USER MOD reduce.3.24.130724 H: found=0, std=0, add=671, rem=0, adj=15 USER MOD reduce.3.24.130724 removed 671 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 71 GLN : amide:sc= -0.449 K(o=0.38,f=-1.8!) USER MOD Set 1.2: A 80 TYR OH : rot 62:sc= 0.83 USER MOD Set 2.1: A 4 THR OG1 : rot -154:sc= 0.00311 USER MOD Set 2.2: A 37 ASN : amide:sc= -2.88 K(o=-4,f=-10!) USER MOD Set 2.3: A 40 GLN : amide:sc= -1.15 K(o=-4,f=-7!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ -161:sc= -0.0113 (180deg=-0.376) USER MOD Single : A 7 GLN : amide:sc= -0.0736 X(o=-0.074,f=-0.074) USER MOD Single : A 8 TYR OH : rot -132:sc= 0.664 USER MOD Single : A 12 THR OG1 : rot 180:sc= -0.257 USER MOD Single : A 13 ASN : amide:sc= 0.46 K(o=0.46,f=-6.5!) USER MOD Single : A 17 SER OG : rot 180:sc= 0 USER MOD Single : A 18 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 30 SER OG : rot -94:sc= 1.25 USER MOD Single : A 44 HIS :FLIP no HD1:sc= -0.0189 F(o=-1.1,f=-0.019) USER MOD Single : A 45 SER OG : rot 23:sc= 1.19 USER MOD Single : A 47 LYS NZ :NH3+ -177:sc=-0.00572 (180deg=-0.0184) USER MOD Single : A 49 MET CE :methyl -175:sc= 0 (180deg=-0.0138) USER MOD Single : A 54 GLN : amide:sc= -0.0171 X(o=-0.017,f=-0.31) USER MOD Single : A 56 HIS : no HD1:sc= -0.0208 X(o=-0.021,f=0) USER MOD Single : A 59 TYR OH : rot 120:sc=-0.00785 USER MOD Single : A 60 GLN : amide:sc=-0.00987 X(o=-0.0099,f=0) USER MOD Single : A 66 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 GLN : amide:sc= -0.106 K(o=-0.11,f=-0.98) USER MOD Single : A 83 THR OG1 : rot -7:sc= 0.877 USER MOD Single : A 85 SER OG : rot -46:sc= 0.618 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -20.386 20.819 5.109 1.00 0.00 N ATOM 2 CA MET A 1 -21.187 21.914 5.707 1.00 0.00 C ATOM 3 C MET A 1 -22.412 21.415 6.503 1.00 0.00 C ATOM 4 O MET A 1 -23.420 20.982 5.941 1.00 0.00 O ATOM 5 CB MET A 1 -21.609 22.917 4.625 1.00 0.00 C ATOM 6 CG MET A 1 -20.404 23.651 4.027 1.00 0.00 C ATOM 7 SD MET A 1 -20.855 24.814 2.689 1.00 0.00 S ATOM 8 CE MET A 1 -19.230 25.346 2.193 1.00 0.00 C ATOM 0 H1 MET A 1 -19.436 21.172 4.875 1.00 0.00 H new ATOM 0 H2 MET A 1 -20.307 20.036 5.789 1.00 0.00 H new ATOM 0 H3 MET A 1 -20.853 20.480 4.243 1.00 0.00 H new ATOM 0 HA MET A 1 -20.542 22.412 6.431 1.00 0.00 H new ATOM 0 HB2 MET A 1 -22.145 22.393 3.833 1.00 0.00 H new ATOM 0 HB3 MET A 1 -22.301 23.643 5.052 1.00 0.00 H new ATOM 0 HG2 MET A 1 -19.892 24.199 4.818 1.00 0.00 H new ATOM 0 HG3 MET A 1 -19.697 22.918 3.639 1.00 0.00 H new ATOM 0 HE1 MET A 1 -19.315 26.065 1.378 1.00 0.00 H new ATOM 0 HE2 MET A 1 -18.727 25.814 3.039 1.00 0.00 H new ATOM 0 HE3 MET A 1 -18.652 24.485 1.858 1.00 0.00 H new ATOM 20 N GLY A 2 -22.205 21.321 7.823 1.00 0.00 N ATOM 21 CA GLY A 2 -23.214 20.773 8.750 1.00 0.00 C ATOM 22 C GLY A 2 -22.998 19.263 8.920 1.00 0.00 C ATOM 23 O GLY A 2 -22.190 18.844 9.748 1.00 0.00 O ATOM 0 H GLY A 2 -21.343 21.619 8.279 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -23.142 21.271 9.717 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -24.216 20.965 8.367 1.00 0.00 H new ATOM 27 N VAL A 3 -23.545 18.514 7.968 1.00 0.00 N ATOM 28 CA VAL A 3 -23.514 17.039 7.995 1.00 0.00 C ATOM 29 C VAL A 3 -22.815 16.435 6.755 1.00 0.00 C ATOM 30 O VAL A 3 -22.768 17.049 5.690 1.00 0.00 O ATOM 31 CB VAL A 3 -24.954 16.529 8.235 1.00 0.00 C ATOM 32 CG1 VAL A 3 -25.886 16.652 7.024 1.00 0.00 C ATOM 33 CG2 VAL A 3 -24.965 15.122 8.837 1.00 0.00 C ATOM 0 H VAL A 3 -24.023 18.902 7.155 1.00 0.00 H new ATOM 0 HA VAL A 3 -22.893 16.692 8.821 1.00 0.00 H new ATOM 0 HB VAL A 3 -25.377 17.210 8.973 1.00 0.00 H new ATOM 0 HG11 VAL A 3 -26.873 16.271 7.284 1.00 0.00 H new ATOM 0 HG12 VAL A 3 -25.967 17.699 6.732 1.00 0.00 H new ATOM 0 HG13 VAL A 3 -25.481 16.074 6.193 1.00 0.00 H new ATOM 0 HG21 VAL A 3 -25.995 14.800 8.990 1.00 0.00 H new ATOM 0 HG22 VAL A 3 -24.466 14.431 8.157 1.00 0.00 H new ATOM 0 HG23 VAL A 3 -24.442 15.131 9.793 1.00 0.00 H new ATOM 43 N THR A 4 -22.110 15.339 7.015 1.00 0.00 N ATOM 44 CA THR A 4 -21.423 14.499 5.996 1.00 0.00 C ATOM 45 C THR A 4 -21.868 13.026 6.090 1.00 0.00 C ATOM 46 O THR A 4 -22.274 12.417 5.103 1.00 0.00 O ATOM 47 CB THR A 4 -19.882 14.684 5.997 1.00 0.00 C ATOM 48 OG1 THR A 4 -19.238 13.720 5.155 1.00 0.00 O ATOM 49 CG2 THR A 4 -19.228 14.691 7.384 1.00 0.00 C ATOM 0 H THR A 4 -21.987 14.986 7.964 1.00 0.00 H new ATOM 0 HA THR A 4 -21.742 14.856 5.017 1.00 0.00 H new ATOM 0 HB THR A 4 -19.733 15.686 5.595 1.00 0.00 H new ATOM 0 HG1 THR A 4 -18.322 13.570 5.470 1.00 0.00 H new ATOM 0 HG21 THR A 4 -18.152 14.826 7.278 1.00 0.00 H new ATOM 0 HG22 THR A 4 -19.639 15.508 7.976 1.00 0.00 H new ATOM 0 HG23 THR A 4 -19.427 13.744 7.885 1.00 0.00 H new ATOM 57 N GLU A 5 -21.706 12.460 7.286 1.00 0.00 N ATOM 58 CA GLU A 5 -22.338 11.190 7.710 1.00 0.00 C ATOM 59 C GLU A 5 -23.881 11.218 7.606 1.00 0.00 C ATOM 60 O GLU A 5 -24.462 12.296 7.515 1.00 0.00 O ATOM 61 CB GLU A 5 -21.892 10.848 9.143 1.00 0.00 C ATOM 62 CG GLU A 5 -22.378 11.794 10.256 1.00 0.00 C ATOM 63 CD GLU A 5 -21.671 13.154 10.289 1.00 0.00 C ATOM 64 OE1 GLU A 5 -20.486 13.210 9.885 1.00 0.00 O ATOM 65 OE2 GLU A 5 -22.356 14.143 10.615 1.00 0.00 O ATOM 0 H GLU A 5 -21.120 12.874 8.011 1.00 0.00 H new ATOM 0 HA GLU A 5 -22.004 10.412 7.023 1.00 0.00 H new ATOM 0 HB2 GLU A 5 -22.236 9.841 9.377 1.00 0.00 H new ATOM 0 HB3 GLU A 5 -20.802 10.826 9.165 1.00 0.00 H new ATOM 0 HG2 GLU A 5 -23.449 11.958 10.134 1.00 0.00 H new ATOM 0 HG3 GLU A 5 -22.239 11.303 11.219 1.00 0.00 H new ATOM 72 N ALA A 6 -24.501 10.064 7.871 1.00 0.00 N ATOM 73 CA ALA A 6 -25.954 9.803 7.739 1.00 0.00 C ATOM 74 C ALA A 6 -26.475 10.015 6.307 1.00 0.00 C ATOM 75 O ALA A 6 -26.705 11.127 5.838 1.00 0.00 O ATOM 76 CB ALA A 6 -26.785 10.575 8.776 1.00 0.00 C ATOM 0 H ALA A 6 -23.989 9.245 8.198 1.00 0.00 H new ATOM 0 HA ALA A 6 -26.085 8.743 7.956 1.00 0.00 H new ATOM 0 HB1 ALA A 6 -27.842 10.349 8.636 1.00 0.00 H new ATOM 0 HB2 ALA A 6 -26.480 10.279 9.780 1.00 0.00 H new ATOM 0 HB3 ALA A 6 -26.623 11.645 8.648 1.00 0.00 H new ATOM 82 N GLN A 7 -26.660 8.871 5.650 1.00 0.00 N ATOM 83 CA GLN A 7 -26.944 8.755 4.201 1.00 0.00 C ATOM 84 C GLN A 7 -27.316 7.277 3.920 1.00 0.00 C ATOM 85 O GLN A 7 -28.108 6.708 4.668 1.00 0.00 O ATOM 86 CB GLN A 7 -25.706 9.269 3.433 1.00 0.00 C ATOM 87 CG GLN A 7 -25.911 9.511 1.931 1.00 0.00 C ATOM 88 CD GLN A 7 -26.867 10.669 1.634 1.00 0.00 C ATOM 89 OE1 GLN A 7 -28.058 10.497 1.429 1.00 0.00 O ATOM 90 NE2 GLN A 7 -26.334 11.868 1.551 1.00 0.00 N ATOM 0 H GLN A 7 -26.617 7.965 6.117 1.00 0.00 H new ATOM 0 HA GLN A 7 -27.786 9.361 3.866 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -25.378 10.202 3.892 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -24.897 8.549 3.560 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -24.946 9.716 1.467 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -26.298 8.601 1.472 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -25.337 11.996 1.725 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -26.917 12.670 1.313 1.00 0.00 H new ATOM 99 N TYR A 8 -26.536 6.600 3.076 1.00 0.00 N ATOM 100 CA TYR A 8 -26.709 5.193 2.657 1.00 0.00 C ATOM 101 C TYR A 8 -26.891 4.150 3.782 1.00 0.00 C ATOM 102 O TYR A 8 -27.684 3.229 3.620 1.00 0.00 O ATOM 103 CB TYR A 8 -25.501 4.871 1.757 1.00 0.00 C ATOM 104 CG TYR A 8 -25.236 3.379 1.525 1.00 0.00 C ATOM 105 CD1 TYR A 8 -25.861 2.700 0.488 1.00 0.00 C ATOM 106 CD2 TYR A 8 -24.486 2.681 2.463 1.00 0.00 C ATOM 107 CE1 TYR A 8 -25.748 1.319 0.397 1.00 0.00 C ATOM 108 CE2 TYR A 8 -24.396 1.300 2.392 1.00 0.00 C ATOM 109 CZ TYR A 8 -25.027 0.621 1.357 1.00 0.00 C ATOM 110 OH TYR A 8 -24.902 -0.723 1.260 1.00 0.00 O ATOM 0 H TYR A 8 -25.722 7.033 2.639 1.00 0.00 H new ATOM 0 HA TYR A 8 -27.663 5.111 2.136 1.00 0.00 H new ATOM 0 HB2 TYR A 8 -25.651 5.351 0.790 1.00 0.00 H new ATOM 0 HB3 TYR A 8 -24.610 5.317 2.199 1.00 0.00 H new ATOM 0 HD1 TYR A 8 -26.434 3.245 -0.247 1.00 0.00 H new ATOM 0 HD2 TYR A 8 -23.972 3.215 3.249 1.00 0.00 H new ATOM 0 HE1 TYR A 8 -26.219 0.789 -0.418 1.00 0.00 H new ATOM 0 HE2 TYR A 8 -23.838 0.754 3.138 1.00 0.00 H new ATOM 0 HH TYR A 8 -25.108 -1.134 2.126 1.00 0.00 H new ATOM 120 N VAL A 9 -26.057 4.259 4.820 1.00 0.00 N ATOM 121 CA VAL A 9 -25.844 3.324 5.956 1.00 0.00 C ATOM 122 C VAL A 9 -26.610 1.970 6.028 1.00 0.00 C ATOM 123 O VAL A 9 -27.216 1.611 7.034 1.00 0.00 O ATOM 124 CB VAL A 9 -25.860 4.169 7.253 1.00 0.00 C ATOM 125 CG1 VAL A 9 -27.247 4.711 7.628 1.00 0.00 C ATOM 126 CG2 VAL A 9 -25.154 3.479 8.426 1.00 0.00 C ATOM 0 H VAL A 9 -25.452 5.076 4.905 1.00 0.00 H new ATOM 0 HA VAL A 9 -24.872 2.864 5.775 1.00 0.00 H new ATOM 0 HB VAL A 9 -25.266 5.052 7.017 1.00 0.00 H new ATOM 0 HG11 VAL A 9 -27.174 5.292 8.547 1.00 0.00 H new ATOM 0 HG12 VAL A 9 -27.618 5.348 6.825 1.00 0.00 H new ATOM 0 HG13 VAL A 9 -27.935 3.879 7.778 1.00 0.00 H new ATOM 0 HG21 VAL A 9 -25.199 4.121 9.306 1.00 0.00 H new ATOM 0 HG22 VAL A 9 -25.648 2.532 8.642 1.00 0.00 H new ATOM 0 HG23 VAL A 9 -24.112 3.293 8.165 1.00 0.00 H new ATOM 136 N ALA A 10 -26.447 1.167 4.978 1.00 0.00 N ATOM 137 CA ALA A 10 -26.964 -0.218 4.942 1.00 0.00 C ATOM 138 C ALA A 10 -25.817 -1.250 4.898 1.00 0.00 C ATOM 139 O ALA A 10 -25.097 -1.296 3.899 1.00 0.00 O ATOM 140 CB ALA A 10 -27.900 -0.385 3.741 1.00 0.00 C ATOM 0 H ALA A 10 -25.957 1.447 4.128 1.00 0.00 H new ATOM 0 HA ALA A 10 -27.524 -0.403 5.859 1.00 0.00 H new ATOM 0 HB1 ALA A 10 -28.280 -1.406 3.715 1.00 0.00 H new ATOM 0 HB2 ALA A 10 -28.734 0.311 3.830 1.00 0.00 H new ATOM 0 HB3 ALA A 10 -27.352 -0.179 2.821 1.00 0.00 H new ATOM 146 N PRO A 11 -25.506 -1.902 6.032 1.00 0.00 N