USER MOD reduce.3.24.130724 H: found=0, std=0, add=866, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 860 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 24 THR OG1 : rot -107:sc= 1.35 USER MOD Set 1.2: A 27 ASN : amide:sc= -5.59! C(o=-5.1!,f=-8.9!) USER MOD Set 1.3: A 106 TYR OH : rot 15:sc= -0.856 USER MOD Set 2.1: A 35 TYR OH : rot 8:sc= -1.25 USER MOD Set 2.2: A 68 GLN : amide:sc= -8.41! C(o=-9.7!,f=-11!) USER MOD Single : A 1 GLY N :NH3+ -129:sc= 0.132 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 5 SER OG : rot 180:sc= 0.0518 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 SER OG : rot 47:sc= 1.2 USER MOD Single : A 16 ASN : amide:sc= -0.0122 X(o=-0.012,f=0) USER MOD Single : A 20 HIS : no HD1:sc= -0.0508 X(o=-0.051,f=0.0041) USER MOD Single : A 22 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 29 LYS NZ :NH3+ 163:sc= 0.0356 (180deg=0.00316) USER MOD Single : A 33 ASN : amide:sc=-0.00958 X(o=-0.0096,f=-0.14) USER MOD Single : A 34 GLN : amide:sc= -0.323 X(o=-0.32,f=-0.071) USER MOD Single : A 37 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 42 GLN : amide:sc= 0 K(o=0,f=-0.54) USER MOD Single : A 45 TYR OH : rot -165:sc= -6.23! USER MOD Single : A 46 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 47 TYR OH : rot 180:sc= -0.708 USER MOD Single : A 48 THR OG1 : rot 180:sc= 0 USER MOD Single : A 49 GLN : amide:sc= -0.453 X(o=-0.45,f=-0.45) USER MOD Single : A 54 HIS :FLIP no HD1:sc= -8.04! C(o=-9.4!,f=-8!) USER MOD Single : A 55 ASN : amide:sc= -0.0235 K(o=-0.024,f=-1.5) USER MOD Single : A 57 SER OG : rot 180:sc= -0.332 USER MOD Single : A 62 MET CE :methyl -169:sc= -0.185 (180deg=-0.56) USER MOD Single : A 63 THR OG1 : rot -83:sc= 0.314 USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 HIS : no HD1:sc= 0.0152 K(o=0.015,f=-0.6) USER MOD Single : A 80 SER OG : rot 180:sc= 0 USER MOD Single : A 81 ASN :FLIP amide:sc= -0.15 F(o=-3.7!,f=-0.15) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 87 GLN : amide:sc= -0.0779 K(o=-0.078,f=-1.6) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 CYS SG : rot 58:sc= -4.07 USER MOD Single : A 92 SER OG : rot 180:sc= 0 USER MOD Single : A 96 GLN : amide:sc= -0.271 X(o=-0.27,f=-0.025) USER MOD Single : A 98 TYR OH : rot 40:sc= 0.754 USER MOD Single : A 99 HIS : no HD1:sc= -5.29! C(o=-5.3!,f=-7.7!) USER MOD Single : A 107 SER OG : rot 180:sc= -0.215 USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -30.364 -33.059 7.984 1.00 0.00 N ATOM 2 CA GLY A 1 -29.082 -33.664 8.302 1.00 0.00 C ATOM 3 C GLY A 1 -28.836 -33.666 9.812 1.00 0.00 C ATOM 4 O GLY A 1 -29.724 -33.321 10.590 1.00 0.00 O ATOM 0 H1 GLY A 1 -30.903 -33.694 7.361 1.00 0.00 H new ATOM 0 H2 GLY A 1 -30.899 -32.898 8.861 1.00 0.00 H new ATOM 0 H3 GLY A 1 -30.209 -32.151 7.501 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -29.055 -34.686 7.924 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -28.283 -33.117 7.801 1.00 0.00 H new ATOM 8 N SER A 2 -27.625 -34.057 10.181 1.00 0.00 N ATOM 9 CA SER A 2 -27.250 -34.107 11.584 1.00 0.00 C ATOM 10 C SER A 2 -25.964 -33.312 11.812 1.00 0.00 C ATOM 11 O SER A 2 -25.942 -32.373 12.606 1.00 0.00 O ATOM 12 CB SER A 2 -27.071 -35.552 12.055 1.00 0.00 C ATOM 13 OG SER A 2 -26.603 -35.622 13.399 1.00 0.00 O ATOM 0 H SER A 2 -26.891 -34.342 9.533 1.00 0.00 H new ATOM 0 HA SER A 2 -28.054 -33.659 12.168 1.00 0.00 H new ATOM 0 HB2 SER A 2 -28.021 -36.080 11.974 1.00 0.00 H new ATOM 0 HB3 SER A 2 -26.366 -36.062 11.399 1.00 0.00 H new ATOM 0 HG SER A 2 -26.503 -36.561 13.662 1.00 0.00 H new ATOM 19 N SER A 3 -24.922 -33.716 11.100 1.00 0.00 N ATOM 20 CA SER A 3 -23.634 -33.052 11.214 1.00 0.00 C ATOM 21 C SER A 3 -22.915 -33.069 9.864 1.00 0.00 C ATOM 22 O SER A 3 -22.629 -32.017 9.295 1.00 0.00 O ATOM 23 CB SER A 3 -22.766 -33.715 12.286 1.00 0.00 C ATOM 24 OG SER A 3 -22.074 -32.755 13.080 1.00 0.00 O ATOM 0 H SER A 3 -24.943 -34.495 10.442 1.00 0.00 H new ATOM 0 HA SER A 3 -23.807 -32.018 11.513 1.00 0.00 H new ATOM 0 HB2 SER A 3 -23.393 -34.333 12.929 1.00 0.00 H new ATOM 0 HB3 SER A 3 -22.045 -34.379 11.809 1.00 0.00 H new ATOM 0 HG SER A 3 -21.532 -33.217 13.754 1.00 0.00 H new ATOM 30 N GLY A 4 -22.644 -34.276 9.389 1.00 0.00 N ATOM 31 CA GLY A 4 -21.964 -34.444 8.116 1.00 0.00 C ATOM 32 C GLY A 4 -20.471 -34.133 8.247 1.00 0.00 C ATOM 33 O GLY A 4 -19.972 -33.922 9.351 1.00 0.00 O ATOM 0 H GLY A 4 -22.883 -35.147 9.863 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -22.097 -35.466 7.761 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -22.412 -33.787 7.371 1.00 0.00 H new ATOM 37 N SER A 5 -19.801 -34.116 7.104 1.00 0.00 N ATOM 38 CA SER A 5 -18.376 -33.835 7.077 1.00 0.00 C ATOM 39 C SER A 5 -18.048 -32.905 5.907 1.00 0.00 C ATOM 40 O SER A 5 -17.678 -31.750 6.113 1.00 0.00 O ATOM 41 CB SER A 5 -17.562 -35.126 6.972 1.00 0.00 C ATOM 42 OG SER A 5 -17.943 -35.907 5.843 1.00 0.00 O ATOM 0 H SER A 5 -20.219 -34.292 6.190 1.00 0.00 H new ATOM 0 HA SER A 5 -18.107 -33.342 8.011 1.00 0.00 H new ATOM 0 HB2 SER A 5 -16.502 -34.882 6.903 1.00 0.00 H new ATOM 0 HB3 SER A 5 -17.695 -35.713 7.881 1.00 0.00 H new ATOM 0 HG SER A 5 -17.399 -36.722 5.810 1.00 0.00 H new ATOM 48 N SER A 6 -18.196 -33.442 4.705 1.00 0.00 N ATOM 49 CA SER A 6 -17.921 -32.675 3.503 1.00 0.00 C ATOM 50 C SER A 6 -16.435 -32.316 3.440 1.00 0.00 C ATOM 51 O SER A 6 -15.818 -32.030 4.465 1.00 0.00 O ATOM 52 CB SER A 6 -18.776 -31.407 3.451 1.00 0.00 C ATOM 53 OG SER A 6 -20.170 -31.701 3.478 1.00 0.00 O ATOM 0 H SER A 6 -18.503 -34.400 4.538 1.00 0.00 H new ATOM 0 HA SER A 6 -18.177 -33.289 2.639 1.00 0.00 H new ATOM 0 HB2 SER A 6 -18.525 -30.765 4.296 1.00 0.00 H new ATOM 0 HB3 SER A 6 -18.541 -30.848 2.545 1.00 0.00 H new ATOM 0 HG SER A 6 -20.681 -30.866 3.445 1.00 0.00 H new ATOM 59 N GLY A 7 -15.903 -32.342 2.227 1.00 0.00 N ATOM 60 CA GLY A 7 -14.501 -32.023 2.017 1.00 0.00 C ATOM 61 C GLY A 7 -14.158 -32.015 0.526 1.00 0.00 C ATOM 62 O GLY A 7 -13.100 -32.498 0.126 1.00 0.00 O ATOM 0 H GLY A 7 -16.418 -32.579 1.379 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -14.277 -31.048 2.451 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -13.877 -32.752 2.533 1.00 0.00 H new ATOM 66 N LEU A 8 -15.072 -31.460 -0.256 1.00 0.00 N ATOM 67 CA LEU A 8 -14.880 -31.382 -1.694 1.00 0.00 C ATOM 68 C LEU A 8 -14.184 -30.064 -2.040 1.00 0.00 C ATOM 69 O LEU A 8 -14.833 -29.025 -2.148 1.00 0.00 O ATOM 70 CB LEU A 8 -16.209 -31.586 -2.424 1.00 0.00 C ATOM 71 CG LEU A 8 -16.914 -32.920 -2.172 1.00 0.00 C ATOM 72 CD1 LEU A 8 -18.434 -32.753 -2.218 1.00 0.00 C ATOM 73 CD2 LEU A 8 -16.426 -33.992 -3.149 1.00 0.00 C ATOM 0 H LEU A 8 -15.948 -31.060 0.079 1.00 0.00 H new ATOM 0 HA LEU A 8 -14.229 -32.186 -2.036 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -16.885 -30.780 -2.138 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -16.031 -31.488 -3.495 1.00 0.00 H new ATOM 0 HG LEU A 8 -16.656 -33.258 -1.168 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -18.911 -33.716 -2.036 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -18.745 -32.043 -1.452 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -18.730 -32.381 -3.199 