USER MOD reduce.3.24.130724 H: found=0, std=0, add=1072, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1070 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 78 MET CE :methyl -119:sc= -17.2! (180deg=-27!) USER MOD Set 1.2: A 86 MET CE :methyl -124:sc= -7.09! (180deg=-7.95!) USER MOD Set 2.1: A 67 ASN : amide:sc= 0.196 K(o=1.3,f=0.42) USER MOD Set 2.2: A 80 HIS : no HE2:sc= 1.06 K(o=1.3,f=-5.5!) USER MOD Set 3.1: A 43 MET CE :methyl 180:sc= -0.0102 (180deg=0) USER MOD Set 3.2: A 44 THR OG1 : rot 88:sc= 0.852 USER MOD Single : A 1 SER N :NH3+ -135:sc= -3.42! (180deg=-8.81!) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 5 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 7 ASN :FLIP amide:sc= -1.28 F(o=-3.3!,f=-1.3) USER MOD Single : A 9 SER OG : rot 180:sc= -0.105 USER MOD Single : A 10 ASN : amide:sc= -1.48 K(o=-1.5,f=-3.8!) USER MOD Single : A 11 ASN : amide:sc= -2.78 K(o=-2.8,f=-4.8) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 16 MET CE :methyl -152:sc= -13! (180deg=-14.1!) USER MOD Single : A 18 GLN : amide:sc= -0.0259 K(o=-0.026,f=-1.4!) USER MOD Single : A 20 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 44:sc= 0.579 USER MOD Single : A 28 SER OG : rot 180:sc= -0.707 USER MOD Single : A 34 TYR OH : rot -9:sc= -0.325 USER MOD Single : A 35 ASN : amide:sc=-0.00199 X(o=-0.002,f=-0.084) USER MOD Single : A 38 LYS NZ :NH3+ 162:sc=-0.00701 (180deg=-0.0937) USER MOD Single : A 41 TYR OH : rot 86:sc= -2.82! USER MOD Single : A 53 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 69 HIS : no HD1:sc= -3.97! C(o=-4!,f=-5.4!) USER MOD Single : A 70 HIS : no HD1:sc= -2.1 X(o=-2.1,f=-2.3) USER MOD Single : A 72 ASN :FLIP amide:sc= -0.676! F(o=-1.3,f=-0.68!) USER MOD Single : A 74 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 THR OG1 : rot 180:sc= -1.27 USER MOD Single : A 88 GLN :FLIP amide:sc= 0 F(o=-2.6!,f=0) USER MOD Single : A 89 GLN : amide:sc= -0.614 K(o=-0.61,f=-6.5!) USER MOD Single : A 95 HIS : no HD1:sc= -4.15! C(o=-4.2!,f=-4.8!) USER MOD Single : A 99 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 104 ASN : amide:sc= 0.116 K(o=0.12,f=-3.5!) USER MOD Single : A 107 LYS NZ :NH3+ -179:sc= 0 (180deg=-0.00289) USER MOD Single : A 109 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 110 LYS NZ :NH3+ 151:sc= -3.25! (180deg=-5.06!) USER MOD Single : A 111 THR OG1 : rot -160:sc= -0.815 USER MOD Single : A 116 MET CE :methyl 166:sc= -0.143 (180deg=-0.288) USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 120 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HE2:sc= -9.79! C(o=-9.8!,f=-12!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.0139 X(o=-0.014,f=0) USER MOD Single : A 130 ASN : amide:sc= -0.0134 X(o=-0.013,f=-0.1) USER MOD Single : A 131 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 -9.361 -9.606 -15.557 1.00 0.00 N ATOM 2 CA SER A 1 -9.048 -11.023 -15.614 1.00 0.00 C ATOM 3 C SER A 1 -8.279 -11.440 -14.360 1.00 0.00 C ATOM 4 O SER A 1 -8.655 -12.400 -13.687 1.00 0.00 O ATOM 5 CB SER A 1 -8.237 -11.359 -16.868 1.00 0.00 C ATOM 6 OG SER A 1 -8.953 -12.218 -17.753 1.00 0.00 O ATOM 0 H1 SER A 1 -10.351 -9.457 -15.840 1.00 0.00 H new ATOM 0 H2 SER A 1 -9.222 -9.259 -14.587 1.00 0.00 H new ATOM 0 H3 SER A 1 -8.735 -9.086 -16.204 1.00 0.00 H new ATOM 0 HA SER A 1 -9.985 -11.577 -15.660 1.00 0.00 H new ATOM 0 HB2 SER A 1 -7.976 -10.438 -17.389 1.00 0.00 H new ATOM 0 HB3 SER A 1 -7.301 -11.836 -16.577 1.00 0.00 H new ATOM 0 HG SER A 1 -8.403 -12.408 -18.541 1.00 0.00 H new ATOM 12 N PRO A 2 -7.188 -10.680 -14.073 1.00 0.00 N ATOM 13 CA PRO A 2 -6.364 -10.961 -12.911 1.00 0.00 C ATOM 14 C PRO A 2 -7.059 -10.510 -11.624 1.00 0.00 C ATOM 15 O PRO A 2 -8.264 -10.264 -11.618 1.00 0.00 O ATOM 16 CB PRO A 2 -5.058 -10.227 -13.168 1.00 0.00 C ATOM 17 CG PRO A 2 -5.366 -9.190 -14.237 1.00 0.00 C ATOM 18 CD PRO A 2 -6.714 -9.536 -14.846 1.00 0.00 C ATOM 0 HA PRO A 2 -6.186 -12.027 -12.770 1.00 0.00 H new ATOM 0 HB2 PRO A 2 -4.691 -9.753 -12.258 1.00 0.00 H new ATOM 0 HB3 PRO A 2 -4.282 -10.916 -13.504 1.00 0.00 H new ATOM 0 HG2 PRO A 2 -5.388 -8.190 -13.804 1.00 0.00 H new ATOM 0 HG3 PRO A 2 -4.590 -9.189 -15.003 1.00 0.00 H new ATOM 0 HD2 PRO A 2 -7.407 -8.697 -14.777 1.00 0.00 H new ATOM 0 HD3 PRO A 2 -6.619 -9.785 -15.903 1.00 0.00 H new ATOM 26 N GLU A 3 -6.268 -10.416 -10.565 1.00 0.00 N ATOM 27 CA GLU A 3 -6.793 -10.000 -9.274 1.00 0.00 C ATOM 28 C GLU A 3 -7.531 -8.666 -9.408 1.00 0.00 C ATOM 29 O GLU A 3 -8.419 -8.363 -8.613 1.00 0.00 O ATOM 30 CB GLU A 3 -5.675 -9.905 -8.234 1.00 0.00 C ATOM 31 CG GLU A 3 -6.176 -10.333 -6.852 1.00 0.00 C ATOM 32 CD GLU A 3 -6.153 -11.856 -6.708 1.00 0.00 C ATOM 33 OE1 GLU A 3 -5.080 -12.375 -6.334 1.00 0.00 O ATOM 34 OE2 GLU A 3 -7.211 -12.467 -6.976 1.00 0.00 O ATOM 0 H GLU A 3 -5.269 -10.620 -10.574 1.00 0.00 H new ATOM 0 HA GLU A 3 -7.502 -10.753 -8.930 1.00 0.00 H new ATOM 0 HB2 GLU A 3 -4.839 -10.537 -8.534 1.00 0.00 H new ATOM 0 HB3 GLU A 3 -5.301 -8.882 -8.189 1.00 0.00 H new ATOM 0 HG2 GLU A 3 -5.553 -9.882 -6.080 1.00 0.00 H new ATOM 0 HG3 GLU A 3 -7.190 -9.965 -6.699 1.00 0.00 H new ATOM 41 N ILE A 4 -7.138 -7.906 -10.419 1.00 0.00 N ATOM 42 CA ILE A 4 -7.752 -6.612 -10.665 1.00 0.00 C ATOM 43 C ILE A 4 -9.263 -6.791 -10.820 1.00 0.00 C ATOM 44 O ILE A 4 -10.041 -5.944 -10.380 1.00 0.00 O ATOM 45 CB ILE A 4 -7.089 -5.924 -11.862 1.00 0.00 C ATOM 46 CG1 ILE A 4 -5.572 -6.118 -11.834 1.00 0.00 C ATOM 47 CG2 ILE A 4 -7.477 -4.446 -11.928 1.00 0.00 C ATOM 48 CD1 ILE A 4 -5.014 -5.885 -10.429 1.00 0.00 C ATOM 0 H ILE A 4 -6.402 -8.161 -11.078 1.00 0.00 H new ATOM 0 HA ILE A 4 -7.594 -5.947 -9.816 1.00 0.00 H new ATOM 0 HB ILE A 4 -7.457 -6.394 -12.774 1.00 0.00 H new ATOM 0 HG12 ILE A 4 -5.325 -7.127 -12.164 1.00 0.00 H new ATOM 0 HG13 ILE A 4 -5.101 -5.429 -12.535 1.00 0.00 H new ATOM 0 HG21 ILE A 4 -6.993 -3.981 -12.787 1.00 0.00 H new ATOM 0 HG22 ILE A 4 -8.559 -4.358 -12.029 1.00 0.00 H new ATOM 0 HG23 ILE A 4 -7.156 -3.944 -11.015 1.00 0.00 H new ATOM 0 HD11 ILE A 4 -3.934 -6.029 -10.438 1.00 0.00 H new ATOM 0 HD12 ILE A 4 -5.241 -4.867 -10.111 1.00 0.00 H new ATOM 0 HD13 ILE A 4 -5.469 -6.592 -9.735 1.00 0.00 H new ATOM 60 N MET A 5 -9.636 -7.899 -11.444 1.00 0.00 N ATOM 61 CA MET A 5 -11.041 -8.199 -11.660 1.00 0.00 C ATOM 62 C MET A 5 -11.750 -8.487 -10.336 1.00 0.00 C ATOM 63 O MET A 5 -12.948 -8.242 -10.203 1.00 0.00 O ATOM 64 CB MET A 5 -11.166 -9.414 -12.583 1.00 0.00 C ATOM 65 CG MET A 5 -12.186 -9.156 -13.693 1.00 0.00 C ATOM 66 SD MET A 5 -12.833 -10.704 -14.301 1.00 0.00 S ATOM 67 CE MET A 5 -14.199 -10.107 -15.282 1.00 0.00 C ATOM 0 H MET A 5 -8.990 -8.600 -11.807 1.00 0.00 H new ATOM 0 HA MET A 5 -11.513 -7.331 -12.121 1.00 0.00 H new ATOM 0 HB2 MET A 5 -10.195 -9.643 -13.022 1.00 0.00 H new ATOM 0 HB3 MET A 5 -11.467 -10.286 -12.003 1.00 0.00 H new ATOM 0 HG2 MET A 5 -12.999 -8.537 -13.314 1.00 0.00 H new ATOM 0 HG3 MET A 5 -11.717 -8.604 -14.507 1.00 0.00 H new ATOM 0 HE1 MET A 5 -14.716 -10.951 -15.737 1.00 0.00 H new ATOM 0 HE2 MET A 5 -14.892 -9.558 -14.645 1.00 0.00 H new ATOM 0 HE3 MET A 5 -13.824 -9.447 -16.064 1.00 0.00 H new ATOM 77 N LYS A 6 -10.981 -9.005 -9.389 1.00 0.00 N ATOM 78 CA LYS A 6 -11.520 -9.329 -8.080 1.00 0.00 C ATOM 79 C LYS A 6 -10.969 -8.345 -7.048 1.00 0.00 C ATOM 80 O LYS A 6 -9.801 -8.425 -6.670 1.00 0.00 O ATOM 81 CB LYS A 6 -11.250 -10.796 -7.737 1.00 0.00 C ATOM 82 CG LYS A 6 -9.790 -11.002 -7.326 1.00 0.00 C ATOM 83 CD LYS A 6 -9.645 -11.008 -5.803 1.00 0.00 C ATOM 84 CE LYS A 6 -9.890 -12.406 -5.234 1.00 0.00 C ATOM 85 NZ LYS A 6 -11.059 -12.400 -4.329 1.00 0.00 N ATOM 0 H LYS A 6 -9.988 -9.208 -9.503 1.00 0.00 H new ATOM 0 HA LYS A 6 -12.604 -9.220 -8.077 1.00 0.00 H new ATOM 0 HB2 LYS A 6 -11.908 -11.111 -6.927 1.00 0.00 H new ATOM 0 HB3 LYS A 6 -11.481 -11.423 -8.598 1.00 0.00 H new ATOM 0 HG2 LYS A 6 -9.423 -11.944 -7.734 1.00 0.00 H new ATOM 0 HG3 LYS A 6 -9.174 -10.210 -7.750 1.00 0.00 H new ATOM 0 HD2 LYS A 6 -8.646 -10.670 -5.528 1.00 0.00 H new ATOM 0 HD3 LYS A 6 -10.352 -10.304 -5.364 1.00 0.00 H new ATOM 0 HE2 LYS A 6 -10.056 -13.112 -6.048 1.00 0.00 H new ATOM 0 HE3 LYS A 6 -9.006 -12.745 -4.694 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 -11.211 -13.357 -3.952 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 -10.886 -11.741 -3.543 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 -11.904 -12.097 -4.855 1.00 0.00 H new ATOM 99 N ASN A 7 -11.836 -7.439 -6.619 1.00 0.00 N ATOM 100 CA ASN A 7 -11.450 -6.439 -5.638 1.00 0.00 C ATOM 101 C ASN A 7 -12.303 -6.612 -4.380 1.00 0.00 C ATOM 102 O ASN A 7 -13.463 -7.013 -4.461 1.00 0.00 O ATOM 103 CB ASN A 7 -11.678 -5.024 -6.174 1.00 0.00 C ATOM 104 CG ASN A 7 -13.171 -4.700 -6.250 1.00 0.00 C ATOM 105 OD1 ASN A 7 -13.610 -3.935 -5.254 1.00 0.00 O flip ATOM 106 ND2 ASN A 7 -13.878 -5.119 -7.153 1.00 0.00 N flip ATOM 0 H ASN A 7 -12.804 -7.377 -6.933 1.00 0.00 H new ATOM 0 HA ASN A 7 -10.391 -6.573 -5.417 1.00 0.00 H new ATOM 0 HB2 ASN A 7 -11.178 -4.302 -5.528 1.00 0.00 H new ATOM 0 HB3 ASN A 7 -11.231 -4.930 -7.164 1.00 0.00 H new ATOM 0 HD21 ASN A 7 -13.476 -5.702 -7.887 1.00 0.00 H new ATOM 0 HD22 ASN A 7 -14.871 -4.886 -7.174 1.00 0.00 H new ATOM 113 N LEU A 8 -11.695 -6.297 -3.245 1.00 0.00 N ATOM 114 CA LEU A 8 -12.385 -6.413 -1.970 1.00 0.00 C ATOM 115 C LEU A 8 -13.619 -5.508 -1.980 1.00 0.00 C ATOM 116 O LEU A 8 -13.960 -4.928 -3.009 1.00 0.00 O ATOM 117 CB LEU A 8 -11.423 -6.130 -0.814 1.00 0.00 C ATOM 118 CG LEU A 8 -11.825 -6.700 0.547 1.00 0.00 C ATOM 119 CD1 LEU A 8 -10.727 -7.606 1.107 1.00 0.00 C ATOM 120 CD2 LEU A 8 -12.198 -5.582 1.522 1.00 0.00 C ATOM 0 H LEU A 8 -10.734 -5.962 -3.181 1.00 0.00 H new ATOM 0 HA LEU A 8 -12.738 -7.433 -1.818 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -10.443 -6.528 -1.077 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -11.313 -5.050 -0.715 1.00 0.00 H new ATOM 0 HG LEU A 8 -12.713 -7.317 0.410 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -11.038 -7.998 2.075 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -10.552 -8.433 0.419 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -9.808 -7.033 1.226 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -12.480 -6.015 2.482 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -11.344 -4.919 1.660 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -13.037 -5.014 1.120 1.00 0.00 H new ATOM 132 N SER A 9 -14.255 -5.416 -0.821 1.00 0.00 N ATOM 133 CA SER A 9 -15.444 -4.593 -0.682 1.00 0.00 C ATOM 134 C SER A 9 -15.113 -3.137 -1.017 1.00 0.00 C ATOM 135 O SER A 9 -15.188 -2.728 -2.174 1.00 0.00 O ATOM 136 CB SER A 9 -16.024 -4.696 0.729 1.00 0.00 C ATOM 137 OG SER A 9 -17.019 -3.706 0.970 1.00 0.00 O ATOM 0 H SER A 9 -13.969 -5.898 0.031 1.00 0.00 H new ATOM 0 HA SER A 9 -16.197 -4.958 -1.381 1.00 0.00 H new ATOM 0 HB2 SER A 9 -16.456 -5.687 0.872 1.00 0.00 H new ATOM 0 HB3 SER A 9 -15.222 -4.589 1.459 1.00 0.00 H new ATOM 0 HG SER A 9 -17.366 -3.806 1.881 1.00 0.00 H new ATOM 143 N ASN A 10 -14.755 -2.392 0.020 1.00 0.00 N ATOM 144 CA ASN A 10 -14.412 -0.991 -0.149 1.00 0.00 C ATOM 145 C ASN A 10 -12.968 -0.764 0.305 1.00 0.00 C ATOM 146 O ASN A 10 -12.236 0.011 -0.308 1.00 0.00 O ATOM 147 CB ASN A 10 -15.320 -0.096 0.699 1.00 0.00 C ATOM 148 CG ASN A 10 -16.676 0.109 0.020 1.00 0.00 C ATOM 149 OD1 ASN A 10 -16.795 0.123 -1.193 1.00 0.00 O ATOM 150 ND2 ASN A 10 -17.687 0.266 0.870 1.00 0.00 N ATOM 0 H ASN A 10 -14.695 -2.733 0.979 1.00 0.00 H new ATOM 0 HA ASN A 10 -14.536 -0.738 -1.202 1.00 0.00 H new ATOM 0 HB2 ASN A 10 -15.465 -0.546 1.681 1.00 0.00 H new ATOM 0 HB3 ASN A 10 -14.839 0.869 0.858 1.00 0.00 H new ATOM 0 HD21 ASN A 10 -18.633 0.409 0.516 1.00 0.00 H new ATOM 0 HD22 ASN A 10 -17.516 0.243 1.875 1.00 0.00 H new ATOM 157 N ASN A 11 -12.603 -1.456 1.374 1.00 0.00 N ATOM 158 CA ASN A 11 -11.260 -1.341 1.917 1.00 0.00 C ATOM 159 C ASN A 11 -10.268 -1.129 0.771 1.00 0.00 C ATOM 160 O ASN A 11 -9.284 -0.407 0.923 1.00 0.00 O ATOM 161 CB ASN A 11 -10.856 -2.613 2.663 1.00 0.00 C ATOM 162 CG ASN A 11 -9.334 -2.776 2.688 1.00 0.00 C ATOM 163 OD1 ASN A 11 -8.595 -1.877 3.054 1.00 0.00 O ATOM 164 ND2 ASN A 11 -8.909 -3.968 2.279 1.00 0.00 N ATOM 0 H ASN A 11 -13.214 -2.098 1.879 1.00 0.00 H new ATOM 0 HA ASN A 11 -11.247 -0.499 2.609 1.00 0.00 H new ATOM 0 HB2 ASN A 11 -11.238 -2.577 3.683 1.00 0.00 H new ATOM 0 HB3 ASN A 11 -11.310 -3.480 2.183 1.00 0.00 H new ATOM 0 HD21 ASN A 11 -7.910 -4.174 2.259 1.00 0.00 H new ATOM 0 HD22 ASN A 11 -9.582 -4.676 1.986 1.00 0.00 H new ATOM 171 N PHE A 12 -10.561 -1.773 -0.350 1.00 0.00 N ATOM 172 CA PHE A 12 -9.707 -1.664 -1.521 1.00 0.00 C ATOM 173 C PHE A 12 -10.439 -0.967 -2.669 1.00 0.00 C ATOM 174 O PHE A 12 -10.095 0.156 -3.039 1.00 0.00 O ATOM 175 CB PHE A 12 -9.352 -3.089 -1.948 1.00 0.00 C ATOM 176 CG PHE A 12 -8.054 -3.617 -1.336 1.00 0.00 C ATOM 177 CD1 PHE A 12 -6.887 -2.945 -1.532 1.00 0.00 C ATOM 178 CD2 PHE A 12 -8.066 -4.758 -0.595 1.00 0.00 C ATOM 179 CE1 PHE A 12 -5.682 -3.437 -0.963 1.00 0.00 C ATOM 180 CE2 PHE A 12 -6.861 -5.248 -0.026 1.00 0.00 C ATOM 181 CZ PHE A 12 -5.694 -4.577 -0.222 1.00 0.00 C ATOM 0 H PHE A 12 -11.378 -2.372 -0.472 1.00 0.00 H new ATOM 0 HA PHE A 12 -8.820 -1.078 -1.283 1.00 0.00 H new ATOM 0 HB2 PHE A 12 -10.169 -3.755 -1.671 1.00 0.00 H new ATOM 0 HB3 PHE A 12 -9.269 -3.122 -3.034 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -6.877 -2.039 -2.119 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -8.992 -5.291 -0.440 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -4.755 -2.905 -1.119 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -6.871 -6.154 0.562 1.00 0.00 H new ATOM 0 HZ PHE A 12 -4.777 -4.950 0.211 1.00 0.00 H new ATOM 191 N GLY A 13 -11.435 -1.659 -3.202 1.00 0.00 N ATOM 192 CA GLY A 13 -12.216 -1.121 -4.302 1.00 0.00 C ATOM 193 C GLY A 13 -12.578 0.345 -4.052 1.00 0.00 C ATOM 194 O GLY A 13 -12.594 1.151 -4.981 1.00 0.00 O ATOM 0 H GLY A 13 -11.719 -2.588 -2.892 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -11.651 -1.207 -5.230 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -13.126 -1.708 -4.428 1.00 0.00 H new ATOM 198 N LYS A 14 -12.857 0.646 -2.792 1.00 0.00 N ATOM 199 CA LYS A 14 -13.217 2.000 -2.408 1.00 0.00 C ATOM 200 C LYS A 14 -11.944 2.835 -2.252 1.00 0.00 C ATOM 201 O LYS A 14 -11.875 3.964 -2.735 1.00 0.00 O ATOM 202 CB LYS A 14 -14.100 1.987 -1.159 1.00 0.00 C ATOM 203 CG LYS A 14 -14.801 3.333 -0.970 1.00 0.00 C ATOM 204 CD LYS A 14 -15.155 3.565 0.501 1.00 0.00 C ATOM 205 CE LYS A 14 -13.899 3.567 1.374 1.00 0.00 C ATOM 206 NZ LYS A 14 -13.886 4.751 2.261 1.00 0.00 N ATOM 0 H LYS A 14 -12.841 -0.025 -2.024 1.00 0.00 H new ATOM 0 HA LYS A 14 -13.816 2.471 -3.188 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -14.843 1.194 -1.243 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -13.493 1.763 -0.282 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -14.155 4.136 -1.323 1.00 0.00 H new ATOM 0 HG3 LYS A 14 -15.707 3.363 -1.575 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -15.677 4.516 0.607 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -15.838 2.786 0.842 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -13.864 2.657 1.972 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -13.010 3.568 0.743 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -13.027 4.737 2.847 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -13.898 5.617 1.685 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -14.724 4.733 2.876 1.00 0.00 H new ATOM 220 N ALA A 15 -10.968 2.247 -1.575 1.00 0.00 N ATOM 221 CA ALA A 15 -9.701 2.924 -1.349 1.00 0.00 C ATOM 222 C ALA A 15 -9.049 3.238 -2.696 1.00 0.00 C ATOM 223 O ALA A 15 -8.574 4.352 -2.916 1.00 0.00 O ATOM 224 CB ALA A 15 -8.811 2.056 -0.458 1.00 0.00 C ATOM 0 H ALA A 15 -11.029 1.310 -1.176 1.00 0.00 H new ATOM 0 HA ALA A 15 -9.858 3.870 -0.830 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -7.861 2.563 -0.288 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -9.308 1.886 0.497 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -8.629 1.099 -0.947 1.00 0.00 H new ATOM 230 N MET A 16 -9.046 2.238 -3.565 1.00 0.00 N ATOM 231 CA MET A 16 -8.460 2.393 -4.884 1.00 0.00 C ATOM 232 C MET A 16 -9.272 3.373 -5.734 1.00 0.00 C ATOM 233 O MET A 16 -8.708 4.139 -6.513 1.00 0.00 O ATOM 234 CB MET A 16 -8.406 1.033 -5.584 1.00 0.00 C ATOM 235 CG MET A 16 -8.242 1.200 -7.096 1.00 0.00 C ATOM 236 SD MET A 16 -9.586 0.395 -7.949 1.00 0.00 S ATOM 237 CE MET A 16 -10.975 1.140 -7.111 1.00 0.00 C ATOM 0 H MET A 16 -9.441 1.316 -3.380 1.00 0.00 H new ATOM 0 HA MET A 16 -7.452 2.791 -4.767 1.00 0.00 H new ATOM 0 HB2 MET A 16 -7.576 0.449 -5.187 1.00 0.00 H new ATOM 0 HB3 MET A 16 -9.318 0.475 -5.373 1.00 0.00 H new ATOM 0 HG2 MET A 16 -8.220 2.259 -7.353 1.00 0.00 H new ATOM 0 HG3 MET A 16 -7.291 0.775 -7.416 1.00 0.00 H new ATOM 0 HE1 MET A 16 -11.822 0.454 -7.130 1.00 0.00 H new ATOM 0 HE2 MET A 16 -10.704 1.354 -6.077 1.00 0.00 H new ATOM 0 HE3 MET A 16 -11.248 2.068 -7.614 1.00 0.00 H new ATOM 247 N ASP A 17 -10.583 3.315 -5.554 1.00 0.00 N ATOM 248 CA ASP A 17 -11.479 4.188 -6.294 1.00 0.00 C ATOM 249 C ASP A 17 -11.332 5.620 -5.776 1.00 0.00 C ATOM 250 O ASP A 17 -11.177 6.555 -6.562 1.00 0.00 O ATOM 251 CB ASP A 17 -12.938 3.766 -6.108 1.00 0.00 C ATOM 252 CG ASP A 17 -13.960 4.624 -6.854 1.00 0.00 C ATOM 253 OD1 ASP A 17 -14.165 5.776 -6.413 1.00 0.00 O ATOM 254 OD2 ASP A 17 -14.513 4.110 -7.851 1.00 0.00 O ATOM 0 H ASP A 17 -11.047 2.677 -4.907 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.217 4.123 -7.350 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -13.046 2.732 -6.436 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -13.174 3.789 -5.044 1.00 0.00 H new ATOM 259 N GLN A 18 -11.385 5.748 -4.459 1.00 0.00 N ATOM 260 CA GLN A 18 -11.260 7.050 -3.827 1.00 0.00 C ATOM 261 C GLN A 18 -9.846 7.602 -4.024 1.00 0.00 C ATOM 262 O GLN A 18 -9.658 8.813 -4.126 1.00 0.00 O ATOM 263 CB GLN A 18 -11.617 6.976 -2.342 1.00 0.00 C ATOM 264 CG GLN A 18 -13.091 7.319 -2.113 1.00 0.00 C ATOM 265 CD GLN A 18 -13.379 7.546 -0.629 1.00 0.00 C ATOM 266 OE1 GLN A 18 -12.490 7.779 0.174 1.00 0.00 O ATOM 267 NE2 GLN A 18 -14.667 7.463 -0.308 1.00 0.00 N ATOM 0 H GLN A 18 -11.513 4.970 -3.811 1.00 0.00 H new ATOM 0 HA GLN A 18 -11.965 7.732 -4.302 1.00 0.00 H new ATOM 0 HB2 GLN A 18 -11.410 5.975 -1.964 1.00 0.00 H new ATOM 0 HB3 GLN A 18 -10.988 7.665 -1.779 1.00 0.00 H new ATOM 0 HG2 GLN A 18 -13.351 8.214 -2.678 1.00 0.00 H new ATOM 0 HG3 GLN A 18 -13.718 6.511 -2.489 1.00 0.00 H new ATOM 0 HE21 GLN A 18 -15.361 7.265 -1.029 1.00 0.00 H new ATOM 0 HE22 GLN A 18 -14.961 7.597 0.659 1.00 0.00 H new ATOM 276 N CYS A 19 -8.890 6.686 -4.072 1.00 0.00 N ATOM 277 CA CYS A 19 -7.500 7.065 -4.255 1.00 0.00 C ATOM 278 C CYS A 19 -7.355 7.716 -5.633 1.00 0.00 C ATOM 279 O CYS A 19 -6.628 8.694 -5.788 1.00 0.00 O ATOM 280 CB CYS A 19 -6.560 5.869 -4.088 1.00 0.00 C ATOM 281 SG CYS A 19 -5.859 5.673 -2.408 1.00 0.00 S ATOM 0 H CYS A 19 -9.051 5.682 -3.987 1.00 0.00 H new ATOM 0 HA CYS A 19 -7.212 7.780 -3.484 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -7.102 4.960 -4.349 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -5.740 5.967 -4.800 1.00 0.00 H new ATOM 286 N LYS A 20 -8.060 7.143 -6.598 1.00 0.00 N ATOM 287 CA LYS A 20 -8.022 7.655 -7.958 1.00 0.00 C ATOM 288 C LYS A 20 -8.633 9.057 -7.988 1.00 0.00 C ATOM 289 O LYS A 20 -8.610 9.725 -9.020 1.00 0.00 O ATOM 290 CB LYS A 20 -8.690 6.672 -8.919 1.00 0.00 C ATOM 291 CG LYS A 20 -7.798 6.396 -10.132 1.00 0.00 C ATOM 292 CD LYS A 20 -8.561 5.629 -11.212 1.00 0.00 C ATOM 293 CE LYS A 20 -9.478 6.562 -12.003 1.00 0.00 C ATOM 294 NZ LYS A 20 -10.318 5.789 -12.946 1.00 0.00 N ATOM 0 H LYS A 20 -8.661 6.329 -6.465 1.00 0.00 H new ATOM 0 HA LYS A 20 -6.992 7.749 -8.301 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -8.902 5.738 -8.399 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -9.646 7.076 -9.251 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -7.432 7.338 -10.540 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -6.925 5.822 -9.822 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -7.855 5.148 -11.889 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -9.152 4.837 -10.752 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -10.113 7.124 -11.318 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -8.880 7.289 -12.552 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -10.934 6.439 -13.475 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.708 5.272 -13.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -10.903 5.112 -12.415 1.00 0.00 H new ATOM 308 N ASP A 21 -9.164 9.461 -6.843 1.00 0.00 N ATOM 309 CA ASP A 21 -9.780 10.772 -6.726 1.00 0.00 C ATOM 310 C ASP A 21 -8.959 11.632 -5.764 1.00 0.00 C ATOM 311 O ASP A 21 -8.313 12.593 -6.182 1.00 0.00 O ATOM 312 CB ASP A 21 -11.201 10.665 -6.170 1.00 0.00 C ATOM 313 CG ASP A 21 -12.277 11.362 -7.004 1.00 0.00 C ATOM 314 OD1 ASP A 21 -11.990 12.483 -7.479 1.00 0.00 O ATOM 315 OD2 ASP A 21 -13.362 10.759 -7.149 1.00 0.00 O ATOM 0 H ASP A 21 -9.180 8.904 -5.989 1.00 0.00 H new ATOM 0 HA ASP A 21 -9.815 11.219 -7.720 1.00 0.00 H new ATOM 0 HB2 ASP A 21 -11.460 9.610 -6.078 1.00 0.00 H new ATOM 0 HB3 ASP A 21 -11.214 11.085 -5.164 1.00 0.00 H new ATOM 320 N GLU A 22 -9.010 11.258 -4.495 1.00 0.00 N ATOM 321 CA GLU A 22 -8.279 11.983 -3.470 1.00 0.00 C ATOM 322 C GLU A 22 -6.837 12.226 -3.919 1.00 0.00 C ATOM 323 O GLU A 22 -6.318 13.332 -3.782 1.00 0.00 O ATOM 324 CB GLU A 22 -8.321 11.237 -2.134 1.00 0.00 C ATOM 325 CG GLU A 22 -7.866 9.787 -2.303 1.00 0.00 C ATOM 326 CD GLU A 22 -8.774 8.834 -1.521 1.00 0.00 C ATOM 327 OE1 GLU A 22 -9.587 9.350 -0.725 1.00 0.00 O ATOM 328 OE2 GLU A 22 -8.633 7.612 -1.739 1.00 0.00 O ATOM 0 H GLU A 22 -9.547 10.461 -4.152 1.00 0.00 H new ATOM 0 HA GLU A 22 -8.760 12.950 -3.322 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -7.680 11.741 -1.411 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -9.334 11.260 -1.732 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -7.876 9.520 -3.360 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -6.838 9.682 -1.957 1.00 0.00 H new ATOM 335 N LEU A 23 -6.229 11.173 -4.446 1.00 0.00 N ATOM 336 CA LEU A 23 -4.857 11.256 -4.915 1.00 0.00 C ATOM 337 C LEU A 23 -4.853 11.446 -6.434 1.00 0.00 C ATOM 338 O LEU A 23 -3.813 11.734 -7.025 1.00 0.00 O ATOM 339 CB LEU A 23 -4.054 10.043 -4.445 1.00 0.00 C ATOM 340 CG LEU A 23 -3.936 9.863 -2.930 1.00 0.00 C ATOM 341 CD1 LEU A 23 -3.377 8.482 -2.584 1.00 0.00 C ATOM 342 CD2 LEU A 23 -3.111 10.989 -2.307 1.00 0.00 C ATOM 0 H LEU A 23 -6.663 10.257 -4.558 1.00 0.00 H new ATOM 0 HA LEU A 23 -4.359 12.124 -4.483 1.00 0.00 H new ATOM 0 HB2 LEU A 23 -4.510 9.146 -4.863 1.00 0.00 H new ATOM 0 HB3 LEU A 23 -3.049 10.113 -4.862 1.00 0.00 H new ATOM 0 HG LEU A 23 -4.936 9.922 -2.500 1.00 0.00 H new ATOM 0 HD11 LEU A 23 -3.303 8.380 -1.501 1.00 0.00 H new ATOM 0 HD12 LEU A 23 -4.041 7.712 -2.977 1.00 0.00 H new ATOM 0 HD13 LEU A 23 -2.388 8.368 -3.027 1.00 0.00 H new ATOM 0 HD21 LEU A 23 -3.043 10.837 -1.230 1.00 0.00 H new ATOM 0 HD22 LEU A 23 -2.110 10.988 -2.738 1.00 0.00 H new ATOM 0 HD23 LEU A 23 -3.591 11.946 -2.508 1.00 0.00 H new ATOM 354 N SER A 24 -6.028 11.276 -7.023 1.00 0.00 N ATOM 355 CA SER A 24 -6.172 11.425 -8.462 1.00 0.00 C ATOM 356 C SER A 24 -5.110 10.593 -9.182 1.00 0.00 C ATOM 357 O SER A 24 -4.825 10.827 -10.356 1.00 0.00 O ATOM 358 CB SER A 24 -6.069 12.894 -8.876 1.00 0.00 C ATOM 359 OG SER A 24 -7.322 13.565 -8.782 1.00 0.00 O ATOM 0 H SER A 24 -6.889 11.037 -6.530 1.00 0.00 H new ATOM 0 HA SER A 24 -7.160 11.065 -8.747 1.00 0.00 H new ATOM 0 HB2 SER A 24 -5.339 13.399 -8.243 1.00 0.00 H new ATOM 0 HB3 SER A 24 -5.700 12.957 -9.900 1.00 0.00 H new ATOM 0 HG SER A 24 -7.763 13.319 -7.942 1.00 0.00 H new ATOM 365 N LEU A 25 -4.553 9.639 -8.451 1.00 0.00 N ATOM 366 CA LEU A 25 -3.528 8.771 -9.006 1.00 0.00 C ATOM 367 C LEU A 25 -4.194 7.650 -9.805 1.00 0.00 C ATOM 368 O LEU A 25 -5.408 7.469 -9.734 1.00 0.00 O ATOM 369 CB LEU A 25 -2.595 8.270 -7.902 1.00 0.00 C ATOM 370 CG LEU A 25 -3.078 7.045 -7.122 1.00 0.00 C ATOM 371 CD1 LEU A 25 -4.595 7.082 -6.926 1.00 0.00 C ATOM 372 CD2 LEU A 25 -2.618 5.750 -7.793 1.00 0.00 C ATOM 0 H LEU A 25 -4.792 9.448 -7.478 1.00 0.00 H new ATOM 0 HA LEU A 25 -2.894 9.324 -9.699 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -1.629 8.034 -8.349 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -2.430 9.084 -7.196 1.00 0.00 H new ATOM 0 HG LEU A 25 -2.625 7.072 -6.131 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -4.912 6.200 -6.369 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -4.868 7.979 -6.371 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -5.087 7.093 -7.898 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -2.975 4.896 -7.218 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -3.022 5.701 -8.804 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -1.529 5.729 -7.836 1.00 0.00 H new ATOM 384 N PRO A 26 -3.348 6.908 -10.568 1.00 0.00 N ATOM 385 CA PRO A 26 -3.842 5.809 -11.381 1.00 0.00 C ATOM 386 C PRO A 26 -4.181 4.594 -10.513 1.00 0.00 C ATOM 387 O PRO A 26 -3.317 4.066 -9.814 1.00 0.00 O ATOM 388 CB PRO A 26 -2.734 5.532 -12.383 1.00 0.00 C ATOM 389 CG PRO A 26 -1.480 6.166 -11.805 1.00 0.00 C ATOM 390 CD PRO A 26 -1.903 7.094 -10.678 1.00 0.00 C ATOM 0 HA PRO A 26 -4.773 6.050 -11.894 1.00 0.00 H new ATOM 0 HB2 PRO A 26 -2.598 4.460 -12.528 1.00 0.00 H new ATOM 0 HB3 PRO A 26 -2.973 5.958 -13.357 1.00 0.00 H new ATOM 0 HG2 PRO A 26 -0.801 5.399 -11.433 1.00 0.00 H new ATOM 0 HG3 PRO A 26 -0.943 6.720 -12.575 1.00 0.00 H new ATOM 0 HD2 PRO A 26 -1.399 6.840 -9.746 1.00 0.00 H new ATOM 0 HD3 PRO A 26 -1.653 8.131 -10.904 1.00 0.00 H new ATOM 398 N ASP A 27 -5.439 4.187 -10.588 1.00 0.00 N ATOM 399 CA ASP A 27 -5.902 3.046 -9.817 1.00 0.00 C ATOM 400 C ASP A 27 -5.240 1.773 -10.351 1.00 0.00 C ATOM 401 O ASP A 27 -5.496 0.678 -9.850 1.00 0.00 O ATOM 402 CB ASP A 27 -7.418 2.875 -9.941 1.00 0.00 C ATOM 403 CG ASP A 27 -7.920 2.546 -11.348 1.00 0.00 C ATOM 404 OD1 ASP A 27 -7.120 2.725 -12.292 1.00 0.00 O ATOM 405 OD2 ASP A 27 -9.091 2.123 -11.449 1.00 0.00 O ATOM 0 H ASP A 27 -6.152 4.626 -11.170 1.00 0.00 H new ATOM 0 HA ASP A 27 -5.642 3.218 -8.773 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -7.735 2.082 -9.264 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -7.900 3.793 -9.605 1.00 0.00 H new ATOM 410 N SER A 28 -4.402 1.959 -11.361 1.00 0.00 N ATOM 411 CA SER A 28 -3.701 0.841 -11.967 1.00 0.00 C ATOM 412 C SER A 28 -2.466 0.484 -11.136 1.00 0.00 C ATOM 413 O SER A 28 -2.156 -0.692 -10.952 1.00 0.00 O ATOM 414 CB SER A 28 -3.296 1.160 -13.407 1.00 0.00 C ATOM 415 OG SER A 28 -2.583 2.390 -13.501 1.00 0.00 O ATOM 0 H SER A 28 -4.193 2.868 -11.774 1.00 0.00 H new ATOM 0 HA SER A 28 -4.377 -0.014 -11.988 1.00 0.00 H new ATOM 0 HB2 SER A 28 -2.677 0.352 -13.797 1.00 0.00 H new ATOM 0 HB3 SER A 28 -4.188 1.209 -14.032 1.00 0.00 H new ATOM 0 HG SER A 28 -2.341 2.557 -14.436 1.00 0.00 H new ATOM 421 N VAL A 29 -1.796 1.520 -10.656 1.00 0.00 N ATOM 422 CA VAL A 29 -0.602 1.330 -9.849 1.00 0.00 C ATOM 423 C VAL A 29 -0.982 0.630 -8.543 1.00 0.00 C ATOM 424 O VAL A 29 -0.236 -0.217 -8.050 1.00 0.00 O ATOM 425 CB VAL A 29 0.097 2.673 -9.626 1.00 0.00 C ATOM 426 CG1 VAL A 29 0.383 3.371 -10.957 1.00 0.00 C ATOM 427 CG2 VAL A 29 -0.725 3.573 -8.702 1.00 0.00 C ATOM 0 H VAL A 29 -2.056 2.494 -10.810 1.00 0.00 H new ATOM 0 HA VAL A 29 0.112 0.689 -10.366 1.00 0.00 H new ATOM 0 HB VAL A 29 1.052 2.475 -9.139 1.00 0.00 H new ATOM 0 HG11 VAL A 29 0.880 4.323 -10.769 1.00 0.00 H new ATOM 0 HG12 VAL A 29 1.028 2.739 -11.568 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -0.555 3.549 -11.483 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -0.205 4.521 -8.560 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -1.702 3.758 -9.149 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -0.854 3.083 -7.737 1.00 0.00 H new ATOM 437 N VAL A 30 -2.138 1.007 -8.020 1.00 0.00 N ATOM 438 CA VAL A 30 -2.625 0.426 -6.781 1.00 0.00 C ATOM 439 C VAL A 30 -3.115 -0.999 -7.049 1.00 0.00 C ATOM 440 O VAL A 30 -3.023 -1.864 -6.180 1.00 0.00 O ATOM 441 CB VAL A 30 -3.703 1.325 -6.168 1.00 0.00 C ATOM 442 CG1 VAL A 30 -4.990 1.275 -6.993 1.00 0.00 C ATOM 443 CG2 VAL A 30 -3.970 0.943 -4.710 1.00 0.00 C ATOM 0 H VAL A 30 -2.753 1.709 -8.432 1.00 0.00 H new ATOM 0 HA VAL A 30 -1.821 0.361 -6.048 1.00 0.00 H new ATOM 0 HB VAL A 30 -3.335 2.351 -6.183 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -5.740 1.922 -6.537 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -4.785 1.616 -8.008 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.363 0.251 -7.023 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -4.739 1.596 -4.298 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -4.308 -0.092 -4.661 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.053 1.052 -4.131 1.00 0.00 H new ATOM 453 N ALA A 31 -3.625 -1.197 -8.257 1.00 0.00 N ATOM 454 CA ALA A 31 -4.130 -2.502 -8.650 1.00 0.00 C ATOM 455 C ALA A 31 -2.964 -3.488 -8.741 1.00 0.00 C ATOM 456 O ALA A 31 -3.160 -4.698 -8.628 1.00 0.00 O ATOM 457 CB ALA A 31 -4.894 -2.376 -9.969 1.00 0.00 C ATOM 0 H ALA A 31 -3.699 -0.476 -8.975 1.00 0.00 H new ATOM 0 HA ALA A 31 -4.827 -2.886 -7.905 1.00 0.00 H new ATOM 0 HB1 ALA A 31 -5.273 -3.354 -10.265 1.00 0.00 H new ATOM 0 HB2 ALA A 31 -5.729 -1.687 -9.842 1.00 0.00 H new ATOM 0 HB3 ALA A 31 -4.225 -1.997 -10.742 1.00 0.00 H new ATOM 463 N ASP A 32 -1.778 -2.935 -8.946 1.00 0.00 N ATOM 464 CA ASP A 32 -0.581 -3.752 -9.055 1.00 0.00 C ATOM 465 C ASP A 32 -0.353 -4.493 -7.735 1.00 0.00 C ATOM 466 O ASP A 32 0.210 -5.587 -7.723 1.00 0.00 O ATOM 467 CB ASP A 32 0.651 -2.888 -9.332 1.00 0.00 C ATOM 468 CG ASP A 32 1.890 -3.659 -9.791 1.00 0.00 C ATOM 469 OD1 ASP A 32 1.826 -4.907 -9.764 1.00 0.00 O ATOM 470 OD2 ASP A 32 2.876 -2.982 -10.160 1.00 0.00 O ATOM 0 H ASP A 32 -1.620 -1.932 -9.040 1.00 0.00 H new ATOM 0 HA ASP A 32 -0.723 -4.452 -9.878 1.00 0.00 H new ATOM 0 HB2 ASP A 32 0.396 -2.152 -10.094 1.00 0.00 H new ATOM 0 HB3 ASP A 32 0.900 -2.335 -8.426 1.00 0.00 H new ATOM 475 N LEU A 33 -0.800 -3.867 -6.657 1.00 0.00 N ATOM 476 CA LEU A 33 -0.651 -4.453 -5.335 1.00 0.00 C ATOM 477 C LEU A 33 -1.188 -5.884 -5.355 1.00 0.00 C ATOM 478 O LEU A 33 -0.518 -6.808 -4.896 1.00 0.00 O ATOM 479 CB LEU A 33 -1.308 -3.563 -4.278 1.00 0.00 C ATOM 480 CG LEU A 33 -1.516 -4.199 -2.902 1.00 0.00 C ATOM 481 CD1 LEU A 33 -0.191 -4.319 -2.148 1.00 0.00 C ATOM 482 CD2 LEU A 33 -2.567 -3.432 -2.097 1.00 0.00 C ATOM 0 H LEU A 33 -1.266 -2.960 -6.671 1.00 0.00 H new ATOM 0 HA LEU A 33 0.402 -4.511 -5.059 1.00 0.00 H new ATOM 0 HB2 LEU A 33 -0.698 -2.668 -4.154 1.00 0.00 H new ATOM 0 HB3 LEU A 33 -2.277 -3.238 -4.656 1.00 0.00 H new ATOM 0 HG LEU A 33 -1.896 -5.210 -3.047 1.00 0.00 H new ATOM 0 HD11 LEU A 33 -0.367 -4.774 -1.173 1.00 0.00 H new ATOM 0 HD12 LEU A 33 0.498 -4.941 -2.720 1.00 0.00 H new ATOM 0 HD13 LEU A 33 0.242 -3.328 -2.013 1.00 0.00 H new ATOM 0 HD21 LEU A 33 -2.696 -3.905 -1.123 1.00 0.00 H new ATOM 0 HD22 LEU A 33 -2.239 -2.401 -1.960 1.00 0.00 H new ATOM 0 HD23 LEU A 33 -3.516 -3.443 -2.634 1.00 0.00 H