USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 863 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 93 LYS NZ :NH3+ -165:sc= 0.12 (180deg=0) USER MOD Set 1.2: A 108 THR OG1 : rot 118:sc= 0.12 USER MOD Set 2.1: A 78 SER OG : rot 180:sc= 0.00382 USER MOD Set 2.2: A 105 LYS NZ :NH3+ -160:sc= 0.00766 (180deg=0) USER MOD Set 3.1: A 10 SER OG : rot 13:sc= -0.249! USER MOD Set 3.2: A 71 ASN : amide:sc= -0.928 K(o=-1.2,f=-3.8!) USER MOD Set 4.1: A 6 MET CE :methyl 174:sc=-0.000657 (180deg=0) USER MOD Set 4.2: A 20 CYS SG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 156:sc= 0.148 (180deg=0.052) USER MOD Single : A 2 THR OG1 : rot 180:sc= 0 USER MOD Single : A 4 CYS SG : rot -18:sc= 0.168 USER MOD Single : A 7 TYR OH : rot 144:sc= 0.496 USER MOD Single : A 8 ASN : amide:sc= 0 X(o=0,f=-0.013) USER MOD Single : A 11 MET CE :methyl -179:sc= -1.5 (180deg=-1.52) USER MOD Single : A 14 SER OG : rot 180:sc= -0.0383 USER MOD Single : A 15 HIS : no HD1:sc= -0.132 X(o=-0.13,f=-0.00018) USER MOD Single : A 17 THR OG1 : rot 180:sc= 0 USER MOD Single : A 18 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 MET CE :methyl -166:sc= -1.46! (180deg=-1.57!) USER MOD Single : A 29 SER OG : rot -48:sc= 1.87 USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 34 TYR OH : rot 180:sc= -0.7 USER MOD Single : A 40 ASN : amide:sc= -0.202 K(o=-0.2,f=-1.1) USER MOD Single : A 42 THR OG1 : rot 180:sc= 0 USER MOD Single : A 45 MET CE :methyl 147:sc= -0.323 (180deg=-2.23) USER MOD Single : A 46 MET CE :methyl -169:sc=-0.00122 (180deg=-0.151) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 55 THR OG1 : rot 59:sc= 0.509 USER MOD Single : A 59 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 THR OG1 : rot 180:sc= 0.0251 USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 77 MET CE :methyl -162:sc= 0 (180deg=-0.587) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 82 SER OG : rot 180:sc= 0 USER MOD Single : A 87 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 MET CE :methyl -109:sc= -0.107 (180deg=-1.48) USER MOD Single : A 89 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 LYS NZ :NH3+ -171:sc= 0 (180deg=-0.0229) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 98 LYS NZ :NH3+ 162:sc=-0.00746 (180deg=-0.117) USER MOD Single : A 100 LYS NZ :NH3+ 140:sc= -0.725 (180deg=-3.18!) USER MOD Single : A 101 ASN : amide:sc= -0.0384 K(o=-0.038,f=-1.2!) USER MOD Single : A 102 LYS NZ :NH3+ -153:sc=-0.00701 (180deg=-0.584) USER MOD Single : A 110 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 2.826 -0.933 -1.058 1.00 0.00 N ATOM 2 CA MET A 1 2.052 0.300 -0.974 1.00 0.00 C ATOM 3 C MET A 1 1.178 0.478 -2.211 1.00 0.00 C ATOM 4 O MET A 1 1.418 -0.140 -3.249 1.00 0.00 O ATOM 5 CB MET A 1 2.984 1.503 -0.817 1.00 0.00 C ATOM 6 CG MET A 1 3.310 1.834 0.631 1.00 0.00 C ATOM 7 SD MET A 1 4.647 0.821 1.291 1.00 0.00 S ATOM 8 CE MET A 1 6.068 1.840 0.901 1.00 0.00 C ATOM 0 H1 MET A 1 3.674 -0.852 -0.461 1.00 0.00 H new ATOM 0 H2 MET A 1 2.245 -1.730 -0.728 1.00 0.00 H new ATOM 0 H3 MET A 1 3.111 -1.097 -2.044 1.00 0.00 H new ATOM 0 HA MET A 1 1.405 0.234 -0.099 1.00 0.00 H new ATOM 0 HB2 MET A 1 3.912 1.306 -1.354 1.00 0.00 H new ATOM 0 HB3 MET A 1 2.523 2.373 -1.285 1.00 0.00 H new ATOM 0 HG2 MET A 1 3.585 2.886 0.706 1.00 0.00 H new ATOM 0 HG3 MET A 1 2.418 1.694 1.241 1.00 0.00 H new ATOM 0 HE1 MET A 1 6.976 1.346 1.248 1.00 0.00 H new ATOM 0 HE2 MET A 1 6.125 1.988 -0.177 1.00 0.00 H new ATOM 0 HE3 MET A 1 5.969 2.807 1.395 1.00 0.00 H new ATOM 18 N THR A 2 0.161 1.327 -2.095 1.00 0.00 N ATOM 19 CA THR A 2 -0.749 1.586 -3.203 1.00 0.00 C ATOM 20 C THR A 2 -0.584 3.006 -3.732 1.00 0.00 C ATOM 21 O THR A 2 -0.531 3.964 -2.960 1.00 0.00 O ATOM 22 CB THR A 2 -2.217 1.373 -2.786 1.00 0.00 C ATOM 23 OG1 THR A 2 -2.311 0.279 -1.867 1.00 0.00 O ATOM 24 CG2 THR A 2 -3.091 1.099 -4.000 1.00 0.00 C ATOM 0 H THR A 2 -0.053 1.847 -1.244 1.00 0.00 H new ATOM 0 HA THR A 2 -0.496 0.877 -3.991 1.00 0.00 H new ATOM 0 HB THR A 2 -2.570 2.284 -2.303 1.00 0.00 H new ATOM 0 HG1 THR A 2 -3.247 0.151 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 2 -4.123 0.952 -3.680 1.00 0.00 H new ATOM 0 HG22 THR A 2 -3.040 1.947 -4.684 1.00 0.00 H new ATOM 0 HG23 THR A 2 -2.737 0.202 -4.508 1.00 0.00 H new ATOM 32 N LEU A 3 -0.503 3.135 -5.051 1.00 0.00 N ATOM 33 CA LEU A 3 -0.344 4.440 -5.684 1.00 0.00 C ATOM 34 C LEU A 3 -1.544 4.768 -6.566 1.00 0.00 C ATOM 35 O LEU A 3 -2.113 3.886 -7.211 1.00 0.00 O ATOM 36 CB LEU A 3 0.939 4.472 -6.516 1.00 0.00 C ATOM 37 CG LEU A 3 2.236 4.711 -5.742 1.00 0.00 C ATOM 38 CD1 LEU A 3 2.175 6.033 -4.993 1.00 0.00 C ATOM 39 CD2 LEU A 3 2.501 3.562 -4.780 1.00 0.00 C ATOM 0 H LEU A 3 -0.545 2.352 -5.704 1.00 0.00 H new ATOM 0 HA LEU A 3 -0.279 5.192 -4.898 1.00 0.00 H new ATOM 0 HB2 LEU A 3 1.027 3.525 -7.048 1.00 0.00 H new ATOM 0 HB3 LEU A 3 0.840 5.253 -7.270 1.00 0.00 H new ATOM 0 HG LEU A 3 3.059 4.759 -6.455 1.00 0.00 H new ATOM 0 HD11 LEU A 3 3.107 6.186 -4.448 1.00 0.00 H new ATOM 0 HD12 LEU A 3 2.032 6.847 -5.703 1.00 0.00 H new ATOM 0 HD13 LEU A 3 1.342 6.015 -4.290 1.00 0.00 H new ATOM 0 HD21 LEU A 3 3.428 3.748 -4.237 1.00 0.00 H new ATOM 0 HD22 LEU A 3 1.676 3.482 -4.072 1.00 0.00 H new ATOM 0 HD23 LEU A 3 2.589 2.631 -5.340 1.00 0.00 H new ATOM 51 N CYS A 4 -1.924 6.041 -6.591 1.00 0.00 N ATOM 52 CA CYS A 4 -3.056 6.485 -7.395 1.00 0.00 C ATOM 53 C CYS A 4 -2.818 7.890 -7.939 1.00 0.00 C ATOM 54 O CYS A 4 -2.164 8.712 -7.298 1.00 0.00 O ATOM 55 CB CYS A 4 -4.340 6.457 -6.565 1.00 0.00 C ATOM 56 SG CYS A 4 -4.229 7.359 -5.002 1.00 0.00 S ATOM 0 H CYS A 4 -1.464 6.783 -6.064 1.00 0.00 H new ATOM 0 HA CYS A 4 -3.162 5.802 -8.238 1.00 0.00 H new ATOM 0 HB2 CYS A 4 -5.152 6.878 -7.158 1.00 0.00 H new ATOM 0 HB3 CYS A 4 -4.602 5.420 -6.356 1.00 0.00 H new ATOM 0 HG CYS A 4 -2.979 7.544 -4.696 1.00 0.00 H new ATOM 62 N ALA A 5 -3.353 8.158 -9.126 1.00 0.00 N ATOM 63 CA ALA A 5 -3.199 9.464 -9.756 1.00 0.00 C ATOM 64 C ALA A 5 -4.471 10.294 -9.616 1.00 0.00 C ATOM 65 O ALA A 5 -5.580 9.769 -9.717 1.00 0.00 O ATOM 66 CB ALA A 5 -2.831 9.302 -11.223 1.00 0.00 C ATOM 0 H ALA A 5 -3.897 7.488 -9.670 1.00 0.00 H new ATOM 0 HA ALA A 5 -2.393 9.993 -9.247 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -2.719 10.285 -11.681 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -1.892 8.755 -11.304 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -3.618 8.750 -11.737 1.00 0.00 H new ATOM 72 N MET A 6 -4.303 11.591 -9.384 1.00 0.00 N ATOM 73 CA MET A 6 -5.438 12.494 -9.231 1.00 0.00 C ATOM 74 C MET A 6 -5.789 13.156 -10.560 1.00 0.00 C ATOM 75 O MET A 6 -5.052 14.011 -11.052 1.00 0.00 O ATOM 76 CB MET A 6 -5.130 13.562 -8.181 1.00 0.00 C ATOM 77 CG MET A 6 -5.030 13.014 -6.767 1.00 0.00 C ATOM 78 SD MET A 6 -6.631 12.928 -5.941 1.00 0.00 S ATOM 79 CE MET A 6 -6.363 11.552 -4.826 1.00 0.00 C ATOM 0 H MET A 6 -3.392 12.041 -9.298 1.00 0.00 H new ATOM 0 HA MET A 6 -6.295 11.907 -8.900 1.00 0.00 H new ATOM 0 HB2 MET A 6 -4.192 14.053 -8.439 1.00 0.00 H new ATOM 0 HB3 MET A 6 -5.908 14.325 -8.212 1.00 0.00 H new ATOM 0 HG2 MET A 6 -4.587 12.018 -6.798 1.00 0.00 H new ATOM 0 HG3 MET A 6 -4.358 13.644 -6.184 1.00 0.00 H new ATOM 0 HE1 MET A 6 -7.226 11.442 -4.170 1.00 0.00 H new ATOM 0 HE2 MET A 6 -6.227 10.637 -5.403 1.00 0.00 H new ATOM 0 HE3 MET A 6 -5.473 11.738 -4.226 1.00 0.00 H new ATOM 89 N TYR A 7 -6.917 12.755 -11.136 1.00 0.00 N ATOM 90 CA TYR A 7 -7.363 13.308 -12.409 1.00 0.00 C ATOM 91 C TYR A 7 -8.400 14.406 -12.193 1.00 0.00 C ATOM 92 O TYR A 7 -9.549 14.130 -11.849 1.00 0.00 O ATOM 93 CB TYR A 7 -7.949 12.204 -13.291 1.00 0.00 C ATOM 94 CG TYR A 7 -7.819 12.479 -14.772 1.00 0.00 C ATOM 95 CD1 TYR A 7 -8.421 13.592 -15.347 1.00 0.00 C ATOM 96 CD2 TYR A 7 -7.096 11.626 -15.597 1.00 0.00 C ATOM 97 CE1 TYR A 7 -8.306 13.847 -16.700 1.00 0.00 C ATOM 98 CE2 TYR A 7 -6.975 11.875 -16.950 1.00 0.00 C ATOM 99 CZ TYR A 7 -7.581 12.986 -17.497 1.00 0.00 C ATOM 100 OH TYR A 7 -7.464 13.236 -18.845 1.00 0.00 O ATOM 0 H TYR A 7 -7.539 12.049 -10.742 1.00 0.00 H new ATOM 0 HA TYR A 7 -6.498 13.744 -12.910 1.00 0.00 H new ATOM 0 HB2 TYR A 7 -7.450 11.263 -13.060 1.00 0.00 H new ATOM 0 HB3 TYR A 7 -9.003 12.075 -13.045 1.00 0.00 H new ATOM 0 HD1 TYR A 7 -8.988 14.269 -14.726 1.00 0.00 H new ATOM 0 HD2 TYR A 7 -6.621 10.754 -15.173 1.00 0.00 H new ATOM 0 HE1 TYR A 7 -8.781 14.716 -17.131 1.00 0.00 H new ATOM 0 HE2 TYR A 7 -6.408 11.202 -17.577 1.00 0.00 H new ATOM 0 HH TYR A 7 -6.572 12.971 -19.151 1.00 0.00 H new ATOM 110 N ASN A 8 -7.985 15.651 -12.397 1.00 0.00 N ATOM 111 CA ASN A 8 -8.877 16.792 -12.225 1.00 0.00 C ATOM 112 C ASN A 8 -9.515 17.189 -13.553 1.00 0.00 C ATOM 113 O ASN A 8 -8.853 17.747 -14.429 1.00 0.00 O ATOM 114 CB ASN A 8 -8.112 17.981 -11.639 1.00 0.00 C ATOM 115 CG ASN A 8 -7.356 17.615 -10.376 1.00 0.00 C ATOM 116 OD1 ASN A 8 -6.212 17.166 -10.432 1.00 0.00 O ATOM 117 ND2 ASN A 8 -7.996 17.807 -9.228 1.00 0.00 N ATOM 0 H ASN A 8 -7.037 15.896 -12.682 1.00 0.00 H new ATOM 0 HA ASN A 8 -9.668 16.501 -11.534 1.00 0.00 H new ATOM 0 HB2 ASN A 8 -7.411 18.360 -12.382 1.00 0.00 H new ATOM 0 HB3 ASN A 8 -8.812 18.788 -11.420 1.00 0.00 H new ATOM 0 HD21 ASN A 8 -7.539 17.580 -8.345 1.00 0.00 H new ATOM 0 HD22 ASN A 8 -8.945 18.182 -9.229 1.00 0.00 H new ATOM 124 N ILE A 9 -10.804 16.898 -13.694 1.00 0.00 N ATOM 125 CA ILE A 9 -11.531 17.226 -14.914 1.00 0.00 C ATOM 126 C ILE A 9 -12.600 18.281 -14.649 1.00 0.00 C ATOM 127 O ILE A 9 -13.412 18.141 -13.735 1.00 0.00 O ATOM 128 CB ILE A 9 -12.197 15.979 -15.525 1.00 0.00 C ATOM 129 CG1 ILE A 9 -12.890 16.337 -16.841 1.00 0.00 C ATOM 130 CG2 ILE A 9 -13.190 15.374 -14.544 1.00 0.00 C ATOM 131 CD1 ILE A 9 -13.561 15.159 -17.511 1.00 0.00 C ATOM 0 H ILE A 9 -11.366 16.436 -12.979 1.00 0.00 H new ATOM 0 HA ILE A 9 -10.801 17.621 -15.621 1.00 0.00 H new ATOM 0 HB ILE A 9 -11.425 15.238 -15.733 1.00 0.00 H new ATOM 0 HG12 ILE A 9 -13.635 17.109 -16.651 1.00 0.00 H new ATOM 0 HG13 ILE A 9 -12.156 16.763 -17.524 1.00 0.00 H new ATOM 0 HG21 ILE A 9 -13.652 14.494 -14.991 1.00 0.00 H new ATOM 0 HG22 ILE A 9 -12.670 15.087 -13.630 1.00 0.00 H new ATOM 0 HG23 ILE A 9 -13.961 16.108 -14.307 1.00 0.00 H new ATOM 0 HD11 ILE A 9 -14.031 15.487 -18.438 1.00 0.00 H new ATOM 0 HD12 ILE A 9 -12.817 14.394 -17.733 1.00 0.00 H new ATOM 0 HD13 ILE A 9 -14.319 14.746 -16.846 1.00 0.00 H new ATOM 143 N SER A 10 -12.595 19.336 -15.458 1.00 0.00 N ATOM 144 CA SER A 10 -13.563 20.417 -15.310 1.00 0.00 C ATOM 145 C SER A 10 -14.152 20.807 -16.662 1.00 0.00 C ATOM 146 O SER A 10 -13.590 21.633 -17.381 1.00 0.00 O ATOM 147 CB SER A 10 -12.905 21.634 -14.657 1.00 0.00 C ATOM 148 OG SER A 10 -11.492 21.559 -14.746 1.00 0.00 O ATOM 0 H SER A 10 -11.932 19.465 -16.222 1.00 0.00 H new ATOM 0 HA SER A 10 -14.371 20.063 -14.670 1.00 0.00 H new ATOM 0 HB2 SER A 10 -13.255 22.545 -15.142 1.00 0.00 H new ATOM 0 HB3 SER A 10 -13.204 21.695 -13.611 1.00 0.00 H new ATOM 0 HG SER A 10 -11.241 20.854 -15.378 1.00 0.00 H new ATOM 154 N MET A 11 -15.288 20.206 -17.001 1.00 0.00 N ATOM 155 CA MET A 11 -15.955 20.491 -18.266 1.00 0.00 C ATOM 156 C MET A 11 -16.186 21.989 -18.434 1.00 0.00 C ATOM 157 O MET A 11 -16.281 22.725 -17.452 1.00 0.00 O ATOM 158 CB MET A 11 -17.288 19.745 -18.344 1.00 0.00 C ATOM 159 CG MET A 11 -17.751 19.474 -19.766 1.00 0.00 C ATOM 160 SD MET A 11 -18.940 20.696 -20.354 1.00 0.00 S ATOM 161 CE MET A 11 -18.327 20.993 -22.011 1.00 0.00 C ATOM 0 H MET A 11 -15.766 19.519 -16.418 1.00 0.00 H new ATOM 0 HA MET A 11 -15.308 20.149 -19.074 1.00 0.00 H new ATOM 0 HB2 MET A 11 -17.196 18.797 -17.814 1.00 0.00 H new ATOM 0 HB3 MET A 11 -18.051 20.327 -17.827 1.00 0.00 H new ATOM 0 HG2 MET A 11 -16.887 19.465 -20.430 1.00 0.00 H new ATOM 0 HG3 MET A 11 -18.201 18.482 -19.815 1.00 0.00 H new ATOM 0 HE1 MET A 11 -18.949 21.743 -22.500 1.00 0.00 H new ATOM 0 HE2 MET A 11 -17.299 21.352 -21.960 1.00 0.00 H new ATOM 0 HE3 MET A 11 -18.360 20.066 -22.583 1.00 0.00 H new ATOM 171 N ALA A 12 -16.275 22.434 -19.683 1.00 0.00 N ATOM 172 CA ALA A 12 -16.497 23.844 -19.978 1.00 0.00 C ATOM 173 C ALA A 12 -17.696 24.384 -19.206 1.00 0.00 C ATOM 174 O ALA A 12 -18.841 24.054 -19.508 1.00 0.00 O ATOM 175 CB ALA A 12 -16.695 24.046 -21.473 1.00 0.00 C ATOM 0 H ALA A 12 -16.197 21.838 -20.507 1.00 0.00 H new ATOM 0 HA ALA A 12 -15.614 24.399 -19.662 1.00 0.00 H new ATOM 0 HB1 ALA A 12 -16.860 25.104 -21.679 1.00 0.00 H new ATOM 0 HB2 ALA A 12 -15.807 23.707 -22.007 1.00 0.00 H new ATOM 0 HB3 ALA A 12 -17.560 23.473 -21.806 1.00 0.00 H new ATOM 181 N GLY A 13 -17.424 25.218 -18.207 1.00 0.00 N ATOM 182 CA GLY A 13 -18.491 25.790 -17.406 1.00 0.00 C ATOM 183 C GLY A 13 -18.949 24.860 -16.301 1.00 0.00 C ATOM 184 O GLY A 13 -20.149 24.683 -16.087 1.00 0.00 O ATOM 0 H GLY A 13 -16.484 25.508 -17.938 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -18.150 26.728 -16.969 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -19.337 26.028 -18.050 1.00 0.00 H new ATOM 188 N SER A 14 -17.993 24.261 -15.599 1.00 0.00 N ATOM 189 CA SER A 14 -18.305 23.338 -14.513 1.00 0.00 C ATOM 190 C SER A 14 -17.180 23.310 -13.484 1.00 0.00 C ATOM 191 O SER A 14 -16.023 23.585 -13.804 1.00 0.00 O ATOM 192 CB SER A 14 -18.543 21.931 -15.064 1.00 0.00 C ATOM 193 OG SER A 14 -18.276 20.947 -14.081 1.00 0.00 O ATOM 0 H SER A 14 -16.996 24.398 -15.762 1.00 0.00 H new ATOM 0 HA SER A 14 -19.214 23.687 -14.022 1.00 0.00 H new ATOM 0 HB2 SER A 14 -19.575 21.840 -15.404 1.00 0.00 H new ATOM 0 HB3 SER A 14 -17.906 21.764 -15.932 1.00 0.00 H new ATOM 0 HG SER A 14 -18.437 20.057 -14.457 1.00 0.00 H new ATOM 199 N HIS A 15 -17.528 22.976 -12.245 1.00 0.00 N ATOM 200 CA HIS A 15 -16.548 22.911 -11.167 1.00 0.00 C ATOM 201 C HIS A 15 -15.553 21.779 -11.404 1.00 0.00 C ATOM 202 O HIS A 15 -15.803 20.852 -12.175 1.00 0.00 O ATOM 203 CB HIS A 15 -17.250 22.716 -9.822 1.00 0.00 C ATOM 204 CG HIS A 15 -17.620 24.001 -9.148 1.00 0.00 C ATOM 205 ND1 HIS A 15 -18.909 24.491 -9.119 1.00 0.00 N ATOM 206 CD2 HIS A 15 -16.863 24.897 -8.473 1.00 0.00 C ATOM 207 CE1 HIS A 15 -18.928 25.634 -8.457 1.00 0.00 C ATOM 208 NE2 HIS A 15 -17.699 25.903 -8.054 1.00 0.00 N ATOM 0 H HIS A 15 -18.481 22.746 -11.963 1.00 0.00 H new ATOM 0 HA HIS A 15 -16.001 23.854 -11.150 1.00 0.00 H new ATOM 0 HB2 HIS A 15 -18.151 22.123 -9.975 1.00 0.00 H new ATOM 0 HB3 HIS A 15 -16.599 22.143 -9.161 1.00 0.00 H new ATOM 0 HD2 HIS A 15 -15.799 24.833 -8.297 1.00 0.00 H new ATOM 0 HE1 HIS A 15 -19.800 26.245 -8.276 1.00 0.00 H new ATOM 0 HE2 HIS A 15 -17.417 26.724 -7.519 1.00 0.00 H new ATOM 216 N PRO A 16 -14.397 21.854 -10.728 1.00 0.00 N ATOM 217 CA PRO A 16 -13.342 20.844 -10.849 1.00 0.00 C ATOM 218 C PRO A 16 -13.738 19.514 -10.218 1.00 0.00 C ATOM 219 O PRO A 16 -14.045 19.446 -9.027 1.00 0.00 O ATOM 220 CB PRO A 16 -12.166 21.467 -10.092 1.00 0.00 C ATOM 221 CG PRO A 16 -12.796 22.403 -9.118 1.00 0.00 C ATOM 222 CD PRO A 16 -14.032 22.931 -9.792 1.00 0.00 C ATOM 0 HA PRO A 16 -13.120 20.609 -11.890 1.00 0.00 H new ATOM 0 HB2 PRO A 16 -11.574 20.706 -9.584 1.00 0.00 H new ATOM 0 HB3 PRO A 16 -11.494 21.994 -10.769 1.00 0.00 H new ATOM 0 HG2 PRO A 16 -13.047 21.890 -8.190 1.00 0.00 H new ATOM 0 HG3 PRO A 16 -12.115 23.214 -8.860 1.00 0.00 H new ATOM 0 HD2 PRO A 16 -14.829 23.127 -9.074 1.00 0.00 H new ATOM 0 HD3 PRO A 16 -13.836 23.868 -10.314 1.00 0.00 H new ATOM 230 N THR A 17 -13.728 18.456 -11.023 1.00 0.00 N ATOM 231 CA THR A 17 -14.086 17.127 -10.543 1.00 0.00 C ATOM 232 C THR A 17 -12.844 16.282 -10.284 1.00 0.00 C ATOM 233 O THR A 17 -12.120 15.922 -11.213 1.00 0.00 O ATOM 234 CB THR A 17 -14.993 16.392 -11.549 1.00 0.00 C ATOM 235 OG1 THR A 17 -16.223 17.106 -11.711 1.00 0.00 O ATOM 236 CG2 THR A 17 -15.281 14.974 -11.082 1.00 0.00 C ATOM 0 H THR A 17 -13.476 18.494 -12.011 1.00 0.00 H new ATOM 0 HA THR A 17 -14.629 17.265 -9.608 1.00 0.00 H new ATOM 0 HB THR A 17 -14.473 16.343 -12.506 1.00 0.00 H new ATOM 0 HG1 THR A 17 -16.793 16.634 -12.353 1.00 0.00 H new ATOM 0 HG21 THR A 17 -15.923 14.475 -11.808 1.00 0.00 H new ATOM 0 HG22 THR A 17 -14.344 14.425 -10.988 1.00 0.00 H new ATOM 0 HG23 THR A 17 -15.783 15.004 -10.115 1.00 0.00 H new ATOM 244 N THR A 18 -12.602 15.967 -9.015 1.00 0.00 N ATOM 245 CA THR A 18 -11.447 15.165 -8.634 1.00 0.00 C ATOM 246 C THR A 18 -11.725 13.677 -8.820 1.00 0.00 C ATOM 247 O THR A 18 -12.470 13.075 -8.047 1.00 0.00 O ATOM 248 CB THR A 18 -11.044 15.421 -7.170 1.00 0.00 C ATOM 249 OG1 THR A 18 -11.364 16.767 -6.802 1.00 0.00 O ATOM 250 CG2 THR A 18 -9.556 15.175 -6.967 1.00 0.00 C ATOM 0 H THR A 18 -13.191 16.256 -8.234 1.00 0.00 H new ATOM 0 HA THR A 18 -10.626 15.463 -9.287 1.00 0.00 H new ATOM 0 HB THR A 18 -11.600 14.729 -6.537 1.00 0.00 H new ATOM 0 HG1 THR A 18 -11.106 16.921 -5.869 1.00 0.00 H new ATOM 0 HG21 THR A 18 -9.295 15.362 -5.925 1.00 0.00 H new ATOM 0 HG22 THR A 18 -9.320 14.141 -7.220 1.00 0.00 H new ATOM 0 HG23 THR A 18 -8.985 15.845 -7.610 1.00 0.00 H new ATOM 258 N ILE A 19 -11.122 13.091 -9.849 1.00 0.00 N ATOM 259 CA ILE A 19 -11.304 11.674 -10.134 1.00 0.00 C ATOM 260 C ILE A 19 -10.059 10.874 -9.765 1.00 0.00 C ATOM 261 O ILE A 19 -9.032 10.960 -10.439 1.00 0.00 O ATOM 262 CB ILE A 19 -11.631 11.436 -11.620 1.00 0.00 C ATOM 263 CG1 ILE A 19 -12.720 12.405 -12.086 1.00 0.00 C ATOM 264 CG2 ILE A 19 -12.066 9.995 -11.843 1.00 0.00 C ATOM 265 CD1 ILE A 19 -13.063 12.268 -13.553 1.00 0.00 C ATOM 0 H ILE A 19 -10.503 13.576 -10.499 1.00 0.00 H new ATOM 0 HA ILE A 19 -12.144 11.336 -9.527 1.00 0.00 H new ATOM 0 HB ILE A 19 -10.732 11.618 -12.208 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -13.620 12.240 -11.494 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -12.394 13.427 -11.891 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -12.294 9.843 -12.898 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -11.262 9.322 -11.544 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -12.954 9.787 -11.247 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -13.842 12.985 -13.813 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -12.175 12.463 -14.154 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -13.420 11.257 -13.750 1.00 0.00 H new ATOM 277 N CYS A 20 -10.158 10.097 -8.693 1.00 0.00 N ATOM 278 CA CYS A 20 -9.040 9.280 -8.234 1.00 0.00 C ATOM 279 C CYS A 20 -8.939 7.992 -9.044 1.00 0.00 C ATOM 280 O CYS A 20 -9.902 7.231 -9.143 1.00 0.00 O ATOM 281 CB CYS A 20 -9.196 8.952 -6.748 1.00 0.00 C ATOM 282 SG CYS A 20 -9.539 10.390 -5.707 1.00 0.00 S ATOM 0 H CYS A 20 -11.001 10.015 -8.125 1.00 0.00 H new ATOM 0 HA CYS A 20 -8.123 9.851 -8.378 1.00 0.00 H new ATOM 0 HB2 CYS A 20 -10.004 8.230 -6.629 1.00 0.00 H new ATOM 0 HB3 CYS A 20 -8.284 8.471 -6.395 1.00 0.00 H new ATOM 0 HG CYS A 20 -9.656 10.011 -4.469 1.00 0.00 H new ATOM 288 N VAL A 21 -7.767 7.754 -9.624 1.00 0.00 N ATOM 289 CA VAL A 21 -7.540 6.558 -10.426 1.00 0.00 C ATOM 290 C VAL A 21 -6.334 5.775 -9.918 1.00 0.00 C ATOM 291 O VAL A 21 -5.402 6.348 -9.354 1.00 0.00 O ATOM 292 CB VAL A 21 -7.320 6.911 -11.910 1.00 0.00 C ATOM 293 CG1 VAL A 21 -7.299 5.650 -12.761 1.00 0.00 C ATOM 294 CG2 VAL A 21 -8.395 7.872 -12.393 1.00 0.00 C ATOM 0 H VAL A 21 -6.960 8.374 -9.553 1.00 0.00 H new ATOM 0 HA VAL A 21 -8.434 5.942 -10.334 1.00 0.00 H new ATOM 0 HB VAL A 21 -6.353 7.404 -12.009 1.00 0.00 H new ATOM 0 HG11 VAL A 21 -7.143 5.919 -13.806 1.00 0.00 H new ATOM 0 HG12 VAL A 21 -6.490 5.000 -12.428 1.00 0.00 H new ATOM 0 HG13 VAL A 21 -8.250 5.127 -12.659 1.00 0.00 H new ATOM 0 HG21 VAL A 21 -8.225 8.111 -13.443 1.00 0.00 H new ATOM 0 HG22 VAL A 21 -9.375 7.408 -12.281 1.00 0.00 H new ATOM 0 HG23 VAL A 21 -8.357 8.787 -11.802 1.00 0.00 H new ATOM 304 N VAL A 22 -6.360 4.462 -10.121 1.00 0.00 N ATOM 305 CA VAL A 22 -5.268 3.599 -9.685 1.00 0.00 C ATOM 306 C VAL A 22 -3.990 3.896 -10.460 1.00 0.00 C ATOM 307 O VAL A 22 -4.036 4.383 -11.589 1.00 0.00 O ATOM 308 CB VAL A 22 -5.626 2.111 -9.856 1.00 0.00 C ATOM 309 CG1 VAL A 22 -4.621 1.233 -9.125 1.00 0.00 C ATOM 310 CG2 VAL A 22 -7.039 1.843 -9.361 1.00 0.00 C ATOM 0 H VAL A 22 -7.125 3.972 -10.585 1.00 0.00 H new ATOM 0 HA VAL A 22 -5.104 3.806 -8.627 1.00 0.00 H new ATOM 0 HB VAL A 22 -5.584 1.865 -10.917 1.00 0.00 H new ATOM 0 HG11 VAL A 22 -4.890 0.185 -9.257 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -3.624 1.406 -9.531 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -4.628 1.479 -8.063 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -7.275 0.787 -9.489 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -7.111 2.105 -8.305 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -7.745 2.445 -9.933 1.00 0.00 H new ATOM 320 N MET A 23 -2.849 3.597 -9.847 1.00 0.00 N ATOM 321 CA MET A 23 -1.557 3.830 -10.481 1.00 0.00 C ATOM 322 C MET A 23 -1.426 3.015 -11.763 1.00 0.00 C ATOM 323 O MET A 23 -0.578 3.302 -12.609 1.00 0.00 O ATOM 324 CB MET A 23 -0.421 3.476 -9.519 1.00 0.00 C ATOM 325 CG MET A 23 0.950 3.464 -10.176 1.00 0.00 C ATOM 326 SD MET A 23 1.365 5.040 -10.946 1.00 0.00 S ATOM 327 CE MET A 23 3.139 4.871 -11.127 1.00 0.00 C ATOM 0 H MET A 23 -2.793 3.193 -8.912 1.00 0.00 H new ATOM 0 HA MET A 23 -1.491 4.888 -10.736 1.00 0.00 H new ATOM 0 HB2 MET A 23 -0.415 4.192 -8.698 1.00 0.00 H new ATOM 0 HB3 MET A 23 -0.616 2.495 -9.085 1.00 0.00 H new ATOM 0 HG2 MET A 23 1.705 3.219 -9.428 1.00 0.00 H new ATOM 0 HG3 MET A 23 0.981 2.677 -10.929 1.00 0.00 H new ATOM 0 HE1 MET A 23 3.576 5.844 -11.353 1.00 0.00 H new ATOM 0 HE2 MET A 23 3.565 4.489 -10.199 1.00 0.00 H new ATOM 0 HE3 MET A 23 3.357 4.177 -11.939 1.00 0.00 H new ATOM 337 N ASP A 24 -2.269 1.997 -11.901 1.00 0.00 N ATOM 338 CA ASP A 24 -2.247 1.141 -13.081 1.00 0.00 C ATOM 339 C ASP A 24 -3.497 1.353 -13.929 1.00 0.00 C ATOM 340 O ASP A 24 -3.708 0.660 -14.925 1.00 0.00 O ATOM 341 CB ASP A 24 -2.139 -0.328 -12.669 1.00 0.00 C ATOM 342 CG ASP A 24 -1.740 -1.226 -13.824 1.00 0.00 C ATOM 343 OD1 ASP A 24 -0.817 -0.850 -14.576 1.00 0.00 O ATOM 344 OD2 ASP A 24 -2.351 -2.304 -13.975 1.00 0.00 O ATOM 0 H ASP A 24 -2.976 1.745 -11.210 1.00 0.00 H new ATOM 0 HA ASP A 24 -1.375 1.408 -13.678 1.00 0.00 H new ATOM 0 HB2 ASP A 24 -1.406 -0.425 -11.868 1.00 0.00 H new ATOM 0 HB3 ASP A 24 -3.096 -0.661 -12.268 1.00 0.00 H new ATOM 349 N ARG A 25 -4.322 2.315 -13.528 1.00 0.00 N ATOM 350 CA ARG A 25 -5.552 2.617 -14.250 1.00 0.00 C ATOM 351 C ARG A 25 -5.550 4.059 -14.749 1.00 0.00 C ATOM 352 O ARG A 25 -6.385 4.446 -15.566 1.00 0.00 O ATOM 353 CB ARG A 25 -6.768 2.378 -13.353 1.00 0.00 C ATOM 354 CG ARG A 25 -8.095 2.471 -14.087 1.00 0.00 C ATOM 355 CD ARG A 25 -8.199 1.423 -15.184 1.00 0.00 C ATOM 356 NE ARG A 25 -8.064 0.066 -14.660 1.00 0.00 N ATOM 357 CZ ARG A 25 -8.195 -1.026 -15.404 1.00 0.00 C ATOM 358 NH1 ARG A 25 -8.464 -0.922 -16.699 1.00 0.00 N ATOM 359 NH2 ARG A 25 -8.058 -2.226 -14.854 1.00 0.00 N ATOM 0 H ARG A 25 -4.161 2.898 -12.707 1.00 0.00 H new ATOM 0 HA ARG A 25 -5.609 1.952 -15.112 1.00 0.00 H new ATOM 0 HB2 ARG A 25 -6.684 1.392 -12.896 1.00 0.00 H new ATOM 0 HB3 ARG A 25 -6.759 3.106 -12.542 1.00 0.00 H new ATOM 0 HG2 ARG A 25 -8.914 2.341 -13.379 1.00 0.00 H new ATOM 0 HG3 ARG A 25 -8.203 3.465 -14.520 1.00 0.00 H new ATOM 0 HD2 ARG A 25 -9.159 1.522 -15.690 1.00 0.00 H new ATOM 0 HD3 ARG A 25 -7.425 1.602 -15.931 1.00 0.00 H new ATOM 0 HE ARG A 25 -7.858 -0.049 -13.668 1.00 0.00 H new ATOM 0 HH11 ARG A 25 -8.571 -0.002 -17.125 1.00 0.00 H new ATOM 0 HH12 ARG A 25 -8.564 -1.762 -17.268 1.00 0.00 H new ATOM 0 HH21 ARG A 25 -7.852 -2.310 -13.859 1.00 0.00 H new ATOM 0 HH22 ARG A 25 -8.159 -3.064 -15.427 1.00 0.00 H new ATOM 373 N PHE A 26 -4.605 4.850 -14.251 1.00 0.00 N ATOM 374 CA PHE A 26 -4.494 6.250 -14.644 1.00 0.00 C ATOM 375 C PHE A 26 -4.493 6.389 -16.164 1.00 0.00 C ATOM 376 O PHE A 26 -5.066 7.331 -16.712 1.00 0.00 O ATOM 377 CB PHE A 26 -3.220 6.866 -14.063 1.00 0.00 C ATOM 378 CG PHE A 26 -1.967 6.417 -14.759 1.00 0.00 C ATOM 379 CD1 PHE A 26 -1.522 5.110 -14.641 1.00 0.00 C ATOM 380 CD2 PHE A 26 -1.233 7.303 -15.532 1.00 0.00 C ATOM 381 CE1 PHE A 26 -0.369 4.696 -15.280 1.00 0.00 C ATOM 382 CE2 PHE A 26 -0.079 6.894 -16.173 1.00 0.00 C ATOM 383 CZ PHE A 26 0.353 5.588 -16.048 1.00 0.00 C ATOM 0 H PHE A 26 -3.905 4.545 -13.575 1.00 0.00 H new ATOM 0 HA PHE A 26 -5.359 6.782 -14.248 1.00 0.00 H new ATOM 0 HB2 PHE A 26 -3.291 7.952 -14.123 1.00 0.00 H new ATOM 0 HB3 PHE A 26 -3.151 6.609 -13.006 1.00 0.00 H new ATOM 0 HD1 PHE A 26 -2.083 4.407 -14.043 1.00 0.00 H new ATOM 0 HD2 PHE A 26 -1.567 8.325 -15.635 1.00 0.00 H new ATOM 0 HE1 PHE A 26 -0.032 3.675 -15.179 1.00 0.00 H new ATOM 0 HE2 PHE A 26 0.485 7.595 -16.771 1.00 0.00 H new ATOM 0 HZ PHE A 26 1.253 5.265 -16.550 1.00 0.00 H new ATOM 393 N LEU A 27 -3.846 5.446 -16.838 1.00 0.00 N ATOM 394 CA LEU A 27 -3.769 5.462 -18.295 1.00 0.00 C ATOM 395 C LEU A 27 -5.147 5.259 -18.915 1.00 0.00 C ATOM 396 O LEU A 27 -5.590 6.056 -19.741 1.00 0.00 O ATOM 397 CB LEU A 27 -2.810 4.376 -18.787 1.00 0.00 C ATOM 398 CG LEU A 27 -1.947 4.741 -19.995 1.00 0.00 C ATOM 399 CD1 LEU A 27 -0.854 3.703 -20.203 1.00 0.00 C ATOM 400 CD2 LEU A 27 -2.806 4.870 -21.244 1.00 0.00 C ATOM 0 H LEU A 27 -3.367 4.660 -16.399 1.00 0.00 H new ATOM 0 HA LEU A 27 -3.392 6.437 -18.604 1.00 0.00 H new ATOM 0 HB2 LEU A 27 -2.150 4.102 -17.964 1.00 0.00 H new ATOM 0 HB3 LEU A 27 -3.393 3.490 -19.037 1.00 0.00 H new ATOM 0 HG LEU A 27 -1.474 5.704 -19.802 