USER MOD reduce.3.24.130724 H: found=0, std=0, add=890, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 887 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 96 ASN : amide:sc= -3.47! C(o=-2.6!,f=-7!) USER MOD Set 1.2: A 97 THR OG1 : rot -43:sc= 0.832 USER MOD Set 2.1: A 76 GLN : amide:sc= -0.0243 K(o=-0.31,f=-2!) USER MOD Set 2.2: A 95 HIS : no HD1:sc= -0.287 K(o=-0.31,f=-1) USER MOD Set 3.1: A 49 LYS NZ :NH3+ 152:sc= 1.63 (180deg=0.871) USER MOD Set 3.2: A 73 TYR OH : rot 180:sc= 0 USER MOD Single : A 2 THR OG1 : rot -24:sc= -1.32 USER MOD Single : A 6 GLN : amide:sc= -0.399 K(o=-0.4,f=-1.2) USER MOD Single : A 8 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=-0.0061) USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 THR OG1 : rot -3:sc= -0.836 USER MOD Single : A 13 ASN :FLIP amide:sc= -4.73! C(o=-5.4!,f=-4.7!) USER MOD Single : A 16 ASN :FLIP amide:sc=-0.00682 F(o=-1.4,f=-0.0068) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 CYS SG : rot -77:sc= 0.203 USER MOD Single : A 27 SER OG : rot 180:sc= 0 USER MOD Single : A 39 GLN :FLIP amide:sc= -1.31 F(o=-2.4,f=-1.3) USER MOD Single : A 40 TYR OH : rot 180:sc= 0 USER MOD Single : A 47 SER OG : rot 180:sc= 0 USER MOD Single : A 48 ASN : amide:sc= -0.0101 K(o=-0.01,f=-1.5!) USER MOD Single : A 52 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 53 THR OG1 : rot -55:sc= 1.21 USER MOD Single : A 54 ASN : amide:sc= -1.52 X(o=-1.5,f=-1.4) USER MOD Single : A 55 THR OG1 : rot 180:sc= 0 USER MOD Single : A 56 TYR OH : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 165:sc= -1.7! USER MOD Single : A 58 SER OG : rot 157:sc= -0.217 USER MOD Single : A 60 THR OG1 : rot 180:sc= -0.301 USER MOD Single : A 62 HIS : no HD1:sc= -0.136 X(o=-0.14,f=-0.43) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 SER OG : rot 74:sc= 0.163 USER MOD Single : A 65 ASN : amide:sc= 0 X(o=0,f=-0.057) USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 72 TYR OH : rot 180:sc= -0.765 USER MOD Single : A 74 GLN : amide:sc= -1.97 K(o=-2,f=-3.5) USER MOD Single : A 75 LYS NZ :NH3+ -125:sc= -0.409 (180deg=-1.73!) USER MOD Single : A 86 ASN : amide:sc= -0.394 X(o=-0.39,f=0.016) USER MOD Single : A 87 HIS :FLIP no HD1:sc= -2.09 F(o=-2.7,f=-2.1) USER MOD Single : A 89 MET CE :methyl 146:sc= -2.04 (180deg=-7.25!) USER MOD Single : A 93 TYR OH : rot 180:sc= 0 USER MOD Single : A 99 MET CE :methyl 156:sc= -0.126 (180deg=-1.3) USER MOD Single : A 104 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 106 TYR OH : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 20 N THR A 2 -11.565 -7.794 19.595 1.00 0.00 N ATOM 21 CA THR A 2 -11.022 -8.360 18.321 1.00 0.00 C ATOM 22 C THR A 2 -11.476 -7.510 17.131 1.00 0.00 C ATOM 23 O THR A 2 -12.654 -7.362 16.866 1.00 0.00 O ATOM 24 CB THR A 2 -11.540 -9.791 18.147 1.00 0.00 C ATOM 25 OG1 THR A 2 -12.957 -9.798 18.250 1.00 0.00 O ATOM 26 CG2 THR A 2 -10.941 -10.686 19.235 1.00 0.00 C ATOM 0 HA THR A 2 -9.933 -8.359 18.364 1.00 0.00 H new ATOM 0 HB THR A 2 -11.247 -10.168 17.167 1.00 0.00 H new ATOM 0 HG1 THR A 2 -13.251 -9.024 18.775 1.00 0.00 H new ATOM 0 HG21 THR A 2 -11.309 -11.705 19.112 1.00 0.00 H new ATOM 0 HG22 THR A 2 -9.854 -10.681 19.153 1.00 0.00 H new ATOM 0 HG23 THR A 2 -11.233 -10.311 20.216 1.00 0.00 H new ATOM 34 N LEU A 3 -10.540 -6.959 16.407 1.00 0.00 N ATOM 35 CA LEU A 3 -10.889 -6.126 15.221 1.00 0.00 C ATOM 36 C LEU A 3 -11.570 -7.002 14.168 1.00 0.00 C ATOM 37 O LEU A 3 -12.484 -6.580 13.488 1.00 0.00 O ATOM 38 CB LEU A 3 -9.600 -5.521 14.642 1.00 0.00 C ATOM 39 CG LEU A 3 -8.611 -6.651 14.231 1.00 0.00 C ATOM 40 CD1 LEU A 3 -8.675 -6.903 12.717 1.00 0.00 C ATOM 41 CD2 LEU A 3 -7.173 -6.258 14.598 1.00 0.00 C ATOM 0 H LEU A 3 -9.540 -7.051 16.588 1.00 0.00 H new ATOM 0 HA LEU A 3 -11.569 -5.326 15.513 1.00 0.00 H new ATOM 0 HB2 LEU A 3 -9.837 -4.903 13.776 1.00 0.00 H new ATOM 0 HB3 LEU A 3 -9.132 -4.869 15.380 1.00 0.00 H new ATOM 0 HG LEU A 3 -8.899 -7.556 14.765 1.00 0.00 H new ATOM 0 HD11 LEU A 3 -7.976 -7.696 12.450 1.00 0.00 H new ATOM 0 HD12 LEU A 3 -9.686 -7.202 12.440 1.00 0.00 H new ATOM 0 HD13 LEU A 3 -8.408 -5.990 12.185 1.00 0.00 H new ATOM 0 HD21 LEU A 3 -6.492 -7.057 14.305 1.00 0.00 H new ATOM 0 HD22 LEU A 3 -6.902 -5.340 14.076 1.00 0.00 H new ATOM 0 HD23 LEU A 3 -7.103 -6.097 15.674 1.00 0.00 H new ATOM 53 N GLU A 4 -11.119 -8.218 14.020 1.00 0.00 N ATOM 54 CA GLU A 4 -11.719 -9.128 13.005 1.00 0.00 C ATOM 55 C GLU A 4 -13.239 -9.160 13.181 1.00 0.00 C ATOM 56 O GLU A 4 -13.987 -8.991 12.240 1.00 0.00 O ATOM 57 CB GLU A 4 -11.155 -10.537 13.206 1.00 0.00 C ATOM 58 CG GLU A 4 -9.668 -10.553 12.840 1.00 0.00 C ATOM 59 CD GLU A 4 -9.084 -11.937 13.131 1.00 0.00 C ATOM 60 OE1 GLU A 4 -9.836 -12.800 13.554 1.00 0.00 O ATOM 61 OE2 GLU A 4 -7.894 -12.111 12.924 1.00 0.00 O ATOM 0 H GLU A 4 -10.356 -8.622 14.563 1.00 0.00 H new ATOM 0 HA GLU A 4 -11.479 -8.771 12.003 1.00 0.00 H new ATOM 0 HB2 GLU A 4 -11.288 -10.848 14.242 1.00 0.00 H new ATOM 0 HB3 GLU A 4 -11.700 -11.249 12.587 1.00 0.00 H new ATOM 0 HG2 GLU A 4 -9.540 -10.307 11.786 1.00 0.00 H new ATOM 0 HG3 GLU A 4 -9.134 -9.794 13.412 1.00 0.00 H new ATOM 68 N LEU A 5 -13.699 -9.370 14.380 1.00 0.00 N ATOM 69 CA LEU A 5 -15.167 -9.404 14.624 1.00 0.00 C ATOM 70 C LEU A 5 -15.761 -8.022 14.318 1.00 0.00 C ATOM 71 O LEU A 5 -16.829 -7.906 13.752 1.00 0.00 O ATOM 72 CB LEU A 5 -15.423 -9.768 16.093 1.00 0.00 C ATOM 73 CG LEU A 5 -15.337 -11.288 16.279 1.00 0.00 C ATOM 74 CD1 LEU A 5 -13.945 -11.778 15.872 1.00 0.00 C ATOM 75 CD2 LEU A 5 -15.589 -11.633 17.748 1.00 0.00 C ATOM 0 H LEU A 5 -13.120 -9.520 15.206 1.00 0.00 H new ATOM 0 HA LEU A 5 -15.636 -10.148 13.980 1.00 0.00 H new ATOM 0 HB2 LEU A 5 -14.691 -9.273 16.732 1.00 0.00 H new ATOM 0 HB3 LEU A 5 -16.406 -9.411 16.399 1.00 0.00 H new ATOM 0 HG LEU A 5 -16.087 -11.773 15.655 1.00 0.00 H new ATOM 0 HD11 LEU A 5 -13.886 -12.858 16.005 1.00 0.00 H new ATOM 0 HD12 LEU A 5 -13.764 -11.531 14.826 1.00 0.00 H new ATOM 0 HD13 LEU A 5 -13.193 -11.294 16.495 1.00 0.00 H new ATOM 0 HD21 LEU A 5 -15.529 -12.713 17.884 1.00 0.00 H new ATOM 0 HD22 LEU A 5 -14.838 -11.147 18.370 1.00 0.00 H new ATOM 0 HD23 LEU A 5 -16.581 -11.286 18.038 1.00 0.00 H new ATOM 87 N GLN A 6 -15.078 -6.977 14.698 1.00 0.00 N ATOM 88 CA GLN A 6 -15.601 -5.606 14.438 1.00 0.00 C ATOM 89 C GLN A 6 -15.715 -5.373 12.930 1.00 0.00 C ATOM 90 O GLN A 6 -16.693 -4.838 12.448 1.00 0.00 O ATOM 91 CB GLN A 6 -14.631 -4.580 15.026 1.00 0.00 C ATOM 92 CG GLN A 6 -14.593 -4.705 16.552 1.00 0.00 C ATOM 93 CD GLN A 6 -15.941 -4.280 17.137 1.00 0.00 C ATOM 94 OE1 GLN A 6 -16.867 -5.063 17.192 1.00 0.00 O ATOM 95 NE2 GLN A 6 -16.091 -3.061 17.580 1.00 0.00 N ATOM 0 H GLN A 6 -14.179 -7.014 15.178 1.00 0.00 H new ATOM 0 HA GLN A 6 -16.584 -5.501 14.898 1.00 0.00 H new ATOM 0 HB2 GLN A 6 -13.633 -4.735 14.616 1.00 0.00 H new ATOM 0 HB3 GLN A 6 -14.939 -3.573 14.743 1.00 0.00 H new ATOM 0 HG2 GLN A 6 -14.370 -5.733 16.837 1.00 0.00 H new ATOM 0 HG3 GLN A 6 -13.796 -4.082 16.958 1.00 0.00 H new ATOM 0 HE21 GLN A 6 -15.313 -2.402 17.534 1.00 0.00 H new ATOM 0 HE22 GLN A 6 -16.986 -2.767 17.972 1.00 0.00 H new ATOM 104 N LEU A 7 -14.720 -5.762 12.180 1.00 0.00 N ATOM 105 CA LEU A 7 -14.777 -5.552 10.705 1.00 0.00 C ATOM 106 C LEU A 7 -15.931 -6.358 10.109 1.00 0.00 C ATOM 107 O LEU A 7 -16.680 -5.873 9.286 1.00 0.00 O ATOM 108 CB LEU A 7 -13.455 -6.011 10.074 1.00 0.00 C ATOM 109 CG LEU A 7 -13.531 -5.913 8.540 1.00 0.00 C ATOM 110 CD1 LEU A 7 -13.918 -4.488 8.121 1.00 0.00 C ATOM 111 CD2 LEU A 7 -12.164 -6.264 7.944 1.00 0.00 C ATOM 0 H LEU A 7 -13.873 -6.215 12.523 1.00 0.00 H new ATOM 0 HA LEU A 7 -14.935 -4.493 10.499 1.00 0.00 H new ATOM 0 HB2 LEU A 7 -12.635 -5.396 10.444 1.00 0.00 H new ATOM 0 HB3 LEU A 7 -13.241 -7.038 10.369 1.00 0.00 H new ATOM 0 HG LEU A 7 -14.286 -6.609 8.174 1.00 0.00 H new ATOM 0 HD11 LEU A 7 -13.969 -4.430 7.034 1.00 0.00 H new ATOM 0 HD12 LEU A 7 -14.890 -4.236 8.544 1.00 0.00 H new ATOM 0 HD13 LEU A 7 -13.170 -3.785 8.487 1.00 0.00 H new ATOM 0 HD21 LEU A 7 -12.213 -6.196 6.857 1.00 0.00 H new ATOM 0 HD22 LEU A 7 -11.414 -5.567 8.318 1.00 0.00 H new ATOM 0 HD23 LEU A 7 -11.891 -7.279 8.232 1.00 0.00 H new ATOM 123 N LYS A 8 -16.072 -7.586 10.513 1.00 0.00 N ATOM 124 CA LYS A 8 -17.169 -8.431 9.968 1.00 0.00 C ATOM 125 C LYS A 8 -18.515 -7.836 10.384 1.00 0.00 C ATOM 126 O LYS A 8 -19.452 -7.785 9.613 1.00 0.00 O ATOM 127 CB LYS A 8 -17.033 -9.850 10.523 1.00 0.00 C ATOM 128 CG LYS A 8 -15.776 -10.510 9.946 1.00 0.00 C ATOM 129 CD LYS A 8 -15.626 -11.920 10.526 1.00 0.00 C ATOM 130 CE LYS A 8 -14.380 -12.588 9.936 1.00 0.00 C ATOM 131 NZ LYS A 8 -14.229 -13.956 10.508 1.00 0.00 N ATOM 0 H LYS A 8 -15.473 -8.044 11.200 1.00 0.00 H new ATOM 0 HA LYS A 8 -17.110 -8.463 8.880 1.00 0.00 H new ATOM 0 HB2 LYS A 8 -16.974 -9.822 11.611 1.00 0.00 H new ATOM 0 HB3 LYS A 8 -17.915 -10.438 10.267 1.00 0.00 H new ATOM 0 HG2 LYS A 8 -15.844 -10.558 8.859 1.00 0.00 H new ATOM 0 HG3 LYS A 8 -14.896 -9.912 10.184 1.00 0.00 H new ATOM 0 HD2 LYS A 8 -15.545 -11.871 11.612 1.00 0.00 H new ATOM 0 HD3 LYS A 8 -16.511 -12.514 10.299 1.00 0.00 H new ATOM 0 HE2 LYS A 8 -14.464 -12.644 8.851 1.00 0.00 H new ATOM 0 HE3 LYS A 8 -13.495 -11.991 10.157 1.00 0.00 H new ATOM 0 HZ1 LYS A 8 -13.383 -14.409 10.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 8 -14.130 -13.891 11.541 1.00 0.00 H new ATOM 0 HZ3 LYS A 8 -15.069 -14.524 10.276 1.00 0.00 H new ATOM 145 N HIS A 9 -18.613 -7.389 11.604 1.00 0.00 N ATOM 146 CA HIS A 9 -19.888 -6.796 12.091 1.00 0.00 C ATOM 147 C HIS A 9 -20.169 -5.489 11.343 1.00 0.00 C ATOM 148 O HIS A 9 -21.289 -5.205 10.969 1.00 0.00 O ATOM 149 CB HIS A 9 -19.762 -6.509 13.588 1.00 0.00 C ATOM 150 CG HIS A 9 -21.072 -5.993 14.115 1.00 0.00 C ATOM 151 ND1 HIS A 9 -22.186 -6.806 14.247 1.00 0.00 N ATOM 152 CD2 HIS A 9 -21.458 -4.751 14.551 1.00 0.00 C ATOM 153 CE1 HIS A 9 -23.183 -6.050 14.744 1.00 0.00 C ATOM 154 NE2 HIS A 9 -22.792 -4.789 14.949 1.00 0.00 N ATOM 0 H HIS A 9 -17.858 -7.409 12.290 1.00 0.00 H new ATOM 0 HA HIS A 9 -20.708 -7.493 11.914 1.00 0.00 H new ATOM 0 HB2 HIS A 9 -19.477 -7.417 14.120 1.00 0.00 H new ATOM 0 HB3 HIS A 9 -18.974 -5.776 13.763 1.00 0.00 H new ATOM 0 HD2 HIS A 9 -20.824 -3.877 14.581 1.00 0.00 H new ATOM 0 HE1 HIS A 9 -24.177 -6.418 14.952 1.00 0.00 H new ATOM 0 HE2 HIS A 9 -23.351 -4.019 15.318 1.00 0.00 H new ATOM 162 N TYR A 10 -19.162 -4.686 11.135 1.00 0.00 N ATOM 163 CA TYR A 10 -19.367 -3.392 10.424 1.00 0.00 C ATOM 164 C TYR A 10 -19.889 -3.643 9.005 1.00 0.00 C ATOM 165 O TYR A 10 -20.840 -3.030 8.565 1.00 0.00 O ATOM 166 CB TYR A 10 -18.033 -2.644 10.352 1.00 0.00 C ATOM 167 CG TYR A 10 -18.199 -1.380 9.536 1.00 0.00 C ATOM 168 CD1 TYR A 10 -18.951 -0.313 10.044 1.00 0.00 C ATOM 169 CD2 TYR A 10 -17.609 -1.277 8.270 1.00 0.00 C ATOM 170 CE1 TYR A 10 -19.109 0.855 9.289 1.00 0.00 C ATOM 171 CE2 TYR A 10 -17.766 -0.108 7.515 1.00 0.00 C ATOM 172 CZ TYR A 10 -18.516 0.957 8.024 1.00 0.00 C ATOM 173 OH TYR A 10 -18.672 2.111 7.280 1.00 0.00 O ATOM 0 H TYR A 10 -18.203 -4.871 11.428 1.00 0.00 H new ATOM 0 HA TYR A 10 -20.100 -2.796 10.968 1.00 0.00 H new ATOM 0 HB2 TYR A 10 -17.689 -2.397 11.356 1.00 0.00 H new ATOM 0 HB3 TYR A 10 -17.272 -3.281 9.902 1.00 0.00 H new ATOM 0 HD1 TYR A 10 -19.409 -0.392 11.019 1.00 0.00 H new ATOM 0 HD2 TYR A 10 -17.032 -2.100 7.875 1.00 0.00 H new ATOM 0 HE1 TYR A 10 -19.688 1.678 9.682 1.00 0.00 H new ATOM 0 HE2 TYR A 10 -17.308 -0.029 6.540 1.00 0.00 H new ATOM 0 HH TYR A 10 -18.197 2.018 6.428 1.00 0.00 H new ATOM 183 N ILE A 11 -19.264 -4.530 8.284 1.00 0.00 N ATOM 184 CA ILE A 11 -19.710 -4.817 6.889 1.00 0.00 C ATOM 185 C ILE A 11 -21.101 -5.458 6.901 1.00 0.00 C ATOM 186 O ILE A 11 -21.943 -5.137 6.087 1.00 0.00 O ATOM 187 CB ILE A 11 -18.705 -5.758 6.216 1.00 0.00 C ATOM 188 CG1 ILE A 11 -17.353 -5.037 6.046 1.00 0.00 C ATOM 189 CG2 ILE A 11 -19.234 -6.202 4.850 1.00 0.00 C ATOM 190 CD1 ILE A 11 -17.481 -3.778 5.165 1.00 0.00 C ATOM 0 H ILE A 11 -18.460 -5.072 8.600 1.00 0.00 H new ATOM 0 HA ILE A 11 -19.762 -3.883 6.329 1.00 0.00 H new ATOM 0 HB ILE A 11 -18.567 -6.639 6.843 1.00 0.00 H new ATOM 0 HG12 ILE A 11 -16.965 -4.757 7.025 1.00 0.00 H new ATOM 0 HG13 ILE A 11 -16.630 -5.720 5.600 1.00 0.00 H new ATOM 0 HG21 ILE A 11 -18.512 -6.870 4.380 1.00 0.00 H new ATOM 0 HG22 ILE A 11 -20.182 -6.724 4.979 1.00 0.00 H new ATOM 0 HG23 ILE A 11 -19.385 -5.328 4.217 1.00 0.00 H new ATOM 0 HD11 ILE A 11 -16.506 -3.299 5.070 1.00 0.00 H new ATOM 0 HD12 ILE A 11 -17.844 -4.061 4.177 1.00 0.00 H new ATOM 0 HD13 ILE A 11 -18.184 -3.083 5.624 1.00 0.00 H new ATOM 202 N THR A 12 -21.347 -6.375 7.796 1.00 0.00 N ATOM 203 CA THR A 12 -22.683 -7.038 7.824 1.00 0.00 C ATOM 204 C THR A 12 -23.789 -5.986 7.915 1.00 0.00 C ATOM 205 O THR A 12 -24.742 -6.012 7.165 1.00 0.00 O ATOM 206 CB THR A 12 -22.780 -7.947 9.053 1.00 0.00 C ATOM 207 OG1 THR A 