new ATOM 494 N TYR A 34 -2.391 -6.025 -5.891 1.00 0.00 N ATOM 495 CA TYR A 34 -3.025 -7.329 -5.975 1.00 0.00 C ATOM 496 C TYR A 34 -2.257 -8.252 -6.923 1.00 0.00 C ATOM 497 O TYR A 34 -2.350 -9.475 -6.817 1.00 0.00 O ATOM 498 CB TYR A 34 -4.423 -7.083 -6.544 1.00 0.00 C ATOM 499 CG TYR A 34 -5.152 -5.894 -5.914 1.00 0.00 C ATOM 500 CD1 TYR A 34 -5.468 -5.913 -4.569 1.00 0.00 C ATOM 501 CD2 TYR A 34 -5.494 -4.805 -6.687 1.00 0.00 C ATOM 502 CE1 TYR A 34 -6.153 -4.794 -3.976 1.00 0.00 C ATOM 503 CE2 TYR A 34 -6.180 -3.686 -6.094 1.00 0.00 C ATOM 504 CZ TYR A 34 -6.475 -3.736 -4.767 1.00 0.00 C ATOM 505 OH TYR A 34 -7.123 -2.679 -4.207 1.00 0.00 O ATOM 0 H TYR A 34 -2.944 -5.257 -6.272 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.051 -7.807 -4.996 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -4.343 -6.919 -7.619 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -5.025 -7.981 -6.403 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -5.201 -6.766 -3.963 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -5.247 -4.791 -7.738 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -6.406 -4.795 -2.926 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -6.454 -2.827 -6.689 1.00 0.00 H new ATOM 0 HH TYR A 34 -7.391 -2.907 -3.292 1.00 0.00 H new ATOM 515 N ASN A 35 -1.515 -7.632 -7.829 1.00 0.00 N ATOM 516 CA ASN A 35 -0.730 -8.382 -8.795 1.00 0.00 C ATOM 517 C ASN A 35 0.609 -8.769 -8.167 1.00 0.00 C ATOM 518 O ASN A 35 0.847 -9.940 -7.873 1.00 0.00 O ATOM 519 CB ASN A 35 -0.444 -7.544 -10.041 1.00 0.00 C ATOM 520 CG ASN A 35 -0.762 -8.328 -11.316 1.00 0.00 C ATOM 521 OD1 ASN A 35 -1.871 -8.785 -11.534 1.00 0.00 O ATOM 522 ND2 ASN A 35 0.272 -8.461 -12.141 1.00 0.00 N ATOM 0 H ASN A 35 -1.441 -6.618 -7.914 1.00 0.00 H new ATOM 0 HA ASN A 35 -1.300 -9.267 -9.079 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -1.039 -6.631 -10.014 1.00 0.00 H new ATOM 0 HB3 ASN A 35 0.603 -7.242 -10.048 1.00 0.00 H new ATOM 0 HD21 ASN A 35 0.163 -8.971 -13.018 1.00 0.00 H new ATOM 0 HD22 ASN A 35 1.175 -8.053 -11.897 1.00 0.00 H new ATOM 529 N PHE A 36 1.452 -7.763 -7.980 1.00 0.00 N ATOM 530 CA PHE A 36 2.762 -7.983 -7.392 1.00 0.00 C ATOM 531 C PHE A 36 3.649 -6.746 -7.549 1.00 0.00 C ATOM 532 O PHE A 36 4.613 -6.763 -8.312 1.00 0.00 O ATOM 533 CB PHE A 36 3.399 -9.152 -8.145 1.00 0.00 C ATOM 534 CG PHE A 36 3.341 -10.483 -7.394 1.00 0.00 C ATOM 535 CD1 PHE A 36 3.620 -10.526 -6.064 1.00 0.00 C ATOM 536 CD2 PHE A 36 3.008 -11.624 -8.057 1.00 0.00 C ATOM 537 CE1 PHE A 36 3.566 -11.762 -5.367 1.00 0.00 C ATOM 538 CE2 PHE A 36 2.953 -12.859 -7.360 1.00 0.00 C ATOM 539 CZ PHE A 36 3.233 -12.903 -6.029 1.00 0.00 C ATOM 0 H PHE A 36 1.252 -6.793 -8.226 1.00 0.00 H new ATOM 0 HA PHE A 36 2.661 -8.191 -6.327 1.00 0.00 H new ATOM 0 HB2 PHE A 36 2.898 -9.267 -9.106 1.00 0.00 H new ATOM 0 HB3 PHE A 36 4.441 -8.911 -8.355 1.00 0.00 H new ATOM 0 HD1 PHE A 36 3.883 -9.620 -5.538 1.00 0.00 H new ATOM 0 HD2 PHE A 36 2.786 -11.590 -9.113 1.00 0.00 H new ATOM 0 HE1 PHE A 36 3.789 -11.796 -4.311 1.00 0.00 H new ATOM 0 HE2 PHE A 36 2.689 -13.764 -7.886 1.00 0.00 H new ATOM 0 HZ PHE A 36 3.191 -13.843 -5.499 1.00 0.00 H new ATOM 549 N TRP A 37 3.289 -5.703 -6.815 1.00 0.00 N ATOM 550 CA TRP A 37 4.040 -4.460 -6.863 1.00 0.00 C ATOM 551 C TRP A 37 5.108 -4.509 -5.768 1.00 0.00 C ATOM 552 O TRP A 37 5.778 -3.512 -5.504 1.00 0.00 O ATOM 553 CB TRP A 37 3.110 -3.252 -6.737 1.00 0.00 C ATOM 554 CG TRP A 37 2.576 -3.023 -5.321 1.00 0.00 C ATOM 555 CD1 TRP A 37 2.784 -3.774 -4.230 1.00 0.00 C ATOM 556 CD2 TRP A 37 1.732 -1.937 -4.886 1.00 0.00 C ATOM 557 NE1 TRP A 37 2.139 -3.250 -3.127 1.00 0.00 N ATOM 558 CE2 TRP A 37 1.479 -2.098 -3.538 1.00 0.00 C ATOM 559 CE3 TRP A 37 1.200 -0.851 -5.606 1.00 0.00 C ATOM 560 CZ2 TRP A 37 0.689 -1.214 -2.796 1.00 0.00 C ATOM 561 CZ3 TRP A 37 0.413 0.023 -4.849 1.00 0.00 C ATOM 562 CH2 TRP A 37 0.148 -0.126 -3.492 1.00 0.00 C ATOM 0 H TRP A 37 2.488 -5.693 -6.184 1.00 0.00 H new ATOM 0 HA TRP A 37 4.535 -4.347 -7.827 1.00 0.00 H new ATOM 0 HB2 TRP A 37 3.645 -2.359 -7.061 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.267 -3.383 -7.415 1.00 0.00 H new ATOM 0 HD1 TRP A 37 3.380 -4.674 -4.216 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.146 -3.637 -2.183 1.00 0.00 H new ATOM 0 HE3 TRP A 37 1.385 -0.704 -6.660 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 0.506 -1.363 -1.742 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 -0.020 0.874 -5.354 1.00 0.00 H new ATOM 0 HH2 TRP A 37 -0.472 0.594 -2.978 1.00 0.00 H new ATOM 573 N LYS A 38 5.233 -5.680 -5.161 1.00 0.00 N ATOM 574 CA LYS A 38 6.208 -5.872 -4.102 1.00 0.00 C ATOM 575 C LYS A 38 7.534 -5.224 -4.508 1.00 0.00 C ATOM 576 O LYS A 38 8.039 -4.347 -3.811 1.00 0.00 O ATOM 577 CB LYS A 38 6.332 -7.356 -3.750 1.00 0.00 C ATOM 578 CG LYS A 38 5.073 -7.857 -3.037 1.00 0.00 C ATOM 579 CD LYS A 38 4.905 -7.175 -1.678 1.00 0.00 C ATOM 580 CE LYS A 38 3.574 -6.424 -1.604 1.00 0.00 C ATOM 581 NZ LYS A 38 2.440 -7.376 -1.647 1.00 0.00 N ATOM 0 H LYS A 38 4.675 -6.505 -5.383 1.00 0.00 H new ATOM 0 HA LYS A 38 5.878 -5.377 -3.189 1.00 0.00 H new ATOM 0 HB2 LYS A 38 6.496 -7.936 -4.658 1.00 0.00 H new ATOM 0 HB3 LYS A 38 7.202 -7.511 -3.112 1.00 0.00 H new ATOM 0 HG2 LYS A 38 4.198 -7.662 -3.657 1.00 0.00 H new ATOM 0 HG3 LYS A 38 5.133 -8.937 -2.901 1.00 0.00 H new ATOM 0 HD2 LYS A 38 4.951 -7.921 -0.884 1.00 0.00 H new ATOM 0 HD3 LYS A 38 5.729 -6.481 -1.511 1.00 0.00 H new ATOM 0 HE2 LYS A 38 3.530 -5.838 -0.686 1.00 0.00 H new ATOM 0 HE3 LYS A 38 3.499 -5.722 -2.434 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 1.580 -6.908 -1.297 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 2.288 -7.691 -2.626 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 2.655 -8.199 -1.048 1.00 0.00 H new ATOM 595 N ASP A 39 8.056 -5.682 -5.636 1.00 0.00 N ATOM 596 CA ASP A 39 9.312 -5.159 -6.145 1.00 0.00 C ATOM 597 C ASP A 39 9.117 -3.704 -6.573 1.00 0.00 C ATOM 598 O ASP A 39 10.030 -2.888 -6.453 1.00 0.00 O ATOM 599 CB ASP A 39 9.786 -5.951 -7.364 1.00 0.00 C ATOM 600 CG ASP A 39 10.535 -5.131 -8.418 1.00 0.00 C ATOM 601 OD1 ASP A 39 11.417 -4.348 -8.006 1.00 0.00 O ATOM 602 OD2 ASP A 39 10.208 -5.306 -9.612 1.00 0.00 O ATOM 0 H ASP A 39 7.632 -6.409 -6.212 1.00 0.00 H new ATOM 0 HA ASP A 39 10.056 -5.239 -5.352 1.00 0.00 H new ATOM 0 HB2 ASP A 39 10.436 -6.758 -7.024 1.00 0.00 H new ATOM 0 HB3 ASP A 39 8.920 -6.416 -7.835 1.00 0.00 H new ATOM 607 N ASP A 40 7.920 -3.420 -7.066 1.00 0.00 N ATOM 608 CA ASP A 40 7.592 -2.077 -7.513 1.00 0.00 C ATOM 609 C ASP A 40 7.500 -1.149 -6.300 1.00 0.00 C ATOM 610 O ASP A 40 6.444 -1.037 -5.678 1.00 0.00 O ATOM 611 CB ASP A 40 6.242 -2.050 -8.232 1.00 0.00 C ATOM 612 CG ASP A 40 5.665 -0.654 -8.473 1.00 0.00 C ATOM 613 OD1 ASP A 40 6.453 0.311 -8.366 1.00 0.00 O ATOM 614 OD2 ASP A 40 4.451 -0.582 -8.758 1.00 0.00 O ATOM 0 H ASP A 40 7.165 -4.098 -7.166 1.00 0.00 H new ATOM 0 HA ASP A 40 8.373 -1.750 -8.200 1.00 0.00 H new ATOM 0 HB2 ASP A 40 6.349 -2.553 -9.193 1.00 0.00 H new ATOM 0 HB3 ASP A 40 5.525 -2.627 -7.648 1.00 0.00 H new ATOM 619 N TYR A 41 8.619 -0.507 -6.000 1.00 0.00 N ATOM 620 CA TYR A 41 8.677 0.409 -4.872 1.00 0.00 C ATOM 621 C TYR A 41 8.515 1.858 -5.335 1.00 0.00 C ATOM 622 O TYR A 41 8.779 2.179 -6.492 1.00 0.00 O ATOM 623 CB TYR A 41 10.068 0.235 -4.260 1.00 0.00 C ATOM 624 CG TYR A 41 10.445 1.321 -3.251 1.00 0.00 C ATOM 625 CD1 TYR A 41 9.581 1.637 -2.222 1.00 0.00 C ATOM 626 CD2 TYR A 41 11.649 1.986 -3.370 1.00 0.00 C ATOM 627 CE1 TYR A 41 9.935 2.660 -1.273 1.00 0.00 C ATOM 628 CE2 TYR A 41 12.003 3.008 -2.420 1.00 0.00 C ATOM 629 CZ TYR A 41 11.128 3.295 -1.419 1.00 0.00 C ATOM 630 OH TYR A 41 11.463 4.262 -0.522 1.00 0.00 O ATOM 0 H TYR A 41 9.493 -0.602 -6.518 1.00 0.00 H new ATOM 0 HA TYR A 41 7.878 0.196 -4.162 1.00 0.00 H new ATOM 0 HB2 TYR A 41 10.118 -0.736 -3.768 1.00 0.00 H new ATOM 0 HB3 TYR A 41 10.807 0.225 -5.061 1.00 0.00 H new ATOM 0 HD1 TYR A 41 8.639 1.117 -2.129 1.00 0.00 H new ATOM 0 HD2 TYR A 41 12.325 1.740 -4.175 1.00 0.00 H new ATOM 0 HE1 TYR A 41 9.268 2.917 -0.463 1.00 0.00 H new ATOM 0 HE2 TYR A 41 12.942 3.535 -2.500 1.00 0.00 H new ATOM 0 HH TYR A 41 11.887 3.850 0.260 1.00 0.00 H new ATOM 640 N VAL A 42 8.080 2.696 -4.404 1.00 0.00 N ATOM 641 CA VAL A 42 7.878 4.105 -4.702 1.00 0.00 C ATOM 642 C VAL A 42 9.014 4.600 -5.599 1.00 0.00 C ATOM 643 O VAL A 42 8.821 5.508 -6.407 1.00 0.00 O ATOM 644 CB VAL A 42 7.755 4.901 -3.401 1.00 0.00 C ATOM 645 CG1 VAL A 42 7.909 6.401 -3.660 1.00 0.00 C ATOM 646 CG2 VAL A 42 6.430 4.599 -2.697 1.00 0.00 C ATOM 0 H VAL A 42 7.862 2.427 -3.445 1.00 0.00 H new ATOM 0 HA VAL A 42 6.946 4.251 -5.248 1.00 0.00 H new ATOM 0 HB VAL A 42 8.564 4.590 -2.740 1.00 0.00 H new ATOM 0 HG11 VAL A 42 7.817 6.944 -2.719 1.00 0.00 H new ATOM 0 HG12 VAL A 42 8.888 6.596 -4.098 1.00 0.00 H new ATOM 0 HG13 VAL A 42 7.131 6.733 -4.348 1.00 0.00 H new ATOM 0 HG21 VAL A 42 6.368 5.177 -1.775 1.00 0.00 H new ATOM 0 HG22 VAL A 42 5.601 4.868 -3.351 1.00 0.00 H new ATOM 0 HG23 VAL A 42 6.377 3.536 -2.463 1.00 0.00 H new ATOM 656 N MET A 43 10.173 3.980 -5.430 1.00 0.00 N ATOM 657 CA MET A 43 11.339 4.347 -6.214 1.00 0.00 C ATOM 658 C MET A 43 10.953 4.636 -7.667 1.00 0.00 C ATOM 659 O MET A 43 11.632 5.400 -8.351 1.00 0.00 O ATOM 660 CB MET A 43 12.360 3.208 -6.175 1.00 0.00 C ATOM 661 CG MET A 43 13.295 3.267 -7.385 1.00 0.00 C ATOM 662 SD MET A 43 12.620 2.301 -8.727 1.00 0.00 S ATOM 663 CE MET A 43 13.522 3.005 -10.098 1.00 0.00 C ATOM 0 H MET A 43 10.329 3.226 -4.761 1.00 0.00 H new ATOM 0 HA MET A 43 11.772 5.250 -5.785 1.00 0.00 H new ATOM 0 HB2 MET A 43 12.944 3.270 -5.257 1.00 0.00 H new ATOM 0 HB3 MET A 43 11.841 2.250 -6.159 1.00 0.00 H new ATOM 0 HG2 MET A 43 13.428 4.301 -7.702 1.00 0.00 H new ATOM 0 HG3 MET A 43 14.280 2.888 -7.113 1.00 0.00 H new ATOM 0 HE1 MET A 43 13.220 2.513 -11.023 1.00 0.00 H new ATOM 0 HE2 MET A 43 13.306 4.071 -10.167 1.00 0.00 H new ATOM 0 HE3 MET A 43 14.591 2.861 -9.942 1.00 0.00 H new ATOM 673 N THR A 44 9.865 4.012 -8.093 1.00 0.00 N ATOM 674 CA THR A 44 9.382 4.193 -9.452 1.00 0.00 C ATOM 675 C THR A 44 8.080 4.997 -9.449 1.00 0.00 C ATOM 676 O THR A 44 7.962 5.994 -10.160 1.00 0.00 O ATOM 677 CB THR A 44 9.242 2.811 -10.091 1.00 0.00 C ATOM 678 OG1 THR A 44 10.542 2.534 -10.606 1.00 0.00 O ATOM 679 CG2 THR A 44 8.347 2.829 -11.333 1.00 0.00 C ATOM 0 H THR A 44 9.304 3.380 -7.521 1.00 0.00 H new ATOM 0 HA THR A 44 10.085 4.773 -10.050 1.00 0.00 H new ATOM 0 HB THR A 44 8.836 2.112 -9.360 1.00 0.00 H new ATOM 0 HG1 THR A 44 11.085 2.107 -9.911 1.00 0.00 H new ATOM 0 HG21 THR A 44 8.281 1.823 -11.748 1.00 0.00 H new ATOM 0 HG22 THR A 44 7.350 3.175 -11.058 1.00 0.00 H new ATOM 0 HG23 THR A 44 8.772 3.502 -12.078 1.00 0.00 H new ATOM 687 N ASP A 45 7.136 4.532 -8.645 1.00 0.00 N ATOM 688 CA ASP A 45 5.847 5.195 -8.543 1.00 0.00 C ATOM 689 C ASP A 45 5.460 5.324 -7.067 1.00 0.00 C ATOM 690 O ASP A 45 5.077 4.341 -6.434 1.00 0.00 O ATOM 691 CB ASP A 45 4.756 4.388 -9.249 1.00 0.00 C ATOM 692 CG ASP A 45 3.470 5.163 -9.547 1.00 0.00 C ATOM 693 OD1 ASP A 45 3.500 5.966 -10.504 1.00 0.00 O ATOM 694 OD2 ASP A 45 2.485 4.934 -8.811 1.00 0.00 O ATOM 0 H ASP A 45 7.238 3.704 -8.058 1.00 0.00 H new ATOM 0 HA ASP A 45 5.933 6.174 -9.014 1.00 0.00 H new ATOM 0 HB2 ASP A 45 5.158 4.005 -10.187 1.00 0.00 H new ATOM 0 HB3 ASP A 45 4.507 3.524 -8.633 1.00 0.00 H new ATOM 699 N ARG A 46 5.575 6.544 -6.563 1.00 0.00 N ATOM 700 CA ARG A 46 5.243 6.813 -5.175 1.00 0.00 C ATOM 701 C ARG A 46 3.727 6.748 -4.970 1.00 0.00 C ATOM 702 O ARG A 46 3.258 6.340 -3.908 1.00 0.00 O ATOM 703 CB ARG A 46 5.749 8.192 -4.745 1.00 0.00 C ATOM 704 CG ARG A 46 4.872 9.304 -5.325 1.00 0.00 C ATOM 705 CD ARG A 46 3.786 9.720 -4.331 1.00 0.00 C ATOM 706 NE ARG A 46 4.365 10.594 -3.286 1.00 0.00 N ATOM 707 CZ ARG A 46 4.598 11.904 -3.447 1.00 0.00 C ATOM 708 NH1 ARG A 46 4.304 12.499 -4.611 1.00 0.00 N ATOM 709 NH2 ARG A 46 5.126 12.619 -2.444 1.00 0.00 N ATOM 0 H ARG A 46 5.893 7.357 -7.091 1.00 0.00 H new ATOM 0 HA ARG A 46 5.730 6.053 -4.564 1.00 0.00 H new ATOM 0 HB2 ARG A 46 5.754 8.258 -3.657 1.00 0.00 H new ATOM 0 HB3 ARG A 46 6.778 8.325 -5.077 1.00 0.00 H new ATOM 0 HG2 ARG A 46 5.490 10.166 -5.576 1.00 0.00 H new ATOM 0 HG3 ARG A 46 4.411 8.962 -6.251 1.00 0.00 H new ATOM 0 HD2 ARG A 46 2.985 10.244 -4.853 1.00 0.00 H new ATOM 0 HD3 ARG A 46 3.343 8.836 -3.873 1.00 0.00 H new ATOM 0 HE ARG A 46 4.601 10.173 -2.387 1.00 0.00 H new ATOM 0 HH11 ARG A 46 3.903 11.955 -5.375 1.00 0.00 H new ATOM 0 HH12 ARG A 46 4.481 13.496 -4.733 1.00 0.00 H new ATOM 0 HH21 ARG A 46 5.351 12.166 -1.558 1.00 0.00 H new ATOM 0 HH22 ARG A 46 5.303 13.616 -2.567 1.00 0.00 H new ATOM 723 N LEU A 47 3.004 7.155 -6.003 1.00 0.00 N ATOM 724 CA LEU A 47 1.552 7.148 -5.949 1.00 0.00 C ATOM 725 C LEU A 47 1.073 5.799 -5.411 1.00 0.00 C ATOM 726 O LEU A 47 0.189 5.744 -4.558 1.00 0.00 O ATOM 727 CB LEU A 47 0.964 7.511 -7.314 1.00 0.00 C ATOM 728 CG LEU A 47 1.548 8.754 -7.988 1.00 0.00 C ATOM 729 CD1 LEU A 47 1.794 9.868 -6.967 1.00 0.00 C ATOM 730 CD2 LEU A 47 2.816 8.407 -8.771 1.00 0.00 C ATOM 0 H LEU A 47 3.397 7.492 -6.882 1.00 0.00 H new ATOM 0 HA LEU A 47 1.192 7.912 -5.260 1.00 0.00 H new ATOM 0 HB2 LEU A 47 1.100 6.662 -7.983 1.00 0.00 H new ATOM 0 HB3 LEU A 47 -0.110 7.656 -7.198 1.00 0.00 H new ATOM 0 HG LEU A 47 0.817 9.129 -8.705 1.00 0.00 H new ATOM 0 HD11 LEU A 47 2.209 10.740 -7.473 1.00 0.00 H new ATOM 0 HD12 LEU A 47 0.852 10.139 -6.491 1.00 0.00 H new ATOM 0 HD13 LEU A 47 2.496 9.519 -6.210 1.00 0.00 H new ATOM 0 HD21 LEU A 47 3.212 9.308 -9.241 1.00 0.00 H new ATOM 0 HD22 LEU A 47 3.562 7.995 -8.091 1.00 0.00 H new ATOM 0 HD23 LEU A 47 2.579 7.671 -9.539 1.00 0.00 H new ATOM 742 N ALA A 48 1.677 4.741 -5.934 1.00 0.00 N ATOM 743 CA ALA A 48 1.323 3.395 -5.518 1.00 0.00 C ATOM 744 C ALA A 48 1.502 3.270 -4.003 1.00 0.00 C ATOM 745 O ALA A 48 0.777 2.521 -3.349 1.00 0.00 O ATOM 746 CB ALA A 48 2.170 2.381 -6.290 1.00 0.00 C ATOM 0 H ALA A 48 2.409 4.790 -6.642 1.00 0.00 H new ATOM 0 HA ALA A 48 0.278 3.187 -5.745 1.00 0.00 H new ATOM 0 HB1 ALA A 48 1.904 1.371 -5.977 1.00 0.00 H new ATOM 0 HB2 ALA A 48 1.985 2.491 -7.359 1.00 0.00 H new ATOM 0 HB3 ALA A 48 3.226 2.558 -6.085 1.00 0.00 H new ATOM 752 N GLY A 49 2.469 4.015 -3.491 1.00 0.00 N ATOM 753 CA GLY A 49 2.752 3.998 -2.066 1.00 0.00 C ATOM 754 C GLY A 49 1.817 4.943 -1.310 1.00 0.00 C ATOM 755 O GLY A 49 1.495 4.704 -0.146 1.00 0.00 O ATOM 0 H GLY A 49 3.067 4.635 -4.037 1.00 0.00 H new ATOM 0 HA2 GLY A 49 2.639 2.984 -1.681 1.00 0.00 H new ATOM 0 HA3 GLY A 49 3.788 4.291 -1.894 1.00 0.00 H new ATOM 759 N CYS A 50 1.408 5.998 -2.000 1.00 0.00 N ATOM 760 CA CYS A 50 0.515 6.979 -1.408 1.00 0.00 C ATOM 761 C CYS A 50 -0.907 6.417 -1.438 1.00 0.00 C ATOM 762 O CYS A 50 -1.632 6.502 -0.448 1.00 0.00 O ATOM 763 CB CYS A 50 0.610 8.330 -2.121 1.00 0.00 C ATOM 764 SG CYS A 50 1.683 9.560 -1.295 1.00 0.00 S ATOM 0 H CYS A 50 1.679 6.194 -2.964 1.00 0.00 H new ATOM 0 HA CYS A 50 0.808 7.164 -0.375 1.00 0.00 H new ATOM 0 HB2 CYS A 50 0.982 8.166 -3.132 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -0.393 8.747 -2.214 1.00 0.00 H new ATOM 769 N ALA A 51 -1.263 5.854 -2.583 1.00 0.00 N ATOM 770 CA ALA A 51 -2.585 5.277 -2.755 1.00 0.00 C ATOM 771 C ALA A 51 -2.849 4.276 -1.629 1.00 0.00 C ATOM 772 O ALA A 51 -3.915 4.293 -1.016 1.00 0.00 O ATOM 773 CB ALA A 51 -2.688 4.639 -4.140 1.00 0.00 C ATOM 0 H ALA A 51 -0.658 5.785 -3.401 1.00 0.00 H new ATOM 0 HA ALA A 51 -3.352 6.049 -2.696 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -3.680 4.206 -4.268 