ATOM 147 CA PRO A 11 -24.461 -2.947 6.105 1.00 0.00 C ATOM 148 C PRO A 11 -24.926 -4.292 5.508 1.00 0.00 C ATOM 149 O PRO A 11 -25.799 -4.315 4.641 1.00 0.00 O ATOM 150 CB PRO A 11 -24.116 -3.007 7.595 1.00 0.00 C ATOM 151 CG PRO A 11 -25.443 -2.690 8.279 1.00 0.00 C ATOM 152 CD PRO A 11 -26.053 -1.618 7.374 1.00 0.00 C ATOM 0 HA PRO A 11 -23.583 -2.717 5.502 1.00 0.00 H new ATOM 0 HB2 PRO A 11 -23.741 -3.990 7.881 1.00 0.00 H new ATOM 0 HB3 PRO A 11 -23.345 -2.283 7.858 1.00 0.00 H new ATOM 0 HG2 PRO A 11 -26.082 -3.571 8.347 1.00 0.00 H new ATOM 0 HG3 PRO A 11 -25.295 -2.324 9.295 1.00 0.00 H new ATOM 0 HD2 PRO A 11 -27.142 -1.671 7.377 1.00 0.00 H new ATOM 0 HD3 PRO A 11 -25.781 -0.617 7.708 1.00 0.00 H new ATOM 160 N THR A 12 -24.280 -5.389 5.914 1.00 0.00 N ATOM 161 CA THR A 12 -24.612 -6.761 5.451 1.00 0.00 C ATOM 162 C THR A 12 -24.065 -7.786 6.471 1.00 0.00 C ATOM 163 O THR A 12 -24.582 -7.872 7.583 1.00 0.00 O ATOM 164 CB THR A 12 -24.087 -7.066 4.028 1.00 0.00 C ATOM 165 OG1 THR A 12 -24.174 -5.929 3.170 1.00 0.00 O ATOM 166 CG2 THR A 12 -24.861 -8.228 3.396 1.00 0.00 C ATOM 0 H THR A 12 -23.506 -5.362 6.577 1.00 0.00 H new ATOM 0 HA THR A 12 -25.698 -6.836 5.390 1.00 0.00 H new ATOM 0 HB THR A 12 -23.037 -7.339 4.137 1.00 0.00 H new ATOM 0 HG1 THR A 12 -23.832 -6.162 2.282 1.00 0.00 H new ATOM 0 HG21 THR A 12 -24.473 -8.423 2.396 1.00 0.00 H new ATOM 0 HG22 THR A 12 -24.744 -9.120 4.011 1.00 0.00 H new ATOM 0 HG23 THR A 12 -25.918 -7.969 3.331 1.00 0.00 H new ATOM 174 N ASN A 13 -22.918 -8.394 6.169 1.00 0.00 N ATOM 175 CA ASN A 13 -22.237 -9.392 7.025 1.00 0.00 C ATOM 176 C ASN A 13 -21.506 -8.758 8.222 1.00 0.00 C ATOM 177 O ASN A 13 -21.206 -7.563 8.214 1.00 0.00 O ATOM 178 CB ASN A 13 -21.254 -10.221 6.186 1.00 0.00 C ATOM 179 CG ASN A 13 -20.299 -9.339 5.378 1.00 0.00 C ATOM 180 OD1 ASN A 13 -19.432 -8.653 5.904 1.00 0.00 O ATOM 181 ND2 ASN A 13 -20.588 -9.224 4.103 1.00 0.00 N ATOM 0 H ASN A 13 -22.415 -8.208 5.301 1.00 0.00 H new ATOM 0 HA ASN A 13 -23.013 -10.038 7.436 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -20.677 -10.872 6.843 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -21.812 -10.866 5.508 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -20.085 -8.550 3.525 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.315 -9.808 3.690 1.00 0.00 H new ATOM 188 N ALA A 14 -21.105 -9.626 9.153 1.00 0.00 N ATOM 189 CA ALA A 14 -20.326 -9.263 10.358 1.00 0.00 C ATOM 190 C ALA A 14 -19.120 -8.349 10.076 1.00 0.00 C ATOM 191 O ALA A 14 -19.116 -7.227 10.572 1.00 0.00 O ATOM 192 CB ALA A 14 -19.870 -10.536 11.076 1.00 0.00 C ATOM 0 H ALA A 14 -21.312 -10.623 9.097 1.00 0.00 H new ATOM 0 HA ALA A 14 -20.994 -8.682 10.994 1.00 0.00 H new ATOM 0 HB1 ALA A 14 -19.296 -10.268 11.963 1.00 0.00 H new ATOM 0 HB2 ALA A 14 -20.742 -11.120 11.371 1.00 0.00 H new ATOM 0 HB3 ALA A 14 -19.246 -11.128 10.406 1.00 0.00 H new ATOM 198 N VAL A 15 -18.313 -8.706 9.072 1.00 0.00 N ATOM 199 CA VAL A 15 -17.128 -7.928 8.634 1.00 0.00 C ATOM 200 C VAL A 15 -17.538 -6.480 8.294 1.00 0.00 C ATOM 201 O VAL A 15 -17.213 -5.555 9.038 1.00 0.00 O ATOM 202 CB VAL A 15 -16.423 -8.614 7.440 1.00 0.00 C ATOM 203 CG1 VAL A 15 -15.178 -7.848 6.970 1.00 0.00 C ATOM 204 CG2 VAL A 15 -16.007 -10.051 7.775 1.00 0.00 C ATOM 0 H VAL A 15 -18.459 -9.555 8.526 1.00 0.00 H new ATOM 0 HA VAL A 15 -16.411 -7.894 9.455 1.00 0.00 H new ATOM 0 HB VAL A 15 -17.159 -8.620 6.636 1.00 0.00 H new ATOM 0 HG11 VAL A 15 -14.723 -8.374 6.131 1.00 0.00 H new ATOM 0 HG12 VAL A 15 -15.465 -6.844 6.657 1.00 0.00 H new ATOM 0 HG13 VAL A 15 -14.461 -7.782 7.788 1.00 0.00 H new ATOM 0 HG21 VAL A 15 -15.515 -10.498 6.911 1.00 0.00 H new ATOM 0 HG22 VAL A 15 -15.319 -10.043 8.620 1.00 0.00 H new ATOM 0 HG23 VAL A 15 -16.891 -10.635 8.032 1.00 0.00 H new ATOM 214 N GLU A 16 -18.429 -6.354 7.311 1.00 0.00 N ATOM 215 CA GLU A 16 -18.949 -5.049 6.856 1.00 0.00 C ATOM 216 C GLU A 16 -19.637 -4.223 7.954 1.00 0.00 C ATOM 217 O GLU A 16 -19.241 -3.084 8.188 1.00 0.00 O ATOM 218 CB GLU A 16 -19.859 -5.207 5.633 1.00 0.00 C ATOM 219 CG GLU A 16 -19.015 -5.524 4.396 1.00 0.00 C ATOM 220 CD GLU A 16 -19.826 -5.499 3.101 1.00 0.00 C ATOM 221 OE1 GLU A 16 -19.910 -4.404 2.506 1.00 0.00 O ATOM 222 OE2 GLU A 16 -20.337 -6.586 2.746 1.00 0.00 O ATOM 0 H GLU A 16 -18.816 -7.149 6.803 1.00 0.00 H new ATOM 0 HA GLU A 16 -18.068 -4.475 6.569 1.00 0.00 H new ATOM 0 HB2 GLU A 16 -20.581 -6.005 5.806 1.00 0.00 H new ATOM 0 HB3 GLU A 16 -20.428 -4.292 5.471 1.00 0.00 H new ATOM 0 HG2 GLU A 16 -18.201 -4.803 4.323 1.00 0.00 H new ATOM 0 HG3 GLU A 16 -18.560 -6.507 4.515 1.00 0.00 H new ATOM 229 N SER A 17 -20.489 -4.883 8.736 1.00 0.00 N ATOM 230 CA SER A 17 -21.250 -4.250 9.837 1.00 0.00 C ATOM 231 C SER A 17 -20.340 -3.749 10.975 1.00 0.00 C ATOM 232 O SER A 17 -20.212 -2.541 11.164 1.00 0.00 O ATOM 233 CB SER A 17 -22.312 -5.212 10.378 1.00 0.00 C ATOM 234 OG SER A 17 -23.182 -4.503 11.265 1.00 0.00 O ATOM 0 H SER A 17 -20.679 -5.880 8.631 1.00 0.00 H new ATOM 0 HA SER A 17 -21.744 -3.373 9.419 1.00 0.00 H new ATOM 0 HB2 SER A 17 -22.884 -5.641 9.555 1.00 0.00 H new ATOM 0 HB3 SER A 17 -21.836 -6.041 10.902 1.00 0.00 H new ATOM 0 HG SER A 17 -23.864 -5.115 11.612 1.00 0.00 H new ATOM 240 N LYS A 18 -19.532 -4.658 11.524 1.00 0.00 N ATOM 241 CA LYS A 18 -18.592 -4.381 12.631 1.00 0.00 C ATOM 242 C LYS A 18 -17.530 -3.334 12.249 1.00 0.00 C ATOM 243 O LYS A 18 -17.311 -2.382 12.999 1.00 0.00 O ATOM 244 CB LYS A 18 -17.953 -5.704 13.067 1.00 0.00 C ATOM 245 CG LYS A 18 -17.000 -5.578 14.260 1.00 0.00 C ATOM 246 CD LYS A 18 -16.493 -6.959 14.678 1.00 0.00 C ATOM 247 CE LYS A 18 -15.411 -6.845 15.752 1.00 0.00 C ATOM 248 NZ LYS A 18 -15.017 -8.174 16.240 1.00 0.00 N ATOM 0 H LYS A 18 -19.506 -5.628 11.211 1.00 0.00 H new ATOM 0 HA LYS A 18 -19.143 -3.947 13.465 1.00 0.00 H new ATOM 0 HB2 LYS A 18 -18.744 -6.410 13.321 1.00 0.00 H new ATOM 0 HB3 LYS A 18 -17.407 -6.126 12.223 1.00 0.00 H new ATOM 0 HG2 LYS A 18 -16.158 -4.938 13.996 1.00 0.00 H new ATOM 0 HG3 LYS A 18 -17.513 -5.102 15.096 1.00 0.00 H new ATOM 0 HD2 LYS A 18 -17.323 -7.556 15.055 1.00 0.00 H new ATOM 0 HD3 LYS A 18 -16.094 -7.482 13.809 1.00 0.00 H new ATOM 0 HE2 LYS A 18 -14.541 -6.330 15.345 1.00 0.00 H new ATOM 0 HE3 LYS A 18 -15.779 -6.242 16.582 1.00 0.00 H new ATOM 0 HZ1 LYS A 18 -14.282 -8.072 16.968 1.00 0.00 H new ATOM 0 HZ2 LYS A 18 -15.845 -8.653 16.648 1.00 0.00 H new ATOM 0 HZ3 LYS A 18 -14.645 -8.738 15.449 1.00 0.00 H new ATOM 262 N LEU A 19 -16.971 -3.458 11.046 1.00 0.00 N ATOM 263 CA LEU A 19 -16.035 -2.452 10.507 1.00 0.00 C ATOM 264 C LEU A 19 -16.685 -1.076 10.301 1.00 0.00 C ATOM 265 O LEU A 19 -16.196 -0.106 10.869 1.00 0.00 O ATOM 266 CB LEU A 19 -15.361 -2.943 9.223 1.00 0.00 C ATOM 267 CG LEU A 19 -14.012 -3.673 9.354 1.00 0.00 C ATOM 268 CD1 LEU A 19 -12.921 -2.729 9.867 1.00 0.00 C ATOM 269 CD2 LEU A 19 -14.096 -4.949 10.197 1.00 0.00 C ATOM 0 H LEU A 19 -17.146 -4.244 10.419 1.00 0.00 H new ATOM 0 HA LEU A 19 -15.264 -2.319 11.266 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -16.056 -3.612 8.715 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -15.214 -2.082 8.572 1.00 0.00 H new ATOM 0 HG LEU A 19 -13.738 -3.996 8.350 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -11.979 -3.272 9.950 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -12.801 -1.899 9.171 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -13.205 -2.343 10.846 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -13.112 -5.415 10.250 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -14.434 -4.699 11.203 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -14.802 -5.642 9.739 1.00 0.00 H new ATOM 281 N ALA A 20 -17.875 -1.027 9.696 1.00 0.00 N ATOM 282 CA ALA A 20 -18.653 0.229 9.563 1.00 0.00 C ATOM 283 C ALA A 20 -18.999 0.856 10.930 1.00 0.00 C ATOM 284 O ALA A 20 -18.902 2.073 11.093 1.00 0.00 O ATOM 285 CB ALA A 20 -19.931 -0.012 8.756 1.00 0.00 C ATOM 0 H ALA A 20 -18.331 -1.842 9.285 1.00 0.00 H new ATOM 0 HA ALA A 20 -18.019 0.938 9.031 1.00 0.00 H new ATOM 0 HB1 ALA A 20 -20.488 0.921 8.669 1.00 0.00 H new ATOM 0 HB2 ALA A 20 -19.670 -0.373 7.761 1.00 0.00 H new ATOM 0 HB3 ALA A 20 -20.546 -0.756 9.262 1.00 0.00 H new ATOM 291 N GLU A 21 -19.321 -0.001 11.901 1.00 0.00 N ATOM 292 CA GLU A 21 -19.521 0.354 13.321 1.00 0.00 C ATOM 293 C GLU A 21 -18.260 1.002 13.924 1.00 0.00 C ATOM 294 O GLU A 21 -18.302 2.174 14.302 1.00 0.00 O ATOM 295 CB GLU A 21 -19.925 -0.915 14.086 1.00 0.00 C ATOM 296 CG GLU A 21 -20.255 -0.678 15.565 1.00 0.00 C ATOM 297 CD GLU A 21 -20.425 -1.986 16.351 1.00 0.00 C ATOM 298 OE1 GLU A 21 -21.065 -2.920 15.814 1.00 0.00 O ATOM 299 OE2 GLU A 21 -19.927 -2.013 17.495 1.00 0.00 O ATOM 0 H GLU A 21 -19.456 -0.996 11.722 1.00 0.00 H new ATOM 0 HA GLU A 21 -20.315 1.096 13.403 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -20.793 -1.359 13.598 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -19.115 -1.641 14.018 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -19.461 -0.086 16.020 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.171 -0.092 15.639 1.00 0.00 H new ATOM 306 N ILE A 22 -17.134 0.286 13.908 1.00 0.00 N ATOM 307 CA ILE A 22 -15.862 0.826 14.440 1.00 0.00 C ATOM 308 C ILE A 22 -15.373 2.072 13.681 1.00 0.00 C ATOM 309 O ILE A 22 -14.997 3.049 14.323 1.00 0.00 O ATOM 310 CB ILE A 22 -14.737 -0.211 14.629 1.00 0.00 C ATOM 311 CG1 ILE A 22 -14.294 -0.885 13.323 1.00 0.00 C ATOM 312 CG2 ILE A 22 -15.162 -1.225 15.701 1.00 0.00 C ATOM 313 CD1 ILE A 22 -12.897 -1.508 13.415 1.00 0.00 C ATOM 0 H ILE A 22 -17.067 -0.662 13.538 1.00 0.00 H new ATOM 0 HA ILE A 22 -16.123 1.141 15.450 1.00 0.00 H new ATOM 0 HB ILE A 22 -13.847 0.318 14.970 1.00 0.00 H new ATOM 0 HG12 ILE A 22 -15.014 -1.659 13.057 1.00 0.00 H new ATOM 0 HG13 ILE A 22 -14.306 -0.149 12.519 1.00 0.00 H new ATOM 0 HG21 ILE A 22 -14.370 -1.961 15.839 1.00 0.00 H new ATOM 0 HG22 ILE A 22 -15.343 -0.705 16.642 1.00 0.00 H new ATOM 0 HG23 ILE A 22 -16.075 -1.729 15.384 1.00 0.00 H new ATOM 0 HD11 ILE A 22 -12.641 -1.969 12.461 1.00 0.00 H new ATOM 0 HD12 ILE A 22 -12.168 -0.733 13.651 1.00 0.00 H new ATOM 0 HD13 ILE A 22 -12.888 -2.266 14.198 1.00 0.00 H new ATOM 325 N TRP A 23 -15.595 2.107 12.366 1.00 0.00 N ATOM 326 CA TRP A 23 -15.372 3.308 11.535 1.00 0.00 C ATOM 327 C TRP A 23 -16.166 4.521 12.035 1.00 0.00 C ATOM 328 O TRP A 23 -15.556 5.443 12.570 1.00 0.00 O ATOM 329 CB TRP A 23 -15.664 3.049 10.052 1.00 0.00 C ATOM 330 CG TRP A 23 -14.614 2.178 9.353 1.00 0.00 C ATOM 331 CD1 TRP A 23 -14.882 1.193 8.498 1.00 0.00 C ATOM 332 CD2 TRP A 23 -13.241 2.167 9.574 1.00 0.00 C ATOM 333 NE1 TRP A 23 -13.759 0.543 8.194 1.00 0.00 N ATOM 334 CE2 TRP A 23 -12.742 1.099 8.846 1.00 0.00 C ATOM 335 CE3 TRP A 23 -12.385 2.968 10.320 1.00 0.00 C ATOM 336 CZ2 TRP A 23 -11.386 0.800 8.896 1.00 0.00 C ATOM 337 CZ3 TRP A 23 -11.027 2.674 10.366 1.00 0.00 C ATOM 338 CH2 TRP A 23 -10.535 1.581 9.666 1.00 0.00 C ATOM 0 H TRP A 23 -15.936 1.304 11.838 1.00 0.00 H new ATOM 0 HA TRP A 23 -14.312 3.543 11.632 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -16.638 2.568 9.963 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.732 4.005 9.533 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -15.862 0.957 8.110 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -13.690 -0.254 7.562 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -12.774 3.817 10.863 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -10.995 -0.038 8.337 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -10.357 3.294 10.944 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -9.484 1.337 9.721 1.00 0.00 H new ATOM 349 N GLU A 24 -17.492 4.401 12.092 1.00 0.00 N ATOM 350 CA GLU A 24 -18.373 5.489 12.575 1.00 0.00 C ATOM 351 C GLU A 24 -18.142 5.928 14.034 1.00 0.00 C ATOM 352 O GLU A 24 -18.557 7.024 14.407 1.00 0.00 O ATOM 353 CB GLU A 24 -19.850 5.186 12.297 1.00 0.00 C ATOM 354 CG GLU A 24 -20.441 3.966 13.014 1.00 0.00 C ATOM 355 CD GLU A 24 -21.758 3.476 12.399 1.00 0.00 C ATOM 356 OE1 GLU A 24 -21.961 3.714 11.178 1.00 0.00 O ATOM 357 OE2 GLU A 24 -22.533 2.861 13.156 1.00 0.00 O ATOM 0 H GLU A 24 -17.992 3.558 11.810 1.00 0.00 H new ATOM 0 HA GLU A 24 -18.080 6.358 11.986 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -20.437 6.062 12.573 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -19.974 5.045 11.223 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -19.714 3.154 12.992 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -20.609 4.216 14.062 1.00 0.00 H new ATOM 364 N ARG A 25 -17.653 4.995 14.852 1.00 0.00 N ATOM 365 CA ARG A 25 -17.138 5.258 16.210 1.00 0.00 C ATOM 366 C ARG A 25 -15.820 6.065 16.191 1.00 0.00 C ATOM 367 O ARG A 25 -15.813 7.246 16.537 1.00 0.00 O ATOM 368 CB ARG A 25 -16.944 3.917 16.927 1.00 0.00 C ATOM 369 CG ARG A 25 -17.681 3.826 18.266 1.00 0.00 C ATOM 370 CD ARG A 25 -19.192 3.642 18.098 1.00 0.00 C ATOM 371 NE ARG A 25 -19.792 3.454 19.431 1.00 0.00 N ATOM 372 CZ ARG A 25 -21.073 3.201 19.713 1.00 0.00 C ATOM 373 NH1 ARG A 25 -22.008 3.096 18.777 1.00 0.00 N ATOM 374 NH2 ARG A 25 -21.447 3.047 20.974 1.00 0.00 N ATOM 0 H ARG A 25 -17.600 4.011 14.589 1.00 0.00 H new ATOM 0 HA ARG A 25 -17.864 5.870 16.745 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -17.289 3.113 16.276 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -15.879 3.755 17.096 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -17.279 2.992 18.841 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -17.491 4.731 18.843 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -19.627 4.512 17.606 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -19.400 2.780 17.464 1.00 0.00 H new ATOM 0 HE ARG A 25 -19.158 3.525 20.227 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -21.761 3.210 17.794 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -22.974 2.902 19.041 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -20.759 3.122 21.723 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -22.424 2.854 21.196 1.00 0.00 H new ATOM 388 N VAL A 26 -14.767 5.466 15.630 1.00 0.00 N ATOM 389 CA VAL A 26 -13.383 6.004 15.579 1.00 0.00 C ATOM 390 C VAL A 26 -13.273 7.336 14.802 1.00 0.00 C ATOM 391 O VAL A 26 -12.539 8.230 15.213 1.00 0.00 O ATOM 392 CB VAL A 26 -12.424 4.911 15.049 1.00 0.00 C ATOM 393 CG1 VAL A 26 -10.977 5.388 14.866 1.00 0.00 C ATOM 394 CG2 VAL A 26 -12.383 3.712 16.004 1.00 0.00 C ATOM 0 H VAL A 26 -14.846 4.555 15.177 1.00 0.00 H new ATOM 0 HA VAL A 26 -13.082 6.263 16.594 1.00 0.00 H new ATOM 0 HB VAL A 26 -12.828 4.640 14.073 1.00 0.00 H new ATOM 0 HG11 VAL A 26 -10.367 4.565 14.492 1.00 0.00 H new ATOM 0 HG12 VAL A 26 -10.953 6.211 14.152 1.00 0.00 H new ATOM 0 HG13 VAL A 26 -10.582 5.726 15.824 1.00 0.00 H new ATOM 0 HG21 VAL A 26 -11.703 2.957 15.611 1.00 0.00 H new ATOM 0 HG22 VAL A 26 -12.035 4.039 16.984 1.00 0.00 H new ATOM 0 HG23 VAL A 26 -13.382 3.287 16.097 1.00 0.00 H new ATOM 404 N LEU A 27 -14.037 7.458 13.718 1.00 0.00 N ATOM 405 CA LEU A 27 -14.186 8.690 12.909 1.00 0.00 C ATOM 406 C LEU A 27 -14.711 9.902 13.713 1.00 0.00 C ATOM 407 O LEU A 27 -14.468 11.048 13.342 1.00 0.00 O ATOM 408 CB LEU A 27 -15.114 8.327 11.737 1.00 0.00 C ATOM 409 CG LEU A 27 -15.480 9.420 10.727 1.00 0.00 C ATOM 410 CD1 LEU A 27 -15.717 8.761 9.369 1.00 0.00 C ATOM 411 CD2 LEU A 27 -16.780 10.125 11.131 1.00 0.00 C ATOM 0 H LEU A 27 -14.592 6.682 13.358 1.00 0.00 H new ATOM 0 HA LEU A 27 -13.209 9.019 12.556 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -14.648 7.510 11.186 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -16.042 7.940 12.157 1.00 0.00 H new ATOM 0 HG LEU A 27 -14.669 10.147 10.691 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -15.979 9.523 8.635 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -14.810 8.248 9.050 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -16.531 8.041 9.451 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -17.018 10.896 10.399 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -17.591 9.398 11.170 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -16.656 10.583 12.112 1.00 0.00 H new ATOM 423 N GLY A 28 -15.404 9.598 14.818 1.00 0.00 N ATOM 424 CA GLY A 28 -16.148 10.582 15.626 1.00 0.00 C ATOM 425 C GLY A 28 -17.622 10.171 15.653 1.00 0.00 C ATOM 426 O GLY A 28 -18.338 10.414 14.679 1.00 0.00 O ATOM 0 H GLY A 28 -15.467 8.648 15.184 1.00 0.00 H new ATOM 0 HA2 GLY A 28 -15.747 10.622 16.639 1.00 0.00 H new ATOM 0 HA3 GLY A 28 -16.041 11.580 15.201 1.00 0.00 H new ATOM 430 N VAL A 29 -17.895 9.269 16.596 1.00 0.00 N ATOM 431 CA VAL A 29 -19.212 8.674 16.930 1.00 0.00 C ATOM 432 C VAL A 29 -20.450 9.413 16.376 1.00 0.00 C ATOM 433 O VAL A 29 -20.922 10.409 16.920 1.00 0.00 O ATOM 434 CB VAL A 29 -19.260 8.327 18.436 1.00 0.00 C ATOM 435 CG1 VAL A 29 -19.182 9.542 19.368 1.00 0.00 C ATOM 436 CG2 VAL A 29 -20.450 7.422 18.775 1.00 0.00 C ATOM 0 H VAL A 29 -17.156 8.901 17.196 1.00 0.00 H new ATOM 0 HA VAL A 29 -19.291 7.740 16.374 1.00 0.00 H new ATOM 0 HB VAL A 29 -18.346 7.765 18.627 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -19.222 9.208 20.405 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -18.247 10.074 19.194 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -20.021 10.208 19.168 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -20.447 7.202 19.843 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -21.379 7.928 18.511 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -20.371 6.492 18.212 1.00 0.00 H new ATOM 446 N SER A 30 -20.828 8.963 15.183 1.00 0.00 N ATOM 447 CA SER A 30 -21.920 9.569 14.388 1.00 0.00 C ATOM 448 C SER A 30 -22.742 8.575 13.548 1.00 0.00 C ATOM 449 O SER A 30 -23.899 8.323 13.875 1.00 0.00 O ATOM 450 CB SER A 30 -21.392 10.733 13.535 1.00 0.00 C ATOM 451 OG SER A 30 -20.242 10.328 12.779 1.00 0.00 O ATOM 0 H SER A 30 -20.389 8.163 14.728 1.00 0.00 H new ATOM 0 HA SER A 30 -22.630 9.955 15.119 1.00 0.00 H new ATOM 0 HB2 SER A 30 -22.174 11.079 12.859 1.00 0.00 H new ATOM 0 HB3 SER A 30 -21.132 11.573 14.179 1.00 0.00 H new ATOM 0 HG SER A 30 -19.428 10.556 13.274 1.00 0.00 H new ATOM 457 N GLY A 31 -22.161 8.080 12.443 1.00 0.00 N ATOM 458 CA GLY A 31 -22.822 7.063 11.591 1.00 0.00 C ATOM 459 C GLY A 31 -22.635 7.270 10.081 1.00 0.00 C ATOM 460 O GLY A 31 -23.282 8.122 9.478 1.00 0.00 O ATOM 0 H GLY A 31 -21.238 8.363 12.115 1.00 0.00 H new ATOM 0 HA2 GLY A 31 -22.438 6.079 11.859 1.00 0.00 H new ATOM 0 HA3 GLY A 31 -23.889 7.060 11.814 1.00 0.00 H new ATOM 464 N ILE A 32 -21.874 6.364 9.473 1.00 0.00 N ATOM 465 CA ILE A 32 -21.495 6.464 8.041 1.00 0.00 C ATOM 466 C ILE A 32 -22.095 5.370 7.129 1.00 0.00 C ATOM 467 O ILE A 32 -23.058 5.630 6.409 1.00 0.00 O ATOM 468 CB ILE A 32 -19.975 6.651 7.823 1.00 0.00 C ATOM 469 CG1 ILE A 32 -19.114 5.679 8.651 1.00 0.00 C ATOM 470 CG2 ILE A 32 -19.606 8.123 8.053 1.00 0.00 C ATOM 471 CD1 ILE A 32 -17.659 5.585 8.180 1.00 0.00 C ATOM 0 H ILE A 32 -21.498 5.540 9.943 1.00 0.00 H new ATOM 0 HA ILE A 32 -21.973 7.387 7.712 1.00 0.00 H new ATOM 0 HB ILE A 32 -19.746 6.393 6.789 1.00 0.00 H new ATOM 0 HG12 ILE A 32 -19.128 5.994 9.694 1.00 0.00 H new ATOM 0 HG13 ILE A 32 -19.563 4.687 8.612 1.00 0.00 H new ATOM 0 HG21 ILE A 32 -18.535 8.258 7.900 1.00 0.00 H new ATOM 0 HG22 