1.00 21.00 H new ATOM 0 HG21 VAL A 26 -1.114 -16.766 -27.559 1.00 34.00 H new ATOM 0 HG22 VAL A 26 0.202 -17.604 -28.415 1.00 34.00 H new ATOM 0 HG23 VAL A 26 -1.000 -18.541 -27.496 1.00 34.00 H new ATOM 424 N SER A 27 0.398 -20.412 -24.903 1.00 5.00 N ATOM 425 CA SER A 27 -0.560 -21.448 -24.729 1.00 5.00 C ATOM 426 C SER A 27 -1.780 -20.724 -24.263 1.00 60.00 C ATOM 427 O SER A 27 -1.732 -20.020 -23.256 1.00 63.00 O ATOM 428 CB SER A 27 -0.118 -22.474 -23.703 1.00 22.00 C ATOM 429 OG SER A 27 1.214 -22.899 -23.959 1.00 45.00 O ATOM 0 H SER A 27 0.835 -20.074 -24.045 1.00 5.00 H new ATOM 0 HA SER A 27 -0.717 -22.016 -25.646 1.00 5.00 H new ATOM 0 HB2 SER A 27 -0.183 -22.046 -22.703 1.00 22.00 H new ATOM 0 HB3 SER A 27 -0.790 -23.332 -23.727 1.00 22.00 H new ATOM 0 HG SER A 27 1.482 -23.559 -23.286 1.00 45.00 H new ATOM 435 N PHE A 28 -2.810 -20.808 -24.994 1.00 34.00 N ATOM 436 CA PHE A 28 -3.954 -20.051 -24.706 1.00 71.00 C ATOM 437 C PHE A 28 -5.158 -20.941 -24.626 1.00 25.00 C ATOM 438 O PHE A 28 -5.165 -22.057 -25.140 1.00 35.00 O ATOM 439 CB PHE A 28 -4.101 -18.905 -25.720 1.00 55.00 C ATOM 440 CG PHE A 28 -5.251 -17.995 -25.470 1.00 13.00 C ATOM 441 CD1 PHE A 28 -5.337 -17.307 -24.290 1.00 35.00 C ATOM 442 CD2 PHE A 28 -6.248 -17.844 -26.407 1.00 62.00 C ATOM 443 CE1 PHE A 28 -6.392 -16.491 -24.037 1.00 3.00 C ATOM 444 CE2 PHE A 28 -7.317 -17.019 -26.165 1.00 72.00 C ATOM 445 CZ PHE A 28 -7.394 -16.341 -24.977 1.00 41.00 C ATOM 0 H PHE A 28 -2.887 -21.407 -25.816 1.00 34.00 H new ATOM 0 HA PHE A 28 -3.855 -19.583 -23.727 1.00 71.00 H new ATOM 0 HB2 PHE A 28 -3.183 -18.317 -25.718 1.00 55.00 H new ATOM 0 HB3 PHE A 28 -4.204 -19.332 -26.718 1.00 55.00 H new ATOM 0 HD1 PHE A 28 -4.556 -17.415 -23.551 1.00 35.00 H new ATOM 0 HD2 PHE A 28 -6.188 -18.381 -27.342 1.00 62.00 H new ATOM 0 HE1 PHE A 28 -6.448 -15.958 -23.099 1.00 3.00 H new ATOM 0 HE2 PHE A 28 -8.094 -16.905 -26.907 1.00 72.00 H new ATOM 0 HZ PHE A 28 -8.234 -15.692 -24.776 1.00 41.00 H new ATOM 455 N VAL A 29 -6.132 -20.434 -24.002 1.00 52.00 N ATOM 456 CA VAL A 29 -7.299 -21.104 -23.658 1.00 22.00 C ATOM 457 C VAL A 29 -8.464 -20.684 -24.572 1.00 14.00 C ATOM 458 O VAL A 29 -8.912 -19.540 -24.575 1.00 53.00 O ATOM 459 CB VAL A 29 -7.578 -20.825 -22.157 1.00 14.00 C ATOM 460 CG1 VAL A 29 -7.736 -19.326 -21.858 1.00 61.00 C ATOM 461 CG2 VAL A 29 -8.721 -21.658 -21.627 1.00 4.00 C ATOM 0 H VAL A 29 -6.132 -19.461 -23.695 1.00 52.00 H new ATOM 0 HA VAL A 29 -7.188 -22.179 -23.802 1.00 22.00 H new ATOM 0 HB VAL A 29 -6.692 -21.143 -21.607 1.00 14.00 H new ATOM 0 HG11 VAL A 29 -7.930 -19.186 -20.795 1.00 61.00 H new ATOM 0 HG12 VAL A 29 -6.821 -18.802 -22.133 1.00 61.00 H new ATOM 0 HG13 VAL A 29 -8.570 -18.926 -22.435 1.00 61.00 H new ATOM 0 HG21 VAL A 29 -8.880 -21.429 -20.573 1.00 4.00 H new ATOM 0 HG22 VAL A 29 -9.627 -21.431 -22.188 1.00 4.00 H new ATOM 0 HG23 VAL A 29 -8.482 -22.716 -21.736 1.00 4.00 H new ATOM 471 N TYR A 30 -8.890 -21.612 -25.378 1.00 12.00 N ATOM 472 CA TYR A 30 -10.032 -21.413 -26.280 1.00 12.00 C ATOM 473 C TYR A 30 -11.305 -21.278 -25.473 1.00 64.00 C ATOM 474 O TYR A 30 -12.191 -20.462 -25.773 1.00 4.00 O ATOM 475 CB TYR A 30 -10.123 -22.578 -27.284 1.00 61.00 C ATOM 476 CG TYR A 30 -11.322 -22.517 -28.197 1.00 12.00 C ATOM 477 CD1 TYR A 30 -11.340 -21.681 -29.305 1.00 54.00 C ATOM 478 CD2 TYR A 30 -12.442 -23.292 -27.942 1.00 3.00 C ATOM 479 CE1 TYR A 30 -12.448 -21.614 -30.126 1.00 51.00 C ATOM 480 CE2 TYR A 30 -13.544 -23.235 -28.756 1.00 24.00 C ATOM 481 CZ TYR A 30 -13.546 -22.395 -29.845 1.00 23.00 C ATOM 482 OH TYR A 30 -14.661 -22.329 -30.647 1.00 4.00 O ATOM 0 H TYR A 30 -8.467 -22.538 -25.443 1.00 12.00 H new ATOM 0 HA TYR A 30 -9.891 -20.493 -26.848 1.00 12.00 H new ATOM 0 HB2 TYR A 30 -9.218 -22.590 -27.892 1.00 61.00 H new ATOM 0 HB3 TYR A 30 -10.149 -23.517 -26.732 1.00 61.00 H new ATOM 0 HD1 TYR A 30 -10.475 -21.074 -29.528 1.00 54.00 H new ATOM 0 HD2 TYR A 30 -12.447 -23.952 -27.087 1.00 3.00 H new ATOM 0 HE1 TYR A 30 -12.453 -20.955 -30.981 1.00 51.00 H new ATOM 0 HE2 TYR A 30 -14.407 -23.848 -28.543 1.00 24.00 H new ATOM 0 HH TYR A 30 -15.344 -22.945 -30.309 1.00 4.00 H new ATOM 492 N ASP A 31 -11.371 -22.069 -24.450 1.00 3.00 N ATOM 493 CA ASP A 31 -12.471 -22.067 -23.532 1.00 40.00 C ATOM 494 C ASP A 31 -12.068 -22.856 -22.330 1.00 63.00 C ATOM 495 O ASP A 31 -11.910 -22.312 -21.245 1.00 51.00 O ATOM 496 CB ASP A 31 -13.745 -22.633 -24.157 1.00 44.00 C ATOM 497 CG ASP A 31 -14.902 -22.592 -23.189 1.00 51.00 C ATOM 498 OD1 ASP A 31 -15.420 -21.491 -22.922 1.00 74.00 O ATOM 499 OD2 ASP A 31 -15.270 -23.642 -22.643 1.00 64.00 O ATOM 0 H ASP A 31 -10.647 -22.750 -24.222 1.00 3.00 H new ATOM 0 HA ASP A 31 -12.704 -21.039 -23.253 1.00 40.00 H new ATOM 0 HB2 ASP A 31 -13.997 -22.063 -25.051 1.00 44.00 H new ATOM 0 HB3 ASP A 31 -13.570 -23.661 -24.473 1.00 44.00 H new ATOM 504 N ASN A 32 -11.841 -24.126 -22.533 1.00 45.00 N ATOM 505 CA ASN A 32 -11.346 -24.989 -21.479 1.00 14.00 C ATOM 506 C ASN A 32 -10.471 -26.066 -22.119 1.00 53.00 C ATOM 507 O ASN A 32 -10.386 -27.204 -21.664 1.00 23.00 O ATOM 508 CB ASN A 32 -12.507 -25.599 -20.670 1.00 60.00 C ATOM 509 CG ASN A 32 -12.035 -26.284 -19.383 1.00 32.00 C ATOM 510 OD1 ASN A 32 -11.016 -25.894 -18.785 1.00 64.00 O ATOM 511 ND2 ASN A 32 -12.763 -27.283 -18.939 1.00 12.00 N ATOM 0 H ASN A 32 -11.991 -24.595 -23.426 1.00 45.00 H new ATOM 0 HA ASN A 32 -10.750 -24.413 -20.771 1.00 14.00 H new ATOM 0 HB2 ASN A 32 -13.221 -24.815 -20.418 1.00 60.00 H new ATOM 0 HB3 ASN A 32 -13.035 -26.324 -21.290 1.00 60.00 H new ATOM 0 HD21 ASN A 32 -12.499 -27.764 -18.079 1.00 12.00 H new ATOM 0 HD22 ASN A 32 -13.593 -27.578 -19.454 1.00 12.00 H new ATOM 518 N GLN A 33 -9.805 -25.667 -23.180 1.00 43.00 N ATOM 519 CA GLN A 33 -8.870 -26.481 -23.882 1.00 71.00 C ATOM 520 C GLN A 33 -7.779 -25.534 -24.250 1.00 72.00 C ATOM 521 O GLN A 33 -8.048 -24.320 -24.448 1.00 70.00 O ATOM 522 CB GLN A 33 -9.471 -27.164 -25.138 1.00 41.00 C ATOM 523 CG GLN A 33 -9.728 -26.233 -26.303 1.00 21.00 C ATOM 524 CD GLN A 33 -10.218 -26.941 -27.563 1.00 52.00 C ATOM 525 OE1 GLN A 33 -11.420 -27.084 -27.797 1.00 52.00 O ATOM 526 NE2 GLN A 33 -9.301 -27.411 -28.364 1.00 42.00 N ATOM 0 H GLN A 33 -9.911 -24.735 -23.581 1.00 43.00 H new ATOM 0 HA GLN A 33 -8.530 -27.315 -23.268 1.00 71.00 H new ATOM 0 HB2 GLN A 33 -8.794 -27.954 -25.464 1.00 41.00 H new ATOM 0 HB3 GLN A 33 -10.410 -27.643 -24.860 1.00 41.00 H new ATOM 0 HG2 GLN A 33 -10.467 -25.489 -26.005 1.00 21.00 H new ATOM 0 HG3 GLN A 33 -8.809 -25.694 -26.535 1.00 21.00 H new ATOM 0 HE21 GLN A 33 -8.314 -27.277 -28.144 1.00 42.00 H new ATOM 0 HE22 GLN A 33 -9.571 -27.912 -29.210 1.00 42.00 H new ATOM 535 N LEU A 34 -6.601 -26.012 -24.300 1.00 12.00 N ATOM 536 CA LEU A 34 -5.479 -25.167 -24.494 1.00 12.00 C ATOM 537 C LEU A 34 -4.850 -25.420 -25.850 1.00 74.00 C ATOM 538 O LEU A 34 -4.668 -26.572 -26.257 1.00 2.00 O ATOM 539 CB LEU A 34 -4.436 -25.345 -23.360 1.00 21.00 C ATOM 540 CG LEU A 34 -4.837 -24.931 -21.907 1.00 3.00 C ATOM 541 CD1 LEU A 34 -5.376 -23.526 -21.842 1.00 21.00 C ATOM 542 CD2 LEU A 34 -5.789 -25.929 -21.250 1.00 70.00 C ATOM 0 H LEU A 34 -6.378 -27.003 -24.208 1.00 12.00 H new ATOM 0 HA LEU A 34 -5.827 -24.135 -24.463 1.00 12.00 H new ATOM 0 HB2 LEU A 34 -4.147 -26.396 -23.338 1.00 21.00 H new ATOM 0 HB3 LEU A 34 -3.548 -24.776 -23.634 1.00 21.00 H new ATOM 0 HG LEU A 34 -3.915 -24.950 -21.326 1.00 3.00 H new ATOM 0 HD11 LEU A 34 -5.640 -23.285 -20.812 1.00 21.00 H new ATOM 0 HD12 LEU A 34 -4.616 -22.828 -22.194 1.00 21.00 H new ATOM 0 HD13 LEU A 34 -6.262 -23.447 -22.472 1.00 21.00 H new ATOM 0 HD21 LEU A 34 -6.033 -25.590 -20.243 1.00 70.00 H new ATOM 0 HD22 LEU A 34 -6.703 -26.003 -21.840 1.00 70.00 H new ATOM 0 HD23 LEU A 34 -5.311 -26.907 -21.198 1.00 70.00 H new ATOM 554 N LEU A 35 -4.587 -24.357 -26.554 1.00 42.00 N ATOM 555 CA LEU A 35 -3.934 -24.403 -27.854 1.00 21.00 C ATOM 556 C LEU A 35 -2.675 -23.587 -27.765 1.00 54.00 C ATOM 557 O LEU A 35 -2.605 -22.645 -26.974 1.00 74.00 O ATOM 558 CB LEU A 35 -4.812 -23.796 -28.984 1.00 64.00 C ATOM 559 CG LEU A 35 -6.060 -24.559 -29.471 1.00 74.00 C ATOM 560 CD1 LEU A 35 -7.107 -24.717 -28.393 1.00 14.00 C ATOM 561 CD2 LEU A 35 -6.654 -23.840 -30.641 1.00 2.00 C ATOM 0 H LEU A 35 -4.819 -23.413 -26.246 1.00 42.00 H new ATOM 0 HA LEU A 35 -3.744 -25.448 -28.098 1.00 21.00 H new ATOM 0 HB2 LEU A 35 -5.141 -22.812 -28.649 1.00 64.00 H new ATOM 0 HB3 LEU A 35 -4.168 -23.639 -29.849 1.00 64.00 H new ATOM 0 HG LEU A 35 -5.738 -25.561 -29.755 1.00 74.00 H new ATOM 0 HD11 LEU A 35 -7.962 -25.261 -28.793 1.00 14.00 H new ATOM 0 HD12 LEU A 35 -6.685 -25.270 -27.554 1.00 14.00 H new ATOM 0 HD13 LEU A 35 -7.430 -23.733 -28.053 1.00 14.00 H new ATOM 0 HD21 LEU A 35 -7.537 -24.377 -30.988 1.00 2.00 H new ATOM 0 HD22 LEU A 35 -6.937 -22.831 -30.342 1.00 2.00 H new ATOM 0 HD23 LEU A 35 -5.921 -23.788 -31.446 1.00 2.00 H new ATOM 573 N HIS A 36 -1.697 -23.913 -28.547 1.00 43.00 N ATOM 574 CA HIS A 36 -0.489 -23.135 -28.573 1.00 60.00 C ATOM 575 C HIS A 36 -0.372 -22.358 -29.864 1.00 40.00 C ATOM 576 O HIS A 36 -0.223 -22.917 -30.950 1.00 1.00 O ATOM 577 CB HIS A 36 0.778 -23.945 -28.212 1.00 73.00 C ATOM 578 CG HIS A 36 0.963 -25.242 -28.944 1.00 3.00 C ATOM 579 ND1 HIS A 36 0.636 -26.434 -28.350 1.00 53.00 N ATOM 580 CD2 HIS A 36 1.474 -25.484 -30.168 1.00 13.00 C ATOM 581 CE1 HIS A 36 0.956 -27.368 -29.220 1.00 32.00 C ATOM 582 NE2 HIS A 36 1.465 -26.843 -30.332 1.00 34.00 N ATOM 0 H HIS A 36 -1.706 -24.713 -29.179 1.00 43.00 H new ATOM 0 HA HIS A 36 -0.564 -22.401 -27.770 1.00 60.00 H new ATOM 0 HB2 HIS A 36 1.650 -23.319 -28.398 1.00 73.00 H new ATOM 0 HB3 HIS A 36 0.758 -24.154 -27.142 1.00 73.00 H new ATOM 0 HD2 HIS A 36 1.822 -24.750 -30.879 1.00 13.00 H new ATOM 0 HE1 HIS A 36 0.822 -28.427 -29.053 1.00 32.00 H new ATOM 0 HE2 HIS A 36 1.788 -27.357 -31.152 1.00 34.00 H new ATOM 590 N LEU A 37 -0.468 -21.071 -29.729 1.00 42.00 N ATOM 591 CA LEU A 37 -0.484 -20.170 -30.844 1.00 51.00 C ATOM 592 C LEU A 37 0.864 -19.593 -30.991 1.00 30.00 C ATOM 593 O LEU A 37 1.583 -19.401 -29.993 1.00 75.00 O ATOM 594 CB LEU A 37 -1.483 -19.008 -30.654 1.00 44.00 C ATOM 595 CG LEU A 37 -2.990 -19.352 -30.459 1.00 13.00 C ATOM 596 CD1 LEU A 37 -3.247 -20.062 -29.141 1.00 1.00 C ATOM 597 CD2 LEU A 37 -3.841 -18.107 -30.529 1.00 62.00 C ATOM 0 H LEU A 37 -0.539 -20.607 -28.824 1.00 42.00 H new ATOM 0 HA LEU A 37 -0.790 -20.736 -31.724 1.00 51.00 H new ATOM 0 HB2 LEU A 37 -1.160 -18.430 -29.788 1.00 44.00 H new ATOM 0 HB3 LEU A 37 -1.401 -18.354 -31.522 1.00 44.00 H new ATOM 0 HG LEU A 37 -3.263 -20.026 -31.271 1.00 13.00 H new ATOM 0 HD11 LEU A 37 -4.310 -20.282 -29.048 1.00 1.00 H new ATOM 0 HD12 LEU A 37 -2.680 -20.992 -29.112 1.00 1.00 H new ATOM 0 HD13 LEU A 37 -2.935 -19.422 -28.316 1.00 1.00 H new ATOM 0 HD21 LEU A 37 -4.889 -18.374 -30.390 1.00 62.00 H new ATOM 0 HD22 LEU A 37 -3.536 -17.413 -29.745 1.00 62.00 H new ATOM 0 HD23 LEU A 37 -3.713 -17.633 -31.502 1.00 62.00 H new ATOM 609 N LYS A 38 1.213 -19.279 -32.177 1.00 73.00 N ATOM 610 CA LYS A 38 2.484 -18.737 -32.413 1.00 25.00 C ATOM 611 C LYS A 38 2.333 -17.376 -32.978 1.00 13.00 C ATOM 612 O LYS A 38 1.334 -17.075 -33.630 1.00 1.00 O ATOM 613 CB LYS A 38 3.274 -19.593 -33.371 1.00 35.00 C ATOM 614 CG LYS A 38 2.728 -19.619 -34.787 1.00 41.00 C ATOM 615 CD LYS A 38 3.754 -20.140 -35.754 1.00 51.00 C ATOM 616 CE LYS A 38 3.229 -20.084 -37.177 1.00 64.00 C ATOM 617 NZ LYS A 38 4.221 -20.558 -38.160 1.00 72.00 N ATOM 0 H LYS A 38 0.628 -19.391 -33.005 1.00 73.00 H new ATOM 0 HA LYS A 38 3.025 -18.697 -31.467 1.00 25.00 H new ATOM 0 HB2 LYS A 38 4.302 -19.232 -33.398 1.00 35.00 H new ATOM 0 HB3 LYS A 38 3.304 -20.613 -32.988 1.00 35.00 H new ATOM 0 HG2 LYS A 38 1.837 -20.246 -34.825 1.00 41.00 H new ATOM 0 HG3 LYS A 38 2.424 -18.614 -35.081 1.00 41.00 H new ATOM 0 HD2 LYS A 38 4.667 -19.551 -35.675 1.00 51.00 H new ATOM 0 HD3 LYS A 38 4.014 -21.167 -35.497 1.00 51.00 H new ATOM 0 HE2 LYS A 38 2.327 -20.691 -37.253 1.00 64.00 H new ATOM 0 HE3 LYS A 38 2.945 -19.059 -37.417 1.00 64.00 H new ATOM 0 HZ1 LYS A 38 3.817 -20.501 -39.116 1.00 72.00 H new ATOM 0 HZ2 LYS A 38 5.073 -19.963 -38.108 1.00 72.00 H new ATOM 0 HZ3 LYS A 38 4.474 -21.545 -37.950 1.00 72.00 H new ATOM 631 N GLN A 39 3.283 -16.569 -32.720 1.00 44.00 N ATOM 632 CA GLN A 39 3.313 -15.255 -33.257 1.00 62.00 C ATOM 633 C GLN A 39 3.679 -15.317 -34.713 1.00 34.00 C ATOM 634 O GLN A 39 4.789 -15.679 -35.086 1.00 23.00 O ATOM 635 CB GLN A 39 4.250 -14.383 -32.470 1.00 11.00 C ATOM 636 CG GLN A 39 4.476 -13.006 -33.040 1.00 64.00 C ATOM 637 CD GLN A 39 5.456 -12.232 -32.215 1.00 32.00 C ATOM 638 OE1 GLN A 39 6.662 -12.284 -32.447 1.00 4.00 O ATOM 639 NE2 GLN A 39 4.961 -11.515 -31.244 1.00 22.00 N ATOM 0 H GLN A 39 4.077 -16.798 -32.122 1.00 44.00 H new ATOM 0 HA GLN A 39 2.324 -14.803 -33.179 1.00 62.00 H new ATOM 0 HB2 GLN A 39 3.861 -14.280 -31.457 1.00 11.00 H new ATOM 0 HB3 GLN A 39 5.212 -14.889 -32.392 1.00 11.00 H new ATOM 0 HG2 GLN A 39 4.843 -13.089 -34.063 1.00 64.00 H new ATOM 0 HG3 GLN A 39 3.529 -12.468 -33.084 1.00 64.00 H new ATOM 0 HE21 GLN A 39 3.954 -11.499 -31.084 1.00 