12 -22.271 -7.261 10.188 1.00 0.00 O ATOM 208 CG2 THR A 12 -21.978 -9.231 8.826 1.00 0.00 C ATOM 0 H THR A 12 -20.686 -6.693 8.505 1.00 0.00 H new ATOM 0 HA THR A 12 -22.801 -7.622 6.911 1.00 0.00 H new ATOM 0 HB THR A 12 -23.825 -8.209 9.221 1.00 0.00 H new ATOM 0 HG1 THR A 12 -21.925 -6.386 9.913 1.00 0.00 H new ATOM 0 HG21 THR A 12 -22.055 -9.869 9.707 1.00 0.00 H new ATOM 0 HG22 THR A 12 -22.375 -9.760 7.959 1.00 0.00 H new ATOM 0 HG23 THR A 12 -20.932 -8.980 8.650 1.00 0.00 H new ATOM 216 N ASN A 13 -23.682 -5.070 8.832 1.00 0.00 N ATOM 217 CA ASN A 13 -24.738 -4.036 8.963 1.00 0.00 C ATOM 218 C ASN A 13 -24.716 -3.130 7.732 1.00 0.00 C ATOM 219 O ASN A 13 -25.710 -2.547 7.356 1.00 0.00 O ATOM 220 CB ASN A 13 -24.481 -3.208 10.234 1.00 0.00 C ATOM 221 CG ASN A 13 -23.352 -2.194 9.996 1.00 0.00 C ATOM 222 OD1 ASN A 13 -23.535 -1.210 9.158 1.00 0.00 O flip ATOM 223 ND2 ASN A 13 -22.299 -2.301 10.582 1.00 0.00 N flip ATOM 0 H ASN A 13 -22.910 -4.993 9.495 1.00 0.00 H new ATOM 0 HA ASN A 13 -25.716 -4.511 9.037 1.00 0.00 H new ATOM 0 HB2 ASN A 13 -25.392 -2.685 10.525 1.00 0.00 H new ATOM 0 HB3 ASN A 13 -24.216 -3.870 11.059 1.00 0.00 H new ATOM 0 HD21 ASN A 13 -22.156 -3.070 11.237 1.00 0.00 H new ATOM 0 HD22 ASN A 13 -21.555 -1.622 10.421 1.00 0.00 H new ATOM 230 N LEU A 14 -23.576 -2.988 7.124 1.00 0.00 N ATOM 231 CA LEU A 14 -23.477 -2.091 5.944 1.00 0.00 C ATOM 232 C LEU A 14 -24.376 -2.617 4.821 1.00 0.00 C ATOM 233 O LEU A 14 -25.114 -1.872 4.209 1.00 0.00 O ATOM 234 CB LEU A 14 -22.010 -2.056 5.479 1.00 0.00 C ATOM 235 CG LEU A 14 -21.690 -0.705 4.814 1.00 0.00 C ATOM 236 CD1 LEU A 14 -22.694 -0.429 3.685 1.00 0.00 C ATOM 237 CD2 LEU A 14 -21.743 0.435 5.867 1.00 0.00 C ATOM 0 H LEU A 14 -22.709 -3.453 7.392 1.00 0.00 H new ATOM 0 HA LEU A 14 -23.803 -1.085 6.206 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -21.348 -2.215 6.330 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -21.825 -2.868 4.775 1.00 0.00 H new ATOM 0 HG LEU A 14 -20.685 -0.746 4.393 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -22.462 0.528 3.218 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -22.630 -1.221 2.939 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -23.703 -0.398 4.095 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -21.515 1.386 5.386 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -22.740 0.480 6.305 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -21.011 0.241 6.651 1.00 0.00 H new ATOM 249 N PHE A 15 -24.315 -3.896 4.549 1.00 0.00 N ATOM 250 CA PHE A 15 -25.155 -4.492 3.465 1.00 0.00 C ATOM 251 C PHE A 15 -26.184 -5.438 4.089 1.00 0.00 C ATOM 252 O PHE A 15 -26.890 -6.145 3.403 1.00 0.00 O ATOM 253 CB PHE A 15 -24.238 -5.245 2.494 1.00 0.00 C ATOM 254 CG PHE A 15 -23.368 -4.237 1.771 1.00 0.00 C ATOM 255 CD1 PHE A 15 -23.883 -3.530 0.677 1.00 0.00 C ATOM 256 CD2 PHE A 15 -22.054 -3.998 2.200 1.00 0.00 C ATOM 257 CE1 PHE A 15 -23.089 -2.586 0.013 1.00 0.00 C ATOM 258 CE2 PHE A 15 -21.260 -3.055 1.534 1.00 0.00 C ATOM 259 CZ PHE A 15 -21.777 -2.349 0.441 1.00 0.00 C ATOM 0 H PHE A 15 -23.713 -4.560 5.037 1.00 0.00 H new ATOM 0 HA PHE A 15 -25.689 -3.714 2.919 1.00 0.00 H new ATOM 0 HB2 PHE A 15 -23.619 -5.960 3.036 1.00 0.00 H new ATOM 0 HB3 PHE A 15 -24.831 -5.815 1.779 1.00 0.00 H new ATOM 0 HD1 PHE A 15 -24.894 -3.713 0.345 1.00 0.00 H new ATOM 0 HD2 PHE A 15 -21.654 -4.541 3.044 1.00 0.00 H new ATOM 0 HE1 PHE A 15 -23.489 -2.041 -0.829 1.00 0.00 H new ATOM 0 HE2 PHE A 15 -20.248 -2.873 1.864 1.00 0.00 H new ATOM 0 HZ PHE A 15 -21.164 -1.622 -0.072 1.00 0.00 H new ATOM 269 N ASN A 16 -26.273 -5.438 5.395 1.00 0.00 N ATOM 270 CA ASN A 16 -27.255 -6.316 6.093 1.00 0.00 C ATOM 271 C ASN A 16 -27.011 -7.773 5.712 1.00 0.00 C ATOM 272 O ASN A 16 -27.932 -8.545 5.545 1.00 0.00 O ATOM 273 CB ASN A 16 -28.680 -5.902 5.712 1.00 0.00 C ATOM 274 CG ASN A 16 -28.856 -4.412 6.009 1.00 0.00 C ATOM 275 OD1 ASN A 16 -28.151 -3.867 6.963 1.00 0.00 O flip ATOM 276 ND2 ASN A 16 -29.636 -3.739 5.367 1.00 0.00 N flip ATOM 0 H ASN A 16 -25.701 -4.861 6.011 1.00 0.00 H new ATOM 0 HA ASN A 16 -27.131 -6.209 7.171 1.00 0.00 H new ATOM 0 HB2 ASN A 16 -28.861 -6.100 4.656 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -29.407 -6.488 6.275 1.00 0.00 H new ATOM 0 HD21 ASN A 16 -30.186 -4.167 4.622 1.00 0.00 H new ATOM 0 HD22 ASN A 16 -29.742 -2.746 5.572 1.00 0.00 H new ATOM 283 N LEU A 17 -25.773 -8.160 5.569 1.00 0.00 N ATOM 284 CA LEU A 17 -25.481 -9.569 5.194 1.00 0.00 C ATOM 285 C LEU A 17 -25.534 -10.463 6.447 1.00 0.00 C ATOM 286 O LEU A 17 -25.301 -9.998 7.546 1.00 0.00 O ATOM 287 CB LEU A 17 -24.083 -9.646 4.576 1.00 0.00 C ATOM 288 CG LEU A 17 -24.088 -8.982 3.186 1.00 0.00 C ATOM 289 CD1 LEU A 17 -22.666 -8.557 2.816 1.00 0.00 C ATOM 290 CD2 LEU A 17 -24.608 -9.962 2.124 1.00 0.00 C ATOM 0 H LEU A 17 -24.956 -7.563 5.695 1.00 0.00 H new ATOM 0 HA LEU A 17 -26.223 -9.913 4.474 1.00 0.00 H new ATOM 0 HB2 LEU A 17 -23.361 -9.148 5.224 1.00 0.00 H new ATOM 0 HB3 LEU A 17 -23.770 -10.687 4.491 1.00 0.00 H new ATOM 0 HG LEU A 17 -24.742 -8.111 3.220 1.00 0.00 H new ATOM 0 HD11 LEU A 17 -22.671 -8.087 1.832 1.00 0.00 H new ATOM 0 HD12 LEU A 17 -22.294 -7.847 3.555 1.00 0.00 H new ATOM 0 HD13 LEU A 17 -22.018 -9.433 2.796 1.00 0.00 H new ATOM 0 HD21 LEU A 17 -24.605 -9.476 1.148 1.00 0.00 H new ATOM 0 HD22 LEU A 17 -23.964 -10.841 2.094 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -25.624 -10.265 2.375 1.00 0.00 H new ATOM 302 N PRO A 18 -25.827 -11.739 6.294 1.00 0.00 N ATOM 303 CA PRO A 18 -25.888 -12.689 7.452 1.00 0.00 C ATOM 304 C PRO A 18 -24.636 -12.636 8.343 1.00 0.00 C ATOM 305 O PRO A 18 -23.517 -12.609 7.871 1.00 0.00 O ATOM 306 CB PRO A 18 -26.004 -14.068 6.780 1.00 0.00 C ATOM 307 CG PRO A 18 -26.639 -13.801 5.457 1.00 0.00 C ATOM 308 CD PRO A 18 -26.151 -12.419 5.019 1.00 0.00 C ATOM 0 HA PRO A 18 -26.715 -12.447 8.120 1.00 0.00 H new ATOM 0 HB2 PRO A 18 -25.025 -14.533 6.661 1.00 0.00 H new ATOM 0 HB3 PRO A 18 -26.610 -14.749 7.378 1.00 0.00 H new ATOM 0 HG2 PRO A 18 -26.357 -14.562 4.729 1.00 0.00 H new ATOM 0 HG3 PRO A 18 -27.726 -13.823 5.536 1.00 0.00 H new ATOM 0 HD2 PRO A 18 -25.278 -12.490 4.370 1.00 0.00 H new ATOM 0 HD3 PRO A 18 -26.919 -11.881 4.463 1.00 0.00 H new ATOM 316 N ARG A 19 -24.837 -12.615 9.635 1.00 0.00 N ATOM 317 CA ARG A 19 -23.695 -12.557 10.593 1.00 0.00 C ATOM 318 C ARG A 19 -23.278 -13.973 10.999 1.00 0.00 C ATOM 319 O ARG A 19 -22.196 -14.192 11.505 1.00 0.00 O ATOM 320 CB ARG A 19 -24.142 -11.783 11.842 1.00 0.00 C ATOM 321 CG ARG A 19 -24.509 -10.328 11.465 1.00 0.00 C ATOM 322 CD ARG A 19 -26.017 -10.203 11.192 1.00 0.00 C ATOM 323 NE ARG A 19 -26.766 -10.450 12.456 1.00 0.00 N ATOM 324 CZ ARG A 19 -28.051 -10.676 12.426 1.00 0.00 C ATOM 325 NH1 ARG A 19 -28.692 -10.678 11.290 1.00 0.00 N ATOM 326 NH2 ARG A 19 -28.696 -10.904 13.538 1.00 0.00 N ATOM 0 H ARG A 19 -25.758 -12.636 10.072 1.00 0.00 H new ATOM 0 HA ARG A 19 -22.847 -12.060 10.121 1.00 0.00 H new ATOM 0 HB2 ARG A 19 -25.001 -12.276 12.297 1.00 0.00 H new ATOM 0 HB3 ARG A 19 -23.344 -11.784 12.584 1.00 0.00 H new ATOM 0 HG2 ARG A 19 -24.223 -9.654 12.273 1.00 0.00 H new ATOM 0 HG3 ARG A 19 -23.948 -10.023 10.582 1.00 0.00 H new ATOM 0 HD2 ARG A 19 -26.248 -9.210 10.807 1.00 0.00 H new ATOM 0 HD3 ARG A 19 -26.321 -10.920 10.429 1.00 0.00 H new ATOM 0 HE ARG A 19 -26.272 -10.442 13.349 1.00 0.00 H new ATOM 0 HH11 ARG A 19 -28.189 -10.502 10.420 1.00 0.00 H new ATOM 0 HH12 ARG A 19 -29.696 -10.855 11.271 1.00 0.00 H new ATOM 0 HH21 ARG A 19 -28.196 -10.905 14.427 1.00 0.00 H new ATOM 0 HH22 ARG A 19 -29.700 -11.081 13.518 1.00 0.00 H new ATOM 340 N ASP A 20 -24.133 -14.936 10.797 1.00 0.00 N ATOM 341 CA ASP A 20 -23.791 -16.336 11.184 1.00 0.00 C ATOM 342 C ASP A 20 -23.060 -17.023 10.030 1.00 0.00 C ATOM 343 O ASP A 20 -22.702 -18.178 10.116 1.00 0.00 O ATOM 344 CB ASP A 20 -25.079 -17.100 11.495 1.00 0.00 C ATOM 345 CG ASP A 20 -24.735 -18.469 12.084 1.00 0.00 C ATOM 346 OD1 ASP A 20 -23.594 -18.656 12.474 1.00 0.00 O ATOM 347 OD2 ASP A 20 -25.620 -19.307 12.134 1.00 0.00 O ATOM 0 H ASP A 20 -25.056 -14.815 10.380 1.00 0.00 H new ATOM 0 HA ASP A 20 -23.147 -16.324 12.064 1.00 0.00 H new ATOM 0 HB2 ASP A 20 -25.689 -16.533 12.198 1.00 0.00 H new ATOM 0 HB3 ASP A 20 -25.670 -17.222 10.587 1.00 0.00 H new ATOM 352 N GLU A 21 -22.838 -16.325 8.945 1.00 0.00 N ATOM 353 CA GLU A 21 -22.134 -16.951 7.786 1.00 0.00 C ATOM 354 C GLU A 21 -20.639 -16.645 7.874 1.00 0.00 C ATOM 355 O GLU A 21 -20.221 -15.505 7.851 1.00 0.00 O ATOM 356 CB GLU A 21 -22.699 -16.381 6.480 1.00 0.00 C ATOM 357 CG GLU A 21 -22.103 -17.133 5.285 1.00 0.00 C ATOM 358 CD GLU A 21 -22.654 -18.560 5.254 1.00 0.00 C ATOM 359 OE1 GLU A 21 -23.561 -18.842 6.022 1.00 0.00 O ATOM 360 OE2 GLU A 21 -22.166 -19.346 4.458 1.00 0.00 O ATOM 0 H GLU A 21 -23.113 -15.352 8.812 1.00 0.00 H new ATOM 0 HA GLU A 21 -22.284 -18.030 7.806 1.00 0.00 H new ATOM 0 HB2 GLU A 21 -23.785 -16.471 6.473 1.00 0.00 H new ATOM 0 HB3 GLU A 21 -22.467 -15.319 6.406 1.00 0.00 H new ATOM 0 HG2 GLU A 21 -22.349 -16.617 4.357 1.00 0.00 H new ATOM 0 HG3 GLU A 21 -21.016 -17.153 5.360 1.00 0.00 H new ATOM 367 N LYS A 22 -19.832 -17.663 7.975 1.00 0.00 N ATOM 368 CA LYS A 22 -18.361 -17.452 8.067 1.00 0.00 C ATOM 369 C LYS A 22 -17.771 -17.280 6.670 1.00 0.00 C ATOM 370 O LYS A 22 -18.229 -17.873 5.715 1.00 0.00 O ATOM 371 CB LYS A 22 -17.726 -18.666 8.744 1.00 0.00 C ATOM 372 CG LYS A 22 -18.126 -18.701 10.233 1.00 0.00 C ATOM 373 CD LYS A 22 -17.151 -17.851 11.072 1.00 0.00 C ATOM 374 CE LYS A 22 -15.931 -18.689 11.467 1.00 0.00 C ATOM 375 NZ LYS A 22 -14.981 -17.846 12.243 1.00 0.00 N ATOM 0 H LYS A 22 -20.130 -18.638 7.998 1.00 0.00 H new ATOM 0 HA LYS A 22 -18.158 -16.554 8.650 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -18.051 -19.581 8.249 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -16.641 -18.620 8.650 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -19.142 -18.324 10.352 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -18.123 -19.730 10.593 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -16.834 -16.978 10.502 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -17.654 -17.482 11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -16.243 -19.547 12.063 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -15.442 -19.081 10.575 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -14.152 -18.414 12.512 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -14.675 -17.041 11.660 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -15.451 -17.493 13.101 1.00 0.00 H new ATOM 389 N TRP A 23 -16.755 -16.466 6.548 1.00 0.00 N ATOM 390 CA TRP A 23 -16.117 -16.233 5.218 1.00 0.00 C ATOM 391 C TRP A 23 -14.785 -16.973 5.149 1.00 0.00 C ATOM 392 O TRP A 23 -14.387 -17.646 6.079 1.00 0.00 O ATOM 393 CB TRP A 23 -15.862 -14.736 5.039 1.00 0.00 C ATOM 394 CG TRP A 23 -17.106 -13.956 5.338 1.00 0.00 C ATOM 395 CD1 TRP A 23 -18.372 -14.442 5.304 1.00 0.00 C ATOM 396 CD2 TRP A 23 -17.219 -12.554 5.719 1.00 0.00 C ATOM 397 NE1 TRP A 23 -19.248 -13.425 5.634 1.00 0.00 N ATOM 398 CE2 TRP A 23 -18.587 -12.244 5.897 1.00 0.00 C ATOM 399 CE3 TRP A 23 -16.276 -11.531 5.920 1.00 0.00 C ATOM 400 CZ2 TRP A 23 -19.004 -10.965 6.266 1.00 0.00 C ATOM 401 CZ3 TRP A 23 -16.692 -10.244 6.292 1.00 0.00 C ATOM 402 CH2 TRP A 23 -18.054 -9.960 6.462 1.00 0.00 C ATOM 0 H TRP A 23 -16.336 -15.948 7.320 1.00 0.00 H new ATOM 0 HA TRP A 23 -16.778 -16.598 4.432 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -15.057 -14.416 5.700 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -15.536 -14.535 4.019 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -18.650 -15.457 5.059 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -20.261 -13.535 5.678 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -15.224 -11.737 5.787 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -20.055 -10.753 6.399 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -15.958 -9.467 6.448 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -18.368 -8.966 6.744 1.00 0.00 H new ATOM 413 N GLU A 24 -14.098 -16.852 4.042 1.00 0.00 N ATOM 414 CA GLU A 24 -12.784 -17.545 3.877 1.00 0.00 C ATOM 415 C GLU A 24 -11.665 -16.503 3.911 1.00 0.00 C ATOM 416 O GLU A 24 -11.708 -15.503 3.223 1.00 0.00 O ATOM 417 CB GLU A 24 -12.769 -18.274 2.533 1.00 0.00 C ATOM 418 CG GLU A 24 -11.454 -19.037 2.388 1.00 0.00 C ATOM 419 CD GLU A 24 -11.462 -19.832 1.082 1.00 0.00 C ATOM 420 OE1 GLU A 24 -12.529 -19.975 0.506 1.00 0.00 O ATOM 421 OE2 GLU A 24 -10.405 -20.287 0.683 1.00 0.00 O ATOM 0 H GLU A 24 -14.394 -16.298 3.238 1.00 0.00 H new ATOM 0 HA GLU A 24 -12.636 -18.265 4.682 1.00 0.00 H new ATOM 0 HB2 GLU A 24 -13.611 -18.963 2.470 1.00 0.00 H new ATOM 0 HB3 GLU A 24 -12.880 -17.560 1.717 1.00 0.00 H new ATOM 0 HG2 GLU A 24 -10.615 -18.341 2.396 1.00 0.00 H new ATOM 0 HG3 GLU A 24 -11.318 -19.710 3.234 1.00 0.00 H new ATOM 428 N CYS A 25 -10.671 -16.727 4.727 1.00 0.00 N ATOM 429 CA CYS A 25 -9.549 -15.752 4.841 1.00 0.00 C ATOM 430 C CYS A 25 -8.431 -16.110 3.860 1.00 0.00 C ATOM 431 O CYS A 25 -8.173 -17.266 3.589 1.00 0.00 O ATOM 432 CB CYS A 25 -9.004 -15.796 6.274 1.00 0.00 C ATOM 433 SG CYS A 25 -10.375 -16.060 7.423 1.00 0.00 S ATOM 0 H CYS A 25 -10.588 -17.550 5.324 1.00 0.00 H new ATOM 0 HA CYS A 25 -9.913 -14.752 4.605 1.00 0.00 H new ATOM 0 HB2 CYS A 25 -8.271 -16.597 6.373 1.00 0.00 H new ATOM 0 HB3 CYS A 25 -8.491 -14.864 6.509 1.00 0.00 H new ATOM 0 HG CYS A 25 -11.024 -14.946 7.587 1.00 0.00 H new ATOM 439 N GLU A 26 -7.754 -15.118 3.341 1.00 0.00 N ATOM 440 CA GLU A 26 -6.632 -15.370 2.389 1.00 0.00 C ATOM 441 C GLU A 26 -5.451 -14.494 2.800 1.00 0.00 C ATOM 442 O GLU A 26 -5.424 -13.308 2.536 1.00 0.00 O ATOM 443 CB GLU A 26 -7.075 -15.011 0.971 1.00 0.00 C ATOM 444 CG GLU A 26 -5.943 -15.326 -0.005 1.00 0.00 C ATOM 445 CD GLU A 26 -6.411 -15.057 -1.435 1.00 0.00 C ATOM 446 OE1 GLU A 26 -7.607 -14.913 -1.628 1.00 0.00 O ATOM 447 OE2 GLU A 26 -5.567 -15.004 -2.312 1.00 0.00 O ATOM 0 H GLU A 26 -7.933 -14.134 3.539 1.00 0.00 H new ATOM 0 HA GLU A 26 -6.344 -16.421 2.411 1.00 0.00 H new ATOM 0 HB2 GLU A 26 -7.969 -15.574 0.703 1.00 0.00 H new ATOM 0 HB3 GLU A 26 -7.335 -13.954 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 26 -5.071 -14.714 0.224 1.00 0.00 H new ATOM 0 HG3 GLU A 26 -5.638 -16.367 0.099 1.00 0.00 H new ATOM 454 N SER A 27 -4.481 -15.067 3.461 1.00 0.00 N ATOM 455 CA SER A 27 -3.304 -14.270 3.916 1.00 0.00 C ATOM 456 C SER A 27 -2.209 -14.305 2.852 1.00 0.00 C ATOM 457 O SER A 27 -1.792 -15.354 2.408 1.00 0.00 O ATOM 458 CB SER A 27 -2.768 -14.875 5.215 1.00 0.00 C ATOM 459 OG SER A 27 -1.552 -14.229 5.569 1.00 0.00 O ATOM 0 H SER A 27 -4.453 -16.057 3.707 1.00 0.00 H new ATOM 0 HA SER A 27 -3.607 -13.236 4.082 1.00 0.00 H new ATOM 0 HB2 SER A 27 -3.501 -14.758 6.013 1.00 0.00 H new ATOM 0 HB3 SER A 27 -2.601 -15.945 5.089 1.00 0.00 H new ATOM 0 HG SER A 27 -1.207 -14.614 6.402 1.00 0.00 H new ATOM 465 N ILE A 28 -1.733 -13.159 2.447 1.00 0.00 N ATOM 466 CA ILE A 28 -0.655 -13.118 1.419 1.00 0.00 C ATOM 467 C ILE A 28 0.135 -11.814 1.564 1.00 0.00 C ATOM 468 O ILE A 28 -0.407 -10.780 1.897 1.00 0.00 O ATOM 469 CB ILE A 28 -1.270 -13.215 0.017 1.00 0.00 C ATOM 470 CG1 ILE A 28 -0.158 -13.187 -1.047 1.00 0.00 C ATOM 471 CG2 ILE A 28 -2.228 -12.044 -0.212 1.00 0.00 C ATOM 472 CD1 ILE A 28 0.801 -14.370 -0.850 1.00 0.00 C ATOM 0 H ILE A 28 -2.045 -12.248 2.784 1.00 0.00 H new ATOM 0 HA ILE A 28 0.020 -13.962 1.563 1.00 0.00 H new ATOM 0 HB ILE A 28 -1.820 -14.152 -0.064 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -0.598 -13.229 -2.043 1.00 0.00 H new ATOM 0 HG13 ILE A 28 0.393 -12.249 -0.982 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -2.662 -12.118 -1.209 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -3.023 -12.074 0.533 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -1.682 -11.105 -0.123 1.00 0.00 H new ATOM 0 HD11 ILE A 28 1.582 -14.336 -1.610 1.00 0.00 H new ATOM 0 HD12 ILE A 28 1.255 -14.310 0.139 1.00 0.00 H new ATOM 0 HD13 ILE A 28 0.248 -15.305 -0.939 1.00 0.00 H new ATOM 484 N GLU A 29 1.416 -11.864 1.321 1.00 0.00 N ATOM 485 CA GLU A 29 2.253 -10.635 1.448 1.00 0.00 C ATOM 486 C GLU A 29 2.201 -9.822 0.155 1.00 0.00 C ATOM 487 O GLU A 29 2.484 -10.319 -0.918 1.00 0.00 O ATOM 488 CB GLU A 29 3.697 -11.049 1.734 1.00 0.00 C ATOM 489 CG GLU A 29 3.778 -11.626 3.145 1.00 0.00 C ATOM 490 CD GLU A 29 5.196 -12.130 3.418 1.00 0.00 C ATOM 491 OE1 GLU A 29 6.025 -12.018 2.532 1.00 0.00 O ATOM 492 OE2 GLU A 29 5.427 -12.618 4.513 1.00 0.00 O ATOM 0 H GLU A 29 1.921 -12.704 1.039 1.00 0.00 H new ATOM 0 HA GLU A 29 1.871 -10.020 2.262 1.00 0.00 H new ATOM 0 HB2 GLU A 29 4.028 -11.789 1.005 1.00 0.00 H new ATOM 0 HB3 GLU A 29 4.361 -10.190 1.640 1.00 0.00 H new ATOM 0 HG2 GLU A 29 3.506 -10.864 3.875 1.00 0.00 H new ATOM 0 HG3 GLU A 29 3.064 -12.443 3.255 1.00 0.00 H new ATOM 499 N GLU A 30 1.845 -8.565 0.251 1.00 0.00 N ATOM 500 CA GLU A 30 1.777 -7.703 -0.971 1.00 0.00 C ATOM 501 C GLU A 30 2.247 -6.287 -0.629 1.00 0.00 C ATOM 502 O GLU A 30 2.240 -5.874 0.515 1.00 0.00 O ATOM 503 CB GLU A 30 0.338 -7.645 -1.488 1.00 0.00 C ATOM 504 CG GLU A 30 -0.054 -9.003 -2.075 1.00 0.00 C ATOM 505 CD GLU A 30 -1.511 -8.952 -2.537 1.00 0.00 C ATOM 506 OE1 GLU A 30 -2.112 -7.898 -2.422 1.00 0.00 O ATOM 507 OE2 GLU A 30 -2.001 -9.971 -2.999 1.00 0.00 O ATOM 0 H GLU A 30 1.598 -8.098 1.123 1.00 0.00 H new ATOM 0 HA GLU A 30 2.422 -8.128 -1.741 1.00 0.00 H new ATOM 0 HB2 GLU A 30 -0.340 -7.379 -0.677 1.00 0.00 H new ATOM 0 HB3 GLU A 30 0.245 -6.869 -2.248 1.00 0.00 H new ATOM 0 HG2 GLU A 30 0.597 -9.251 -2.913 1.00 0.00 H new ATOM 0 HG3 GLU A 30 0.076 -9.786 -1.328 1.00 0.00 H new ATOM 514 N VAL A 31 2.659 -5.546 -1.618 1.00 0.00 N ATOM 515 CA VAL A 31 3.138 -4.157 -1.371 1.00 0.00 C ATOM 516 C VAL A 31 1.948 -3.239 -1.075 1.00 0.00 C ATOM 517 O VAL A 31 0.927 -3.295 -1.731 1.00 0.00 O ATOM 518 CB VAL A 31 3.883 -3.656 -2.608 1.00 0.00 C ATOM 519 CG1 VAL A 31 4.246 -2.181 -2.427 1.00 0.00 C ATOM 520 CG2 VAL A 31 5.161 -4.477 -2.793 1.00 0.00 C ATOM 0 H VAL A 31 2.685 -5.844 -2.593 1.00 0.00 H new ATOM 0 HA VAL A 31 3.809 -4.151 -0.512 1.00 0.00 H new ATOM 0 HB VAL A 31 3.246 -3.765 -3.486 1.00 0.00 H new ATOM 0 HG11 VAL A 31 4.777 -1.826 -3.310 1.00 0.00 H new ATOM 0 HG12 VAL A 31 3.336 -1.596 -2.291 1.00 0.00 H new ATOM 0 HG13 VAL A 31 4.884 -2.068 -1.550 1.00 0.00 H new ATOM 0 HG21 VAL A 31 5.696 -4.123 -3.674 1.00 0.00 H new ATOM 0 HG22 VAL A 31 5.796 -4.365 -1.914 1.00 0.00 H new ATOM 0 HG23 VAL A 31 4.903 -5.528 -2.923 1.00 0.00 H new ATOM 530 N ALA A 32 2.074 -2.402 -0.084 1.00 0.00 N ATOM 531 CA ALA A 32 0.959 -1.480 0.277 1.00 0.00 C ATOM 532 C ALA A 32 0.562 -0.620 -0.931 1.00 0.00 C ATOM 533 O ALA A 32 -0.602 -0.452 -1.225 1.00 0.00 O ATOM 534 CB ALA A 32 1.431 -0.563 1.407 1.00 0.00 C ATOM 0 H ALA A 32 2.908 -2.316 0.497 1.00 0.00 H new ATOM 0 HA ALA A 32 0.095 -2.066 0.591 1.00 0.00 H new ATOM 0 HB1 ALA A 32 0.626 0.118 1.683 1.00 0.00 H new ATOM 0 HB2 ALA A 32 1.709 -1.165 2.272 1.00 0.00 H new ATOM 0 HB3 ALA A 32 2.294 0.012 1.072 1.00 0.00 H new ATOM 540 N ASP A 33 1.515 -0.065 -1.624 1.00 0.00 N ATOM 541 CA ASP A 33 1.181 0.798 -2.795 1.00 0.00 C ATOM 542 C ASP A 33 0.431 -0.018 -3.855 1.00 0.00 C ATOM 543 O ASP A 33 0.015 0.505 -4.868 1.00 0.00 O ATOM 544 CB ASP A 33 2.475 1.363 -3.387 1.00 0.00 C ATOM 545 CG ASP A 33 2.144 2.419 -4.442 1.00 0.00 C ATOM 546 OD1 ASP A 33 1.537 3.416 -4.088 1.00 0.00 O ATOM 547 OD2 ASP A 33 2.508 2.213 -5.588 1.00 0.00 O ATOM 0 H ASP A 33 2.511 -0.170 -1.432 1.00 0.00 H new ATOM 0 HA ASP A 33 0.540 1.618 -2.471 1.00 0.00 H new ATOM 0 HB2 ASP A 33 3.085 1.803 -2.598 1.00 0.00 H new ATOM 0 HB3 ASP A 33 3.062 0.561 -3.834 1.00 0.00 H new ATOM 552 N ASP A 34 0.248 -1.294 -3.632 1.00 0.00 N ATOM 553 CA ASP A 34 -0.482 -2.136 -4.630 1.00 0.00 C ATOM 554 C ASP A 34 -1.974 -2.151 -4.287 1.00 0.00 C ATOM 555 O ASP A 34 -2.810 -2.411 -5.129 1.00 0.00 O ATOM 556 CB ASP A 34 0.056 -3.567 -4.586 1.00 0.00 C ATOM 557 CG ASP A 34 -0.439 -4.341 -5.810 1.00 0.00 C ATOM 558 OD1 ASP A 34 -0.658 -3.716 -6.835 1.00 0.00 O ATOM 559 OD2 ASP A 34 -0.590 -5.546 -5.701 1.00 0.00 O ATOM 0 H ASP A 34 0.572 -1.790 -2.802 1.00 0.00 H new ATOM 0 HA ASP A 34 -0.336 -1.721 -5.627 1.00 0.00 H new ATOM 0 HB2 ASP A 34 1.146 -3.556 -4.567 1.00 0.00 H new ATOM 0 HB3 ASP A 34 -0.274 -4.062 -3.673 1.00 0.00 H new ATOM 564 N ILE A 35 -2.311 -1.872 -3.051 1.00 0.00 N ATOM 565 CA ILE A 35 -3.747 -1.859 -2.629 1.00 0.00 C ATOM 566 C ILE A 35 -4.045 -0.552 -1.903 1.00 0.00 C ATOM 567 O ILE A 35 -5.115 -0.366 -1.363 1.00 0.00 O ATOM 568 CB ILE A 35 -4.029 -3.044 -1.703 1.00 0.00 C ATOM 569 CG1 ILE A 35 -2.955 -3.126 -0.614 1.00 0.00 C ATOM 570 CG2 ILE A 35 -4.020 -4.333 -2.524 1.00 0.00 C ATOM 571 CD1 ILE A 35 -3.373 -4.150 0.446 1.00 0.00 C ATOM 0 H ILE A 35 -1.646 -1.651 -2.310 1.00 0.00 H new ATOM 0 HA ILE A 35 -4.385 -1.941 -3.509 1.00 0.00 H new ATOM 0 HB ILE A 35 -5.003 -2.910 -1.232 1.00 0.00 H new ATOM 0 HG12 ILE A 35 -1.999 -3.412 -1.053 1.00 0.00 H new ATOM 0 HG13 ILE A 35 -2.815 -2.148 -0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 35 -4.220 -5.182 -1.870 1.00 0.00 H new ATOM 0 HG22 ILE A 35 -4.789 -4.279 -3.295 1.00 0.00 H new ATOM 0 HG23 ILE A 35 -3.044 -4.459 -2.993 1.00 0.00 H new ATOM 0 HD11 ILE A 35 -2.607 -4.206 1.219 1.00 0.00 H new ATOM 0 HD12 ILE A 35 -4.319 -3.845 0.894 1.00 0.00 H new ATOM 0 HD13 ILE A 35 -3.491 -5.128 -0.020 1.00 0.00 H new ATOM 583 N LEU A 36 -3.103 0.361 -1.895 1.00 0.00 N ATOM 584 CA LEU A 36 -3.320 1.674 -1.217 1.00 0.00 C ATOM 585 C LEU A 36 -2.887 2.813 -2.160 1.00 0.00 C ATOM 586 O LEU A 36 -1.726 2.909 -2.512 1.00 0.00 O ATOM 587 CB LEU A 36 -2.490 1.733 0.068 1.00 0.00 C ATOM 588 CG LEU A 36 -3.137 0.824 1.137 1.00 0.00 C ATOM 589 CD1 LEU A 36 -2.069 0.346 2.124 1.00 0.00 C ATOM 590 CD2 LEU A 36 -4.220 1.599 1.902 1.00 0.00 C ATOM 0 H LEU A 36 -2.188 0.250 -2.332 1.00 0.00 H new ATOM 0 HA LEU A 36 -4.376 1.784 -0.970 1.00 0.00 H new ATOM 0 HB2 LEU A 36 -1.468 1.410 -0.130 1.00 0.00 H new ATOM 0 HB3 LEU A 36 -2.435 2.759 0.432 1.00 0.00 H new ATOM 0 HG LEU A 36 -3.589 -0.035 0.641 1.00 0.00 H new ATOM 0 HD11 LEU A 36 -2.529 -0.295 2.876 1.00 0.00 H new ATOM 0 HD12 LEU A 36 -1.304 -0.216 1.588 1.00 0.00 H new ATOM 0 HD13 LEU A 36 -1.612 1.207 2.611 1.00 0.00 H new ATOM 0 HD21 LEU A 36 -4.670 0.950 2.653 1.00 0.00 H new ATOM 0 HD22 LEU A 36 -3.772 2.464 2.391 1.00 0.00 H new ATOM 0 HD23 LEU A 36 -4.988 1.934 1.205 1.00 0.00 H new ATOM 602 N PRO A 37 -3.794 3.675 -2.572 1.00 0.00 N ATOM 603 CA PRO A 37 -3.450 4.804 -3.486 1.00 0.00 C ATOM 604 C PRO A 37 -2.213 5.585 -3.023 1.00 0.00 C ATOM 605 O PRO A 37 -2.016 5.824 -1.850 1.00 0.00 O ATOM 606 CB PRO A 37 -4.697 5.702 -3.444 1.00 0.00 C ATOM 607 CG PRO A 37 -5.830 4.792 -3.091 1.00 0.00 C ATOM 608 CD PRO A 37 -5.235 3.668 -2.238 1.00 0.00 C ATOM 0 HA PRO A 37 -3.200 4.447 -4.485 1.00 0.00 H new ATOM 0 HB2 PRO A 37 -4.585 6.495 -2.705 1.00 0.00 H new ATOM 0 HB3 PRO A 37 -4.866 6.185 -4.407 1.00 0.00 H new ATOM 0 HG2 PRO A 37 -6.602 5.329 -2.541 1.00 0.00 H new ATOM 0 HG3 PRO A 37 -6.299 4.391 -3.989 1.00 0.00 H new ATOM 0 HD2 PRO A 37 -5.397 3.848 -1.175 1.00 0.00 H new ATOM 0 HD3 PRO A 37 -5.692 2.707 -2.472 1.00 0.00 H new ATOM 616 N ASP A 38 -1.378 5.979 -3.947 1.00 0.00 N ATOM 617 CA ASP A 38 -0.151 6.737 -3.578 1.00 0.00 C ATOM 618 C ASP A 38 -0.525 7.873 -2.623 1.00 0.00 C ATOM 619 O ASP A 38 0.309 8.418 -1.927 1.00 0.00 O ATOM 620 CB ASP A 38 0.484 7.316 -4.846 1.00 0.00 C ATOM 621 CG ASP A 38 -0.539 8.183 -5.581 1.00 0.00 C ATOM 622 OD1 ASP A 38 -1.704 8.121 -5.225 1.00 0.00 O ATOM 623 OD2 ASP A 38 -0.140 8.892 -6.490 1.00 0.00 O ATOM 0 H ASP A 38 -1.495 5.807 -4.946 1.00 0.00 H new ATOM 0 HA ASP A 38 0.560 6.073 -3.087 1.00 0.00 H new ATOM 0 HB2 ASP A 38 1.361 7.910 -4.587 1.00 0.00 H new ATOM 0 HB3 ASP A 38 0.826 6.510 -5.495 1.00 0.00 H new ATOM 628 N GLN A 39 -1.775 8.233 -2.591 1.00 0.00 N ATOM 629 CA GLN A 39 -2.225 9.332 -1.692 1.00 0.00 C ATOM 630 C GLN A 39 -2.134 8.891 -0.225 1.00 0.00 C ATOM 631 O GLN A 39 -1.798 9.671 0.643 1.00 0.00 O ATOM 632 CB GLN A 39 -3.679 9.674 -2.023 1.00 0.00 C ATOM 633 CG GLN A 39 -3.770 10.211 -3.453 1.00 0.00 C ATOM 634 CD GLN A 39 -3.031 11.547 -3.551 1.00 0.00 C ATOM 635 OE1 GLN A 39 -2.108 11.704 -4.461 1.00 0.00 O flip ATOM 636 NE2 GLN A 39 -3.292 12.455 -2.790 1.00 0.00 N flip ATOM 0 H GLN A 39 -2.513 7.810 -3.154 1.00 0.00 H new ATOM 0 HA GLN A 39 -1.586 10.202 -1.840 1.00 0.00 H new ATOM 0 HB2 GLN A 39 -4.304 8.788 -1.917 1.00 0.00 H new ATOM 0 HB3 GLN A 39 -4.057 10.417 -1.321 1.00 0.00 H new ATOM 0 HG2 GLN A 39 -3.337 9.493 -4.149 1.00 0.00 H new ATOM 0 HG3 GLN A 39 -4.814 10.341 -3.737 1.00 0.00 H new ATOM 0 HE21 GLN A 39 -4.013 12.333 -2.079 1.00 0.00 H new ATOM 0 HE22 GLN A 39 -2.791 13.340 -2.861 1.00 0.00 H new ATOM 645 N TYR A 40 -2.452 7.653 0.060 1.00 0.00 N ATOM 646 CA TYR A 40 -2.409 7.157 1.474 1.00 0.00 C ATOM 647 C TYR A 40 -1.131 6.347 1.713 1.00 0.00 C ATOM 648 O TYR A 40 -1.022 5.619 2.680 1.00 0.00 O ATOM 649 CB TYR A 40 -3.639 6.283 1.735 1.00 0.00 C ATOM 650 CG TYR A 40 -4.880 7.143 1.670 1.00 0.00 C ATOM 651 CD1 TYR A 40 -5.346 7.786 2.824 1.00 0.00 C ATOM 652 CD2 TYR A 40 -5.563 7.302 0.457 1.00 0.00 C ATOM 653 CE1 TYR A 40 -6.494 8.587 2.766 1.00 0.00 C ATOM 654 CE2 TYR A 40 -6.711 8.102 0.400 1.00 0.00 C ATOM 655 CZ TYR A 40 -7.176 8.744 1.553 1.00 0.00 C ATOM 656 OH TYR A 40 -8.306 9.535 1.496 1.00 0.00 O ATOM 0 H TYR A 40 -2.742 6.959 -0.629 1.00 0.00 H new ATOM 0 HA TYR A 40 -2.412 8.007 2.156 1.00 0.00 H new ATOM 0 HB2 TYR A 40 -3.696 5.484 0.996 1.00 0.00 H new ATOM 0 HB3 TYR A 40 -3.562 5.808 2.713 1.00 0.00 H new ATOM 0 HD1 TYR A 40 -4.820 7.664 3.759 1.00 