ILE A 32 -20.155 8.750 7.350 1.00 0.00 H new ATOM 0 HG23 ILE A 32 -19.866 8.408 9.072 1.00 0.00 H new ATOM 0 HD11 ILE A 32 -17.117 4.882 8.812 1.00 0.00 H new ATOM 0 HD12 ILE A 32 -17.633 5.239 7.147 1.00 0.00 H new ATOM 0 HD13 ILE A 32 -17.191 6.567 8.246 1.00 0.00 H new ATOM 483 N GLY A 33 -21.453 4.193 7.103 1.00 0.00 N ATOM 484 CA GLY A 33 -21.901 3.027 6.311 1.00 0.00 C ATOM 485 C GLY A 33 -20.848 2.558 5.297 1.00 0.00 C ATOM 486 O GLY A 33 -19.755 3.118 5.216 1.00 0.00 O ATOM 0 H GLY A 33 -20.600 4.017 7.634 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -22.141 2.205 6.986 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -22.819 3.283 5.782 1.00 0.00 H new ATOM 490 N ILE A 34 -21.286 1.659 4.413 1.00 0.00 N ATOM 491 CA ILE A 34 -20.425 0.992 3.405 1.00 0.00 C ATOM 492 C ILE A 34 -19.622 1.973 2.524 1.00 0.00 C ATOM 493 O ILE A 34 -18.436 1.755 2.301 1.00 0.00 O ATOM 494 CB ILE A 34 -21.237 -0.054 2.601 1.00 0.00 C ATOM 495 CG1 ILE A 34 -21.662 -1.200 3.542 1.00 0.00 C ATOM 496 CG2 ILE A 34 -20.501 -0.561 1.348 1.00 0.00 C ATOM 497 CD1 ILE A 34 -22.425 -2.386 2.931 1.00 0.00 C ATOM 0 H ILE A 34 -22.261 1.362 4.368 1.00 0.00 H new ATOM 0 HA ILE A 34 -19.651 0.449 3.948 1.00 0.00 H new ATOM 0 HB ILE A 34 -22.131 0.435 2.214 1.00 0.00 H new ATOM 0 HG12 ILE A 34 -20.764 -1.591 4.020 1.00 0.00 H new ATOM 0 HG13 ILE A 34 -22.283 -0.773 4.330 1.00 0.00 H new ATOM 0 HG21 ILE A 34 -21.124 -1.291 0.830 1.00 0.00 H new ATOM 0 HG22 ILE A 34 -20.295 0.278 0.683 1.00 0.00 H new ATOM 0 HG23 ILE A 34 -19.562 -1.030 1.642 1.00 0.00 H new ATOM 0 HD11 ILE A 34 -22.656 -3.111 3.711 1.00 0.00 H new ATOM 0 HD12 ILE A 34 -23.352 -2.030 2.481 1.00 0.00 H new ATOM 0 HD13 ILE A 34 -21.809 -2.860 2.167 1.00 0.00 H new ATOM 509 N LEU A 35 -20.292 3.006 2.017 1.00 0.00 N ATOM 510 CA LEU A 35 -19.663 4.075 1.213 1.00 0.00 C ATOM 511 C LEU A 35 -18.595 4.915 1.939 1.00 0.00 C ATOM 512 O LEU A 35 -17.692 5.460 1.303 1.00 0.00 O ATOM 513 CB LEU A 35 -20.740 4.995 0.625 1.00 0.00 C ATOM 514 CG LEU A 35 -21.345 4.494 -0.696 1.00 0.00 C ATOM 515 CD1 LEU A 35 -22.220 3.246 -0.533 1.00 0.00 C ATOM 516 CD2 LEU A 35 -22.149 5.623 -1.345 1.00 0.00 C ATOM 0 H LEU A 35 -21.295 3.134 2.149 1.00 0.00 H new ATOM 0 HA LEU A 35 -19.122 3.550 0.426 1.00 0.00 H new ATOM 0 HB2 LEU A 35 -21.540 5.113 1.356 1.00 0.00 H new ATOM 0 HB3 LEU A 35 -20.309 5.983 0.462 1.00 0.00 H new ATOM 0 HG LEU A 35 -20.514 4.199 -1.337 1.00 0.00 H new ATOM 0 HD11 LEU A 35 -22.614 2.948 -1.505 1.00 0.00 H new ATOM 0 HD12 LEU A 35 -21.622 2.434 -0.119 1.00 0.00 H new ATOM 0 HD13 LEU A 35 -23.047 3.467 0.141 1.00 0.00 H new ATOM 0 HD21 LEU A 35 -22.579 5.271 -2.282 1.00 0.00 H new ATOM 0 HD22 LEU A 35 -22.949 5.933 -0.672 1.00 0.00 H new ATOM 0 HD23 LEU A 35 -21.492 6.470 -1.543 1.00 0.00 H new ATOM 528 N ASP A 36 -18.686 4.972 3.271 1.00 0.00 N ATOM 529 CA ASP A 36 -17.838 5.827 4.136 1.00 0.00 C ATOM 530 C ASP A 36 -17.938 7.294 3.649 1.00 0.00 C ATOM 531 O ASP A 36 -19.023 7.729 3.273 1.00 0.00 O ATOM 532 CB ASP A 36 -16.404 5.253 4.166 1.00 0.00 C ATOM 533 CG ASP A 36 -16.341 3.826 4.732 1.00 0.00 C ATOM 534 OD1 ASP A 36 -16.200 3.722 5.970 1.00 0.00 O ATOM 535 OD2 ASP A 36 -16.500 2.875 3.938 1.00 0.00 O ATOM 0 H ASP A 36 -19.361 4.418 3.797 1.00 0.00 H new ATOM 0 HA ASP A 36 -18.182 5.828 5.170 1.00 0.00 H new ATOM 0 HB2 ASP A 36 -15.996 5.255 3.155 1.00 0.00 H new ATOM 0 HB3 ASP A 36 -15.770 5.905 4.767 1.00 0.00 H new ATOM 540 N ASN A 37 -16.884 8.084 3.824 1.00 0.00 N ATOM 541 CA ASN A 37 -16.737 9.376 3.119 1.00 0.00 C ATOM 542 C ASN A 37 -15.533 9.391 2.149 1.00 0.00 C ATOM 543 O ASN A 37 -15.205 10.424 1.574 1.00 0.00 O ATOM 544 CB ASN A 37 -16.686 10.470 4.201 1.00 0.00 C ATOM 545 CG ASN A 37 -16.093 11.823 3.784 1.00 0.00 C ATOM 546 OD1 ASN A 37 -14.894 12.044 3.902 1.00 0.00 O ATOM 547 ND2 ASN A 37 -16.914 12.730 3.301 1.00 0.00 N ATOM 0 H ASN A 37 -16.109 7.861 4.449 1.00 0.00 H new ATOM 0 HA ASN A 37 -17.586 9.559 2.461 1.00 0.00 H new ATOM 0 HB2 ASN A 37 -17.700 10.640 4.562 1.00 0.00 H new ATOM 0 HB3 ASN A 37 -16.108 10.090 5.043 1.00 0.00 H new ATOM 0 HD21 ASN A 37 -16.556 13.641 3.015 1.00 0.00 H new ATOM 0 HD22 ASN A 37 -17.909 12.522 3.212 1.00 0.00 H new ATOM 554 N PHE A 38 -14.975 8.209 1.874 1.00 0.00 N ATOM 555 CA PHE A 38 -13.729 7.992 1.093 1.00 0.00 C ATOM 556 C PHE A 38 -12.527 8.943 1.323 1.00 0.00 C ATOM 557 O PHE A 38 -11.562 8.955 0.562 1.00 0.00 O ATOM 558 CB PHE A 38 -14.062 7.814 -0.401 1.00 0.00 C ATOM 559 CG PHE A 38 -14.831 8.978 -1.033 1.00 0.00 C ATOM 560 CD1 PHE A 38 -14.134 10.059 -1.558 1.00 0.00 C ATOM 561 CD2 PHE A 38 -16.221 8.984 -1.016 1.00 0.00 C ATOM 562 CE1 PHE A 38 -14.828 11.154 -2.052 1.00 0.00 C ATOM 563 CE2 PHE A 38 -16.914 10.084 -1.503 1.00 0.00 C ATOM 564 CZ PHE A 38 -16.217 11.170 -2.020 1.00 0.00 C ATOM 0 H PHE A 38 -15.387 7.334 2.197 1.00 0.00 H new ATOM 0 HA PHE A 38 -13.330 7.070 1.516 1.00 0.00 H new ATOM 0 HB2 PHE A 38 -13.132 7.671 -0.951 1.00 0.00 H new ATOM 0 HB3 PHE A 38 -14.647 6.903 -0.522 1.00 0.00 H new ATOM 0 HD1 PHE A 38 -13.054 10.047 -1.582 1.00 0.00 H new ATOM 0 HD2 PHE A 38 -16.761 8.134 -0.625 1.00 0.00 H new ATOM 0 HE1 PHE A 38 -14.288 11.995 -2.462 1.00 0.00 H new ATOM 0 HE2 PHE A 38 -17.994 10.096 -1.480 1.00 0.00 H new ATOM 0 HZ PHE A 38 -16.756 12.027 -2.397 1.00 0.00 H new ATOM 574 N PHE A 39 -12.599 9.703 2.416 1.00 0.00 N ATOM 575 CA PHE A 39 -11.552 10.647 2.854 1.00 0.00 C ATOM 576 C PHE A 39 -11.274 10.556 4.370 1.00 0.00 C ATOM 577 O PHE A 39 -10.249 10.006 4.781 1.00 0.00 O ATOM 578 CB PHE A 39 -12.002 12.040 2.391 1.00 0.00 C ATOM 579 CG PHE A 39 -11.020 13.164 2.717 1.00 0.00 C ATOM 580 CD1 PHE A 39 -9.949 13.416 1.868 1.00 0.00 C ATOM 581 CD2 PHE A 39 -11.303 14.036 3.761 1.00 0.00 C ATOM 582 CE1 PHE A 39 -9.165 14.545 2.059 1.00 0.00 C ATOM 583 CE2 PHE A 39 -10.519 15.166 3.951 1.00 0.00 C ATOM 584 CZ PHE A 39 -9.450 15.422 3.099 1.00 0.00 C ATOM 0 H PHE A 39 -13.404 9.684 3.042 1.00 0.00 H new ATOM 0 HA PHE A 39 -10.589 10.402 2.405 1.00 0.00 H new ATOM 0 HB2 PHE A 39 -12.163 12.016 1.313 1.00 0.00 H new ATOM 0 HB3 PHE A 39 -12.963 12.269 2.852 1.00 0.00 H new ATOM 0 HD1 PHE A 39 -9.727 12.734 1.061 1.00 0.00 H new ATOM 0 HD2 PHE A 39 -12.132 13.835 4.424 1.00 0.00 H new ATOM 0 HE1 PHE A 39 -8.333 14.742 1.399 1.00 0.00 H new ATOM 0 HE2 PHE A 39 -10.739 15.846 4.760 1.00 0.00 H new ATOM 0 HZ PHE A 39 -8.841 16.302 3.245 1.00 0.00 H new ATOM 594 N GLN A 40 -12.247 10.987 5.182 1.00 0.00 N ATOM 595 CA GLN A 40 -12.165 11.042 6.666 1.00 0.00 C ATOM 596 C GLN A 40 -12.125 9.703 7.452 1.00 0.00 C ATOM 597 O GLN A 40 -12.581 9.606 8.589 1.00 0.00 O ATOM 598 CB GLN A 40 -13.253 11.999 7.194 1.00 0.00 C ATOM 599 CG GLN A 40 -14.681 11.485 6.962 1.00 0.00 C ATOM 600 CD GLN A 40 -15.782 12.493 7.308 1.00 0.00 C ATOM 601 OE1 GLN A 40 -16.210 13.316 6.510 1.00 0.00 O ATOM 602 NE2 GLN A 40 -16.352 12.359 8.484 1.00 0.00 N ATOM 0 H GLN A 40 -13.143 11.319 4.825 1.00 0.00 H new ATOM 0 HA GLN A 40 -11.164 11.422 6.870 1.00 0.00 H new ATOM 0 HB2 GLN A 40 -13.101 12.157 8.262 1.00 0.00 H new ATOM 0 HB3 GLN A 40 -13.140 12.969 6.709 1.00 0.00 H new ATOM 0 HG2 GLN A 40 -14.785 11.197 5.916 1.00 0.00 H new ATOM 0 HG3 GLN A 40 -14.831 10.584 7.557 1.00 0.00 H new ATOM 0 HE21 GLN A 40 -15.995 11.673 9.149 1.00 0.00 H new ATOM 0 HE22 GLN A 40 -17.152 12.941 8.732 1.00 0.00 H new ATOM 611 N ILE A 41 -11.522 8.685 6.840 1.00 0.00 N ATOM 612 CA ILE A 41 -11.277 7.361 7.461 1.00 0.00 C ATOM 613 C ILE A 41 -9.777 7.013 7.563 1.00 0.00 C ATOM 614 O ILE A 41 -9.365 6.299 8.475 1.00 0.00 O ATOM 615 CB ILE A 41 -12.064 6.185 6.833 1.00 0.00 C ATOM 616 CG1 ILE A 41 -11.735 5.831 5.368 1.00 0.00 C ATOM 617 CG2 ILE A 41 -13.568 6.313 7.114 1.00 0.00 C ATOM 618 CD1 ILE A 41 -12.013 6.894 4.300 1.00 0.00 C ATOM 0 H ILE A 41 -11.180 8.747 5.881 1.00 0.00 H new ATOM 0 HA ILE A 41 -11.674 7.484 8.469 1.00 0.00 H new ATOM 0 HB ILE A 41 -11.693 5.302 7.353 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -10.678 5.570 5.315 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -12.298 4.935 5.105 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -14.095 5.474 6.661 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.739 6.310 8.191 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -13.939 7.246 6.690 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -11.734 6.507 3.320 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -13.074 7.144 4.303 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -11.429 7.789 4.516 1.00 0.00 H new ATOM 630 N GLY A 42 -9.016 7.400 6.526 1.00 0.00 N ATOM 631 CA GLY A 42 -7.538 7.364 6.565 1.00 0.00 C ATOM 632 C GLY A 42 -6.923 8.513 7.375 1.00 0.00 C ATOM 633 O GLY A 42 -6.003 8.304 8.167 1.00 0.00 O ATOM 0 H GLY A 42 -9.399 7.743 5.645 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -7.216 6.414 6.993 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -7.154 7.401 5.546 1.00 0.00 H new ATOM 637 N GLY A 43 -7.458 9.720 7.131 1.00 0.00 N ATOM 638 CA GLY A 43 -6.983 10.968 7.763 1.00 0.00 C ATOM 639 C GLY A 43 -5.512 11.286 7.450 1.00 0.00 C ATOM 640 O GLY A 43 -4.828 10.575 6.714 1.00 0.00 O ATOM 0 H GLY A 43 -8.236 9.862 6.487 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -7.606 11.797 7.428 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -7.109 10.891 8.843 1.00 0.00 H new ATOM 644 N HIS A 44 -5.058 12.396 8.022 1.00 0.00 N ATOM 645 CA HIS A 44 -3.659 12.856 7.904 1.00 0.00 C ATOM 646 C HIS A 44 -2.989 13.000 9.286 1.00 0.00 C ATOM 647 O HIS A 44 -2.508 14.061 9.684 1.00 0.00 O ATOM 648 CB HIS A 44 -3.592 14.137 7.050 1.00 0.00 C ATOM 649 CG HIS A 44 -4.291 15.385 7.613 1.00 0.00 