22.00 H new ATOM 0 HE22 GLN A 39 5.581 -10.971 -30.644 1.00 22.00 H new ATOM 648 N GLY A 40 2.722 -15.029 -35.494 1.00 22.00 N ATOM 649 CA GLY A 40 2.826 -15.038 -36.910 1.00 51.00 C ATOM 650 C GLY A 40 1.633 -14.336 -37.455 1.00 11.00 C ATOM 651 O GLY A 40 0.684 -14.097 -36.702 1.00 65.00 O ATOM 0 H GLY A 40 1.795 -14.766 -35.159 1.00 22.00 H new ATOM 0 HA2 GLY A 40 3.742 -14.541 -37.229 1.00 51.00 H new ATOM 0 HA3 GLY A 40 2.872 -16.061 -37.284 1.00 51.00 H new ATOM 655 N ILE A 41 1.669 -13.959 -38.738 1.00 21.00 N ATOM 656 CA ILE A 41 0.565 -13.228 -39.387 1.00 34.00 C ATOM 657 C ILE A 41 0.512 -11.756 -38.843 1.00 73.00 C ATOM 658 O ILE A 41 -0.287 -10.899 -39.265 1.00 62.00 O ATOM 659 CB ILE A 41 -0.808 -14.023 -39.195 1.00 65.00 C ATOM 660 CG1 ILE A 41 -0.942 -15.261 -40.118 1.00 63.00 C ATOM 661 CG2 ILE A 41 -2.054 -13.169 -39.252 1.00 54.00 C ATOM 662 CD1 ILE A 41 -0.029 -16.427 -39.785 1.00 62.00 C ATOM 0 H ILE A 41 2.458 -14.149 -39.356 1.00 21.00 H new ATOM 0 HA ILE A 41 0.736 -13.162 -40.461 1.00 34.00 H new ATOM 0 HB ILE A 41 -0.738 -14.382 -38.168 1.00 65.00 H new ATOM 0 HG12 ILE A 41 -1.974 -15.609 -40.082 1.00 63.00 H new ATOM 0 HG13 ILE A 41 -0.746 -14.950 -41.144 1.00 63.00 H new ATOM 0 HG21 ILE A 41 -2.933 -13.798 -39.111 1.00 54.00 H new ATOM 0 HG22 ILE A 41 -2.016 -12.417 -38.464 1.00 54.00 H new ATOM 0 HG23 ILE A 41 -2.113 -12.675 -40.222 1.00 54.00 H new ATOM 0 HD11 ILE A 41 -0.204 -17.239 -40.491 1.00 62.00 H new ATOM 0 HD12 ILE A 41 1.010 -16.106 -39.852 1.00 62.00 H new ATOM 0 HD13 ILE A 41 -0.237 -16.775 -38.773 1.00 62.00 H new ATOM 674 N SER A 42 1.450 -11.468 -38.003 1.00 2.00 N ATOM 675 CA SER A 42 1.528 -10.257 -37.277 1.00 74.00 C ATOM 676 C SER A 42 2.045 -9.083 -38.113 1.00 74.00 C ATOM 677 O SER A 42 2.766 -9.274 -39.109 1.00 3.00 O ATOM 678 CB SER A 42 2.359 -10.531 -36.046 1.00 11.00 C ATOM 679 OG SER A 42 3.562 -11.203 -36.384 1.00 72.00 O ATOM 0 H SER A 42 2.218 -12.107 -37.799 1.00 2.00 H new ATOM 0 HA SER A 42 0.530 -9.932 -36.984 1.00 74.00 H new ATOM 0 HB2 SER A 42 2.592 -9.592 -35.543 1.00 11.00 H new ATOM 0 HB3 SER A 42 1.786 -11.135 -35.343 1.00 11.00 H new ATOM 0 HG SER A 42 4.084 -11.368 -35.571 1.00 72.00 H new ATOM 685 N ALA A 43 1.696 -7.885 -37.685 1.00 23.00 N ATOM 686 CA ALA A 43 1.991 -6.672 -38.376 1.00 0.00 C ATOM 687 C ALA A 43 1.785 -5.522 -37.414 1.00 5.00 C ATOM 688 O ALA A 43 2.686 -4.712 -37.179 1.00 10.00 O ATOM 689 CB ALA A 43 1.120 -6.518 -39.609 1.00 24.00 C ATOM 0 H ALA A 43 1.182 -7.739 -36.816 1.00 23.00 H new ATOM 0 HA ALA A 43 3.024 -6.685 -38.722 1.00 0.00 H new ATOM 0 HB1 ALA A 43 1.367 -5.585 -40.115 1.00 24.00 H new ATOM 0 HB2 ALA A 43 1.295 -7.355 -40.285 1.00 24.00 H new ATOM 0 HB3 ALA A 43 0.071 -6.504 -39.314 1.00 24.00 H new ATOM 695 N SER A 44 0.611 -5.469 -36.843 1.00 4.00 N ATOM 696 CA SER A 44 0.309 -4.510 -35.827 1.00 61.00 C ATOM 697 C SER A 44 0.090 -5.305 -34.548 1.00 22.00 C ATOM 698 O SER A 44 -0.390 -6.447 -34.619 1.00 73.00 O ATOM 699 CB SER A 44 -0.955 -3.718 -36.208 1.00 71.00 C ATOM 700 OG SER A 44 -1.148 -2.604 -35.348 1.00 15.00 O ATOM 0 H SER A 44 -0.162 -6.094 -37.074 1.00 4.00 H new ATOM 0 HA SER A 44 1.113 -3.785 -35.701 1.00 61.00 H new ATOM 0 HB2 SER A 44 -0.873 -3.374 -37.239 1.00 71.00 H new ATOM 0 HB3 SER A 44 -1.825 -4.373 -36.159 1.00 71.00 H new ATOM 0 HG SER A 44 -1.957 -2.120 -35.616 1.00 15.00 H new ATOM 706 N GLY A 45 0.430 -4.742 -33.405 1.00 40.00 N ATOM 707 CA GLY A 45 0.311 -5.465 -32.148 1.00 31.00 C ATOM 708 C GLY A 45 1.264 -6.648 -32.090 1.00 72.00 C ATOM 709 O GLY A 45 2.485 -6.491 -32.250 1.00 43.00 O ATOM 0 H GLY A 45 0.789 -3.791 -33.318 1.00 40.00 H new ATOM 0 HA2 GLY A 45 0.518 -4.789 -31.318 1.00 31.00 H new ATOM 0 HA3 GLY A 45 -0.714 -5.816 -32.025 1.00 31.00 H new ATOM 713 N ALA A 46 0.709 -7.816 -31.905 1.00 70.00 N ATOM 714 CA ALA A 46 1.405 -9.044 -31.837 1.00 1.00 C ATOM 715 C ALA A 46 0.359 -10.063 -32.096 1.00 61.00 C ATOM 716 O ALA A 46 -0.690 -10.035 -31.449 1.00 24.00 O ATOM 717 CB ALA A 46 2.021 -9.236 -30.458 1.00 44.00 C ATOM 0 H ALA A 46 -0.299 -7.927 -31.793 1.00 70.00 H new ATOM 0 HA ALA A 46 2.230 -9.102 -32.547 1.00 1.00 H new ATOM 0 HB1 ALA A 46 2.552 -10.187 -30.426 1.00 44.00 H new ATOM 0 HB2 ALA A 46 2.719 -8.424 -30.255 1.00 44.00 H new ATOM 0 HB3 ALA A 46 1.234 -9.235 -29.704 1.00 44.00 H new ATOM 723 N ARG A 47 0.556 -10.907 -33.054 1.00 74.00 N ATOM 724 CA ARG A 47 -0.491 -11.815 -33.376 1.00 70.00 C ATOM 725 C ARG A 47 -0.042 -13.233 -33.182 1.00 61.00 C ATOM 726 O ARG A 47 0.861 -13.689 -33.842 1.00 1.00 O ATOM 727 CB ARG A 47 -1.049 -11.600 -34.798 1.00 3.00 C ATOM 728 CG ARG A 47 -1.696 -10.242 -34.986 1.00 63.00 C ATOM 729 CD ARG A 47 -2.205 -10.003 -36.398 1.00 23.00 C ATOM 730 NE ARG A 47 -3.299 -10.903 -36.787 1.00 1.00 N ATOM 731 CZ ARG A 47 -4.125 -10.674 -37.827 1.00 54.00 C ATOM 732 NH1 ARG A 47 -4.026 -9.539 -38.517 1.00 33.00 N ATOM 733 NH2 ARG A 47 -5.052 -11.571 -38.164 1.00 73.00 N ATOM 0 H ARG A 47 1.406 -10.987 -33.612 1.00 74.00 H new ATOM 0 HA ARG A 47 -1.311 -11.611 -32.687 1.00 70.00 H new ATOM 0 HB2 ARG A 47 -0.240 -11.713 -35.520 1.00 3.00 H new ATOM 0 HB3 ARG A 47 -1.781 -12.378 -35.016 1.00 3.00 H new ATOM 0 HG2 ARG A 47 -2.527 -10.144 -34.287 1.00 63.00 H new ATOM 0 HG3 ARG A 47 -0.974 -9.466 -34.732 1.00 63.00 H new ATOM 0 HD2 ARG A 47 -2.546 -8.971 -36.483 1.00 23.00 H new ATOM 0 HD3 ARG A 47 -1.379 -10.124 -37.099 1.00 23.00 H new ATOM 0 HE ARG A 47 -3.442 -11.751 -36.238 1.00 1.00 H new ATOM 0 HH11 ARG A 47 -3.326 -8.844 -38.258 1.00 33.00 H new ATOM 0 HH12 ARG A 47 -4.651 -9.365 -39.304 1.00 33.00 H new ATOM 0 HH21 ARG A 47 -5.140 -12.438 -37.633 1.00 73.00 H new ATOM 0 HH22 ARG A 47 -5.674 -11.391 -38.952 1.00 73.00 H new ATOM 747 N TYR A 48 -0.629 -13.882 -32.243 1.00 63.00 N ATOM 748 CA TYR A 48 -0.399 -15.253 -31.978 1.00 34.00 C ATOM 749 C TYR A 48 -1.583 -15.972 -32.543 1.00 73.00 C ATOM 750 O TYR A 48 -2.702 -15.652 -32.223 1.00 34.00 O ATOM 751 CB TYR A 48 -0.274 -15.485 -30.468 1.00 45.00 C ATOM 752 CG TYR A 48 0.832 -14.673 -29.810 1.00 2.00 C ATOM 753 CD1 TYR A 48 0.607 -13.369 -29.374 1.00 51.00 C ATOM 754 CD2 TYR A 48 2.096 -15.206 -29.631 1.00 61.00 C ATOM 755 CE1 TYR A 48 1.609 -12.629 -28.784 1.00 11.00 C ATOM 756 CE2 TYR A 48 3.104 -14.467 -29.040 1.00 61.00 C ATOM 757 CZ TYR A 48 2.854 -13.183 -28.619 1.00 5.00 C ATOM 758 OH TYR A 48 3.857 -12.447 -28.039 1.00 63.00 O ATOM 0 H TYR A 48 -1.309 -13.455 -31.614 1.00 63.00 H new ATOM 0 HA TYR A 48 0.529 -15.611 -32.425 1.00 34.00 H new ATOM 0 HB2 TYR A 48 -1.224 -15.240 -29.993 1.00 45.00 H new ATOM 0 HB3 TYR