0.00 H new ATOM 0 HD2 TYR A 40 -5.204 6.808 -0.434 1.00 0.00 H new ATOM 0 HE1 TYR A 40 -6.853 9.083 3.656 1.00 0.00 H new ATOM 0 HE2 TYR A 40 -7.238 8.224 -0.535 1.00 0.00 H new ATOM 0 HH TYR A 40 -8.657 9.538 0.581 1.00 0.00 H new ATOM 666 N VAL A 41 -0.164 6.471 0.838 1.00 0.00 N ATOM 667 CA VAL A 41 1.124 5.722 0.999 1.00 0.00 C ATOM 668 C VAL A 41 2.243 6.718 1.333 1.00 0.00 C ATOM 669 O VAL A 41 3.123 6.435 2.120 1.00 0.00 O ATOM 670 CB VAL A 41 1.454 5.001 -0.312 1.00 0.00 C ATOM 671 CG1 VAL A 41 2.745 4.205 -0.152 1.00 0.00 C ATOM 672 CG2 VAL A 41 0.308 4.049 -0.688 1.00 0.00 C ATOM 0 H VAL A 41 -0.211 7.065 0.010 1.00 0.00 H new ATOM 0 HA VAL A 41 1.032 4.991 1.802 1.00 0.00 H new ATOM 0 HB VAL A 41 1.581 5.741 -1.102 1.00 0.00 H new ATOM 0 HG11 VAL A 41 2.976 3.694 -1.087 1.00 0.00 H new ATOM 0 HG12 VAL A 41 3.561 4.882 0.102 1.00 0.00 H new ATOM 0 HG13 VAL A 41 2.623 3.469 0.643 1.00 0.00 H new ATOM 0 HG21 VAL A 41 0.549 3.540 -1.621 1.00 0.00 H new ATOM 0 HG22 VAL A 41 0.173 3.312 0.103 1.00 0.00 H new ATOM 0 HG23 VAL A 41 -0.612 4.619 -0.813 1.00 0.00 H new ATOM 682 N ARG A 42 2.215 7.880 0.734 1.00 0.00 N ATOM 683 CA ARG A 42 3.274 8.898 1.007 1.00 0.00 C ATOM 684 C ARG A 42 3.253 9.285 2.493 1.00 0.00 C ATOM 685 O ARG A 42 4.280 9.381 3.133 1.00 0.00 O ATOM 686 CB ARG A 42 3.005 10.151 0.163 1.00 0.00 C ATOM 687 CG ARG A 42 3.289 9.862 -1.315 1.00 0.00 C ATOM 688 CD ARG A 42 2.989 11.112 -2.153 1.00 0.00 C ATOM 689 NE ARG A 42 1.519 11.378 -2.141 1.00 0.00 N ATOM 690 CZ ARG A 42 1.030 12.430 -2.746 1.00 0.00 C ATOM 691 NH1 ARG A 42 1.821 13.271 -3.356 1.00 0.00 N ATOM 692 NH2 ARG A 42 -0.259 12.643 -2.736 1.00 0.00 N ATOM 0 H ARG A 42 1.502 8.169 0.065 1.00 0.00 H new ATOM 0 HA ARG A 42 4.247 8.478 0.752 1.00 0.00 H new ATOM 0 HB2 ARG A 42 1.969 10.467 0.287 1.00 0.00 H new ATOM 0 HB3 ARG A 42 3.633 10.973 0.508 1.00 0.00 H new ATOM 0 HG2 ARG A 42 4.330 9.567 -1.444 1.00 0.00 H new ATOM 0 HG3 ARG A 42 2.676 9.028 -1.657 1.00 0.00 H new ATOM 0 HD2 ARG A 42 3.528 11.970 -1.752 1.00 0.00 H new ATOM 0 HD3 ARG A 42 3.335 10.969 -3.177 1.00 0.00 H new ATOM 0 HE ARG A 42 0.892 10.735 -1.658 1.00 0.00 H new ATOM 0 HH11 ARG A 42 2.828 13.110 -3.363 1.00 0.00 H new ATOM 0 HH12 ARG A 42 1.432 14.089 -3.825 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -0.880 11.990 -2.258 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -0.644 13.462 -3.206 1.00 0.00 H new ATOM 706 N LEU A 43 2.092 9.512 3.044 1.00 0.00 N ATOM 707 CA LEU A 43 2.004 9.895 4.484 1.00 0.00 C ATOM 708 C LEU A 43 2.448 8.723 5.355 1.00 0.00 C ATOM 709 O LEU A 43 3.109 8.892 6.360 1.00 0.00 O ATOM 710 CB LEU A 43 0.558 10.250 4.826 1.00 0.00 C ATOM 711 CG LEU A 43 0.033 11.303 3.845 1.00 0.00 C ATOM 712 CD1 LEU A 43 -1.433 11.609 4.167 1.00 0.00 C ATOM 713 CD2 LEU A 43 0.867 12.589 3.963 1.00 0.00 C ATOM 0 H LEU A 43 1.197 9.449 2.558 1.00 0.00 H new ATOM 0 HA LEU A 43 2.650 10.753 4.668 1.00 0.00 H new ATOM 0 HB2 LEU A 43 -0.065 9.357 4.782 1.00 0.00 H new ATOM 0 HB3 LEU A 43 0.499 10.629 5.846 1.00 0.00 H new ATOM 0 HG LEU A 43 0.112 10.920 2.827 1.00 0.00 H new ATOM 0 HD11 LEU A 43 -1.810 12.358 3.471 1.00 0.00 H new ATOM 0 HD12 LEU A 43 -2.024 10.698 4.074 1.00 0.00 H new ATOM 0 HD13 LEU A 43 -1.510 11.989 5.186 1.00 0.00 H new ATOM 0 HD21 LEU A 43 0.489 13.334 3.263 1.00 0.00 H new ATOM 0 HD22 LEU A 43 0.796 12.977 4.979 1.00 0.00 H new ATOM 0 HD23 LEU A 43 1.909 12.369 3.731 1.00 0.00 H new ATOM 725 N GLY A 44 2.065 7.536 4.985 1.00 0.00 N ATOM 726 CA GLY A 44 2.436 6.337 5.789 1.00 0.00 C ATOM 727 C GLY A 44 3.779 5.758 5.293 1.00 0.00 C ATOM 728 O GLY A 44 3.858 5.270 4.180 1.00 0.00 O ATOM 0 H GLY A 44 1.506 7.341 4.154 1.00 0.00 H new ATOM 0 HA2 GLY A 44 2.514 6.606 6.842 1.00 0.00 H new ATOM 0 HA3 GLY A 44 1.654 5.581 5.711 1.00 0.00 H new ATOM 732 N PRO A 45 4.826 5.769 6.100 1.00 0.00 N ATOM 733 CA PRO A 45 6.143 5.186 5.692 1.00 0.00 C ATOM 734 C PRO A 45 5.977 3.768 5.123 1.00 0.00 C ATOM 735 O PRO A 45 6.922 3.145 4.683 1.00 0.00 O ATOM 736 CB PRO A 45 6.954 5.153 6.998 1.00 0.00 C ATOM 737 CG PRO A 45 6.370 6.239 7.845 1.00 0.00 C ATOM 738 CD PRO A 45 4.888 6.341 7.461 1.00 0.00 C ATOM 0 HA PRO A 45 6.625 5.767 4.905 1.00 0.00 H new ATOM 0 HB2 PRO A 45 6.872 4.183 7.489 1.00 0.00 H new ATOM 0 HB3 PRO A 45 8.013 5.327 6.809 1.00 0.00 H new ATOM 0 HG2 PRO A 45 6.481 6.007 8.904 1.00 0.00 H new ATOM 0 HG3 PRO A 45 6.882 7.185 7.670 1.00 0.00 H new ATOM 0 HD2 PRO A 45 4.258 5.786 8.155 1.00 0.00 H new ATOM 0 HD3 PRO A 45 4.543 7.375 7.475 1.00 0.00 H new ATOM 746 N LEU A 46 4.776 3.263 5.128 1.00 0.00 N ATOM 747 CA LEU A 46 4.524 1.899 4.593 1.00 0.00 C ATOM 748 C LEU A 46 4.912 1.874 3.109 1.00 0.00 C ATOM 749 O LEU A 46 4.775 0.873 2.437 1.00 0.00 O ATOM 750 CB LEU A 46 3.029 1.576 4.732 1.00 0.00 C ATOM 751 CG LEU A 46 2.537 1.928 6.143 1.00 0.00 C ATOM 752 CD1 LEU A 46 1.030 1.683 6.235 1.00 0.00 C ATOM 753 CD2 LEU A 46 3.264 1.057 7.175 1.00 0.00 C ATOM 0 H LEU A 46 3.950 3.743 5.484 1.00 0.00 H new ATOM 0 HA LEU A 46 5.111 1.163 5.143 1.00 0.00 H new ATOM 0 HB2 LEU A 46 2.459 2.135 3.990 1.00 0.00 H new ATOM 0 HB3 LEU A 46 2.859 0.518 4.533 1.00 0.00 H new ATOM 0 HG LEU A 46 2.746 2.978 6.347 1.00 0.00 H new ATOM 0 HD11 LEU A 46 0.681 1.933 7.237 1.00 0.00 H new ATOM 0 HD12 LEU A 46 0.515 2.307 5.505 1.00 0.00 H new ATOM 0 HD13 LEU A 46 0.819 0.634 6.029 1.00 0.00 H new ATOM 0 HD21 LEU A 46 2.913 1.309 8.176 1.00 0.00 H new ATOM 0 HD22 LEU A 46 3.059 0.006 6.973 1.00 0.00 H new ATOM 0 HD23 LEU A 46 4.337 1.237 7.111 1.00 0.00 H new ATOM 765 N SER A 47 5.385 2.978 2.594 1.00 0.00 N ATOM 766 CA SER A 47 5.769 3.033 1.153 1.00 0.00 C ATOM 767 C SER A 47 6.751 1.908 0.817 1.00 0.00 C ATOM 768 O SER A 47 7.677 1.630 1.549 1.00 0.00 O ATOM 769 CB SER A 47 6.420 4.385 0.859 1.00 0.00 C ATOM 770 OG SER A 47 6.924 4.383 -0.469 1.00 0.00 O ATOM 0 H SER A 47 5.522 3.847 3.111 1.00 0.00 H new ATOM 0 HA SER A 47 4.875 2.909 0.542 1.00 0.00 H new ATOM 0 HB2 SER A 47 5.692 5.187 0.983 1.00 0.00 H new ATOM 0 HB3 SER A 47 7.227 4.575 1.567 1.00 0.00 H new ATOM 0 HG SER A 47 7.341 5.249 -0.662 1.00 0.00 H new ATOM 776 N ASN A 48 6.534 1.257 -0.298 1.00 0.00 N ATOM 777 CA ASN A 48 7.424 0.136 -0.720 1.00 0.00 C ATOM 778 C ASN A 48 7.510 -0.902 0.399 1.00 0.00 C ATOM 779 O ASN A 48 8.237 -1.870 0.303 1.00 0.00 O ATOM 780 CB ASN A 48 8.825 0.669 -1.031 1.00 0.00 C ATOM 781 CG ASN A 48 8.766 1.568 -2.266 1.00 0.00 C ATOM 782 OD1 ASN A 48 7.907 1.407 -3.108 1.00 0.00 O ATOM 783 ND2 ASN A 48 9.649 2.519 -2.409 1.00 0.00 N ATOM 0 H ASN A 48 5.768 1.458 -0.941 1.00 0.00 H new ATOM 0 HA ASN A 48 7.010 -0.328 -1.615 1.00 0.00 H new ATOM 0 HB2 ASN A 48 9.210 1.229 -0.179 1.00 0.00 H new ATOM 0 HB3 ASN A 48 9.511 -0.160 -1.204 1.00 0.00 H new ATOM 0 HD21 ASN A 48 9.617 3.126 -3.228 1.00 0.00 H new ATOM 0 HD22 ASN A 48 10.371 2.655 -1.702 1.00 0.00 H new ATOM 790 N LYS A 49 6.772 -0.716 1.461 1.00 0.00 N ATOM 791 CA LYS A 49 6.818 -1.701 2.580 1.00 0.00 C ATOM 792 C LYS A 49 5.846 -2.850 2.304 1.00 0.00 C ATOM 793 O LYS A 49 4.715 -2.644 1.907 1.00 0.00 O ATOM 794 CB LYS A 49 6.443 -1.000 3.892 1.00 0.00 C ATOM 795 CG LYS A 49 6.950 -1.824 5.082 1.00 0.00 C ATOM 796 CD LYS A 49 6.703 -1.056 6.380 1.00 0.00 C ATOM 797 CE LYS A 49 7.221 -1.878 7.560 1.00 0.00 C ATOM 798 NZ LYS A 49 6.985 -1.131 8.827 1.00 0.00 N ATOM 0 H LYS A 49 6.141 0.073 1.602 1.00 0.00 H new ATOM 0 HA LYS A 49 7.826 -2.107 2.663 1.00 0.00 H new ATOM 0 HB2 LYS A 49 6.877 -0.000 3.918 1.00 0.00 H new ATOM 0 HB3 LYS A 49 5.361 -0.880 3.955 1.00 0.00 H new ATOM 0 HG2 LYS A 49 6.440 -2.787 5.114 1.00 0.00 H new ATOM 0 HG3 LYS A 49 8.014 -2.031 4.967 1.00 0.00 H new ATOM 0 HD2 LYS A 49 7.207 -0.090 6.346 1.00 0.00 H new ATOM 0 HD3 LYS A 49 5.638 -0.856 6.501 1.00 0.00 H new ATOM 0 HE2 LYS A 49 6.715 -2.843 7.595 1.00 0.00 H new ATOM 0 HE3 LYS A 49 8.285 -2.080 7.437 1.00 0.00 H new ATOM 0 HZ1 LYS A 49 6.877 -1.804 9.612 1.00 0.00 H new ATOM 0 HZ2 LYS A 49 7.793 -0.505 9.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 49 6.119 -0.562 8.738 1.00 0.00 H new ATOM 812 N ILE A 50 6.284 -4.061 2.512 1.00 0.00 N ATOM 813 CA ILE A 50 5.401 -5.237 2.268 1.00 0.00 C ATOM 814 C ILE A 50 4.630 -5.566 3.547 1.00 0.00 C ATOM 815 O ILE A 50 5.205 -5.914 4.559 1.00 0.00 O ATOM 816 CB ILE A 50 6.274 -6.424 1.860 1.00 0.00 C ATOM 817 CG1 ILE A 50 6.921 -6.114 0.508 1.00 0.00 C ATOM 818 CG2 ILE A 50 5.419 -7.685 1.746 1.00 0.00 C ATOM 819 CD1 ILE A 50 7.996 -7.156 0.196 1.00 0.00 C ATOM 0 H ILE A 50 7.222 -4.288 2.843 1.00 0.00 H new ATOM 0 HA ILE A 50 4.687 -5.018 1.474 1.00 0.00 H new ATOM 0 HB ILE A 50 7.045 -6.591 2.612 1.00 0.00 H new ATOM 0 HG12 ILE A 50 6.164 -6.114 -0.276 1.00 0.00 H new ATOM 0 HG13 ILE A 50 7.362 -5.117 0.526 1.00 0.00 H new ATOM 0 HG21 ILE A 50 6.048 -8.526 1.455 1.00 0.00 H new ATOM 0 HG22 ILE A 50 4.953 -7.897 2.708 1.00 0.00 H new ATOM 0 HG23 ILE A 50 4.645 -7.533 0.993 1.00 0.00 H new ATOM 0 HD11 ILE A 50 8.453 -6.930 -0.767 1.00 0.00 H new ATOM 0 HD12 ILE A 50 8.760 -7.135 0.974 1.00 0.00 H new ATOM 0 HD13 ILE A 50 7.543 -8.147 0.159 1.00 0.00 H new ATOM 831 N LEU A 51 3.325 -5.446 3.505 1.00 0.00 N ATOM 832 CA LEU A 51 2.483 -5.734 4.712 1.00 0.00 C ATOM 833 C LEU A 51 1.727 -7.048 4.503 1.00 0.00 C ATOM 834 O LEU A 51 1.398 -7.425 3.390 1.00 0.00 O ATOM 835 CB LEU A 51 1.483 -4.581 4.922 1.00 0.00 C ATOM 836 CG LEU A 51 2.141 -3.449 5.724 1.00 0.00 C ATOM 837 CD1 LEU A 51 3.303 -2.846 4.927 1.00 0.00 C ATOM 838 CD2 LEU A 51 1.098 -2.366 6.015 1.00 0.00 C ATOM 0 H LEU A 51 2.801 -5.158 2.679 1.00 0.00 H new ATOM 0 HA LEU A 51 3.119 -5.823 5.593 1.00 0.00 H new ATOM 0 HB2 LEU A 51 1.144 -4.204 3.957 1.00 0.00 H new ATOM 0 HB3 LEU A 51 0.602 -4.946 5.449 1.00 0.00 H new ATOM 0 HG LEU A 51 2.528 -3.849 6.662 1.00 0.00 H new ATOM 0 HD11 LEU A 51 3.763 -2.044 5.505 1.00 0.00 H new ATOM 0 HD12 LEU A 51 4.045 -3.619 4.724 1.00 0.00 H new ATOM 0 HD13 LEU A 51 2.929 -2.446 3.985 1.00 0.00 H new ATOM 0 HD21 LEU A 51 1.560 -1.560 6.584 1.00 0.00 H new ATOM 0 HD22 LEU A 51 0.711 -1.971 5.075 1.00 0.00 H new ATOM 0 HD23 LEU A 51 0.279 -2.795 6.593 1.00 0.00 H new ATOM 850 N GLN A 52 1.453 -7.748 5.571 1.00 0.00 N ATOM 851 CA GLN A 52 0.723 -9.036 5.451 1.00 0.00 C ATOM 852 C GLN A 52 -0.765 -8.749 5.246 1.00 0.00 C ATOM 853 O GLN A 52 -1.469 -8.377 6.164 1.00 0.00 O ATOM 854 CB GLN A 52 0.941 -9.841 6.734 1.00 0.00 C ATOM 855 CG GLN A 52 2.409 -10.271 6.798 1.00 0.00 C ATOM 856 CD GLN A 52 2.691 -10.976 8.124 1.00 0.00 C ATOM 857 OE1 GLN A 52 2.119 -10.640 9.140 1.00 0.00 O ATOM 858 NE2 GLN A 52 3.563 -11.947 8.155 1.00 0.00 N ATOM 0 H GLN A 52 1.705 -7.480 6.522 1.00 0.00 H new ATOM 0 HA GLN A 52 1.091 -9.609 4.600 1.00 0.00 H new ATOM 0 HB2 GLN A 52 0.685 -9.239 7.606 1.00 0.00 H new ATOM 0 HB3 GLN A 52 0.290 -10.715 6.747 1.00 0.00 H new ATOM 0 HG2 GLN A 52 2.637 -10.938 5.967 1.00 0.00 H new ATOM 0 HG3 GLN A 52 3.056 -9.400 6.695 1.00 0.00 H new ATOM 0 HE21 GLN A 52 4.043 -12.229 7.300 1.00 0.00 H new ATOM 0 HE22 GLN A 52 3.764 -12.424 9.034 1.00 0.00 H new ATOM 867 N THR A 53 -1.245 -8.904 4.043 1.00 0.00 N ATOM 868 CA THR A 53 -2.682 -8.622 3.769 1.00 0.00 C ATOM 869 C THR A 53 -3.537 -9.838 4.125 1.00 0.00 C ATOM 870 O THR A 53 -3.053 -10.947 4.229 1.00 0.00 O ATOM 871 CB THR A 53 -2.851 -8.305 2.279 1.00 0.00 C ATOM 872 OG1 THR A 53 -2.815 -9.517 1.538 1.00 0.00 O ATOM 873 CG2 THR A 53 -1.718 -7.386 1.809 1.00 0.00 C ATOM 0 H THR A 53 -0.703 -9.214 3.237 1.00 0.00 H new ATOM 0 HA THR A 53 -3.003 -7.774 4.374 1.00 0.00 H new ATOM 0 HB THR A 53 -3.806 -7.803 2.122 1.00 0.00 H new ATOM 0 HG1 THR A 53 -1.991 -10.004 1.748 1.00 0.00 H new ATOM 0 HG21 THR A 53 -1.845 -7.165 0.749 1.00 0.00 H new ATOM 0 HG22 THR A 53 -1.743 -6.457 2.379 1.00 0.00 H new ATOM 0 HG23 THR A 53 -0.760 -7.881 1.964 1.00 0.00 H new ATOM 881 N ASN A 54 -4.815 -9.632 4.295 1.00 0.00 N ATOM 882 CA ASN A 54 -5.733 -10.759 4.629 1.00 0.00 C ATOM 883 C ASN A 54 -7.097 -10.454 4.014 1.00 0.00 C ATOM 884 O ASN A 54 -7.960 -9.868 4.638 1.00 0.00 O ATOM 885 CB ASN A 54 -5.846 -10.891 6.152 1.00 0.00 C ATOM 886 CG ASN A 54 -4.643 -11.678 6.682 1.00 0.00 C ATOM 887 OD1 ASN A 54 -4.715 -12.878 6.850 1.00 0.00 O ATOM 888 ND2 ASN A 54 -3.528 -11.050 6.934 1.00 0.00 N ATOM 0 H ASN A 54 -5.267 -8.721 4.216 1.00 0.00 H new ATOM 0 HA ASN A 54 -5.353 -11.700 4.232 1.00 0.00 H new ATOM 0 HB2 ASN A 54 -5.881 -9.904 6.613 1.00 0.00 H new ATOM 0 HB3 ASN A 54 -6.773 -11.399 6.417 1.00 0.00 H new ATOM 0 HD21 ASN A 54 -2.717 -11.567 7.272 1.00 0.00 H new ATOM 0 HD22 ASN A 54 -3.467 -10.042 6.793 1.00 0.00 H new ATOM 895 N THR A 55 -7.285 -10.827 2.777 1.00 0.00 N ATOM 896 CA THR A 55 -8.576 -10.539 2.093 1.00 0.00 C ATOM 897 C THR A 55 -9.606 -11.609 2.441 1.00 0.00 C ATOM 898 O THR A 55 -9.339 -12.792 2.366 1.00 0.00 O ATOM 899 CB THR A 55 -8.348 -10.519 0.582 1.00 0.00 C ATOM 900 OG1 THR A 55 -7.241 -9.678 0.291 1.00 0.00 O