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -2.522 5.399 -4.904 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -1.936 3.856 -4.237 1.00 0.00 H new ATOM 779 N ILE A 52 -1.861 3.426 -1.392 1.00 0.00 N ATOM 780 CA ILE A 52 -1.974 2.419 -0.351 1.00 0.00 C ATOM 781 C ILE A 52 -2.227 3.105 0.993 1.00 0.00 C ATOM 782 O ILE A 52 -3.012 2.619 1.804 1.00 0.00 O ATOM 783 CB ILE A 52 -0.745 1.507 -0.354 1.00 0.00 C ATOM 784 CG1 ILE A 52 -1.151 0.040 -0.196 1.00 0.00 C ATOM 785 CG2 ILE A 52 0.261 1.941 0.714 1.00 0.00 C ATOM 786 CD1 ILE A 52 -2.078 -0.147 1.007 1.00 0.00 C ATOM 0 H ILE A 52 -0.978 3.414 -1.903 1.00 0.00 H new ATOM 0 HA ILE A 52 -2.827 1.768 -0.542 1.00 0.00 H new ATOM 0 HB ILE A 52 -0.251 1.602 -1.321 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -1.652 -0.302 -1.102 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -0.260 -0.576 -0.072 1.00 0.00 H new ATOM 0 HG21 ILE A 52 1.125 1.277 0.691 1.00 0.00 H new ATOM 0 HG22 ILE A 52 0.584 2.963 0.516 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -0.208 1.892 1.697 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -2.351 -1.198 1.096 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -1.566 0.173 1.914 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -2.979 0.451 0.869 1.00 0.00 H new ATOM 798 N ASN A 53 -1.548 4.227 1.185 1.00 0.00 N ATOM 799 CA ASN A 53 -1.690 4.986 2.415 1.00 0.00 C ATOM 800 C ASN A 53 -3.163 5.344 2.623 1.00 0.00 C ATOM 801 O ASN A 53 -3.698 5.179 3.718 1.00 0.00 O ATOM 802 CB ASN A 53 -0.891 6.289 2.354 1.00 0.00 C ATOM 803 CG ASN A 53 0.160 6.341 3.465 1.00 0.00 C ATOM 804 OD1 ASN A 53 1.289 5.904 3.308 1.00 0.00 O ATOM 805 ND2 ASN A 53 -0.273 6.896 4.594 1.00 0.00 N ATOM 0 H ASN A 53 -0.898 4.628 0.509 1.00 0.00 H new ATOM 0 HA ASN A 53 -1.316 4.372 3.234 1.00 0.00 H new ATOM 0 HB2 ASN A 53 -0.403 6.375 1.383 1.00 0.00 H new ATOM 0 HB3 ASN A 53 -1.567 7.139 2.448 1.00 0.00 H new ATOM 0 HD21 ASN A 53 0.353 6.976 5.396 1.00 0.00 H new ATOM 0 HD22 ASN A 53 -1.231 7.242 4.658 1.00 0.00 H new ATOM 812 N CYS A 54 -3.778 5.826 1.552 1.00 0.00 N ATOM 813 CA CYS A 54 -5.178 6.208 1.602 1.00 0.00 C ATOM 814 C CYS A 54 -6.007 4.958 1.904 1.00 0.00 C ATOM 815 O CYS A 54 -7.067 5.046 2.522 1.00 0.00 O ATOM 816 CB CYS A 54 -5.625 6.891 0.307 1.00 0.00 C ATOM 817 SG CYS A 54 -6.686 5.865 -0.774 1.00 0.00 S ATOM 0 H CYS A 54 -3.331 5.960 0.645 1.00 0.00 H new ATOM 0 HA CYS A 54 -5.329 6.942 2.393 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -6.164 7.804 0.561 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -4.740 7.190 -0.254 1.00 0.00 H new ATOM 822 N LEU A 55 -5.494 3.824 1.453 1.00 0.00 N ATOM 823 CA LEU A 55 -6.173 2.558 1.667 1.00 0.00 C ATOM 824 C LEU A 55 -6.456 2.382 3.159 1.00 0.00 C ATOM 825 O LEU A 55 -7.470 1.793 3.537 1.00 0.00 O ATOM 826 CB LEU A 55 -5.368 1.408 1.054 1.00 0.00 C ATOM 827 CG LEU A 55 -6.180 0.204 0.572 1.00 0.00 C ATOM 828 CD1 LEU A 55 -6.068 0.041 -0.946 1.00 0.00 C ATOM 829 CD2 LEU A 55 -5.771 -1.068 1.317 1.00 0.00 C ATOM 0 H LEU A 55 -4.615 3.755 0.940 1.00 0.00 H new ATOM 0 HA LEU A 55 -7.136 2.551 1.156 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.799 1.798 0.211 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -4.646 1.062 1.793 1.00 0.00 H new ATOM 0 HG LEU A 55 -7.230 0.386 0.801 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -6.654 -0.822 -1.264 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -6.446 0.937 -1.437 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.024 -0.109 -1.220 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.364 -1.908 0.955 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -4.714 -1.268 1.143 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -5.944 -0.936 2.385 1.00 0.00 H new ATOM 841 N ALA A 56 -5.546 2.902 3.968 1.00 0.00 N ATOM 842 CA ALA A 56 -5.686 2.809 5.412 1.00 0.00 C ATOM 843 C ALA A 56 -6.799 3.754 5.872 1.00 0.00 C ATOM 844 O ALA A 56 -7.259 3.668 7.009 1.00 0.00 O ATOM 845 CB ALA A 56 -4.344 3.124 6.076 1.00 0.00 C ATOM 0 H ALA A 56 -4.708 3.390 3.652 1.00 0.00 H new ATOM 0 HA ALA A 56 -5.967 1.798 5.707 1.00 0.00 H new ATOM 0 HB1 ALA A 56 -4.449 3.054 7.159 1.00 0.00 H new ATOM 0 HB2 ALA A 56 -3.594 2.409 5.737 1.00 0.00 H new ATOM 0 HB3 ALA A 56 -4.032 4.133 5.806 1.00 0.00 H new ATOM 851 N THR A 57 -7.199 4.633 4.965 1.00 0.00 N ATOM 852 CA THR A 57 -8.250 5.591 5.264 1.00 0.00 C ATOM 853 C THR A 57 -9.067 5.128 6.471 1.00 0.00 C ATOM 854 O THR A 57 -9.145 5.827 7.480 1.00 0.00 O ATOM 855 CB THR A 57 -9.088 5.785 3.999 1.00 0.00 C ATOM 856 OG1 THR A 57 -10.321 6.315 4.478 1.00 0.00 O ATOM 857 CG2 THR A 57 -9.481 4.456 3.349 1.00 0.00 C ATOM 0 H THR A 57 -6.814 4.702 4.023 1.00 0.00 H new ATOM 0 HA THR A 57 -7.834 6.558 5.546 1.00 0.00 H new ATOM 0 HB THR A 57 -8.531 6.389 3.283 1.00 0.00 H new ATOM 0 HG1 THR A 57 -10.925 6.473 3.722 1.00 0.00 H new ATOM 0 HG21 THR A 57 -10.074 4.649 2.455 1.00 0.00 H new ATOM 0 HG22 THR A 57 -8.581 3.905 3.075 1.00 0.00 H new ATOM 0 HG23 THR A 57 -10.067 3.866 4.053 1.00 0.00 H new ATOM 865 N LYS A 58 -9.657 3.950 6.327 1.00 0.00 N ATOM 866 CA LYS A 58 -10.466 3.384 7.394 1.00 0.00 C ATOM 867 C LYS A 58 -9.778 2.131 7.941 1.00 0.00 C ATOM 868 O LYS A 58 -9.971 1.034 7.420 1.00 0.00 O ATOM 869 CB LYS A 58 -11.896 3.137 6.907 1.00 0.00 C ATOM 870 CG LYS A 58 -12.640 4.458 6.698 1.00 0.00 C ATOM 871 CD LYS A 58 -13.288 4.933 7.999 1.00 0.00 C ATOM 872 CE LYS A 58 -14.096 6.213 7.773 1.00 0.00 C ATOM 873 NZ LYS A 58 -14.914 6.528 8.966 1.00 0.00 N ATOM 0 H LYS A 58 -9.591 3.373 5.489 1.00 0.00 H new ATOM 0 HA LYS A 58 -10.552 4.088 8.222 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -11.874 2.576 5.973 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -12.431 2.525 7.633 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -11.947 5.217 6.335 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -13.405 4.332 5.932 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -13.939 4.152 8.392 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -12.518 5.112 8.749 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -13.422 7.042 7.558 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -14.742 6.093 6.903 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -15.456 7.399 8.795 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -15.570 5.743 9.154 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -14.291 6.663 9.788 1.00 0.00 H new ATOM 887 N LEU A 59 -8.989 2.338 8.985 1.00 0.00 N ATOM 888 CA LEU A 59 -8.271 1.239 9.609 1.00 0.00 C ATOM 889 C LEU A 59 -9.272 0.179 10.072 1.00 0.00 C ATOM 890 O LEU A 59 -8.892 -0.956 10.357 1.00 0.00 O ATOM 891 CB LEU A 59 -7.364 1.758 10.726 1.00 0.00 C ATOM 892 CG LEU A 59 -5.858 1.681 10.460 1.00 0.00 C ATOM 893 CD1 LEU A 59 -5.520 2.238 9.075 1.00 0.00 C ATOM 894 CD2 LEU A 59 -5.070 2.379 11.568 1.00 0.00 C ATOM 0 H LEU A 59 -8.831 3.250 9.414 1.00 0.00 H new ATOM 0 HA LEU A 59 -7.608 0.759 8.889 1.00 0.00 H new ATOM 0 HB2 LEU A 59 -7.625 2.798 10.925 1.00 0.00 H new ATOM 0 HB3 LEU A 59 -7.581 1.196 11.634 1.00 0.00 H new ATOM 0 HG LEU A 59 -5.560 0.632 10.467 1.00 0.00 H new ATOM 0 HD11 LEU A 59 -4.445 2.173 8.909 1.00 0.00 H new ATOM 0 HD12 LEU A 59 -6.041 1.658 8.313 1.00 0.00 H new ATOM 0 HD13 LEU A 59 -5.834 3.280 9.016 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -4.003 2.310 11.355 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -5.363 3.428 11.617 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -5.281 1.898 12.523 1.00 0.00 H new ATOM 906 N ASP A 60 -10.531 0.586 10.132 1.00 0.00 N ATOM 907 CA ASP A 60 -11.590 -0.314 10.556 1.00 0.00 C ATOM 908 C ASP A 60 -11.820 -1.369 9.473 1.00 0.00 C ATOM 909 O ASP A 60 -12.332 -2.452 9.753 1.00 0.00 O ATOM 910 CB ASP A 60 -12.903 0.441 10.769 1.00 0.00 C ATOM 911 CG ASP A 60 -13.488 0.336 12.179 1.00 0.00 C ATOM 912 OD1 ASP A 60 -12.698 0.493 13.134 1.00 0.00 O ATOM 913 OD2 ASP A 60 -14.712 0.101 12.269 1.00 0.00 O ATOM 0 H ASP A 60 -10.842 1.528 9.894 1.00 0.00 H new ATOM 0 HA ASP A 60 -11.285 -0.776 11.495 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -12.741 1.494 10.536 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -13.639 0.067 10.058 1.00 0.00 H new ATOM 918 N VAL A 61 -11.432 -1.016 8.255 1.00 0.00 N ATOM 919 CA VAL A 61 -11.590 -1.918 7.127 1.00 0.00 C ATOM 920 C VAL A 61 -10.437 -2.923 7.118 1.00 0.00 C ATOM 921 O VAL A 61 -10.645 -4.111 6.873 1.00 0.00 O ATOM 922 CB VAL A 61 -11.695 -1.117 5.828 1.00 0.00 C ATOM 923 CG1 VAL A 61 -12.512 0.160 6.036 1.00 0.00 C ATOM 924 CG2 VAL A 61 -10.309 -0.798 5.266 1.00 0.00 C ATOM 0 H VAL A 61 -11.008 -0.117 8.025 1.00 0.00 H new ATOM 0 HA VAL A 61 -12.516 -2.486 7.219 1.00 0.00 H new ATOM 0 HB VAL A 61 -12.218 -1.733 5.096 1.00 0.00 H new ATOM 0 HG11 VAL A 61 -12.571 0.711 5.097 1.00 0.00 H new ATOM 0 HG12 VAL A 61 -13.517 -0.101 6.368 1.00 0.00 H new ATOM 0 HG13 VAL A 61 -12.030 0.781 6.791 1.00 0.00 H new ATOM 0 HG21 VAL A 61 -10.413 -0.228 4.343 1.00 0.00 H new ATOM 0 HG22 VAL A 61 -9.748 -0.211 5.993 1.00 0.00 H new ATOM 0 HG23 VAL A 61 -9.777 -1.727 5.061 1.00 0.00 H new ATOM 934 N VAL A 62 -9.245 -2.410 7.387 1.00 0.00 N ATOM 935 CA VAL A 62 -8.058 -3.247 7.413 1.00 0.00 C ATOM 936 C VAL A 62 -7.987 -3.982 8.753 1.00 0.00 C ATOM 937 O VAL A 62 -7.724 -5.183 8.794 1.00 0.00 O ATOM 938 CB VAL A 62 -6.814 -2.402 7.128 1.00 0.00 C ATOM 939 CG1 VAL A 62 -6.478 -2.408 5.635 1.00 0.00 C ATOM 940 CG2 VAL A 62 -6.993 -0.973 7.644 1.00 0.00 C ATOM 0 H VAL A 62 -9.076 -1.425 7.589 1.00 0.00 H new ATOM 0 HA VAL A 62 -8.107 -4.003 6.629 1.00 0.00 H new ATOM 0 HB VAL A 62 -5.975 -2.849 7.662 1.00 0.00 H new ATOM 0 HG11 VAL A 62 -5.590 -1.800 5.459 1.00 0.00 H new ATOM 0 HG12 VAL A 62 -6.288 -3.431 5.309 1.00 0.00 H new ATOM 0 HG13 VAL A 62 -7.316 -1.997 5.072 1.00 0.00 H new ATOM 0 HG21 VAL A 62 -6.095 -0.393 7.429 1.00 0.00 H new ATOM 0 HG22 VAL A 62 -7.849 -0.513 7.151 1.00 0.00 H new ATOM 0 HG23 VAL A 62 -7.163 -0.993 8.721 1.00 0.00 H new ATOM 950 N ASP A 63 -8.225 -3.230 9.818 1.00 0.00 N ATOM 951 CA ASP A 63 -8.191 -3.796 11.156 1.00 0.00 C ATOM 952 C ASP A 63 -9.525 -3.524 11.853 1.00 0.00 C ATOM 953 O ASP A 63 -9.830 -2.383 12.197 1.00 0.00 O ATOM 954 CB ASP A 63 -7.082 -3.158 11.995 1.00 0.00 C ATOM 955 CG ASP A 63 -6.777 -1.696 11.661 1.00 0.00 C ATOM 956 OD1 ASP A 63 -6.215 -1.468 10.567 1.00 0.00 O ATOM 957 OD2 ASP A 63 -7.113 -0.839 12.507 1.00 0.00 O ATOM 0 H ASP A 63 -8.442 -2.234 9.781 1.00 0.00 H new ATOM 0 HA ASP A 63 -8.005 -4.866 11.065 1.00 0.00 H new ATOM 0 HB2 ASP A 63 -7.359 -3.224 13.047 1.00 0.00 H new ATOM 0 HB3 ASP A 63 -6.170 -3.742 11.868 1.00 0.00 H new ATOM 962 N PRO A 64 -10.305 -4.621 12.045 1.00 0.00 N ATOM 963 CA PRO A 64 -11.601 -4.514 12.696 1.00 0.00 C ATOM 964 C PRO A 64 -11.443 -4.318 14.205 1.00 0.00 C ATOM 965 O PRO A 64 -12.158 -3.522 14.810 1.00 0.00 O ATOM 966 CB PRO A 64 -12.330 -5.799 12.336 1.00 0.00 C ATOM 967 CG PRO A 64 -11.256 -6.777 11.890 1.00 0.00 C ATOM 968 CD PRO A 64 -9.977 -5.988 11.651 1.00 0.00 C ATOM 0 HA PRO A 64 -12.168 -3.644 12.364 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -12.881 -6.188 13.192 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -13.056 -5.627 11.541 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -11.096 -7.542 12.650 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -11.563 -7.292 10.980 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -9.152 -6.383 12.243 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -9.672 -6.036 10.606 1.00 0.00 H new ATOM 976 N ASP A 65 -10.501 -5.061 14.770 1.00 0.00 N ATOM 977 CA ASP A 65 -10.239 -4.978 16.195 1.00 0.00 C ATOM 978 C ASP A 65 -8.872 -4.330 16.423 1.00 0.00 C ATOM 979 O ASP A 65 -8.449 -4.149 17.565 1.00 0.00 O ATOM 980 CB ASP A 65 -10.214 -6.370 16.832 1.00 0.00 C ATOM 981 CG ASP A 65 -10.733 -6.434 18.270 1.00 0.00 C ATOM 982 OD1 ASP A 65 -11.752 -5.762 18.536 1.00 0.00 O ATOM 983 OD2 ASP A 65 -10.096 -7.152 19.071 1.00 0.00 O ATOM 0 H ASP A 65 -9.911 -5.723 14.265 1.00 0.00 H new ATOM 0 HA ASP A 65 -11.034 -4.386 16.649 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -10.809 -7.045 16.217 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -9.190 -6.742 16.815 1.00 0.00 H new ATOM 988 N GLY A 66 -8.219 -3.997 15.319 1.00 0.00 N ATOM 989 CA GLY A 66 -6.909 -3.372 15.383 1.00 0.00 C ATOM 990 C GLY A 66 -5.807 -4.369 15.021 1.00 0.00 C ATOM 991 O GLY A 66 -4.793 -4.457 15.710 1.00 0.00 O ATOM 0 H GLY A 66 -8.573 -4.148 14.375 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -6.874 -2.522 14.701 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -6.737 -2.983 16.386 1.00 0.00 H new ATOM 995 N ASN A 67 -6.046 -5.099 13.940 1.00 0.00 N ATOM 996 CA ASN A 67 -5.086 -6.086 13.476 1.00 0.00 C ATOM 997 C ASN A 67 -3.718 -5.422 13.306 1.00 0.00 C ATOM 998 O ASN A 67 -2.688 -6.038 13.575 1.00 0.00 O ATOM 999 CB ASN A 67 -5.502 -6.666 12.124 1.00 0.00 C ATOM 1000 CG ASN A 67 -4.820 -8.012 11.872 1.00 0.00 C ATOM 1001 OD1 ASN A 67 -4.776 -8.884 12.722 1.00 0.00 O ATOM 1002 ND2 ASN A 67 -4.292 -8.132 10.656 1.00 0.00 N ATOM 0 H ASN A 67 -6.891 -5.026 13.373 1.00 0.00 H new ATOM 0 HA ASN A 67 -5.044 -6.887 14.214 1.00 0.00 H new ATOM 0 HB2 ASN A 67 -6.584 -6.792 12.096 1.00 0.00 H new ATOM 0 HB3 ASN A 67 -5.241 -5.968 11.329 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -3.815 -8.994 10.390 1.00 0.00 H new ATOM 0 HD22 ASN A 67 -4.364 -7.362 9.991 1.00 0.00 H new ATOM 1009 N LEU A 68 -3.754 -4.174 12.860 1.00 0.00 N ATOM 1010 CA LEU A 68 -2.530 -3.421 12.650 1.00 0.00 C ATOM 1011 C LEU A 68 -2.874 -1.944 12.446 1.00 0.00 C ATOM 1012 O LEU A 68 -4.032 -1.548 12.582 1.00 0.00 O ATOM 1013 CB LEU A 68 -1.717 -4.026 11.504 1.00 0.00 C ATOM 1014 CG LEU A 68 -2.066 -3.532 10.100 1.00 0.00 C ATOM 1015 CD1 LEU A 68 -3.418 -2.815 10.090 1.00 0.00 C ATOM 1016 CD2 LEU A 68 -0.948 -2.653 9.534 1.00 0.00 C ATOM 0 H LEU A 68 -4.611 -3.667 12.639 1.00 0.00 H new ATOM 0 HA LEU A 68 -1.890 -3.482 13.530 1.00 0.00 H new ATOM 0 HB2 LEU A 68 -0.662 -3.823 11.687 1.00 0.00 H new ATOM 0 HB3 LEU A 68 -1.842 -5.109 11.528 1.00 0.00 H new ATOM 0 HG LEU A 68 -2.157 -4.400 9.446 1.00 0.00 H new ATOM 0 HD11 LEU A 68 -3.642 -2.474 9.079 1.00 0.00 H new ATOM 0 HD12 LEU A 68 -4.197 -3.502 10.422 1.00 0.00 H new ATOM 0 HD13 LEU A 68 -3.380 -1.958 10.762 1.00 0.00 H new ATOM 0 HD21 LEU A 68 -1.222 -2.315 8.535 1.00 0.00 H new ATOM 0 HD22 LEU A 68 -0.801 -1.789 10.182 1.00 0.00 H new ATOM 0 HD23 LEU A 68 -0.024 -3.228 9.482 1.00 0.00 H new ATOM 1028 N HIS A 69 -1.850 -1.169 12.120 1.00 0.00 N ATOM 1029 CA HIS A 69 -2.030 0.255 11.896 1.00 0.00 C ATOM 1030 C HIS A 69 -1.088 0.722 10.785 1.00 0.00 C ATOM 1031 O HIS A 69 0.132 0.655 10.933 1.00 0.00 O ATOM 1032 CB HIS A 69 -1.848 1.038 13.197 1.00 0.00 C ATOM 1033 CG HIS A 69 -3.063 1.031 14.093 1.00 0.00 C ATOM 1034 ND1 HIS A 69 -3.550 -0.120 14.687 1.00 0.00 N ATOM 1035 CD2 HIS A 69 -3.884 2.046 14.490 1.00 0.00 C ATOM 1036 CE1 HIS A 69 -4.617 0.199 15.407 1.00 0.00 C ATOM 1037 NE2 HIS A 69 -4.822 1.541 15.283 1.00 0.00 N ATOM 0 H HIS A 69 -0.892 -1.501 12.006 1.00 0.00 H new ATOM 0 HA HIS A 69 -3.050 0.449 11.565 1.00 0.00 H new ATOM 0 HB2 HIS A 69 -1.003 0.621 13.745 1.00 0.00 H new ATOM 0 HB3 HIS A 69 -1.593 2.070 12.955 1.00 0.00 H new ATOM 0 HD2 HIS A 69 -3.787 3.084 14.207 1.00 0.00 H new ATOM 0 HE1 HIS A 69 -5.218 -0.484 15.989 1.00 0.00 H new ATOM 0 HE2 HIS A 69 -5.573 2.070 15.727 1.00 0.00 H new ATOM 1046 N HIS A 70 -1.688 1.185 9.698 1.00 0.00 N ATOM 1047 CA HIS A 70 -0.916 1.664 8.564 1.00 0.00 C ATOM 1048 C HIS A 70 0.289 2.464 9.063 1.00 0.00 C ATOM 1049 O HIS A 70 0.178 3.225 10.022 1.00 0.00 O