A 48 -0.091 -16.544 -30.287 1.00 45.00 H new ATOM 0 HD1 TYR A 48 -0.371 -12.930 -29.501 1.00 51.00 H new ATOM 0 HD2 TYR A 48 2.299 -16.215 -29.958 1.00 61.00 H new ATOM 0 HE1 TYR A 48 1.416 -11.619 -28.453 1.00 11.00 H new ATOM 0 HE2 TYR A 48 4.086 -14.898 -28.909 1.00 61.00 H new ATOM 0 HH TYR A 48 4.705 -12.635 -28.493 1.00 63.00 H new ATOM 768 N THR A 49 -1.367 -16.852 -33.435 1.00 24.00 N ATOM 769 CA THR A 49 -2.450 -17.528 -34.077 1.00 65.00 C ATOM 770 C THR A 49 -2.074 -18.971 -34.323 1.00 12.00 C ATOM 771 O THR A 49 -0.897 -19.283 -34.529 1.00 63.00 O ATOM 772 CB THR A 49 -2.796 -16.803 -35.397 1.00 3.00 C ATOM 773 OG1 THR A 49 -3.145 -15.434 -35.109 1.00 43.00 O ATOM 774 CG2 THR A 49 -3.932 -17.473 -36.162 1.00 51.00 C ATOM 0 H THR A 49 -0.439 -17.135 -33.751 1.00 24.00 H new ATOM 0 HA THR A 49 -3.332 -17.514 -33.437 1.00 65.00 H new ATOM 0 HB THR A 49 -1.914 -16.850 -36.035 1.00 3.00 H new ATOM 0 HG1 THR A 49 -3.208 -14.929 -35.947 1.00 43.00 H new ATOM 0 HG21 THR A 49 -4.129 -16.919 -37.080 1.00 51.00 H new ATOM 0 HG22 THR A 49 -3.650 -18.496 -36.410 1.00 51.00 H new ATOM 0 HG23 THR A 49 -4.830 -17.484 -35.544 1.00 51.00 H new ATOM 782 N ASP A 50 -3.043 -19.857 -34.202 1.00 52.00 N ATOM 783 CA ASP A 50 -2.791 -21.253 -34.475 1.00 24.00 C ATOM 784 C ASP A 50 -3.660 -21.720 -35.649 1.00 43.00 C ATOM 785 O ASP A 50 -3.346 -22.688 -36.340 1.00 74.00 O ATOM 786 CB ASP A 50 -3.022 -22.097 -33.207 1.00 60.00 C ATOM 787 CG ASP A 50 -2.744 -23.579 -33.380 1.00 15.00 C ATOM 788 OD1 ASP A 50 -1.618 -23.958 -33.789 1.00 54.00 O ATOM 789 OD2 ASP A 50 -3.634 -24.385 -33.100 1.00 0.00 O ATOM 0 H ASP A 50 -3.998 -19.637 -33.920 1.00 52.00 H new ATOM 0 HA ASP A 50 -1.748 -21.386 -34.763 1.00 24.00 H new ATOM 0 HB2 ASP A 50 -2.388 -21.712 -32.409 1.00 60.00 H new ATOM 0 HB3 ASP A 50 -4.055 -21.969 -32.883 1.00 60.00 H new ATOM 794 N GLY A 51 -4.720 -20.976 -35.906 1.00 61.00 N ATOM 795 CA GLY A 51 -5.626 -21.311 -36.985 1.00 74.00 C ATOM 796 C GLY A 51 -7.036 -21.412 -36.486 1.00 12.00 C ATOM 797 O GLY A 51 -7.969 -20.938 -37.123 1.00 31.00 O ATOM 0 H GLY A 51 -4.973 -20.138 -35.383 1.00 61.00 H new ATOM 0 HA2 GLY A 51 -5.565 -20.552 -37.765 1.00 74.00 H new ATOM 0 HA3 GLY A 51 -5.327 -22.257 -37.436 1.00 74.00 H new ATOM 801 N ILE A 52 -7.176 -21.997 -35.311 1.00 3.00 N ATOM 802 CA ILE A 52 -8.475 -22.186 -34.661 1.00 75.00 C ATOM 803 C ILE A 52 -9.000 -20.835 -34.189 1.00 12.00 C ATOM 804 O ILE A 52 -10.186 -20.606 -34.109 1.00 11.00 O ATOM 805 CB ILE A 52 -8.384 -23.190 -33.449 1.00 11.00 C ATOM 806 CG1 ILE A 52 -8.042 -24.645 -33.898 1.00 4.00 C ATOM 807 CG2 ILE A 52 -9.683 -23.209 -32.629 1.00 51.00 C ATOM 808 CD1 ILE A 52 -6.646 -24.872 -34.456 1.00 2.00 C ATOM 0 H ILE A 52 -6.390 -22.360 -34.771 1.00 3.00 H new ATOM 0 HA ILE A 52 -9.162 -22.619 -35.388 1.00 75.00 H new ATOM 0 HB ILE A 52 -7.568 -22.823 -32.826 1.00 11.00 H new ATOM 0 HG12 ILE A 52 -8.180 -25.307 -33.043 1.00 4.00 H new ATOM 0 HG13 ILE A 52 -8.765 -24.947 -34.655 1.00 4.00 H new ATOM 0 HG21 ILE A 52 -9.581 -23.913 -31.803 1.00 51.00 H new ATOM 0 HG22 ILE A 52 -9.879 -22.212 -32.235 1.00 51.00 H new ATOM 0 HG23 ILE A 52 -10.512 -23.516 -33.267 1.00 51.00 H new ATOM 0 HD11 ILE A 52 -6.530 -25.920 -34.732 1.00 2.00 H new ATOM 0 HD12 ILE A 52 -6.500 -24.247 -35.337 1.00 2.00 H new ATOM 0 HD13 ILE A 52 -5.905 -24.612 -33.700 1.00 2.00 H new ATOM 820 N TYR A 53 -8.082 -19.962 -33.882 1.00 55.00 N ATOM 821 CA TYR A 53 -8.365 -18.610 -33.513 1.00 51.00 C ATOM 822 C TYR A 53 -7.151 -17.746 -33.692 1.00 12.00 C ATOM 823 O TYR A 53 -6.010 -18.262 -33.791 1.00 53.00 O ATOM 824 CB TYR A 53 -8.988 -18.419 -32.110 1.00 22.00 C ATOM 825 CG TYR A 53 -8.307 -19.095 -30.919 1.00 55.00 C ATOM 826 CD1 TYR A 53 -7.201 -19.925 -31.057 1.00 23.00 C ATOM 827 CD2 TYR A 53 -8.808 -18.905 -29.650 1.00 52.00 C ATOM 828 CE1 TYR A 53 -6.631 -20.531 -29.973 1.00 60.00 C ATOM 829 CE2 TYR A 53 -8.243 -19.516 -28.563 1.00 4.00 C ATOM 830 CZ TYR A 53 -7.156 -20.329 -28.728 1.00 1.00 C ATOM 831 OH TYR A 53 -6.599 -20.956 -27.643 1.00 61.00 O ATOM 0 H TYR A 53 -7.086 -20.182 -33.883 1.00 55.00 H new ATOM 0 HA TYR A 53 -9.149 -18.290 -34.200 1.00 51.00 H new ATOM 0 HB2 TYR A 53 -9.029 -17.349 -31.907 1.00 22.00 H new ATOM 0 HB3 TYR A 53 -10.017 -18.775 -32.151 1.00 22.00 H new ATOM 0 HD1 TYR A 53 -6.784 -20.094 -32.039 1.00 23.00 H new ATOM 0 HD2 TYR A 53 -9.664 -18.261 -29.510 1.00 52.00 H new ATOM 0 HE1 TYR A 53 -5.768 -21.168 -30.100 1.00 60.00 H new ATOM 0 HE2 TYR A 53 -8.655 -19.356 -27.577 1.00 4.00 H new ATOM 0 HH TYR A 53 -6.335 -20.286 -26.978 1.00 61.00 H new ATOM 841 N VAL A 54 -7.390 -16.476 -33.738 1.00 13.00 N ATOM 842 CA VAL A 54 -6.401 -15.457 -33.969 1.00 71.00 C ATOM 843 C VAL A 54 -6.314 -14.577 -32.726 1.00 60.00 C ATOM 844 O VAL A 54 -7.295 -13.948 -32.357 1.00 12.00 O ATOM 845 CB VAL A 54 -6.892 -14.591 -35.139 1.00 21.00 C ATOM 846 CG1 VAL A 54 -6.005 -13.367 -35.358 1.00 71.00 C ATOM 847 CG2 VAL A 54 -6.995 -15.404 -36.426 1.00 35.00 C ATOM 0 H VAL A 54 -8.327 -16.095 -33.610 1.00 13.00 H new ATOM 0 HA VAL A 54 -5.429 -15.899 -34.188 1.00 71.00 H new ATOM 0 HB VAL A 54 -7.888 -14.238 -34.870 1.00 21.00 H new ATOM 0 HG11 VAL A 54 -6.390 -12.784 -36.195 1.00 71.00 H new ATOM 0 HG12 VAL A 54 -6.004 -12.753 -34.458 1.00 71.00 H new ATOM 0 HG13 VAL A 54 -4.987 -13.690 -35.578 1.00 71.00 H new ATOM 0 HG21 VAL A 54 -7.345 -14.762 -37.235 1.00 35.00 H new ATOM 0 HG22 VAL A 54 -6.015 -15.807 -36.681 1.00 35.00 H new ATOM 0 HG23 VAL A 54 -7.699 -16.224 -36.283 1.00 35.00 H new ATOM 857 N PHE A 55 -5.176 -14.543 -32.088 1.00 24.00 N ATOM 858 CA PHE A 55 -5.007 -13.758 -30.872 1.00 43.00 C ATOM 859 C PHE A 55 -4.207 -12.499 -31.192 1.00 20.00 C ATOM 860 O PHE A 55 -3.028 -12.574 -31.559 1.00 22.00 O ATOM 861 CB PHE A 55 -4.296 -14.612 -29.796 1.00 62.00 C ATOM 862 CG PHE A 55 -4.142 -13.984 -28.433 1.00 34.00 C ATOM 863 CD1 PHE A 55 -3.034 -13.213 -28.121 1.00 53.00 C ATOM 864 CD2 PHE A 55 -5.097 -14.193 -27.456 1.00 50.00 C ATOM 865 CE1 PHE A 55 -2.888 -12.662 -26.864 1.00 61.00 C ATOM 866 CE2 PHE A 55 -4.957 -13.642 -26.201 1.00 22.00 C ATOM 867 CZ PHE A 55 -3.852 -12.875 -25.905 1.00 20.00 C ATOM 0 H PHE A 55 -4.341 -15.049 -32.383 1.00 24.00 H new ATOM 0 HA PHE A 55 -5.980 -13.460 -30.481 1.00 43.00 H new ATOM 0 HB2 PHE A 55 -4.848 -15.545 -29.682 1.00 62.00 H new ATOM 0 HB3 PHE A 55 -3.304 -14.871 -30.166 1.00 62.00 H new ATOM 0 HD1 PHE A 55 -2.275 -13.041 -28.870 1.00 53.00 H new ATOM 0 HD2 PHE A 55 -5.965 -14.796 -27.679 1.00 50.00 H new ATOM 0 HE1 PHE A 55 -2.018 -12.064 -26.633 1.00 61.00 H new ATOM 0 HE2 PHE