ATOM 901 CG2 THR A 55 -9.595 -9.981 -0.120 1.00 0.00 C ATOM 0 H THR A 55 -6.596 -11.321 2.209 1.00 0.00 H new ATOM 0 HA THR A 55 -8.951 -9.570 2.424 1.00 0.00 H new ATOM 0 HB THR A 55 -8.146 -11.530 0.229 1.00 0.00 H new ATOM 0 HG1 THR A 55 -7.088 -9.662 -0.677 1.00 0.00 H new ATOM 0 HG21 THR A 55 -9.429 -9.968 -1.197 1.00 0.00 H new ATOM 0 HG22 THR A 55 -10.446 -10.622 0.108 1.00 0.00 H new ATOM 0 HG23 THR A 55 -9.800 -8.968 0.228 1.00 0.00 H new ATOM 909 N TYR A 56 -10.788 -11.196 2.822 1.00 0.00 N ATOM 910 CA TYR A 56 -11.860 -12.171 3.180 1.00 0.00 C ATOM 911 C TYR A 56 -12.910 -12.165 2.071 1.00 0.00 C ATOM 912 O TYR A 56 -13.260 -11.125 1.552 1.00 0.00 O ATOM 913 CB TYR A 56 -12.513 -11.732 4.487 1.00 0.00 C ATOM 914 CG TYR A 56 -11.464 -11.642 5.566 1.00 0.00 C ATOM 915 CD1 TYR A 56 -10.719 -10.467 5.712 1.00 0.00 C ATOM 916 CD2 TYR A 56 -11.236 -12.727 6.419 1.00 0.00 C ATOM 917 CE1 TYR A 56 -9.746 -10.374 6.711 1.00 0.00 C ATOM 918 CE2 TYR A 56 -10.261 -12.636 7.419 1.00 0.00 C ATOM 919 CZ TYR A 56 -9.516 -11.460 7.565 1.00 0.00 C ATOM 920 OH TYR A 56 -8.555 -11.370 8.552 1.00 0.00 O ATOM 0 H TYR A 56 -11.058 -10.215 2.901 1.00 0.00 H new ATOM 0 HA TYR A 56 -11.440 -13.170 3.296 1.00 0.00 H new ATOM 0 HB2 TYR A 56 -13.000 -10.766 4.356 1.00 0.00 H new ATOM 0 HB3 TYR A 56 -13.287 -12.443 4.776 1.00 0.00 H new ATOM 0 HD1 TYR A 56 -10.896 -9.631 5.052 1.00 0.00 H new ATOM 0 HD2 TYR A 56 -11.812 -13.634 6.306 1.00 0.00 H new ATOM 0 HE1 TYR A 56 -9.172 -9.466 6.824 1.00 0.00 H new ATOM 0 HE2 TYR A 56 -10.083 -13.473 8.078 1.00 0.00 H new ATOM 0 HH TYR A 56 -8.524 -12.210 9.056 1.00 0.00 H new ATOM 930 N TYR A 57 -13.423 -13.307 1.699 1.00 0.00 N ATOM 931 CA TYR A 57 -14.454 -13.334 0.621 1.00 0.00 C ATOM 932 C TYR A 57 -15.393 -14.517 0.835 1.00 0.00 C ATOM 933 O TYR A 57 -14.977 -15.593 1.212 1.00 0.00 O ATOM 934 CB TYR A 57 -13.772 -13.463 -0.742 1.00 0.00 C ATOM 935 CG TYR A 57 -13.051 -14.788 -0.843 1.00 0.00 C ATOM 936 CD1 TYR A 57 -11.716 -14.894 -0.434 1.00 0.00 C ATOM 937 CD2 TYR A 57 -13.715 -15.907 -1.362 1.00 0.00 C ATOM 938 CE1 TYR A 57 -11.046 -16.119 -0.543 1.00 0.00 C ATOM 939 CE2 TYR A 57 -13.044 -17.131 -1.473 1.00 0.00 C ATOM 940 CZ TYR A 57 -11.709 -17.236 -1.063 1.00 0.00 C ATOM 941 OH TYR A 57 -11.046 -18.442 -1.177 1.00 0.00 O ATOM 0 H TYR A 57 -13.176 -14.216 2.091 1.00 0.00 H new ATOM 0 HA TYR A 57 -15.028 -12.408 0.652 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -14.514 -13.383 -1.537 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -13.065 -12.645 -0.882 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -11.203 -14.031 -0.035 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -14.745 -15.826 -1.677 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -10.017 -16.202 -0.226 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -13.556 -17.993 -1.874 1.00 0.00 H new ATOM 0 HH TYR A 57 -11.696 -19.160 -1.327 1.00 0.00 H new ATOM 951 N SER A 58 -16.664 -14.322 0.588 1.00 0.00 N ATOM 952 CA SER A 58 -17.657 -15.426 0.762 1.00 0.00 C ATOM 953 C SER A 58 -18.620 -15.425 -0.427 1.00 0.00 C ATOM 954 O SER A 58 -18.558 -14.570 -1.288 1.00 0.00 O ATOM 955 CB SER A 58 -18.449 -15.210 2.050 1.00 0.00 C ATOM 956 OG SER A 58 -19.389 -16.265 2.203 1.00 0.00 O ATOM 0 H SER A 58 -17.060 -13.437 0.270 1.00 0.00 H new ATOM 0 HA SER A 58 -17.133 -16.380 0.816 1.00 0.00 H new ATOM 0 HB2 SER A 58 -17.774 -15.181 2.906 1.00 0.00 H new ATOM 0 HB3 SER A 58 -18.964 -14.250 2.018 1.00 0.00 H new ATOM 0 HG SER A 58 -19.632 -16.352 3.148 1.00 0.00 H new ATOM 962 N ASP A 59 -19.500 -16.381 -0.482 1.00 0.00 N ATOM 963 CA ASP A 59 -20.467 -16.455 -1.614 1.00 0.00 C ATOM 964 C ASP A 59 -21.297 -15.166 -1.695 1.00 0.00 C ATOM 965 O ASP A 59 -21.305 -14.482 -2.699 1.00 0.00 O ATOM 966 CB ASP A 59 -21.412 -17.627 -1.362 1.00 0.00 C ATOM 967 CG ASP A 59 -20.644 -18.943 -1.470 1.00 0.00 C ATOM 968 OD1 ASP A 59 -19.525 -18.919 -1.955 1.00 0.00 O ATOM 969 OD2 ASP A 59 -21.189 -19.957 -1.064 1.00 0.00 O ATOM 0 H ASP A 59 -19.594 -17.122 0.213 1.00 0.00 H new ATOM 0 HA ASP A 59 -19.920 -16.585 -2.548 1.00 0.00 H new ATOM 0 HB2 ASP A 59 -21.861 -17.538 -0.373 1.00 0.00 H new ATOM 0 HB3 ASP A 59 -22.227 -17.611 -2.085 1.00 0.00 H new ATOM 974 N THR A 60 -22.008 -14.841 -0.651 1.00 0.00 N ATOM 975 CA THR A 60 -22.854 -13.611 -0.664 1.00 0.00 C ATOM 976 C THR A 60 -21.972 -12.364 -0.599 1.00 0.00 C ATOM 977 O THR A 60 -22.253 -11.361 -1.222 1.00 0.00 O ATOM 978 CB THR A 60 -23.792 -13.635 0.547 1.00 0.00 C ATOM 979 OG1 THR A 60 -24.656 -12.506 0.502 1.00 0.00 O ATOM 980 CG2 THR A 60 -22.968 -13.601 1.835 1.00 0.00 C ATOM 0 H THR A 60 -22.041 -15.377 0.216 1.00 0.00 H new ATOM 0 HA THR A 60 -23.436 -13.585 -1.585 1.00 0.00 H new ATOM 0 HB THR A 60 -24.388 -14.547 0.525 1.00 0.00 H new ATOM 0 HG1 THR A 60 -25.257 -12.523 1.276 1.00 0.00 H new ATOM 0 HG21 THR A 60 -23.637 -13.618 2.695 1.00 0.00 H new ATOM 0 HG22 THR A 60 -22.310 -14.470 1.869 1.00 0.00 H new ATOM 0 HG23 THR A 60 -22.369 -12.691 1.860 1.00 0.00 H new ATOM 988 N LEU A 61 -20.920 -12.410 0.166 1.00 0.00 N ATOM 989 CA LEU A 61 -20.037 -11.218 0.285 1.00 0.00 C ATOM 990 C LEU A 61 -19.420 -10.898 -1.076 1.00 0.00 C ATOM 991 O LEU A 61 -19.333 -9.756 -1.479 1.00 0.00 O ATOM 992 CB LEU A 61 -18.923 -11.513 1.293 1.00 0.00 C ATOM 993 CG LEU A 61 -18.053 -10.263 1.511 1.00 0.00 C ATOM 994 CD1 LEU A 61 -18.900 -9.121 2.105 1.00 0.00 C ATOM 995 CD2 LEU A 61 -16.899 -10.607 2.466 1.00 0.00 C ATOM 0 H LEU A 61 -20.633 -13.221 0.714 1.00 0.00 H new ATOM 0 HA LEU A 61 -20.623 -10.364 0.625 1.00 0.00 H new ATOM 0 HB2 LEU A 61 -19.356 -11.832 2.241 1.00 0.00 H new ATOM 0 HB3 LEU A 61 -18.305 -12.335 0.932 1.00 0.00 H new ATOM 0 HG LEU A 61 -17.649 -9.936 0.553 1.00 0.00 H new ATOM 0 HD11 LEU A 61 -18.272 -8.242 2.254 1.00 0.00 H new ATOM 0 HD12 LEU A 61 -19.711 -8.875 1.420 1.00 0.00 H new ATOM 0 HD13 LEU A 61 -19.316 -9.436 3.062 1.00 0.00 H new ATOM 0 HD21 LEU A 61 -16.281 -9.723 2.623 1.00 0.00 H new ATOM 0 HD22 LEU A 61 -17.304 -10.940 3.421 1.00 0.00 H new ATOM 0 HD23 LEU A 61 -16.292 -11.402 2.032 1.00 0.00 H new ATOM 1007 N HIS A 62 -18.986 -11.901 -1.783 1.00 0.00 N ATOM 1008 CA HIS A 62 -18.369 -11.668 -3.117 1.00 0.00 C ATOM 1009 C HIS A 62 -19.424 -11.108 -4.075 1.00 0.00 C ATOM 1010 O HIS A 62 -19.155 -10.232 -4.871 1.00 0.00 O ATOM 1011 CB HIS A 62 -17.834 -12.992 -3.658 1.00 0.00 C ATOM 1012 CG HIS A 62 -17.167 -12.757 -4.982 1.00 0.00 C ATOM 1013 ND1 HIS A 62 -15.815 -12.468 -5.088 1.00 0.00 N ATOM 1014 CD2 HIS A 62 -17.653 -12.759 -6.263 1.00 0.00 C ATOM 1015 CE1 HIS A 62 -15.538 -12.307 -6.395 1.00 0.00 C ATOM 1016 NE2 HIS A 62 -16.623 -12.473 -7.155 1.00 0.00 N ATOM 0 H HIS A 62 -19.032 -12.878 -1.493 1.00 0.00 H new ATOM 0 HA HIS A 62 -17.551 -10.954 -3.026 1.00 0.00 H new ATOM 0 HB2 HIS A 62 -17.125 -13.425 -2.953 1.00 0.00 H new ATOM 0 HB3 HIS A 62 -18.649 -13.707 -3.771 1.00 0.00 H new ATOM 0 HD2 HIS A 62 -18.679 -12.953 -6.539 1.00 0.00 H new ATOM 0 HE1 HIS A 62 -14.557 -12.072 -6.782 1.00 0.00 H new ATOM 0 HE2 HIS A 62 -16.684 -12.405 -8.171 1.00 0.00 H new ATOM 1024 N LYS A 63 -20.620 -11.621 -4.007 1.00 0.00 N ATOM 1025 CA LYS A 63 -21.703 -11.139 -4.911 1.00 0.00 C ATOM 1026 C LYS A 63 -21.964 -9.650 -4.658 1.00 0.00 C ATOM 1027 O LYS A 63 -22.180 -8.885 -5.575 1.00 0.00 O ATOM 1028 CB LYS A 63 -22.977 -11.937 -4.624 1.00 0.00 C ATOM 1029 CG LYS A 63 -24.069 -11.549 -5.623 1.00 0.00 C ATOM 1030 CD LYS A 63 -25.316 -12.402 -5.378 1.00 0.00 C ATOM 1031 CE LYS A 63 -26.402 -12.026 -6.389 1.00 0.00 C ATOM 1032 NZ LYS A 63 -27.602 -12.882 -6.172 1.00 0.00 N ATOM 0 H LYS A 63 -20.897 -12.359 -3.360 1.00 0.00 H new ATOM 0 HA LYS A 63 -21.404 -11.276 -5.950 1.00 0.00 H new ATOM 0 HB2 LYS A 63 -22.771 -13.005 -4.693 1.00 0.00 H new ATOM 0 HB3 LYS A 63 -23.317 -11.743 -3.607 1.00 0.00 H new ATOM 0 HG2 LYS A 63 -24.313 -10.492 -5.518 1.00 0.00 H new ATOM 0 HG3 LYS A 63 -23.711 -11.694 -6.642 1.00 0.00 H new ATOM 0 HD2 LYS A 63 -25.069 -13.460 -5.471 1.00 0.00 H new ATOM 0 HD3 LYS A 63 -25.681 -12.247 -4.363 1.00 0.00 H new ATOM 0 HE2 LYS A 63 -26.668 -10.975 -6.279 1.00 0.00 H new ATOM 0 HE3 LYS A 63 -26.029 -12.156 -7.405 1.00 0.00 H new ATOM 0 HZ1 LYS A 63 -28.340 -12.626 -6.859 1.00 0.00 H new ATOM 0 HZ2 LYS A 63 -27.343 -13.881 -6.298 1.00 0.00 H new ATOM 0 HZ3 LYS A 63 -27.962 -12.737 -5.207 1.00 0.00 H new ATOM 1046 N SER A 64 -21.953 -9.237 -3.422 1.00 0.00 N ATOM 1047 CA SER A 64 -22.205 -7.803 -3.108 1.00 0.00 C ATOM 1048 C SER A 64 -21.093 -6.942 -3.715 1.00 0.00 C ATOM 1049 O SER A 64 -21.076 -5.740 -3.562 1.00 0.00 O ATOM 1050 CB SER A 64 -22.228 -7.618 -1.593 1.00 0.00 C ATOM 1051 OG SER A 64 -23.289 -8.387 -1.043 1.00 0.00 O ATOM 0 H SER A 64 -21.780 -9.833 -2.613 1.00 0.00 H new ATOM 0 HA SER A 64 -23.164 -7.499 -3.528 1.00 0.00 H new ATOM 0 HB2 SER A 64 -21.276 -7.929 -1.162 1.00 0.00 H new ATOM 0 HB3 SER A 64 -22.360 -6.565 -1.345 1.00 0.00 H new ATOM 0 HG SER A 64 -23.048 -9.337 -1.062 1.00 0.00 H new ATOM 1057 N ASN A 65 -20.162 -7.560 -4.395 1.00 0.00 N ATOM 1058 CA ASN A 65 -19.033 -6.803 -5.020 1.00 0.00 C ATOM 1059 C ASN A 65 -18.231 -6.079 -3.939 1.00 0.00 C ATOM 1060 O ASN A 65 -17.709 -5.005 -4.159 1.00 0.00 O ATOM 1061 CB ASN A 65 -19.572 -5.783 -6.031 1.00 0.00 C ATOM 1062 CG ASN A 65 -20.501 -6.491 -7.015 1.00 0.00 C ATOM 1063 OD1 ASN A 65 -20.138 -7.493 -7.594 1.00 0.00 O ATOM 1064 ND2 ASN A 65 -21.696 -6.010 -7.231 1.00 0.00 N ATOM 0 H ASN A 65 -20.135 -8.568 -4.546 1.00 0.00 H new ATOM 0 HA ASN A 65 -18.385 -7.509 -5.540 1.00 0.00 H new ATOM 0 HB2 ASN A 65 -20.109 -4.989 -5.513 1.00 0.00 H new ATOM 0 HB3 ASN A 65 -18.747 -5.313 -6.566 1.00 0.00 H new ATOM 0 HD21 ASN A 65 -22.323 -6.477 -7.886 1.00 0.00 H new ATOM 0 HD22 ASN A 65 -22.002 -5.167 -6.745 1.00 0.00 H new ATOM 1071 N ILE A 66 -18.116 -6.673 -2.774 1.00 0.00 N ATOM 1072 CA ILE A 66 -17.334 -6.039 -1.664 1.00 0.00 C ATOM 1073 C ILE A 66 -16.116 -6.909 -1.366 1.00 0.00 C ATOM 1074 O ILE A 66 -16.223 -8.109 -1.206 1.00 0.00 O ATOM 1075 CB ILE A 66 -18.210 -5.946 -0.413 1.00 0.00 C ATOM 1076 CG1 ILE A 66 -19.521 -5.222 -0.754 1.00 0.00 C ATOM 1077 CG2 ILE A 66 -17.469 -5.177 0.683 1.00 0.00 C ATOM 1078 CD1 ILE A 66 -19.231 -3.877 -1.430 1.00 0.00 C ATOM 0 H ILE A 66 -18.533 -7.575 -2.543 1.00 0.00 H new ATOM 0 HA ILE A 66 -17.016 -5.038 -1.956 1.00 0.00 H new ATOM 0 HB ILE A 66 -18.434 -6.952 -0.057 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -20.126 -5.844 -1.413 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -20.102 -5.062 0.154 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -18.097 -5.114 1.571 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.543 -5.697 0.930 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -17.238 -4.172 0.330 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -20.171 -3.378 -1.665 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -18.645 -3.250 -0.757 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -18.670 -4.045 -2.349 1.00 0.00 H new ATOM 1090 N TYR A 67 -14.953 -6.309 -1.304 1.00 0.00 N ATOM 1091 CA TYR A 67 -13.701 -7.081 -1.031 1.00 0.00 C ATOM 1092 C TYR A 67 -12.983 -6.485 0.188 1.00 0.00 C ATOM 1093 O TYR A 67 -12.115 -5.646 0.048 1.00 0.00 O ATOM 1094 CB TYR A 67 -12.790 -6.980 -2.251 1.00 0.00 C ATOM 1095 CG TYR A 67 -13.560 -7.403 -3.478 1.00 0.00 C ATOM 1096 CD1 TYR A 67 -13.874 -8.753 -3.671 1.00 0.00 C ATOM 1097 CD2 TYR A 67 -13.966 -6.449 -4.419 1.00 0.00 C ATOM 1098 CE1 TYR A 67 -14.591 -9.151 -4.805 1.00 0.00 C ATOM 1099 CE2 TYR A 67 -14.683 -6.847 -5.554 1.00 0.00 C ATOM 1100 CZ TYR A 67 -14.995 -8.199 -5.747 1.00 0.00 C ATOM 1101 OH TYR A 67 -15.701 -8.591 -6.867 1.00 0.00 O ATOM 0 H TYR A 67 -14.816 -5.306 -1.432 1.00 0.00 H new ATOM 0 HA TYR A 67 -13.946 -8.124 -0.829 1.00 0.00 H new ATOM 0 HB2 TYR A 67 -12.429 -5.958 -2.367 1.00 0.00 H new ATOM 0 HB3 TYR A 67 -11.914 -7.615 -2.120 1.00 0.00 H new ATOM 0 HD1 TYR A 67 -13.563 -9.489 -2.944 1.00 0.00 H new ATOM 0 HD2 TYR A 67 -13.726 -5.407 -4.269 1.00 0.00 H new ATOM 0 HE1 TYR A 67 -14.832 -10.193 -4.953 1.00 0.00 H new ATOM 0 HE2 TYR A 67 -14.995 -6.112 -6.281 1.00 0.00 H new ATOM 0 HH TYR A 67 -15.904 -7.806 -7.417 1.00 0.00 H new ATOM 1111 N PRO A 68 -13.345 -6.906 1.377 1.00 0.00 N ATOM 1112 CA PRO A 68 -12.724 -6.397 2.629 1.00 0.00 C ATOM 1113 C PRO A 68 -11.389 -7.081 2.933 1.00 0.00 C ATOM 1114 O PRO A 68 -11.220 -8.262 2.707 1.00 0.00 O ATOM 1115 CB PRO A 68 -13.779 -6.709 3.697 1.00 0.00 C ATOM 1116 CG PRO A 68 -14.485 -7.934 3.199 1.00 0.00 C ATOM 1117 CD PRO A 68 -14.380 -7.917 1.663 1.00 0.00 C ATOM 0 HA PRO A 68 -12.475 -5.337 2.572 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -13.317 -6.887 4.668 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -14.472 -5.877 3.822 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -14.029 -8.836 3.607 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -15.528 -7.934 