C ATOM 650 ND1 HIS A 44 -5.469 15.454 8.232 1.00 0.00 N flip ATOM 651 CD2 HIS A 44 -3.835 16.628 7.490 1.00 0.00 C flip ATOM 652 CE1 HIS A 44 -5.734 16.727 8.495 1.00 0.00 C flip ATOM 653 NE2 HIS A 44 -4.721 17.455 8.036 1.00 0.00 N flip ATOM 0 H HIS A 44 -5.644 13.012 8.585 1.00 0.00 H new ATOM 0 HA HIS A 44 -3.078 12.096 7.382 1.00 0.00 H new ATOM 0 HB2 HIS A 44 -2.542 14.381 6.886 1.00 0.00 H new ATOM 0 HB3 HIS A 44 -4.024 13.917 6.074 1.00 0.00 H new ATOM 0 HD2 HIS A 44 -2.904 16.916 7.026 1.00 0.00 H new ATOM 0 HE1 HIS A 44 -6.615 17.104 8.993 1.00 0.00 H new ATOM 0 HE2 HIS A 44 -4.638 18.470 8.093 1.00 0.00 H new ATOM 662 N SER A 45 -3.011 11.882 10.013 1.00 0.00 N ATOM 663 CA SER A 45 -2.588 11.749 11.429 1.00 0.00 C ATOM 664 C SER A 45 -2.607 10.273 11.877 1.00 0.00 C ATOM 665 O SER A 45 -2.676 9.380 11.031 1.00 0.00 O ATOM 666 CB SER A 45 -3.485 12.608 12.338 1.00 0.00 C ATOM 667 OG SER A 45 -3.051 13.967 12.304 1.00 0.00 O ATOM 0 H SER A 45 -3.337 10.998 9.623 1.00 0.00 H new ATOM 0 HA SER A 45 -1.563 12.109 11.514 1.00 0.00 H new ATOM 0 HB2 SER A 45 -4.522 12.540 12.009 1.00 0.00 H new ATOM 0 HB3 SER A 45 -3.449 12.231 13.360 1.00 0.00 H new ATOM 0 HG SER A 45 -2.548 14.129 11.479 1.00 0.00 H new ATOM 673 N LEU A 46 -2.667 10.031 13.191 1.00 0.00 N ATOM 674 CA LEU A 46 -2.684 8.682 13.804 1.00 0.00 C ATOM 675 C LEU A 46 -3.753 7.693 13.297 1.00 0.00 C ATOM 676 O LEU A 46 -3.584 6.486 13.455 1.00 0.00 O ATOM 677 CB LEU A 46 -2.722 8.751 15.341 1.00 0.00 C ATOM 678 CG LEU A 46 -4.012 9.316 15.953 1.00 0.00 C ATOM 679 CD1 LEU A 46 -4.200 8.726 17.351 1.00 0.00 C ATOM 680 CD2 LEU A 46 -3.959 10.842 16.065 1.00 0.00 C ATOM 0 H LEU A 46 -2.706 10.781 13.882 1.00 0.00 H new ATOM 0 HA LEU A 46 -1.738 8.262 13.461 1.00 0.00 H new ATOM 0 HB2 LEU A 46 -2.565 7.747 15.735 1.00 0.00 H new ATOM 0 HB3 LEU A 46 -1.884 9.361 15.679 1.00 0.00 H new ATOM 0 HG LEU A 46 -4.844 9.047 15.302 1.00 0.00 H new ATOM 0 HD11 LEU A 46 -5.114 9.122 17.793 1.00 0.00 H new ATOM 0 HD12 LEU A 46 -4.271 7.641 17.281 1.00 0.00 H new ATOM 0 HD13 LEU A 46 -3.349 8.994 17.977 1.00 0.00 H new ATOM 0 HD21 LEU A 46 -4.888 11.207 16.502 1.00 0.00 H new ATOM 0 HD22 LEU A 46 -3.121 11.131 16.699 1.00 0.00 H new ATOM 0 HD23 LEU A 46 -3.830 11.275 15.073 1.00 0.00 H new ATOM 692 N LYS A 47 -4.825 8.202 12.686 1.00 0.00 N ATOM 693 CA LYS A 47 -5.872 7.392 12.023 1.00 0.00 C ATOM 694 C LYS A 47 -5.302 6.280 11.121 1.00 0.00 C ATOM 695 O LYS A 47 -5.412 5.109 11.475 1.00 0.00 O ATOM 696 CB LYS A 47 -6.816 8.311 11.238 1.00 0.00 C ATOM 697 CG LYS A 47 -7.860 8.982 12.138 1.00 0.00 C ATOM 698 CD LYS A 47 -9.033 8.050 12.470 1.00 0.00 C ATOM 699 CE LYS A 47 -10.006 7.926 11.293 1.00 0.00 C ATOM 700 NZ LYS A 47 -11.064 6.941 11.563 1.00 0.00 N ATOM 0 H LYS A 47 -5.001 9.205 12.632 1.00 0.00 H new ATOM 0 HA LYS A 47 -6.429 6.879 12.807 1.00 0.00 H new ATOM 0 HB2 LYS A 47 -6.232 9.078 10.729 1.00 0.00 H new ATOM 0 HB3 LYS A 47 -7.324 7.732 10.466 1.00 0.00 H new ATOM 0 HG2 LYS A 47 -7.384 9.306 13.063 1.00 0.00 H new ATOM 0 HG3 LYS A 47 -8.239 9.877 11.645 1.00 0.00 H new ATOM 0 HD2 LYS A 47 -8.651 7.063 12.733 1.00 0.00 H new ATOM 0 HD3 LYS A 47 -9.564 8.429 13.343 1.00 0.00 H new ATOM 0 HE2 LYS A 47 -10.457 8.897 11.090 1.00 0.00 H new ATOM 0 HE3 LYS A 47 -9.458 7.635 10.397 1.00 0.00 H new ATOM 0 HZ1 LYS A 47 -11.673 6.847 10.725 1.00 0.00 H new ATOM 0 HZ2 LYS A 47 -10.633 6.020 11.783 1.00 0.00 H new ATOM 0 HZ3 LYS A 47 -11.635 7.258 12.372 1.00 0.00 H new ATOM 714 N ALA A 48 -4.519 6.662 10.110 1.00 0.00 N ATOM 715 CA ALA A 48 -3.781 5.716 9.242 1.00 0.00 C ATOM 716 C ALA A 48 -2.912 4.688 9.997 1.00 0.00 C ATOM 717 O ALA A 48 -2.933 3.510 9.653 1.00 0.00 O ATOM 718 CB ALA A 48 -2.921 6.505 8.250 1.00 0.00 C ATOM 0 H ALA A 48 -4.372 7.640 9.862 1.00 0.00 H new ATOM 0 HA ALA A 48 -4.538 5.126 8.725 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -2.376 5.812 7.609 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.562 7.139 7.637 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -2.212 7.127 8.797 1.00 0.00 H new ATOM 724 N MET A 49 -2.280 5.121 11.090 1.00 0.00 N ATOM 725 CA MET A 49 -1.485 4.257 11.997 1.00 0.00 C ATOM 726 C MET A 49 -2.355 3.210 12.720 1.00 0.00 C ATOM 727 O MET A 49 -2.091 2.011 12.643 1.00 0.00 O ATOM 728 CB MET A 49 -0.745 5.112 13.034 1.00 0.00 C ATOM 729 CG MET A 49 0.276 6.078 12.421 1.00 0.00 C ATOM 730 SD MET A 49 1.735 5.259 11.677 1.00 0.00 S ATOM 731 CE MET A 49 2.647 4.819 13.141 1.00 0.00 C ATOM 0 H MET A 49 -2.300 6.097 11.384 1.00 0.00 H new ATOM 0 HA MET A 49 -0.766 3.722 11.376 1.00 0.00 H new ATOM 0 HB2 MET A 49 -1.474 5.684 13.607 1.00 0.00 H new ATOM 0 HB3 MET A 49 -0.233 4.454 13.736 1.00 0.00 H new ATOM 0 HG2 MET A 49 -0.220 6.675 11.656 1.00 0.00 H new ATOM 0 HG3 MET A 49 0.616 6.768 13.194 1.00 0.00 H new ATOM 0 HE1 MET A 49 3.607 4.390 12.856 1.00 0.00 H new ATOM 0 HE2 MET A 49 2.813 5.709 13.747 1.00 0.00 H new ATOM 0 HE3 MET A 49 2.080 4.088 13.717 1.00 0.00 H new ATOM 741 N ALA A 50 -3.449 3.676 13.321 1.00 0.00 N ATOM 742 CA ALA A 50 -4.475 2.827 13.967 1.00 0.00 C ATOM 743 C ALA A 50 -5.146 1.854 12.978 1.00 0.00 C ATOM 744 O ALA A 50 -5.451 0.711 13.317 1.00 0.00 O ATOM 745 CB ALA A 50 -5.529 3.723 14.624 1.00 0.00 C ATOM 0 H ALA A 50 -3.660 4.672 13.379 1.00 0.00 H new ATOM 0 HA ALA A 50 -3.976 2.216 14.719 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -6.287 3.103 15.101 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -5.053 4.355 15.373 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -5.998 4.350 13.865 1.00 0.00 H new ATOM 751 N VAL A 51 -5.363 2.330 11.751 1.00 0.00 N ATOM 752 CA VAL A 51 -5.834 1.480 10.640 1.00 0.00 C ATOM 753 C VAL A 51 -4.764 0.436 10.267 1.00 0.00 C ATOM 754 O VAL A 51 -5.076 -0.749 10.258 1.00 0.00 O ATOM 755 CB VAL A 51 -6.302 2.284 9.412 1.00 0.00 C ATOM 756 CG1 VAL A 51 -6.924 1.346 8.373 1.00 0.00 C ATOM 757 CG2 VAL A 51 -7.343 3.349 9.775 1.00 0.00 C ATOM 0 H VAL A 51 -5.221 3.307 11.494 1.00 0.00 H new ATOM 0 HA VAL A 51 -6.720 0.955 10.998 1.00 0.00 H new ATOM 0 HB VAL A 51 -5.419 2.781 9.010 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -7.251 1.925 7.510 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -6.184 0.611 8.057 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -7.780 0.834 8.812 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -7.641 3.888 8.876 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -8.216 2.869 10.216 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -6.913 4.049 10.492 1.00 0.00 H new ATOM 767 N ALA A 52 -3.504 0.846 10.118 1.00 0.00 N ATOM 768 CA ALA A 52 -2.378 -0.084 9.878 1.00 0.00 C ATOM 769 C ALA A 52 -2.305 -1.203 10.935 1.00 0.00 C ATOM 770 O ALA A 52 -2.270 -2.377 10.573 1.00 0.00 O ATOM 771 CB ALA A 52 -1.055 0.686 9.839 1.00 0.00 C ATOM 0 H ALA A 52 -3.226 1.827 10.159 1.00 0.00 H new ATOM 0 HA ALA A 52 -2.555 -0.559 8.913 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -0.234 -0.009 9.662 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -1.086 1.423 9.036 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.901 1.194 10.791 1.00 0.00 H new ATOM 777 N ALA A 53 -2.518 -0.831 12.198 1.00 0.00 N ATOM 778 CA ALA A 53 -2.630 -1.773 13.333 1.00 0.00 C ATOM 779 C ALA A 53 -3.752 -2.816 13.150 1.00 0.00 C ATOM 780 O ALA A 53 -3.468 -4.014 13.090 1.00 0.00 O ATOM 781 CB ALA A 53 -2.816 -0.980 14.629 1.00 0.00 C ATOM 0 H ALA A 53 -2.620 0.146 12.474 1.00 0.00 H new ATOM 0 HA ALA A 53 -1.704 -2.346 13.380 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -2.899 -1.670 15.469 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -1.958 -0.325 14.781 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -3.723 -0.380 14.561 1.00 0.00 H new ATOM 787 N GLN A 54 -4.984 -2.350 12.933 1.00 0.00 N ATOM 788 CA GLN A 54 -6.139 -3.239 12.672 1.00 0.00 C ATOM 789 C GLN A 54 -6.024 -4.046 11.363 1.00 0.00 C ATOM 790 O GLN A 54 -6.286 -5.244 11.350 1.00 0.00 O ATOM 791 CB GLN A 54 -7.479 -2.491 12.778 1.00 0.00 C ATOM 792 CG GLN A 54 -7.713 -1.434 11.693 1.00 0.00 C ATOM 793 CD GLN A 54 -8.965 -0.599 11.946 1.00 0.00 C ATOM 794 OE1 GLN A 54 -10.064 -0.915 11.513 1.00 0.00 O ATOM 795 NE2 GLN A 54 -8.797 0.510 12.628 1.00 0.00 N ATOM 0 H GLN A 54 -5.217 -1.357 12.931 1.00 0.00 H new ATOM 0 HA GLN A 54 -6.117 -3.982 13.469 1.00 0.00 H new ATOM 0 HB2 GLN A 54 -8.289 -3.219 12.737 1.00 0.00 H new ATOM 0 HB3 GLN A 54 -7.533 -2.008 13.754 1.00 0.00 H new ATOM 0 HG2 GLN A 54 -6.846 -0.775 11.640 1.00 0.00 H new ATOM 0 HG3 GLN A 54 -7.799 -1.926 10.724 1.00 0.00 H new ATOM 0 HE21 GLN A 54 -7.872 0.756 12.981 1.00 0.00 H new ATOM 0 HE22 GLN A 54 -9.591 1.125 12.805 1.00 0.00 H new ATOM 804 N VAL A 55 -5.483 -3.420 10.321 1.00 0.00 N ATOM 805 CA VAL A 55 -5.205 -4.068 9.022 1.00 0.00 C ATOM 806 C VAL A 55 -4.133 -5.170 9.154 1.00 0.00 C ATOM 807 O VAL A 55 -4.312 -6.251 8.608 1.00 0.00 O ATOM 808 CB VAL A 55 -4.907 -3.006 7.939 1.00 0.00 C ATOM 809 CG1 VAL A 55 -4.467 -3.596 6.595 1.00 0.00 C ATOM 810 CG2 VAL A 55 -6.174 -2.198 7.651 1.00 0.00 C ATOM 0 H VAL A 55 -5.218 -2.435 10.345 1.00 0.00 H new ATOM 0 HA VAL A 55 -6.099 -4.593 8.685 1.00 0.00 H new ATOM 0 HB VAL A 55 -4.094 -2.403 8.343 1.00 0.00 H new ATOM 0 HG11 VAL A 55 -4.277 -2.789 5.888 1.00 0.00 H new ATOM 0 HG12 VAL A 55 -3.556 -4.179 6.734 1.00 0.00 H new ATOM 0 HG13 VAL A 55 -5.255 -4.241 6.206 1.00 0.00 H new ATOM 0 HG21 VAL A 55 -5.963 -1.450 6.887 1.00 0.00 H new ATOM 0 HG22 VAL A 55 -6.959 -2.866 7.297 1.00 0.00 H new ATOM 0 HG23 VAL A 55 -6.504 -1.702 8.564 1.00 0.00 H new ATOM 820 N HIS A 56 -3.123 -4.959 9.990 1.00 0.00 N ATOM 821 CA HIS A 56 -2.122 -6.001 10.297 