ATOM 1050 CB HIS A 70 -1.800 2.461 7.604 1.00 0.00 C ATOM 1051 CG HIS A 70 -2.002 3.902 8.007 1.00 0.00 C ATOM 1052 ND1 HIS A 70 -1.990 4.945 7.097 1.00 0.00 N ATOM 1053 CD2 HIS A 70 -2.223 4.463 9.231 1.00 0.00 C ATOM 1054 CE1 HIS A 70 -2.193 6.077 7.754 1.00 0.00 C ATOM 1055 NE2 HIS A 70 -2.337 5.776 9.077 1.00 0.00 N ATOM 0 H HIS A 70 -2.700 1.239 9.579 1.00 0.00 H new ATOM 0 HA HIS A 70 -0.534 0.816 7.996 1.00 0.00 H new ATOM 0 HB2 HIS A 70 -1.356 2.432 6.609 1.00 0.00 H new ATOM 0 HB3 HIS A 70 -2.773 1.974 7.534 1.00 0.00 H new ATOM 0 HD2 HIS A 70 -2.293 3.929 10.167 1.00 0.00 H new ATOM 0 HE1 HIS A 70 -2.237 7.065 7.319 1.00 0.00 H new ATOM 0 HE2 HIS A 70 -2.505 6.449 9.825 1.00 0.00 H new ATOM 1064 N GLY A 71 1.411 2.264 8.389 1.00 0.00 N ATOM 1065 CA GLY A 71 2.636 2.957 8.752 1.00 0.00 C ATOM 1066 C GLY A 71 3.315 2.281 9.945 1.00 0.00 C ATOM 1067 O GLY A 71 4.526 2.065 9.932 1.00 0.00 O ATOM 0 H GLY A 71 1.498 1.632 7.593 1.00 0.00 H new ATOM 0 HA2 GLY A 71 3.317 2.970 7.901 1.00 0.00 H new ATOM 0 HA3 GLY A 71 2.412 3.995 8.997 1.00 0.00 H new ATOM 1071 N ASN A 72 2.507 1.968 10.946 1.00 0.00 N ATOM 1072 CA ASN A 72 3.014 1.322 12.144 1.00 0.00 C ATOM 1073 C ASN A 72 2.271 0.002 12.361 1.00 0.00 C ATOM 1074 O ASN A 72 1.428 -0.100 13.251 1.00 0.00 O ATOM 1075 CB ASN A 72 2.793 2.197 13.378 1.00 0.00 C ATOM 1076 CG ASN A 72 3.242 1.476 14.651 1.00 0.00 C ATOM 1077 OD1 ASN A 72 4.478 1.777 15.037 1.00 0.00 O flip ATOM 1078 ND2 ASN A 72 2.514 0.695 15.242 1.00 0.00 N flip ATOM 0 H ASN A 72 1.503 2.150 10.952 1.00 0.00 H new ATOM 0 HA ASN A 72 4.082 1.153 12.009 1.00 0.00 H new ATOM 0 HB2 ASN A 72 3.346 3.130 13.270 1.00 0.00 H new ATOM 0 HB3 ASN A 72 1.738 2.459 13.458 1.00 0.00 H new ATOM 0 HD21 ASN A 72 1.575 0.508 14.891 1.00 0.00 H new ATOM 0 HD22 ASN A 72 2.845 0.229 16.087 1.00 0.00 H new ATOM 1085 N ALA A 73 2.608 -0.974 11.531 1.00 0.00 N ATOM 1086 CA ALA A 73 1.983 -2.283 11.622 1.00 0.00 C ATOM 1087 C ALA A 73 2.298 -2.902 12.985 1.00 0.00 C ATOM 1088 O ALA A 73 3.454 -2.926 13.407 1.00 0.00 O ATOM 1089 CB ALA A 73 2.459 -3.157 10.460 1.00 0.00 C ATOM 0 H ALA A 73 3.306 -0.885 10.792 1.00 0.00 H new ATOM 0 HA ALA A 73 0.899 -2.197 11.543 1.00 0.00 H new ATOM 0 HB1 ALA A 73 1.991 -4.139 10.528 1.00 0.00 H new ATOM 0 HB2 ALA A 73 2.184 -2.688 9.515 1.00 0.00 H new ATOM 0 HB3 ALA A 73 3.542 -3.268 10.508 1.00 0.00 H new ATOM 1095 N LYS A 74 1.251 -3.384 13.636 1.00 0.00 N ATOM 1096 CA LYS A 74 1.401 -4.002 14.944 1.00 0.00 C ATOM 1097 C LYS A 74 2.329 -5.211 14.827 1.00 0.00 C ATOM 1098 O LYS A 74 2.699 -5.612 13.724 1.00 0.00 O ATOM 1099 CB LYS A 74 0.033 -4.332 15.541 1.00 0.00 C ATOM 1100 CG LYS A 74 -0.785 -3.060 15.780 1.00 0.00 C ATOM 1101 CD LYS A 74 -0.632 -2.574 17.221 1.00 0.00 C ATOM 1102 CE LYS A 74 -0.286 -1.083 17.262 1.00 0.00 C ATOM 1103 NZ LYS A 74 0.499 -0.767 18.477 1.00 0.00 N ATOM 0 H LYS A 74 0.294 -3.360 13.283 1.00 0.00 H new ATOM 0 HA LYS A 74 1.868 -3.308 15.643 1.00 0.00 H new ATOM 0 HB2 LYS A 74 -0.510 -4.996 14.869 1.00 0.00 H new ATOM 0 HB3 LYS A 74 0.163 -4.867 16.482 1.00 0.00 H new ATOM 0 HG2 LYS A 74 -0.459 -2.279 15.093 1.00 0.00 H new ATOM 0 HG3 LYS A 74 -1.836 -3.254 15.567 1.00 0.00 H new ATOM 0 HD2 LYS A 74 -1.557 -2.752 17.769 1.00 0.00 H new ATOM 0 HD3 LYS A 74 0.149 -3.146 17.721 1.00 0.00 H new ATOM 0 HE2 LYS A 74 0.283 -0.811 16.373 1.00 0.00 H new ATOM 0 HE3 LYS A 74 -1.201 -0.491 17.248 1.00 0.00 H new ATOM 0 HZ1 LYS A 74 0.726 0.248 18.490 1.00 0.00 H new ATOM 0 HZ2 LYS A 74 -0.057 -1.008 19.322 1.00 0.00 H new ATOM 0 HZ3 LYS A 74 1.381 -1.318 18.474 1.00 0.00 H new ATOM 1117 N ASP A 75 2.682 -5.760 15.980 1.00 0.00 N ATOM 1118 CA ASP A 75 3.562 -6.916 16.022 1.00 0.00 C ATOM 1119 C ASP A 75 2.809 -8.143 15.505 1.00 0.00 C ATOM 1120 O ASP A 75 3.359 -9.242 15.466 1.00 0.00 O ATOM 1121 CB ASP A 75 4.017 -7.210 17.454 1.00 0.00 C ATOM 1122 CG ASP A 75 5.062 -6.240 18.012 1.00 0.00 C ATOM 1123 OD1 ASP A 75 6.203 -6.281 17.504 1.00 0.00 O ATOM 1124 OD2 ASP A 75 4.694 -5.481 18.934 1.00 0.00 O ATOM 0 H ASP A 75 2.374 -5.425 16.893 1.00 0.00 H new ATOM 0 HA ASP A 75 4.433 -6.700 15.403 1.00 0.00 H new ATOM 0 HB2 ASP A 75 3.144 -7.195 18.107 1.00 0.00 H new ATOM 0 HB3 ASP A 75 4.425 -8.220 17.490 1.00 0.00 H new ATOM 1129 N PHE A 76 1.562 -7.913 15.120 1.00 0.00 N ATOM 1130 CA PHE A 76 0.728 -8.986 14.606 1.00 0.00 C ATOM 1131 C PHE A 76 0.656 -8.941 13.077 1.00 0.00 C ATOM 1132 O PHE A 76 0.594 -9.981 12.424 1.00 0.00 O ATOM 1133 CB PHE A 76 -0.675 -8.775 15.178 1.00 0.00 C ATOM 1134 CG PHE A 76 -0.690 -8.258 16.617 1.00 0.00 C ATOM 1135 CD1 PHE A 76 -0.144 -9.007 17.613 1.00 0.00 C ATOM 1136 CD2 PHE A 76 -1.248 -7.051 16.902 1.00 0.00 C ATOM 1137 CE1 PHE A 76 -0.158 -8.528 18.950 1.00 0.00 C ATOM 1138 CE2 PHE A 76 -1.261 -6.572 18.239 1.00 0.00 C ATOM 1139 CZ PHE A 76 -0.716 -7.321 19.234 1.00 0.00 C ATOM 0 H PHE A 76 1.109 -7.000 15.154 1.00 0.00 H new ATOM 0 HA PHE A 76 1.144 -9.951 14.895 1.00 0.00 H new ATOM 0 HB2 PHE A 76 -1.212 -8.070 14.544 1.00 0.00 H new ATOM 0 HB3 PHE A 76 -1.219 -9.719 15.136 1.00 0.00 H new ATOM 0 HD1 PHE A 76 0.300 -9.965 17.387 1.00 0.00 H new ATOM 0 HD2 PHE A 76 -1.681 -6.456 16.111 1.00 0.00 H new ATOM 0 HE1 PHE A 76 0.275 -9.122 19.741 1.00 0.00 H new ATOM 0 HE2 PHE A 76 -1.704 -5.613 18.465 1.00 0.00 H new ATOM 0 HZ PHE A 76 -0.726 -6.957 20.251 1.00 0.00 H new ATOM 1149 N ALA A 77 0.667 -7.724 12.553 1.00 0.00 N ATOM 1150 CA ALA A 77 0.604 -7.530 11.114 1.00 0.00 C ATOM 1151 C ALA A 77 1.714 -8.343 10.445 1.00 0.00 C ATOM 1152 O ALA A 77 1.455 -9.402 9.875 1.00 0.00 O ATOM 1153 CB ALA A 77 0.703 -6.037 10.796 1.00 0.00 C ATOM 0 H ALA A 77 0.719 -6.863 13.098 1.00 0.00 H new ATOM 0 HA ALA A 77 -0.348 -7.885 10.720 1.00 0.00 H new ATOM 0 HB1 ALA A 77 0.656 -5.891 9.717 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -0.124 -5.508 11.270 1.00 0.00 H new ATOM 0 HB3 ALA A 77 1.648 -5.646 11.174 1.00 0.00 H new ATOM 1159 N MET A 78 2.926 -7.818 10.536 1.00 0.00 N ATOM 1160 CA MET A 78 4.077 -8.482 9.947 1.00 0.00 C ATOM 1161 C MET A 78 4.488 -9.702 10.772 1.00 0.00 C ATOM 1162 O MET A 78 5.675 -9.929 11.001 1.00 0.00 O ATOM 1163 CB MET A 78 5.247 -7.501 9.866 1.00 0.00 C ATOM 1164 CG MET A 78 5.968 -7.396 11.212 1.00 0.00 C ATOM 1165 SD MET A 78 4.805 -6.973 12.498 1.00 0.00 S ATOM 1166 CE MET A 78 4.811 -8.492 13.434 1.00 0.00 C ATOM 0 H MET A 78 3.137 -6.939 11.009 1.00 0.00 H new ATOM 0 HA MET A 78 3.805 -8.819 8.947 1.00 0.00 H new ATOM 0 HB2 MET A 78 5.948 -7.828 9.098 1.00 0.00 H new ATOM 0 HB3 MET A 78 4.882 -6.518 9.567 1.00 0.00 H new ATOM 0 HG2 MET A 78 6.455 -8.342 11.448 1.00 0.00 H new ATOM 0 HG3 MET A 78 6.751 -6.640 11.156 1.00 0.00 H new ATOM 0 HE1 MET A 78 3.809 -8.921 13.438 1.00 0.00 H new ATOM 0 HE2 MET A 78 5.506 -9.197 12.979 1.00 0.00 H new ATOM 0 HE3 MET A 78 5.121 -8.287 14.459 1.00 0.00 H new ATOM 1176 N LYS A 79 3.484 -10.455 11.198 1.00 0.00 N ATOM 1177 CA LYS A 79 3.728 -11.646 11.993 1.00 0.00 C ATOM 1178 C LYS A 79 2.753 -12.747 11.565 1.00 0.00 C ATOM 1179 O LYS A 79 3.167 -13.874 11.292 1.00 0.00 O ATOM 1180 CB LYS A 79 3.664 -11.316 13.486 1.00 0.00 C ATOM 1181 CG LYS A 79 3.482 -12.585 14.321 1.00 0.00 C ATOM 1182 CD LYS A 79 2.024 -12.754 14.751 1.00 0.00 C ATOM 1183 CE LYS A 79 1.816 -14.089 15.471 1.00 0.00 C ATOM 1184 NZ LYS A 79 0.834 -13.936 16.568 1.00 0.00 N ATOM 0 H LYS A 79 2.500 -10.263 11.007 1.00 0.00 H new ATOM 0 HA LYS A 79 4.735 -12.023 11.816 1.00 0.00 H new ATOM 0 HB2 LYS A 79 4.578 -10.805 13.789 1.00 0.00 H new ATOM 0 HB3 LYS A 79 2.838 -10.630 13.675 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.797 -13.453 13.743 1.00 0.00 H new ATOM 0 HG3 LYS A 79 4.122 -12.540 15.202 1.00 0.00 H new ATOM 0 HD2 LYS A 79 1.738 -11.933 15.409 1.00 0.00 H new ATOM 0 HD3 LYS A 79 1.375 -12.703 13.877 1.00 0.00 H new ATOM 0 HE2 LYS A 79 1.466 -14.840 14.763 1.00 0.00 H new ATOM 0 HE3 LYS A 79 2.765 -14.445 15.871 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 0.703 -14.850 17.047 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 1.183 -13.234 17.251 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 -0.076 -13.617 16.178 1.00 0.00 H new ATOM 1198 N HIS A 80 1.480 -12.382 11.520 1.00 0.00 N ATOM 1199 CA HIS A 80 0.446 -13.326 11.130 1.00 0.00 C ATOM 1200 C HIS A 80 0.584 -13.652 9.643 1.00 0.00 C ATOM 1201 O HIS A 80 -0.132 -14.506 9.122 1.00 0.00 O ATOM 1202 CB HIS A 80 -0.941 -12.791 11.494 1.00 0.00 C ATOM 1203 CG HIS A 80 -1.498 -11.800 10.500 1.00 0.00 C ATOM 1204 ND1 HIS A 80 -0.713 -10.855 9.864 1.00 0.00 N ATOM 1205 CD2 HIS A 80 -2.768 -11.619 10.038 1.00 0.00 C ATOM 1206 CE1 HIS A 80 -1.487 -10.142 9.057 1.00 0.00 C ATOM 1207 NE2 HIS A 80 -2.761 -10.617 9.168 1.00 0.00 N ATOM 0 H HIS A 80 1.141 -11.447 11.747 1.00 0.00 H new ATOM 0 HA HIS A 80 0.570 -14.257 11.683 1.00 0.00 H new ATOM 0 HB2 HIS A 80 -1.631 -13.630 11.581 1.00 0.00 H new ATOM 0 HB3 HIS A 80 -0.890 -12.317 12.474 1.00 0.00 H new ATOM 0 HD1 HIS A 80 0.291 -10.728 9.994 1.00 0.00 H new ATOM 0 HD2 HIS A 80 -3.634 -12.194 10.331 1.00 0.00 H new ATOM 0 HE1 HIS A 80 -1.165 -9.329 8.424 1.00 0.00 H new ATOM 1216 N GLY A 81 1.508 -12.955 8.999 1.00 0.00 N ATOM 1217 CA GLY A 81 1.749 -13.159 7.580 1.00 0.00 C ATOM 1218 C GLY A 81 3.235 -13.001 7.248 1.00 0.00 C ATOM 1219 O GLY A 81 3.591 -12.717 6.105 1.00 0.00 O ATOM 0 H GLY A 81 2.100 -12.247 9.434 1.00 0.00 H new ATOM 0 HA2 GLY A 81 1.412 -14.154 7.289 1.00 0.00 H new ATOM 0 HA3 GLY A 81 1.165 -12.443 7.002 1.00 0.00 H new ATOM 1223 N ALA A 82 4.059 -13.193 8.266 1.00 0.00 N ATOM 1224 CA ALA A 82 5.497 -13.075 8.098 1.00 0.00 C ATOM 1225 C ALA A 82 6.183 -14.284 8.739 1.00 0.00 C ATOM 1226 O ALA A 82 5.595 -14.963 9.578 1.00 0.00 O ATOM 1227 CB ALA A 82 5.976 -11.750 8.694 1.00 0.00 C ATOM 0 H ALA A 82 3.758 -13.430 9.211 1.00 0.00 H new ATOM 0 HA ALA A 82 5.759 -13.069 7.040 1.00 0.00 H new ATOM 0 HB1 ALA A 82 7.055 -11.663 8.567 1.00 0.00 H new ATOM 0 HB2 ALA A 82 5.483 -10.922 8.184 1.00 0.00 H new ATOM 0 HB3 ALA A 82 5.732 -11.719 9.756 1.00 0.00 H new ATOM 1233 N ASP A 83 7.417 -14.517 8.318 1.00 0.00 N ATOM 1234 CA ASP A 83 8.190 -15.631 8.839 1.00 0.00 C ATOM 1235 C ASP A 83 8.889 -15.201 10.130 1.00 0.00 C ATOM 1236 O ASP A 83 9.334 -14.059 10.249 1.00 0.00 O ATOM 1237 CB ASP A 83 9.263 -16.073 7.843 1.00 0.00 C ATOM 1238 CG ASP A 83 9.802 -14.962 6.940 1.00 0.00 C ATOM 1239 OD1 ASP A 83 9.622 -13.784 7.319 1.00 0.00 O ATOM 1240 OD2 ASP A 83 10.384 -15.315 5.892 1.00 0.00 O ATOM 0 H ASP A 83 7.901 -13.952 7.621 1.00 0.00 H new ATOM 0 HA ASP A 83 7.506 -16.460 9.020 1.00 0.00 H new ATOM 0 HB2 ASP A 83 10.096 -16.507 8.397 1.00 0.00 H new ATOM 0 HB3 ASP A 83 8.852 -16.864 7.215 1.00 0.00 H new ATOM 1245 N GLU A 84 8.967 -16.137 11.064 1.00 0.00 N ATOM 1246 CA GLU A 84 9.606 -15.869 12.341 1.00 0.00 C ATOM 1247 C GLU A 84 10.861 -15.018 12.138 1.00 0.00 C ATOM 1248 O GLU A 84 11.232 -14.235 13.011 1.00 0.00 O ATOM 1249 CB GLU A 84 9.938 -17.171 13.072 1.00 0.00 C ATOM 1250 CG GLU A 84 8.797 -17.583 14.007 1.00 0.00 C ATOM 1251 CD GLU A 84 9.142 -18.867 14.761 1.00 0.00 C ATOM 1252 OE1 GLU A 84 8.840 -19.948 14.209 1.00 0.00 O ATOM 1253 OE2 GLU A 84 9.701 -18.742 15.871 1.00 0.00 O ATOM 0 H GLU A 84 8.598 -17.082 10.962 1.00 0.00 H new ATOM 0 HA GLU A 84 8.908 -15.309 12.964 1.00 0.00 H new ATOM 0 HB2 GLU A 84 10.122 -17.963 12.346 1.00 0.00 H new ATOM 0 HB3 GLU A 84 10.856 -17.046 13.646 1.00 0.00 H new ATOM 0 HG2 GLU A 84 8.598 -16.782 14.719 1.00 0.00 H new ATOM 0 HG3 GLU A 84 7.884 -17.730 13.430 1.00 0.00 H new ATOM 1260 N THR A 85 11.481 -15.203 10.982 1.00 0.00 N ATOM 1261 CA THR A 85 12.687 -14.462 10.654 1.00 0.00 C ATOM 1262 C THR A 85 12.373 -12.973 10.494 1.00 0.00 C ATOM 1263 O THR A 85 13.140 -12.121 10.937 1.00 0.00 O ATOM 1264 CB THR A 85 13.303 -15.091 9.402 1.00 0.00 C ATOM 1265 OG1 THR A 85 14.682 -14.739 9.478 1.00 0.00 O ATOM 1266 CG2 THR A 85 12.818 -14.424 8.113 1.00 0.00 C ATOM 0 H THR A 85 11.171 -15.855 10.261 1.00 0.00 H new ATOM 0 HA THR A 85 13.419 -14.522 11.460 1.00 0.00 H new ATOM 0 HB THR A 85 13.062 -16.154 9.374 1.00 0.00 H new ATOM 0 HG1 THR A 85 15.157 -15.108 8.705 1.00 0.00 H new ATOM 0 HG21 THR A 85 13.285 -14.908 7.255 1.00 0.00 H new ATOM 0 HG22 THR A 85 11.735 -14.520 8.039 1.00 0.00 H new ATOM 0 HG23 THR A 85 13.088 -13.368 8.126 1.00 0.00 H new ATOM 1274 N MET A 86 11.241 -12.705 9.858 1.00 0.00 N ATOM 1275 CA MET A 86 10.815 -11.334 9.635 1.00 0.00 C ATOM 1276 C MET A 86 10.943 -10.505 10.913 1.00 0.00 C ATOM 1277 O MET A 86 11.308 -9.331 10.862 1.00 0.00 O ATOM 1278 CB MET A 86 9.361 -11.323 9.160 1.00 0.00 C ATOM 1279 CG MET A 86 8.439 -10.745 10.236 1.00 0.00 C ATOM 1280 SD MET A 86 7.935 -12.035 11.365 1.00 0.00 S ATOM 1281 CE MET A 86 7.329 -11.041 12.718 1.00 0.00 C ATOM 0 H MET A 86 10.607 -13.414 9.490 1.00 0.00 H new ATOM 0 HA MET A 86 11.458 -10.892 8.874 1.00 0.00 H new ATOM 0 HB2 MET A 86 9.277 -10.732 8.248 1.00 0.00 H new ATOM 0 HB3 MET A 86 9.047 -12.337 8.913 1.00 0.00 H new ATOM 0 HG2 MET A 86 8.954 -9.954 10.781 1.00 0.00 H new ATOM 0 HG3 MET A 86 7.562 -10.294 9.771 1.00 0.00 H new ATOM 0 HE1 MET A 86 7.853 -11.315 13.634 1.00 0.00 H new ATOM 0 HE2 MET A 86 7.503 -9.987 12.502 1.00 0.00 H new ATOM 0 HE3 MET A 86 6.260 -11.213 12.846 1.00 0.00 H new ATOM 1291 N ALA A 87 10.634 -11.147 12.031 1.00 0.00 N ATOM 1292 CA ALA A 87 10.709 -10.483 13.320 1.00 0.00 C ATOM 1293 C ALA A 87 12.057 -9.770 13.444 1.00 0.00 C ATOM 1294 O ALA A 87 12.113 -8.597 13.809 1.00 0.00 O ATOM 1295 CB ALA A 87 10.486 -11.506 14.435 1.00 0.00 C ATOM 0 H ALA A 87 10.331 -12.120 12.070 1.00 0.00 H new ATOM 0 HA ALA A 87 9.928 -9.728 13.409 1.00 0.00 H new ATOM 0 HB1 ALA A 87 10.542 -11.008 15.403 1.00 0.00 H new ATOM 0 HB2 ALA A 87 9.503 -11.963 14.319 1.00 0.00 H new ATOM 0 HB3 ALA A 87 11.253 -12.278 14.379 1.00 0.00 H new ATOM 1301 N GLN A 88 13.113 -10.509 13.133 1.00 0.00 N ATOM 1302 CA GLN A 88 14.457 -9.962 13.206 1.00 0.00 C ATOM 1303 C GLN A 88 14.887 -9.429 11.838 1.00 0.00 C ATOM 1304 O GLN A 88 15.426 -8.329 11.738 1.00 0.00 O ATOM 1305 CB GLN A 88 15.446 -11.008 13.722 1.00 0.00 C ATOM 1306 CG GLN A 88 16.885 -10.497 13.625 1.00 0.00 C ATOM 1307 CD GLN A 88 17.716 -11.370 12.684 1.00 0.00 C ATOM 1308 OE1 GLN A 88 17.484 -11.147 11.393 1.00 0.00 O flip ATOM 1309 NE2 GLN A 88 18.514 -12.194 13.102 1.00 0.00 N flip ATOM 0 H GLN A 88 13.064 -11.482 12.830 1.00 0.00 H new ATOM 0 HA GLN A 88 14.454 -9.132 13.913 1.00 0.00 H new ATOM 0 HB2 GLN A 88 15.213 -11.254 14.758 1.00 0.00 H new ATOM 0 HB3 GLN A 88 15.343 -11.927 13.145 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.885 -9.468 13.267 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.339 -10.490 14.616 1.00 0.00 H new ATOM 0 HE21 GLN A 88 18.644 -12.315 14.107 1.00 0.00 H new ATOM 0 HE22 GLN A 88 19.051 -12.762 12.447 1.00 0.00 H new ATOM 1318 N GLN A 89 14.633 -10.236 10.816 1.00 0.00 N ATOM 1319 CA GLN A 89 14.988 -9.859 9.459 1.00 0.00 C ATOM 1320 C GLN A 89 14.616 -8.397 9.200 1.00 0.00 C ATOM 1321 O GLN A 89 15.483 -7.577 8.902 1.00 0.00 O ATOM 1322 CB GLN A 89 14.316 -10.784 8.441 1.00 0.00 C ATOM 1323 CG GLN A 89 15.274 -11.886 7.986 1.00 0.00 C ATOM 1324 CD GLN A 89 15.102 -12.182 6.495 1.00 0.00 C ATOM 1325 OE1 GLN A 89 14.166 -12.842 6.071 1.00 0.00 O ATOM 1326 NE2 GLN A 89 16.052 -11.660 5.725 1.00 0.00 N ATOM 0 H GLN A 89 14.186 -11.149 10.902 1.00 0.00 H new ATOM 0 HA GLN A 89 16.067 -9.965 9.342 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.425 -11.231 8.883 1.00 0.00 H new ATOM 0 HB3 GLN A 89 13.987 -10.204 7.579 1.00 0.00 H new ATOM 0 HG2 GLN A 89 16.302 -11.583 8.184 