3.515 1.00 0.00 H new ATOM 0 HD2 PRO A 68 -14.098 -8.895 1.273 1.00 0.00 H new ATOM 0 HD3 PRO A 68 -15.332 -7.652 1.203 1.00 0.00 H new ATOM 1125 N PHE A 69 -10.440 -6.346 3.446 1.00 0.00 N ATOM 1126 CA PHE A 69 -9.116 -6.951 3.767 1.00 0.00 C ATOM 1127 C PHE A 69 -8.483 -6.203 4.938 1.00 0.00 C ATOM 1128 O PHE A 69 -8.828 -5.064 5.230 1.00 0.00 O ATOM 1129 CB PHE A 69 -8.198 -6.879 2.542 1.00 0.00 C ATOM 1130 CG PHE A 69 -7.925 -5.440 2.175 1.00 0.00 C ATOM 1131 CD1 PHE A 69 -8.773 -4.774 1.285 1.00 0.00 C ATOM 1132 CD2 PHE A 69 -6.815 -4.777 2.715 1.00 0.00 C ATOM 1133 CE1 PHE A 69 -8.516 -3.443 0.934 1.00 0.00 C ATOM 1134 CE2 PHE A 69 -6.556 -3.447 2.363 1.00 0.00 C ATOM 1135 CZ PHE A 69 -7.407 -2.780 1.473 1.00 0.00 C ATOM 0 H PHE A 69 -10.525 -5.352 3.657 1.00 0.00 H new ATOM 0 HA PHE A 69 -9.255 -7.997 4.042 1.00 0.00 H new ATOM 0 HB2 PHE A 69 -7.260 -7.392 2.752 1.00 0.00 H new ATOM 0 HB3 PHE A 69 -8.662 -7.394 1.701 1.00 0.00 H new ATOM 0 HD1 PHE A 69 -9.627 -5.287 0.868 1.00 0.00 H new ATOM 0 HD2 PHE A 69 -6.160 -5.292 3.402 1.00 0.00 H new ATOM 0 HE1 PHE A 69 -9.173 -2.928 0.248 1.00 0.00 H new ATOM 0 HE2 PHE A 69 -5.700 -2.935 2.778 1.00 0.00 H new ATOM 0 HZ PHE A 69 -7.208 -1.754 1.202 1.00 0.00 H new ATOM 1145 N ILE A 70 -7.563 -6.849 5.617 1.00 0.00 N ATOM 1146 CA ILE A 70 -6.889 -6.216 6.791 1.00 0.00 C ATOM 1147 C ILE A 70 -5.376 -6.343 6.641 1.00 0.00 C ATOM 1148 O ILE A 70 -4.871 -7.308 6.096 1.00 0.00 O ATOM 1149 CB ILE A 70 -7.325 -6.926 8.071 1.00 0.00 C ATOM 1150 CG1 ILE A 70 -8.838 -6.763 8.244 1.00 0.00 C ATOM 1151 CG2 ILE A 70 -6.596 -6.304 9.267 1.00 0.00 C ATOM 1152 CD1 ILE A 70 -9.334 -7.668 9.377 1.00 0.00 C ATOM 0 H ILE A 70 -7.250 -7.796 5.404 1.00 0.00 H new ATOM 0 HA ILE A 70 -7.166 -5.163 6.841 1.00 0.00 H new ATOM 0 HB ILE A 70 -7.079 -7.986 8.011 1.00 0.00 H new ATOM 0 HG12 ILE A 70 -9.077 -5.723 8.466 1.00 0.00 H new ATOM 0 HG13 ILE A 70 -9.348 -7.016 7.315 1.00 0.00 H new ATOM 0 HG21 ILE A 70 -6.904 -6.808 10.183 1.00 0.00 H new ATOM 0 HG22 ILE A 70 -5.520 -6.416 9.136 1.00 0.00 H new ATOM 0 HG23 ILE A 70 -6.845 -5.245 9.334 1.00 0.00 H new ATOM 0 HD11 ILE A 70 -10.411 -7.547 9.494 1.00 0.00 H new ATOM 0 HD12 ILE A 70 -9.110 -8.707 9.137 1.00 0.00 H new ATOM 0 HD13 ILE A 70 -8.835 -7.394 10.306 1.00 0.00 H new ATOM 1164 N LEU A 71 -4.650 -5.366 7.122 1.00 0.00 N ATOM 1165 CA LEU A 71 -3.159 -5.395 7.023 1.00 0.00 C ATOM 1166 C LEU A 71 -2.570 -5.664 8.403 1.00 0.00 C ATOM 1167 O LEU A 71 -3.003 -5.108 9.392 1.00 0.00 O ATOM 1168 CB LEU A 71 -2.678 -4.036 6.512 1.00 0.00 C ATOM 1169 CG LEU A 71 -3.409 -3.696 5.207 1.00 0.00 C ATOM 1170 CD1 LEU A 71 -2.867 -2.378 4.641 1.00 0.00 C ATOM 1171 CD2 LEU A 71 -3.209 -4.824 4.184 1.00 0.00 C ATOM 0 H LEU A 71 -5.031 -4.540 7.584 1.00 0.00 H new ATOM 0 HA LEU A 71 -2.840 -6.181 6.338 1.00 0.00 H new ATOM 0 HB2 LEU A 71 -2.868 -3.266 7.260 1.00 0.00 H new ATOM 0 HB3 LEU A 71 -1.601 -4.058 6.344 1.00 0.00 H new ATOM 0 HG LEU A 71 -4.474 -3.589 5.412 1.00 0.00 H new ATOM 0 HD11 LEU A 71 -3.388 -2.139 3.714 1.00 0.00 H new ATOM 0 HD12 LEU A 71 -3.027 -1.578 5.364 1.00 0.00 H new ATOM 0 HD13 LEU A 71 -1.800 -2.479 4.442 1.00 0.00 H new ATOM 0 HD21 LEU A 71 -3.731 -4.574 3.260 1.00 0.00 H new ATOM 0 HD22 LEU A 71 -2.145 -4.944 3.978 1.00 0.00 H new ATOM 0 HD23 LEU A 71 -3.608 -5.755 4.586 1.00 0.00 H new ATOM 1183 N TYR A 72 -1.587 -6.530 8.475 1.00 0.00 N ATOM 1184 CA TYR A 72 -0.957 -6.868 9.788 1.00 0.00 C ATOM 1185 C TYR A 72 0.548 -6.626 9.733 1.00 0.00 C ATOM 1186 O TYR A 72 1.212 -6.954 8.767 1.00 0.00 O ATOM 1187 CB TYR A 72 -1.211 -8.343 10.101 1.00 0.00 C ATOM 1188 CG TYR A 72 -2.673 -8.551 10.401 1.00 0.00 C ATOM 1189 CD1 TYR A 72 -3.163 -8.302 11.688 1.00 0.00 C ATOM 1190 CD2 TYR A 72 -3.536 -9.001 9.396 1.00 0.00 C ATOM 1191 CE1 TYR A 72 -4.519 -8.502 11.970 1.00 0.00 C ATOM 1192 CE2 TYR A 72 -4.891 -9.203 9.678 1.00 0.00 C ATOM 1193 CZ TYR A 72 -5.383 -8.954 10.965 1.00 0.00 C ATOM 1194 OH TYR A 72 -6.718 -9.157 11.242 1.00 0.00 O ATOM 0 H TYR A 72 -1.192 -7.020 7.673 1.00 0.00 H new ATOM 0 HA TYR A 72 -1.392 -6.236 10.562 1.00 0.00 H new ATOM 0 HB2 TYR A 72 -0.911 -8.962 9.255 1.00 0.00 H new ATOM 0 HB3 TYR A 72 -0.607 -8.654 10.953 1.00 0.00 H new ATOM 0 HD1 TYR A 72 -2.495 -7.956 12.463 1.00 0.00 H new ATOM 0 HD2 TYR A 72 -3.156 -9.192 8.403 1.00 0.00 H new ATOM 0 HE1 TYR A 72 -4.899 -8.308 12.962 1.00 0.00 H new ATOM 0 HE2 TYR A 72 -5.558 -9.551 8.903 1.00 0.00 H new ATOM 0 HH TYR A 72 -7.176 -9.470 10.434 1.00 0.00 H new ATOM 1204 N TYR A 73 1.090 -6.072 10.785 1.00 0.00 N ATOM 1205 CA TYR A 73 2.555 -5.821 10.836 1.00 0.00 C ATOM 1206 C TYR A 73 3.019 -5.888 12.294 1.00 0.00 C ATOM 1207 O TYR A 73 2.602 -5.105 13.124 1.00 0.00 O ATOM 1208 CB TYR A 73 2.874 -4.444 10.255 1.00 0.00 C ATOM 1209 CG TYR A 73 4.369 -4.229 10.294 1.00 0.00 C ATOM 1210 CD1 TYR A 73 5.193 -4.907 9.389 1.00 0.00 C ATOM 1211 CD2 TYR A 73 4.933 -3.365 11.242 1.00 0.00 C ATOM 1212 CE1 TYR A 73 6.580 -4.721 9.428 1.00 0.00 C ATOM 1213 CE2 TYR A 73 6.320 -3.180 11.281 1.00 0.00 C ATOM 1214 CZ TYR A 73 7.144 -3.858 10.374 1.00 0.00 C ATOM 1215 OH TYR A 73 8.511 -3.676 10.414 1.00 0.00 O ATOM 0 H TYR A 73 0.574 -5.781 11.616 1.00 0.00 H new ATOM 0 HA TYR A 73 3.074 -6.576 10.246 1.00 0.00 H new ATOM 0 HB2 TYR A 73 2.510 -4.374 9.230 1.00 0.00 H new ATOM 0 HB3 TYR A 73 2.367 -3.667 10.827 1.00 0.00 H new ATOM 0 HD1 TYR A 73 4.759 -5.575 8.660 1.00 0.00 H new ATOM 0 HD2 TYR A 73 4.298 -2.842 11.942 1.00 0.00 H new ATOM 0 HE1 TYR A 73 7.215 -5.244 8.728 1.00 0.00 H new ATOM 0 HE2 TYR A 73 6.755 -2.514 12.011 1.00 0.00 H new ATOM 0 HH TYR A 73 8.736 -3.044 11.129 1.00 0.00 H new ATOM 1225 N GLN A 74 3.871 -6.827 12.602 1.00 0.00 N ATOM 1226 CA GLN A 74 4.380 -6.980 13.998 1.00 0.00 C ATOM 1227 C GLN A 74 3.213 -7.182 14.970 1.00 0.00 C ATOM 1228 O GLN A 74 2.965 -6.373 15.839 1.00 0.00 O ATOM 1229 CB GLN A 74 5.204 -5.749 14.394 1.00 0.00 C ATOM 1230 CG GLN A 74 6.470 -5.713 13.538 1.00 0.00 C ATOM 1231 CD GLN A 74 7.300 -4.476 13.885 1.00 0.00 C ATOM 1232 OE1 GLN A 74 6.759 -3.433 14.184 1.00 0.00 O ATOM 1233 NE2 GLN A 74 8.603 -4.552 13.856 1.00 0.00 N ATOM 0 H GLN A 74 4.242 -7.505 11.937 1.00 0.00 H new ATOM 0 HA GLN A 74 5.022 -7.859 14.046 1.00 0.00 H new ATOM 0 HB2 GLN A 74 4.621 -4.840 14.246 1.00 0.00 H new ATOM 0 HB3 GLN A 74 5.464 -5.792 15.452 1.00 0.00 H new ATOM 0 HG2 GLN A 74 7.058 -6.615 13.706 1.00 0.00 H new ATOM 0 HG3 GLN A 74 6.204 -5.698 12.481 1.00 0.00 H new ATOM 0 HE21 GLN A 74 9.057 -5.430 13.604 1.00 0.00 H new ATOM 0 HE22 GLN A 74 9.167 -3.733 14.085 1.00 0.00 H new ATOM 1242 N LYS A 75 2.504 -8.277 14.822 1.00 0.00 N ATOM 1243 CA LYS A 75 1.348 -8.582 15.721 1.00 0.00 C ATOM 1244 C LYS A 75 0.551 -7.309 16.010 1.00 0.00 C ATOM 1245 O LYS A 75 0.128 -7.064 17.121 1.00 0.00 O ATOM 1246 CB LYS A 75 1.860 -9.197 17.027 1.00 0.00 C ATOM 1247 CG LYS A 75 2.442 -10.581 16.730 1.00 0.00 C ATOM 1248 CD LYS A 75 2.914 -11.236 18.034 1.00 0.00 C ATOM 1249 CE LYS A 75 4.060 -10.421 18.660 1.00 0.00 C ATOM 1250 NZ LYS A 75 3.492 -9.470 19.656 1.00 0.00 N ATOM 0 H LYS A 75 2.681 -8.981 14.106 1.00 0.00 H new ATOM 0 HA LYS A 75 0.689 -9.295 15.226 1.00 0.00 H new ATOM 0 HB2 LYS A 75 2.621 -8.556 17.472 1.00 0.00 H new ATOM 0 HB3 LYS A 75 1.048 -9.277 17.750 1.00 0.00 H new ATOM 0 HG2 LYS A 75 1.690 -11.207 16.249 1.00 0.00 H new ATOM 0 HG3 LYS A 75 3.276 -10.493 16.034 1.00 0.00 H new ATOM 0 HD2 LYS A 75 2.083 -11.305 18.736 1.00 0.00 H new ATOM 0 HD3 LYS A 75 3.249 -12.254 17.836 1.00 0.00 H new ATOM 0 HE2 LYS A 75 4.776 -11.087 19.141 1.00 0.00 H new ATOM 0 HE3 LYS A 75 4.601 -9.877 17.886 1.00 0.00 H new ATOM 0 HZ1 LYS A 75 3.796 -8.503 19.425 1.00 0.00 H new ATOM 0 HZ2 LYS A 75 2.454 -9.521 19.632 1.00 0.00 H new ATOM 0 HZ3 LYS A 75 3.829 -9.721 20.607 1.00 0.00 H new ATOM 1264 N GLN A 76 0.339 -6.501 15.008 1.00 0.00 N ATOM 1265 CA GLN A 76 -0.437 -5.248 15.209 1.00 0.00 C ATOM 1266 C GLN A 76 -0.983 -4.767 13.865 1.00 0.00 C ATOM 1267 O GLN A 76 -0.254 -4.587 12.911 1.00 0.00 O ATOM 1268 CB GLN A 76 0.460 -4.172 15.822 1.00 0.00 C ATOM 1269 CG GLN A 76 -0.351 -2.888 16.003 1.00 0.00 C ATOM 1270 CD GLN A 76 0.465 -1.874 16.804 1.00 0.00 C ATOM 1271 OE1 GLN A 76 1.423 -2.230 17.459 1.00 0.00 O ATOM 1272 NE2 GLN A 76 0.121 -0.616 16.779 1.00 0.00 N ATOM 0 H GLN A 76 0.671 -6.656 14.056 1.00 0.00 H new ATOM 0 HA GLN A 76 -1.268 -5.443 15.888 1.00 0.00 H new ATOM 0 HB2 GLN A 76 0.849 -4.509 16.783 1.00 0.00 H new ATOM 0 HB3 GLN A 76 1.319 -3.986 15.177 1.00 0.00 H new ATOM 0 HG2 GLN A 76 -0.613 -2.472 15.030 1.00 0.00 H new ATOM 0 HG3 GLN A 76 -1.286 -3.106 16.519 1.00 0.00 H new ATOM 0 HE21 GLN A 76 -0.684 -0.318 16.228 1.00 0.00 H new ATOM 0 HE22 GLN A 76 0.657 0.070 17.310 1.00 0.00 H new ATOM 1281 N LEU A 77 -2.269 -4.572 13.787 1.00 0.00 N ATOM 1282 CA LEU A 77 -2.889 -4.120 12.514 1.00 0.00 C ATOM 1283 C LEU A 77 -2.291 -2.786 12.066 1.00 0.00 C ATOM 1284 O LEU A 77 -1.669 -2.085 12.838 1.00 0.00 O ATOM 1285 CB LEU A 77 -4.406 -3.984 12.698 1.00 0.00 C ATOM 1286 CG LEU A 77 -4.773 -2.764 13.587 1.00 0.00 C ATOM 1287 CD1 LEU A 77 -6.178 -2.283 13.228 1.00 0.00 C ATOM 1288 CD2 LEU A 77 -4.730 -3.157 15.071 1.00 0.00 C ATOM 0 H LEU A 77 -2.922 -4.708 14.559 1.00 0.00 H new ATOM 0 HA LEU A 77 -2.685 -4.862 11.742 1.00 0.00 H new ATOM 0 HB2 LEU A 77 -4.882 -3.880 11.723 1.00 0.00 H new ATOM 0 HB3 LEU A 77 -4.800 -4.894 13.150 1.00 0.00 H new ATOM 0 HG LEU A 77 -4.052 -1.965 13.412 1.00 0.00 H new ATOM 0 HD11 LEU A 77 -6.439 -1.427 13.850 1.00 0.00 H new ATOM 0 HD12 LEU A 77 -6.205 -1.991 12.178 1.00 0.00 H new ATOM 0 HD13 LEU A 77 -6.893 -3.088 13.400 1.00 0.00 H new ATOM 0 HD21 LEU A 77 -4.989 -2.294 15.684 1.00 0.00 H new ATOM 0 HD22 LEU A 77 -5.444 -3.960 15.256 1.00 0.00 H new ATOM 0 HD23 LEU A 77 -3.727 -3.497 15.328 1.00 0.00 H new ATOM 1300 N ILE A 78 -2.508 -2.425 10.827 1.00 0.00 N ATOM 1301 CA ILE A 78 -1.985 -1.125 10.302 1.00 0.00 C ATOM 1302 C ILE A 78 -3.129 -0.352 9.647 1.00 0.00 C ATOM 1303 O ILE A 78 -3.244 0.846 9.802 1.00 0.00 O ATOM 1304 CB ILE A 78 -0.899 -1.404 9.263 1.00 0.00 C ATOM 1305 CG1 ILE A 78 0.294 -2.109 9.934 1.00 0.00 C ATOM 1306 CG2 ILE A 78 -0.443 -0.094 8.614 1.00 0.00 C ATOM 1307 CD1 ILE A 78 0.898 -1.244 11.059 1.00 0.00 C ATOM 0 H ILE A 78 -3.030 -2.980 10.149 1.00 0.00 H new ATOM 0 HA ILE A 78 -1.567 -0.537 11.119 1.00 0.00 H new ATOM 0 HB ILE A 78 -1.305 -2.054 8.488 1.00 0.00 H new ATOM 0 HG12 ILE A 78 -0.030 -3.066 10.343 1.00 0.00 H new ATOM 0 HG13 ILE A 78 1.059 -2.324 9.187 1.00 0.00 H new ATOM 0 HG21 ILE A 78 0.331 -0.304 7.875 1.00 0.00 H new ATOM 0 HG22 ILE A 78 -1.291 0.384 8.125 1.00 0.00 H new ATOM 0 HG23 ILE A 78 -0.043 0.571 9.379 1.00 0.00 H new ATOM 0 HD11 ILE A 78 1.738 -1.771 11.512 1.00 0.00 H new ATOM 0 HD12 ILE A 78 1.244 -0.297 10.644 1.00 0.00 H new ATOM 0 HD13 ILE A 78 0.139 -1.052 11.817 1.00 0.00 H new ATOM 1319 N ALA A 79 -3.981 -1.018 8.919 1.00 0.00 N ATOM 1320 CA ALA A 79 -5.108 -0.295 8.270 1.00 0.00 C ATOM 1321 C ALA A 79 -6.201 -1.283 7.866 1.00 0.00 C ATOM 1322 O ALA A 79 -5.943 -2.447 7.634 1.00 0.00 O ATOM 1323 CB ALA A 79 -4.599 0.430 7.024 1.00 0.00 C ATOM 0 H ALA A 79 -3.946 -2.023 8.747 1.00 0.00 H new ATOM 0 HA ALA A 79 -5.519 0.427 8.975 1.00 0.00 H new ATOM 0 HB1 ALA A 79 -5.425 0.960 6.549 1.00 0.00 H new ATOM 0 HB2 ALA A 79 -3.826 1.144 7.309 1.00 0.00 H new ATOM 0 HB3 ALA A 79 -4.183 -0.296 6.325 1.00 0.00 H new ATOM 1329 N ILE A 80 -7.422 -0.818 7.774 1.00 0.00 N ATOM 1330 CA ILE A 80 -8.553 -1.713 7.373 1.00 0.00 C ATOM 1331 C ILE A 80 -9.379 -1.020 6.291 1.00 0.00 C ATOM 1332 O ILE A 80 -9.607 0.172 6.347 1.00 0.00 O ATOM 1333 CB ILE A 80 -9.437 -1.990 8.586 1.00 0.00 C ATOM 1334 CG1 ILE A 80 -8.607 -2.706 9.655 1.00 0.00 C ATOM 1335 CG2 ILE A 80 -10.604 -2.880 8.158 1.00 0.00 C ATOM 1336 CD1 ILE A 80 -9.415 -2.823 10.948 1.00 0.00 C ATOM 0 H ILE A 80 -7.686 0.149 7.961 1.00 0.00 H new ATOM 0 HA ILE A 80 -8.159 -2.654 6.990 1.00 0.00 H new ATOM 0 HB ILE A 80 -9.823 -1.055 8.992 1.00 0.00 H new ATOM 0 HG12 ILE A 80 -8.322 -3.697 9.303 1.00 0.00 H new ATOM 0 HG13 ILE A 80 -7.684 -2.156 9.841 1.00 0.00 H new ATOM 0 HG21 ILE A 80 -11.241 -3.083 9.019 1.00 0.00 H new ATOM 0 HG22 ILE A 80 -11.185 -2.373 7.388 1.00 0.00 H new ATOM 0 HG23 ILE A 80 -10.219 -3.820 7.762 1.00 0.00 H new ATOM 0 HD11 ILE A 80 -8.819 -3.333 11.705 1.00 0.00 H new ATOM 0 HD12 ILE A 80 -9.678 -1.827 11.304 1.00 0.00 H new ATOM 0 HD13 ILE A 80 -10.325 -3.392 10.758 1.00 0.00 H new ATOM 1348 N GLY A 81 -9.829 -1.744 5.299 1.00 0.00 N ATOM 1349 CA GLY A 81 -10.634 -1.083 4.231 1.00 0.00 C ATOM 1350 C GLY A 81 -11.254 -2.133 3.311 1.00 0.00 C ATOM 1351 O GLY A 81 -11.042 -3.318 3.473 1.00 0.00 O ATOM 0 H GLY A 81 -9.677 -2.746 5.183 1.00 0.00 H new ATOM 0 HA2 GLY A 81 -11.418 -0.475 4.681 1.00 0.00 H new ATOM 0 HA3 GLY A 81 -10.001 -0.410 3.652 1.00 0.00 H new ATOM 1355 N PHE A 82 -12.016 -1.702 