A 55 -5.714 -13.812 -25.449 1.00 22.00 H new ATOM 0 HZ PHE A 55 -3.742 -12.441 -24.922 1.00 20.00 H new ATOM 877 N TRP A 56 -4.839 -11.365 -31.074 1.00 45.00 N ATOM 878 CA TRP A 56 -4.221 -10.122 -31.350 1.00 33.00 C ATOM 879 C TRP A 56 -4.005 -9.387 -30.065 1.00 3.00 C ATOM 880 O TRP A 56 -4.947 -8.981 -29.358 1.00 34.00 O ATOM 881 CB TRP A 56 -5.038 -9.301 -32.326 1.00 0.00 C ATOM 882 CG TRP A 56 -4.388 -8.014 -32.726 1.00 71.00 C ATOM 883 CD1 TRP A 56 -3.095 -7.845 -33.098 1.00 14.00 C ATOM 884 CD2 TRP A 56 -5.001 -6.726 -32.823 1.00 55.00 C ATOM 885 NE1 TRP A 56 -2.857 -6.552 -33.416 1.00 34.00 N ATOM 886 CE2 TRP A 56 -4.007 -5.831 -33.257 1.00 51.00 C ATOM 887 CE3 TRP A 56 -6.289 -6.240 -32.583 1.00 73.00 C ATOM 888 CZ2 TRP A 56 -4.258 -4.480 -33.462 1.00 73.00 C ATOM 889 CZ3 TRP A 56 -6.538 -4.896 -32.785 1.00 53.00 C ATOM 890 CH2 TRP A 56 -5.527 -4.030 -33.220 1.00 53.00 C ATOM 0 H TRP A 56 -5.812 -11.289 -30.778 1.00 45.00 H new ATOM 0 HA TRP A 56 -3.257 -10.302 -31.825 1.00 33.00 H new ATOM 0 HB2 TRP A 56 -5.224 -9.896 -33.220 1.00 0.00 H new ATOM 0 HB3 TRP A 56 -6.009 -9.084 -31.880 1.00 0.00 H new ATOM 0 HD1 TRP A 56 -2.358 -8.633 -33.135 1.00 14.00 H new ATOM 0 HE1 TRP A 56 -1.961 -6.175 -33.725 1.00 34.00 H new ATOM 0 HE3 TRP A 56 -7.074 -6.901 -32.247 1.00 73.00 H new ATOM 0 HZ2 TRP A 56 -3.481 -3.810 -33.800 1.00 73.00 H new ATOM 0 HZ3 TRP A 56 -7.529 -4.507 -32.604 1.00 53.00 H new ATOM 0 HH2 TRP A 56 -5.754 -2.984 -33.368 1.00 53.00 H new ATOM 901 N SER A 57 -2.797 -9.234 -29.783 1.00 25.00 N ATOM 902 CA SER A 57 -2.341 -8.645 -28.582 1.00 65.00 C ATOM 903 C SER A 57 -1.760 -7.297 -28.898 1.00 14.00 C ATOM 904 O SER A 57 -0.855 -7.195 -29.705 1.00 30.00 O ATOM 905 CB SER A 57 -1.253 -9.537 -27.981 1.00 42.00 C ATOM 906 OG SER A 57 -0.851 -9.082 -26.702 1.00 73.00 O ATOM 0 H SER A 57 -2.042 -9.525 -30.404 1.00 25.00 H new ATOM 0 HA SER A 57 -3.163 -8.537 -27.874 1.00 65.00 H new ATOM 0 HB2 SER A 57 -1.622 -10.560 -27.904 1.00 42.00 H new ATOM 0 HB3 SER A 57 -0.391 -9.559 -28.647 1.00 42.00 H new ATOM 0 HG SER A 57 -0.157 -9.676 -26.347 1.00 73.00 H new ATOM 912 N LYS A 58 -2.295 -6.267 -28.323 1.00 53.00 N ATOM 913 CA LYS A 58 -1.700 -4.961 -28.502 1.00 41.00 C ATOM 914 C LYS A 58 -0.711 -4.693 -27.390 1.00 2.00 C ATOM 915 O LYS A 58 0.232 -3.918 -27.545 1.00 1.00 O ATOM 916 CB LYS A 58 -2.761 -3.886 -28.571 1.00 10.00 C ATOM 917 CG LYS A 58 -3.611 -3.960 -29.832 1.00 64.00 C ATOM 918 CD LYS A 58 -4.770 -2.987 -29.789 1.00 24.00 C ATOM 919 CE LYS A 58 -4.315 -1.552 -29.610 1.00 70.00 C ATOM 920 NZ LYS A 58 -5.461 -0.635 -29.464 1.00 74.00 N ATOM 0 H LYS A 58 -3.127 -6.292 -27.734 1.00 53.00 H new ATOM 0 HA LYS A 58 -1.164 -4.944 -29.451 1.00 41.00 H new ATOM 0 HB2 LYS A 58 -3.409 -3.968 -27.699 1.00 10.00 H new ATOM 0 HB3 LYS A 58 -2.282 -2.908 -28.521 1.00 10.00 H new ATOM 0 HG2 LYS A 58 -2.990 -3.746 -30.702 1.00 64.00 H new ATOM 0 HG3 LYS A 58 -3.992 -4.974 -29.954 1.00 64.00 H new ATOM 0 HD2 LYS A 58 -5.345 -3.070 -30.711 1.00 24.00 H new ATOM 0 HD3 LYS A 58 -5.438 -3.258 -28.971 1.00 24.00 H new ATOM 0 HE2 LYS A 58 -3.675 -1.479 -28.730 1.00 70.00 H new ATOM 0 HE3 LYS A 58 -3.713 -1.250 -30.468 1.00 70.00 H new ATOM 0 HZ1 LYS A 58 -5.123 0.295 -29.143 1.00 74.00 H new ATOM 0 HZ2 LYS A 58 -5.942 -0.531 -30.380 1.00 74.00 H new ATOM 0 HZ3 LYS A 58 -6.128 -1.021 -28.765 1.00 74.00 H new ATOM 934 N GLY A 59 -0.898 -5.392 -26.300 1.00 4.00 N ATOM 935 CA GLY A 59 -0.057 -5.239 -25.157 1.00 31.00 C ATOM 936 C GLY A 59 -0.775 -5.698 -23.938 1.00 52.00 C ATOM 937 O GLY A 59 -0.604 -6.836 -23.496 1.00 32.00 O ATOM 0 H GLY A 59 -1.640 -6.082 -26.187 1.00 4.00 H new ATOM 0 HA2 GLY A 59 0.859 -5.814 -25.289 1.00 31.00 H new ATOM 0 HA3 GLY A 59 0.235 -4.195 -25.046 1.00 31.00 H new ATOM 941 N ASP A 60 -1.620 -4.843 -23.423 1.00 52.00 N ATOM 942 CA ASP A 60 -2.406 -5.159 -22.251 1.00 64.00 C ATOM 943 C ASP A 60 -3.866 -5.353 -22.622 1.00 34.00 C ATOM 944 O ASP A 60 -4.676 -5.718 -21.798 1.00 63.00 O ATOM 945 CB ASP A 60 -2.239 -4.107 -21.133 1.00 24.00 C ATOM 946 CG ASP A 60 -2.745 -2.727 -21.491 1.00 44.00 C ATOM 947 OD1 ASP A 60 -2.214 -2.116 -22.449 1.00 5.00 O ATOM 948 OD2 ASP A 60 -3.609 -2.195 -20.765 1.00 13.00 O ATOM 0 H ASP A 60 -1.785 -3.910 -23.800 1.00 52.00 H new ATOM 0 HA ASP A 60 -2.029 -6.099 -21.848 1.00 64.00 H new ATOM 0 HB2 ASP A 60 -2.765 -4.454 -20.243 1.00 24.00 H new ATOM 0 HB3 ASP A 60 -1.183 -4.037 -20.872 1.00 24.00 H new ATOM 953 N GLU A 61 -4.190 -5.128 -23.864 1.00 52.00 N ATOM 954 CA GLU A 61 -5.502 -5.408 -24.355 1.00 1.00 C ATOM 955 C GLU A 61 -5.361 -6.499 -25.369 1.00 24.00 C ATOM 956 O GLU A 61 -4.415 -6.483 -26.198 1.00 71.00 O ATOM 957 CB GLU A 61 -6.218 -4.157 -24.908 1.00 12.00 C ATOM 958 CG GLU A 61 -5.468 -3.416 -25.977 1.00 15.00 C ATOM 959 CD GLU A 61 -6.180 -2.161 -26.436 1.00 44.00 C ATOM 960 OE1 GLU A 61 -6.083 -1.123 -25.761 1.00 52.00 O ATOM 961 OE2 GLU A 61 -6.831 -2.176 -27.503 1.00 62.00 O ATOM 0 H GLU A 61 -3.550 -4.746 -24.561 1.00 52.00 H new ATOM 0 HA GLU A 61 -6.148 -5.734 -23.540 1.00 1.00 H new ATOM 0 HB2 GLU A 61 -7.186 -4.458 -25.307 1.00 12.00 H new ATOM 0 HB3 GLU A 61 -6.413 -3.473 -24.082 1.00 12.00 H new ATOM 0 HG2 GLU A 61 -4.480 -3.150 -25.602 1.00 15.00 H new ATOM 0 HG3 GLU A 61 -5.318 -4.075 -26.832 1.00 15.00 H new ATOM 968 N ALA A 62 -6.214 -7.466 -25.280 1.00 50.00 N ATOM 969 CA ALA A 62 -6.116 -8.607 -26.089 1.00 2.00 C ATOM 970 C ALA A 62 -7.445 -8.887 -26.715 1.00 71.00 C ATOM 971 O ALA A 62 -8.490 -8.838 -26.049 1.00 1.00 O ATOM 972 CB ALA A 62 -5.654 -9.796 -25.268 1.00 4.00 C ATOM 0 H ALA A 62 -7.002 -7.474 -24.633 1.00 50.00 H new ATOM 0 HA ALA A 62 -5.381 -8.430 -26.875 1.00 2.00 H new ATOM 0 HB1 ALA A 62 -5.582 -10.675 -25.909 1.00 4.00 H new ATOM 0 HB2 ALA A 62 -4.677 -9.582 -24.835 1.00 4.00 H new ATOM 0 HB3 ALA A 62 -6.370 -9.987 -24.469 1.00 4.00 H new ATOM 978 N THR A 63 -7.412 -9.125 -27.964 1.00 64.00 N ATOM 979 CA THR A 63 -8.580 -9.441 -28.727 1.00 4.00 C ATOM 980 C THR A 63 -8.302 -10.720 -29.514 1.00 23.00 C ATOM 981 O THR A 63 -7.358 -10.780 -30.287 1.00 11.00 O ATOM 982 CB THR A 63 -8.886 -8.287 -29.697 1.00 12.00 C ATOM 983 OG1 THR A 63 -8.772 -7.041 -28.982 1.00 52.00 O ATOM 984 CG2 THR A 63 -10.298 -8.404 -30.243 1.00 54.00 C ATOM 0 H THR A 63 -6.553 -9.109 -28.514 1.00 64.00 H new ATOM 0 HA THR A 63 -9.438 -9.584 -28.070 1.00 4.00 H new ATOM 0 HB THR A 63 -8.181 -8.327 -30.527 1.00 12.00 H new ATOM 0 HG1 THR A 63 -8.963 -6.296 -29.590 1.00 52.00 H new ATOM 0 HG21 THR A 63 -10.493 -7.578 -30.927 1.00 54.00 H new ATOM 0 HG22 THR A 63 -10.405 -9.349 -30.776 