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -16.943 -34.930 -2.948 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -16.634 -33.675 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -15.353 -34.136 -3.025 1.00 0.00 H new ATOM 85 N GLU A 9 -12.872 -30.150 -2.205 1.00 0.00 N ATOM 86 CA GLU A 9 -12.081 -28.978 -2.537 1.00 0.00 C ATOM 87 C GLU A 9 -10.701 -29.396 -3.048 1.00 0.00 C ATOM 88 O GLU A 9 -9.694 -28.778 -2.704 1.00 0.00 O ATOM 89 CB GLU A 9 -11.960 -28.040 -1.334 1.00 0.00 C ATOM 90 CG GLU A 9 -11.180 -28.704 -0.198 1.00 0.00 C ATOM 91 CD GLU A 9 -10.959 -27.727 0.960 1.00 0.00 C ATOM 92 OE1 GLU A 9 -11.973 -27.354 1.588 1.00 0.00 O ATOM 93 OE2 GLU A 9 -9.782 -27.377 1.190 1.00 0.00 O ATOM 0 H GLU A 9 -12.337 -31.014 -2.115 1.00 0.00 H new ATOM 0 HA GLU A 9 -12.591 -28.433 -3.331 1.00 0.00 H new ATOM 0 HB2 GLU A 9 -11.459 -27.120 -1.635 1.00 0.00 H new ATOM 0 HB3 GLU A 9 -12.954 -27.762 -0.984 1.00 0.00 H new ATOM 0 HG2 GLU A 9 -11.724 -29.579 0.158 1.00 0.00 H new ATOM 0 HG3 GLU A 9 -10.218 -29.056 -0.570 1.00 0.00 H new ATOM 100 N SER A 10 -10.697 -30.442 -3.860 1.00 0.00 N ATOM 101 CA SER A 10 -9.457 -30.950 -4.422 1.00 0.00 C ATOM 102 C SER A 10 -8.689 -29.817 -5.105 1.00 0.00 C ATOM 103 O SER A 10 -8.879 -29.561 -6.293 1.00 0.00 O ATOM 104 CB SER A 10 -9.725 -32.083 -5.414 1.00 0.00 C ATOM 105 OG SER A 10 -10.186 -31.594 -6.671 1.00 0.00 O ATOM 0 H SER A 10 -11.534 -30.952 -4.143 1.00 0.00 H new ATOM 0 HA SER A 10 -8.852 -31.351 -3.609 1.00 0.00 H new ATOM 0 HB2 SER A 10 -8.812 -32.659 -5.562 1.00 0.00 H new ATOM 0 HB3 SER A 10 -10.467 -32.763 -4.996 1.00 0.00 H new ATOM 0 HG SER A 10 -9.615 -30.853 -6.963 1.00 0.00 H new ATOM 111 N GLU A 11 -7.838 -29.167 -4.324 1.00 0.00 N ATOM 112 CA GLU A 11 -7.041 -28.067 -4.839 1.00 0.00 C ATOM 113 C GLU A 11 -5.929 -27.710 -3.851 1.00 0.00 C ATOM 114 O GLU A 11 -5.740 -28.397 -2.848 1.00 0.00 O ATOM 115 CB GLU A 11 -7.917 -26.850 -5.143 1.00 0.00 C ATOM 116 CG GLU A 11 -8.411 -26.877 -6.590 1.00 0.00 C ATOM 117 CD GLU A 11 -8.614 -25.459 -7.127 1.00 0.00 C ATOM 118 OE1 GLU A 11 -9.393 -24.717 -6.490 1.00 0.00 O ATOM 119 OE2 GLU A 11 -7.986 -25.149 -8.163 1.00 0.00 O ATOM 0 H GLU A 11 -7.683 -29.381 -3.339 1.00 0.00 H new ATOM 0 HA GLU A 11 -6.581 -28.384 -5.775 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -8.770 -26.833 -4.464 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -7.350 -25.936 -4.966 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -7.691 -27.406 -7.214 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -9.349 -27.429 -6.647 1.00 0.00 H new ATOM 126 N GLU A 12 -5.221 -26.635 -4.169 1.00 0.00 N ATOM 127 CA GLU A 12 -4.133 -26.178 -3.321 1.00 0.00 C ATOM 128 C GLU A 12 -4.168 -24.655 -3.188 1.00 0.00 C ATOM 129 O GLU A 12 -3.634 -23.941 -4.036 1.00 0.00 O ATOM 130 CB GLU A 12 -2.782 -26.651 -3.862 1.00 0.00 C ATOM 131 CG GLU A 12 -1.831 -27.015 -2.720 1.00 0.00 C ATOM 132 CD GLU A 12 -0.508 -27.562 -3.260 1.00 0.00 C ATOM 133 OE1 GLU A 12 0.053 -26.901 -4.161 1.00 0.00 O ATOM 134 OE2 GLU A 12 -0.088 -28.628 -2.761 1.00 0.00 O ATOM 0 H GLU A 12 -5.380 -26.068 -5.002 1.00 0.00 H new ATOM 0 HA GLU A 12 -4.263 -26.612 -2.330 1.00 0.00 H new ATOM 0 HB2 GLU A 12 -2.928 -27.516 -4.508 1.00 0.00 H new ATOM 0 HB3 GLU A 12 -2.337 -25.867 -4.475 1.00 0.00 H new ATOM 0 HG2 GLU A 12 -1.641 -26.135 -2.106 1.00 0.00 H new ATOM 0 HG3 GLU A 12 -2.300 -27.758 -2.075 1.00 0.00 H new ATOM 141 N VAL A 13 -4.802 -24.201 -2.117 1.00 0.00 N ATOM 142 CA VAL A 13 -4.913 -22.775 -1.861 1.00 0.00 C ATOM 143 C VAL A 13 -4.030 -22.404 -0.668 1.00 0.00 C ATOM 144 O VAL A 