2.336 1.00 0.00 N ATOM 1356 CA PHE A 82 -12.652 -2.668 1.387 1.00 0.00 C ATOM 1357 C PHE A 82 -12.789 -2.009 0.021 1.00 0.00 C ATOM 1358 O PHE A 82 -12.763 -0.800 -0.094 1.00 0.00 O ATOM 1359 CB PHE A 82 -14.036 -3.088 1.905 1.00 0.00 C ATOM 1360 CG PHE A 82 -14.964 -1.897 1.958 1.00 0.00 C ATOM 1361 CD1 PHE A 82 -14.997 -1.095 3.105 1.00 0.00 C ATOM 1362 CD2 PHE A 82 -15.802 -1.603 0.875 1.00 0.00 C ATOM 1363 CE1 PHE A 82 -15.864 0.001 3.169 1.00 0.00 C ATOM 1364 CE2 PHE A 82 -16.672 -0.507 0.940 1.00 0.00 C ATOM 1365 CZ PHE A 82 -16.703 0.295 2.088 1.00 0.00 C ATOM 0 H PHE A 82 -12.225 -0.720 2.156 1.00 0.00 H new ATOM 0 HA PHE A 82 -12.027 -3.557 1.305 1.00 0.00 H new ATOM 0 HB2 PHE A 82 -14.457 -3.856 1.255 1.00 0.00 H new ATOM 0 HB3 PHE A 82 -13.941 -3.527 2.898 1.00 0.00 H new ATOM 0 HD1 PHE A 82 -14.353 -1.323 3.941 1.00 0.00 H new ATOM 0 HD2 PHE A 82 -15.777 -2.221 -0.010 1.00 0.00 H new ATOM 0 HE1 PHE A 82 -15.886 0.621 4.053 1.00 0.00 H new ATOM 0 HE2 PHE A 82 -17.319 -0.280 0.105 1.00 0.00 H new ATOM 0 HZ PHE A 82 -17.374 1.140 2.139 1.00 0.00 H new ATOM 1375 N ILE A 83 -12.922 -2.795 -1.021 1.00 0.00 N ATOM 1376 CA ILE A 83 -13.053 -2.222 -2.400 1.00 0.00 C ATOM 1377 C ILE A 83 -14.427 -2.569 -2.970 1.00 0.00 C ATOM 1378 O ILE A 83 -14.837 -3.713 -2.973 1.00 0.00 O ATOM 1379 CB ILE A 83 -11.965 -2.806 -3.294 1.00 0.00 C ATOM 1380 CG1 ILE A 83 -10.598 -2.380 -2.758 1.00 0.00 C ATOM 1381 CG2 ILE A 83 -12.147 -2.281 -4.713 1.00 0.00 C ATOM 1382 CD1 ILE A 83 -9.493 -3.137 -3.495 1.00 0.00 C ATOM 0 H ILE A 83 -12.946 -3.814 -0.976 1.00 0.00 H new ATOM 0 HA ILE A 83 -12.945 -1.138 -2.357 1.00 0.00 H new ATOM 0 HB ILE A 83 -12.031 -3.894 -3.300 1.00 0.00 H new ATOM 0 HG12 ILE A 83 -10.465 -1.306 -2.888 1.00 0.00 H new ATOM 0 HG13 ILE A 83 -10.538 -2.581 -1.688 1.00 0.00 H new ATOM 0 HG21 ILE A 83 -11.371 -2.696 -5.357 1.00 0.00 H new ATOM 0 HG22 ILE A 83 -13.127 -2.578 -5.088 1.00 0.00 H new ATOM 0 HG23 ILE A 83 -12.074 -1.193 -4.711 1.00 0.00 H new ATOM 0 HD11 ILE A 83 -8.521 -2.829 -3.109 1.00 0.00 H new ATOM 0 HD12 ILE A 83 -9.622 -4.209 -3.342 1.00 0.00 H new ATOM 0 HD13 ILE A 83 -9.547 -2.914 -4.560 1.00 0.00 H new ATOM 1394 N ASP A 84 -15.142 -1.580 -3.447 1.00 0.00 N ATOM 1395 CA ASP A 84 -16.506 -1.819 -4.017 1.00 0.00 C ATOM 1396 C ASP A 84 -16.493 -1.575 -5.533 1.00 0.00 C ATOM 1397 O ASP A 84 -15.455 -1.398 -6.142 1.00 0.00 O ATOM 1398 CB ASP A 84 -17.486 -0.848 -3.357 1.00 0.00 C ATOM 1399 CG ASP A 84 -18.920 -1.246 -3.711 1.00 0.00 C ATOM 1400 OD1 ASP A 84 -19.114 -2.375 -4.128 1.00 0.00 O ATOM 1401 OD2 ASP A 84 -19.797 -0.413 -3.560 1.00 0.00 O ATOM 0 H ASP A 84 -14.836 -0.607 -3.466 1.00 0.00 H new ATOM 0 HA ASP A 84 -16.807 -2.849 -3.828 1.00 0.00 H new ATOM 0 HB2 ASP A 84 -17.351 -0.859 -2.275 1.00 0.00 H new ATOM 0 HB3 ASP A 84 -17.287 0.170 -3.693 1.00 0.00 H new ATOM 1406 N GLU A 85 -17.648 -1.577 -6.140 1.00 0.00 N ATOM 1407 CA GLU A 85 -17.738 -1.363 -7.606 1.00 0.00 C ATOM 1408 C GLU A 85 -16.841 -0.208 -8.039 1.00 0.00 C ATOM 1409 O GLU A 85 -16.509 0.669 -7.266 1.00 0.00 O ATOM 1410 CB GLU A 85 -19.190 -1.066 -7.981 1.00 0.00 C ATOM 1411 CG GLU A 85 -19.656 0.223 -7.299 1.00 0.00 C ATOM 1412 CD GLU A 85 -21.138 0.447 -7.607 1.00 0.00 C ATOM 1413 OE1 GLU A 85 -21.562 0.067 -8.685 1.00 0.00 O ATOM 1414 OE2 GLU A 85 -21.824 0.993 -6.758 1.00 0.00 O ATOM 0 H GLU A 85 -18.543 -1.720 -5.673 1.00 0.00 H new ATOM 0 HA GLU A 85 -17.402 -2.265 -8.118 1.00 0.00 H new ATOM 0 HB2 GLU A 85 -19.282 -0.968 -9.063 1.00 0.00 H new ATOM 0 HB3 GLU A 85 -19.829 -1.897 -7.681 1.00 0.00 H new ATOM 0 HG2 GLU A 85 -19.502 0.155 -6.222 1.00 0.00 H new ATOM 0 HG3 GLU A 85 -19.067 1.069 -7.652 1.00 0.00 H new ATOM 1421 N ASN A 86 -16.440 -0.229 -9.277 1.00 0.00 N ATOM 1422 CA ASN A 86 -15.543 0.833 -9.815 1.00 0.00 C ATOM 1423 C ASN A 86 -14.186 0.703 -9.123 1.00 0.00 C ATOM 1424 O ASN A 86 -13.339 1.569 -9.209 1.00 0.00 O ATOM 1425 CB ASN A 86 -16.153 2.222 -9.562 1.00 0.00 C ATOM 1426 CG ASN A 86 -15.513 3.246 -10.504 1.00 0.00 C ATOM 1427 OD1 ASN A 86 -14.410 3.693 -10.271 1.00 0.00 O ATOM 1428 ND2 ASN A 86 -16.165 3.637 -11.565 1.00 0.00 N ATOM 0 H ASN A 86 -16.699 -0.949 -9.952 1.00 0.00 H new ATOM 0 HA ASN A 86 -15.421 0.717 -10.892 1.00 0.00 H new ATOM 0 HB2 ASN A 86 -17.231 2.191 -9.721 1.00 0.00 H new ATOM 0 HB3 ASN A 86 -15.992 2.517 -8.525 1.00 0.00 H new ATOM 0 HD21 ASN A 86 -15.747 4.319 -12.198 1.00 0.00 H new ATOM 0 HD22 ASN A 86 -17.093 3.261 -11.761 1.00 0.00 H new ATOM 1435 N HIS A 87 -13.981 -0.395 -8.443 1.00 0.00 N ATOM 1436 CA HIS A 87 -12.691 -0.630 -7.735 1.00 0.00 C ATOM 1437 C HIS A 87 -12.349 0.586 -6.871 1.00 0.00 C ATOM 1438 O HIS A 87 -11.231 1.057 -6.851 1.00 0.00 O ATOM 1439 CB HIS A 87 -11.580 -0.887 -8.762 1.00 0.00 C ATOM 1440 CG HIS A 87 -10.287 -1.189 -8.049 1.00 0.00 C ATOM 1441 ND1 HIS A 87 -9.184 -0.416 -7.784 1.00 0.00 N flip ATOM 1442 CD2 HIS A 87 -10.012 -2.438 -7.510 1.00 0.00 C flip ATOM 1443 CE1 HIS A 87 -8.237 -1.169 -7.094 1.00 0.00 C flip ATOM 1444 NE2 HIS A 87 -8.786 -2.379 -6.955 1.00 0.00 N flip ATOM 0 H HIS A 87 -14.663 -1.148 -8.348 1.00 0.00 H new ATOM 0 HA HIS A 87 -12.782 -1.504 -7.090 1.00 0.00 H new ATOM 0 HB2 HIS A 87 -11.854 -1.722 -9.407 1.00 0.00 H new ATOM 0 HB3 HIS A 87 -11.457 -0.015 -9.404 1.00 0.00 H new ATOM 0 HD2 HIS A 87 -10.662 -3.300 -7.532 1.00 0.00 H new ATOM 0 HE1 HIS A 87 -7.267 -0.845 -6.746 1.00 0.00 H new ATOM 0 HE2 HIS A 87 -8.332 -3.163 -6.486 1.00 0.00 H new ATOM 1452 N ASP A 88 -13.316 1.091 -6.150 1.00 0.00 N ATOM 1453 CA ASP A 88 -13.073 2.274 -5.274 1.00 0.00 C ATOM 1454 C ASP A 88 -12.504 1.816 -3.930 1.00 0.00 C ATOM 1455 O ASP A 88 -13.098 1.024 -3.228 1.00 0.00 O ATOM 1456 CB ASP A 88 -14.394 3.013 -5.051 1.00 0.00 C ATOM 1457 CG ASP A 88 -14.772 3.780 -6.321 1.00 0.00 C ATOM 1458 OD1 ASP A 88 -13.912 3.941 -7.171 1.00 0.00 O ATOM 1459 OD2 ASP A 88 -15.914 4.192 -6.421 1.00 0.00 O ATOM 0 H ASP A 88 -14.270 0.731 -6.131 1.00 0.00 H new ATOM 0 HA ASP A 88 -12.356 2.941 -5.753 1.00 0.00 H new ATOM 0 HB2 ASP A 88 -15.181 2.304 -4.794 1.00 0.00 H new ATOM 0 HB3 ASP A 88 -14.300 3.702 -4.212 1.00 0.00 H new ATOM 1464 N MET A 89 -11.351 2.312 -3.571 1.00 0.00 N ATOM 1465 CA MET A 89 -10.731 1.908 -2.280 1.00 0.00 C ATOM 1466 C MET A 89 -11.345 2.726 -1.139 1.00 0.00 C ATOM 1467 O MET A 89 -11.250 3.936 -1.110 1.00 0.00 O ATOM 1468 CB MET A 89 -9.228 2.184 -2.354 1.00 0.00 C ATOM 1469 CG MET A 89 -8.517 1.517 -1.176 1.00 0.00 C ATOM 1470 SD MET A 89 -8.495 -0.280 -1.412 1.00 0.00 S ATOM 1471 CE MET A 89 -7.396 -0.331 -2.851 1.00 0.00 C ATOM 0 H MET A 89 -10.811 2.982 -4.119 1.00 0.00 H new ATOM 0 HA MET A 89 -10.908 0.848 -2.096 1.00 0.00 H new ATOM 0 HB2 MET A 89 -8.826 1.806 -3.294 1.00 0.00 H new ATOM 0 HB3 MET A 89 -9.046 3.259 -2.339 1.00 0.00 H new ATOM 0 HG2 MET A 89 -7.498 1.895 -1.093 1.00 0.00 H new ATOM 0 HG3 MET A 89 -9.026 1.765 -0.244 1.00 0.00 H new ATOM 0 HE1 MET A 89 -6.782 -1.231 -2.808 1.00 0.00 H new ATOM 0 HE2 MET A 89 -7.992 -0.341 -3.764 1.00 0.00 H new ATOM 0 HE3 MET A 89 -6.752 0.548 -2.848 1.00 0.00 H new ATOM 1481 N ASP A 90 -11.981 2.065 -0.203 1.00 0.00 N ATOM 1482 CA ASP A 90 -12.619 2.779 0.948 1.00 0.00 C ATOM 1483 C ASP A 90 -11.796 2.553 2.217 1.00 0.00 C ATOM 1484 O ASP A 90 -11.309 1.467 2.464 1.00 0.00 O ATOM 1485 CB ASP A 90 -14.028 2.225 1.149 1.00 0.00 C ATOM 1486 CG ASP A 90 -14.914 2.670 -0.016 1.00 0.00 C ATOM 1487 OD1 ASP A 90 -14.517 3.584 -0.718 1.00 0.00 O ATOM 1488 OD2 ASP A 90 -15.974 2.089 -0.184 1.00 0.00 O ATOM 0 H ASP A 90 -12.087 1.051 -0.187 1.00 0.00 H new ATOM 0 HA ASP A 90 -12.664 3.848 0.739 1.00 0.00 H new ATOM 0 HB2 ASP A 90 -13.999 1.137 1.205 1.00 0.00 H new ATOM 0 HB3 ASP A 90 -14.441 2.582 2.093 1.00 0.00 H new ATOM 1493 N PHE A 91 -11.636 3.575 3.021 1.00 0.00 N ATOM 1494 CA PHE A 91 -10.839 3.438 4.278 1.00 0.00 C ATOM 1495 C PHE A 91 -11.773 3.303 5.476 1.00 0.00 C ATOM 1496 O PHE A 91 -12.637 4.125 5.704 1.00 0.00 O ATOM 1497 CB PHE A 91 -9.967 4.684 4.459 1.00 0.00 C ATOM 1498 CG PHE A 91 -8.792 4.604 3.521 1.00 0.00 C ATOM 1499 CD1 PHE A 91 -8.904 5.090 2.216 1.00 0.00 C ATOM 1500 CD2 PHE A 91 -7.596 4.026 3.956 1.00 0.00 C ATOM 1501 CE1 PHE A 91 -7.815 5.002 1.343 1.00 0.00 C ATOM 1502 CE2 PHE A 91 -6.507 3.936 3.085 1.00 0.00 C ATOM 1503 CZ PHE A 91 -6.616 4.423 1.777 1.00 0.00 C ATOM 0 H PHE A 91 -12.026 4.504 2.859 1.00 0.00 H new ATOM 0 HA PHE A 91 -10.212 2.549 4.210 1.00 0.00 H new ATOM 0 HB2 PHE A 91 -10.549 5.583 4.256 1.00 0.00 H new ATOM 0 HB3 PHE A 91 -9.621 4.754 5.490 1.00 0.00 H new ATOM 0 HD1 PHE A 91 -9.830 5.533 1.882 1.00 0.00 H new ATOM 0 HD2 PHE A 91 -7.514 3.649 4.965 1.00 0.00 H new ATOM 0 HE1 PHE A 91 -7.899 5.380 0.335 1.00 0.00 H new ATOM 0 HE2 PHE A 91 -5.582 3.491 3.421 1.00 0.00 H new ATOM 0 HZ PHE A 91 -5.775 4.352 1.103 1.00 0.00 H new ATOM 1513 N LEU A 92 -11.592 2.271 6.251 1.00 0.00 N ATOM 1514 CA LEU A 92 -12.447 2.066 7.456 1.00 0.00 C ATOM 1515 C LEU A 92 -11.700 2.586 8.680 1.00 0.00 C ATOM 1516 O LEU A 92 -12.155 3.463 9.384 1.00 0.00 O ATOM 1517 CB LEU A 92 -12.700 0.566 7.640 1.00 0.00 C ATOM 1518 CG LEU A 92 -13.585 0.325 8.875 1.00 0.00 C ATOM 1519 CD1 LEU A 92 -14.960 0.985 8.680 1.00 0.00 C ATOM 1520 CD2 LEU A 92 -13.755 -1.183 9.085 1.00 0.00 C ATOM 0 H LEU A 92 -10.882 1.554 6.101 1.00 0.00 H new ATOM 0 HA LEU A 92 -13.393 2.594 7.335 1.00 0.00 H new ATOM 0 HB2 LEU A 92 -13.184 0.160 6.752 1.00 0.00 H new ATOM 0 HB3 LEU A 92 -11.752 0.041 7.755 1.00 0.00 H new ATOM 0 HG LEU A 92 -13.110 0.766 9.751 1.00 0.00 H new ATOM 0 HD11 LEU A 92 -15.577 0.807 9.561 1.00 0.00 H new ATOM 0 HD12 LEU A 92 -14.832 2.058 8.537 1.00 0.00 H new ATOM 0 HD13 LEU A 92 -15.447 0.558 7.803 1.00 0.00 H new ATOM 0 HD21 LEU A 92 -14.381 -1.360 9.959 1.00 0.00 H new ATOM 0 HD22 LEU A 92 -14.226 -1.622 8.206 1.00 0.00 H new ATOM 0 HD23 LEU A 92 -12.778 -1.641 9.240 1.00 0.00 H new ATOM 1532 N TYR A 93 -10.554 2.021 8.939 1.00 0.00 N ATOM 1533 CA TYR A 93 -9.741 2.426 10.120 1.00 0.00 C ATOM 1534 C TYR A 93 -8.278 2.499 9.685 1.00 0.00 C ATOM 1535 O TYR A 93 -7.758 1.555 9.128 1.00 0.00 O ATOM 1536 CB TYR A 93 -9.906 1.348 11.193 1.00 0.00 C ATOM 1537 CG TYR A 93 -9.203 1.750 12.468 1.00 0.00 C ATOM 1538 CD1 TYR A 93 -9.787 2.692 13.320 1.00 0.00 C ATOM 1539 CD2 TYR A 93 -7.978 1.161 12.809 1.00 0.00 C ATOM 1540 CE1 TYR A 93 -9.150 3.047 14.514 1.00 0.00 C ATOM 1541 CE2 TYR A 93 -7.339 1.519 14.003 1.00 0.00 C ATOM 1542 CZ TYR A 93 -7.926 2.461 14.856 1.00 0.00 C ATOM 1543 OH TYR A 93 -7.299 2.810 16.036 1.00 0.00 O ATOM 0 H TYR A 93 -10.139 1.282 8.371 1.00 0.00 H new ATOM 0 HA TYR A 93 -10.057 3.393 10.511 1.00 0.00 H new ATOM 0 HB2 TYR A 93 -10.965 1.185 11.392 1.00 0.00 H new ATOM 0 HB3 TYR A 93 -9.501 0.403 10.831 1.00 0.00 H new ATOM 0 HD1 TYR A 93 -10.731 3.146 13.056 1.00 0.00 H new ATOM 0 HD2 TYR A 93 -7.527 0.432 12.152 1.00 0.00 H new ATOM 0 HE1 TYR A 93 -9.603 3.774 15.172 1.00 0.00 H new ATOM 0 HE2 TYR A 93 -6.393 1.068 14.266 1.00 0.00 H new ATOM 0 HH TYR A 93 -6.460 2.310 16.121 1.00 0.00 H new ATOM 1553 N LEU A 94 -7.613 3.606 9.919 1.00 0.00 N ATOM 1554 CA LEU A 94 -6.175 3.730 9.497 1.00 0.00 C ATOM 1555 C LEU A 94 -5.278 3.935 10.718 1.00 0.00 C ATOM 1556 O LEU A 94 -5.480 4.833 11.508 1.00 0.00 O ATOM 1557 CB LEU A 94 -6.029 4.923 8.542 1.00 0.00 C ATOM 1558 CG LEU A 94 -4.549 5.146 8.181 1.00 0.00 C ATOM 1559 CD1 LEU A 94 -3.938 3.857 7.611 1.00 0.00 C ATOM 1560 CD2 LEU A 94 -4.452 6.259 7.134 1.00 0.00 C ATOM 0 H LEU A 94 -8.000 4.428 10.382 1.00 0.00 H new ATOM 0 HA LEU A 94 -5.871 2.813 8.991 1.00 0.00 H new ATOM 0 HB2 LEU A 94 -6.608 4.744 7.636 1.00 0.00 H new ATOM 0 HB3 LEU A 94 -6.435 5.821 9.007 1.00 0.00 H new ATOM 0 HG LEU A 94 -4.001 5.428 9.080 1.00 0.00 H new ATOM 0 HD11 LEU A 94 -2.891 4.030 7.360 1.00 0.00 H new ATOM 0 HD12 LEU A 94 -4.007 3.062 8.354 1.00 0.00 H new ATOM 0 HD13 LEU A 94 -4.482 3.562 6.714 1.00 0.00 H new ATOM 0 HD21 LEU A 94 -3.406 6.423 6.873 1.00 0.00 H new ATOM 0 HD22 LEU A 94 -5.007 5.969 6.242 1.00 0.00 H new ATOM 0 HD23 LEU A 94 -4.873 7.179 7.540 1.00 0.00 H new ATOM 1572 N HIS A 95 -4.267 3.112 10.859 1.00 0.00 N ATOM 1573 CA HIS A 95 -3.323 3.253 12.008 1.00 0.00 C ATOM 1574 C HIS A 95 -1.894 3.014 11.511 1.00 0.00 C ATOM 1575 O HIS A 95 -1.508 1.904 11.207 1.00 0.00 O ATOM 1576 CB HIS A 95 -3.673 2.235 13.091 1.00 0.00 C ATOM 1577 CG HIS A 95 -2.756 2.430 14.264 1.00 0.00 C ATOM 1578 ND1 HIS A 95 -1.493 1.863 14.316 1.00 0.00 N ATOM 1579 CD2 HIS A 95 -2.899 3.135 15.433 1.00 0.00 C ATOM 1580 CE1 HIS A 95 -0.929 2.235 15.479 1.00 0.00 C ATOM 1581 NE2 HIS A 95 -1.745 3.011 16.199 1.00 0.00 N ATOM 0 H HIS A 95 -4.055 2.344 10.222 1.00 0.00 H new ATOM 0 HA HIS A 95 -3.401 4.256 12.428 1.00 0.00 H new ATOM 0 HB2 HIS A 95 -4.711 2.357 13.401 1.00 0.00 H new ATOM 0 HB3 HIS A 95 -3.574 1.222 12.701 1.00 0.00 H new ATOM 0 HD2 HIS A 95 -3.775 3.700 15.715 1.00 0.00 H new ATOM 0 HE1 HIS A 95 