1.00 54.00 H new ATOM 0 HG23 THR A 63 -11.011 -8.369 -29.419 1.00 54.00 H new ATOM 992 N VAL A 64 -9.083 -11.735 -29.295 1.00 53.00 N ATOM 993 CA VAL A 64 -8.884 -12.984 -29.950 1.00 44.00 C ATOM 994 C VAL A 64 -10.148 -13.404 -30.699 1.00 70.00 C ATOM 995 O VAL A 64 -11.208 -13.709 -30.104 1.00 62.00 O ATOM 996 CB VAL A 64 -8.318 -14.058 -28.980 1.00 61.00 C ATOM 997 CG1 VAL A 64 -9.082 -14.100 -27.690 1.00 12.00 C ATOM 998 CG2 VAL A 64 -8.230 -15.428 -29.628 1.00 14.00 C ATOM 0 H VAL A 64 -9.877 -11.716 -28.655 1.00 53.00 H new ATOM 0 HA VAL A 64 -8.112 -12.870 -30.711 1.00 44.00 H new ATOM 0 HB VAL A 64 -7.298 -13.759 -28.741 1.00 61.00 H new ATOM 0 HG11 VAL A 64 -8.655 -14.863 -27.039 1.00 12.00 H new ATOM 0 HG12 VAL A 64 -9.021 -13.129 -27.199 1.00 12.00 H new ATOM 0 HG13 VAL A 64 -10.126 -14.338 -27.893 1.00 12.00 H new ATOM 0 HG21 VAL A 64 -7.829 -16.144 -28.911 1.00 14.00 H new ATOM 0 HG22 VAL A 64 -9.224 -15.747 -29.942 1.00 14.00 H new ATOM 0 HG23 VAL A 64 -7.574 -15.378 -30.497 1.00 14.00 H new ATOM 1008 N TYR A 65 -10.012 -13.394 -31.997 1.00 1.00 N ATOM 1009 CA TYR A 65 -11.091 -13.533 -32.935 1.00 12.00 C ATOM 1010 C TYR A 65 -10.719 -14.440 -34.097 1.00 31.00 C ATOM 1011 O TYR A 65 -9.830 -14.151 -34.865 1.00 75.00 O ATOM 1012 CB TYR A 65 -11.456 -12.104 -33.415 1.00 70.00 C ATOM 1013 CG TYR A 65 -12.238 -11.946 -34.722 1.00 61.00 C ATOM 1014 CD1 TYR A 65 -13.573 -12.290 -34.828 1.00 64.00 C ATOM 1015 CD2 TYR A 65 -11.617 -11.411 -35.845 1.00 11.00 C ATOM 1016 CE1 TYR A 65 -14.270 -12.116 -36.010 1.00 34.00 C ATOM 1017 CE2 TYR A 65 -12.305 -11.229 -37.024 1.00 3.00 C ATOM 1018 CZ TYR A 65 -13.629 -11.582 -37.102 1.00 74.00 C ATOM 1019 OH TYR A 65 -14.316 -11.401 -38.283 1.00 23.00 O ATOM 0 H TYR A 65 -9.104 -13.284 -32.449 1.00 1.00 H new ATOM 0 HA TYR A 65 -11.949 -14.009 -32.460 1.00 12.00 H new ATOM 0 HB2 TYR A 65 -12.034 -11.627 -32.624 1.00 70.00 H new ATOM 0 HB3 TYR A 65 -10.528 -11.541 -33.515 1.00 70.00 H new ATOM 0 HD1 TYR A 65 -14.082 -12.703 -33.970 1.00 64.00 H new ATOM 0 HD2 TYR A 65 -10.575 -11.133 -35.792 1.00 11.00 H new ATOM 0 HE1 TYR A 65 -15.311 -12.398 -36.074 1.00 34.00 H new ATOM 0 HE2 TYR A 65 -11.804 -10.810 -37.884 1.00 3.00 H new ATOM 0 HH TYR A 65 -14.448 -10.443 -38.441 1.00 23.00 H new ATOM 1029 N LYS A 66 -11.372 -15.561 -34.148 1.00 74.00 N ATOM 1030 CA LYS A 66 -11.366 -16.439 -35.241 1.00 35.00 C ATOM 1031 C LYS A 66 -12.398 -15.844 -36.150 1.00 24.00 C ATOM 1032 O LYS A 66 -13.297 -15.158 -35.687 1.00 64.00 O ATOM 1033 CB LYS A 66 -11.874 -17.810 -34.771 1.00 4.00 C ATOM 1034 CG LYS A 66 -11.979 -18.899 -35.829 1.00 3.00 C ATOM 1035 CD LYS A 66 -12.923 -19.984 -35.355 1.00 20.00 C ATOM 1036 CE LYS A 66 -12.928 -21.211 -36.258 1.00 60.00 C ATOM 1037 NZ LYS A 66 -13.967 -22.201 -35.849 1.00 65.00 N ATOM 0 H LYS A 66 -11.951 -15.891 -33.376 1.00 74.00 H new ATOM 0 HA LYS A 66 -10.385 -16.564 -35.700 1.00 35.00 H new ATOM 0 HB2 LYS A 66 -11.212 -18.166 -33.981 1.00 4.00 H new ATOM 0 HB3 LYS A 66 -12.859 -17.673 -34.324 1.00 4.00 H new ATOM 0 HG2 LYS A 66 -12.339 -18.475 -36.766 1.00 3.00 H new ATOM 0 HG3 LYS A 66 -10.994 -19.322 -36.028 1.00 3.00 H new ATOM 0 HD2 LYS A 66 -12.643 -20.285 -34.345 1.00 20.00 H new ATOM 0 HD3 LYS A 66 -13.933 -19.579 -35.298 1.00 20.00 H new ATOM 0 HE2 LYS A 66 -13.107 -20.902 -37.288 1.00 60.00 H new ATOM 0 HE3 LYS A 66 -11.946 -21.684 -36.233 1.00 60.00 H new ATOM 0 HZ1 LYS A 66 -13.731 -23.134 -36.242 1.00 65.00 H new ATOM 0 HZ2 LYS A 66 -14.000 -22.261 -34.811 1.00 65.00 H new ATOM 0 HZ3 LYS A 66 -14.895 -21.899 -36.208 1.00 65.00 H new ATOM 1051 N ARG A 67 -12.374 -16.203 -37.354 1.00 75.00 N ATOM 1052 CA ARG A 67 -13.271 -15.614 -38.367 1.00 2.00 C ATOM 1053 C ARG A 67 -14.658 -16.280 -38.279 1.00 60.00 C ATOM 1054 O ARG A 67 -15.565 -16.042 -39.067 1.00 60.00 O ATOM 1055 CB ARG A 67 -12.657 -15.778 -39.761 1.00 30.00 C ATOM 1056 CG ARG A 67 -13.359 -15.012 -40.863 1.00 30.00 C ATOM 1057 CD ARG A 67 -13.361 -13.516 -40.589 1.00 23.00 C ATOM 1058 NE ARG A 67 -13.900 -12.752 -41.728 1.00 61.00 N ATOM 1059 CZ ARG A 67 -13.812 -11.421 -41.884 1.00 71.00 C ATOM 1060 NH1 ARG A 67 -13.435 -10.654 -40.870 1.00 1.00 N ATOM 1061 NH2 ARG A 67 -14.177 -10.861 -43.039 1.00 61.00 N ATOM 0 H ARG A 67 -11.744 -16.917 -37.719 1.00 75.00 H new ATOM 0 HA ARG A 67 -13.394 -14.548 -38.178 1.00 2.00 H new ATOM 0 HB2 ARG A 67 -11.616 -15.458 -39.723 1.00 30.00 H new ATOM 0 HB3 ARG A 67 -12.656 -16.837 -40.019 1.00 30.00 H new ATOM 0 HG2 ARG A 67 -12.865 -15.208 -41.815 1.00 30.00 H new ATOM 0 HG3 ARG A 67 -14.385 -15.367 -40.957 1.00 30.00 H new ATOM 0 HD2 ARG A 67 -13.956 -13.310 -39.699 1.00 23.00 H new ATOM 0 HD3 ARG A 67 -12.345 -13.184 -40.377 1.00 23.00 H new ATOM 0 HE ARG A 67 -14.380 -13.278 -42.459 1.00 61.00 H new ATOM 0 HH11 ARG A 67 -13.211 -11.075 -39.968 1.00 1.00 H new ATOM 0 HH12 ARG A 67 -13.369 -9.643 -40.992 1.00 1.00 H new ATOM 0 HH21 ARG A 67 -14.522 -11.444 -43.802 1.00 61.00 H new ATOM 0 HH22 ARG A 67 -14.111 -9.850 -43.159 1.00 61.00 H new ATOM 1075 N ASP A 68 -14.775 -17.092 -37.292 1.00 0.00 N ATOM 1076 CA ASP A 68 -15.957 -17.838 -36.989 1.00 45.00 C ATOM 1077 C ASP A 68 -16.222 -17.821 -35.475 1.00 60.00 C ATOM 1078 O ASP A 68 -17.264 -18.268 -35.020 1.00 4.00 O ATOM 1079 CB ASP A 68 -15.781 -19.278 -37.530 1.00 54.00 C ATOM 1080 CG ASP A 68 -16.809 -20.285 -37.056 1.00 13.00 C ATOM 1081 OD1 ASP A 68 -17.939 -20.329 -37.611 1.00 74.00 O ATOM 1082 OD2 ASP A 68 -16.486 -21.085 -36.142 1.00 15.00 O ATOM 0 H ASP A 68 -14.014 -17.268 -36.636 1.00 0.00 H new ATOM 0 HA ASP A 68 -16.826 -17.388 -37.469 1.00 45.00 H new ATOM 0 HB2 ASP A 68 -15.808 -19.244 -38.619 1.00 54.00 H new ATOM 0 HB3 ASP A 68 -14.791 -19.635 -37.246 1.00 54.00 H new ATOM 1087 N ARG A 69 -15.310 -17.222 -34.690 1.00 11.00 N ATOM 1088 CA ARG A 69 -15.449 -17.281 -33.228 1.00 13.00 C ATOM 1089 C ARG A 69 -14.513 -16.322 -32.470 1.00 10.00 C ATOM 1090 O ARG A 69 -13.306 -16.516 -32.425 1.00 41.00 O ATOM 1091 CB ARG A 69 -15.179 -18.710 -32.716 1.00 14.00 C ATOM 1092 CG ARG A 69 -15.371 -18.900 -31.206 1.00 73.00 C ATOM 1093 CD ARG A 69 -16.827 -19.152 -30.797 1.00 40.00 C ATOM 1094 NE ARG A 69 -17.792 -18.158 -31.311 1.00 30.00 N ATOM 1095 CZ ARG A 69 -18.549 -17.358 -30.545 1.00 61.00 C ATOM 1096 NH1 ARG A 69 -18.297 -17.228 -29.246 1.00 41.00 N ATOM 1097 NH2 ARG A 69 -19.539 -16.671 -31.090 1.00 74.00 N ATOM 0 H ARG A 69 -14.496 -16.709 -35.029 1.00 11.00 H new ATOM 0 HA ARG A 69 -16.475 -16.973 -33.029 1.00 13.00 H new ATOM 0 HB2 ARG A 69 -15.839 -19.400 -33.241 1.00 14.00 H new ATOM 0 HB3 ARG A 69 -14.157 -18.987 -32.976 1.00 14.00 H new ATOM 0 HG2 ARG A 69 -14.759 -19.739 -30.874 1.00 73.00 H new ATOM 0 HG3 ARG A 69 -15.005 -18.013 -30.688 1.00 73.00 H new ATOM 0 HD2 ARG A 69 -17.123 -20.141 -31.147 1.00 40.00 H new ATOM 0 HD3 ARG A 69 -16.887 -19.168 -29.709 1.00 40.00 H new ATOM 0 HE ARG A 69 -17.890 -18.074 -32.323 1.00 30.00 H new ATOM 0 HH11 ARG A 69 -17.522 -17.739 -28.823 1.00 41.00 H new ATOM 0 HH12 ARG A 69 -18.879 -16.617 -28.672 1.00 41.00 H new ATOM 0 HH21 ARG A 69 -19.725 -16.750 -32.090 1.00 74.00 H new ATOM 0 HH22 ARG A 69 -20.117 -16.062 -30.511 1.00 74.00 H new ATOM 1111 N ILE A 70 -15.067 -15.297 -31.926 1.00 73.00 N ATOM 1112 CA ILE A 70 -14.385 -14.488 -30.943 1.00 61.00 C ATOM 1113 C ILE A 70 -14.492 -15.238 -29.672 1.00 70.00 C ATOM 1114 O ILE A 70 -15.572 -15.746 -29.323 1.00 61.00 O ATOM 1115 CB ILE A 70 -15.093 -13.146 -30.684 1.00 10.00 C ATOM 1116 CG1 ILE A 70 -15.197 -12.309 -31.928 1.00 60.00 C ATOM 1117 CG2 ILE A 70 -14.410 -12.372 -29.568 1.00 43.00 C ATOM 1118 CD1 ILE A 70 -16.016 -11.043 -31.769 1.00 4.00 C ATOM 0 H ILE A 70 -16.013 -14.983 -32.143 1.00 73.00 H new ATOM 0 HA ILE A 70 -13.372 -14.291 -31.293 1.00 61.00 H new ATOM 0 HB ILE A 70 -16.109 -13.381 -30.367 1.00 10.00 H new ATOM 0 HG12 ILE A 70 -14.193 -12.038 -32.253 1.00 60.00 H new ATOM 0 HG13 ILE A 70 -15.637 -12.913 -32.721 1.00 60.00 H new ATOM 0 HG21 ILE A 70 -14.932 -11.429 -29.407 1.00 43.00 H new ATOM 0 HG22 ILE A 70 -14.433 -12.960 -28.651 1.00 43.00 H new ATOM 0 HG23 ILE A 70 -13.375 -12.172 -29.845 1.00 43.00 H new ATOM 0 HD11 ILE A 70 -16.037 -10.502 -32.715 1.00 4.00 H new ATOM 0 HD12 ILE A 70 -17.034 -11.302 -31.476 1.00 4.00 H new ATOM 0 HD13 ILE A 70 -15.567 -10.413 -31.001 1.00 4.00 H new ATOM 1130 N VAL A 71 -13.445 -15.310 -28.984 1.00 12.00 N ATOM 1131 CA VAL A 71 -13.504 -15.955 -27.724 1.00 74.00 C ATOM 1132 C VAL A 71 -13.344 -14.915 -26.647 1.00 52.00 C ATOM 1133 O VAL A 71 -13.982 -14.976 -25.645 1.00 24.00 O ATOM 1134 CB VAL A 71 -12.540 -17.181 -27.568 1.00 64.00 C ATOM 1135 CG1 VAL A 71 -12.779 -18.186 -28.682 1.00 50.00 C ATOM 1136 CG2 VAL A 71 -11.091 -16.788 -27.539 1.00 32.00 C ATOM 0 H VAL A 71 -12.533 -14.939 -29.252 1.00 12.00 H new ATOM 0 HA VAL A 71 -14.484 -16.422 -27.628 1.00 74.00 H new ATOM 0 HB VAL A 71 -12.768 -17.634 -26.603 1.00 64.00 H new ATOM 0 HG11 VAL A 71 -12.102 -19.032 -28.560 1.00 50.00 H new ATOM 0 HG12 VAL A 71 -13.810 -18.537 -28.640 1.00 50.00 H new ATOM 0 HG13 VAL A 71 -12.596 -17.711 -29.646 1.00 50.00 H new ATOM 0 HG21 VAL A 71 -10.474 -17.680 -27.429 1.00 32.00 H new ATOM 0 HG22 VAL A 71 -10.833 -16.280 -28.468 1.00 32.00 H new ATOM 0 HG23 VAL A 71 -10.913 -16.118 -26.698 1.00 32.00 H new ATOM 1146 N LEU A 72 -12.593 -13.879 -26.950 1.00 44.00 N ATOM 1147 CA LEU A 72 -12.367 -12.794 -26.016 1.00 34.00 C ATOM 1148 C LEU A 72 -12.109 -11.573 -26.829 1.00 71.00 C ATOM 1149 O LEU A 72 -11.174 -11.547 -27.616 1.00 22.00 O ATOM 1150 CB LEU A 72 -11.155 -13.082 -25.107 1.00 21.00 C ATOM 1151 CG LEU A 72 -10.982 -12.206 -23.864 1.00 72.00 C ATOM 1152 CD1 LEU A 72 -10.315 -10.892 -24.195 1.00 1.00 C ATOM 1153 CD2 LEU A 72 -12.302 -11.961 -23.162 1.00 74.00 C ATOM 0 H LEU A 72 -12.122 -13.763 -27.848 1.00 44.00 H new ATOM 0 HA LEU A 72 -13.234 -12.669 -25.367 1.00 34.00 H new ATOM 0 HB2 LEU A 72 -11.218 -14.120 -24.781 1.00 21.00 H new ATOM 0 HB3 LEU A 72 -10.252 -12.992 -25.711 1.00 21.00 H new ATOM 0 HG LEU A 72 -10.332 -12.756 -23.184 1.00 72.00 H new ATOM 0 HD11 LEU A 72 -10.210 -10.298 -23.287 1.00 1.00 H new ATOM 0 HD12 LEU A 72 -9.330 -11.081 -24.621 1.00 1.00 H new ATOM 0 HD13 LEU A 72 -10.923 -10.347 -24.917 1.00 1.00 H new ATOM 0 HD21 LEU A 72 -12.137 -11.335 -22.285 1.00 74.00 H new ATOM 0 HD22 LEU A 72 -12.988 -11.458 -23.843 1.00 74.00 H new ATOM 0 HD23 LEU A 72 -12.732 -12.914 -22.852 1.00 74.00 H new ATOM 1165 N ASN A 73 -12.921 -10.580 -26.698 1.00 44.00 N ATOM 1166 CA ASN A 73 -12.685 -9.382 -27.497 1.00 51.00 C ATOM 1167 C ASN A 73 -12.534 -8.156 -26.675 1.00 44.00 C ATOM 1168 O ASN A 73 -12.461 -7.049 -27.215 1.00 60.00 O ATOM 1169 CB ASN A 73 -13.696 -9.158 -28.644 1.00 22.00 C ATOM 1170 CG ASN A 73 -15.138 -8.816 -28.236 1.00 11.00 C ATOM 1171 OD1 ASN A 73 -15.666 -9.389 -27.174 1.00 43.00 O flip ATOM 1172 ND2 ASN A 73 -15.802 -8.073 -28.939 1.00 11.00 N flip ATOM 0 H ASN A 73 -13.729 -10.551 -26.077 1.00 44.00 H new ATOM 0 HA ASN A 73 -11.728 -9.583 -27.978 1.00 51.00 H new ATOM 0 HB2 ASN A 73 -13.321 -8.353 -29.276 1.00 22.00 H new ATOM 0 HB3 ASN A 73 -13.720 -10.059 -29.257 1.00 22.00 H new ATOM 0 HD21 ASN A 73 -15.381 -7.635 -29.759 1.00 11.00 H new ATOM 0 HD22 ASN A 73 -16.778 -7.889 -28.707 1.00 11.00 H new ATOM 1179 N ASN A 74 -12.421 -8.340 -25.391 1.00 74.00 N ATOM 1180 CA ASN A 74 -12.286 -7.225 -24.491 1.00 51.00 C ATOM 1181 C ASN A 74 -11.967 -7.658 -23.081 1.00 34.00 C ATOM 1182 O ASN A 74 -12.848 -7.980 -22.291 1.00 62.00 O ATOM 1183 CB ASN A 74 -13.519 -6.286 -24.530 1.00 54.00 C ATOM 1184 CG ASN A 74 -13.389 -5.068 -23.633 1.00 1.00 C ATOM 1185 OD1 ASN A 74 -12.800 -4.055 -24.026 1.00 22.00 O ATOM 1186 ND2 ASN A 74 -13.988 -5.115 -22.478 1.00 2.00 N ATOM 0 H ASN A 74 -12.419 -9.255 -24.940 1.00 74.00 H new ATOM 0 HA ASN A 74 -11.432 -6.650 -24.849 1.00 51.00 H new ATOM 0 HB2 ASN A 74 -13.680 -5.955 -25.556 1.00 54.00 H new ATOM 0 HB3 ASN A 74 -14.404 -6.850 -24.235 1.00 54.00 H new ATOM 0 HD21 ASN A 74 -13.981 -4.299 -21.866 1.00 2.00 H new ATOM 0 HD22 ASN A 74 -14.465 -5.968 -22.185 1.00 2.00 H new ATOM 1193 N CYS A 75 -10.711 -7.790 -22.822 1.00 40.00 N ATOM 1194 CA CYS A 75 -10.211 -7.922 -21.478 1.00 41.00 C ATOM 1195 C CYS A 75 -8.926 -7.170 -21.472 1.00 34.00 C ATOM 1196 O CYS A 75 -8.278 -7.060 -22.536 1.00 1.00 O ATOM 1197 CB CYS A 75 -10.023 -9.371 -21.014 1.00 63.00 C ATOM 1198 SG CYS A 75 -9.506 -9.505 -19.257 1.00 71.00 S ATOM 0 H CYS A 75 -9.986 -7.811 -23.539 1.00 40.00 H new ATOM 0 HA CYS A 75 -10.936 -7.526 -20.767 1.00 41.00 H new ATOM 0 HB2 CYS A 75 -10.957 -9.915 -21.154 1.00 63.00 H new ATOM 0 HB3 CYS A 75 -9.276 -9.854 -21.644 1.00 63.00 H new ATOM 1203 N GLN A 76 -8.529 -6.663 -20.335 1.00 0.00 N ATOM 1204 CA GLN A 76 -7.480 -5.730 -20.266 1.00 41.00 C ATOM 1205 C GLN A 76 -6.690 -6.064 -19.069 1.00 75.00 C ATOM 1206 O GLN A 76 -7.189 -6.094 -17.952 1.00 61.00 O ATOM 1207 CB GLN A 76 -8.022 -4.299 -20.281 1.00 61.00 C ATOM 1208 CG GLN A 76 -8.742 -3.977 -21.597 1.00 4.00 C ATOM 1209 CD GLN A 76 -9.352 -2.598 -21.639 1.00 44.00 C ATOM 1210 OE1 GLN A 76 -8.722 -1.643 -22.067 1.00 12.00 O ATOM 1211 NE2 GLN A 76 -10.570 -2.480 -21.196 1.00 62.00 N ATOM 0 H