13 -3.220 -23.212 -0.216 1.00 0.00 O ATOM 145 CB VAL A 13 -6.381 -22.392 -1.661 1.00 0.00 C ATOM 146 CG1 VAL A 13 -6.944 -21.707 -2.907 1.00 0.00 C ATOM 147 CG2 VAL A 13 -7.219 -23.615 -1.281 1.00 0.00 C ATOM 0 H VAL A 13 -5.244 -24.796 -1.416 1.00 0.00 H new ATOM 0 HA VAL A 13 -4.556 -22.204 -2.718 1.00 0.00 H new ATOM 0 HB VAL A 13 -6.433 -21.681 -0.837 1.00 0.00 H new ATOM 0 HG11 VAL A 13 -7.989 -21.445 -2.738 1.00 0.00 H new ATOM 0 HG12 VAL A 13 -6.372 -20.802 -3.115 1.00 0.00 H new ATOM 0 HG13 VAL A 13 -6.873 -22.384 -3.758 1.00 0.00 H new ATOM 0 HG21 VAL A 13 -8.258 -23.316 -1.145 1.00 0.00 H new ATOM 0 HG22 VAL A 13 -7.157 -24.359 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 13 -6.839 -24.042 -0.353 1.00 0.00 H new ATOM 157 N ASP A 14 -4.217 -21.182 -0.192 1.00 0.00 N ATOM 158 CA ASP A 14 -3.447 -20.694 0.940 1.00 0.00 C ATOM 159 C ASP A 14 -4.013 -21.291 2.231 1.00 0.00 C ATOM 160 O ASP A 14 -5.228 -21.328 2.421 1.00 0.00 O ATOM 161 CB ASP A 14 -3.531 -19.170 1.048 1.00 0.00 C ATOM 162 CG ASP A 14 -2.255 -18.424 0.653 1.00 0.00 C ATOM 163 OD1 ASP A 14 -1.196 -19.088 0.619 1.00 0.00 O ATOM 164 OD2 ASP A 14 -2.367 -17.206 0.395 1.00 0.00 O ATOM 0 H ASP A 14 -4.890 -20.515 -0.569 1.00 0.00 H new ATOM 0 HA ASP A 14 -2.408 -20.988 0.793 1.00 0.00 H new ATOM 0 HB2 ASP A 14 -4.349 -18.820 0.418 1.00 0.00 H new ATOM 0 HB3 ASP A 14 -3.785 -18.907 2.075 1.00 0.00 H new ATOM 169 N LEU A 15 -3.106 -21.742 3.084 1.00 0.00 N ATOM 170 CA LEU A 15 -3.499 -22.335 4.351 1.00 0.00 C ATOM 171 C LEU A 15 -3.323 -21.304 5.468 1.00 0.00 C ATOM 172 O LEU A 15 -4.300 -20.736 5.952 1.00 0.00 O ATOM 173 CB LEU A 15 -2.736 -23.639 4.592 1.00 0.00 C ATOM 174 CG LEU A 15 -3.090 -24.804 3.665 1.00 0.00 C ATOM 175 CD1 LEU A 15 -4.538 -25.252 3.875 1.00 0.00 C ATOM 176 CD2 LEU A 15 -2.806 -24.449 2.204 1.00 0.00 C ATOM 0 H LEU A 15 -2.099 -21.709 2.923 1.00 0.00 H new ATOM 0 HA LEU A 15 -4.554 -22.609 4.332 1.00 0.00 H new ATOM 0 HB2 LEU A 15 -1.669 -23.436 4.497 1.00 0.00 H new ATOM 0 HB3 LEU A 15 -2.910 -23.954 5.621 1.00 0.00 H new ATOM 0 HG LEU A 15 -2.451 -25.649 3.921 1.00 0.00 H new ATOM 0 HD11 LEU A 15 -4.763 -26.081 3.204 1.00 0.00 H new ATOM 0 HD12 LEU A 15 -4.673 -25.574 4.908 1.00 0.00 H new ATOM 0 HD13 LEU A 15 -5.210 -24.421 3.663 1.00 0.00 H new ATOM 0 HD21 LEU A 15 -3.066 -25.294 1.567 1.00 0.00 H new ATOM 0 HD22 LEU A 15 -3.401 -23.582 1.918 1.00 0.00 H new ATOM 0 HD23 LEU A 15 -1.748 -24.218 2.085 1.00 0.00 H new ATOM 188 N ASN A 16 -2.070 -21.095 5.844 1.00 0.00 N ATOM 189 CA ASN A 16 -1.753 -20.142 6.895 1.00 0.00 C ATOM 190 C ASN A 16 -1.644 -18.741 6.291 1.00 0.00 C ATOM 191 O ASN A 16 -2.037 -17.758 6.918 1.00 0.00 O ATOM 192 CB ASN A 16 -0.415 -20.478 7.557 1.00 0.00 C ATOM 193 CG ASN A 16 -0.390 -21.930 8.037 1.00 0.00 C ATOM 194 OD1 ASN A 16 -1.190 -22.355 8.854 1.00 0.00 O ATOM 195 ND2 ASN A 16 0.571 -22.665 7.485 1.00 0.00 N ATOM 0 H ASN A 16 -1.262 -21.569 5.440 1.00 0.00 H new ATOM 0 HA ASN A 16 -2.546 -20.186 7.642 1.00 0.00 H new ATOM 0 HB2 ASN A 16 0.397 -20.311 6.849 1.00 0.00 H new ATOM 0 HB3 ASN A 16 -0.245 -19.809 8.401 1.00 0.00 H new ATOM 0 HD21 ASN A 16 0.671 -23.648 7.740 1.00 0.00 H new ATOM 0 HD22 ASN A 16 1.208 -22.246 6.807 1.00 0.00 H new ATOM 202 N ALA A 17 -1.108 -18.693 5.080 1.00 0.00 N ATOM 203 CA ALA A 17 -0.942 -17.428 4.384 1.00 0.00 C ATOM 204 C ALA A 17 -2.279 -16.684 4.362 1.00 0.00 C ATOM 205 O ALA A 17 -2.324 -15.475 4.585 1.00 0.00 O ATOM 206 CB ALA A 17 -0.395 -17.686 2.979 1.00 0.00 C ATOM 0 H ALA A 17 -0.783 -19.510 4.563 1.00 0.00 H new ATOM 0 HA ALA A 17 -0.221 -16.796 