1.00 0.00 C ATOM 822 C HIS A 56 -2.731 -7.239 10.992 1.00 0.00 C ATOM 823 O HIS A 56 -2.530 -8.358 10.527 1.00 0.00 O ATOM 824 CB HIS A 56 -1.003 -5.370 11.138 1.00 0.00 C ATOM 825 CG HIS A 56 0.254 -6.234 11.297 1.00 0.00 C ATOM 826 ND1 HIS A 56 1.095 -6.173 12.326 1.00 0.00 N ATOM 827 CD2 HIS A 56 0.780 -7.062 10.396 1.00 0.00 C ATOM 828 CE1 HIS A 56 2.139 -6.952 12.058 1.00 0.00 C ATOM 829 NE2 HIS A 56 1.944 -7.500 10.863 1.00 0.00 N ATOM 0 H HIS A 56 -2.966 -4.075 10.475 1.00 0.00 H new ATOM 0 HA HIS A 56 -1.714 -6.375 9.358 1.00 0.00 H new ATOM 0 HB2 HIS A 56 -0.718 -4.421 10.683 1.00 0.00 H new ATOM 0 HB3 HIS A 56 -1.397 -5.143 12.129 1.00 0.00 H new ATOM 0 HD2 HIS A 56 0.337 -7.331 9.449 1.00 0.00 H new ATOM 0 HE1 HIS A 56 2.994 -7.111 12.698 1.00 0.00 H new ATOM 0 HE2 HIS A 56 2.577 -8.144 10.388 1.00 0.00 H new ATOM 838 N ARG A 57 -3.603 -6.997 11.973 1.00 0.00 N ATOM 839 CA ARG A 57 -4.208 -8.066 12.802 1.00 0.00 C ATOM 840 C ARG A 57 -5.488 -8.739 12.259 1.00 0.00 C ATOM 841 O ARG A 57 -5.590 -9.963 12.246 1.00 0.00 O ATOM 842 CB ARG A 57 -4.405 -7.555 14.239 1.00 0.00 C ATOM 843 CG ARG A 57 -5.444 -6.432 14.381 1.00 0.00 C ATOM 844 CD ARG A 57 -5.440 -5.788 15.766 1.00 0.00 C ATOM 845 NE ARG A 57 -4.243 -4.940 15.912 1.00 0.00 N ATOM 846 CZ ARG A 57 -3.871 -4.272 17.004 1.00 0.00 C ATOM 847 NH1 ARG A 57 -4.555 -4.325 18.139 1.00 0.00 N ATOM 848 NH2 ARG A 57 -2.757 -3.556 16.986 1.00 0.00 N ATOM 0 H ARG A 57 -3.916 -6.059 12.223 1.00 0.00 H new ATOM 0 HA ARG A 57 -3.485 -8.881 12.771 1.00 0.00 H new ATOM 0 HB2 ARG A 57 -4.705 -8.391 14.870 1.00 0.00 H new ATOM 0 HB3 ARG A 57 -3.448 -7.197 14.618 1.00 0.00 H new ATOM 0 HG2 ARG A 57 -5.249 -5.667 13.630 1.00 0.00 H new ATOM 0 HG3 ARG A 57 -6.436 -6.834 14.176 1.00 0.00 H new ATOM 0 HD2 ARG A 57 -6.341 -5.190 15.903 1.00 0.00 H new ATOM 0 HD3 ARG A 57 -5.449 -6.559 16.537 1.00 0.00 H new ATOM 0 HE ARG A 57 -3.638 -4.856 15.095 1.00 0.00 H new ATOM 0 HH11 ARG A 57 -5.400 -4.893 18.199 1.00 0.00 H new ATOM 0 HH12 ARG A 57 -4.236 -3.798 18.952 1.00 0.00 H new ATOM 0 HH21 ARG A 57 -2.189 -3.518 16.140 1.00 0.00 H new ATOM 0 HH22 ARG A 57 -2.467 -3.043 17.818 1.00 0.00 H new ATOM 862 N GLU A 58 -6.417 -7.929 11.756 1.00 0.00 N ATOM 863 CA GLU A 58 -7.762 -8.354 11.309 1.00 0.00 C ATOM 864 C GLU A 58 -7.854 -8.547 9.781 1.00 0.00 C ATOM 865 O GLU A 58 -8.758 -9.224 9.297 1.00 0.00 O ATOM 866 CB GLU A 58 -8.761 -7.284 11.778 1.00 0.00 C ATOM 867 CG GLU A 58 -10.238 -7.681 11.669 1.00 0.00 C ATOM 868 CD GLU A 58 -10.639 -8.727 12.715 1.00 0.00 C ATOM 869 OE1 GLU A 58 -11.025 -8.291 13.822 1.00 0.00 O ATOM 870 OE2 GLU A 58 -10.608 -9.928 12.373 1.00 0.00 O ATOM 0 H GLU A 58 -6.260 -6.928 11.641 1.00 0.00 H new ATOM 0 HA GLU A 58 -7.988 -9.328 11.744 1.00 0.00 H new ATOM 0 HB2 GLU A 58 -8.543 -7.036 12.817 1.00 0.00 H new ATOM 0 HB3 GLU A 58 -8.600 -6.378 11.194 1.00 0.00 H new ATOM 0 HG2 GLU A 58 -10.860 -6.794 11.789 1.00 0.00 H new ATOM 0 HG3 GLU A 58 -10.433 -8.075 10.672 1.00 0.00 H new ATOM 877 N TYR A 59 -7.038 -7.794 9.047 1.00 0.00 N ATOM 878 CA TYR A 59 -6.971 -7.867 7.573 1.00 0.00 C ATOM 879 C TYR A 59 -5.819 -8.737 7.029 1.00 0.00 C ATOM 880 O TYR A 59 -5.849 -9.144 5.870 1.00 0.00 O ATOM 881 CB TYR A 59 -6.845 -6.454 6.987 1.00 0.00 C ATOM 882 CG TYR A 59 -8.093 -5.557 6.958 1.00 0.00 C ATOM 883 CD1 TYR A 59 -9.050 -5.544 7.970 1.00 0.00 C ATOM 884 CD2 TYR A 59 -8.229 -4.681 5.887 1.00 0.00 C ATOM 885 CE1 TYR A 59 -10.119 -4.660 7.914 1.00 0.00 C ATOM 886 CE2 TYR A 59 -9.299 -3.799 5.823 1.00 0.00 C ATOM 887 CZ TYR A 59 -10.243 -3.786 6.840 1.00 0.00 C ATOM 888 OH TYR A 59 -11.276 -2.907 6.799 1.00 0.00 O ATOM 0 H TYR A 59 -6.398 -7.110 9.451 1.00 0.00 H new ATOM 0 HA TYR A 59 -7.898 -8.348 7.261 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -6.073 -5.929 7.550 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -6.483 -6.551 5.964 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -8.960 -6.225 8.803 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -7.494 -4.687 5.096 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -10.854 -4.651 8.705 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -9.396 -3.125 4.985 1.00 0.00 H new ATOM 0 HH TYR A 59 -10.926 -1.992 6.775 1.00 0.00 H new ATOM 898 N GLN A 60 -4.784 -8.916 7.855 1.00 0.00 N ATOM 899 CA GLN A 60 -3.480 -9.559 7.575 1.00 0.00 C ATOM 900 C GLN A 60 -2.591 -8.815 6.560 1.00 0.00 C ATOM 901 O GLN A 60 -1.497 -8.382 6.913 1.00 0.00 O ATOM 902 CB GLN A 60 -3.638 -11.038 7.191 1.00 0.00 C ATOM 903 CG GLN A 60 -2.757 -11.951 8.052 1.00 0.00 C ATOM 904 CD GLN A 60 -1.256 -11.732 7.830 1.00 0.00 C ATOM 905 OE1 GLN A 60 -0.639 -12.287 6.932 1.00 0.00 O ATOM 906 NE2 GLN A 60 -0.646 -10.888 8.634 1.00 0.00 N ATOM 0 H GLN A 60 -4.833 -8.590 8.820 1.00 0.00 H new ATOM 0 HA GLN A 60 -2.945 -9.499 8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 60 -4.682 -11.332 7.301 1.00 0.00 H new ATOM 0 HB3 GLN A 60 -3.379 -11.170 6.140 1.00 0.00 H new ATOM 0 HG2 GLN A 60 -2.990 -11.782 9.103 1.00 0.00 H new ATOM 0 HG3 GLN A 60 -3.001 -12.991 7.834 1.00 0.00 H new ATOM 0 HE21 GLN A 60 -1.167 -10.428 9.381 1.00 0.00 H new ATOM 0 HE22 GLN A 60 0.348 -10.693 8.510 1.00 0.00 H new ATOM 915 N VAL A 61 -3.197 -8.447 5.432 1.00 0.00 N ATOM 916 CA VAL A 61 -2.588 -7.793 4.248 1.00 0.00 C ATOM 917 C VAL A 61 -2.107 -6.325 4.425 1.00 0.00 C ATOM 918 O VAL A 61 -2.048 -5.549 3.475 1.00 0.00 O ATOM 919 CB VAL A 61 -3.575 -8.029 3.078 1.00 0.00 C ATOM 920 CG1 VAL A 61 -4.878 -7.222 3.182 1.00 0.00 C ATOM 921 CG2 VAL A 61 -2.911 -7.902 1.703 1.00 0.00 C ATOM 0 H VAL A 61 -4.196 -8.604 5.300 1.00 0.00 H new ATOM 0 HA VAL A 61 -1.621 -8.252 4.043 1.00 0.00 H new ATOM 0 HB VAL A 61 -3.880 -9.071 3.180 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -5.513 -7.445 2.325 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -5.400 -7.491 4.100 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -4.646 -6.157 3.195 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -3.652 -8.078 0.923 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -2.496 -6.900 1.590 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -2.111 -8.638 1.616 1.00 0.00 H new ATOM 931 N GLU A 62 -1.664 -6.003 5.638 1.00 0.00 N ATOM 932 CA GLU A 62 -1.109 -4.718 6.136 1.00 0.00 C ATOM 933 C GLU A 62 -0.767 -3.586 5.130 1.00 0.00 C ATOM 934 O GLU A 62 0.391 -3.224 4.925 1.00 0.00 O ATOM 935 CB GLU A 62 0.070 -5.050 7.072 1.00 0.00 C ATOM 936 CG GLU A 62 1.196 -5.846 6.389 1.00 0.00 C ATOM 937 CD GLU A 62 2.336 -6.220 7.337 1.00 0.00 C ATOM 938 OE1 GLU A 62 3.002 -5.282 7.834 1.00 0.00 O ATOM 939 OE2 GLU A 62 2.563 -7.439 7.485 1.00 0.00 O ATOM 0 H GLU A 62 -1.681 -6.698 6.384 1.00 0.00 H new ATOM 0 HA GLU A 62 -1.943 -4.239 6.649 1.00 0.00 H new ATOM 0 HB2 GLU A 62 0.482 -4.121 7.467 1.00 0.00 H new ATOM 0 HB3 GLU A 62 -0.302 -5.621 7.923 1.00 0.00 H new ATOM 0 HG2 GLU A 62 0.778 -6.756 5.958 1.00 0.00 H new ATOM 0 HG3 GLU A 62 1.598 -5.258 5.564 1.00 0.00 H new ATOM 946 N LEU A 63 -1.812 -2.931 4.618 1.00 0.00 N ATOM 947 CA LEU A 63 -1.644 -1.810 3.667 1.00 0.00 C ATOM 948 C LEU A 63 -2.272 -0.465 4.107 1.00 0.00 C ATOM 949 O LEU A 63 -3.391 -0.123 3.707 1.00 0.00 O ATOM 950 CB LEU A 63 -2.022 -2.233 2.229 1.00 0.00 C ATOM 951 CG LEU A 63 -3.505 -2.399 1.850 1.00 0.00 C ATOM 952 CD1 LEU A 63 -3.614 -2.677 0.350 1.00 0.00 C ATOM 953 CD2 LEU A 63 -4.224 -3.512 2.615 1.00 0.00 C ATOM 0 H LEU A 63 -2.783 -3.150 4.840 1.00 0.00 H new ATOM 0 HA LEU A 63 -0.578 -1.583 3.672 1.00 0.00 H new ATOM 0 HB2 LEU A 63 -1.592 -1.498 1.549 1.00 0.00 H new ATOM 0 HB3 LEU A 63 -1.526 -3.182 2.027 1.00 0.00 H new ATOM 0 HG LEU A 63 -3.997 -1.465 2.123 1.00 0.00 H new ATOM 0 HD11 LEU A 63 -4.663 -2.795 0.077 1.00 0.00 H new ATOM 0 HD12 LEU A 63 -3.186 -1.843 -0.207 1.00 0.00 H new ATOM 0 HD13 LEU A 63 -3.071 -3.591 0.109 1.00 0.00 H new ATOM 0 HD21 LEU A 63 -5.263 -3.564 2.290 1.00 0.00 H new ATOM 0 HD22 LEU A 63 -3.734 -4.465 2.417 1.00 0.00 H new ATOM 0 HD23 LEU A 63 -4.188 -3.301 3.684 1.00 0.00 H new ATOM 965 N PRO A 64 -1.539 0.332 4.904 1.00 0.00 N ATOM 966 CA PRO A 64 -1.976 1.686 5.301 1.00 0.00 C ATOM 967 C PRO A 64 -2.049 2.621 4.087 1.00 0.00 C ATOM 968 O PRO A 64 -1.358 2.414 3.089 1.00 0.00 O ATOM 969 CB PRO A 64 -0.941 2.158 6.324 1.00 0.00 C ATOM 970 CG PRO A 64 0.325 1.397 5.932 1.00 0.00 C ATOM 971 CD PRO A 64 -0.206 0.040 5.468 1.00 0.00 C ATOM 0 HA PRO A 64 -2.980 1.685 5.726 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -0.792 3.237 6.275 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -1.249 1.925 7.343 1.00 0.00 H new ATOM 0 HG2 PRO A 64 0.871 1.907 5.139 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.009 1.294 6.774 1.00 0.00 H new ATOM 0 HD2 PRO A 64 0.450 -0.408 4.722 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -0.273 -0.664 6.298 1.00 0.00 H new ATOM 979 N LEU A 65 -2.964 3.585 4.182 1.00 0.00 N ATOM 980 CA LEU A 65 -3.312 4.591 3.149 1.00 0.00 C ATOM 981 C LEU A 65 -3.960 4.008 1.877 1.00 0.00 C ATOM 982 O LEU A 65 -5.089 4.375 1.556 1.00 0.00 O ATOM 983 CB LEU A 65 -2.104 5.471 2.788 1.00 0.00 C ATOM 984 CG LEU A 65 -2.510 6.819 2.182 1.00 0.00 C ATOM 985 CD1 LEU A 65 -2.954 7.795 3.274 1.00 0.00 C ATOM 986 CD2 LEU A 65 -1.359 7.401 1.361 1.00 0.00 C ATOM 0 H LEU A 65 -3.522 3.701 5.028 1.00 0.00 H new ATOM 0 HA LEU A 65 -4.079 5.210 3.614 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -1.507 5.645 3.683 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -1.469 4.937 2.081 1.00 0.00 H new ATOM 0 HG LEU A 65 -3.357 6.657 1.516 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.237 8.745 2.820 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -3.808 