GLN A 76 -8.941 -6.900 -19.432 1.00 0.00 H new ATOM 0 HA GLN A 76 -6.828 -5.781 -21.138 1.00 41.00 H new ATOM 0 HB2 GLN A 76 -8.710 -4.162 -19.447 1.00 61.00 H new ATOM 0 HB3 GLN A 76 -7.201 -3.598 -20.135 1.00 61.00 H new ATOM 0 HG2 GLN A 76 -8.035 -4.076 -22.420 1.00 4.00 H new ATOM 0 HG3 GLN A 76 -9.527 -4.716 -21.761 1.00 4.00 H new ATOM 0 HE21 GLN A 76 -11.067 -3.299 -20.846 1.00 62.00 H new ATOM 0 HE22 GLN A 76 -11.028 -1.569 -21.199 1.00 62.00 H new ATOM 1220 N LEU A 77 -5.502 -6.358 -19.345 1.00 34.00 N ATOM 1221 CA LEU A 77 -4.580 -6.984 -18.469 1.00 13.00 C ATOM 1222 C LEU A 77 -4.078 -6.083 -17.336 1.00 13.00 C ATOM 1223 O LEU A 77 -3.905 -4.870 -17.517 1.00 40.00 O ATOM 1224 CB LEU A 77 -3.435 -7.475 -19.348 1.00 11.00 C ATOM 1225 CG LEU A 77 -2.133 -7.957 -18.726 1.00 20.00 C ATOM 1226 CD1 LEU A 77 -2.354 -9.128 -17.823 1.00 11.00 C ATOM 1227 CD2 LEU A 77 -1.160 -8.277 -19.848 1.00 1.00 C ATOM 0 H LEU A 77 -5.097 -6.159 -20.260 1.00 34.00 H new ATOM 0 HA LEU A 77 -5.074 -7.801 -17.944 1.00 13.00 H new ATOM 0 HB2 LEU A 77 -3.824 -8.293 -19.954 1.00 11.00 H new ATOM 0 HB3 LEU A 77 -3.184 -6.664 -20.031 1.00 11.00 H new ATOM 0 HG LEU A 77 -1.712 -7.173 -18.097 1.00 20.00 H new ATOM 0 HD11 LEU A 77 -1.402 -9.444 -17.397 1.00 11.00 H new ATOM 0 HD12 LEU A 77 -3.034 -8.845 -17.020 1.00 11.00 H new ATOM 0 HD13 LEU A 77 -2.788 -9.950 -18.393 1.00 11.00 H new ATOM 0 HD21 LEU A 77 -0.218 -8.625 -19.424 1.00 1.00 H new ATOM 0 HD22 LEU A 77 -1.581 -9.055 -20.484 1.00 1.00 H new ATOM 0 HD23 LEU A 77 -0.982 -7.380 -20.442 1.00 1.00 H new ATOM 1239 N GLN A 78 -3.830 -6.695 -16.170 1.00 51.00 N ATOM 1240 CA GLN A 78 -3.251 -5.971 -15.055 1.00 63.00 C ATOM 1241 C GLN A 78 -1.743 -5.883 -15.224 1.00 42.00 C ATOM 1242 O GLN A 78 -1.184 -4.790 -15.381 1.00 40.00 O ATOM 1243 CB GLN A 78 -3.588 -6.649 -13.727 1.00 71.00 C ATOM 1244 CG GLN A 78 -5.066 -6.749 -13.474 1.00 20.00 C ATOM 1245 CD GLN A 78 -5.735 -5.398 -13.410 1.00 51.00 C ATOM 1246 OE1 GLN A 78 -5.144 -4.410 -12.976 1.00 21.00 O ATOM 1247 NE2 GLN A 78 -6.936 -5.331 -13.876 1.00 64.00 N ATOM 0 H GLN A 78 -4.023 -7.680 -15.985 1.00 51.00 H new ATOM 0 HA GLN A 78 -3.674 -4.966 -15.042 1.00 63.00 H new ATOM 0 HB2 GLN A 78 -3.155 -7.649 -13.717 1.00 71.00 H new ATOM 0 HB3 GLN A 78 -3.123 -6.092 -12.913 1.00 71.00 H new ATOM 0 HG2 GLN A 78 -5.527 -7.342 -14.264 1.00 20.00 H new ATOM 0 HG3 GLN A 78 -5.236 -7.279 -12.537 1.00 20.00 H new ATOM 0 HE21 GLN A 78 -7.394 -6.172 -14.228 1.00 64.00 H new ATOM 0 HE22 GLN A 78 -7.427 -4.437 -13.893 1.00 64.00 H new ATOM 1256 N ASN A 79 -1.090 -7.032 -15.227 1.00 42.00 N ATOM 1257 CA ASN A 79 0.355 -7.119 -15.335 1.00 63.00 C ATOM 1258 C ASN A 79 0.695 -8.580 -15.492 1.00 13.00 C ATOM 1259 O ASN A 79 0.473 -9.363 -14.576 1.00 75.00 O ATOM 1260 CB ASN A 79 1.009 -6.540 -14.071 1.00 71.00 C ATOM 1261 CG ASN A 79 2.516 -6.579 -14.087 1.00 32.00 C ATOM 1262 OD1 ASN A 79 3.116 -7.544 -13.662 1.00 51.00 O ATOM 1263 ND2 ASN A 79 3.133 -5.524 -14.557 1.00 41.00 N ATOM 0 H ASN A 79 -1.552 -7.938 -15.154 1.00 42.00 H new ATOM 0 HA ASN A 79 0.725 -6.548 -16.187 1.00 63.00 H new ATOM 0 HB2 ASN A 79 0.684 -5.507 -13.947 1.00 71.00 H new ATOM 0 HB3 ASN A 79 0.651 -7.093 -13.203 1.00 71.00 H new ATOM 0 HD21 ASN A 79 4.152 -5.495 -14.574 1.00 41.00 H new ATOM 0 HD22 ASN A 79 2.594 -4.731 -14.906 1.00 41.00 H new ATOM 1270 N PRO A 80 1.185 -8.994 -16.649 1.00 73.00 N ATOM 1271 CA PRO A 80 1.385 -10.405 -16.926 1.00 11.00 C ATOM 1272 C PRO A 80 2.561 -11.022 -16.159 1.00 71.00 C ATOM 1273 O PRO A 80 2.566 -12.227 -15.847 1.00 3.00 O ATOM 1274 CB PRO A 80 1.632 -10.446 -18.426 1.00 71.00 C ATOM 1275 CG PRO A 80 2.242 -9.126 -18.732 1.00 12.00 C ATOM 1276 CD PRO A 80 1.582 -8.150 -17.796 1.00 13.00 C ATOM 0 HA PRO A 80 0.526 -10.994 -16.605 1.00 11.00 H new ATOM 0 HB2 PRO A 80 2.298 -11.265 -18.698 1.00 71.00 H new ATOM 0 HB3 PRO A 80 0.704 -10.593 -18.978 1.00 71.00 H new ATOM 0 HG2 PRO A 80 3.321 -9.148 -18.579 1.00 12.00 H new ATOM 0 HG3 PRO A 80 2.073 -8.847 -19.772 1.00 12.00 H new ATOM 0 HD2 PRO A 80 2.266 -7.357 -17.494 1.00 13.00 H new ATOM 0 HD3 PRO A 80 0.720 -7.669 -18.259 1.00 13.00 H new ATOM 1284 N GLN A 81 3.527 -10.189 -15.814 1.00 63.00 N ATOM 1285 CA GLN A 81 4.717 -10.642 -15.164 1.00 23.00 C ATOM 1286 C GLN A 81 4.499 -10.855 -13.670 1.00 14.00 C ATOM 1287 O GLN A 81 4.734 -9.990 -12.824 1.00 21.00 O ATOM 1288 CB GLN A 81 5.918 -9.754 -15.487 1.00 73.00 C ATOM 1289 CG GLN A 81 5.703 -8.312 -15.143 1.00 72.00 C ATOM 1290 CD GLN A 81 6.827 -7.412 -15.603 1.00 60.00 C ATOM 1291 OE1 GLN A 81 6.799 -6.875 -16.717 1.00 25.00 O ATOM 1292 NE2 GLN A 81 7.818 -7.241 -14.779 1.00 34.00 N ATOM 0 H GLN A 81 3.497 -9.183 -15.982 1.00 63.00 H new ATOM 0 HA GLN A 81 4.962 -11.623 -15.570 1.00 23.00 H new ATOM 0 HB2 GLN A 81 6.789 -10.123 -14.945 1.00 73.00 H new ATOM 0 HB3 GLN A 81 6.145 -9.836 -16.550 1.00 73.00 H new ATOM 0 HG2 GLN A 81 4.769 -7.974 -15.593 1.00 72.00 H new ATOM 0 HG3 GLN A 81 5.590 -8.217 -14.063 1.00 72.00 H new ATOM 0 HE21 GLN A 81 7.808 -7.699 -13.868 1.00 34.00 H new ATOM 0 HE22 GLN A 81 8.605 -6.649 -15.044 1.00 34.00 H new ATOM 1301 N ARG A 82 3.918 -11.956 -13.402 1.00 5.00 N ATOM 1302 CA ARG A 82 3.668 -12.423 -12.063 1.00 25.00 C ATOM 1303 C ARG A 82 4.939 -13.004 -11.493 1.00 40.00 C ATOM 1304 O ARG A 82 5.290 -14.144 -11.840 1.00 61.00 O ATOM 1305 CB ARG A 82 2.541 -13.458 -12.053 1.00 71.00 C ATOM 1306 CG ARG A 82 1.187 -12.896 -12.462 1.00 71.00 C ATOM 1307 CD ARG A 82 0.102 -13.958 -12.424 1.00 71.00 C ATOM 1308 NE ARG A 82 0.041 -14.632 -11.116 1.00 44.00 N ATOM 1309 CZ ARG A 82 -0.901 -14.438 -10.175 1.00 52.00 C ATOM 1310 NH1 ARG A 82 -1.854 -13.503 -10.338 1.00 43.00 N ATOM 1311 NH2 ARG A 82 -0.872 -15.164 -9.060 1.00 52.00 N ATOM 1312 OXT ARG A 82 5.635 -12.310 -10.739 1.00 62.00 O ATOM 0 H ARG A 82 3.583 -12.595 -14.123 1.00 5.00 H new ATOM 0 HA ARG A 82 3.351 -11.585 -11.443 1.00 25.00 H new ATOM 0 HB2 ARG A 82 2.804 -14.274 -12.726 1.00 71.00 H new ATOM 0 HB3 ARG A 82 2.460 -13.884 -11.053 1.00 71.00 H new ATOM 0 HG2 ARG A 82 0.917 -12.076 -11.796 1.00 71.00 H new ATOM 0 HG3 ARG A 82 1.254 -12.481 -13.468 1.00 71.00 H new ATOM 0 HD2 ARG A 82 -0.863 -13.500 -12.642 1.00 71.00 H new ATOM 0 HD3 ARG A 82 0.288 -14.696 -13.205 1.00 71.00 H new ATOM 0 HE ARG A 82 0.778 -15.305 -10.905 1.00 44.00 H new ATOM 0 HH11 ARG A 82 -1.868 -12.931 -11.182 1.00 43.00 H new ATOM 0 HH12 ARG A 82 -2.562 -13.366 -9.617 1.00 43.00 H new ATOM 0 HH21 ARG A 82 -0.140 -15.861 -8.924 1.00 52.00 H new ATOM 0 HH22 ARG A 82 -1.582 -15.024 -8.341 1.00 52.00 H new TER 1326 ARG A 82