4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 17 -0.271 -16.737 2.457 1.00 0.00 H new ATOM 0 HB2 ALA A 17 0.569 -18.190 3.051 1.00 0.00 H new ATOM 0 HB3 ALA A 17 -1.093 -18.315 2.427 1.00 0.00 H new ATOM 212 N GLY A 18 -3.335 -17.437 4.091 1.00 0.00 N ATOM 213 CA GLY A 18 -4.669 -16.864 4.037 1.00 0.00 C ATOM 214 C GLY A 18 -4.912 -15.928 5.222 1.00 0.00 C ATOM 215 O GLY A 18 -5.114 -14.729 5.040 1.00 0.00 O ATOM 0 H GLY A 18 -3.294 -18.439 3.906 1.00 0.00 H new ATOM 0 HA2 GLY A 18 -4.795 -16.315 3.104 1.00 0.00 H new ATOM 0 HA3 GLY A 18 -5.412 -17.662 4.041 1.00 0.00 H new ATOM 219 N LEU A 19 -4.885 -16.512 6.411 1.00 0.00 N ATOM 220 CA LEU A 19 -5.100 -15.746 7.627 1.00 0.00 C ATOM 221 C LEU A 19 -4.192 -14.514 7.615 1.00 0.00 C ATOM 222 O LEU A 19 -4.654 -13.395 7.832 1.00 0.00 O ATOM 223 CB LEU A 19 -4.918 -16.633 8.859 1.00 0.00 C ATOM 224 CG LEU A 19 -5.619 -17.992 8.817 1.00 0.00 C ATOM 225 CD1 LEU A 19 -6.856 -17.943 7.917 1.00 0.00 C ATOM 226 CD2 LEU A 19 -4.649 -19.098 8.398 1.00 0.00 C ATOM 0 H LEU A 19 -4.717 -17.507 6.558 1.00 0.00 H new ATOM 0 HA LEU A 19 -6.127 -15.385 7.673 1.00 0.00 H new ATOM 0 HB2 LEU A 19 -3.851 -16.801 9.007 1.00 0.00 H new ATOM 0 HB3 LEU A 19 -5.278 -16.088 9.731 1.00 0.00 H new ATOM 0 HG LEU A 19 -5.962 -18.230 9.824 1.00 0.00 H new ATOM 0 HD11 LEU A 19 -7.336 -18.922 7.905 1.00 0.00 H new ATOM 0 HD12 LEU A 19 -7.556 -17.201 8.301 1.00 0.00 H new ATOM 0 HD13 LEU A 19 -6.558 -17.672 6.904 1.00 0.00 H new ATOM 0 HD21 LEU A 19 -5.174 -20.053 8.376 1.00 0.00 H new ATOM 0 HD22 LEU A 19 -4.254 -18.879 7.406 1.00 0.00 H new ATOM 0 HD23 LEU A 19 -3.827 -19.151 9.112 1.00 0.00 H new ATOM 238 N HIS A 20 -2.915 -14.763 7.361 1.00 0.00 N ATOM 239 CA HIS A 20 -1.938 -13.688 7.319 1.00 0.00 C ATOM 240 C HIS A 20 -2.398 -12.614 6.331 1.00 0.00 C ATOM 241 O HIS A 20 -2.598 -11.461 6.711 1.00 0.00 O ATOM 242 CB HIS A 20 -0.545 -14.233 6.995 1.00 0.00 C ATOM 243 CG HIS A 20 0.155 -14.868 8.173 1.00 0.00 C ATOM 244 ND1 HIS A 20 1.276 -14.314 8.766 1.00 0.00 N ATOM 245 CD2 HIS A 20 -0.119 -16.013 8.861 1.00 0.00 C ATOM 246 CE1 HIS A 20 1.652 -15.100 9.764 1.00 0.00 C ATOM 247 NE2 HIS A 20 0.786 -16.152 9.822 1.00 0.00 N ATOM 0 H HIS A 20 -2.535 -15.693 7.182 1.00 0.00 H new ATOM 0 HA HIS A 20 -1.864 -13.221 8.301 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -0.631 -14.970 6.196 1.00 0.00 H new ATOM 0 HB3 HIS A 20 0.073 -13.420 6.614 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -0.934 -16.692 8.658 1.00 0.00 H new ATOM 0 HE1 HIS A 20 2.496 -14.936 10.417 1.00 0.00 H new ATOM 0 HE2 HIS A 20 0.827 -16.919 10.493 1.00 0.00 H new ATOM 255 N GLY A 21 -2.554 -13.031 5.083 1.00 0.00 N ATOM 256 CA GLY A 21 -2.987 -12.118 4.038 1.00 0.00 C ATOM 257 C GLY A 21 -1.887 -11.918 2.994 1.00 0.00 C ATOM 258 O GLY A 21 -0.805 -11.428 3.313 1.00 0.00 O ATOM 0 H GLY A 21 -2.388 -13.988 4.772 1.00 0.00 H new ATOM 0 HA2 GLY A 21 -3.883 -12.509 3.557 1.00 0.00 H new ATOM 0 HA3 GLY A 21 -3.255 -11.157 4.478 1.00 0.00 H new ATOM 262 N ASN A 22 -2.201 -12.308 1.768 1.00 0.00 N ATOM 263 CA ASN A 22 -1.253 -12.178 0.675 1.00 0.00 C ATOM 264 C ASN A 22 -1.438 -10.815 0.005 1.00 0.00 C ATOM 265 O ASN A 22 -1.438 -10.717 -1.221 1.00 0.00 O ATOM 266 CB ASN A 22 -1.480 -13.259 -0.384 1.00 0.00 C ATOM 267 CG ASN A 22 -0.149 -13.782 -0.928 1.00 0.00 C ATOM 268 OD1 ASN A 22 0.514 -14.612 -0.327 1.00 0.00 O ATOM 269 ND2 ASN A 22 0.204 -13.251 -2.095 1.00 0.00 N ATOM 0 H ASN A 22 -3.099 -12.714 1.507 1.00 0.00 H new ATOM 0 HA ASN A 22 -0.249 -12.281 1.086 1.00 0.00 H new ATOM 0 HB2 ASN A 22 -2.049 -14.082 