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.092 -12.792 8.564 1.00 0.00 H new ATOM 0 HE21 GLN A 89 16.808 -11.118 6.144 1.00 0.00 H new ATOM 0 HE22 GLN A 89 16.025 -11.802 4.715 1.00 0.00 H new ATOM 1335 N LEU A 90 13.328 -8.116 9.323 1.00 0.00 N ATOM 1336 CA LEU A 90 12.831 -6.768 9.106 1.00 0.00 C ATOM 1337 C LEU A 90 13.744 -5.772 9.823 1.00 0.00 C ATOM 1338 O LEU A 90 14.115 -4.744 9.258 1.00 0.00 O ATOM 1339 CB LEU A 90 11.362 -6.665 9.521 1.00 0.00 C ATOM 1340 CG LEU A 90 10.336 -7.034 8.447 1.00 0.00 C ATOM 1341 CD1 LEU A 90 10.616 -8.425 7.876 1.00 0.00 C ATOM 1342 CD2 LEU A 90 8.910 -6.913 8.990 1.00 0.00 C ATOM 0 H LEU A 90 12.612 -8.799 9.570 1.00 0.00 H new ATOM 0 HA LEU A 90 12.856 -6.518 8.045 1.00 0.00 H new ATOM 0 HB2 LEU A 90 11.203 -7.310 10.385 1.00 0.00 H new ATOM 0 HB3 LEU A 90 11.167 -5.643 9.846 1.00 0.00 H new ATOM 0 HG LEU A 90 10.430 -6.325 7.625 1.00 0.00 H new ATOM 0 HD11 LEU A 90 9.872 -8.662 7.115 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.610 -8.442 7.430 1.00 0.00 H new ATOM 0 HD13 LEU A 90 10.565 -9.164 8.676 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.199 -7.180 8.208 1.00 0.00 H new ATOM 0 HD22 LEU A 90 8.786 -7.585 9.839 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.728 -5.887 9.310 1.00 0.00 H new ATOM 1354 N VAL A 91 14.082 -6.110 11.059 1.00 0.00 N ATOM 1355 CA VAL A 91 14.945 -5.259 11.860 1.00 0.00 C ATOM 1356 C VAL A 91 16.224 -4.957 11.077 1.00 0.00 C ATOM 1357 O VAL A 91 16.963 -4.034 11.419 1.00 0.00 O ATOM 1358 CB VAL A 91 15.214 -5.914 13.216 1.00 0.00 C ATOM 1359 CG1 VAL A 91 15.739 -4.890 14.225 1.00 0.00 C ATOM 1360 CG2 VAL A 91 13.961 -6.613 13.747 1.00 0.00 C ATOM 0 H VAL A 91 13.773 -6.963 11.526 1.00 0.00 H new ATOM 0 HA VAL A 91 14.457 -4.306 12.066 1.00 0.00 H new ATOM 0 HB VAL A 91 15.985 -6.671 13.074 1.00 0.00 H new ATOM 0 HG11 VAL A 91 15.922 -5.382 15.180 1.00 0.00 H new ATOM 0 HG12 VAL A 91 16.669 -4.458 13.855 1.00 0.00 H new ATOM 0 HG13 VAL A 91 15.000 -4.100 14.359 1.00 0.00 H new ATOM 0 HG21 VAL A 91 14.181 -7.070 14.712 1.00 0.00 H new ATOM 0 HG22 VAL A 91 13.160 -5.883 13.865 1.00 0.00 H new ATOM 0 HG23 VAL A 91 13.649 -7.384 13.043 1.00 0.00 H new ATOM 1370 N ASP A 92 16.448 -5.751 10.040 1.00 0.00 N ATOM 1371 CA ASP A 92 17.625 -5.580 9.208 1.00 0.00 C ATOM 1372 C ASP A 92 17.406 -4.402 8.257 1.00 0.00 C ATOM 1373 O ASP A 92 18.036 -3.356 8.404 1.00 0.00 O ATOM 1374 CB ASP A 92 17.887 -6.827 8.360 1.00 0.00 C ATOM 1375 CG ASP A 92 17.994 -8.134 9.149 1.00 0.00 C ATOM 1376 OD1 ASP A 92 17.406 -8.182 10.252 1.00 0.00 O ATOM 1377 OD2 ASP A 92 18.659 -9.057 8.632 1.00 0.00 O ATOM 0 H ASP A 92 15.833 -6.515 9.758 1.00 0.00 H new ATOM 0 HA ASP A 92 18.477 -5.403 9.864 1.00 0.00 H new ATOM 0 HB2 ASP A 92 17.085 -6.926 7.629 1.00 0.00 H new ATOM 0 HB3 ASP A 92 18.811 -6.681 7.801 1.00 0.00 H new ATOM 1382 N ILE A 93 16.509 -4.609 7.305 1.00 0.00 N ATOM 1383 CA ILE A 93 16.197 -3.576 6.330 1.00 0.00 C ATOM 1384 C ILE A 93 15.533 -2.395 7.041 1.00 0.00 C ATOM 1385 O ILE A 93 15.908 -1.243 6.821 1.00 0.00 O ATOM 1386 CB ILE A 93 15.362 -4.153 5.186 1.00 0.00 C ATOM 1387 CG1 ILE A 93 13.867 -3.976 5.456 1.00 0.00 C ATOM 1388 CG2 ILE A 93 15.729 -5.615 4.923 1.00 0.00 C ATOM 1389 CD1 ILE A 93 13.355 -5.038 6.432 1.00 0.00 C ATOM 0 H ILE A 93 15.987 -5.477 7.187 1.00 0.00 H new ATOM 0 HA ILE A 93 17.110 -3.199 5.868 1.00 0.00 H new ATOM 0 HB ILE A 93 15.593 -3.595 4.278 1.00 0.00 H new ATOM 0 HG12 ILE A 93 13.683 -2.983 5.865 1.00 0.00 H new ATOM 0 HG13 ILE A 93 13.314 -4.042 4.519 1.00 0.00 H new ATOM 0 HG21 ILE A 93 15.121 -6.001 4.105 1.00 0.00 H new ATOM 0 HG22 ILE A 93 16.783 -5.683 4.655 1.00 0.00 H new ATOM 0 HG23 ILE A 93 15.545 -6.204 5.822 1.00 0.00 H new ATOM 0 HD11 ILE A 93 12.289 -4.889 6.606 1.00 0.00 H new ATOM 0 HD12 ILE A 93 13.518 -6.029 6.009 1.00 0.00 H new ATOM 0 HD13 ILE A 93 13.892 -4.953 7.377 1.00 0.00 H new ATOM 1401 N ILE A 94 14.562 -2.721 7.880 1.00 0.00 N ATOM 1402 CA ILE A 94 13.842 -1.700 8.624 1.00 0.00 C ATOM 1403 C ILE A 94 14.847 -0.801 9.348 1.00 0.00 C ATOM 1404 O ILE A 94 14.545 0.351 9.653 1.00 0.00 O ATOM 1405 CB ILE A 94 12.810 -2.344 9.554 1.00 0.00 C ATOM 1406 CG1 ILE A 94 11.812 -3.190 8.761 1.00 0.00 C ATOM 1407 CG2 ILE A 94 12.112 -1.285 10.411 1.00 0.00 C ATOM 1408 CD1 ILE A 94 10.382 -2.955 9.255 1.00 0.00 C ATOM 0 H ILE A 94 14.256 -3.677 8.062 1.00 0.00 H new ATOM 0 HA ILE A 94 13.273 -1.063 7.947 1.00 0.00 H new ATOM 0 HB ILE A 94 13.332 -3.017 10.234 1.00 0.00 H new ATOM 0 HG12 ILE A 94 11.880 -2.942 7.702 1.00 0.00 H new ATOM 0 HG13 ILE A 94 12.066 -4.246 8.859 1.00 0.00 H new ATOM 0 HG21 ILE A 94 11.384 -1.767 11.063 1.00 0.00 H new ATOM 0 HG22 ILE A 94 12.852 -0.762 11.017 1.00 0.00 H new ATOM 0 HG23 ILE A 94 11.603 -0.571 9.764 1.00 0.00 H new ATOM 0 HD11 ILE A 94 9.692 -3.568 8.675 1.00 0.00 H new ATOM 0 HD12 ILE A 94 10.312 -3.227 10.308 1.00 0.00 H new ATOM 0 HD13 ILE A 94 10.123 -1.903 9.133 1.00 0.00 H new ATOM 1420 N HIS A 95 16.019 -1.363 9.604 1.00 0.00 N ATOM 1421 CA HIS A 95 17.068 -0.626 10.287 1.00 0.00 C ATOM 1422 C HIS A 95 17.723 0.356 9.312 1.00 0.00 C ATOM 1423 O HIS A 95 18.173 1.428 9.714 1.00 0.00 O ATOM 1424 CB HIS A 95 18.075 -1.583 10.929 1.00 0.00 C ATOM 1425 CG HIS A 95 17.858 -1.801 12.407 1.00 0.00 C ATOM 1426 ND1 HIS A 95 18.901 -1.915 13.310 1.00 0.00 N ATOM 1427 CD2 HIS A 95 16.708 -1.922 13.130 1.00 0.00 C ATOM 1428 CE1 HIS A 95 18.391 -2.098 14.518 1.00 0.00 C ATOM 1429 NE2 HIS A 95 17.031 -2.104 14.405 1.00 0.00 N ATOM 0 H HIS A 95 16.265 -2.320 9.351 1.00 0.00 H new ATOM 0 HA HIS A 95 16.637 -0.044 11.102 1.00 0.00 H new ATOM 0 HB2 HIS A 95 18.023 -2.545 10.419 1.00 0.00 H new ATOM 0 HB3 HIS A 95 19.081 -1.194 10.773 1.00 0.00 H new ATOM 0 HD2 HIS A 95 15.705 -1.877 12.733 1.00 0.00 H new ATOM 0 HE1 HIS A 95 18.953 -2.221 15.432 1.00 0.00 H new ATOM 0 HE2 HIS A 95 16.371 -2.228 15.173 1.00 0.00 H new ATOM 1438 N GLY A 96 17.755 -0.045 8.050 1.00 0.00 N ATOM 1439 CA GLY A 96 18.346 0.786 7.016 1.00 0.00 C ATOM 1440 C GLY A 96 17.306 1.726 6.405 1.00 0.00 C ATOM 1441 O GLY A 96 17.652 2.774 5.864 1.00 0.00 O ATOM 0 H GLY A 96 17.381 -0.935 7.720 1.00 0.00 H new ATOM 0 HA2 GLY A 96 19.165 1.369 7.437 1.00 0.00 H new ATOM 0 HA3 GLY A 96 18.772 0.154 6.237 1.00 0.00 H new ATOM 1445 N CYS A 97 16.050 1.317 6.513 1.00 0.00 N ATOM 1446 CA CYS A 97 14.956 2.109 5.978 1.00 0.00 C ATOM 1447 C CYS A 97 14.497 3.087 7.062 1.00 0.00 C ATOM 1448 O CYS A 97 14.610 4.301 6.895 1.00 0.00 O ATOM 1449 CB CYS A 97 13.809 1.227 5.483 1.00 0.00 C ATOM 1450 SG CYS A 97 13.654 1.122 3.662 1.00 0.00 S ATOM 0 H CYS A 97 15.766 0.447 6.963 1.00 0.00 H new ATOM 0 HA CYS A 97 15.299 2.668 5.107 1.00 0.00 H new ATOM 0 HB2 CYS A 97 13.945 0.221 5.881 1.00 0.00 H new ATOM 0 HB3 CYS A 97 12.873 1.608 5.892 1.00 0.00 H new ATOM 1455 N GLU A 98 13.989 2.523 8.148 1.00 0.00 N ATOM 1456 CA GLU A 98 13.513 3.329 9.259 1.00 0.00 C ATOM 1457 C GLU A 98 14.522 4.433 9.583 1.00 0.00 C ATOM 1458 O GLU A 98 14.139 5.527 9.995 1.00 0.00 O ATOM 1459 CB GLU A 98 13.235 2.462 10.487 1.00 0.00 C ATOM 1460 CG GLU A 98 12.301 3.177 11.464 1.00 0.00 C ATOM 1461 CD GLU A 98 12.665 2.848 12.913 1.00 0.00 C ATOM 1462 OE1 GLU A 98 13.584 3.517 13.433 1.00 0.00 O ATOM 1463 OE2 GLU A 98 12.016 1.936 13.469 1.00 0.00 O ATOM 0 H GLU A 98 13.897 1.516 8.282 1.00 0.00 H new ATOM 0 HA GLU A 98 12.573 3.797 8.967 1.00 0.00 H new ATOM 0 HB2 GLU A 98 12.788 1.518 10.176 1.00 0.00 H new ATOM 0 HB3 GLU A 98 14.174 2.221 10.986 1.00 0.00 H new ATOM 0 HG2 GLU A 98 12.360 4.254 11.306 1.00 0.00 H new ATOM 0 HG3 GLU A 98 11.270 2.882 11.269 1.00 0.00 H new ATOM 1470 N LYS A 99 15.791 4.108 9.386 1.00 0.00 N ATOM 1471 CA LYS A 99 16.857 5.058 9.653 1.00 0.00 C ATOM 1472 C LYS A 99 16.887 6.110 8.543 1.00 0.00 C ATOM 1473 O LYS A 99 17.242 7.263 8.784 1.00 0.00 O ATOM 1474 CB LYS A 99 18.188 4.330 9.846 1.00 0.00 C ATOM 1475 CG LYS A 99 18.763 3.873 8.503 1.00 0.00 C ATOM 1476 CD LYS A 99 20.271 3.639 8.603 1.00 0.00 C ATOM 1477 CE LYS A 99 20.957 3.900 7.260 1.00 0.00 C ATOM 1478 NZ LYS A 99 22.419 3.701 7.377 1.00 0.00 N ATOM 0 H LYS A 99 16.105 3.200 9.044 1.00 0.00 H new ATOM 0 HA LYS A 99 16.671 5.586 10.588 1.00 0.00 H new ATOM 0 HB2 LYS A 99 18.898 4.990 10.344 1.00 0.00 H new ATOM 0 HB3 LYS A 99 18.044 3.467 10.496 1.00 0.00 H new ATOM 0 HG2 LYS A 99 18.269 2.955 8.186 1.00 0.00 H new ATOM 0 HG3 LYS A 99 18.558 4.625 7.741 1.00 0.00 H new ATOM 0 HD2 LYS A 99 20.694 4.294 9.365 1.00 0.00 H new ATOM 0 HD3 LYS A 99 20.463 2.614 8.921 1.00 0.00 H new ATOM 0 HE2 LYS A 99 20.552 3.229 6.502 1.00 0.00 H new ATOM 0 HE3 LYS A 99 20.748 4.918 6.930 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 22.869 3.882 6.457 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 22.803 4.358 8.086 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 22.614 2.723 7.671 1.00 0.00 H new ATOM 1492 N SER A 100 16.509 5.675 7.350 1.00 0.00 N ATOM 1493 CA SER A 100 16.487 6.565 6.201 1.00 0.00 C ATOM 1494 C SER A 100 15.083 7.146 6.015 1.00 0.00 C ATOM 1495 O SER A 100 14.873 8.008 5.162 1.00 0.00 O ATOM 1496 CB SER A 100 16.934 5.838 4.932 1.00 0.00 C ATOM 1497 OG SER A 100 18.063 6.462 4.327 1.00 0.00 O ATOM 0 H SER A 100 16.215 4.718 7.154 1.00 0.00 H new ATOM 0 HA SER A 100 17.188 7.379 6.386 1.00 0.00 H new ATOM 0 HB2 SER A 100 17.178 4.804 5.174 1.00 0.00 H new ATOM 0 HB3 SER A 100 16.109 5.812 4.220 1.00 0.00 H new ATOM 0 HG SER A 100 18.318 5.966 3.521 1.00 0.00 H new ATOM 1503 N ALA A 101 14.161 6.649 6.824 1.00 0.00 N ATOM 1504 CA ALA A 101 12.783 7.106 6.760 1.00 0.00 C ATOM 1505 C ALA A 101 12.426 7.822 8.064 1.00 0.00 C ATOM 1506 O ALA A 101 11.854 7.220 8.971 1.00 0.00 O ATOM 1507 CB ALA A 101 11.863 5.919 6.476 1.00 0.00 C ATOM 0 H ALA A 101 14.340 5.933 7.528 1.00 0.00 H new ATOM 0 HA ALA A 101 12.654 7.820 5.946 1.00 0.00 H new ATOM 0 HB1 ALA A 101 10.830 6.263 6.428 1.00 0.00 H new ATOM 0 HB2 ALA A 101 12.139 5.465 5.524 1.00 0.00 H new ATOM 0 HB3 ALA A 101 11.964 5.182 7.273 1.00 0.00 H new ATOM 1513 N PRO A 102 12.787 9.133 8.119 1.00 0.00 N ATOM 1514 CA PRO A 102 12.511 9.936 9.297 1.00 0.00 C ATOM 1515 C PRO A 102 11.028 10.307 9.372 1.00 0.00 C ATOM 1516 O PRO A 102 10.258 9.984 8.471 1.00 0.00 O ATOM 1517 CB PRO A 102 13.420 11.149 9.169 1.00 0.00 C ATOM 1518 CG PRO A 102 13.828 11.210 7.705 1.00 0.00 C ATOM 1519 CD PRO A 102 13.467 9.880 7.064 1.00 0.00 C ATOM 0 HA PRO A 102 12.710 9.402 10.226 1.00 0.00 H new ATOM 0 HB2 PRO A 102 12.901 12.060 9.468 1.00 0.00 H new ATOM 0 HB3 PRO A 102 14.293 11.053 9.814 1.00 0.00 H new ATOM 0 HG2 PRO A 102 13.315 12.029 7.200 1.00 0.00 H new ATOM 0 HG3 PRO A 102 14.898 11.399 7.615 1.00 0.00 H new ATOM 0 HD2 PRO A 102 12.820 10.020 6.198 1.00 0.00 H new ATOM 0 HD3 PRO A 102 14.356 9.354 6.716 1.00 0.00 H new ATOM 1527 N PRO A 103 10.665 10.998 10.486 1.00 0.00 N ATOM 1528 CA PRO A 103 9.289 11.417 10.691 1.00 0.00 C ATOM 1529 C PRO A 103 8.937 12.607 9.795 1.00 0.00 C ATOM 1530 O PRO A 103 8.350 13.584 10.258 1.00 0.00 O ATOM 1531 CB PRO A 103 9.193 11.739 12.174 1.00 0.00 C ATOM 1532 CG PRO A 103 10.622 11.937 12.650 1.00 0.00 C ATOM 1533 CD PRO A 103 11.552 11.399 11.575 1.00 0.00 C ATOM 0 HA PRO A 103 8.569 10.646 10.417 1.00 0.00 H new ATOM 0 HB2 PRO A 103 8.598 12.637 12.341 1.00 0.00 H new ATOM 0 HB3 PRO A 103 8.708 10.929 12.719 1.00 0.00 H new ATOM 0 HG2 PRO A 103 10.820 12.993 12.832 1.00 0.00 H new ATOM 0 HG3 PRO A 103 10.786 11.415 13.593 1.00 0.00 H new ATOM 0 HD2 PRO A 103 12.262 12.159 11.248 1.00 0.00 H new ATOM 0 HD3 PRO A 103 12.136 10.555 11.942 1.00 0.00 H new ATOM 1541 N ASN A 104 9.311 12.483 8.530 1.00 0.00 N ATOM 1542 CA ASN A 104 9.043 13.537 7.566 1.00 0.00 C ATOM 1543 C ASN A 104 7.530 13.709 7.413 1.00 0.00 C ATOM 1544 O ASN A 104 6.787 12.729 7.408 1.00 0.00 O ATOM 1545 CB ASN A 104 9.620 13.187 6.192 1.00 0.00 C ATOM 1546 CG ASN A 104 9.944 14.452 5.395 1.00 0.00 C ATOM 1547 OD1 ASN A 104 9.086 15.072 4.791 1.00 0.00 O ATOM 1548 ND2 ASN A 104 11.228 14.796 5.427 1.00 0.00 N ATOM 0 H ASN A 104 9.797 11.670 8.151 1.00 0.00 H new ATOM 0 HA ASN A 104 9.508 14.453 7.930 1.00 0.00 H new ATOM 0 HB2 ASN A 104 10.523 12.589 6.314 1.00 0.00 H new ATOM 0 HB3 ASN A 104 8.906 12.577 5.638 1.00 0.00 H new ATOM 0 HD21 ASN A 104 11.547 15.625 4.925 1.00 0.00 H new ATOM 0 HD22 ASN A 104 11.894 14.231 5.953 1.00 0.00 H new ATOM 1555 N ASP A 105 7.119 14.964 7.292 1.00 0.00 N ATOM 1556 CA ASP A 105 5.708 15.278 7.139 1.00 0.00 C ATOM 1557 C ASP A 105 5.157 14.543 5.917 1.00 0.00 C ATOM 1558 O ASP A 105 3.945 14.392 5.773 1.00 0.00 O ATOM 1559 CB ASP A 105 5.498 16.777 6.926 1.00 0.00 C ATOM 1560 CG ASP A 105 5.827 17.656 8.135 1.00 0.00 C ATOM 1561 OD1 ASP A 105 5.167 17.457 9.177 1.00 0.00 O ATOM 1562 OD2 ASP A 105 6.732 18.506 7.989 1.00 0.00 O ATOM 0 H ASP A 105 7.738 15.774 7.297 1.00 0.00 H new ATOM 0 HA ASP A 105 5.192 14.968 8.048 1.00 0.00 H new ATOM 0 HB2 ASP A 105 6.112 17.098 6.085 1.00 0.00 H new ATOM 0 HB3 ASP A 105 4.459 16.946 6.645 1.00 0.00 H new ATOM 1567 N ASP A 106 6.073 14.106 5.065 1.00 0.00 N ATOM 1568 CA ASP A 106 5.694 13.391 3.858 1.00 0.00 C ATOM 1569 C ASP A 106 5.402 11.930 4.206 1.00 0.00 C ATOM 1570 O ASP A 106 5.660 11.033 3.405 1.00 0.00 O ATOM 1571 CB ASP A 106 6.821 13.416 2.826 1.00 0.00 C ATOM 1572 CG ASP A 106 6.934 14.711 2.020 1.00 0.00 C ATOM 1573 OD1 ASP A 106 6.838 15.784 2.654 1.00 0.00 O ATOM 1574 OD2 ASP A 106 7.114 14.599 0.788 1.00 0.00 O ATOM 0 H ASP A 106 7.078 14.233 5.187 1.00 0.00 H new ATOM 0 HA ASP A 106 4.813 13.878 3.440 1.00 0.00 H new ATOM 0 HB2 ASP A 106 7.767 13.242 3.339 1.00 0.00 H new ATOM 0 HB3 ASP A 106 6.677 12.587 2.133 1.00 0.00 H new ATOM 1579 N LYS A 107 4.867 11.736 5.403 1.00 0.00 N ATOM 1580 CA LYS A 107 4.537 10.399 5.867 1.00 0.00 C ATOM 1581 C LYS A 107 3.939 9.596 4.710 1.00 0.00 C ATOM 1582 O LYS A 107 4.028 8.369 4.690 1.00 0.00 O ATOM 1583 CB LYS A 107 3.635 10.467 7.100 1.00 0.00 C ATOM 1584 CG LYS A 107 2.354 11.250 6.801 1.00 0.00 C ATOM 1585 CD LYS A 107 1.247 10.890 7.794 1.00 0.00 C ATOM 1586 CE LYS A 107 1.064 11.997 8.834 1.00 0.00 C ATOM 1587 NZ LYS A 107 2.130 11.928 9.857 1.00 0.00 N ATOM 0 H LYS A 107 4.654 12.482 6.065 1.00 0.00 H new ATOM 0 HA LYS A 107 5.437 9.874 6.188 1.00 0.00 H new ATOM 0 HB2 LYS A 107 3.381 9.458 7.425 1.00 0.00 H new ATOM 0 HB3 LYS A 107 4.172 10.941 7.922 1.00 0.00 H new ATOM 0 HG2 LYS A 107 2.558 12.320 6.850 1.00 0.00 H new ATOM 0 HG3 LYS A 107 2.021 11.035 5.786 1.00 0.00 H new ATOM 0 HD2 LYS A 107 0.311 10.730 7.259 1.00 0.00 H new ATOM 0 HD3 LYS A 107 1.492 9.953 8.294 1.00 0.00 H new ATOM 0 HE2 LYS A 107 1.084 12.971 8.345 1.00 0.00 H new ATOM 0 HE3 LYS A 107 0.088 11.899 9.310 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 1.981 12.676 10.564 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 2.103 10.999 10.324 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 3.056 12.061 9.403 1.00 0.00 H new ATOM 1601 N CYS A 108 3.342 10.320 3.776 1.00 0.00 N ATOM 1602 CA CYS A 108 2.728 9.689 2.618 1.00 0.00 C ATOM 1603 C CYS A 108 3.813 8.925 1.857 1.00 0.00 C ATOM 1604 O CYS A 108 3.647 7.746 1.550 1.00 0.00 O ATOM 1605 CB CYS A 108 2.018 10.711 1.729 1.00 0.00 C ATOM 1606 SG CYS A 108 0.884 9.990 0.487 1.00 0.00 S ATOM 0 H CYS A 108 3.270 11.337 3.796 1.00 0.00 H new ATOM 0 HA CYS A 108 1.956 8.992 2.945 1.00 0.00 H new ATOM 0 HB2 CYS A 108 1.453 11.393 2.364 1.00 0.00 H new ATOM 0 HB3 CYS A 108 2.770 11.306 1.211 1.00 0.00 H new ATOM 1611 N MET A 109 4.899 9.630 1.572 1.00 0.00 N ATOM 1612 CA MET A 109 6.010 9.033 0.851 1.00 0.00 C ATOM 1613 C MET A 109 7.166 8.707 1.799 1.00 0.00 C ATOM 1614 O MET A 109 8.165 