1.00 0.00 H new ATOM 0 HD11 LEU A 27 -0.250 3.979 -21.067 1.00 0.00 H new ATOM 0 HD12 LEU A 27 -0.221 3.659 -19.317 1.00 0.00 H new ATOM 0 HD13 LEU A 27 -1.307 2.727 -20.374 1.00 0.00 H new ATOM 0 HD21 LEU A 27 -2.175 5.130 -22.094 1.00 0.00 H new ATOM 0 HD22 LEU A 27 -3.307 3.922 -21.441 1.00 0.00 H new ATOM 0 HD23 LEU A 27 -3.552 5.650 -21.093 1.00 0.00 H new ATOM 412 N GLU A 28 -5.821 4.187 -18.510 1.00 0.00 N ATOM 413 CA GLU A 28 -7.150 3.880 -19.026 1.00 0.00 C ATOM 414 C GLU A 28 -8.082 5.079 -18.875 1.00 0.00 C ATOM 415 O GLU A 28 -8.841 5.407 -19.786 1.00 0.00 O ATOM 416 CB GLU A 28 -7.737 2.669 -18.298 1.00 0.00 C ATOM 417 CG GLU A 28 -8.852 1.979 -19.066 1.00 0.00 C ATOM 418 CD GLU A 28 -8.330 1.047 -20.141 1.00 0.00 C ATOM 419 OE1 GLU A 28 -8.088 1.522 -21.271 1.00 0.00 O ATOM 420 OE2 GLU A 28 -8.162 -0.157 -19.854 1.00 0.00 O ATOM 0 H GLU A 28 -5.469 3.517 -17.826 1.00 0.00 H new ATOM 0 HA GLU A 28 -7.055 3.646 -20.086 1.00 0.00 H new ATOM 0 HB2 GLU A 28 -6.941 1.950 -18.106 1.00 0.00 H new ATOM 0 HB3 GLU A 28 -8.119 2.988 -17.328 1.00 0.00 H new ATOM 0 HG2 GLU A 28 -9.472 1.414 -18.370 1.00 0.00 H new ATOM 0 HG3 GLU A 28 -9.493 2.732 -19.524 1.00 0.00 H new ATOM 427 N SER A 29 -8.018 5.728 -17.717 1.00 0.00 N ATOM 428 CA SER A 29 -8.859 6.888 -17.444 1.00 0.00 C ATOM 429 C SER A 29 -8.544 8.027 -18.408 1.00 0.00 C ATOM 430 O SER A 29 -9.443 8.605 -19.019 1.00 0.00 O ATOM 431 CB SER A 29 -8.663 7.358 -16.001 1.00 0.00 C ATOM 432 OG SER A 29 -9.151 6.397 -15.081 1.00 0.00 O ATOM 0 H SER A 29 -7.393 5.471 -16.953 1.00 0.00 H new ATOM 0 HA SER A 29 -9.899 6.593 -17.585 1.00 0.00 H new ATOM 0 HB2 SER A 29 -7.604 7.539 -15.815 1.00 0.00 H new ATOM 0 HB3 SER A 29 -9.180 8.306 -15.850 1.00 0.00 H new ATOM 0 HG SER A 29 -10.046 6.107 -15.355 1.00 0.00 H new ATOM 438 N PHE A 30 -7.260 8.344 -18.540 1.00 0.00 N ATOM 439 CA PHE A 30 -6.824 9.415 -19.430 1.00 0.00 C ATOM 440 C PHE A 30 -7.214 9.114 -20.874 1.00 0.00 C ATOM 441 O PHE A 30 -7.673 9.996 -21.600 1.00 0.00 O ATOM 442 CB PHE A 30 -5.310 9.606 -19.328 1.00 0.00 C ATOM 443 CG PHE A 30 -4.830 10.907 -19.906 1.00 0.00 C ATOM 444 CD1 PHE A 30 -4.785 11.096 -21.278 1.00 0.00 C ATOM 445 CD2 PHE A 30 -4.424 11.941 -19.077 1.00 0.00 C ATOM 446 CE1 PHE A 30 -4.343 12.291 -21.812 1.00 0.00 C ATOM 447 CE2 PHE A 30 -3.981 13.139 -19.606 1.00 0.00 C ATOM 448 CZ PHE A 30 -3.942 13.315 -20.975 1.00 0.00 C ATOM 0 H PHE A 30 -6.503 7.875 -18.042 1.00 0.00 H new ATOM 0 HA PHE A 30 -7.321 10.335 -19.122 1.00 0.00 H new ATOM 0 HB2 PHE A 30 -5.015 9.552 -18.280 1.00 0.00 H new ATOM 0 HB3 PHE A 30 -4.813 8.784 -19.842 1.00 0.00 H new ATOM 0 HD1 PHE A 30 -5.099 10.300 -21.937 1.00 0.00 H new ATOM 0 HD2 PHE A 30 -4.454 11.809 -18.005 1.00 0.00 H new ATOM 0 HE1 PHE A 30 -4.311 12.425 -22.883 1.00 0.00 H new ATOM 0 HE2 PHE A 30 -3.666 13.936 -18.949 1.00 0.00 H new ATOM 0 HZ PHE A 30 -3.599 14.251 -21.391 1.00 0.00 H new ATOM 458 N SER A 31 -7.028 7.863 -21.283 1.00 0.00 N ATOM 459 CA SER A 31 -7.356 7.447 -22.641 1.00 0.00 C ATOM 460 C SER A 31 -8.833 7.681 -22.940 1.00 0.00 C ATOM 461 O SER A 31 -9.184 8.284 -23.953 1.00 0.00 O ATOM 462 CB SER A 31 -7.011 5.970 -22.841 1.00 0.00 C ATOM 463 OG SER A 31 -7.533 5.485 -24.067 1.00 0.00 O ATOM 0 H SER A 31 -6.652 7.120 -20.693 1.00 0.00 H new ATOM 0 HA SER A 31 -6.765 8.048 -23.332 1.00 0.00 H new ATOM 0 HB2 SER A 31 -5.929 5.841 -22.827 1.00 0.00 H new ATOM 0 HB3 SER A 31 -7.413 5.384 -22.014 1.00 0.00 H new ATOM 0 HG SER A 31 -7.297 4.539 -24.172 1.00 0.00 H new ATOM 469 N GLU A 32 -9.694 7.198 -22.049 1.00 0.00 N ATOM 470 CA GLU A 32 -11.134 7.354 -22.217 1.00 0.00 C ATOM 471 C GLU A 32 -11.539 8.822 -22.108 1.00 0.00 C ATOM 472 O GLU A 32 -12.513 9.256 -22.725 1.00 0.00 O ATOM 473 CB GLU A 32 -11.885 6.528 -21.170 1.00 0.00 C ATOM 474 CG GLU A 32 -13.351 6.310 -21.504 1.00 0.00 C ATOM 475 CD GLU A 32 -13.570 5.122 -22.421 1.00 0.00 C ATOM 476 OE1 GLU A 32 -12.674 4.255 -22.492 1.00 0.00 O ATOM 477 OE2 GLU A 32 -14.636 5.060 -23.067 1.00 0.00 O ATOM 0 H GLU A 32 -9.419 6.696 -21.205 1.00 0.00 H new ATOM 0 HA GLU A 32 -11.399 6.994 -23.211 1.00 0.00 H new ATOM 0 HB2 GLU A 32 -11.397 5.559 -21.065 1.00 0.00 H new ATOM 0 HB3 GLU A 32 -11.812 7.028 -20.204 1.00 0.00 H new ATOM 0 HG2 GLU A 32 -13.912 6.160 -20.581 1.00 0.00 H new ATOM 0 HG3 GLU A 32 -13.749 7.208 -21.977 1.00 0.00 H new ATOM 484 N LEU A 33 -10.785 9.580 -21.320 1.00 0.00 N ATOM 485 CA LEU A 33 -11.065 10.999 -21.129 1.00 0.00 C ATOM 486 C LEU A 33 -10.882 11.770 -22.433 1.00 0.00 C ATOM 487 O LEU A 33 -11.722 12.590 -22.803 1.00 0.00 O ATOM 488 CB LEU A 33 -10.150 11.578 -20.049 1.00 0.00 C ATOM 489 CG LEU A 33 -10.665 12.828 -19.332 1.00 0.00 C ATOM 490 CD1 LEU A 33 -10.770 13.994 -20.303 1.00 0.00 C ATOM 491 CD2 LEU A 33 -12.012 12.551 -18.680 1.00 0.00 C ATOM 0 H LEU A 33 -9.976 9.236 -20.803 1.00 0.00 H new ATOM 0 HA LEU A 33 -12.103 11.100 -20.811 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -9.967 10.805 -19.303 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -9.188 11.815 -20.504 1.00 0.00 H new ATOM 0 HG LEU A 33 -9.954 13.095 -18.551 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -11.138 14.874 -19.776 1.00 0.00 H new ATOM 0 HD12 LEU A 33 -9.787 14.207 -20.723 1.00 0.00 H new ATOM 0 HD13 LEU A 33 -11.460 13.737 -21.106 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -12.363 13.451 -18.175 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -12.733 12.259 -19.444 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -11.906 11.745 -17.954 1.00 0.00 H new ATOM 503 N TYR A 34 -9.781 11.500 -23.125 1.00 0.00 N ATOM 504 CA TYR A 34 -9.488 12.168 -24.387 1.00 0.00 C ATOM 505 C TYR A 34 -10.608 11.939 -25.397 1.00 0.00 C ATOM 506 O TYR A 34 -10.763 12.702 -26.352 1.00 0.00 O ATOM 507 CB TYR A 34 -8.160 11.666 -24.958 1.00 0.00 C ATOM 508 CG TYR A 34 -7.947 12.035 -26.408 1.00 0.00 C ATOM 509 CD1 TYR A 34 -7.914 13.365 -26.809 1.00 0.00 C ATOM 510 CD2 TYR A 34 -7.780 11.054 -27.378 1.00 0.00 C ATOM 511 CE1 TYR A 34 -7.720 13.707 -28.134 1.00 0.00 C ATOM 512 CE2 TYR A 34 -7.584 11.387 -28.704 1.00 0.00 C ATOM 513 CZ TYR A 34 -7.555 12.715 -29.077 1.00 0.00 C ATOM 514 OH TYR A 34 -7.361 13.050 -30.398 1.00 0.00 O ATOM 0 H TYR A 34 -9.076 10.823 -22.833 1.00 0.00 H new ATOM 0 HA TYR A 34 -9.411 13.238 -24.193 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -7.342 12.073 -24.364 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -8.118 10.581 -24.858 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -8.042 14.145 -26.073 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.804 10.013 -27.090 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -7.698 14.746 -28.429 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.454 10.612 -29.445 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.261 12.234 -30.931 1.00 0.00 H new ATOM 524 N ASP A 35 -11.386 10.885 -25.180 1.00 0.00 N ATOM 525 CA ASP A 35 -12.493 10.555 -26.069 1.00 0.00 C ATOM 526 C ASP A 35 -13.765 11.284 -25.647 1.00 0.00 C ATOM 527 O ASP A 35 -14.314 12.084 -26.405 1.00 0.00 O ATOM 528 CB ASP A 35 -12.735 9.045 -26.078 1.00 0.00 C ATOM 529 CG ASP A 35 -12.187 8.378 -27.325 1.00 0.00 C ATOM 530 OD1 ASP A 35 -12.248 9.000 -28.406 1.00 0.00 O ATOM 531 OD2 ASP A 35 -11.696 7.235 -27.218 1.00 0.00 O ATOM 0 H ASP A 35 -11.270 10.244 -24.395 1.00 0.00 H new ATOM 0 HA ASP A 35 -12.227 10.879 -27.075 1.00 0.00 H new ATOM 0 HB2 ASP A 35 -12.271 8.600 -25.198 1.00 0.00 H new ATOM 0 HB3 ASP A 35 -13.805 8.851 -26.006 1.00 0.00 H new ATOM 536 N ILE A 36 -14.228 11.001 -24.434 1.00 0.00 N ATOM 537 CA ILE A 36 -15.435 11.630 -23.912 1.00 0.00 C ATOM 538 C ILE A 36 -15.315 13.150 -23.932 1.00 0.00 C ATOM 539 O ILE A 36 -16.277 13.855 -24.240 1.00 0.00 O ATOM 540 CB ILE A 36 -15.733 11.169 -22.473 1.00 0.00 C ATOM 541 CG1 ILE A 36 -16.986 11.866 -21.940 1.00 0.00 C ATOM 542 CG2 ILE A 36 -14.541 11.448 -21.570 1.00 0.00 C ATOM 543 CD1 ILE A 36 -17.416 11.376 -20.575 1.00 0.00 C ATOM 0 H ILE A 36 -13.786 10.341 -23.795 1.00 0.00 H new ATOM 0 HA ILE A 36 -16.256 11.324 -24.560 1.00 0.00 H new ATOM 0 HB ILE A 36 -15.914 10.094 -22.482 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -16.802 12.939 -21.890 1.00 0.00 H new ATOM 0 HG13 ILE A 36 -17.803 11.715 -22.645 1.00 0.00 H new ATOM 0 HG21 ILE A 36 -14.767 11.117 -20.556 1.00 0.00 H new ATOM 0 HG22 ILE A 36 -13.669 10.910 -21.942 1.00 0.00 H new ATOM 0 HG23 ILE A 36 -14.332 12.518 -21.564 1.00 0.00 H new ATOM 0 HD11 ILE A 36 -18.310 11.914 -20.260 1.00 0.00 H new ATOM 0 HD12 ILE A 36 -17.633 10.309 -20.623 1.00 0.00 H new ATOM 0 HD13 ILE A 36 -16.615 11.552 -19.857 1.00 0.00 H new ATOM 555 N ILE A 37 -14.128 13.649 -23.605 1.00 0.00 N ATOM 556 CA ILE A 37 -13.882 15.086 -23.588 1.00 0.00 C ATOM 557 C ILE A 37 -14.290 15.729 -24.910 1.00 0.00 C ATOM 558 O ILE A 37 -14.687 16.894 -24.949 1.00 0.00 O ATOM 559 CB ILE A 37 -12.399 15.400 -23.314 1.00 0.00 C ATOM 560 CG1 ILE A 37 -12.218 16.889 -23.014 1.00 0.00 C ATOM 561 CG2 ILE A 37 -11.542 14.984 -24.500 1.00 0.00 C ATOM 562 CD1 ILE A 37 -12.413 17.240 -21.556 1.00 0.00 C ATOM 0 H ILE A 37 -13.321 13.080 -23.348 1.00 0.00 H new ATOM 0 HA ILE A 37 -14.488 15.501 -22.782 1.00 0.00 H new ATOM 0 HB ILE A 37 -12.077 14.832 -22.442 1.00 0.00 H new ATOM 0 HG12 ILE A 37 -11.218 17.194 -23.322 1.00 0.00 H new ATOM 0 HG13 ILE A 37 -12.925 17.461 -23.615 1.00 0.00 H new ATOM 0 HG21 ILE A 37 -10.497 15.212 -24.291 1.00 0.00 H new ATOM 0 HG22 ILE A 37 -11.653 13.913 -24.671 1.00 0.00 H new ATOM 0 HG23 ILE A 37 -11.862 15.528 -25.389 1.00 0.00 H new ATOM 0 HD11 ILE A 37 -12.269 18.312 -21.417 1.00 0.00 H new ATOM 0 HD12 ILE A 37 -13.422 16.966 -21.248 1.00 0.00 H new ATOM 0 HD13 ILE A 37 -11.688 16.696 -20.951 1.00 0.00 H new ATOM 574 N ASP A 38 -14.192 14.961 -25.990 1.00 0.00 N ATOM 575 CA ASP A 38 -14.554 15.455 -27.313 1.00 0.00 C ATOM 576 C ASP A 38 -15.991 15.967 -27.328 1.00 0.00 C ATOM 577 O ASP A 38 -16.346 16.822 -28.138 1.00 0.00 O ATOM 578 CB ASP A 38 -14.382 14.350 -28.357 1.00 0.00 C ATOM 579 CG ASP A 38 -14.555 14.861 -29.774 1.00 0.00 C ATOM 580 OD1 ASP A 38 -13.819 15.792 -30.164 1.00 0.00 O ATOM 581 OD2 ASP A 38 -15.425 14.328 -30.494 1.00 0.00 O ATOM 0 H ASP A 38 -13.865 13.995 -25.975 1.00 0.00 H new ATOM 0 HA ASP A 38 -13.890 16.284 -27.559 1.00 0.00 H new ATOM 0 HB2 ASP A 38 -13.392 13.906 -28.252 1.00 0.00 H new ATOM 0 HB3 ASP A 38 -15.108 13.559 -28.168 1.00 0.00 H new ATOM 586 N GLU A 39 -16.812 15.436 -26.428 1.00 0.00 N ATOM 587 CA GLU A 39 -18.211 15.839 -26.340 1.00 0.00 C ATOM 588 C GLU A 39 -18.453 16.697 -25.101 1.00 0.00 C ATOM 589 O GLU A 39 -17.516 17.062 -24.393 1.00 0.00 O ATOM 590 CB GLU A 39 -19.118 14.607 -26.305 1.00 0.00 C ATOM 591 CG GLU A 39 -18.983 13.717 -27.529 1.00 0.00 C ATOM 592 CD GLU A 39 -19.752 14.247 -28.724 1.00 0.00 C ATOM 593 OE1 GLU A 39 -20.224 15.402 -28.660 1.00 0.00 O ATOM 594 OE2 GLU A 39 -19.883 13.508 -29.721 1.00 0.00 O ATOM 0 H GLU A 39 -16.533 14.727 -25.750 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.448 16.432 -27.224 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -18.888 14.022 -25.414 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -20.155 14.932 -26.215 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.929 13.625 -27.792 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -19.340 12.716 -27.287 1.00 0.00 H new ATOM 601 N ASN A 40 -19.718 17.016 -24.848 1.00 0.00 N ATOM 602 CA ASN A 40 -20.085 17.832 -23.696 1.00 0.00 C ATOM 603 C ASN A 40 -21.128 17.124 -22.837 1.00 0.00 C ATOM 604 O ASN A 40 -21.907 17.767 -22.133 1.00 0.00 O ATOM 605 CB ASN A 40 -20.622 19.189 -24.156 1.00 0.00 C ATOM 606 CG ASN A 40 -22.076 19.121 -24.582 1.00 0.00 C ATOM 607 OD1 ASN A 40 -22.448 18.314 -25.435 1.00 0.00 O ATOM 608 ND2 ASN A 40 -22.907 19.969 -23.987 1.00 0.00 N ATOM 0 H ASN A 40 -20.506 16.722 -25.425 1.00 0.00 H new ATOM 0 HA ASN A 40 -19.190 17.988 -23.093 1.00 0.00 H new ATOM 0 HB2 ASN A 40 -20.517 19.912 -23.347 1.00 0.00 H new ATOM 0 HB3 ASN A 40 -20.019 19.552 -24.988 1.00 0.00 H new ATOM 0 HD21 ASN A 40 -23.897 19.969 -24.231 1.00 0.00 H new ATOM 0 HD22 ASN A 40 -22.555 20.621 -23.286 1.00 0.00 H new ATOM 615 N ASP A 41 -21.137 15.797 -22.901 1.00 0.00 N ATOM 616 CA ASP A 41 -22.083 15.001 -22.128 1.00 0.00 C ATOM 617 C ASP A 41 -21.832 15.159 -20.632 1.00 0.00 C ATOM 618 O ASP A 41 -20.905 14.565 -20.080 1.00 0.00 O ATOM 619 CB ASP A 41 -21.982 13.526 -22.521 1.00 0.00 C ATOM 620 CG ASP A 41 -21.807 13.337 -24.015 1.00 0.00 C ATOM 621 OD1 ASP A 41 -22.729 13.704 -24.773 1.00 0.00 O ATOM 622 OD2 ASP A 41 -20.746 12.822 -24.427 1.00 0.00 O ATOM 0 H ASP A 41 -20.500 15.250 -23.480 1.00 0.00 H new ATOM 0 