0.048 1.00 0.00 H new ATOM 0 HB3 ASN A 22 -2.077 -12.853 -1.201 1.00 0.00 H new ATOM 0 HD21 ASN A 22 1.077 -13.534 -2.541 1.00 0.00 H new ATOM 0 HD22 ASN A 22 -0.398 -12.561 -2.544 1.00 0.00 H new ATOM 276 N TRP A 23 -1.590 -9.797 0.839 1.00 0.00 N ATOM 277 CA TRP A 23 -1.776 -8.444 0.343 1.00 0.00 C ATOM 278 C TRP A 23 -0.398 -7.874 -0.002 1.00 0.00 C ATOM 279 O TRP A 23 0.352 -7.473 0.887 1.00 0.00 O ATOM 280 CB TRP A 23 -2.540 -7.588 1.355 1.00 0.00 C ATOM 281 CG TRP A 23 -4.051 -7.832 1.360 1.00 0.00 C ATOM 282 CD1 TRP A 23 -4.829 -8.167 2.399 1.00 0.00 C ATOM 283 CD2 TRP A 23 -4.940 -7.746 0.226 1.00 0.00 C ATOM 284 NE1 TRP A 23 -6.149 -8.302 2.019 1.00 0.00 N ATOM 285 CE2 TRP A 23 -6.218 -8.038 0.656 1.00 0.00 C ATOM 286 CE3 TRP A 23 -4.672 -7.431 -1.118 1.00 0.00 C ATOM 287 CZ2 TRP A 23 -7.330 -8.044 -0.195 1.00 0.00 C ATOM 288 CZ3 TRP A 23 -5.794 -7.442 -1.955 1.00 0.00 C ATOM 289 CH2 TRP A 23 -7.087 -7.734 -1.538 1.00 0.00 C ATOM 0 H TRP A 23 -1.588 -9.882 1.855 1.00 0.00 H new ATOM 0 HA TRP A 23 -2.389 -8.445 -0.558 1.00 0.00 H new ATOM 0 HB2 TRP A 23 -2.147 -7.785 2.352 1.00 0.00 H new ATOM 0 HB3 TRP A 23 -2.353 -6.536 1.141 1.00 0.00 H new ATOM 0 HD1 TRP A 23 -4.468 -8.313 3.406 1.00 0.00 H new ATOM 0 HE1 TRP A 23 -6.930 -8.550 2.626 1.00 0.00 H new ATOM 0 HE3 TRP A 23 -3.680 -7.199 -1.476 1.00 0.00 H new ATOM 0 HZ2 TRP A 23 -8.321 -8.275 0.165 1.00 0.00 H new ATOM 0 HZ3 TRP A 23 -5.644 -7.207 -2.998 1.00 0.00 H new ATOM 0 HH2 TRP A 23 -7.901 -7.722 -2.247 1.00 0.00 H new ATOM 300 N THR A 24 -0.107 -7.856 -1.294 1.00 0.00 N ATOM 301 CA THR A 24 1.167 -7.341 -1.767 1.00 0.00 C ATOM 302 C THR A 24 0.997 -5.928 -2.329 1.00 0.00 C ATOM 303 O THR A 24 -0.041 -5.607 -2.905 1.00 0.00 O ATOM 304 CB THR A 24 1.730 -8.336 -2.785 1.00 0.00 C ATOM 305 OG1 THR A 24 1.046 -8.019 -3.994 1.00 0.00 O ATOM 306 CG2 THR A 24 1.313 -9.777 -2.487 1.00 0.00 C ATOM 0 H THR A 24 -0.731 -8.190 -2.028 1.00 0.00 H new ATOM 0 HA THR A 24 1.883 -7.248 -0.951 1.00 0.00 H new ATOM 0 HB THR A 24 2.818 -8.268 -2.796 1.00 0.00 H new ATOM 0 HG1 THR A 24 0.390 -8.720 -4.192 1.00 0.00 H new ATOM 0 HG21 THR A 24 1.739 -10.442 -3.239 1.00 0.00 H new ATOM 0 HG22 THR A 24 1.677 -10.064 -1.500 1.00 0.00 H new ATOM 0 HG23 THR A 24 0.226 -9.853 -2.509 1.00 0.00 H new ATOM 314 N LEU A 25 2.031 -5.123 -2.140 1.00 0.00 N ATOM 315 CA LEU A 25 2.009 -3.752 -2.621 1.00 0.00 C ATOM 316 C LEU A 25 1.230 -3.689 -3.936 1.00 0.00 C ATOM 317 O LEU A 25 0.511 -2.724 -4.191 1.00 0.00 O ATOM 318 CB LEU A 25 3.431 -3.196 -2.721 1.00 0.00 C ATOM 319 CG LEU A 25 4.030 -2.646 -1.425 1.00 0.00 C ATOM 320 CD1 LEU A 25 5.507 -3.024 -1.299 1.00 0.00 C ATOM 321 CD2 LEU A 25 3.814 -1.135 -1.318 1.00 0.00 C ATOM 0 H LEU A 25 2.890 -5.393 -1.660 1.00 0.00 H new ATOM 0 HA LEU A 25 1.489 -3.108 -1.912 1.00 0.00 H new ATOM 0 HB2 LEU A 25 4.083 -3.986 -3.092 1.00 0.00 H new ATOM 0 HB3 LEU A 25 3.437 -2.401 -3.467 1.00 0.00 H new ATOM 0 HG LEU A 25 3.507 -3.106 -0.586 1.00 0.00 H new ATOM 0 HD11 LEU A 25 5.908 -2.621 -0.369 1.00 0.00 H new ATOM 0 HD12 LEU A 25 5.606 -4.110 -1.296 1.00 0.00 H new ATOM 0 HD13 LEU A 25 6.061 -2.612 -2.142 1.00 0.00 H new ATOM 0 HD21 LEU A 25 4.249 -0.770 -0.388 1.00 0.00 H new ATOM 0 HD22 LEU A 25 4.293 -0.638 -2.162 1.00 0.00 H new ATOM 0 HD23 LEU A 25 2.746 -0.919 -1.328 1.00 0.00 H new ATOM 333 N GLU A 26 1.400 -4.731 -4.738 1.00 0.00 N ATOM 334 CA GLU A 26 0.722 -4.806 -6.020 1.00 0.00 C ATOM 335 C GLU A 26 -0.790 -4.922 -5.816 1.00 0.00 C ATOM 336 O GLU A 26 -1.544 -4.041 -6.227 1.00 0.00 O ATOM 337 CB GLU A 26 1.253 -5.975 -6.853 1.00 0.00 C ATOM 