8.120 1.385 1.00 0.00 O ATOM 1615 CB MET A 109 6.494 9.999 -0.233 1.00 0.00 C ATOM 1616 CG MET A 109 7.381 9.281 -1.252 1.00 0.00 C ATOM 1617 SD MET A 109 8.509 10.441 -2.005 1.00 0.00 S ATOM 1618 CE MET A 109 10.066 9.673 -1.592 1.00 0.00 C ATOM 0 H MET A 109 5.033 10.608 1.827 1.00 0.00 H new ATOM 0 HA MET A 109 5.666 8.105 0.395 1.00 0.00 H new ATOM 0 HB2 MET A 109 5.636 10.441 -0.740 1.00 0.00 H new ATOM 0 HB3 MET A 109 7.050 10.817 0.226 1.00 0.00 H new ATOM 0 HG2 MET A 109 7.940 8.484 -0.762 1.00 0.00 H new ATOM 0 HG3 MET A 109 6.763 8.813 -2.018 1.00 0.00 H new ATOM 0 HE1 MET A 109 10.884 10.273 -1.990 1.00 0.00 H new ATOM 0 HE2 MET A 109 10.161 9.603 -0.508 1.00 0.00 H new ATOM 0 HE3 MET A 109 10.105 8.673 -2.025 1.00 0.00 H new ATOM 1628 N LYS A 110 6.993 9.105 3.050 1.00 0.00 N ATOM 1629 CA LYS A 110 8.010 8.862 4.060 1.00 0.00 C ATOM 1630 C LYS A 110 7.764 7.498 4.707 1.00 0.00 C ATOM 1631 O LYS A 110 8.508 6.548 4.465 1.00 0.00 O ATOM 1632 CB LYS A 110 8.057 10.018 5.062 1.00 0.00 C ATOM 1633 CG LYS A 110 8.877 9.641 6.295 1.00 0.00 C ATOM 1634 CD LYS A 110 7.969 9.369 7.496 1.00 0.00 C ATOM 1635 CE LYS A 110 8.476 8.176 8.309 1.00 0.00 C ATOM 1636 NZ LYS A 110 8.421 8.475 9.757 1.00 0.00 N ATOM 0 H LYS A 110 6.164 9.594 3.388 1.00 0.00 H new ATOM 0 HA LYS A 110 8.999 8.825 3.603 1.00 0.00 H new ATOM 0 HB2 LYS A 110 8.491 10.898 4.587 1.00 0.00 H new ATOM 0 HB3 LYS A 110 7.044 10.285 5.362 1.00 0.00 H new ATOM 0 HG2 LYS A 110 9.477 8.757 6.081 1.00 0.00 H new ATOM 0 HG3 LYS A 110 9.571 10.447 6.535 1.00 0.00 H new ATOM 0 HD2 LYS A 110 7.925 10.254 8.131 1.00 0.00 H new ATOM 0 HD3 LYS A 110 6.954 9.173 7.152 1.00 0.00 H new ATOM 0 HE2 LYS A 110 7.871 7.296 8.090 1.00 0.00 H new ATOM 0 HE3 LYS A 110 9.500 7.939 8.019 1.00 0.00 H new ATOM 0 HZ1 LYS A 110 8.282 7.592 10.289 1.00 0.00 H new ATOM 0 HZ2 LYS A 110 9.313 8.921 10.054 1.00 0.00 H new ATOM 0 HZ3 LYS A 110 7.630 9.123 9.948 1.00 0.00 H new ATOM 1650 N THR A 111 6.718 7.443 5.519 1.00 0.00 N ATOM 1651 CA THR A 111 6.366 6.211 6.202 1.00 0.00 C ATOM 1652 C THR A 111 6.261 5.057 5.203 1.00 0.00 C ATOM 1653 O THR A 111 6.757 3.961 5.460 1.00 0.00 O ATOM 1654 CB THR A 111 5.073 6.457 6.984 1.00 0.00 C ATOM 1655 OG1 THR A 111 5.262 7.741 7.571 1.00 0.00 O ATOM 1656 CG2 THR A 111 4.926 5.517 8.183 1.00 0.00 C ATOM 0 H THR A 111 6.103 8.232 5.719 1.00 0.00 H new ATOM 0 HA THR A 111 7.141 5.917 6.910 1.00 0.00 H new ATOM 0 HB THR A 111 4.218 6.334 6.320 1.00 0.00 H new ATOM 0 HG1 THR A 111 4.648 7.849 8.327 1.00 0.00 H new ATOM 0 HG21 THR A 111 3.993 5.734 8.703 1.00 0.00 H new ATOM 0 HG22 THR A 111 4.917 4.484 7.836 1.00 0.00 H new ATOM 0 HG23 THR A 111 5.764 5.663 8.865 1.00 0.00 H new ATOM 1664 N ILE A 112 5.611 5.342 4.085 1.00 0.00 N ATOM 1665 CA ILE A 112 5.435 4.342 3.046 1.00 0.00 C ATOM 1666 C ILE A 112 6.775 3.658 2.768 1.00 0.00 C ATOM 1667 O ILE A 112 6.837 2.438 2.630 1.00 0.00 O ATOM 1668 CB ILE A 112 4.795 4.967 1.804 1.00 0.00 C ATOM 1669 CG1 ILE A 112 4.079 3.908 0.963 1.00 0.00 C ATOM 1670 CG2 ILE A 112 5.829 5.745 0.987 1.00 0.00 C ATOM 1671 CD1 ILE A 112 5.044 2.795 0.547 1.00 0.00 C ATOM 0 H ILE A 112 5.200 6.252 3.876 1.00 0.00 H new ATOM 0 HA ILE A 112 4.744 3.567 3.378 1.00 0.00 H new ATOM 0 HB ILE A 112 4.040 5.681 2.132 1.00 0.00 H new ATOM 0 HG12 ILE A 112 3.252 3.484 1.533 1.00 0.00 H new ATOM 0 HG13 ILE A 112 3.649 4.372 0.075 1.00 0.00 H new ATOM 0 HG21 ILE A 112 5.348 6.179 0.110 1.00 0.00 H new ATOM 0 HG22 ILE A 112 6.253 6.541 1.600 1.00 0.00 H new ATOM 0 HG23 ILE A 112 6.624 5.070 0.668 1.00 0.00 H new ATOM 0 HD11 ILE A 112 4.511 2.055 -0.050 1.00 0.00 H new ATOM 0 HD12 ILE A 112 5.856 3.219 -0.043 1.00 0.00 H new ATOM 0 HD13 ILE A 112 5.453 2.317 1.437 1.00 0.00 H new ATOM 1683 N ASP A 113 7.815 4.476 2.695 1.00 0.00 N ATOM 1684 CA ASP A 113 9.151 3.966 2.437 1.00 0.00 C ATOM 1685 C ASP A 113 9.385 2.712 3.283 1.00 0.00 C ATOM 1686 O ASP A 113 9.744 1.661 2.754 1.00 0.00 O ATOM 1687 CB ASP A 113 10.217 4.996 2.814 1.00 0.00 C ATOM 1688 CG ASP A 113 11.474 4.975 1.943 1.00 0.00 C ATOM 1689 OD1 ASP A 113 12.140 3.916 1.931 1.00 0.00 O ATOM 1690 OD2 ASP A 113 11.741 6.017 1.307 1.00 0.00 O ATOM 0 H ASP A 113 7.759 5.488 2.810 1.00 0.00 H new ATOM 0 HA ASP A 113 9.227 3.742 1.373 1.00 0.00 H new ATOM 0 HB2 ASP A 113 9.774 5.991 2.762 1.00 0.00 H new ATOM 0 HB3 ASP A 113 10.509 4.831 3.851 1.00 0.00 H new ATOM 1695 N VAL A 114 9.174 2.865 4.582 1.00 0.00 N ATOM 1696 CA VAL A 114 9.356 1.759 5.506 1.00 0.00 C ATOM 1697 C VAL A 114 8.215 0.757 5.328 1.00 0.00 C ATOM 1698 O VAL A 114 8.451 -0.442 5.184 1.00 0.00 O ATOM 1699 CB VAL A 114 9.472 2.286 6.937 1.00 0.00 C ATOM 1700 CG1 VAL A 114 10.416 1.413 7.768 1.00 0.00 C ATOM 1701 CG2 VAL A 114 9.925 3.748 6.948 1.00 0.00 C ATOM 0 H VAL A 114 8.878 3.739 5.017 1.00 0.00 H new ATOM 0 HA VAL A 114 10.286 1.232 5.292 1.00 0.00 H new ATOM 0 HB VAL A 114 8.483 2.238 7.393 1.00 0.00 H new ATOM 0 HG11 VAL A 114 10.481 1.810 8.781 1.00 0.00 H new ATOM 0 HG12 VAL A 114 10.033 0.393 7.801 1.00 0.00 H new ATOM 0 HG13 VAL A 114 11.407 1.414 7.314 1.00 0.00 H new ATOM 0 HG21 VAL A 114 9.999 4.098 7.978 1.00 0.00 H new ATOM 0 HG22 VAL A 114 10.899 3.831 6.465 1.00 0.00 H new ATOM 0 HG23 VAL A 114 9.200 4.358 6.409 1.00 0.00 H new ATOM 1711 N ALA A 115 6.999 1.285 5.341 1.00 0.00 N ATOM 1712 CA ALA A 115 5.820 0.451 5.184 1.00 0.00 C ATOM 1713 C ALA A 115 5.995 -0.446 3.956 1.00 0.00 C ATOM 1714 O ALA A 115 5.348 -1.486 3.846 1.00 0.00 O ATOM 1715 CB ALA A 115 4.577 1.339 5.085 1.00 0.00 C ATOM 0 H ALA A 115 6.806 2.280 5.458 1.00 0.00 H new ATOM 0 HA ALA A 115 5.690 -0.198 6.050 1.00 0.00 H new ATOM 0 HB1 ALA A 115 3.692 0.714 4.967 1.00 0.00 H new ATOM 0 HB2 ALA A 115 4.482 1.935 5.993 1.00 0.00 H new ATOM 0 HB3 ALA A 115 4.671 2.001 4.224 1.00 0.00 H new ATOM 1721 N MET A 116 6.873 -0.010 3.065 1.00 0.00 N ATOM 1722 CA MET A 116 7.141 -0.760 1.851 1.00 0.00 C ATOM 1723 C MET A 116 8.444 -1.554 1.972 1.00 0.00 C ATOM 1724 O MET A 116 8.546 -2.670 1.465 1.00 0.00 O ATOM 1725 CB MET A 116 7.238 0.202 0.666 1.00 0.00 C ATOM 1726 CG MET A 116 6.622 -0.411 -0.593 1.00 0.00 C ATOM 1727 SD MET A 116 4.847 -0.216 -0.562 1.00 0.00 S ATOM 1728 CE MET A 116 4.350 -1.798 -1.221 1.00 0.00 C ATOM 0 H MET A 116 7.408 0.853 3.160 1.00 0.00 H new ATOM 0 HA MET A 116 6.323 -1.463 1.694 1.00 0.00 H new ATOM 0 HB2 MET A 116 6.727 1.134 0.908 1.00 0.00 H new ATOM 0 HB3 MET A 116 8.283 0.450 0.480 1.00 0.00 H new ATOM 0 HG2 MET A 116 7.033 0.070 -1.480 1.00 0.00 H new ATOM 0 HG3 MET A 116 6.879 -1.468 -0.656 1.00 0.00 H new ATOM 0 HE1 MET A 116 3.285 -1.948 -1.043 1.00 0.00 H new ATOM 0 HE2 MET A 116 4.546 -1.823 -2.293 1.00 0.00 H new ATOM 0 HE3 MET A 116 4.915 -2.590 -0.730 1.00 0.00 H new ATOM 1738 N CYS A 117 9.408 -0.946 2.647 1.00 0.00 N ATOM 1739 CA CYS A 117 10.700 -1.581 2.842 1.00 0.00 C ATOM 1740 C CYS A 117 10.464 -3.044 3.221 1.00 0.00 C ATOM 1741 O CYS A 117 11.077 -3.944 2.650 1.00 0.00 O ATOM 1742 CB CYS A 117 11.539 -0.848 3.891 1.00 0.00 C ATOM 1743 SG CYS A 117 13.349 -0.995 3.666 1.00 0.00 S ATOM 0 H CYS A 117 9.320 -0.020 3.066 1.00 0.00 H new ATOM 0 HA CYS A 117 11.274 -1.534 1.916 1.00 0.00 H new ATOM 0 HB2 CYS A 117 11.270 0.208 3.878 1.00 0.00 H new ATOM 0 HB3 CYS A 117 11.277 -1.231 4.877 1.00 0.00 H new ATOM 1748 N PHE A 118 9.574 -3.236 4.183 1.00 0.00 N ATOM 1749 CA PHE A 118 9.249 -4.575 4.645 1.00 0.00 C ATOM 1750 C PHE A 118 8.560 -5.384 3.544 1.00 0.00 C ATOM 1751 O PHE A 118 8.818 -6.577 3.391 1.00 0.00 O ATOM 1752 CB PHE A 118 8.287 -4.419 5.825 1.00 0.00 C ATOM 1753 CG PHE A 118 7.488 -5.685 6.146 1.00 0.00 C ATOM 1754 CD1 PHE A 118 8.050 -6.909 5.963 1.00 0.00 C ATOM 1755 CD2 PHE A 118 6.215 -5.585 6.617 1.00 0.00 C ATOM 1756 CE1 PHE A 118 7.309 -8.082 6.262 1.00 0.00 C ATOM 1757 CE2 PHE A 118 5.474 -6.758 6.916 1.00 0.00 C ATOM 1758 CZ PHE A 118 6.037 -7.982 6.733 1.00 0.00 C ATOM 0 H PHE A 118 9.068 -2.487 4.655 1.00 0.00 H new ATOM 0 HA PHE A 118 10.160 -5.102 4.929 1.00 0.00 H new ATOM 0 HB2 PHE A 118 8.855 -4.126 6.708 1.00 0.00 H new ATOM 0 HB3 PHE A 118 7.592 -3.607 5.610 1.00 0.00 H new ATOM 0 HD1 PHE A 118 9.060 -6.989 5.590 1.00 0.00 H new ATOM 0 HD2 PHE A 118 5.768 -4.613 6.763 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.755 -9.054 6.115 1.00 0.00 H new ATOM 0 HE2 PHE A 118 4.463 -6.678 7.289 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.474 -8.875 6.962 1.00 0.00 H new ATOM 1768 N LYS A 119 7.699 -4.702 2.803 1.00 0.00 N ATOM 1769 CA LYS A 119 6.972 -5.342 1.721 1.00 0.00 C ATOM 1770 C LYS A 119 7.960 -5.796 0.646 1.00 0.00 C ATOM 1771 O LYS A 119 7.718 -6.780 -0.051 1.00 0.00 O ATOM 1772 CB LYS A 119 5.873 -4.416 1.193 1.00 0.00 C ATOM 1773 CG LYS A 119 4.496 -4.859 1.692 1.00 0.00 C ATOM 1774 CD LYS A 119 4.305 -4.496 3.166 1.00 0.00 C ATOM 1775 CE LYS A 119 3.449 -5.543 3.882 1.00 0.00 C ATOM 1776 NZ LYS A 119 2.015 -5.190 3.790 1.00 0.00 N ATOM 0 H LYS A 119 7.489 -3.712 2.931 1.00 0.00 H new ATOM 0 HA LYS A 119 6.461 -6.234 2.082 1.00 0.00 H new ATOM 0 HB2 LYS A 119 6.069 -3.393 1.515 1.00 0.00 H new ATOM 0 HB3 LYS A 119 5.886 -4.415 0.103 1.00 0.00 H new ATOM 0 HG2 LYS A 119 3.718 -4.385 1.093 1.00 0.00 H new ATOM 0 HG3 LYS A 119 4.387 -5.936 1.562 1.00 0.00 H new ATOM 0 HD2 LYS A 119 5.277 -4.420 3.654 1.00 0.00 H new ATOM 0 HD3 LYS A 119 3.831 -3.518 3.245 1.00 0.00 H new ATOM 0 HE2 LYS A 119 3.617 -6.524 3.438 1.00 0.00 H new ATOM 0 HE3 LYS A 119 3.747 -5.611 4.928 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 1.448 -5.911 4.281 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 1.856 -4.263 4.234 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 1.731 -5.148 2.790 1.00 0.00 H new ATOM 1790 N LYS A 120 9.057 -5.059 0.546 1.00 0.00 N ATOM 1791 CA LYS A 120 10.085 -5.374 -0.432 1.00 0.00 C ATOM 1792 C LYS A 120 10.661 -6.758 -0.132 1.00 0.00 C ATOM 1793 O LYS A 120 11.104 -7.461 -1.039 1.00 0.00 O ATOM 1794 CB LYS A 120 11.138 -4.265 -0.478 1.00 0.00 C ATOM 1795 CG LYS A 120 10.825 -3.256 -1.584 1.00 0.00 C ATOM 1796 CD LYS A 120 12.108 -2.773 -2.265 1.00 0.00 C ATOM 1797 CE LYS A 120 12.877 -1.806 -1.364 1.00 0.00 C ATOM 1798 NZ LYS A 120 14.257 -2.293 -1.139 1.00 0.00 N ATOM 0 H LYS A 120 9.256 -4.244 1.126 1.00 0.00 H new ATOM 0 HA LYS A 120 9.658 -5.417 -1.434 1.00 0.00 H new ATOM 0 HB2 LYS A 120 11.176 -3.755 0.484 1.00 0.00 H new ATOM 0 HB3 LYS A 120 12.123 -4.701 -0.647 1.00 0.00 H new ATOM 0 HG2 LYS A 120 10.167 -3.713 -2.323 1.00 0.00 H new ATOM 0 HG3 LYS A 120 10.289 -2.405 -1.164 1.00 0.00 H new ATOM 0 HD2 LYS A 120 12.739 -3.628 -2.508 1.00 0.00 H new ATOM 0 HD3 LYS A 120 11.861 -2.281 -3.206 1.00 0.00 H new ATOM 0 HE2 LYS A 120 12.904 -0.817 -1.821 1.00 0.00 H new ATOM 0 HE3 LYS A 120 12.362 -1.702 -0.409 1.00 0.00 H new ATOM 0 HZ1 LYS A 120 14.765 -1.625 -0.525 1.00 0.00 H new ATOM 0 HZ2 LYS A 120 14.225 -3.227 -0.683 1.00 0.00 H new ATOM 0 HZ3 LYS A 120 14.751 -2.370 -2.051 1.00 0.00 H new ATOM 1812 N GLU A 121 10.638 -7.110 1.146 1.00 0.00 N ATOM 1813 CA GLU A 121 11.153 -8.398 1.578 1.00 0.00 C ATOM 1814 C GLU A 121 10.370 -9.532 0.913 1.00 0.00 C ATOM 1815 O GLU A 121 10.899 -10.624 0.717 1.00 0.00 O ATOM 1816 CB GLU A 121 11.109 -8.522 3.102 1.00 0.00 C ATOM 1817 CG GLU A 121 11.843 -7.356 3.769 1.00 0.00 C ATOM 1818 CD GLU A 121 13.358 -7.498 3.607 1.00 0.00 C ATOM 1819 OE1 GLU A 121 13.908 -8.449 4.205 1.00 0.00 O ATOM 1820 OE2 GLU A 121 13.934 -6.652 2.888 1.00 0.00 O ATOM 0 H GLU A 121 10.270 -6.525 1.896 1.00 0.00 H new ATOM 0 HA GLU A 121 12.196 -8.473 1.270 1.00 0.00 H new ATOM 0 HB2 GLU A 121 10.073 -8.544 3.439 1.00 0.00 H new ATOM 0 HB3 GLU A 121 11.564 -9.465 3.407 1.00 0.00 H new ATOM 0 HG2 GLU A 121 11.513 -6.415 3.329 1.00 0.00 H new ATOM 0 HG3 GLU A 121 11.589 -7.320 4.828 1.00 0.00 H new ATOM 1827 N ILE A 122 9.121 -9.233 0.585 1.00 0.00 N ATOM 1828 CA ILE A 122 8.260 -10.213 -0.053 1.00 0.00 C ATOM 1829 C ILE A 122 8.697 -10.400 -1.507 1.00 0.00 C ATOM 1830 O ILE A 122 8.675 -11.515 -2.028 1.00 0.00 O ATOM 1831 CB ILE A 122 6.789 -9.818 0.100 1.00 0.00 C ATOM 1832 CG1 ILE A 122 6.537 -9.168 1.463 1.00 0.00 C ATOM 1833 CG2 ILE A 122 5.871 -11.016 -0.144 1.00 0.00 C ATOM 1834 CD1 ILE A 122 7.301 -9.899 2.568 1.00 0.00 C ATOM 0 H ILE A 122 8.685 -8.325 0.750 1.00 0.00 H new ATOM 0 HA ILE A 122 8.358 -11.181 0.438 1.00 0.00 H new ATOM 0 HB ILE A 122 6.553 -9.074 -0.661 1.00 0.00 H new ATOM 0 HG12 ILE A 122 6.844 -8.123 1.434 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.470 -9.181 1.684 1.00 0.00 H new ATOM 0 HG21 ILE A 122 4.832 -10.708 -0.029 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.027 -11.395 -1.154 1.00 0.00 H new ATOM 0 HG23 ILE A 122 6.098 -11.801 0.577 1.00 0.00 H new ATOM 0 HD11 ILE A 122 7.105 -9.417 3.526 1.00 0.00 H new ATOM 0 HD12 ILE A 122 6.974 -10.938 2.610 1.00 0.00 H new ATOM 0 HD13 ILE A 122 8.370 -9.863 2.356 1.00 0.00 H new ATOM 1846 N HIS A 123 9.085 -9.292 -2.122 1.00 0.00 N ATOM 1847 CA HIS A 123 9.527 -9.320 -3.506 1.00 0.00 C ATOM 1848 C HIS A 123 10.506 -10.478 -3.710 1.00 0.00 C ATOM 1849 O HIS A 123 10.746 -10.901 -4.840 1.00 0.00 O ATOM 1850 CB HIS A 123 10.115 -7.969 -3.916 1.00 0.00 C ATOM 1851 CG HIS A 123 11.030 -8.035 -5.115 1.00 0.00 C ATOM 1852 ND1 HIS A 123 10.784 -8.856 -6.202 1.00 0.00 N ATOM 1853 CD2 HIS A 123 12.192 -7.374 -5.387 1.00 0.00 C ATOM 1854 CE1 HIS A 123 11.760 -8.689 -7.082 1.00 0.00 C ATOM 1855 NE2 HIS A 123 12.631 -7.770 -6.575 1.00 0.00 N ATOM 0 H HIS A 123 9.102 -8.369 -1.687 1.00 0.00 H new ATOM 0 HA HIS A 123 8.672 -9.493 -4.160 1.00 0.00 H new ATOM 0 HB2 HIS A 123 9.299 -7.280 -4.133 1.00 0.00 H new ATOM 0 HB3 HIS A 123 10.667 -7.554 -3.073 1.00 0.00 H new ATOM 0 HD1 HIS A 123 9.987 -9.483 -6.307 1.00 0.00 H new ATOM 0 HD2 HIS A 123 12.673 -6.651 -4.745 1.00 0.00 H new ATOM 0 HE1 HIS A 123 11.850 -9.192 -8.033 1.00 0.00 H new ATOM 1864 N LYS A 124 11.043 -10.958 -2.597 1.00 0.00 N ATOM 1865 CA LYS A 124 11.990 -12.060 -2.638 1.00 0.00 C ATOM 1866 C LYS A 124 11.243 -13.378 -2.437 1.00 0.00 C ATOM 1867 O LYS A 124 11.823 -14.362 -1.981 1.00 0.00 O ATOM 1868 CB LYS A 124 13.121 -11.832 -1.632 1.00 0.00 C ATOM 1869 CG LYS A 124 12.796 -12.485 -0.286 1.00 0.00 C ATOM 1870 CD LYS A 124 13.538 -11.786 0.854 1.00 0.00 C ATOM 1871 CE LYS A 124 13.523 -12.641 2.122 1.00 0.00 C ATOM 1872 NZ LYS A 124 14.779 -13.415 2.241 1.00 0.00 N ATOM 0 H LYS A 124 10.840 -10.604 -1.662 1.00 0.00 H new ATOM 0 HA LYS A 124 12.470 -12.113 -3.615 1.00 0.00 H new ATOM 0 HB2 LYS A 124 14.051 -12.243 -2.025 1.00 0.00 H new ATOM 0 HB3 LYS A 124 13.279 -10.763 -1.493 1.00 0.00 H new ATOM 0 HG2 LYS A 124 11.722 -12.442 -0.106 1.00 0.00 H new ATOM 0 HG3 LYS A 124 13.072 -13.539 -0.313 1.00 0.00 H new ATOM 0 HD2 LYS A 124 14.568 -11.589 0.556 1.00 0.00 H new ATOM 0 HD3 LYS A 124 13.075 -10.820 1.056 1.00 0.00 H new ATOM 0 HE2 LYS A 124 13.398 -12.003 2.997 1.00 0.00 H new ATOM 0 HE3 LYS A 124 12.671 -13.321 2.