HA ASP A 41 -23.088 15.361 -22.350 1.00 0.00 H new ATOM 0 HB2 ASP A 41 -21.141 13.070 -21.999 1.00 0.00 H new ATOM 0 HB3 ASP A 41 -22.881 13.003 -22.194 1.00 0.00 H new ATOM 627 N THR A 42 -22.663 15.966 -19.979 1.00 0.00 N ATOM 628 CA THR A 42 -22.529 16.205 -18.548 1.00 0.00 C ATOM 629 C THR A 42 -23.239 15.123 -17.741 1.00 0.00 C ATOM 630 O THR A 42 -22.845 14.815 -16.617 1.00 0.00 O ATOM 631 CB THR A 42 -23.098 17.581 -18.152 1.00 0.00 C ATOM 632 OG1 THR A 42 -22.942 18.505 -19.235 1.00 0.00 O ATOM 633 CG2 THR A 42 -22.398 18.120 -16.914 1.00 0.00 C ATOM 0 H THR A 42 -23.436 16.465 -20.419 1.00 0.00 H new ATOM 0 HA THR A 42 -21.463 16.182 -18.323 1.00 0.00 H new ATOM 0 HB THR A 42 -24.158 17.461 -17.927 1.00 0.00 H new ATOM 0 HG1 THR A 42 -23.307 19.377 -18.976 1.00 0.00 H new ATOM 0 HG21 THR A 42 -22.817 19.092 -16.654 1.00 0.00 H new ATOM 0 HG22 THR A 42 -22.543 17.428 -16.084 1.00 0.00 H new ATOM 0 HG23 THR A 42 -21.332 18.226 -17.116 1.00 0.00 H new ATOM 641 N ASP A 43 -24.288 14.551 -18.323 1.00 0.00 N ATOM 642 CA ASP A 43 -25.052 13.502 -17.659 1.00 0.00 C ATOM 643 C ASP A 43 -24.255 12.202 -17.602 1.00 0.00 C ATOM 644 O ASP A 43 -24.482 11.360 -16.733 1.00 0.00 O ATOM 645 CB ASP A 43 -26.378 13.270 -18.384 1.00 0.00 C ATOM 646 CG ASP A 43 -27.113 12.047 -17.872 1.00 0.00 C ATOM 647 OD1 ASP A 43 -27.082 11.806 -16.647 1.00 0.00 O ATOM 648 OD2 ASP A 43 -27.718 11.329 -18.696 1.00 0.00 O ATOM 0 H ASP A 43 -24.628 14.796 -19.253 1.00 0.00 H new ATOM 0 HA ASP A 43 -25.257 13.827 -16.639 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -27.013 14.148 -18.264 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -26.190 13.156 -19.452 1.00 0.00 H new ATOM 653 N VAL A 44 -23.322 12.045 -18.536 1.00 0.00 N ATOM 654 CA VAL A 44 -22.491 10.848 -18.592 1.00 0.00 C ATOM 655 C VAL A 44 -21.244 11.003 -17.729 1.00 0.00 C ATOM 656 O VAL A 44 -20.608 10.018 -17.357 1.00 0.00 O ATOM 657 CB VAL A 44 -22.066 10.528 -20.037 1.00 0.00 C ATOM 658 CG1 VAL A 44 -21.240 9.251 -20.081 1.00 0.00 C ATOM 659 CG2 VAL A 44 -23.286 10.414 -20.939 1.00 0.00 C ATOM 0 H VAL A 44 -23.123 12.731 -19.264 1.00 0.00 H new ATOM 0 HA VAL A 44 -23.094 10.025 -18.208 1.00 0.00 H new ATOM 0 HB VAL A 44 -21.446 11.346 -20.404 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -20.949 9.041 -21.110 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -20.346 9.374 -19.469 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -21.832 8.421 -19.695 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -22.967 10.188 -21.956 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -23.934 9.616 -20.576 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -23.833 11.357 -20.932 1.00 0.00 H new ATOM 669 N MET A 45 -20.901 12.248 -17.414 1.00 0.00 N ATOM 670 CA MET A 45 -19.729 12.532 -16.593 1.00 0.00 C ATOM 671 C MET A 45 -19.771 11.737 -15.292 1.00 0.00 C ATOM 672 O MET A 45 -18.812 11.049 -14.943 1.00 0.00 O ATOM 673 CB MET A 45 -19.646 14.029 -16.287 1.00 0.00 C ATOM 674 CG MET A 45 -19.024 14.845 -17.408 1.00 0.00 C ATOM 675 SD MET A 45 -18.298 16.388 -16.823 1.00 0.00 S ATOM 676 CE MET A 45 -17.017 15.769 -15.735 1.00 0.00 C ATOM 0 H MET A 45 -21.417 13.075 -17.714 1.00 0.00 H new ATOM 0 HA MET A 45 -18.843 12.233 -17.152 1.00 0.00 H new ATOM 0 HB2 MET A 45 -20.649 14.407 -16.087 1.00 0.00 H new ATOM 0 HB3 MET A 45 -19.064 14.174 -15.377 1.00 0.00 H new ATOM 0 HG2 MET A 45 -18.255 14.250 -17.902 1.00 0.00 H new ATOM 0 HG3 MET A 45 -19.785 15.067 -18.156 1.00 0.00 H new ATOM 0 HE1 MET A 45 -16.162 16.445 -15.758 1.00 0.00 H new ATOM 0 HE2 MET A 45 -17.403 15.707 -14.717 1.00 0.00 H new ATOM 0 HE3 MET A 45 -16.706 14.778 -16.066 1.00 0.00 H new ATOM 686 N MET A 46 -20.888 11.836 -14.579 1.00 0.00 N ATOM 687 CA MET A 46 -21.054 11.124 -13.317 1.00 0.00 C ATOM 688 C MET A 46 -20.738 9.641 -13.483 1.00 0.00 C ATOM 689 O MET A 46 -20.001 9.061 -12.686 1.00 0.00 O ATOM 690 CB MET A 46 -22.481 11.298 -12.793 1.00 0.00 C ATOM 691 CG MET A 46 -23.551 10.962 -13.819 1.00 0.00 C ATOM 692 SD MET A 46 -25.206 11.427 -13.275 1.00 0.00 S ATOM 693 CE MET A 46 -25.443 10.296 -11.906 1.00 0.00 C ATOM 0 H MET A 46 -21.691 12.402 -14.853 1.00 0.00 H new ATOM 0 HA MET A 46 -20.355 11.547 -12.595 1.00 0.00 H new ATOM 0 HB2 MET A 46 -22.617 10.664 -11.917 1.00 0.00 H new ATOM 0 HB3 MET A 46 -22.615 12.329 -12.464 1.00 0.00 H new ATOM 0 HG2 MET A 46 -23.324 11.472 -14.755 1.00 0.00 H new ATOM 0 HG3 MET A 46 -23.528 9.892 -14.025 1.00 0.00 H new ATOM 0 HE1 MET A 46 -26.486 10.322 -11.589 1.00 0.00 H new ATOM 0 HE2 MET A 46 -25.184 9.285 -12.220 1.00 0.00 H new ATOM 0 HE3 MET A 46 -24.804 10.592 -11.074 1.00 0.00 H new ATOM 703 N ASP A 47 -21.300 9.034 -14.522 1.00 0.00 N ATOM 704 CA ASP A 47 -21.077 7.619 -14.793 1.00 0.00 C ATOM 705 C ASP A 47 -19.596 7.336 -15.025 1.00 0.00 C ATOM 706 O ASP A 47 -19.076 6.304 -14.601 1.00 0.00 O ATOM 707 CB ASP A 47 -21.890 7.176 -16.011 1.00 0.00 C ATOM 708 CG ASP A 47 -23.295 6.740 -15.643 1.00 0.00 C ATOM 709 OD1 ASP A 47 -24.037 7.559 -15.061 1.00 0.00 O ATOM 710 OD2 ASP A 47 -23.652 5.581 -15.937 1.00 0.00 O ATOM 0 H ASP A 47 -21.914 9.500 -15.191 1.00 0.00 H new ATOM 0 HA ASP A 47 -21.405 7.052 -13.921 1.00 0.00 H new ATOM 0 HB2 ASP A 47 -21.943 7.997 -16.726 1.00 0.00 H new ATOM 0 HB3 ASP A 47 -21.376 6.353 -16.507 1.00 0.00 H new ATOM 715 N PHE A 48 -18.922 8.260 -15.702 1.00 0.00 N ATOM 716 CA PHE A 48 -17.501 8.110 -15.992 1.00 0.00 C ATOM 717 C PHE A 48 -16.674 8.174 -14.711 1.00 0.00 C ATOM 718 O PHE A 48 -15.880 7.277 -14.427 1.00 0.00 O ATOM 719 CB PHE A 48 -17.040 9.197 -16.965 1.00 0.00 C ATOM 720 CG PHE A 48 -15.547 9.280 -17.108 1.00 0.00 C ATOM 721 CD1 PHE A 48 -14.879 8.477 -18.018 1.00 0.00 C ATOM 722 CD2 PHE A 48 -14.812 10.161 -16.331 1.00 0.00 C ATOM 723 CE1 PHE A 48 -13.505 8.551 -18.150 1.00 0.00 C ATOM 724 CE2 PHE A 48 -13.437 10.240 -16.460 1.00 0.00 C ATOM 725 CZ PHE A 48 -12.784 9.434 -17.371 1.00 0.00 C ATOM 0 H PHE A 48 -19.337 9.120 -16.060 1.00 0.00 H new ATOM 0 HA PHE A 48 -17.351 7.133 -16.452 1.00 0.00 H new ATOM 0 HB2 PHE A 48 -17.481 9.008 -17.944 1.00 0.00 H new ATOM 0 HB3 PHE A 48 -17.419 10.161 -16.626 1.00 0.00 H new ATOM 0 HD1 PHE A 48 -15.438 7.786 -18.631 1.00 0.00 H new ATOM 0 HD2 PHE A 48 -15.318 10.793 -15.617 1.00 0.00 H new ATOM 0 HE1 PHE A 48 -12.996 7.919 -18.862 1.00 0.00 H new ATOM 0 HE2 PHE A 48 -12.875 10.931 -15.849 1.00 0.00 H new ATOM 0 HZ PHE A 48 -11.711 9.494 -17.474 1.00 0.00 H new ATOM 735 N ILE A 49 -16.866 9.241 -13.943 1.00 0.00 N ATOM 736 CA ILE A 49 -16.139 9.423 -12.693 1.00 0.00 C ATOM 737 C ILE A 49 -16.320 8.220 -11.773 1.00 0.00 C ATOM 738 O ILE A 49 -15.363 7.743 -11.163 1.00 0.00 O ATOM 739 CB ILE A 49 -16.598 10.694 -11.954 1.00 0.00 C ATOM 740 CG1 ILE A 49 -16.385 11.927 -12.835 1.00 0.00 C ATOM 741 CG2 ILE A 49 -15.850 10.840 -10.638 1.00 0.00 C ATOM 742 CD1 ILE A 49 -17.528 12.915 -12.778 1.00 0.00 C ATOM 0 H ILE A 49 -17.519 9.993 -14.165 1.00 0.00 H new ATOM 0 HA ILE A 49 -15.085 9.525 -12.952 1.00 0.00 H new ATOM 0 HB ILE A 49 -17.662 10.606 -11.736 1.00 0.00 H new ATOM 0 HG12 ILE A 49 -15.467 12.428 -12.529 1.00 0.00 H new ATOM 0 HG13 ILE A 49 -16.244 11.606 -13.867 1.00 0.00 H new ATOM 0 HG21 ILE A 49 -16.185 11.743 -10.127 1.00 0.00 H new ATOM 0 HG22 ILE A 49 -16.048 9.972 -10.009 1.00 0.00 H new ATOM 0 HG23 ILE A 49 -14.780 10.910 -10.833 1.00 0.00 H new ATOM 0 HD11 ILE A 49 -17.308 13.763 -13.426 1.00 0.00 H new ATOM 0 HD12 ILE A 49 -18.445 12.430 -13.113 1.00 0.00 H new ATOM 0 HD13 ILE A 49 -17.656 13.265 -11.754 1.00 0.00 H new ATOM 754 N SER A 50 -17.553 7.734 -11.679 1.00 0.00 N ATOM 755 CA SER A 50 -17.860 6.588 -10.831 1.00 0.00 C ATOM 756 C SER A 50 -17.355 5.294 -11.463 1.00 0.00 C ATOM 757 O SER A 50 -17.031 4.334 -10.764 1.00 0.00 O ATOM 758 CB SER A 50 -19.368 6.496 -10.588 1.00 0.00 C ATOM 759 OG SER A 50 -19.757 5.165 -10.295 1.00 0.00 O ATOM 0 H SER A 50 -18.356 8.116 -12.179 1.00 0.00 H new ATOM 0 HA SER A 50 -17.353 6.727 -9.876 1.00 0.00 H new ATOM 0 HB2 SER A 50 -19.647 7.150 -9.762 1.00 0.00 H new ATOM 0 HB3 SER A 50 -19.904 6.849 -11.469 1.00 0.00 H new ATOM 0 HG SER A 50 -20.724 5.133 -10.142 1.00 0.00 H new ATOM 765 N ARG A 51 -17.292 5.277 -12.791 1.00 0.00 N ATOM 766 CA ARG A 51 -16.828 4.102 -13.518 1.00 0.00 C ATOM 767 C ARG A 51 -15.354 3.831 -13.232 1.00 0.00 C ATOM 768 O ARG A 51 -14.966 2.701 -12.934 1.00 0.00 O ATOM 769 CB ARG A 51 -17.040 4.290 -15.021 1.00 0.00 C ATOM 770 CG ARG A 51 -16.412 3.194 -15.867 1.00 0.00 C ATOM 771 CD ARG A 51 -17.024 1.836 -15.563 1.00 0.00 C ATOM 772 NE ARG A 51 -16.714 0.852 -16.597 1.00 0.00 N ATOM 773 CZ ARG A 51 -16.776 -0.461 -16.405 1.00 0.00 C ATOM 774 NH1 ARG A 51 -17.135 -0.945 -15.224 1.00 0.00 N ATOM 775 NH2 ARG A 51 -16.479 -1.292 -17.395 1.00 0.00 N ATOM 0 H ARG A 51 -17.556 6.063 -13.384 1.00 0.00 H new ATOM 0 HA ARG A 51 -17.409 3.244 -13.180 1.00 0.00 H new ATOM 0 HB2 ARG A 51 -18.110 4.328 -15.226 1.00 0.00 H new ATOM 0 HB3 ARG A 51 -16.624 5.252 -15.320 1.00 0.00 H new ATOM 0 HG2 ARG A 51 -16.546 3.426 -16.923 1.00 0.00 H new ATOM 0 HG3 ARG A 51 -15.338 3.160 -15.682 1.00 0.00 H new ATOM 0 HD2 ARG A 51 -16.655 1.479 -14.601 1.00 0.00 H new ATOM 0 HD3 ARG A 51 -18.105 1.938 -15.472 1.00 0.00 H new ATOM 0 HE ARG A 51 -16.435 1.192 -17.517 1.00 0.00 H new ATOM 0 HH11 ARG A 51 -17.364 -0.309 -14.460 1.00 0.00 H new ATOM 0 HH12 ARG A 51 -17.182 -1.954 -15.079 1.00 0.00 H new ATOM 0 HH21 ARG A 51 -16.203 -0.923 -18.305 1.00 0.00 H new ATOM 0 HH22 ARG A 51 -16.527 -2.300 -17.246 1.00 0.00 H new ATOM 789 N PHE A 52 -14.537 4.876 -13.324 1.00 0.00 N ATOM 790 CA PHE A 52 -13.106 4.751 -13.076 1.00 0.00 C ATOM 791 C PHE A 52 -12.794 4.922 -11.593 1.00 0.00 C ATOM 792 O PHE A 52 -12.186 4.051 -10.971 1.00 0.00 O ATOM 793 CB PHE A 52 -12.333 5.787 -13.895 1.00 0.00 C ATOM 794 CG PHE A 52 -11.988 5.321 -15.280 1.00 0.00 C ATOM 795 CD1 PHE A 52 -11.093 4.281 -15.472 1.00 0.00 C ATOM 796 CD2 PHE A 52 -12.559 5.922 -16.390 1.00 0.00 C ATOM 797 CE1 PHE A 52 -10.773 3.850 -16.746 1.00 0.00 C ATOM 798 CE2 PHE A 52 -12.243 5.495 -17.667 1.00 0.00 C ATOM 799 CZ PHE A 52 -11.349 4.457 -17.844 1.00 0.00 C ATOM 0 H PHE A 52 -14.842 5.818 -13.568 1.00 0.00 H new ATOM 0 HA PHE A 52 -12.795 3.752 -13.381 1.00 0.00 H new ATOM 0 HB2 PHE A 52 -12.926 6.699 -13.964 1.00 0.00 H new ATOM 0 HB3 PHE A 52 -11.414 6.043 -13.367 1.00 0.00 H new ATOM 0 HD1 PHE A 52 -10.640 3.802 -14.617 1.00 0.00 H new ATOM 0 HD2 PHE A 52 -13.259 6.733 -16.257 1.00 0.00 H new ATOM 0 HE1 PHE A 52 -10.073 3.039 -16.882 1.00 0.00 H new ATOM 0 HE2 PHE A 52 -12.694 5.972 -18.524 1.00 0.00 H new ATOM 0 HZ PHE A 52 -11.101 4.121 -18.840 1.00 0.00 H new ATOM 809 N ALA A 53 -13.213 6.052 -11.033 1.00 0.00 N ATOM 810 CA ALA A 53 -12.980 6.338 -9.622 1.00 0.00 C ATOM 811 C ALA A 53 -13.956 5.570 -8.738 1.00 0.00 C ATOM 812 O ALA A 53 -15.108 5.350 -9.114 1.00 0.00 O ATOM 813 CB ALA A 53 -13.092 7.833 -9.361 1.00 0.00 C ATOM 0 H ALA A 53 -13.715 6.784 -11.534 1.00 0.00 H new ATOM 0 HA ALA A 53 -11.970 6.012 -9.372 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -12.916 8.032 -8.304 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -12.350 8.363 -9.959 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -14.090 8.176 -9.633 1.00 0.00 H new ATOM 819 N ARG A 54 -13.488 5.164 -7.562 1.00 0.00 N ATOM 820 CA ARG A 54 -14.320 4.418 -6.625 1.00 0.00 C ATOM 821 C ARG A 54 -15.024 5.361 -5.653 1.00 0.00 C ATOM 822 O ARG A 54 -14.389 6.208 -5.023 1.00 0.00 O ATOM 823 CB ARG A 54 -13.472 3.408 -5.849 1.00 0.00 C ATOM 824 CG ARG A 54 -14.275 2.253 -5.274 1.00 0.00 C ATOM 825 CD ARG A 54 -13.376 1.094 -4.874 1.00 0.00 C ATOM 826 NE ARG A 54 -12.247 1.533 -4.058 1.00 0.00 N ATOM 827 CZ ARG A 54 -11.161 0.796 -3.849 1.00 0.00 C ATOM 828 NH1 ARG A 54 -11.058 -0.408 -4.394 1.00 0.00 N ATOM 829 NH2 ARG A 54 -10.176 1.265 -3.094 1.00 0.00 N ATOM 0 H ARG A 54 -12.538 5.339 -7.236 1.00 0.00 H new ATOM 0 HA ARG A 54 -15.077 3.882 -7.197 1.00 0.00 H new ATOM 0 HB2 ARG A 54 -12.701 3.010 -6.509 1.00 0.00 H new ATOM 0 HB3 ARG A 54 -12.961 3.924 -5.036 1.00 0.00 H new ATOM 0 HG2 ARG A 54 -14.837 2.596 -4.405 1.00 0.00 H new ATOM 0 HG3 ARG A 54 -15.003 1.913 -6.010 1.00 0.00 H new ATOM 0 HD2 ARG A 54 -13.959 0.358 -4.320 1.00 0.00 H new ATOM 0 HD3 ARG A 54 -13.004 0.598 -5.770 1.00 0.00 H new ATOM 0 HE ARG A 54 -12.295 2.455 -3.625 1.00 0.00 H new ATOM 0 HH11 ARG A 54 -11.813 -0.771 -4.975 1.00 0.00 H new ATOM 0 HH12 ARG A 54 -10.223 -0.971 -4.232 1.00 0.00 H new ATOM 0 HH21 ARG A 54 -10.252 2.191 -2.674 1.00 0.00 H new ATOM 0 HH22 ARG A 54 -9.343 0.699 -2.934 1.00 0.00 H new ATOM 843 N THR A 55 -16.339 5.209 -5.537 1.00 0.00 N ATOM 844 CA THR A 55 -17.129 6.047 -4.644 1.00 0.00 C ATOM 845 C THR A 55 -16.945 5.627 -3.190 1.00 0.00 C ATOM 846 O THR A 55 -17.866 5.102 -2.564 1.00 0.00 O ATOM 847 CB THR A 55 -18.627 5.988 -4.997 1.00 0.00 C ATOM 848 OG1 THR A 55 -19.094 4.636 -4.930 1.00 0.00 O ATOM 849 CG2 THR A 55 -18.877 6.547 -6.390 1.00 0.00 C ATOM 0 H THR A 55 -16.880 4.513 -6.051 1.00 0.00 H new ATOM 0 HA THR A 55 -16.773 7.069 -4.772 1.00 0.00 H new ATOM 0 HB THR A 55 -19.172 6.596 -4.275 1.00 0.00 H new ATOM 0 HG1 THR A 55 -18.948 4.284 -4.027 1.00 0.00 H new ATOM 0 HG21 THR A 55 -19.942 6.495 -6.617 1.00 0.00 H new ATOM 0 HG22 THR A 55 -18.548 7.585 -6.430 1.00 0.00 H new ATOM 0 HG23 THR A 55 -18.321 5.962 -7.122 1.00 0.00 H new ATOM 857 N ASP A 56 -15.751 5.862 -2.658 1.00 0.00 N ATOM 858 CA ASP A 56 -15.446 5.511 -1.276 1.00 0.00 C ATOM 859 C ASP A 56 -14.190 6.230 -0.796 1.00 0.00 C ATOM 860 O ASP A 56 -13.271 6.480 -1.575 1.00 0.00 O ATOM 861 CB ASP A 56 -15.266 3.998 -1.140 1.00 0.00 C ATOM 862 CG ASP A 56 -16.575 3.280 -0.875 1.00 0.00 C ATOM 863 OD1 ASP A 56 -17.327 3.726 0.017 1.00 0.00 O ATOM 864 OD2 ASP A 56 -16.848 2.273 -1.561 1.00 0.00 O ATOM 0 H ASP A 56 -14.978 6.295 -3.163 1.00 0.00 H new ATOM 0 HA ASP A 56 -16.283 5.827 -0.654 1.00 0.00 H new ATOM 0 HB2 ASP A 56 -14.818 3.605 -2.053 1.00 0.00 H new ATOM 0 HB3 ASP A 56 -14.570 3.790 -0.328 1.00 0.00 H new ATOM 869 N GLU A 57 -14.158 6.561 0.491 1.00 0.00 N ATOM 870 CA GLU A 57 -13.015 7.253 1.074 1.00 0.00 C ATOM 871 C GLU A 57 -12.033 6.261 1.689 1.00 0.00 C ATOM 872 O GLU A 57 -11.479 6.503 2.762 1.00 0.00 O ATOM 873 CB GLU A 57 -13.482 8.251 2.136 1.00 0.00 C ATOM 874 CG GLU A 57 -12.409 9.242 2.554 1.00 0.00 C ATOM 875 CD GLU A 57 -12.582 10.599 1.901 1.00 0.00 C ATOM 876 OE1 GLU A 57 -13.260 10.673 0.855 1.00 0.00 O ATOM 877 OE2 GLU A 57 -12.038 11.588 2.437 1.00 0.00 O ATOM 0 H GLU A 57 -14.911 6.361 1.150 1.00 0.00 H new ATOM 0 HA GLU A 57 -12.506 7.794 0.277 1.00 0.00 H new ATOM 0 HB2 GLU A 57 -14.342 8.800 1.753 1.00 0.00 H new ATOM 0 HB3 GLU A 57 -13.820 7.702 3.015 1.00 0.00 H new ATOM 0 HG2 GLU A 57 -12.430 9.359 3.637 1.00 0.00 H new ATOM 0 HG3 GLU A 57 -11.429 8.841 2.296 1.00 0.00 H new ATOM 884 N ILE A 58 -11.823 5.143 1.002 1.00 0.00 N ATOM 885 CA ILE A 58 -10.908 4.114 1.480 1.00 0.00 C ATOM 886 C ILE A 58 -9.510 4.310 0.904 1.00 0.00 C ATOM 887 O ILE A 58 -9.298 4.168 -0.300 1.00 0.00 O ATOM 888 CB ILE A 58 -11.407 2.703 1.116 1.00 0.00 C ATOM 889 CG1 ILE A 58 -12.803 2.466 1.697 1.00 0.00 C ATOM 890 CG2 ILE A 58 -10.432 1.650 1.619 1.00 0.00 C ATOM 891 CD1 ILE A 58 -13.375 1.108 1.359 1.00 0.00 C ATOM 0 H ILE A 58 -12.274 4.927 0.113 1.00 0.00 H new ATOM 0 HA ILE A 58 -10.868 4.208 2.565 1.00 0.00 H new ATOM 0 HB ILE A 58 -11.468 2.624 0.031 1.00 0.00 H new ATOM 0 HG12 ILE A 58 -12.760 2.574 2.781 1.00 0.00 H new ATOM 0 HG13 ILE A 58 -13.478 3.238 1.327 1.00 0.00 H new ATOM 0 HG21 ILE A 58 -10.799 0.658 1.354 1.00 0.00 H new ATOM 0 HG22 ILE A 58 -9.456 1.810 1.162 1.00 0.00 H new ATOM 0 HG23 ILE A 58 -10.342 1.726 2.703 1.00 0.00 H new ATOM 0 HD11 ILE A 58 -14.366 1.010 1.803 1.00 0.00 H new ATOM 0 HD12 ILE A 58 -13.451 1.004 0.277 1.00 0.00 H new ATOM 0 HD13 ILE A 58 -12.722 0.330 1.753 1.00 0.00 H new ATOM 903 N MET A 59 -8.558 4.637 1.772 1.00 0.00 N ATOM 904 CA MET A 59 -7.179 4.850 1.350 1.00 0.00 C ATOM 905 C MET A 59 -6.205 4.465 2.459 1.00 0.00 C ATOM 906 O MET A 59 -5.570 5.315 3.084 1.00 0.00 O ATOM 907 CB MET A 59 -6.965 6.312 0.952 1.00 0.00 C ATOM 908 CG MET A 59 -7.458 7.303 1.994 1.00 0.00 C ATOM 909 SD MET A 59 -6.724 8.938 1.798 1.00 0.00 S ATOM 910 CE MET A 59 -8.129 9.987 2.168 1.00 0.00 C ATOM 0 H MET A 59 -8.717 4.760 2.772 1.00 0.00 H new ATOM 0 HA MET A 59 -6.988 4.214 0.486 1.00 0.00 H new ATOM 0 HB2 MET A 59 -5.903 6.480 0.776 1.00 0.00 H new ATOM 0 HB3 MET A 59 -7.478 6.503 0.010 1.00 0.00 H new ATOM 0 HG2 MET A 59 -8.543 7.385 1.927 1.00 0.00 H new ATOM 0 HG3 MET A 59 -7.228 6.923 2.989 1.00 0.00 H new ATOM 0 HE1 MET A 59 -7.833 11.033 2.088 1.00 0.00 H new ATOM 0 HE2 MET A 59 -8.932 9.782 1.460 1.00 0.00 H new ATOM 0 HE3 MET A 59 -8.478 9.785 3.181 1.00 0.00 H new ATOM 920 N PRO A 60 -6.083 3.153 2.712 1.00 0.00 N ATOM 921 CA PRO A 60 -5.188 2.626 3.746 1.00 0.00 C ATOM 922 C PRO A 60 -3.717 2.792 3.380 1.00 0.00 C ATOM 923 O PRO A 60 -2.885 3.094 4.235 1.00 0.00 O ATOM 924 CB PRO A 60 -5.558 1.142 3.813 1.00 0.00 C ATOM 925 CG PRO A 60 -6.117 0.830 2.468 1.00 0.00 C ATOM 926 CD PRO A 60 -6.808 2.084 2.006 1.00 0.00 C ATOM 0 HA PRO A 60 -5.306 3.152 4.693 1.00 0.00 H new ATOM 0 HB2 PRO A 60 -4.686 0.526 4.032 1.00 0.00 H new ATOM 0 HB3 PRO A 60 -6.288 0.951 4.599 1.00 0.00 H new ATOM 0 HG2 PRO A 60 -5.327 0.541 1.774 1.00 0.00 H new ATOM 0 HG3 PRO A 60 -6.816 -0.005 2.520 1.00 0.00 H new ATOM 0 HD2 PRO A 60 -6.745 2.202 0.924 1.00 0.00 H new ATOM 0 HD3 PRO A 60 -7.867 2.078 2.265 1.00 0.00 H new ATOM 934 N GLU A 61 -3.403 2.595 2.103 1.00 0.00 N ATOM 935 CA GLU A 61 -2.032 2.723 1.625 1.00 0.00 C ATOM 936 C GLU A 61 -1.991 3.419 0.268 1.00 0.00 C ATOM 937 O GLU A 61 -1.064 3.220 -0.517 1.00 0.00 O ATOM 938 CB GLU A 61 -1.373 1.346 1.524 1.00 0.00 C ATOM 939 CG GLU A 61 -0.869 0.812 2.854 1.00 0.00 C ATOM 940 CD GLU A 61 -0.044 -0.451 2.702 1.00 0.00 C ATOM 941 OE1 GLU A 61 -0.510 -1.385 2.017 1.00 0.00 O ATOM 942 OE2 GLU A 61 1.067 -0.504 3.269 1.00 0.00 O ATOM 0 H GLU A 61 -4.080 2.346 1.382 1.00 0.00 H new ATOM 0 HA GLU A 61 -1.480 3.331 2.342 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -2.090 0.639 1.107 1.00 0.00 H new ATOM 0 HB3 GLU A 61 -0.538 1.403 0.825 1.00 0.00 H new ATOM 0 HG2 GLU A 61 -0.267 1.578 3.344 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.719 0.610 3.505 1.00 0.00 H new ATOM 949 N ASP A 62 -3.004 4.236 -0.001 1.00 0.00 N ATOM 950 CA ASP A 62 -3.085 4.964 -1.263 1.00 0.00 C ATOM 951 C ASP A 62 -2.377 6.311 -1.160 1.00 0.00 C ATOM 952 O ASP A 62 -2.706 7.134 -0.305 1.00 0.00 O ATOM 953 CB ASP A 62 -4.546 5.170 -1.664 1.00 0.00 C ATOM 954 CG ASP A 62 -5.147 3.941 -2.315 1.00 0.00 C ATOM 955 OD1 ASP A 62 -5.132 2.866 -1.680 1.00 0.00 O ATOM 956 OD2 ASP A 62 -5.632 4.053 -3.461 1.00 0.00 O ATOM 0 H ASP A 62 -3.780 4.411 0.637 1.00 0.00 H new ATOM 0 HA ASP A 62 -2.587 4.370 -2.029 1.00 0.00 H new ATOM 0 HB2 ASP A 62 -5.129 5.431 -0.781 1.00 0.00 H new ATOM 0 HB3 ASP A 62 -4.615 6.013 -2.352 1.00 0.00 H new ATOM 961 N LYS A 63 -1.401 6.530 -2.035 1.00 0.00 N ATOM 962 CA LYS A 63 -0.646 7.777 -2.044 1.00 0.00 C ATOM 963 C LYS A 63 -0.648 8.405 -3.434 1.00 0.00 C ATOM 964 O LYS A 63 -0.821 7.714 -4.439 1.00 0.00 O ATOM 965 CB LYS A 63 0.794 7.528 -1.588 1.00 0.00 C ATOM 966 CG LYS A 63 1.477 8.765 -1.030 1.00 0.00 C ATOM 967 CD LYS A 63 2.782 8.415 -0.335 1.00 0.00 C ATOM 968 CE LYS A 63 2.539 7.875 1.067 1.00 0.00 C ATOM 969 NZ LYS A 63 3.780 7.311 1.666 1.00 0.00 N ATOM 0 H LYS A 63 -1.114 5.859 -2.748 1.00 0.00 H new ATOM 0 HA LYS A 63 -1.126 8.468 -1.352 1.00 0.00 H new ATOM 0 HB2 LYS A 63 0.796 6.748 -0.827 1.00 0.00 H new ATOM 0 HB3 LYS A 63 1.374 7.152 -2.431 1.00 0.00 H new ATOM 0 HG2 LYS A 63 1.672 9.470 -1.838 1.00 0.00 H new ATOM 0 HG3 LYS A 63 0.811 9.263 -0.326 1.00 0.00 H new ATOM 0 HD2 LYS A 63 3.321 7.673 -0.924 1.00 0.00 H new ATOM 0 HD3 LYS A 63 3.415 9.300 -0.280 1.00 0.00 H new ATOM 0 HE2 LYS A 63 2.159 8.674 1.703 1.00 0.00 H new ATOM 0 HE3 LYS A 63 1.770 7.103 1.031 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 3.573 6.954 2.621 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 4.129 6.532 1.072 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 4.506 8.053 1.724 1.00 0.00 H new ATOM 983 N THR A 64 -0.454 9.719 -3.486 1.00 0.00 N ATOM 984 CA THR A 64 -0.434 10.439 -4.752 1.00 0.00 C ATOM 985 C THR A 64 0.801 10.079 -5.570 1.00 0.00 C ATOM 986 O THR A 64 1.931 10.213 -5.099 1.00 0.00 O ATOM 987 CB THR A 64 -0.463 11.964 -4.532 1.00 0.00 C ATOM 988 OG1 THR A 64 -1.197 12.273 -3.341 1.00 0.00 O ATOM 989 CG2 THR A 64 -1.096 12.670 -5.721 1.00 0.00 C ATOM 0 H THR A 64 -0.308 10.306 -2.665 1.00 0.00 H new ATOM 0 HA THR A 64 -1.329 10.141 -5.299 1.00 0.00 H new ATOM 0 HB THR A 64 0.564 12.314 -4.427 1.00 0.00 H new ATOM 0 HG1 THR A 64 -1.210 13.244 -3.207 1.00 0.00 H new ATOM 0 HG21 THR A 64 -1.105 13.745 -5.543 1.00 0.00 H new ATOM 0 HG22 THR A 64 -0.519 12.456 -6.621 1.00 0.00 H new ATOM 0 HG23 THR A 64 -2.118 12.315 -5.853 1.00 0.00 H new ATOM 997 N VAL A 65 0.579 9.621 -6.798 1.00 0.00 N ATOM 998 CA VAL A 65 1.675 9.244 -7.683 1.00 0.00 C ATOM 999 C VAL A 65 1.709 10.128 -8.924 1.00 0.00 C ATOM 1000 O VAL A 65 2.727 10.215 -9.609 1.00 0.00 O ATOM 1001 CB VAL A 65 1.562 7.771 -8.119 1.00 0.00 C ATOM 1002 CG1 VAL A 65 0.295 7.550 -8.931 1.00 0.00 C ATOM 1003 CG2 VAL A 65 2.792 7.354 -8.910 1.00 0.00 C ATOM 0 H VAL A 65 -0.350 9.502 -7.203 1.00 0.00 H new ATOM 0 HA VAL A 65 2.598 9.379 -7.119 1.00 0.00 H new ATOM 0 HB VAL A 65 1.505 7.149 -7.226 1.00 0.00 H new ATOM 0 HG11 VAL A 65 0.232 6.504 -9.230 1.00 0.00 H new ATOM 0 HG12 VAL A 65 -0.574 7.807 -8.326 1.00 0.00 H new ATOM 0 HG13 VAL A 65 0.318 8.181 -9.820 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.695 6.311 -9.210 1.00 0.00 H new ATOM 0 HG22 VAL A 65 2.883 7.980 -9.798 1.00 0.00 H new ATOM 0 HG23 VAL A 65 3.681 7.472 -8.290 1.00 0.00 H new ATOM 1013 N GLY A 66 0.588 10.785 -9.207 1.00 0.00 N ATOM 1014 CA GLY A 66 0.511 11.655 -10.366 1.00 0.00 C ATOM 1015 C GLY A 66 -0.723 12.535 -10.349 1.00 0.00 C ATOM 1016 O GLY A 66 -1.647 12.307 -9.567 1.00 0.00 O ATOM 0 H GLY A 66 -0.268 10.730 -8.655 1.00 0.00 H new ATOM 0 HA2 GLY A 66 1.401 12.283 -10.405 1.00 0.00 H new ATOM 0 HA3 GLY A 66 0.509 11.049 -11.272 1.00 0.00 H new ATOM 1020 N PHE A 67 -0.739 13.546 -11.212 1.00 0.00 N ATOM 1021 CA PHE A 67 -1.868 14.465 -11.291 1.00 0.00 C ATOM 1022 C PHE A 67 -2.059 14.971 -12.718 1.00 0.00 C ATOM 1023 O PHE A 67 -1.091 15.184 -13.448 1.00 0.00 O ATOM 1024 CB PHE A 67 -1.658 15.648 -10.343 1.00 0.00 C ATOM 1025 CG PHE A 67 -0.470 16.495 -10.696 1.00 0.00 C ATOM 1026 CD1 PHE A 67 -0.567 17.477 -11.670 1.00 0.00 C ATOM 1027 CD2 PHE A 67 0.745 16.311 -10.055 1.00 0.00 C ATOM 1028 CE1 PHE A 67 0.525 18.258 -11.997 1.00 0.00 C ATOM 1029 CE2 PHE A 67 1.841 17.089 -10.379 1.00 0.00 C ATOM 1030 CZ PHE A 67 1.730 18.065 -11.350 1.00 0.00 C ATOM 0 H PHE A 67 0.017 13.749 -11.866 1.00 0.00 H new ATOM 0 HA PHE A 67 -2.766 13.924 -10.993 1.00 0.00 H new ATOM 0 HB2 PHE A 67 -2.553 16.271 -10.348 1.00 0.00 H new ATOM 0 HB3 PHE A 67 -1.537 15.272 -9.327 1.00 0.00 H new ATOM 0 HD1 PHE A 67 -1.507 17.633 -12.179 1.00 0.00 H new ATOM 0 HD2 PHE A 67 0.837 15.551 -9.293 1.00 0.00 H new ATOM 0 HE1 PHE A 67 0.436 19.019 -12.758 1.00 0.00 H new ATOM 0 HE2 PHE A 67 2.783 16.934 -9.874 1.00 0.00 H new ATOM 0 HZ PHE A 67 2.584 18.676 -11.603 1.00 0.00 H new ATOM 1040 N VAL A 68 -3.315 15.160 -13.110 1.00 0.00 N ATOM 1041 CA VAL A 68 -3.634 15.641 -14.449 1.00 0.00 C ATOM 1042 C VAL A 68 -4.623 16.800 -14.395 1.00 0.00 C ATOM 1043 O VAL A 68 -5.751 16.647 -13.924 1.00 0.00 O ATOM 1044 CB VAL A 68 -4.222 14.518 -15.323 1.00 0.00 C ATOM 1045 CG1 VAL A 68 -4.494 15.023 -16.731 1.00 0.00 C ATOM 1046 CG2 VAL A 68 -3.287 13.318 -15.349 1.00 0.00 C ATOM 0 H VAL A 68 -4.128 14.987 -12.519 1.00 0.00 H new ATOM 0 HA VAL A 68 -2.700 15.985 -14.893 1.00 0.00 H new ATOM 0 HB VAL A 68 -5.170 14.202 -14.888 1.00 0.00 H new ATOM 0 HG11 VAL A 68 -4.909 14.215 -17.333 1.00 0.00 H new ATOM 0 HG12 VAL A 68 -5.205 15.848 -16.691 1.00 0.00 H new ATOM 0 HG13 VAL A 68 -3.563 15.369 -17.180 1.00 0.00 H new ATOM 0 HG21 VAL A 68 -3.718 12.534 -15.971 1.00 0.00 H new ATOM 0 HG22 VAL A 68 -2.322 13.617 -15.759 1.00 0.00 H new ATOM 0 HG23 VAL A 68 -3.149 12.942 -14.335 1.00 0.00 H new ATOM 1056 N VAL A 69 -4.194 17.960 -14.882 1.00 0.00 N ATOM 1057 CA VAL A 69 -5.043 19.145 -14.892 1.00 0.00 C ATOM 1058 C VAL A 69 -5.824 19.252 -16.197 1.00 0.00 C ATOM 1059 O VAL A 69 -5.242 19.418 -17.269 1.00 0.00 O ATOM 1060 CB VAL A 69 -4.215 20.429 -14.695 1.00 0.00 C ATOM 1061 CG1 VAL A 69 -5.126 21.645 -14.613 1.00 0.00 C ATOM 1062 CG2 VAL A 69 -3.348 20.318 -13.451 1.00 0.00 C ATOM 0 H VAL A 69 -3.264 18.104 -15.275 1.00 0.00 H new ATOM 0 HA VAL A 69 -5.742 19.041 -14.062 1.00 0.00 H new ATOM 0 HB VAL A 69 -3.560 20.553 -15.557 1.00 0.00 H new ATOM 0 HG11 VAL A 69 -4.523 22.542 -14.474 1.00 0.00 H new ATOM 0 HG12 VAL A 69 -5.700 21.733 -15.536 1.00 0.00 H new ATOM 0 HG13 VAL A 69 -5.809 21.532 -13.771 1.00 0.00 H new ATOM 0 HG21 VAL A 69 -2.770 21.234 -13.327 1.00 0.00 H new ATOM 0 HG22 VAL A 69 -3.983 20.169 -12.577 1.00 0.00 H new ATOM 0 HG23 VAL A 69 -2.669 19.472 -13.555 1.00 0.00 H new ATOM 1072 N VAL A 70 -7.146 19.155 -16.099 1.00 0.00 N ATOM 1073 CA VAL A 70 -8.008 19.242 -17.271 1.00 0.00 C ATOM 1074 C VAL A 70 -9.138 20.242 -17.050 1.00 0.00 C ATOM 1075 O VAL A 70 -10.047 20.000 -16.258 1.00 0.00 O ATOM 1076 CB VAL A 70 -8.612 17.871 -17.627 1.00 0.00 C ATOM 1077 CG1 VAL A 70 -9.539 17.990 -18.827 1.00 0.00 C ATOM 1078 CG2 VAL A 70 -7.511 16.856 -17.891 1.00 0.00 C ATOM 0 H VAL A 70 -7.643 19.016 -15.219 1.00 0.00 H new ATOM 0 HA VAL A 70 -7.384 19.581 -18.098 1.00 0.00 H new ATOM 0 HB VAL A 70 -9.200 17.522 -16.778 1.00 0.00 H new ATOM 0 HG11 VAL A 70 -9.956 17.011 -19.063 1.00 0.00 H new ATOM 0 HG12 VAL A 70 -10.348 18.682 -18.595 1.00 0.00 H new ATOM 0 HG13 VAL A 70 -8.978 18.362 -19.684 1.00 0.00 H new ATOM 0 HG21 VAL A 70 -7.956 15.893 -18.141 1.00 0.00 H new ATOM 0 HG22 VAL A 70 -6.893 17.197 -18.722 1.00 0.00 H new ATOM 0 HG23 VAL A 70 -6.893 16.749 -16.999 1.00 0.00 H new ATOM 1088 N ASN A 71 -9.073 21.365 -17.757 1.00 0.00 N ATOM 1089 CA ASN A 71 -10.091 22.403 -17.638 1.00 0.00 C ATOM 1090 C ASN A 71 -10.561 22.865 -19.014 1.00 0.00 C ATOM 1091 O ASN A 71 -9.852 23.589 -19.712 1.00 0.00 O ATOM 1092 CB ASN A 71 -9.546 23.593 -16.847 1.00 0.00 C ATOM 1093 CG ASN A 71 -9.074 23.199 -15.460 1.00 0.00 C ATOM 1094 OD1 ASN A 71 -8.224 22.322 -15.308 1.00 0.00 O ATOM 1095 ND2 ASN A 71 -9.626 23.848 -14.441 1.00 0.00 N ATOM 0 H ASN A 71 -8.327 21.580 -18.418 1.00 0.00 H new ATOM 0 HA ASN A 71 -10.943 21.981 -17.105 1.00 0.00 H new ATOM 0 HB2 ASN A 71 -8.718 24.042 -17.396 1.00 0.00 H new ATOM 0 HB3 ASN A 71 -10.321 24.354 -16.761 1.00 0.00 H new ATOM 0 HD21 ASN A 71 -9.349 23.626 -13.485 1.00 0.00 H new ATOM 0 HD22 ASN A 71 -10.327 24.568 -14.615 1.00 0.00 H new ATOM 1102 N ALA A 72 -11.761 22.441 -19.396 1.00 0.00 N ATOM 1103 CA ALA A 72 -12.327 22.813 -20.687 1.00 0.00 C ATOM 1104 C ALA A 72 -12.717 24.287 -20.712 1.00 0.00 C ATOM 1105 O ALA A 72 -12.796 24.900 -21.776 1.00 0.00 O ATOM 1106 CB ALA A 72 -13.532 21.941 -21.006 1.00 0.00 C ATOM 0 H ALA A 72 -12.360 21.840 -18.830 1.00 0.00 H new ATOM 0 HA ALA A 72 -11.564 22.653 -21.449 1.00 0.00 H new ATOM 0 HB1 ALA A 72 -13.944 22.230 -21.973 1.00 0.00 H new ATOM 0 HB2 ALA A 72 -13.226 20.895 -21.040 1.00 0.00 H new ATOM 0 HB3 ALA A 72 -14.290 22.072 -20.234 1.00 0.00 H new ATOM 1112 N ASP A 73 -12.959 24.849 -19.533 1.00 0.00 N ATOM 1113 CA ASP A 73 -13.340 26.252 -19.419 1.00 0.00 C ATOM 1114 C ASP A 73 -12.207 27.162 -19.885 1.00 0.00 C ATOM 1115 O ASP A 73 -12.404 28.032 -20.734 1.00 0.00 O ATOM 1116 CB ASP A 73 -13.717 26.585 -17.975 1.00 0.00 C ATOM 1117 CG ASP A 73 -12.726 26.025 -16.974 1.00 0.00 C ATOM 1118 OD1 ASP A 73 -12.710 24.792 -16.782 1.00 0.00 O ATOM 1119 OD2 ASP A 73 -11.967 26.821 -16.382 1.00 0.00 O ATOM 0 H ASP A 73 -12.898 24.355 -18.643 1.00 0.00 H new ATOM 0 HA ASP A 73 -14.205 26.421 -20.060 1.00 0.00 H new ATOM 0 HB2 ASP A 73 -13.775 27.667 -17.858 1.00 0.00 H new ATOM 0 HB3 ASP A 73 -14.709 26.188 -17.761 1.00 0.00 H new ATOM 1124 N LYS A 74 -11.021 26.957 -19.322 1.00 0.00 N ATOM 1125 CA LYS A 74 -9.856 27.758 -19.678 1.00 0.00 C ATOM 1126 C LYS A 74 -8.978 27.023 -20.686 1.00 0.00 C ATOM 1127 O LYS A 74 -7.884 27.478 -21.020 1.00 0.00 O ATOM 1128 CB LYS A 74 -9.042 28.096 -18.427 1.00 0.00 C ATOM 1129 CG LYS A 74 -9.406 29.434 -17.807 1.00 0.00 C ATOM 1130 CD LYS A 74 -10.733 29.364 -17.071 1.00 0.00 C ATOM 1131 CE LYS A 74 -11.203 30.744 -16.637 1.00 0.00 C ATOM 1132 NZ LYS A 74 -12.502 30.685 -15.911 1.00 0.00 N ATOM 0 H LYS A 74 -10.841 26.242 -18.617 1.00 0.00 H new ATOM 0 HA LYS A 74 -10.208 28.683 -20.135 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -9.188 27.310 -17.686 1.00 0.00 H new ATOM 0 HB3 LYS A 74 -7.983 28.100 -18.683 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -8.621 29.741 -17.116 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -9.461 30.194 -18.586 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -11.484 28.909 -17.716 1.00 0.00 H new ATOM 0 HD3 LYS A 74 -10.632 28.721 -16.197 1.00 0.00 H new ATOM 0 HE2 LYS A 74 -10.449 31.199 -15.995 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -11.305 31.385 -17.513 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 -12.788 31.645 -15.632 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -13.228 30.274 -16.532 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 -12.398 30.094 -15.061 1.00 0.00 H new ATOM 1146 N LYS A 75 -9.465 25.885 -21.169 1.00 0.00 N ATOM 1147 CA LYS A 75 -8.727 25.088 -22.141 1.00 0.00 C ATOM 1148 C LYS A 75 -7.305 24.819 -21.657 1.00 0.00 C ATOM 1149 O LYS A 75 -6.336 25.087 -22.368 1.00 0.00 O ATOM 1150 CB LYS A 75 -8.690 25.802 -23.494 1.00 0.00 C ATOM 1151 CG LYS A 75 -10.005 25.737 -24.251 1.00 0.00 C ATOM 1152 CD LYS A 75 -10.910 26.906 -23.898 1.00 0.00 C ATOM 1153 CE LYS A 75 -10.559 28.147 -24.704 1.00 0.00 C ATOM 1154 NZ LYS A 75 -11.234 28.155 -26.032 1.00 0.00 N ATOM 0 H LYS A 75 -10.369 25.494 -20.903 1.00 0.00 H new ATOM 0 HA LYS A 75 -9.240 24.133 -22.255 1.00 0.00 H new ATOM 0 HB2 LYS A 75 -8.422 26.847 -23.337 1.00 0.00 H new ATOM 0 HB3 LYS A 75 -7.905 25.360 -24.107 1.00 0.00 H new ATOM 0 HG2 LYS A 75 -9.809 25.738 -25.323 1.00 0.00 H new ATOM 0 HG3 LYS A 75 -10.513 24.800 -24.021 1.00 0.00 H new ATOM 0 HD2 LYS A 75 -11.949 26.632 -24.084 1.00 0.00 H new ATOM 0 HD3 LYS A 75 -10.824 27.126 -22.834 1.00 0.00 H new ATOM 0 HE2 LYS A 75 -10.847 29.037 -24.145 1.00 0.00 H new ATOM 0 HE3 LYS A 75 -9.479 28.195 -24.845 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 -10.969 29.017 -26.551 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 -10.940 27.319 -26.576 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 -12.265 28.135 -25.897 1.00 0.00 H new ATOM 1168 N LEU A 76 -7.188 24.288 -20.445 1.00 0.00 N ATOM 1169 CA LEU A 76 -5.884 23.982 -19.867 1.00 0.00 C ATOM 1170 C LEU A 76 -5.707 22.477 -19.690 1.00 0.00 C ATOM 1171 O LEU A 76 -6.527 21.816 -19.054 1.00 0.00 O ATOM 1172 CB LEU A 76 -5.723 24.687 -18.520 1.00 0.00 C ATOM 1173 CG LEU A 76 -6.064 26.178 -18.498 1.00 0.00 C ATOM 1174 CD1 LEU A 76 -6.187 26.676 -17.066 1.00 0.00 C ATOM 1175 CD2 LEU A 76 -5.012 26.977 -19.254 1.00 0.00 C ATOM 0 H LEU A 76 -7.980 24.060 -19.844 1.00 0.00 H new ATOM 0 HA LEU A 76 -5.117 24.342 -20.552 1.00 0.00 H new ATOM 0 HB2 LEU A 76 -6.353 24.180 -17.789 1.00 0.00 H new ATOM 0 HB3 LEU A 76 -4.691 24.566 -18.190 1.00 0.00 H new ATOM 0 HG LEU A 76 -7.024 26.319 -18.994 1.00 0.00 H new ATOM 0 HD11 LEU A 76 -6.430 27.739 -17.070 1.00 0.00 H new ATOM 0 HD12 LEU A 76 -6.977 26.125 -16.556 1.00 0.00 H new ATOM 0 HD13 LEU A 76 -5.242 26.522 -16.545 1.00 0.00 H new ATOM 0 HD21 LEU A 76 -5.271 28.036 -19.228 1.00 0.00 H new ATOM 0 HD22 LEU A 76 -4.038 26.830 -18.787 1.00 0.00 H new ATOM 0 HD23 LEU A 76 -4.973 26.638 -20.289 1.00 0.00 H new ATOM 1187 N MET A 77 -4.630 21.942 -20.256 1.00 0.00 N ATOM 1188 CA MET A 77 -4.343 20.516 -20.158 1.00 0.00 C ATOM 1189 C MET A 77 -2.926 20.280 -19.645 1.00 0.00 C ATOM 1190 O MET A 77 -1.956 20.753 -20.236 1.00 0.00 O ATOM 1191 CB MET A 77 -4.524 19.843 -21.520 1.00 0.00 C ATOM 1192 CG MET A 77 -5.970 19.795 -21.987 1.00 0.00 C ATOM 1193 SD MET A 77 -6.437 21.245 -22.951 1.00 0.00 S ATOM 1194 CE MET A 77 -8.147 21.444 -22.456 1.00 0.00 C ATOM 0 H MET A 77 -3.942 22.475 -20.787 1.00 0.00 H new ATOM 0 HA MET A 77 -5.044 20.078 -19.448 1.00 0.00 H new ATOM 0 HB2 MET A 77 -3.929 20.376 -22.261 1.00 0.00 H new ATOM 0 HB3 MET A 77 -4.133 18.827 -21.469 1.00 0.00 H new ATOM 0 HG2 MET A 77 -6.124 18.899 -22.588 1.00 0.00 H new ATOM 0 HG3 MET A 77 -6.625 19.714 -21.120 1.00 0.00 H new ATOM 0 HE1 MET A 77 -8.664 22.076 -23.179 1.00 0.00 H new ATOM 0 HE2 MET A 77 -8.630 20.468 -22.416 1.00 0.00 H new ATOM 0 HE3 MET A 77 -8.189 21.910 -21.471 1.00 0.00 H new ATOM 1204 N SER A 78 -2.815 19.546 -18.542 1.00 0.00 N ATOM 1205 CA SER A 78 -1.517 19.251 -17.948 1.00 0.00 C ATOM 1206 C SER A 78 -1.476 17.823 -17.413 1.00 0.00 C ATOM 1207 O SER A 78 -2.482 17.298 -16.934 1.00 0.00 O ATOM 1208 CB SER A 78 -1.212 20.239 -16.821 1.00 0.00 C ATOM 1209 OG SER A 78 -1.667 21.541 -17.147 1.00 0.00 O ATOM 0 H SER A 78 -3.609 19.145 -18.042 1.00 0.00 H new ATOM 0 HA SER A 78 -0.759 19.351 -18.724 1.00 0.00 H new ATOM 0 HB2 SER A 78 -1.689 19.904 -15.900 1.00 0.00 H new ATOM 0 HB3 SER A 78 -0.138 20.262 -16.634 1.00 0.00 H new ATOM 0 HG SER A 78 -1.462 22.153 -16.410 1.00 0.00 H new ATOM 1215 N VAL A 79 -0.305 17.199 -17.497 1.00 0.00 N ATOM 1216 CA VAL A 79 -0.131 15.832 -17.020 1.00 0.00 C ATOM 1217 C VAL A 79 1.245 15.640 -16.393 1.00 0.00 C ATOM 1218 O VAL A 79 2.265 15.973 -16.996 1.00 0.00 O ATOM 1219 CB VAL A 79 -0.311 14.813 -18.161 1.00 0.00 C ATOM 1220 CG1 VAL A 79 -1.134 13.624 -17.690 1.00 0.00 C ATOM 1221 CG2 VAL A 79 -0.957 15.474 -19.369 1.00 0.00 C ATOM 0 H VAL A 79 0.537 17.619 -17.891 1.00 0.00 H new ATOM 0 HA VAL A 79 -0.898 15.660 -16.265 1.00 0.00 H new ATOM 0 HB VAL A 79 0.673 14.449 -18.458 1.00 0.00 H new ATOM 0 HG11 VAL A 79 -1.251 12.915 -18.509 1.00 0.00 H new ATOM 0 HG12 VAL A 79 -0.626 13.137 -16.858 1.00 0.00 H new ATOM 0 HG13 VAL A 79 -2.116 13.967 -17.365 1.00 0.00 H new ATOM 0 HG21 VAL A 79 -1.076 14.739 -20.165 1.00 0.00 H new ATOM 0 HG22 VAL A 79 -1.934 15.868 -19.089 1.00 0.00 H new ATOM 0 HG23 VAL A 79 -0.324 16.289 -19.720 1.00 0.00 H new ATOM 1231 N SER A 80 1.266 15.099 -15.179 1.00 0.00 N ATOM 1232 CA SER A 80 2.517 14.865 -14.468 1.00 0.00 C ATOM 1233 C SER A 80 2.433 13.598 -13.623 1.00 0.00 C ATOM 1234 O SER A 80 1.689 13.540 -12.643 1.00 0.00 O ATOM 1235 CB SER A 80 2.856 16.063 -13.579 1.00 0.00 C ATOM 1236 OG SER A 80 4.253 16.300 -13.552 1.00 0.00 O ATOM 0 H SER A 80 0.431 14.815 -14.667 1.00 0.00 H new ATOM 0 HA SER A 80 3.307 14.736 -15.208 1.00 0.00 H new ATOM 0 HB2 SER A 80 2.341 16.950 -13.947 1.00 0.00 H new ATOM 0 HB3 SER A 80 2.495 15.882 -12.567 1.00 0.00 H new ATOM 0 HG SER A 80 4.443 17.072 -12.978 1.00 0.00 H new ATOM 1242 N PHE A 81 3.201 12.584 -14.009 1.00 0.00 N ATOM 1243 CA PHE A 81 3.213 11.317 -13.288 1.00 0.00 C ATOM 1244 C PHE A 81 4.582 11.058 -12.666 1.00 0.00 C ATOM 1245 O PHE A 81 5.595 11.584 -13.127 1.00 0.00 O ATOM 1246 CB PHE A 81 2.842 10.167 -14.228 1.00 0.00 C ATOM 1247 CG PHE A 81 1.534 10.372 -14.937 1.00 0.00 C ATOM 1248 CD1 PHE A 81 0.461 10.958 -14.286 1.00 0.00 C ATOM 1249 CD2 PHE A 81 1.377 9.977 -16.256 1.00 0.00 C ATOM 1250 CE1 PHE A 81 -0.744 11.148 -14.936 1.00 0.00 C ATOM 1251 CE2 PHE A 81 0.175 10.164 -16.912 1.00 0.00 C ATOM 1252 CZ PHE A 81 -0.887 10.750 -16.250 1.00 0.00 C ATOM 0 H PHE A 81 3.823 12.615 -14.817 1.00 0.00 H new ATOM 0 HA PHE A 81 2.475 11.376 -12.488 1.00 0.00 H new ATOM 0 HB2 PHE A 81 3.632 10.044 -14.968 1.00 0.00 H new ATOM 0 HB3 PHE A 81 2.795 9.241 -13.655 1.00 0.00 H new ATOM 0 HD1 PHE A 81 0.567 11.270 -13.258 1.00 0.00 H new ATOM 0 HD2 PHE A 81 2.204 9.518 -16.777 1.00 0.00 H new ATOM 0 HE1 PHE A 81 -1.572 11.607 -14.417 1.00 0.00 H new ATOM 0 HE2 PHE A 81 0.066 9.853 -17.940 1.00 0.00 H new ATOM 0 HZ PHE A 81 -1.828 10.896 -16.760 1.00 0.00 H new ATOM 1262 N SER A 82 4.603 10.245 -11.614 1.00 0.00 N ATOM 1263 CA SER A 82 5.847 9.920 -10.925 1.00 0.00 C ATOM 1264 C SER A 82 6.209 8.451 -11.123 1.00 0.00 C ATOM 1265 O SER A 82 5.440 7.557 -10.768 1.00 0.00 O ATOM 1266 CB SER A 82 5.723 10.230 -9.432 1.00 0.00 C ATOM 1267 OG SER A 82 6.901 10.843 -8.939 1.00 0.00 O ATOM 0 H SER A 82 3.774 9.800 -11.221 1.00 0.00 H new ATOM 0 HA SER A 82 6.641 10.533 -11.351 1.00 0.00 H new ATOM 0 HB2 SER A 82 4.870 10.887 -9.263 1.00 0.00 H new ATOM 0 HB3 SER A 82 5.530 9.309 -8.881 1.00 0.00 H new ATOM 0 HG SER A 82 6.796 11.033 -7.983 1.00 0.00 H new ATOM 1273 N ASP A 83 7.385 8.210 -11.692 1.00 0.00 N ATOM 1274 CA ASP A 83 7.851 6.850 -11.937 1.00 0.00 C ATOM 1275 C ASP A 83 6.934 6.130 -12.920 1.00 0.00 C ATOM 1276 O ASP A 83 6.090 5.326 -12.523 1.00 0.00 O ATOM 1277 CB ASP A 83 7.925 6.069 -10.624 1.00 0.00 C ATOM 1278 CG ASP A 83 8.858 4.878 -10.710 1.00 0.00 C ATOM 1279 OD1 ASP A 83 10.075 5.089 -10.896 1.00 0.00 O ATOM 1280 OD2 ASP A 83 8.372 3.734 -10.591 1.00 0.00 O ATOM 0 H ASP A 83 8.033 8.938 -11.992 1.00 0.00 H new ATOM 0 HA ASP A 83 8.848 6.907 -12.373 1.00 0.00 H new ATOM 0 HB2 ASP A 83 8.261 6.733 -9.828 1.00 0.00 H new ATOM 0 HB3 ASP A 83 6.927 5.726 -10.352 1.00 0.00 H new ATOM 1285 N ILE A 84 7.106 6.424 -14.205 1.00 0.00 N ATOM 1286 CA ILE A 84 6.294 5.804 -15.245 1.00 0.00 C ATOM 1287 C ILE A 84 7.169 5.172 -16.322 1.00 0.00 C ATOM 1288 O ILE A 84 8.267 5.651 -16.605 1.00 0.00 O ATOM 1289 CB ILE A 84 5.347 6.825 -15.902 1.00 0.00 C ATOM 1290 CG1 ILE A 84 6.148 7.976 -16.515 1.00 0.00 C ATOM 1291 CG2 ILE A 84 4.346 7.352 -14.884 1.00 0.00 C ATOM 1292 CD1 ILE A 84 5.691 8.356 -17.906 1.00 0.00 C ATOM 0 H ILE A 84 7.800 7.087 -14.550 1.00 0.00 H new