338 CG GLU A 26 2.338 -5.507 -7.826 1.00 0.00 C ATOM 339 CD GLU A 26 2.876 -6.677 -8.652 1.00 0.00 C ATOM 340 OE1 GLU A 26 3.827 -7.325 -8.165 1.00 0.00 O ATOM 341 OE2 GLU A 26 2.324 -6.896 -9.751 1.00 0.00 O ATOM 0 H GLU A 26 1.997 -5.530 -4.524 1.00 0.00 H new ATOM 0 HA GLU A 26 0.925 -3.887 -6.570 1.00 0.00 H new ATOM 0 HB2 GLU A 26 1.658 -6.742 -6.193 1.00 0.00 H new ATOM 0 HB3 GLU A 26 0.434 -6.432 -7.408 1.00 0.00 H new ATOM 0 HG2 GLU A 26 1.931 -4.745 -8.491 1.00 0.00 H new ATOM 0 HG3 GLU A 26 3.154 -5.044 -7.271 1.00 0.00 H new ATOM 348 N ASN A 27 -1.187 -6.014 -5.180 1.00 0.00 N ATOM 349 CA ASN A 27 -2.595 -6.256 -4.916 1.00 0.00 C ATOM 350 C ASN A 27 -3.209 -5.013 -4.267 1.00 0.00 C ATOM 351 O ASN A 27 -4.101 -4.387 -4.838 1.00 0.00 O ATOM 352 CB ASN A 27 -2.782 -7.432 -3.955 1.00 0.00 C ATOM 353 CG ASN A 27 -2.146 -8.705 -4.517 1.00 0.00 C ATOM 354 OD1 ASN A 27 -1.273 -9.311 -3.918 1.00 0.00 O ATOM 355 ND2 ASN A 27 -2.632 -9.076 -5.698 1.00 0.00 N ATOM 0 H ASN A 27 -0.558 -6.741 -4.840 1.00 0.00 H new ATOM 0 HA ASN A 27 -3.081 -6.485 -5.864 1.00 0.00 H new ATOM 0 HB2 ASN A 27 -2.334 -7.193 -2.990 1.00 0.00 H new ATOM 0 HB3 ASN A 27 -3.845 -7.599 -3.781 1.00 0.00 H new ATOM 0 HD21 ASN A 27 -2.274 -9.914 -6.157 1.00 0.00 H new ATOM 0 HD22 ASN A 27 -3.363 -8.523 -6.145 1.00 0.00 H new ATOM 362 N ALA A 28 -2.706 -4.693 -3.084 1.00 0.00 N ATOM 363 CA ALA A 28 -3.193 -3.537 -2.352 1.00 0.00 C ATOM 364 C ALA A 28 -3.489 -2.403 -3.336 1.00 0.00 C ATOM 365 O ALA A 28 -4.639 -1.994 -3.488 1.00 0.00 O ATOM 366 CB ALA A 28 -2.167 -3.135 -1.291 1.00 0.00 C ATOM 0 H ALA A 28 -1.966 -5.214 -2.614 1.00 0.00 H new ATOM 0 HA ALA A 28 -4.122 -3.775 -1.834 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -2.533 -2.267 -0.742 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -2.014 -3.964 -0.600 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -1.222 -2.887 -1.774 1.00 0.00 H new ATOM 372 N LYS A 29 -2.432 -1.929 -3.978 1.00 0.00 N ATOM 373 CA LYS A 29 -2.564 -0.850 -4.943 1.00 0.00 C ATOM 374 C LYS A 29 -3.818 -1.080 -5.789 1.00 0.00 C ATOM 375 O LYS A 29 -4.829 -0.403 -5.603 1.00 0.00 O ATOM 376 CB LYS A 29 -1.284 -0.709 -5.768 1.00 0.00 C ATOM 377 CG LYS A 29 -1.467 0.307 -6.896 1.00 0.00 C ATOM 378 CD LYS A 29 -0.350 1.352 -6.880 1.00 0.00 C ATOM 379 CE LYS A 29 -0.837 2.666 -6.266 1.00 0.00 C ATOM 380 NZ LYS A 29 -1.108 3.665 -7.324 1.00 0.00 N ATOM 0 H LYS A 29 -1.480 -2.272 -3.849 1.00 0.00 H new ATOM 0 HA LYS A 29 -2.693 0.104 -4.432 1.00 0.00 H new ATOM 0 HB2 LYS A 29 -0.464 -0.396 -5.122 1.00 0.00 H new ATOM 0 HB3 LYS A 29 -1.009 -1.677 -6.187 1.00 0.00 H new ATOM 0 HG2 LYS A 29 -1.474 -0.208 -7.857 1.00 0.00 H new ATOM 0 HG3 LYS A 29 -2.433 0.801 -6.792 1.00 0.00 H new ATOM 0 HD2 LYS A 29 0.499 0.973 -6.311 1.00 0.00 H new ATOM 0 HD3 LYS A 29 0.001 1.530 -7.896 1.00 0.00 H new ATOM 0 HE2 LYS A 29 -1.742 2.489 -5.685 1.00 0.00 H new ATOM 0 HE3 LYS A 29 -0.086 3.052 -5.577 1.00 0.00 H new ATOM 0 HZ1 LYS A 29 -1.697 4.430 -6.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 29 -0.209 4.060 -7.667 1.00 0.00 H new ATOM 0 HZ3 LYS A 29 -1.609 3.208 -8.113 1.00 0.00 H new ATOM 394 N ALA A 30 -3.712 -2.036 -6.699 1.00 0.00 N ATOM 395 CA ALA A 30 -4.825 -2.364 -7.574 1.00 0.00 C ATOM 396 C ALA A 30 -6.125 -2.342 -6.768 1.00 0.00 C ATOM 397 O ALA A 30 -7.003 -1.519 -7.021 1.00 0.00 O ATOM 398 CB ALA A 30 -4.572 -3.719 -8.237 1.00 0.00 C ATOM 0 H ALA A 30 -2.872 -2.595 -6.850 1.00 0.00 H new ATOM 0 HA ALA A 30 -4.918 -1.625 -8.370 1.00 0.00 H new ATOM 0 HB1 ALA A 30 -5.407 -3.965 -8.893 1.00 0.00 H new ATOM 0 