0.062 1.942 15.793 1.00 0.00 H new ATOM 0 HE2 HIS A 95 -1.561 3.423 17.114 1.00 0.00 H new ATOM 1589 N ASN A 96 -1.110 4.058 11.414 1.00 0.00 N ATOM 1590 CA ASN A 96 0.294 3.914 10.923 1.00 0.00 C ATOM 1591 C ASN A 96 1.256 3.809 12.111 1.00 0.00 C ATOM 1592 O ASN A 96 0.864 3.922 13.255 1.00 0.00 O ATOM 1593 CB ASN A 96 0.651 5.141 10.082 1.00 0.00 C ATOM 1594 CG ASN A 96 2.070 4.999 9.527 1.00 0.00 C ATOM 1595 OD1 ASN A 96 3.016 5.480 10.119 1.00 0.00 O ATOM 1596 ND2 ASN A 96 2.259 4.363 8.404 1.00 0.00 N ATOM 0 H ASN A 96 -1.385 5.010 11.656 1.00 0.00 H new ATOM 0 HA ASN A 96 0.379 3.010 10.320 1.00 0.00 H new ATOM 0 HB2 ASN A 96 -0.060 5.250 9.263 1.00 0.00 H new ATOM 0 HB3 ASN A 96 0.578 6.043 10.690 1.00 0.00 H new ATOM 0 HD21 ASN A 96 3.201 4.270 8.023 1.00 0.00 H new ATOM 0 HD22 ASN A 96 1.465 3.959 7.907 1.00 0.00 H new ATOM 1603 N THR A 97 2.512 3.585 11.838 1.00 0.00 N ATOM 1604 CA THR A 97 3.515 3.459 12.933 1.00 0.00 C ATOM 1605 C THR A 97 3.444 4.671 13.864 1.00 0.00 C ATOM 1606 O THR A 97 3.887 5.750 13.525 1.00 0.00 O ATOM 1607 CB THR A 97 4.911 3.372 12.319 1.00 0.00 C ATOM 1608 OG1 THR A 97 5.147 4.522 11.518 1.00 0.00 O ATOM 1609 CG2 THR A 97 4.999 2.116 11.456 1.00 0.00 C ATOM 0 H THR A 97 2.889 3.483 10.896 1.00 0.00 H new ATOM 0 HA THR A 97 3.302 2.560 13.512 1.00 0.00 H new ATOM 0 HB THR A 97 5.661 3.325 13.109 1.00 0.00 H new ATOM 0 HG1 THR A 97 4.347 4.721 10.988 1.00 0.00 H new ATOM 0 HG21 THR A 97 5.993 2.047 11.014 1.00 0.00 H new ATOM 0 HG22 THR A 97 4.814 1.237 12.073 1.00 0.00 H new ATOM 0 HG23 THR A 97 4.252 2.166 10.663 1.00 0.00 H new ATOM 1617 N VAL A 98 2.904 4.480 15.043 1.00 0.00 N ATOM 1618 CA VAL A 98 2.795 5.588 16.046 1.00 0.00 C ATOM 1619 C VAL A 98 2.509 6.919 15.347 1.00 0.00 C ATOM 1620 O VAL A 98 2.931 7.966 15.789 1.00 0.00 O ATOM 1621 CB VAL A 98 4.101 5.678 16.862 1.00 0.00 C ATOM 1622 CG1 VAL A 98 5.301 5.970 15.940 1.00 0.00 C ATOM 1623 CG2 VAL A 98 3.978 6.779 17.944 1.00 0.00 C ATOM 0 H VAL A 98 2.527 3.586 15.359 1.00 0.00 H new ATOM 0 HA VAL A 98 1.967 5.375 16.721 1.00 0.00 H new ATOM 0 HB VAL A 98 4.269 4.718 17.350 1.00 0.00 H new ATOM 0 HG11 VAL A 98 6.212 6.029 16.536 1.00 0.00 H new ATOM 0 HG12 VAL A 98 5.399 5.170 15.206 1.00 0.00 H new ATOM 0 HG13 VAL A 98 5.142 6.917 15.425 1.00 0.00 H new ATOM 0 HG21 VAL A 98 4.905 6.834 18.514 1.00 0.00 H new ATOM 0 HG22 VAL A 98 3.789 7.740 17.465 1.00 0.00 H new ATOM 0 HG23 VAL A 98 3.153 6.539 18.615 1.00 0.00 H new ATOM 1633 N MET A 99 1.797 6.883 14.257 1.00 0.00 N ATOM 1634 CA MET A 99 1.489 8.144 13.524 1.00 0.00 C ATOM 1635 C MET A 99 0.153 7.985 12.793 1.00 0.00 C ATOM 1636 O MET A 99 0.073 8.144 11.592 1.00 0.00 O ATOM 1637 CB MET A 99 2.601 8.418 12.507 1.00 0.00 C ATOM 1638 CG MET A 99 2.453 9.833 11.937 1.00 0.00 C ATOM 1639 SD MET A 99 3.997 10.323 11.129 1.00 0.00 S ATOM 1640 CE MET A 99 4.113 8.926 9.986 1.00 0.00 C ATOM 0 H MET A 99 1.414 6.034 13.840 1.00 0.00 H new ATOM 0 HA MET A 99 1.424 8.976 14.225 1.00 0.00 H new ATOM 0 HB2 MET A 99 3.575 8.309 12.983 1.00 0.00 H new ATOM 0 HB3 MET A 99 2.556 7.686 11.701 1.00 0.00 H new ATOM 0 HG2 MET A 99 1.630 9.865 11.223 1.00 0.00 H new ATOM 0 HG3 MET A 99 2.209 10.534 12.735 1.00 0.00 H new ATOM 0 HE1 MET A 99 4.718 9.210 9.125 1.00 0.00 H new ATOM 0 HE2 MET A 99 4.576 8.079 10.492 1.00 0.00 H new ATOM 0 HE3 MET A 99 3.114 8.646 9.651 1.00 0.00 H new ATOM 1650 N PRO A 100 -0.887 7.665 13.517 1.00 0.00 N ATOM 1651 CA PRO A 100 -2.246 7.471 12.933 1.00 0.00 C ATOM 1652 C PRO A 100 -2.859 8.779 12.419 1.00 0.00 C ATOM 1653 O PRO A 100 -2.698 9.830 13.009 1.00 0.00 O ATOM 1654 CB PRO A 100 -3.063 6.903 14.106 1.00 0.00 C ATOM 1655 CG PRO A 100 -2.372 7.407 15.329 1.00 0.00 C ATOM 1656 CD PRO A 100 -0.886 7.455 14.977 1.00 0.00 C ATOM 0 HA PRO A 100 -2.225 6.817 12.061 1.00 0.00 H new ATOM 0 HB2 PRO A 100 -4.098 7.242 14.068 1.00 0.00 H new ATOM 0 HB3 PRO A 100 -3.083 5.813 14.083 1.00 0.00 H new ATOM 0 HG2 PRO A 100 -2.740 8.395 15.607 1.00 0.00 H new ATOM 0 HG3 PRO A 100 -2.552 6.749 16.179 1.00 0.00 H new ATOM 0 HD2 PRO A 100 -0.375 8.264 15.499 1.00 0.00 H new ATOM 0 HD3 PRO A 100 -0.378 6.530 15.249 1.00 0.00 H new ATOM 1664 N LEU A 101 -3.571 8.708 11.327 1.00 0.00 N ATOM 1665 CA LEU A 101 -4.222 9.923 10.758 1.00 0.00 C ATOM 1666 C LEU A 101 -5.710 9.880 11.094 1.00 0.00 C ATOM 1667 O LEU A 101 -6.267 10.818 11.625 1.00 0.00 O ATOM 1668 CB LEU A 101 -4.075 9.908 9.235 1.00 0.00 C ATOM 1669 CG LEU A 101 -2.604 9.738 8.846 1.00 0.00 C ATOM 1670 CD1 LEU A 101 -2.497 9.642 7.322 1.00 0.00 C ATOM 1671 CD2 LEU A 101 -1.789 10.939 9.343 1.00 0.00 C ATOM 0 H LEU A 101 -3.731 7.850 10.799 1.00 0.00 H new ATOM 0 HA LEU A 101 -3.757 10.818 11.171 1.00 0.00 H new ATOM 0 HB2 LEU A 101 -4.666 9.095 8.814 1.00 0.00 H new ATOM 0 HB3 LEU A 101 -4.464 10.836 8.816 1.00 0.00 H new ATOM 0 HG LEU A 101 -2.211 8.830 9.302 1.00 0.00 H new ATOM 0 HD11 LEU A 101 -1.452 9.521 7.038 1.00 0.00 H new ATOM 0 HD12 LEU A 101 -3.071 8.784 6.970 1.00 0.00 H new ATOM 0 HD13 LEU A 101 -2.892 10.552 6.871 1.00 0.00 H new ATOM 0 HD21 LEU A 101 -0.744 10.811 9.062 1.00 0.00 H new ATOM 0 HD22 LEU A 101 -2.176 11.853 8.892 1.00 0.00 H new ATOM 0 HD23 LEU A 101 -1.868 11.008 10.428 1.00 0.00 H new ATOM 1683 N LEU A 102 -6.357 8.788 10.764 1.00 0.00 N ATOM 1684 CA LEU A 102 -7.824 8.656 11.026 1.00 0.00 C ATOM 1685 C LEU A 102 -8.101 7.487 11.968 1.00 0.00 C ATOM 1686 O LEU A 102 -7.615 6.389 11.786 1.00 0.00 O ATOM 1687 CB LEU A 102 -8.525 8.409 9.691 1.00 0.00 C ATOM 1688 CG LEU A 102 -8.171 9.542 8.720 1.00 0.00 C ATOM 1689 CD1 LEU A 102 -8.837 9.281 7.367 1.00 0.00 C ATOM 1690 CD2 LEU A 102 -8.650 10.892 9.285 1.00 0.00 C ATOM 0 H LEU A 102 -5.927 7.976 10.321 1.00 0.00 H new ATOM 0 HA LEU A 102 -8.194 9.568 11.495 1.00 0.00 H new ATOM 0 HB2 LEU A 102 -8.217 7.449 9.277 1.00 0.00 H new ATOM 0 HB3 LEU A 102 -9.604 8.362 9.836 1.00 0.00 H new ATOM 0 HG LEU A 102 -7.089 9.578 8.592 1.00 0.00 H new ATOM 0 HD11 LEU A 102 -8.586 10.086 6.676 1.00 0.00 H new ATOM 0 HD12 LEU A 102 -8.482 8.333 6.964 1.00 0.00 H new ATOM 0 HD13 LEU A 102 -9.918 9.238 7.496 1.00 0.00 H new ATOM 0 HD21 LEU A 102 -8.394 11.690 8.588 1.00 0.00 H new ATOM 0 HD22 LEU A 102 -9.731 10.865 9.424 1.00 0.00 H new ATOM 0 HD23 LEU A 102 -8.165 11.078 10.243 1.00 0.00 H new ATOM 1702 N ASP A 103 -8.903 7.724 12.969 1.00 0.00 N ATOM 1703 CA ASP A 103 -9.253 6.645 13.931 1.00 0.00 C ATOM 1704 C ASP A 103 -10.600 6.985 14.574 1.00 0.00 C ATOM 1705 O ASP A 103 -10.673 7.344 15.731 1.00 0.00 O ATOM 1706 CB ASP A 103 -8.165 6.535 15.006 1.00 0.00 C ATOM 1707 CG ASP A 103 -8.038 7.861 15.756 1.00 0.00 C ATOM 1708 OD1 ASP A 103 -8.699 8.809 15.364 1.00 0.00 O ATOM 1709 OD2 ASP A 103 -7.278 7.911 16.711 1.00 0.00 O ATOM 0 H ASP A 103 -9.334 8.628 13.162 1.00 0.00 H new ATOM 0 HA ASP A 103 -9.324 5.689 13.413 1.00 0.00 H new ATOM 0 HB2 ASP A 103 -8.411 5.735 15.704 1.00 0.00 H new ATOM 0 HB3 ASP A 103 -7.212 6.275 14.546 1.00 0.00 H new ATOM 1714 N GLN A 104 -11.672 6.882 13.820 1.00 0.00 N ATOM 1715 CA GLN A 104 -13.027 7.204 14.372 1.00 0.00 C ATOM 1716 C GLN A 104 -13.772 5.912 14.711 1.00 0.00 C ATOM 1717 O GLN A 104 -14.045 5.092 13.859 1.00 0.00 O ATOM 1718 CB GLN A 104 -13.821 8.003 13.334 1.00 0.00 C ATOM 1719 CG GLN A 104 -13.240 9.415 13.239 1.00 0.00 C ATOM 1720 CD GLN A 104 -13.980 10.209 12.162 1.00 0.00 C ATOM 1721 OE1 GLN A 104 -13.932 9.867 10.998 1.00 0.00 O ATOM 1722 NE2 GLN A 104 -14.664 11.267 12.506 1.00 0.00 N ATOM 0 H GLN A 104 -11.665 6.588 12.843 1.00 0.00 H new ATOM 0 HA GLN A 104 -12.916 7.797 15.280 1.00 0.00 H new ATOM 0 HB2 GLN A 104 -13.773 7.510 12.363 1.00 0.00 H new ATOM 0 HB3 GLN A 104 -14.873 8.047 13.617 1.00 0.00 H new ATOM 0 HG2 GLN A 104 -13.328 9.920 14.201 1.00 0.00 H new ATOM 0 HG3 GLN A 104 -12.177 9.366 13.001 1.00 0.00 H new ATOM 0 HE21 GLN A 104 -14.703 11.553 13.484 1.00 0.00 H new ATOM 0 HE22 GLN A 104 -15.159 11.807 11.796 1.00 0.00 H new ATOM 1731 N ARG A 105 -14.095 5.735 15.960 1.00 0.00 N ATOM 1732 CA ARG A 105 -14.819 4.508 16.399 1.00 0.00 C ATOM 1733 C ARG A 105 -16.227 4.491 15.796 1.00 0.00 C ATOM 1734 O ARG A 105 -16.755 3.453 15.455 1.00 0.00 O ATOM 1735 CB ARG A 105 -14.926 4.525 17.925 1.00 0.00 C ATOM 1736 CG ARG A 105 -13.531 4.505 18.564 1.00 0.00 C ATOM 1737 CD ARG A 105 -12.954 3.084 18.558 1.00 0.00 C ATOM 1738 NE ARG A 105 -11.667 3.075 19.315 1.00 0.00 N ATOM 1739 CZ ARG A 105 -10.532 3.300 18.703 1.00 0.00 C ATOM 1740 NH1 ARG A 105 -10.510 3.557 17.424 1.00 0.00 N ATOM 1741 NH2 ARG A 105 -9.417 3.274 19.379 1.00 0.00 N ATOM 0 H ARG A 105 -13.886 6.397 16.707 1.00 0.00 H new ATOM 0 HA ARG A 105 -14.277 3.623 16.066 1.00 0.00 H new ATOM 0 HB2 ARG A 105 -15.467 5.415 18.247 1.00 0.00 H new ATOM 0 HB3 ARG A 105 -15.500 3.663 18.264 1.00 0.00 H new ATOM 0 HG2 ARG A 105 -12.866 5.175 18.019 1.00 0.00 H new ATOM 0 HG3 ARG A 105 -13.589 4.875 19.588 1.00 0.00 H new ATOM 0 HD2 ARG A 105 -13.661 2.389 19.011 1.00 0.00 H new ATOM 0 HD3 ARG A 105 -12.790 2.749 17.534 1.00 0.00 H new ATOM 0 HE ARG A 105 -11.672 2.892 20.318 1.00 0.00 H new ATOM 0 HH11 ARG A 105 -11.381 3.584 16.894 1.00 0.00 H new ATOM 0 HH12 ARG A 105 -9.622 3.731 16.954 1.00 0.00 H new ATOM 0 HH21 ARG A 105 -9.432 3.079 20.380 1.00 0.00 H new ATOM 0 HH22 ARG A 105 -8.530 3.449 18.907 1.00 0.00 H new ATOM 1755 N TYR A 106 -16.846 5.632 15.686 1.00 0.00 N ATOM 1756 CA TYR A 106 -18.223 5.677 15.126 1.00 0.00 C ATOM 1757 C TYR A 106 -18.200 5.129 13.699 1.00 0.00 C ATOM 1758 O TYR A 106 -19.041 4.346 13.309 1.00 0.00 O ATOM 1759 CB TYR A 106 -18.706 7.126 15.108 1.00 0.00 C ATOM 1760 CG TYR A 106 -18.591 7.709 16.496 1.00 0.00 C ATOM 1761 CD1 TYR A 106 -19.595 7.477 17.441 1.00 0.00 C ATOM 1762 CD2 TYR A 106 -17.473 8.481 16.835 1.00 0.00 C ATOM 1763 CE1 TYR A 106 -19.483 8.018 18.728 1.00 0.00 C ATOM 1764 CE2 TYR A 106 -17.359 9.021 18.121 1.00 0.00 C ATOM 1765 CZ TYR A 106 -18.364 8.789 19.069 1.00 0.00 C ATOM 1766 OH TYR A 106 -18.254 9.320 20.338 1.00 0.00 O ATOM 0 H TYR A 106 -16.458 6.535 15.960 1.00 0.00 H new ATOM 0 HA TYR A 106 -18.895 5.075 15.738 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -18.112 7.710 14.406 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -19.740 7.172 14.766 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -20.457 6.881 17.179 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -16.699 8.660 16.104 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -20.259 7.841 19.458 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -16.497 9.616 18.382 1.00 0.00 H new ATOM 0 HH TYR A 106 -17.418 9.827 20.409 1.00 0.00 H new ATOM 1776 N LEU A 107 -17.237 5.533 12.923 1.00 0.00 N ATOM 1777 CA LEU A 107 -17.145 5.036 11.524 1.00 0.00 C ATOM 1778 C LEU A 107 -16.878 3.528 11.535 1.00 0.00 C ATOM 1779 O LEU A 107 -17.400 2.790 10.726 1.00 0.00 O ATOM 1780 CB LEU A 107 -15.994 5.756 10.808 1.00 0.00 C ATOM 1781 CG LEU A 107 -15.857 5.249 9.361 1.00 0.00 C ATOM 1782 CD1 LEU A 107 -17.168 5.473 8.588 1.00 0.00 C ATOM 1783 CD2 LEU A 107 -14.709 5.997 8.671 1.00 0.00 C ATOM 0 H LEU A 107 -16.506 6.189 13.198 1.00 0.00 H new ATOM 0 HA LEU A 107 -18.081 5.233 11.002 1.00 0.00 H new ATOM 0 HB2 LEU A 107 -16.174 6.831 10.807 1.00 0.00 H new ATOM 0 HB3 LEU A 107 -15.062 5.590 11.348 1.00 0.00 H new ATOM 0 HG LEU A 107 -15.643 4.180 9.375 1.00 0.00 H new ATOM 0 HD11 LEU A 107 -17.055 5.109 7.567 1.00 0.00 H new ATOM 0 HD12 LEU A 107 -17.977 4.931 9.079 1.00 0.00 H new ATOM 0 HD13 LEU A 107 -17.403 6.537 8.570 1.00 0.00 H new ATOM 0 HD21 LEU A 107 -14.608 5.642 7.646 1.00 0.00 H new ATOM 0 HD22 LEU A 107 -14.923 7.066 8.665 1.00 0.00 H new ATOM 0 HD23 LEU A 107 -13.780 5.816 9.211 1.00 0.00 H new ATOM 1795 N LEU A 108 -16.041 3.075 12.426 1.00 0.00 N ATOM 1796 CA LEU A 108 -15.703 1.623 12.469 1.00 0.00 C ATOM 1797 C LEU A 108 -16.968 0.801 12.756 1.00 0.00 C ATOM 1798 O LEU A 108 -17.231 -0.196 12.118 1.00 0.00 O ATOM 1799 CB LEU A 108 -14.667 1.394 13.585 1.00 0.00 C ATOM 1800 CG LEU A 108 -13.802 0.167 13.268 1.00 0.00 C ATOM 1801 CD1 LEU A 108 -12.776 -0.037 14.386 1.00 0.00 C ATOM 1802 CD2 LEU A 108 -14.685 -1.084 13.132 1.00 0.00 C ATOM 0 H LEU A 108 -15.575 3.649 13.129 1.00 0.00 H new ATOM 0 HA LEU A 108 -15.293 1.308 11.510 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -14.035 2.276 13.689 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -15.176 1.252 14.539 1.00 0.00 H new ATOM 0 HG LEU A 108 -13.281 0.331 12.324 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -12.161 -0.909 14.161 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -12.141 0.845 14.462 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -13.295 -0.193 15.332 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -14.060 -1.948 12.907 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -15.219 -1.256 14.067 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -15.403 -0.936 12.326 1.00 0.00 H new