ATOM 0 HA ILE A 84 5.700 5.028 -14.762 1.00 0.00 H new ATOM 0 HB ILE A 84 4.796 6.326 -16.699 1.00 0.00 H new ATOM 0 HG12 ILE A 84 6.071 8.848 -15.865 1.00 0.00 H new ATOM 0 HG13 ILE A 84 7.201 7.697 -16.551 1.00 0.00 H new ATOM 0 HG21 ILE A 84 3.684 8.073 -15.364 1.00 0.00 H new ATOM 0 HG22 ILE A 84 3.757 6.524 -14.491 1.00 0.00 H new ATOM 0 HG23 ILE A 84 4.879 7.838 -14.067 1.00 0.00 H new ATOM 0 HD11 ILE A 84 6.303 9.178 -18.278 1.00 0.00 H new ATOM 0 HD12 ILE A 84 5.794 7.498 -18.570 1.00 0.00 H new ATOM 0 HD13 ILE A 84 4.647 8.667 -17.874 1.00 0.00 H new ATOM 1304 N ASP A 85 6.674 4.094 -16.920 1.00 0.00 N ATOM 1305 CA ASP A 85 7.409 3.397 -17.969 1.00 0.00 C ATOM 1306 C ASP A 85 7.851 4.367 -19.060 1.00 0.00 C ATOM 1307 O ASP A 85 7.256 5.430 -19.236 1.00 0.00 O ATOM 1308 CB ASP A 85 6.548 2.287 -18.574 1.00 0.00 C ATOM 1309 CG ASP A 85 6.584 1.014 -17.753 1.00 0.00 C ATOM 1310 OD1 ASP A 85 5.837 0.929 -16.755 1.00 0.00 O ATOM 1311 OD2 ASP A 85 7.359 0.101 -18.108 1.00 0.00 O ATOM 0 H ASP A 85 5.767 3.684 -16.696 1.00 0.00 H new ATOM 0 HA ASP A 85 8.298 2.953 -17.521 1.00 0.00 H new ATOM 0 HB2 ASP A 85 5.518 2.634 -18.656 1.00 0.00 H new ATOM 0 HB3 ASP A 85 6.894 2.073 -19.585 1.00 0.00 H new ATOM 1316 N GLU A 86 8.898 3.994 -19.790 1.00 0.00 N ATOM 1317 CA GLU A 86 9.419 4.832 -20.862 1.00 0.00 C ATOM 1318 C GLU A 86 8.510 4.778 -22.086 1.00 0.00 C ATOM 1319 O GLU A 86 7.977 5.798 -22.523 1.00 0.00 O ATOM 1320 CB GLU A 86 10.833 4.390 -21.244 1.00 0.00 C ATOM 1321 CG GLU A 86 11.707 4.047 -20.049 1.00 0.00 C ATOM 1322 CD GLU A 86 13.161 4.419 -20.264 1.00 0.00 C ATOM 1323 OE1 GLU A 86 13.789 3.851 -21.183 1.00 0.00 O ATOM 1324 OE2 GLU A 86 13.672 5.277 -19.514 1.00 0.00 O ATOM 0 H GLU A 86 9.401 3.117 -19.658 1.00 0.00 H new ATOM 0 HA GLU A 86 9.452 5.860 -20.501 1.00 0.00 H new ATOM 0 HB2 GLU A 86 10.769 3.520 -21.898 1.00 0.00 H new ATOM 0 HB3 GLU A 86 11.311 5.185 -21.817 1.00 0.00 H new ATOM 0 HG2 GLU A 86 11.330 4.565 -19.167 1.00 0.00 H new ATOM 0 HG3 GLU A 86 11.635 2.978 -19.846 1.00 0.00 H new ATOM 1331 N ASN A 87 8.338 3.580 -22.636 1.00 0.00 N ATOM 1332 CA ASN A 87 7.494 3.392 -23.811 1.00 0.00 C ATOM 1333 C ASN A 87 6.076 3.890 -23.547 1.00 0.00 C ATOM 1334 O ASN A 87 5.407 4.396 -24.448 1.00 0.00 O ATOM 1335 CB ASN A 87 7.462 1.916 -24.210 1.00 0.00 C ATOM 1336 CG ASN A 87 7.435 1.725 -25.715 1.00 0.00 C ATOM 1337 OD1 ASN A 87 6.395 1.409 -26.293 1.00 0.00 O ATOM 1338 ND2 ASN A 87 8.582 1.915 -26.356 1.00 0.00 N ATOM 0 H ASN A 87 8.772 2.725 -22.287 1.00 0.00 H new ATOM 0 HA ASN A 87 7.918 3.974 -24.630 1.00 0.00 H new ATOM 0 HB2 ASN A 87 8.336 1.412 -23.798 1.00 0.00 H new ATOM 0 HB3 ASN A 87 6.584 1.442 -23.770 1.00 0.00 H new ATOM 0 HD21 ASN A 87 8.626 1.800 -27.369 1.00 0.00 H new ATOM 0 HD22 ASN A 87 9.420 2.176 -25.836 1.00 0.00 H new ATOM 1345 N MET A 88 5.624 3.743 -22.306 1.00 0.00 N ATOM 1346 CA MET A 88 4.286 4.179 -21.923 1.00 0.00 C ATOM 1347 C MET A 88 4.157 5.696 -22.031 1.00 0.00 C ATOM 1348 O MET A 88 3.106 6.214 -22.408 1.00 0.00 O ATOM 1349 CB MET A 88 3.968 3.729 -20.496 1.00 0.00 C ATOM 1350 CG MET A 88 2.482 3.560 -20.229 1.00 0.00 C ATOM 1351 SD MET A 88 1.979 1.830 -20.169 1.00 0.00 S ATOM 1352 CE MET A 88 1.276 1.624 -21.803 1.00 0.00 C ATOM 0 H MET A 88 6.164 3.325 -21.548 1.00 0.00 H new ATOM 0 HA MET A 88 3.572 3.721 -22.608 1.00 0.00 H new ATOM 0 HB2 MET A 88 4.474 2.783 -20.301 1.00 0.00 H new ATOM 0 HB3 MET A 88 4.374 4.458 -19.795 1.00 0.00 H new ATOM 0 HG2 MET A 88 2.230 4.041 -19.284 1.00 0.00 H new ATOM 0 HG3 MET A 88 1.916 4.072 -21.008 1.00 0.00 H new ATOM 0 HE1 MET A 88 0.193 1.528 -21.724 1.00 0.00 H new ATOM 0 HE2 MET A 88 1.519 2.492 -22.416 1.00 0.00 H new ATOM 0 HE3 MET A 88 1.687 0.727 -22.266 1.00 0.00 H new ATOM 1362 N LYS A 89 5.232 6.402 -21.698 1.00 0.00 N ATOM 1363 CA LYS A 89 5.241 7.858 -21.758 1.00 0.00 C ATOM 1364 C LYS A 89 4.890 8.347 -23.159 1.00 0.00 C ATOM 1365 O LYS A 89 4.203 9.356 -23.323 1.00 0.00 O ATOM 1366 CB LYS A 89 6.612 8.399 -21.346 1.00 0.00 C ATOM 1367 CG LYS A 89 6.574 9.828 -20.834 1.00 0.00 C ATOM 1368 CD LYS A 89 7.884 10.218 -20.171 1.00 0.00 C ATOM 1369 CE LYS A 89 8.997 10.391 -21.194 1.00 0.00 C ATOM 1370 NZ LYS A 89 10.340 10.144 -20.599 1.00 0.00 N ATOM 0 H LYS A 89 6.110 5.988 -21.383 1.00 0.00 H new ATOM 0 HA LYS A 89 4.488 8.229 -21.063 1.00 0.00 H new ATOM 0 HB2 LYS A 89 7.029 7.756 -20.571 1.00 0.00 H new ATOM 0 HB3 LYS A 89 7.286 8.346 -22.201 1.00 0.00 H new ATOM 0 HG2 LYS A 89 6.368 10.507 -21.662 1.00 0.00 H new ATOM 0 HG3 LYS A 89 5.757 9.938 -20.121 1.00 0.00 H new ATOM 0 HD2 LYS A 89 7.750 11.147 -19.617 1.00 0.00 H new ATOM 0 HD3 LYS A 89 8.169 9.454 -19.448 1.00 0.00 H new ATOM 0 HE2 LYS A 89 8.836 9.705 -22.025 1.00 0.00 H new ATOM 0 HE3 LYS A 89 8.961 11.401 -21.603 1.00 0.00 H new ATOM 0 HZ1 LYS A 89 11.071 10.272 -21.327 1.00 0.00 H new ATOM 0 HZ2 LYS A 89 10.504 10.815 -19.822 1.00 0.00 H new ATOM 0 HZ3 LYS A 89 10.383 9.172 -20.232 1.00 0.00 H new ATOM 1384 N LYS A 90 5.364 7.625 -24.169 1.00 0.00 N ATOM 1385 CA LYS A 90 5.099 7.983 -25.557 1.00 0.00 C ATOM 1386 C LYS A 90 3.600 7.984 -25.842 1.00 0.00 C ATOM 1387 O LYS A 90 3.047 8.981 -26.308 1.00 0.00 O ATOM 1388 CB LYS A 90 5.806 7.008 -26.501 1.00 0.00 C ATOM 1389 CG LYS A 90 7.270 7.342 -26.734 1.00 0.00 C ATOM 1390 CD LYS A 90 8.131 6.931 -25.551 1.00 0.00 C ATOM 1391 CE LYS A 90 9.594 6.803 -25.945 1.00 0.00 C ATOM 1392 NZ LYS A 90 9.858 5.547 -26.700 1.00 0.00 N ATOM 0 H LYS A 90 5.934 6.788 -24.052 1.00 0.00 H new ATOM 0 HA LYS A 90 5.485 8.988 -25.726 1.00 0.00 H new ATOM 0 HB2 LYS A 90 5.732 6.001 -26.091 1.00 0.00 H new ATOM 0 HB3 LYS A 90 5.286 7.001 -27.459 1.00 0.00 H new ATOM 0 HG2 LYS A 90 7.621 6.836 -27.634 1.00 0.00 H new ATOM 0 HG3 LYS A 90 7.377 8.413 -26.908 1.00 0.00 H new ATOM 0 HD2 LYS A 90 8.031 7.667 -24.753 1.00 0.00 H new ATOM 0 HD3 LYS A 90 7.775 5.980 -25.154 1.00 0.00 H new ATOM 0 HE2 LYS A 90 9.882 7.660 -26.554 1.00 0.00 H new ATOM 0 HE3 LYS A 90 10.215 6.825 -25.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 10.884 5.422 -26.817 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 9.468 4.738 -26.175 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 9.407 5.603 -27.635 1.00 0.00 H new ATOM 1406 N VAL A 91 2.947 6.862 -25.557 1.00 0.00 N ATOM 1407 CA VAL A 91 1.511 6.736 -25.779 1.00 0.00 C ATOM 1408 C VAL A 91 0.740 7.803 -25.012 1.00 0.00 C ATOM 1409 O VAL A 91 -0.027 8.569 -25.596 1.00 0.00 O ATOM 1410 CB VAL A 91 0.999 5.345 -25.359 1.00 0.00 C ATOM 1411 CG1 VAL A 91 -0.479 5.198 -25.690 1.00 0.00 C ATOM 1412 CG2 VAL A 91 1.815 4.251 -26.031 1.00 0.00 C ATOM 0 H VAL A 91 3.389 6.027 -25.172 1.00 0.00 H new ATOM 0 HA VAL A 91 1.343 6.870 -26.848 1.00 0.00 H new ATOM 0 HB VAL A 91 1.118 5.244 -24.280 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -0.823 4.209 -25.386 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.049 5.960 -25.158 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -0.625 5.319 -26.763 1.00 0.00 H new ATOM 0 HG21 VAL A 91 1.439 3.275 -25.723 1.00 0.00 H new ATOM 0 HG22 VAL A 91 1.730 4.347 -27.113 1.00 0.00 H new ATOM 0 HG23 VAL A 91 2.861 4.346 -25.739 1.00 0.00 H new ATOM 1422 N ILE A 92 0.948 7.847 -23.700 1.00 0.00 N ATOM 1423 CA ILE A 92 0.273 8.822 -22.852 1.00 0.00 C ATOM 1424 C ILE A 92 0.502 10.243 -23.358 1.00 0.00 C ATOM 1425 O ILE A 92 -0.439 11.025 -23.492 1.00 0.00 O ATOM 1426 CB ILE A 92 0.753 8.726 -21.392 1.00 0.00 C ATOM 1427 CG1 ILE A 92 0.515 7.317 -20.846 1.00 0.00 C ATOM 1428 CG2 ILE A 92 0.042 9.760 -20.532 1.00 0.00 C ATOM 1429 CD1 ILE A 92 1.002 7.129 -19.426 1.00 0.00 C ATOM 0 H ILE A 92 1.578 7.219 -23.201 1.00 0.00 H new ATOM 0 HA ILE A 92 -0.792 8.591 -22.892 1.00 0.00 H new ATOM 0 HB ILE A 92 1.823 8.931 -21.362 1.00 0.00 H new ATOM 0 HG12 ILE A 92 -0.551 7.095 -20.888 1.00 0.00 H new ATOM 0 HG13 ILE A 92 1.016 6.596 -21.492 1.00 0.00 H new ATOM 0 HG21 ILE A 92 0.392 9.680 -19.503 1.00 0.00 H new ATOM 0 HG22 ILE A 92 0.257 10.759 -20.912 1.00 0.00 H new ATOM 0 HG23 ILE A 92 -1.033 9.583 -20.565 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.801 6.107 -19.105 1.00 0.00 H new ATOM 0 HD12 ILE A 92 2.074 7.319 -19.381 1.00 0.00 H new ATOM 0 HD13 ILE A 92 0.482 7.825 -18.768 1.00 0.00 H new ATOM 1441 N LYS A 93 1.759 10.569 -23.640 1.00 0.00 N ATOM 1442 CA LYS A 93 2.113 11.894 -24.135 1.00 0.00 C ATOM 1443 C LYS A 93 1.350 12.219 -25.414 1.00 0.00 C ATOM 1444 O LYS A 93 0.898 13.347 -25.609 1.00 0.00 O ATOM 1445 CB LYS A 93 3.620 11.979 -24.391 1.00 0.00 C ATOM 1446 CG LYS A 93 4.057 13.293 -25.015 1.00 0.00 C ATOM 1447 CD LYS A 93 5.565 13.354 -25.188 1.00 0.00 C ATOM 1448 CE LYS A 93 6.005 14.682 -25.783 1.00 0.00 C ATOM 1449 NZ LYS A 93 6.230 15.714 -24.733 1.00 0.00 N ATOM 0 H LYS A 93 2.550 9.933 -23.534 1.00 0.00 H new ATOM 0 HA LYS A 93 1.838 12.624 -23.374 1.00 0.00 H new ATOM 0 HB2 LYS A 93 4.149 11.841 -23.448 1.00 0.00 H new ATOM 0 HB3 LYS A 93 3.916 11.159 -25.046 1.00 0.00 H new ATOM 0 HG2 LYS A 93 3.573 13.415 -25.984 1.00 0.00 H new ATOM 0 HG3 LYS A 93 3.728 14.122 -24.388 1.00 0.00 H new ATOM 0 HD2 LYS A 93 6.049 13.209 -24.222 1.00 0.00 H new ATOM 0 HD3 LYS A 93 5.891 12.539 -25.834 1.00 0.00 H new ATOM 0 HE2 LYS A 93 6.923 14.538 -26.353 1.00 0.00 H new ATOM 0 HE3 LYS A 93 5.247 15.035 -26.483 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 6.278 16.654 -25.175 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 5.446 15.692 -24.050 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 7.124 15.518 -24.239 1.00 0.00 H new ATOM 1463 N ALA A 94 1.208 11.223 -26.283 1.00 0.00 N ATOM 1464 CA ALA A 94 0.496 11.403 -27.542 1.00 0.00 C ATOM 1465 C ALA A 94 -0.969 11.747 -27.300 1.00 0.00 C ATOM 1466 O ALA A 94 -1.494 12.708 -27.863 1.00 0.00 O ATOM 1467 CB ALA A 94 0.612 10.150 -28.397 1.00 0.00 C ATOM 0 H ALA A 94 1.577 10.283 -26.138 1.00 0.00 H new ATOM 0 HA ALA A 94 0.954 12.237 -28.074 1.00 0.00 H new ATOM 0 HB1 ALA A 94 0.076 10.298 -29.334 1.00 0.00 H new ATOM 0 HB2 ALA A 94 1.662 9.949 -28.608 1.00 0.00 H new ATOM 0 HB3 ALA A 94 0.181 9.304 -27.862 1.00 0.00 H new ATOM 1473 N THR A 95 -1.627 10.955 -26.458 1.00 0.00 N ATOM 1474 CA THR A 95 -3.033 11.175 -26.143 1.00 0.00 C ATOM 1475 C THR A 95 -3.245 12.540 -25.500 1.00 0.00 C ATOM 1476 O THR A 95 -4.252 13.204 -25.747 1.00 0.00 O ATOM 1477 CB THR A 95 -3.574 10.085 -25.198 1.00 0.00 C ATOM 1478 OG1 THR A 95 -3.465 8.800 -25.819 1.00 0.00 O ATOM 1479 CG2 THR A 95 -5.025 10.357 -24.833 1.00 0.00 C ATOM 0 H THR A 95 -1.208 10.156 -25.982 1.00 0.00 H new ATOM 0 HA THR A 95 -3.579 11.132 -27.086 1.00 0.00 H new ATOM 0 HB THR A 95 -2.978 10.098 -24.285 1.00 0.00 H new ATOM 0 HG1 THR A 95 -3.809 8.113 -25.211 1.00 0.00 H new ATOM 0 HG21 THR A 95 -5.385 9.574 -24.165 1.00 0.00 H new ATOM 0 HG22 THR A 95 -5.100 11.323 -24.333 1.00 0.00 H new ATOM 0 HG23 THR A 95 -5.632 10.369 -25.738 1.00 0.00 H new ATOM 1487 N ALA A 96 -2.290 12.955 -24.674 1.00 0.00 N ATOM 1488 CA ALA A 96 -2.372 14.244 -23.998 1.00 0.00 C ATOM 1489 C ALA A 96 -2.080 15.389 -24.961 1.00 0.00 C ATOM 1490 O ALA A 96 -2.619 16.486 -24.817 1.00 0.00 O ATOM 1491 CB ALA A 96 -1.410 14.284 -22.820 1.00 0.00 C ATOM 0 H ALA A 96 -1.451 12.417 -24.457 1.00 0.00 H new ATOM 0 HA ALA A 96 -3.389 14.367 -23.627 1.00 0.00 H new ATOM 0 HB1 ALA A 96 -1.482 15.252 -22.324 1.00 0.00 H new ATOM 0 HB2 ALA A 96 -1.667 13.495 -22.113 1.00 0.00 H new ATOM 0 HB3 ALA A 96 -0.391 14.134 -23.177 1.00 0.00 H new ATOM 1497 N GLU A 97 -1.223 15.127 -25.943 1.00 0.00 N ATOM 1498 CA GLU A 97 -0.858 16.137 -26.929 1.00 0.00 C ATOM 1499 C GLU A 97 -1.997 16.368 -27.918 1.00 0.00 C ATOM 1500 O GLU A 97 -2.209 17.485 -28.390 1.00 0.00 O ATOM 1501 CB GLU A 97 0.407 15.717 -27.680 1.00 0.00 C ATOM 1502 CG GLU A 97 1.200 16.886 -28.238 1.00 0.00 C ATOM 1503 CD GLU A 97 1.986 16.517 -29.482 1.00 0.00 C ATOM 1504 OE1 GLU A 97 1.510 15.656 -30.251 1.00 0.00 O ATOM 1505 OE2 GLU A 97 3.077 17.089 -29.685 1.00 0.00 O ATOM 0 H GLU A 97 -0.769 14.224 -26.077 1.00 0.00 H new ATOM 0 HA GLU A 97 -0.664 17.070 -26.400 1.00 0.00 H new ATOM 0 HB2 GLU A 97 1.045 15.144 -27.007 1.00 0.00 H new ATOM 0 HB3 GLU A 97 0.130 15.053 -28.499 1.00 0.00 H new ATOM 0 HG2 GLU A 97 0.518 17.704 -28.473 1.00 0.00 H new ATOM 0 HG3 GLU A 97 1.886 17.252 -27.474 1.00 0.00 H new ATOM 1512 N LYS A 98 -2.729 15.303 -28.227 1.00 0.00 N ATOM 1513 CA LYS A 98 -3.847 15.387 -29.159 1.00 0.00 C ATOM 1514 C LYS A 98 -4.839 16.461 -28.724 1.00 0.00 C ATOM 1515 O LYS A 98 -5.551 17.033 -29.549 1.00 0.00 O ATOM 1516 CB LYS A 98 -4.556 14.034 -29.261 1.00 0.00 C ATOM 1517 CG LYS A 98 -3.669 12.921 -29.793 1.00 0.00 C ATOM 1518 CD LYS A 98 -4.044 12.543 -31.216 1.00 0.00 