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 14.752 -13.990 3.107 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 14.882 -14.038 1.415 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 15.587 -12.761 2.284 1.00 0.00 H new ATOM 1886 N LEU A 125 9.964 -13.357 -2.784 1.00 0.00 N ATOM 1887 CA LEU A 125 9.130 -14.538 -2.647 1.00 0.00 C ATOM 1888 C LEU A 125 9.849 -15.739 -3.263 1.00 0.00 C ATOM 1889 O LEU A 125 10.689 -16.365 -2.619 1.00 0.00 O ATOM 1890 CB LEU A 125 7.740 -14.284 -3.233 1.00 0.00 C ATOM 1891 CG LEU A 125 7.648 -13.175 -4.283 1.00 0.00 C ATOM 1892 CD1 LEU A 125 8.814 -13.256 -5.269 1.00 0.00 C ATOM 1893 CD2 LEU A 125 6.293 -13.207 -4.995 1.00 0.00 C ATOM 0 H LEU A 125 9.485 -12.539 -3.160 1.00 0.00 H new ATOM 0 HA LEU A 125 8.968 -14.770 -1.594 1.00 0.00 H new ATOM 0 HB2 LEU A 125 7.381 -15.211 -3.680 1.00 0.00 H new ATOM 0 HB3 LEU A 125 7.062 -14.040 -2.415 1.00 0.00 H new ATOM 0 HG LEU A 125 7.723 -12.214 -3.774 1.00 0.00 H new ATOM 0 HD11 LEU A 125 8.725 -12.457 -6.005 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.755 -13.149 -4.729 1.00 0.00 H new ATOM 0 HD13 LEU A 125 8.795 -14.220 -5.777 1.00 0.00 H new ATOM 0 HD21 LEU A 125 6.253 -12.409 -5.736 1.00 0.00 H new ATOM 0 HD22 LEU A 125 6.165 -14.169 -5.490 1.00 0.00 H new ATOM 0 HD23 LEU A 125 5.495 -13.065 -4.266 1.00 0.00 H new ATOM 1905 N ASN A 126 9.493 -16.026 -4.508 1.00 0.00 N ATOM 1906 CA ASN A 126 10.093 -17.140 -5.220 1.00 0.00 C ATOM 1907 C ASN A 126 11.204 -16.617 -6.134 1.00 0.00 C ATOM 1908 O ASN A 126 12.132 -17.351 -6.471 1.00 0.00 O ATOM 1909 CB ASN A 126 9.061 -17.856 -6.094 1.00 0.00 C ATOM 1910 CG ASN A 126 7.855 -18.298 -5.263 1.00 0.00 C ATOM 1911 OD1 ASN A 126 7.821 -19.378 -4.695 1.00 0.00 O ATOM 1912 ND2 ASN A 126 6.868 -17.407 -5.227 1.00 0.00 N ATOM 0 H ASN A 126 8.796 -15.505 -5.041 1.00 0.00 H new ATOM 0 HA ASN A 126 10.487 -17.838 -4.482 1.00 0.00 H new ATOM 0 HB2 ASN A 126 8.733 -17.192 -6.894 1.00 0.00 H new ATOM 0 HB3 ASN A 126 9.519 -18.724 -6.568 1.00 0.00 H new ATOM 0 HD21 ASN A 126 6.018 -17.609 -4.701 1.00 0.00 H new ATOM 0 HD22 ASN A 126 6.962 -16.522 -5.725 1.00 0.00 H new ATOM 1919 N TRP A 127 11.071 -15.354 -6.509 1.00 0.00 N ATOM 1920 CA TRP A 127 12.053 -14.724 -7.377 1.00 0.00 C ATOM 1921 C TRP A 127 13.124 -14.084 -6.492 1.00 0.00 C ATOM 1922 O TRP A 127 12.811 -13.486 -5.464 1.00 0.00 O ATOM 1923 CB TRP A 127 11.384 -13.727 -8.325 1.00 0.00 C ATOM 1924 CG TRP A 127 9.856 -13.747 -8.275 1.00 0.00 C ATOM 1925 CD1 TRP A 127 9.048 -14.815 -8.223 1.00 0.00 C ATOM 1926 CD2 TRP A 127 8.980 -12.601 -8.276 1.00 0.00 C ATOM 1927 NE1 TRP A 127 7.719 -14.442 -8.190 1.00 0.00 N ATOM 1928 CE2 TRP A 127 7.677 -13.053 -8.223 1.00 0.00 C ATOM 1929 CE3 TRP A 127 9.277 -11.228 -8.321 1.00 0.00 C ATOM 1930 CZ2 TRP A 127 6.568 -12.198 -8.209 1.00 0.00 C ATOM 1931 CZ3 TRP A 127 8.160 -10.386 -8.306 1.00 0.00 C ATOM 1932 CH2 TRP A 127 6.841 -10.826 -8.253 1.00 0.00 C ATOM 0 H TRP A 127 10.299 -14.749 -6.228 1.00 0.00 H new ATOM 0 HA TRP A 127 12.531 -15.462 -8.021 1.00 0.00 H new ATOM 0 HB2 TRP A 127 11.732 -12.723 -8.083 1.00 0.00 H new ATOM 0 HB3 TRP A 127 11.706 -13.939 -9.344 1.00 0.00 H new ATOM 0 HD1 TRP A 127 9.393 -15.838 -8.209 1.00 0.00 H new ATOM 0 HE1 TRP A 127 6.916 -15.070 -8.149 1.00 0.00 H new ATOM 0 HE3 TRP A 127 10.289 -10.852 -8.364 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 5.557 -12.577 -8.167 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 8.333 -9.320 -8.338 1.00 0.00 H new ATOM 0 HH2 TRP A 127 6.031 -10.112 -8.246 1.00 0.00 H new ATOM 1943 N VAL A 128 14.368 -14.230 -6.926 1.00 0.00 N ATOM 1944 CA VAL A 128 15.488 -13.674 -6.186 1.00 0.00 C ATOM 1945 C VAL A 128 15.733 -12.234 -6.644 1.00 0.00 C ATOM 1946 O VAL A 128 16.046 -11.995 -7.809 1.00 0.00 O ATOM 1947 CB VAL A 128 16.720 -14.568 -6.349 1.00 0.00 C ATOM 1948 CG1 VAL A 128 17.957 -13.915 -5.732 1.00 0.00 C ATOM 1949 CG2 VAL A 128 16.472 -15.953 -5.746 1.00 0.00 C ATOM 0 H VAL A 128 14.624 -14.725 -7.780 1.00 0.00 H new ATOM 0 HA VAL A 128 15.262 -13.644 -5.120 1.00 0.00 H new ATOM 0 HB VAL A 128 16.906 -14.693 -7.416 1.00 0.00 H new ATOM 0 HG11 VAL A 128 18.818 -14.571 -5.862 1.00 0.00 H new ATOM 0 HG12 VAL A 128 18.150 -12.962 -6.225 1.00 0.00 H new ATOM 0 HG13 VAL A 128 17.787 -13.746 -4.669 1.00 0.00 H new ATOM 0 HG21 VAL A 128 17.361 -16.570 -5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 128 16.250 -15.853 -4.684 1.00 0.00 H new ATOM 0 HG23 VAL A 128 15.628 -16.424 -6.250 1.00 0.00 H new ATOM 1959 N PRO A 129 15.572 -11.288 -5.680 1.00 0.00 N ATOM 1960 CA PRO A 129 15.771 -9.879 -5.973 1.00 0.00 C ATOM 1961 C PRO A 129 17.259 -9.550 -6.098 1.00 0.00 C ATOM 1962 O PRO A 129 17.749 -8.619 -5.459 1.00 0.00 O ATOM 1963 CB PRO A 129 15.093 -9.142 -4.830 1.00 0.00 C ATOM 1964 CG PRO A 129 14.947 -10.155 -3.707 1.00 0.00 C ATOM 1965 CD PRO A 129 15.200 -11.536 -4.289 1.00 0.00 C ATOM 0 HA PRO A 129 15.343 -9.583 -6.931 1.00 0.00 H new ATOM 0 HB2 PRO A 129 15.688 -8.287 -4.509 1.00 0.00 H new ATOM 0 HB3 PRO A 129 14.121 -8.756 -5.137 1.00 0.00 H new ATOM 0 HG2 PRO A 129 15.656 -9.942 -2.907 1.00 0.00 H new ATOM 0 HG3 PRO A 129 13.949 -10.101 -3.272 1.00 0.00 H new ATOM 0 HD2 PRO A 129 15.996 -12.053 -3.752 1.00 0.00 H new ATOM 0 HD3 PRO A 129 14.311 -12.163 -4.222 1.00 0.00 H new ATOM 1973 N ASN A 130 17.938 -10.332 -6.924 1.00 0.00 N ATOM 1974 CA ASN A 130 19.362 -10.135 -7.143 1.00 0.00 C ATOM 1975 C ASN A 130 19.663 -8.635 -7.192 1.00 0.00 C ATOM 1976 O ASN A 130 20.751 -8.205 -6.810 1.00 0.00 O ATOM 1977 CB ASN A 130 19.808 -10.750 -8.470 1.00 0.00 C ATOM 1978 CG ASN A 130 21.326 -10.927 -8.511 1.00 0.00 C ATOM 1979 OD1 ASN A 130 21.930 -11.529 -7.639 1.00 0.00 O ATOM 1980 ND2 ASN A 130 21.907 -10.371 -9.569 1.00 0.00 N ATOM 0 H ASN A 130 17.529 -11.104 -7.450 1.00 0.00 H new ATOM 0 HA ASN A 130 19.898 -10.618 -6.326 1.00 0.00 H new ATOM 0 HB2 ASN A 130 19.322 -11.716 -8.608 1.00 0.00 H new ATOM 0 HB3 ASN A 130 19.491 -10.112 -9.295 1.00 0.00 H new ATOM 0 HD21 ASN A 130 22.918 -10.434 -9.688 1.00 0.00 H new ATOM 0 HD22 ASN A 130 21.342 -9.881 -10.262 1.00 0.00 H new ATOM 1987 N MET A 131 18.681 -7.882 -7.664 1.00 0.00 N ATOM 1988 CA MET A 131 18.828 -6.440 -7.768 1.00 0.00 C ATOM 1989 C MET A 131 18.222 -5.739 -6.551 1.00 0.00 C ATOM 1990 O MET A 131 17.006 -5.570 -6.468 1.00 0.00 O ATOM 1991 CB MET A 131 18.135 -5.948 -9.039 1.00 0.00 C ATOM 1992 CG MET A 131 18.791 -4.667 -9.560 1.00 0.00 C ATOM 1993 SD MET A 131 18.677 -4.602 -11.340 1.00 0.00 S ATOM 1994 CE MET A 131 20.231 -3.814 -11.721 1.00 0.00 C ATOM 0 H MET A 131 17.780 -8.243 -7.979 1.00 0.00 H new ATOM 0 HA MET A 131 19.891 -6.203 -7.808 1.00 0.00 H new ATOM 0 HB2 MET A 131 18.181 -6.722 -9.805 1.00 0.00 H new ATOM 0 HB3 MET A 131 17.080 -5.764 -8.834 1.00 0.00 H new ATOM 0 HG2 MET A 131 18.303 -3.795 -9.124 1.00 0.00 H new ATOM 0 HG3 MET A 131 19.836 -4.633 -9.253 1.00 0.00 H new ATOM 0 HE1 MET A 131 20.324 -3.695 -12.801 1.00 0.00 H new ATOM 0 HE2 MET A 131 20.269 -2.835 -11.244 1.00 0.00 H new ATOM 0 HE3 MET A 131 21.051 -4.430 -11.352 1.00 0.00 H new ATOM 2004 N ASP A 132 19.097 -5.349 -5.636 1.00 0.00 N ATOM 2005 CA ASP A 132 18.663 -4.669 -4.427 1.00 0.00 C ATOM 2006 C ASP A 132 19.498 -3.401 -4.233 1.00 0.00 C ATOM 2007 O ASP A 132 20.717 -3.471 -4.087 1.00 0.00 O ATOM 2008 CB ASP A 132 18.860 -5.555 -3.196 1.00 0.00 C ATOM 2009 CG ASP A 132 17.605 -6.293 -2.723 1.00 0.00 C ATOM 2010 OD1 ASP A 132 16.503 -5.816 -3.070 1.00 0.00 O ATOM 2011 OD2 ASP A 132 17.778 -7.315 -2.025 1.00 0.00 O ATOM 0 H ASP A 132 20.105 -5.491 -5.707 1.00 0.00 H new ATOM 0 HA ASP A 132 17.605 -4.431 -4.536 1.00 0.00 H new ATOM 0 HB2 ASP A 132 19.634 -6.290 -3.416 1.00 0.00 H new ATOM 0 HB3 ASP A 132 19.230 -4.937 -2.378 1.00 0.00 H new ATOM 2016 N LEU A 133 18.806 -2.270 -4.241 1.00 0.00 N ATOM 2017 CA LEU A 133 19.468 -0.988 -4.067 1.00 0.00 C ATOM 2018 C LEU A 133 18.415 0.122 -4.019 1.00 0.00 C ATOM 2019 O LEU A 133 17.827 0.471 -5.041 1.00 0.00 O ATOM 2020 CB LEU A 133 20.529 -0.782 -5.152 1.00 0.00 C ATOM 2021 CG LEU A 133 20.046 -0.119 -6.444 1.00 0.00 C ATOM 2022 CD1 LEU A 133 18.801 -0.820 -6.988 1.00 0.00 C ATOM 2023 CD2 LEU A 133 19.817 1.380 -6.239 1.00 0.00 C ATOM 0 H LEU A 133 17.795 -2.215 -4.365 1.00 0.00 H new ATOM 0 HA LEU A 133 20.004 -0.961 -3.118 1.00 0.00 H new ATOM 0 HB2 LEU A 133 21.334 -0.177 -4.735 1.00 0.00 H new ATOM 0 HB3 LEU A 133 20.957 -1.753 -5.403 1.00 0.00 H new ATOM 0 HG LEU A 133 20.829 -0.225 -7.195 1.00 0.00 H new ATOM 0 HD11 LEU A 133 18.479 -0.329 -7.906 1.00 0.00 H new ATOM 0 HD12 LEU A 133 19.034 -1.864 -7.197 1.00 0.00 H new ATOM 0 HD13 LEU A 133 18.002 -0.767 -6.249 1.00 0.00 H new ATOM 0 HD21 LEU A 133 19.474 1.827 -7.172 1.00 0.00 H new ATOM 0 HD22 LEU A 133 19.063 1.531 -5.466 1.00 0.00 H new ATOM 0 HD23 LEU A 133 20.750 1.852 -5.932 1.00 0.00 H new ATOM 2035 N VAL A 134 18.210 0.645 -2.819 1.00 0.00 N ATOM 2036 CA VAL A 134 17.238 1.708 -2.622 1.00 0.00 C ATOM 2037 C VAL A 134 17.961 2.976 -2.163 1.00 0.00 C ATOM 2038 O VAL A 134 17.391 4.066 -2.194 1.00 0.00 O ATOM 2039 CB VAL A 134 16.153 1.251 -1.645 1.00 0.00 C ATOM 2040 CG1 VAL A 134 16.738 1.005 -0.253 1.00 0.00 C ATOM 2041 CG2 VAL A 134 15.007 2.263 -1.586 1.00 0.00 C ATOM 0 H VAL A 134 18.700 0.353 -1.973 1.00 0.00 H new ATOM 0 HA VAL A 134 16.734 1.943 -3.559 1.00 0.00 H new ATOM 0 HB VAL A 134 15.749 0.307 -2.011 1.00 0.00 H new ATOM 0 HG11 VAL A 134 15.946 0.681 0.422 1.00 0.00 H new ATOM 0 HG12 VAL A 134 17.504 0.232 -0.312 1.00 0.00 H new ATOM 0 HG13 VAL A 134 17.181 1.927 0.123 1.00 0.00 H new ATOM 0 HG21 VAL A 134 14.249 1.914 -0.884 1.00 0.00 H new ATOM 0 HG22 VAL A 134 15.391 3.228 -1.255 1.00 0.00 H new ATOM 0 HG23 VAL A 134 14.564 2.369 -2.576 1.00 0.00 H new ATOM 2051 N ILE A 135 19.206 2.791 -1.750 1.00 0.00 N ATOM 2052 CA ILE A 135 20.014 3.907 -1.286 1.00 0.00 C ATOM 2053 C ILE A 135 21.070 4.239 -2.340 1.00 0.00 C ATOM 2054 O ILE A 135 21.624 5.339 -2.345 1.00 0.00 O ATOM 2055 CB ILE A 135 20.596 3.609 0.097 1.00 0.00 C ATOM 2056 CG1 ILE A 135 21.106 2.169 0.177 1.00 0.00 C ATOM 2057 CG2 ILE A 135 19.580 3.919 1.199 1.00 0.00 C ATOM 2058 CD1 ILE A 135 19.986 1.212 0.592 1.00 0.00 C ATOM 0 H ILE A 135 19.675 1.886 -1.727 1.00 0.00 H new ATOM 0 HA ILE A 135 19.398 4.797 -1.161 1.00 0.00 H new ATOM 0 HB ILE A 135 21.452 4.264 0.256 1.00 0.00 H new ATOM 0 HG12 ILE A 135 21.507 1.867 -0.791 1.00 0.00 H new ATOM 0 HG13 ILE A 135 21.925 2.109 0.894 1.00 0.00 H new ATOM 0 HG21 ILE A 135 20.020 3.698 2.172 1.00 0.00 H new ATOM 0 HG22 ILE A 135 19.306 4.973 1.155 1.00 0.00 H new ATOM 0 HG23 ILE A 135 18.690 3.307 1.056 1.00 0.00 H new ATOM 0 HD11 ILE A 135 20.376 0.195 0.641 1.00 0.00 H new ATOM 0 HD12 ILE A 135 19.604 1.502 1.571 1.00 0.00 H new ATOM 0 HD13 ILE A 135 19.180 1.256 -0.140 1.00 0.00 H new ATOM 2070 N GLY A 136 21.320 3.271 -3.209 1.00 0.00 N ATOM 2071 CA GLY A 136 22.301 3.447 -4.265 1.00 0.00 C ATOM 2072 C GLY A 136 23.721 3.484 -3.694 1.00 0.00 C ATOM 2073 O GLY A 136 24.587 4.180 -4.220 1.00 0.00 O ATOM 0 H GLY A 136 20.859 2.361 -3.203 1.00 0.00 H new ATOM 0 HA2 GLY A 136 22.216 2.633 -4.985 1.00 0.00 H new ATOM 0 HA3 GLY A 136 22.098 4.372 -4.804 1.00 0.00 H new ATOM 2077 N GLU A 137 23.914 2.723 -2.626 1.00 0.00 N ATOM 2078 CA GLU A 137 25.214 2.659 -1.980 1.00 0.00 C ATOM 2079 C GLU A 137 25.630 1.203 -1.767 1.00 0.00 C ATOM 2080 O GLU A 137 24.849 0.286 -2.018 1.00 0.00 O ATOM 2081 CB GLU A 137 25.205 3.425 -0.655 1.00 0.00 C ATOM 2082 CG GLU A 137 25.368 4.929 -0.890 1.00 0.00 C ATOM 2083 CD GLU A 137 25.535 5.676 0.435 1.00 0.00 C ATOM 2084 OE1 GLU A 137 24.803 5.319 1.385 1.00 0.00 O ATOM 2085 OE2 GLU A 137 26.390 6.586 0.469 1.00 0.00 O ATOM 0 H GLU A 137 23.193 2.146 -2.193 1.00 0.00 H new ATOM 0 HA GLU A 137 25.946 3.134 -2.633 1.00 0.00 H new ATOM 0 HB2 GLU A 137 24.270 3.235 -0.127 1.00 0.00 H new ATOM 0 HB3 GLU A 137 26.011 3.064 -0.016 1.00 0.00 H new ATOM 0 HG2 GLU A 137 26.235 5.110 -1.525 1.00 0.00 H new ATOM 0 HG3 GLU A 137 24.498 5.314 -1.422 1.00 0.00 H new ATOM 2092 N VAL A 138 26.862 1.034 -1.308 1.00 0.00 N ATOM 2093 CA VAL A 138 27.392 -0.296 -1.059 1.00 0.00 C ATOM 2094 C VAL A 138 26.741 -0.873 0.199 1.00 0.00 C ATOM 2095 O VAL A 138 27.142 -0.548 1.315 1.00 0.00 O ATOM 2096 CB VAL A 138 28.919 -0.243 -0.971 1.00 0.00 C ATOM 2097 CG1 VAL A 138 29.517 0.425 -2.212 1.00 0.00 C ATOM 2098 CG2 VAL A 138 29.371 0.470 0.305 1.00 0.00 C ATOM 0 H VAL A 138 27.508 1.796 -1.102 1.00 0.00 H new ATOM 0 HA VAL A 138 27.150 -0.964 -1.886 1.00 0.00 H new ATOM 0 HB VAL A 138 29.287 -1.268 -0.931 1.00 0.00 H new ATOM 0 HG11 VAL A 138 30.603 0.450 -2.124 1.00 0.00 H new ATOM 0 HG12 VAL A 138 29.238 -0.141 -3.100 1.00 0.00 H new ATOM 0 HG13 VAL A 138 29.136 1.443 -2.296 1.00 0.00 H new ATOM 0 HG21 VAL A 138 30.460 0.494 0.342 1.00 0.00 H new ATOM 0 HG22 VAL A 138 28.986 1.490 0.308 1.00 0.00 H new ATOM 0 HG23 VAL A 138 28.990 -0.065 1.175 1.00 0.00 H new ATOM 2108 N LEU A 139 25.745 -1.719 -0.024 1.00 0.00 N ATOM 2109 CA LEU A 139 25.034 -2.344 1.077 1.00 0.00 C ATOM 2110 C LEU A 139 23.963 -3.285 0.520 1.00 0.00 C ATOM 2111 O LEU A 139 23.775 -4.388 1.030 1.00 0.00 O ATOM 2112 CB LEU A 139 24.484 -1.282 2.031 1.00 0.00 C ATOM 2113 CG LEU A 139 24.524 -1.633 3.521 1.00 0.00 C ATOM 2114 CD1 LEU A 139 25.966 -1.791 4.008 1.00 0.00 C ATOM 2115 CD2 LEU A 139 23.750 -0.604 4.347 1.00 0.00 C ATOM 0 H LEU A 139 25.414 -1.986 -0.951 1.00 0.00 H new ATOM 0 HA LEU A 139 25.714 -2.953 1.672 1.00 0.00 H new ATOM 0 HB2 LEU A 139 25.046 -0.360 1.880 1.00 0.00 H new ATOM 0 HB3 LEU A 139 23.450 -1.074 1.755 1.00 0.00 H new ATOM 0 HG LEU A 139 24.030 -2.595 3.659 1.00 0.00 H new ATOM 0 HD11 LEU A 139 25.966 -2.040 5.069 1.00 0.00 H new ATOM 0 HD12 LEU A 139 26.454 -2.589 3.448 1.00 0.00 H new ATOM 0 HD13 LEU A 139 26.506 -0.857 3.854 1.00 0.00 H new ATOM 0 HD21 LEU A 139 23.794 -0.876 5.401 1.00 0.00 H new ATOM 0 HD22 LEU A 139 24.194 0.382 4.208 1.00 0.00 H new ATOM 0 HD23 LEU A 139 22.710 -0.583 4.021 1.00 0.00 H new ATOM 2127 N ALA A 140 23.291 -2.813 -0.520 1.00 0.00 N ATOM 2128 CA ALA A 140 22.245 -3.598 -1.153 1.00 0.00 C ATOM 2129 C ALA A 140 22.852 -4.436 -2.280 1.00 0.00 C ATOM 2130 O ALA A 140 23.985 -4.196 -2.694 1.00 0.00 O ATOM 2131 CB ALA A 140 21.138 -2.666 -1.650 1.00 0.00 C ATOM 0 H ALA A 140 23.451 -1.897 -0.940 1.00 0.00 H new ATOM 0 HA ALA A 140 21.795 -4.286 -0.437 1.00 0.00 H new ATOM 0 HB1 ALA A 140 20.353 -3.254 -2.125 1.00 0.00 H new ATOM 0 HB2 ALA A 140 20.720 -2.116 -0.807 1.00 0.00 H new ATOM 0 HB3 ALA A 140 21.552 -1.963 -2.373 1.00 0.00 H new ATOM 2137 N GLU A 141 22.071 -5.400 -2.745 1.00 0.00 N ATOM 2138 CA GLU A 141 22.517 -6.274 -3.816 1.00 0.00 C ATOM 2139 C GLU A 141 22.511 -5.524 -5.151 1.00 0.00 C ATOM 2140 O GLU A 141 21.542 -5.599 -5.904 1.00 0.00 O ATOM 2141 CB GLU A 141 21.654 -7.535 -3.891 1.00 0.00 C ATOM 2142 CG GLU A 141 22.522 -8.783 -4.062 1.00 0.00 C ATOM 2143 CD GLU A 141 23.079 -9.251 -2.716 1.00 0.00 C ATOM 2144 OE1 GLU A 141 23.763 -8.430 -2.068 1.00 0.00 O ATOM 2145 OE2 GLU A 141 22.809 -10.420 -2.366 1.00 0.00 O ATOM 0 H GLU A 141 21.131 -5.595 -2.399 1.00 0.00 H new ATOM 0 HA GLU A 141 23.539 -6.586 -3.602 1.00 0.00 H new ATOM 0 HB2 GLU A 141 21.056 -7.625 -2.984 1.00 0.00 H new ATOM 0 HB3 GLU A 141 20.958 -7.455 -4.726 1.00 0.00 H new ATOM 0 HG2 GLU A 141 21.933 -9.581 -4.513 1.00 0.00 H new ATOM 0 HG3 GLU A 141 23.344 -8.568 -4.745 1.00 0.00 H new ATOM 2152 N VAL A 142 23.603 -4.818 -5.402 1.00 0.00 N ATOM 2153 CA VAL A 142 23.735 -4.055 -6.632 1.00 0.00 C ATOM 2154 C VAL A 142 22.396 -3.394 -6.962 1.00 0.00 C ATOM 2155 O VAL A 142 22.342 -2.452 -7.752 1.00 0.00 O ATOM 2156 CB VAL A 142 24.248 -4.958 -7.755 1.00 0.00 C ATOM 2157 CG1 VAL A 142 24.184 -4.244 -9.106 1.00 0.00 C ATOM 2158 CG2 VAL A 142 25.669 -5.445 -7.460 1.00 0.00 C ATOM 0 H VAL A 142 24.405 -4.758 -4.775 1.00 0.00 H new ATOM 0 HA VAL A 142 24.470 -3.259 -6.511 1.00 0.00 H new ATOM 0 HB VAL A 142 23.597 -5.831 -7.806 1.00 0.00 H new ATOM 0 HG11 VAL A 142 24.555 -4.908 -9.887 1.00 0.00 H new ATOM 0 HG12 VAL A 142 23.152 -3.969 -9.323 1.00 0.00 H new ATOM 0 HG13 VAL A 142 24.800 -3.345 -9.072 1.00 0.00 H new ATOM 0 HG21 VAL A 142 26.010 -6.085 -8.273 1.00 0.00 H new ATOM 0 HG22 VAL A 142 26.336 -4.588 -7.369 1.00 0.00 H new ATOM 0 HG23 VAL A 142 25.674 -6.010 -6.528 1.00 0.00 H new TER 2168 VAL A 142