7.379 3.808 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -2.133 7.957 3.973 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -1.662 8.358 0.937 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -0.491 7.548 2.004 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -1.102 6.713 0.556 1.00 0.00 H new ATOM 998 N LYS A 66 -3.349 2.974 1.294 1.00 0.00 N ATOM 999 CA LYS A 66 -3.853 2.277 0.091 1.00 0.00 C ATOM 1000 C LYS A 66 -5.305 1.797 0.239 1.00 0.00 C ATOM 1001 O LYS A 66 -6.199 2.365 -0.384 1.00 0.00 O ATOM 1002 CB LYS A 66 -2.969 1.082 -0.283 1.00 0.00 C ATOM 1003 CG LYS A 66 -1.631 1.485 -0.902 1.00 0.00 C ATOM 1004 CD LYS A 66 -0.960 0.242 -1.488 1.00 0.00 C ATOM 1005 CE LYS A 66 0.323 0.597 -2.237 1.00 0.00 C ATOM 1006 NZ LYS A 66 0.859 -0.585 -2.930 1.00 0.00 N ATOM 0 H LYS A 66 -2.474 2.585 1.645 1.00 0.00 H new ATOM 0 HA LYS A 66 -3.820 3.020 -0.706 1.00 0.00 H new ATOM 0 HB2 LYS A 66 -2.782 0.485 0.609 1.00 0.00 H new ATOM 0 HB3 LYS A 66 -3.509 0.446 -0.985 1.00 0.00 H new ATOM 0 HG2 LYS A 66 -1.786 2.232 -1.681 1.00 0.00 H new ATOM 0 HG3 LYS A 66 -0.989 1.940 -0.148 1.00 0.00 H new ATOM 0 HD2 LYS A 66 -0.732 -0.461 -0.687 1.00 0.00 H new ATOM 0 HD3 LYS A 66 -1.651 -0.260 -2.166 1.00 0.00 H new ATOM 0 HE2 LYS A 66 0.123 1.389 -2.958 1.00 0.00 H new ATOM 0 HE3 LYS A 66 1.064 0.983 -1.538 1.00 0.00 H new ATOM 0 HZ1 LYS A 66 1.731 -0.326 -3.434 1.00 0.00 H new ATOM 0 HZ2 LYS A 66 1.069 -1.329 -2.235 1.00 0.00 H new ATOM 0 HZ3 LYS A 66 0.156 -0.936 -3.612 1.00 0.00 H new ATOM 1020 N VAL A 67 -5.544 0.957 1.247 1.00 0.00 N ATOM 1021 CA VAL A 67 -6.889 0.430 1.560 1.00 0.00 C ATOM 1022 C VAL A 67 -7.915 1.509 1.987 1.00 0.00 C ATOM 1023 O VAL A 67 -9.115 1.327 1.811 1.00 0.00 O ATOM 1024 CB VAL A 67 -6.717 -0.741 2.548 1.00 0.00 C ATOM 1025 CG1 VAL A 67 -6.705 -0.361 4.037 1.00 0.00 C ATOM 1026 CG2 VAL A 67 -7.675 -1.883 2.216 1.00 0.00 C ATOM 0 H VAL A 67 -4.815 0.618 1.875 1.00 0.00 H new ATOM 0 HA VAL A 67 -7.353 0.051 0.650 1.00 0.00 H new ATOM 0 HB VAL A 67 -5.700 -1.101 2.394 1.00 0.00 H new ATOM 0 HG11 VAL A 67 -6.579 -1.260 4.641 1.00 0.00 H new ATOM 0 HG12 VAL A 67 -5.881 0.325 4.231 1.00 0.00 H new ATOM 0 HG13 VAL A 67 -7.647 0.121 4.297 1.00 0.00 H new ATOM 0 HG21 VAL A 67 -7.533 -2.696 2.928 1.00 0.00 H new ATOM 0 HG22 VAL A 67 -8.703 -1.525 2.275 1.00 0.00 H new ATOM 0 HG23 VAL A 67 -7.474 -2.245 1.208 1.00 0.00 H new ATOM 1036 N LEU A 68 -7.398 2.684 2.340 1.00 0.00 N ATOM 1037 CA LEU A 68 -8.145 3.833 2.894 1.00 0.00 C ATOM 1038 C LEU A 68 -8.542 4.926 1.884 1.00 0.00 C ATOM 1039 O LEU A 68 -9.332 5.801 2.228 1.00 0.00 O ATOM 1040 CB LEU A 68 -7.291 4.480 3.986 1.00 0.00 C ATOM 1041 CG LEU A 68 -7.155 3.597 5.224 1.00 0.00 C ATOM 1042 CD1 LEU A 68 -5.970 4.084 6.060 1.00 0.00 C ATOM 1043 CD2 LEU A 68 -8.454 3.636 6.037 1.00 0.00 C ATOM 0 H LEU A 68 -6.401 2.880 2.247 1.00 0.00 H new ATOM 0 HA LEU A 68 -9.084 3.419 3.263 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -6.300 4.696 3.587 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -7.734 5.434 4.271 1.00 0.00 H new ATOM 0 HG LEU A 68 -6.974 2.564 4.926 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -5.868 3.457 6.946 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -5.058 4.025 5.467 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -6.139 5.117 6.364 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -8.350 3.004 6.919 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -8.659 4.661 6.347 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -9.278 3.271 5.424 1.00 0.00 H new ATOM 1055 N PHE A 69 -7.773 5.016 0.800 1.00 0.00 N ATOM 1056 CA PHE A 69 -8.059 5.954 -0.304 1.00 0.00 C ATOM 1057 C PHE A 69 -8.382 5.292 -1.652 1.00 0.00 C ATOM 1058 O PHE A 69 -9.285 5.746 -2.349 1.00 0.00 O ATOM 1059 CB PHE A 69 -6.906 6.958 -0.434 1.00 0.00 C ATOM 1060 CG PHE A 69 -6.928 7.981 0.709 1.00 0.00 C ATOM 1061 CD1 PHE A 69 -6.353 7.686 1.940 1.00 0.00 C ATOM 1062 CD2 PHE A 69 -7.596 9.187 0.532 1.00 0.00 C ATOM 1063 CE1 PHE A 69 -6.450 8.592 2.991 1.00 0.00 C ATOM 1064 CE2 PHE A 69 -7.688 10.095 1.580 1.00 0.00 C ATOM 1065 CZ PHE A 69 -7.117 9.798 2.812 1.00 0.00 C ATOM 0 H PHE A 69 -6.938 4.449 0.655 1.00 0.00 H new ATOM 0 HA PHE A 69 -8.980 6.470 -0.035 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -5.955 6.426 -0.430 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -6.978 7.476 -1.390 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -5.830 6.752 2.080 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -8.045 9.419 -0.423 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -6.006 8.358 3.947 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -8.204 11.033 1.437 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.191 10.502 3.627 1.00 0.00 H new ATOM 1075 N ALA A 70 -7.696 4.194 -1.974 1.00 0.00 N ATOM 1076 CA ALA A 70 -7.967 3.400 -3.194 1.00 0.00 C ATOM 1077 C ALA A 70 -9.246 2.550 -3.075 1.00 0.00 C ATOM 1078 O ALA A 70 -10.103 2.598 -3.953 1.00 0.00 O ATOM 1079 CB ALA A 70 -6.758 2.523 -3.537 1.00 0.00 C ATOM 0 H ALA A 70 -6.936 3.823 -1.403 1.00 0.00 H new ATOM 0 HA ALA A 70 -8.137 4.106 -4.007 1.00 0.00 H new ATOM 0 HB1 ALA A 70 -6.971 1.945 -4.436 1.00 0.00 H new ATOM 0 HB2 ALA A 70 -5.887 3.155 -3.710 1.00 0.00 H new ATOM 0 HB3 ALA A 70 -6.554 1.844 -2.709 1.00 0.00 H new ATOM 1085 N GLN A 71 -9.368 1.804 -1.974 1.00 0.00 N ATOM 1086 CA GLN A 71 -10.595 1.033 -1.671 1.00 0.00 C ATOM 1087 C GLN A 71 -11.219 1.230 -0.263 1.00 0.00 C ATOM 1088 O GLN A 71 -11.653 0.254 0.356 1.00 0.00 O ATOM 1089 CB GLN A 71 -10.418 -0.448 -2.046 1.00 0.00 C ATOM 1090 CG GLN A 71 -9.249 -1.182 -1.379 1.00 0.00 C ATOM 1091 CD GLN A 71 -7.928 -1.030 -2.142 1.00 0.00 C ATOM 1092 OE1 GLN A 71 -7.859 -0.785 -3.339 1.00 0.00 O ATOM 1093 NE2 GLN A 71 -6.837 -1.313 -1.471 1.00 0.00 N ATOM 0 H GLN A 71 -8.635 1.712 -1.271 1.00 0.00 H new ATOM 0 HA GLN A 71 -11.356 1.475 -2.314 1.00 0.00 H new ATOM 0 HB2 GLN A 71 -11.339 -0.976 -1.799 1.00 0.00 H new ATOM 0 HB3 GLN A 71 -10.292 -0.515 -3.127 1.00 0.00 H new ATOM 0 HG2 GLN A 71 -9.121 -0.803 -0.365 1.00 0.00 H new ATOM 0 HG3 GLN A 71 -9.493 -2.241 -1.295 1.00 0.00 H new ATOM 0 HE21 GLN A 71 -6.891 -1.518 -0.473 1.00 0.00 H new ATOM 0 HE22 GLN A 71 -5.935 -1.328 -1.947 1.00 0.00 H new ATOM 1102 N PRO A 72 -11.482 2.484 0.151 1.00 0.00 N ATOM 1103 CA PRO A 72 -11.957 2.818 1.512 1.00 0.00 C ATOM 1104 C PRO A 72 -13.337 2.264 1.905 1.00 0.00 C ATOM 1105 O PRO A 72 -13.685 2.251 3.086 1.00 0.00 O ATOM 1106 CB PRO A 72 -11.972 4.342 1.557 1.00 0.00 C ATOM 1107 CG PRO A 72 -12.262 4.738 0.114 1.00 0.00 C ATOM 1108 CD PRO A 72 -11.515 3.688 -0.704 1.00 0.00 C ATOM 0 HA PRO A 72 -11.290 2.347 2.234 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -12.737 4.716 2.237 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -11.018 4.743 1.899 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -13.331 4.725 -0.098 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -11.906 5.745 -0.105 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -12.024 3.488 -1.647 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -10.508 4.024 -0.951 1.00 0.00 H new ATOM 1116 N THR A 73 -14.163 1.979 0.901 1.00 0.00 N ATOM 1117 CA THR A 73 -15.532 1.462 1.098 1.00 0.00 C ATOM 1118 C THR A 73 -15.481 0.041 1.672 1.00 0.00 C ATOM 1119 O THR A 73 -14.777 -0.826 1.157 1.00 0.00 O ATOM 1120 CB THR A 73 -16.338 1.467 -0.211 1.00 0.00 C ATOM 1121 OG1 THR A 73 -15.656 0.732 -1.233 1.00 0.00 O ATOM 1122 CG2 THR A 73 -16.648 2.894 -0.674 1.00 0.00 C ATOM 0 H THR A 73 -13.909 2.098 -0.080 1.00 0.00 H new ATOM 0 HA THR A 73 -16.035 2.124 1.803 1.00 0.00 H new ATOM 0 HB THR A 73 -17.289 0.973 -0.015 1.00 0.00 H new ATOM 0 HG1 THR A 73 -16.187 0.747 -2.056 1.00 0.00 H new ATOM 0 HG21 THR A 73 -17.219 2.860 -1.602 1.00 0.00 H new ATOM 0 HG22 THR A 73 -17.231 3.406 0.092 1.00 0.00 H new ATOM 0 HG23 THR A 73 -15.715 3.433 -0.841 1.00 0.00 H new ATOM 1130 N ILE A 74 -16.279 -0.190 2.709 1.00 0.00 N ATOM 1131 CA ILE A 74 -16.325 -1.505 3.385 1.00 0.00 C ATOM 1132 C ILE A 74 -16.772 -2.686 2.490 1.00 0.00 C ATOM 1133 O ILE A 74 -16.448 -3.837 2.772 1.00 0.00 O ATOM 1134 CB ILE A 74 -16.982 -1.365 4.776 1.00 0.00 C ATOM 1135 CG1 ILE A 74 -16.152 -2.032 5.882 1.00 0.00 C ATOM 1136 CG2 ILE A 74 -18.461 -1.747 4.850 1.00 0.00 C ATOM 1137 CD1 ILE A 74 -15.838 -3.531 5.747 1.00 0.00 C ATOM 0 H ILE A 74 -16.907 0.508 3.108 1.00 0.00 H new ATOM 0 HA ILE A 74 -15.304 -1.829 3.586 1.00 0.00 H new ATOM 0 HB ILE A 74 -16.980 -0.290 4.959 1.00 0.00 H new ATOM 0 HG12 ILE A 74 -15.205 -1.498 5.956 1.00 0.00 H new ATOM 0 HG13 ILE A 74 -16.675 -1.885 6.827 1.00 0.00 H new ATOM 0 HG21 ILE A 74 -18.821 -1.612 5.870 1.00 0.00 H new ATOM 0 HG22 ILE A 74 -19.035 -1.112 4.175 1.00 0.00 H new ATOM 0 HG23 ILE A 74 -18.582 -2.790 4.558 1.00 0.00 H new ATOM 0 HD11 ILE A 74 -15.246 -3.857 6.602 1.00 0.00 H new ATOM 0 HD12 ILE A 74 -16.769 -4.096 5.714 1.00 0.00 H new ATOM 0 HD13 ILE A 74 -15.276 -3.704 4.829 1.00 0.00 H new ATOM 1149 N LYS A 75 -17.433 -2.375 1.375 1.00 0.00 N ATOM 1150 CA LYS A 75 -17.671 -3.325 0.265 1.00 0.00 C ATOM 1151 C LYS A 75 -16.322 -3.870 -0.253 1.00 0.00 C ATOM 1152 O LYS A 75 -15.929 -4.980 0.101 1.00 0.00 O ATOM 1153 CB LYS A 75 -18.444 -2.585 -0.837 1.00 0.00 C ATOM 1154 CG LYS A 75 -18.879 -3.449 -2.027 1.00 0.00 C ATOM 1155 CD LYS A 75 -19.960 -4.467 -1.659 1.00 0.00 C ATOM 1156 CE LYS A 75 -20.420 -5.214 -2.912 1.00 0.00 C ATOM 1157 NZ LYS A 75 -21.481 -6.180 -2.602 1.00 0.00 N ATOM 0 H LYS A 75 -17.826 -1.449 1.206 1.00 0.00 H new ATOM 0 HA LYS A 75 -18.259 -4.179 0.601 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -19.331 -2.133 -0.394 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -17.823 -1.770 -1.209 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -19.251 -2.803 -2.822 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -18.011 -3.975 -2.424 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -19.572 -5.174 -0.926 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -20.807 -3.960 -1.196 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -20.782 -4.499 -3.651 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -19.572 -5.734 -3.359 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -21.770 -6.669 -3.473 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -21.127 -6.876 -1.915 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -22.299 -5.680 -2.198 1.00 0.00 H new ATOM 1171 N ALA A 76 -15.515 -2.956 -0.793 1.00 0.00 N ATOM 1172 CA ALA A 76 -14.167 -3.250 -1.311 1.00 0.00 C ATOM 1173 C ALA A 76 -13.193 -3.749 -0.228 1.00 0.00 C ATOM 1174 O ALA A 76 -12.480 -4.720 -0.464 1.00 0.00 O ATOM 1175 CB ALA A 76 -13.626 -2.001 -2.004 1.00 0.00 C ATOM 0 H ALA A 76 -15.778 -1.975 -0.887 1.00 0.00 H new ATOM 0 HA ALA A 76 -14.252 -4.071 -2.023 1.00 0.00 H new ATOM 0 HB1 ALA A 76 -12.628 -2.204 -2.393 1.00 0.00 H new ATOM 0 HB2 ALA A 76 -14.287 -1.726 -2.826 1.00 0.00 H new ATOM 0 HB3 ALA A 76 -13.577 -1.180 -1.288 1.00 0.00 H new ATOM 1181 N LEU A 77 -13.281 -3.187 0.980 1.00 0.00 N ATOM 1182 CA LEU A 77 -12.542 -3.688 2.162 1.00 0.00 C ATOM 1183 C LEU A 77 -12.839 -5.177 2.438 1.00 0.00 C ATOM 1184 O LEU A 77 -11.919 -5.991 2.479 1.00 0.00 O ATOM 1185 CB LEU A 77 -12.854 -2.863 3.421 1.00 0.00 C ATOM 1186 CG LEU A 77 -12.487 -1.371 3.349 1.00 0.00 C ATOM 1187 CD1 LEU A 77 -12.958 -0.653 4.613 1.00 0.00 C ATOM 1188 CD2 LEU A 77 -10.982 -1.159 3.226 1.00 0.00 C ATOM 0 H LEU A 77 -13.863 -2.373 1.176 1.00 0.00 H new ATOM 0 HA LEU A 77 -11.483 -3.581 1.925 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -13.920 -2.946 3.632 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -12.326 -3.308 4.265 1.00 0.00 H new ATOM 0 HG LEU A 77 -12.978 -0.968 2.463 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -12.693 0.403 4.552 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -14.040 -0.751 4.706 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -12.478 -1.098 5.484 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -10.768 -0.091 3.178 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -10.482 -1.591 4.093 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -10.619 -1.643 2.319 1.00 0.00 H new ATOM 1200 N ALA A 78 -14.124 -5.542 2.411 1.00 0.00 N ATOM 1201 CA ALA A 78 -14.575 -6.946 2.530 1.00 0.00 C ATOM 1202 C ALA A 78 -14.081 -7.837 1.376 1.00 0.00 C ATOM 1203 O ALA A 78 -13.668 -8.962 1.635 1.00 0.00 O ATOM 1204 CB ALA A 78 -16.099 -7.031 2.629 1.00 0.00 C ATOM 0 H ALA A 78 -14.889 -4.876 2.306 1.00 0.00 H new ATOM 0 HA ALA A 78 -14.129 -7.324 3.450 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -16.400 -8.075 2.715 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -16.438 -6.482 3.507 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -16.546 -6.597 1.735 1.00 0.00 H new ATOM 1210 N GLN A 79 -14.083 -7.326 0.146 1.00 0.00 N ATOM 1211 CA GLN A 79 -13.474 -8.024 -1.011 1.00 0.00 C ATOM 1212 C GLN A 79 -11.958 -8.255 -0.867 1.00 0.00 C ATOM 1213 O GLN A 79 -11.470 -9.363 -1.072 1.00 0.00 O ATOM 1214 CB GLN A 79 -13.788 -7.287 -2.318 1.00 0.00 C ATOM 1215 CG GLN A 79 -15.145 -7.679 -2.916 1.00 0.00 C ATOM 1216 CD GLN A 79 -16.349 -7.301 -2.049 1.00 0.00 C ATOM 1217 OE1 GLN A 79 -16.943 -6.239 -2.169 1.00 0.00 O ATOM 1218 NE2 GLN A 79 -16.743 -8.190 -1.163 1.00 0.00 N ATOM 0 H GLN A 79 -14.500 -6.425 -0.087 1.00 0.00 H new ATOM 0 HA GLN A 79 -13.929 -9.014 -1.038 1.00 0.00 H new ATOM 0 HB2 GLN A 79 -13.775 -6.213 -2.135 1.00 0.00 H new ATOM 0 HB3 GLN A 79 -13.003 -7.497 -3.044 1.00 0.00 H new ATOM 0 HG2 GLN A 79 -15.250 -7.203 -3.891 1.00 0.00 H new ATOM 0 HG3 GLN A 79 -15.157 -8.756 -3.084 1.00 0.00 H new ATOM 0 HE21 GLN A 79 -16.242 -9.073 -1.069 1.00 0.00 H new ATOM 0 HE22 GLN A 79 -17.550 -7.996 -0.570 1.00 0.00 H new ATOM 1227 N TYR A 80 -11.258 -7.226 -0.396 1.00 0.00 N ATOM 1228 CA TYR A 80 -9.820 -7.286 -0.066 1.00 0.00 C ATOM 1229 C TYR A 80 -9.437 -8.232 1.087 1.00 0.00 C ATOM 1230 O TYR A 80 -8.284 -8.648 1.182 1.00 0.00 O ATOM 1231 CB TYR A 80 -9.288 -5.873 0.180 1.00 0.00 C ATOM 1232 CG TYR A 80 -8.726 -5.269 -1.111 1.00 0.00 C ATOM 1233 CD1 TYR A 80 -9.563 -4.703 -2.067 1.00 0.00 C ATOM 1234 CD2 TYR A 80 -7.352 -5.279 -1.318 1.00 0.00 C ATOM 1235 CE1 TYR A 80 -9.026 -4.113 -3.204 1.00 0.00 C ATOM 1236 CE2 TYR A 80 -6.813 -4.694 -2.454 1.00 0.00 C ATOM 1237 CZ TYR A 80 -7.649 -4.086 -3.382 1.00 0.00 C ATOM 1238 OH TYR A 80 -7.103 -3.322 -4.360 1.00 0.00 O ATOM 0 H TYR A 80 -11.672 -6.309 -0.227 1.00 0.00 H new ATOM 0 HA TYR A 80 -9.340 -7.731 -0.938 1.00 0.00 H new ATOM 0 HB2 TYR A 80 -10.088 -5.240 0.564 1.00 0.00 H new ATOM 0 HB3 TYR A 80 -8.510 -5.901 0.942 1.00 0.00 H new ATOM 0 HD1 TYR A 80 -10.633 -4.722 -1.925 1.00 0.00 H new ATOM 0 HD2 TYR A 80 -6.702 -5.744 -0.592 1.00 0.00 H new ATOM 0 HE1 TYR A 80 -9.677 -3.677 -3.947 1.00 0.00 H new ATOM 0 HE2 TYR A 80 -5.745 -4.711 -2.617 1.00 0.00 H new ATOM 0 HH TYR A 80 -7.313 -2.379 -4.194 1.00 0.00 H new ATOM 1248 N VAL A 81 -10.377 -8.495 1.996 1.00 0.00 N ATOM 1249 CA VAL A 81 -10.128 -9.435 3.114 1.00 0.00 C ATOM 1250 C VAL A 81 -10.960 -10.727 3.133 1.00 0.00 C ATOM 1251 O VAL A 81 -10.430 -11.787 2.814 1.00 0.00 O ATOM 1252 CB VAL A 81 -10.049 -8.752 4.489 1.00 0.00 C ATOM 1253 CG1 VAL A 81 -8.823 -7.847 4.487 1.00 0.00 C ATOM 1254 CG2 VAL A 81 -11.295 -7.957 4.898 1.00 0.00 C ATOM 0 H VAL A 81 -11.309 -8.081 1.990 1.00 0.00 H new ATOM 0 HA VAL A 81 -9.126 -9.797 2.882 1.00 0.00 H new ATOM 0 HB VAL A 81 -9.979 -9.544 5.235 1.00 0.00 H new ATOM 0 HG11 VAL A 81 -8.739 -7.346 5.452 1.00 0.00 H new ATOM 0 HG12 VAL A 81 -7.929 -8.445 4.309 1.00 0.00 H new ATOM 0 HG13 VAL A 81 -8.923 -7.101 3.699 1.00 0.00 H new ATOM 0 HG21 VAL A 81 -11.138 -7.515 5.882 1.00 0.00 H new ATOM 0 HG22 VAL A 81 -11.477 -7.166 4.170 1.00 0.00 H new ATOM 0 HG23 VAL A 81 -12.157 -8.624 4.933 1.00 0.00 H new ATOM 1264 N ALA A 82 -12.272 -10.604 3.312 1.00 0.00 N ATOM 1265 CA ALA A 82 -13.217 -11.741 3.356 1.00 0.00 C ATOM 1266 C ALA A 82 -13.568 -12.243 1.936 1.00 0.00 C ATOM 1267 O ALA A 82 -14.711 -12.225 1.474 1.00 0.00 O ATOM 1268 CB ALA A 82 -14.449 -11.305 4.160 1.00 0.00 C ATOM 0 H ALA A 82 -12.727 -9.699 3.434 1.00 0.00 H new ATOM 0 HA ALA A 82 -12.758 -12.595 3.853 1.00 0.00 H new ATOM 0 HB1 ALA A 82 -15.163 -12.128 4.207 1.00 0.00 H new ATOM 0 HB2 ALA A 82 -14.146 -11.030 5.170 1.00 0.00 H new ATOM 0 HB3 ALA A 82 -14.915 -10.448 3.675 1.00 0.00 H new ATOM 1274 N THR A 83 -12.501 -12.620 1.237 1.00 0.00 N ATOM 1275 CA THR A 83 -12.457 -13.118 -0.159 1.00 0.00 C ATOM 1276 C THR A 83 -11.076 -13.762 -0.409 1.00 0.00 C ATOM 1277 O THR A 83 -11.020 -14.965 -0.651 1.00 0.00 O ATOM 1278 CB THR A 83 -12.775 -12.017 -1.196 1.00 0.00 C ATOM 1279 OG1 THR A 83 -14.084 -11.482 -0.963 1.00 0.00 O ATOM 1280 CG2 THR A 83 -12.708 -12.511 -2.647 1.00 0.00 C ATOM 0 H THR A 83 -11.569 -12.588 1.651 1.00 0.00 H new ATOM 0 HA THR A 83 -13.239 -13.867 -0.288 1.00 0.00 H new ATOM 0 HB THR A 83 -12.008 -11.253 -1.066 1.00 0.00 H new ATOM 0 HG1 THR A 83 -14.535 -12.010 -0.271 1.00 0.00 H new ATOM 0 HG21 THR A 83 -12.942 -11.688 -3.323 1.00 0.00 H new ATOM 0 HG22 THR A 83 -11.705 -12.881 -2.859 1.00 0.00 H new ATOM 0 HG23 THR A 83 -13.430 -13.315 -2.791 1.00 0.00 H new ATOM 1288 N ARG A 84 -9.991 -12.983 -0.326 1.00 0.00 N ATOM 1289 CA ARG A 84 -8.622 -13.540 -0.464 1.00 0.00 C ATOM 1290 C ARG A 84 -7.769 -13.624 0.823 1.00 0.00 C ATOM 1291 O ARG A 84 -6.925 -14.507 0.950 1.00 0.00 O ATOM 1292 CB ARG A 84 -7.825 -12.876 -1.604 1.00 0.00 C ATOM 1293 CG ARG A 84 -7.335 -11.441 -1.362 1.00 0.00 C ATOM 1294 CD ARG A 84 -8.436 -10.379 -1.454 1.00 0.00 C ATOM 1295 NE ARG A 84 -8.879 -10.134 -2.839 1.00 0.00 N ATOM 1296 CZ ARG A 84 -8.213 -9.466 -3.787 1.00 0.00 C ATOM 1297 NH1 ARG A 84 -7.135 -8.740 -3.519 1.00 0.00 N ATOM 1298 NH2 ARG A 84 -8.719 -9.383 -5.008 1.00 0.00 N ATOM 0 H ARG A 84 -10.023 -11.976 -0.166 1.00 0.00 H new ATOM 0 HA ARG A 84 -8.825 -14.580 -0.721 1.00 0.00 H new ATOM 0 HB2 ARG A 84 -6.957 -13.499 -1.820 1.00 0.00 H new ATOM 0 HB3 ARG A 84 -8.448 -12.876 -2.499 1.00 0.00 H new ATOM 0 HG2 ARG A 84 -6.875 -11.387 -0.375 1.00 0.00 H new ATOM 0 HG3 ARG A 84 -6.558 -11.207 -2.089 1.00 0.00 H new ATOM 0 HD2 ARG A 84 -9.290 -10.695 -0.855 1.00 0.00 H new ATOM 0 HD3 ARG A 84 -8.072 -9.446 -1.023 1.00 0.00 H new ATOM 0 HE ARG A 84 -9.789 -10.514 -3.101 1.00 0.00 H new ATOM 0 HH11 ARG A 84 -6.787 -8.677 -2.562 1.00 0.00 H new ATOM 0 HH12 ARG A 84 -6.654 -8.245 -4.270 1.00 0.00 H new ATOM 0 HH21 ARG A 84 -9.612 -9.827 -5.221 1.00 0.00 H new ATOM 0 HH22 ARG A 84 -8.216 -8.875 -5.735 1.00 0.00 H new ATOM 1312 N SER A 85 -7.985 -12.696 1.759 1.00 0.00 N ATOM 1313 CA SER A 85 -7.321 -12.636 3.090 1.00 0.00 C ATOM 1314 C SER A 85 -5.777 -12.590 3.050 1.00 0.00 C ATOM 1315 O SER A 85 -5.129 -13.059 4.018 1.00 0.00 O ATOM 1316 CB SER A 85 -7.856 -13.775 3.976 1.00 0.00 C ATOM 1317 OG SER A 85 -7.460 -13.600 5.340 1.00 0.00 O ATOM 1318 OXT SER A 85 -5.261 -11.967 2.095 1.00 99.99 O ATOM 0 H SER A 85 -8.648 -11.933 1.619 1.00 0.00 H new ATOM 0 HA SER A 85 -7.584 -11.675 3.531 1.00 0.00 H new ATOM 0 HB2 SER A 85 -8.944 -13.809 3.912 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.485 -14.731 3.607 1.00 0.00 H new ATOM 0 HG SER A 85 -6.509 -13.367 5.377 1.00 0.00 H new TER 1324 SER A 85