C ATOM 1519 CE LYS A 98 -3.156 13.245 -32.232 1.00 0.00 C ATOM 1520 NZ LYS A 98 -1.775 12.688 -32.241 1.00 0.00 N ATOM 0 H LYS A 98 -2.568 14.371 -27.845 1.00 0.00 H new ATOM 0 HA LYS A 98 -3.451 15.658 -30.138 1.00 0.00 H new ATOM 0 HB2 LYS A 98 -4.927 13.752 -28.275 1.00 0.00 H new ATOM 0 HB3 LYS A 98 -5.425 14.137 -29.911 1.00 0.00 H new ATOM 0 HG2 LYS A 98 -2.627 13.239 -29.762 1.00 0.00 H new ATOM 0 HG3 LYS A 98 -3.755 12.046 -29.148 1.00 0.00 H new ATOM 0 HD2 LYS A 98 -3.959 11.464 -31.341 1.00 0.00 H new ATOM 0 HD3 LYS A 98 -5.086 12.804 -31.400 1.00 0.00 H new ATOM 0 HE2 LYS A 98 -3.593 13.147 -33.226 1.00 0.00 H new ATOM 0 HE3 LYS A 98 -3.116 14.310 -32.005 1.00 0.00 H new ATOM 0 HZ1 LYS A 98 -1.296 12.961 -33.123 1.00 0.00 H new ATOM 0 HZ2 LYS A 98 -1.244 13.063 -31.429 1.00 0.00 H new ATOM 0 HZ3 LYS A 98 -1.819 11.651 -32.177 1.00 0.00 H new ATOM 1534 N PHE A 99 -4.879 16.730 -27.423 1.00 0.00 N ATOM 1535 CA PHE A 99 -5.783 17.736 -26.878 1.00 0.00 C ATOM 1536 C PHE A 99 -5.554 19.090 -27.544 1.00 0.00 C ATOM 1537 O PHE A 99 -6.442 19.944 -27.563 1.00 0.00 O ATOM 1538 CB PHE A 99 -5.590 17.860 -25.365 1.00 0.00 C ATOM 1539 CG PHE A 99 -6.409 16.880 -24.575 1.00 0.00 C ATOM 1540 CD1 PHE A 99 -5.986 15.570 -24.419 1.00 0.00 C ATOM 1541 CD2 PHE A 99 -7.602 17.269 -23.988 1.00 0.00 C ATOM 1542 CE1 PHE A 99 -6.737 14.666 -23.692 1.00 0.00 C ATOM 1543 CE2 PHE A 99 -8.357 16.369 -23.259 1.00 0.00 C ATOM 1544 CZ PHE A 99 -7.925 15.066 -23.112 1.00 0.00 C ATOM 0 H PHE A 99 -4.296 16.265 -26.727 1.00 0.00 H new ATOM 0 HA PHE A 99 -6.806 17.418 -27.082 1.00 0.00 H new ATOM 0 HB2 PHE A 99 -4.536 17.715 -25.128 1.00 0.00 H new ATOM 0 HB3 PHE A 99 -5.850 18.872 -25.055 1.00 0.00 H new ATOM 0 HD1 PHE A 99 -5.058 15.251 -24.871 1.00 0.00 H new ATOM 0 HD2 PHE A 99 -7.946 18.286 -24.101 1.00 0.00 H new ATOM 0 HE1 PHE A 99 -6.395 13.648 -23.577 1.00 0.00 H new ATOM 0 HE2 PHE A 99 -9.284 16.685 -22.805 1.00 0.00 H new ATOM 0 HZ PHE A 99 -8.515 14.361 -22.545 1.00 0.00 H new ATOM 1554 N LYS A 100 -4.358 19.281 -28.088 1.00 0.00 N ATOM 1555 CA LYS A 100 -4.010 20.529 -28.756 1.00 0.00 C ATOM 1556 C LYS A 100 -5.085 20.925 -29.763 1.00 0.00 C ATOM 1557 O LYS A 100 -5.320 22.109 -30.001 1.00 0.00 O ATOM 1558 CB LYS A 100 -2.659 20.395 -29.463 1.00 0.00 C ATOM 1559 CG LYS A 100 -2.697 19.490 -30.682 1.00 0.00 C ATOM 1560 CD LYS A 100 -1.386 19.531 -31.448 1.00 0.00 C ATOM 1561 CE LYS A 100 -0.254 18.902 -30.650 1.00 0.00 C ATOM 1562 NZ LYS A 100 0.815 18.362 -31.535 1.00 0.00 N ATOM 0 H LYS A 100 -3.612 18.586 -28.079 1.00 0.00 H new ATOM 0 HA LYS A 100 -3.940 21.310 -27.998 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -2.318 21.385 -29.766 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -1.925 20.007 -28.756 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -2.905 18.467 -30.370 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -3.512 19.796 -31.338 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -1.501 19.005 -32.396 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -1.134 20.565 -31.686 1.00 0.00 H new ATOM 0 HE2 LYS A 100 0.173 19.646 -29.977 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -0.650 18.099 -30.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 1.746 18.567 -31.119 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 0.698 17.333 -31.633 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 0.748 18.808 -32.472 1.00 0.00 H new ATOM 1576 N ASN A 101 -5.736 19.926 -30.351 1.00 0.00 N ATOM 1577 CA ASN A 101 -6.787 20.171 -31.332 1.00 0.00 C ATOM 1578 C ASN A 101 -7.840 21.123 -30.774 1.00 0.00 C ATOM 1579 O ASN A 101 -8.352 21.987 -31.487 1.00 0.00 O ATOM 1580 CB ASN A 101 -7.443 18.852 -31.746 1.00 0.00 C ATOM 1581 CG ASN A 101 -6.595 18.068 -32.729 1.00 0.00 C ATOM 1582 OD1 ASN A 101 -5.874 18.646 -33.542 1.00 0.00 O ATOM 1583 ND2 ASN A 101 -6.680 16.745 -32.659 1.00 0.00 N ATOM 0 H ASN A 101 -5.554 18.940 -30.165 1.00 0.00 H new ATOM 0 HA ASN A 101 -6.333 20.634 -32.208 1.00 0.00 H new ATOM 0 HB2 ASN A 101 -7.622 18.244 -30.859 1.00 0.00 H new ATOM 0 HB3 ASN A 101 -8.416 19.058 -32.193 1.00 0.00 H new ATOM 0 HD21 ASN A 101 -6.134 16.164 -33.296 1.00 0.00 H new ATOM 0 HD22 ASN A 101 -7.291 16.309 -31.969 1.00 0.00 H new ATOM 1590 N LYS A 102 -8.161 20.959 -29.495 1.00 0.00 N ATOM 1591 CA LYS A 102 -9.152 21.804 -28.840 1.00 0.00 C ATOM 1592 C LYS A 102 -8.586 22.415 -27.562 1.00 0.00 C ATOM 1593 O LYS A 102 -9.328 22.746 -26.639 1.00 0.00 O ATOM 1594 CB LYS A 102 -10.409 20.994 -28.516 1.00 0.00 C ATOM 1595 CG LYS A 102 -10.208 19.974 -27.409 1.00 0.00 C ATOM 1596 CD LYS A 102 -11.519 19.317 -27.011 1.00 0.00 C ATOM 1597 CE LYS A 102 -12.214 20.087 -25.899 1.00 0.00 C ATOM 1598 NZ LYS A 102 -11.527 19.912 -24.589 1.00 0.00 N ATOM 0 H LYS A 102 -7.749 20.248 -28.891 1.00 0.00 H new ATOM 0 HA LYS A 102 -9.413 22.611 -29.524 1.00 0.00 H new ATOM 0 HB2 LYS A 102 -11.207 21.678 -28.228 1.00 0.00 H new ATOM 0 HB3 LYS A 102 -10.741 20.479 -29.417 1.00 0.00 H new ATOM 0 HG2 LYS A 102 -9.503 19.211 -27.740 1.00 0.00 H new ATOM 0 HG3 LYS A 102 -9.766 20.461 -26.540 1.00 0.00 H new ATOM 0 HD2 LYS A 102 -12.176 19.258 -27.879 1.00 0.00 H new ATOM 0 HD3 LYS A 102 -11.330 18.295 -26.684 1.00 0.00 H new ATOM 0 HE2 LYS A 102 -12.244 21.146 -26.155 1.00 0.00 H new ATOM 0 HE3 LYS A 102 -13.247 19.750 -25.815 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 -12.214 20.034 -23.818 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 -11.115 18.958 -24.538 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 -10.772 20.621 -24.496 1.00 0.00 H new ATOM 1612 N GLY A 103 -7.265 22.564 -27.517 1.00 0.00 N ATOM 1613 CA GLY A 103 -6.622 23.136 -26.348 1.00 0.00 C ATOM 1614 C GLY A 103 -5.115 23.206 -26.491 1.00 0.00 C ATOM 1615 O GLY A 103 -4.397 22.328 -26.013 1.00 0.00 O ATOM 0 H GLY A 103 -6.629 22.299 -28.269 1.00 0.00 H new ATOM 0 HA2 GLY A 103 -7.014 24.138 -26.175 1.00 0.00 H new ATOM 0 HA3 GLY A 103 -6.873 22.540 -25.471 1.00 0.00 H new ATOM 1619 N PHE A 104 -4.633 24.253 -27.153 1.00 0.00 N ATOM 1620 CA PHE A 104 -3.201 24.433 -27.361 1.00 0.00 C ATOM 1621 C PHE A 104 -2.441 24.309 -26.043 1.00 0.00 C ATOM 1622 O PHE A 104 -1.290 23.873 -26.016 1.00 0.00 O ATOM 1623 CB PHE A 104 -2.923 25.797 -27.996 1.00 0.00 C ATOM 1624 CG PHE A 104 -3.498 25.943 -29.376 1.00 0.00 C ATOM 1625 CD1 PHE A 104 -3.054 25.140 -30.414 1.00 0.00 C ATOM 1626 CD2 PHE A 104 -4.481 26.884 -29.636 1.00 0.00 C ATOM 1627 CE1 PHE A 104 -3.581 25.271 -31.686 1.00 0.00 C ATOM 1628 CE2 PHE A 104 -5.012 27.020 -30.904 1.00 0.00 C ATOM 1629 CZ PHE A 104 -4.561 26.213 -31.931 1.00 0.00 C ATOM 0 H PHE A 104 -5.213 24.990 -27.555 1.00 0.00 H new ATOM 0 HA PHE A 104 -2.856 23.649 -28.035 1.00 0.00 H new ATOM 0 HB2 PHE A 104 -3.333 26.578 -27.355 1.00 0.00 H new ATOM 0 HB3 PHE A 104 -1.845 25.955 -28.041 1.00 0.00 H new ATOM 0 HD1 PHE A 104 -2.287 24.403 -30.228 1.00 0.00 H new ATOM 0 HD2 PHE A 104 -4.836 27.519 -28.838 1.00 0.00 H new ATOM 0 HE1 PHE A 104 -3.227 24.638 -32.486 1.00 0.00 H new ATOM 0 HE2 PHE A 104 -5.779 27.757 -31.093 1.00 0.00 H new ATOM 0 HZ PHE A 104 -4.974 26.319 -32.923 1.00 0.00 H new ATOM 1639 N LYS A 105 -3.093 24.696 -24.952 1.00 0.00 N ATOM 1640 CA LYS A 105 -2.481 24.629 -23.631 1.00 0.00 C ATOM 1641 C LYS A 105 -2.292 23.181 -23.191 1.00 0.00 C ATOM 1642 O LYS A 105 -3.142 22.613 -22.506 1.00 0.00 O ATOM 1643 CB LYS A 105 -3.343 25.375 -22.609 1.00 0.00 C ATOM 1644 CG LYS A 105 -2.550 25.945 -21.445 1.00 0.00 C ATOM 1645 CD LYS A 105 -2.322 24.904 -20.363 1.00 0.00 C ATOM 1646 CE LYS A 105 -1.320 25.388 -19.326 1.00 0.00 C ATOM 1647 NZ LYS A 105 -0.763 24.264 -18.524 1.00 0.00 N ATOM 0 H LYS A 105 -4.046 25.060 -24.957 1.00 0.00 H new ATOM 0 HA LYS A 105 -1.501 25.104 -23.688 1.00 0.00 H new ATOM 0 HB2 LYS A 105 -3.868 26.187 -23.112 1.00 0.00 H new ATOM 0 HB3 LYS A 105 -4.103 24.696 -22.222 1.00 0.00 H new ATOM 0 HG2 LYS A 105 -1.589 26.314 -21.804 1.00 0.00 H new ATOM 0 HG3 LYS A 105 -3.082 26.798 -21.024 1.00 0.00 H new ATOM 0 HD2 LYS A 105 -3.269 24.672 -19.875 1.00 0.00 H new ATOM 0 HD3 LYS A 105 -1.961 23.980 -20.816 1.00 0.00 H new ATOM 0 HE2 LYS A 105 -0.507 25.915 -19.825 1.00 0.00 H new ATOM 0 HE3 LYS A 105 -1.803 26.104 -18.661 1.00 0.00 H new ATOM 0 HZ1 LYS A 105 -0.366 24.634 -17.637 1.00 0.00 H new ATOM 0 HZ2 LYS A 105 -1.519 23.584 -18.308 1.00 0.00 H new ATOM 0 HZ3 LYS A 105 -0.014 23.788 -19.067 1.00 0.00 H new ATOM 1661 N VAL A 106 -1.171 22.588 -23.590 1.00 0.00 N ATOM 1662 CA VAL A 106 -0.868 21.206 -23.235 1.00 0.00 C ATOM 1663 C VAL A 106 0.532 21.084 -22.645 1.00 0.00 C ATOM 1664 O VAL A 106 1.512 21.510 -23.256 1.00 0.00 O ATOM 1665 CB VAL A 106 -0.982 20.275 -24.457 1.00 0.00 C ATOM 1666 CG1 VAL A 106 -0.847 18.821 -24.034 1.00 0.00 C ATOM 1667 CG2 VAL A 106 -2.299 20.508 -25.182 1.00 0.00 C ATOM 0 H VAL A 106 -0.457 23.043 -24.159 1.00 0.00 H new ATOM 0 HA VAL A 106 -1.601 20.903 -22.487 1.00 0.00 H new ATOM 0 HB VAL A 106 -0.169 20.505 -25.145 1.00 0.00 H new ATOM 0 HG11 VAL A 106 -0.930 18.178 -24.910 1.00 0.00 H new ATOM 0 HG12 VAL A 106 0.124 18.668 -23.562 1.00 0.00 H new ATOM 0 HG13 VAL A 106 -1.638 18.573 -23.326 1.00 0.00 H new ATOM 0 HG21 VAL A 106 -2.363 19.842 -26.043 1.00 0.00 H new ATOM 0 HG22 VAL A 106 -3.128 20.306 -24.504 1.00 0.00 H new ATOM 0 HG23 VAL A 106 -2.350 21.543 -25.519 1.00 0.00 H new ATOM 1677 N GLU A 107 0.618 20.499 -21.455 1.00 0.00 N ATOM 1678 CA GLU A 107 1.900 20.321 -20.783 1.00 0.00 C ATOM 1679 C GLU A 107 2.013 18.919 -20.190 1.00 0.00 C ATOM 1680 O GLU A 107 1.332 18.585 -19.220 1.00 0.00 O ATOM 1681 CB GLU A 107 2.073 21.368 -19.680 1.00 0.00 C ATOM 1682 CG GLU A 107 3.524 21.638 -19.319 1.00 0.00 C ATOM 1683 CD GLU A 107 4.324 22.184 -20.485 1.00 0.00 C ATOM 1684 OE1 GLU A 107 4.090 23.348 -20.872 1.00 0.00 O ATOM 1685 OE2 GLU A 107 5.184 21.447 -21.011 1.00 0.00 O ATOM 0 H GLU A 107 -0.184 20.140 -20.937 1.00 0.00 H new ATOM 0 HA GLU A 107 2.690 20.449 -21.523 1.00 0.00 H new ATOM 0 HB2 GLU A 107 1.607 22.300 -20.000 1.00 0.00 H new ATOM 0 HB3 GLU A 107 1.541 21.035 -18.788 1.00 0.00 H new ATOM 0 HG2 GLU A 107 3.563 22.348 -18.493 1.00 0.00 H new ATOM 0 HG3 GLU A 107 3.985 20.715 -18.968 1.00 0.00 H new ATOM 1692 N THR A 108 2.879 18.102 -20.781 1.00 0.00 N ATOM 1693 CA THR A 108 3.082 16.736 -20.314 1.00 0.00 C ATOM 1694 C THR A 108 4.464 16.566 -19.693 1.00 0.00 C ATOM 1695 O THR A 108 5.458 17.060 -20.225 1.00 0.00 O ATOM 1696 CB THR A 108 2.918 15.720 -21.460 1.00 0.00 C ATOM 1697 OG1 THR A 108 3.997 15.854 -22.391 1.00 0.00 O ATOM 1698 CG2 THR A 108 1.593 15.925 -22.179 1.00 0.00 C ATOM 0 H THR A 108 3.451 18.363 -21.584 1.00 0.00 H new ATOM 0 HA THR A 108 2.321 16.545 -19.557 1.00 0.00 H new ATOM 0 HB THR A 108 2.930 14.718 -21.032 1.00 0.00 H new ATOM 0 HG1 THR A 108 4.509 15.019 -22.420 1.00 0.00 H new ATOM 0 HG21 THR A 108 1.499 15.196 -22.984 1.00 0.00 H new ATOM 0 HG22 THR A 108 0.772 15.794 -21.474 1.00 0.00 H new ATOM 0 HG23 THR A 108 1.557 16.932 -22.595 1.00 0.00 H new ATOM 1706 N ASP A 109 4.519 15.865 -18.566 1.00 0.00 N ATOM 1707 CA ASP A 109 5.780 15.628 -17.874 1.00 0.00 C ATOM 1708 C ASP A 109 6.764 14.888 -18.775 1.00 0.00 C ATOM 1709 O ASP A 109 6.384 13.975 -19.508 1.00 0.00 O ATOM 1710 CB ASP A 109 5.541 14.828 -16.593 1.00 0.00 C ATOM 1711 CG ASP A 109 6.830 14.315 -15.982 1.00 0.00 C ATOM 1712 OD1 ASP A 109 7.280 13.220 -16.379 1.00 0.00 O ATOM 1713 OD2 ASP A 109 7.389 15.008 -15.106 1.00 0.00 O ATOM 0 H ASP A 109 3.705 15.451 -18.112 1.00 0.00 H new ATOM 0 HA ASP A 109 6.210 16.595 -17.614 1.00 0.00 H new ATOM 0 HB2 ASP A 109 5.023 15.455 -15.868 1.00 0.00 H new ATOM 0 HB3 ASP A 109 4.885 13.985 -16.811 1.00 0.00 H new ATOM 1718 N MET A 110 8.030 15.289 -18.716 1.00 0.00 N ATOM 1719 CA MET A 110 9.068 14.663 -19.526 1.00 0.00 C ATOM 1720 C MET A 110 10.039 13.876 -18.652 1.00 0.00 C ATOM 1721 O MET A 110 11.226 14.197 -18.581 1.00 0.00 O ATOM 1722 CB MET A 110 9.828 15.722 -20.327 1.00 0.00 C ATOM 1723 CG MET A 110 10.731 15.139 -21.401 1.00 0.00 C ATOM 1724 SD MET A 110 11.516 16.409 -22.413 1.00 0.00 S ATOM 1725 CE MET A 110 10.243 16.699 -23.640 1.00 0.00 C ATOM 0 H MET A 110 8.361 16.044 -18.116 1.00 0.00 H new ATOM 0 HA MET A 110 8.587 13.971 -20.217 1.00 0.00 H new ATOM 0 HB2 MET A 110 9.111 16.397 -20.794 1.00 0.00 H new ATOM 0 HB3 MET A 110 10.430 16.320 -19.643 1.00 0.00 H new ATOM 0 HG2 MET A 110 11.501 14.528 -20.930 1.00 0.00 H new ATOM 0 HG3 MET A 110 10.147 14.479 -22.042 1.00 0.00 H new ATOM 0 HE1 MET A 110 10.580 17.463 -24.341 1.00 0.00 H new ATOM 0 HE2 MET A 110 10.041 15.774 -24.180 1.00 0.00 H new ATOM 0 HE3 MET A 110 9.332 17.037 -23.146 1.00 0.00 H new TER 1735 MET A 110