HB2 ALA A 30 -3.653 -3.672 -8.821 1.00 0.00 H new ATOM 0 HB3 ALA A 30 -4.475 -4.487 -7.470 1.00 0.00 H new ATOM 404 N ARG A 31 -6.208 -3.257 -5.814 1.00 0.00 N ATOM 405 CA ARG A 31 -7.386 -3.354 -4.969 1.00 0.00 C ATOM 406 C ARG A 31 -7.941 -1.960 -4.671 1.00 0.00 C ATOM 407 O ARG A 31 -9.090 -1.663 -4.997 1.00 0.00 O ATOM 408 CB ARG A 31 -7.062 -4.059 -3.650 1.00 0.00 C ATOM 409 CG ARG A 31 -8.166 -5.048 -3.271 1.00 0.00 C ATOM 410 CD ARG A 31 -9.372 -4.320 -2.673 1.00 0.00 C ATOM 411 NE ARG A 31 -10.399 -5.301 -2.257 1.00 0.00 N ATOM 412 CZ ARG A 31 -11.245 -5.908 -3.101 1.00 0.00 C ATOM 413 NH1 ARG A 31 -11.190 -5.639 -4.412 1.00 0.00 N ATOM 414 NH2 ARG A 31 -12.144 -6.785 -2.634 1.00 0.00 N ATOM 0 H ARG A 31 -5.478 -3.939 -5.607 1.00 0.00 H new ATOM 0 HA ARG A 31 -8.132 -3.939 -5.506 1.00 0.00 H new ATOM 0 HB2 ARG A 31 -6.112 -4.586 -3.739 1.00 0.00 H new ATOM 0 HB3 ARG A 31 -6.944 -3.320 -2.858 1.00 0.00 H new ATOM 0 HG2 ARG A 31 -8.476 -5.609 -4.153 1.00 0.00 H new ATOM 0 HG3 ARG A 31 -7.780 -5.771 -2.553 1.00 0.00 H new ATOM 0 HD2 ARG A 31 -9.059 -3.723 -1.816 1.00 0.00 H new ATOM 0 HD3 ARG A 31 -9.791 -3.631 -3.406 1.00 0.00 H new ATOM 0 HE ARG A 31 -10.467 -5.530 -1.265 1.00 0.00 H new ATOM 0 HH11 ARG A 31 -10.505 -4.973 -4.768 1.00 0.00 H new ATOM 0 HH12 ARG A 31 -11.834 -6.101 -5.055 1.00 0.00 H new ATOM 0 HH21 ARG A 31 -12.185 -6.991 -1.636 1.00 0.00 H new ATOM 0 HH22 ARG A 31 -12.788 -7.247 -3.277 1.00 0.00 H new ATOM 428 N LEU A 32 -7.100 -1.142 -4.056 1.00 0.00 N ATOM 429 CA LEU A 32 -7.493 0.214 -3.711 1.00 0.00 C ATOM 430 C LEU A 32 -8.313 0.810 -4.856 1.00 0.00 C ATOM 431 O LEU A 32 -9.459 1.212 -4.660 1.00 0.00 O ATOM 432 CB LEU A 32 -6.266 1.048 -3.335 1.00 0.00 C ATOM 433 CG LEU A 32 -6.546 2.359 -2.598 1.00 0.00 C ATOM 434 CD1 LEU A 32 -7.323 2.105 -1.304 1.00 0.00 C ATOM 435 CD2 LEU A 32 -5.252 3.134 -2.346 1.00 0.00 C ATOM 0 H LEU A 32 -6.148 -1.392 -3.788 1.00 0.00 H new ATOM 0 HA LEU A 32 -8.132 0.212 -2.828 1.00 0.00 H new ATOM 0 HB2 LEU A 32 -5.613 0.437 -2.712 1.00 0.00 H new ATOM 0 HB3 LEU A 32 -5.714 1.277 -4.247 1.00 0.00 H new ATOM 0 HG LEU A 32 -7.175 2.981 -3.235 1.00 0.00 H new ATOM 0 HD11 LEU A 32 -7.509 3.053 -0.799 1.00 0.00 H new ATOM 0 HD12 LEU A 32 -8.274 1.626 -1.538 1.00 0.00 H new ATOM 0 HD13 LEU A 32 -6.740 1.455 -0.651 1.00 0.00 H new ATOM 0 HD21 LEU A 32 -5.480 4.062 -1.821 1.00 0.00 H new ATOM 0 HD22 LEU A 32 -4.578 2.529 -1.739 1.00 0.00 H new ATOM 0 HD23 LEU A 32 -4.774 3.364 -3.298 1.00 0.00 H new ATOM 447 N ASN A 33 -7.695 0.849 -6.028 1.00 0.00 N ATOM 448 CA ASN A 33 -8.354 1.389 -7.205 1.00 0.00 C ATOM 449 C ASN A 33 -9.690 0.672 -7.409 1.00 0.00 C ATOM 450 O ASN A 33 -10.689 1.301 -7.755 1.00 0.00 O ATOM 451 CB ASN A 33 -7.505 1.173 -8.459 1.00 0.00 C ATOM 452 CG ASN A 33 -8.186 1.771 -9.692 1.00 0.00 C ATOM 453 OD1 ASN A 33 -8.700 2.877 -9.673 1.00 0.00 O ATOM 454 ND2 ASN A 33 -8.162 0.980 -10.760 1.00 0.00 N ATOM 0 H ASN A 33 -6.744 0.515 -6.187 1.00 0.00 H new ATOM 0 HA ASN A 33 -8.501 2.458 -7.049 1.00 0.00 H new ATOM 0 HB2 ASN A 33 -6.525 1.631 -8.322 1.00 0.00 H new ATOM 0 HB3 ASN A 33 -7.340 0.106 -8.612 1.00 0.00 H new ATOM 0 HD21 ASN A 33 -8.591 1.288 -11.633 1.00 0.00 H new ATOM 0 HD22 ASN A 33 -7.714 0.065 -10.707 1.00 0.00 H new ATOM 461 N GLN A 34 -9.665 -0.634 -7.188 1.00 0.00 N ATOM 462 CA GLN A 34 -10.862 -1.442 -7.344 1.00 0.00 C ATOM 463 C GLN A 34 -11.944 -0.984 -6.363 1.00 0.00 C ATOM 464 O GLN A 34 -13.097 -0.799 -6.748 1.00 0.00 O ATOM 465 CB GLN A 34 -10.548 -2.928 -7.159 1.00 0.00 C ATOM 466 CG GLN A 34 -10.484 -3.647 -8.508 1.00 0.00 C ATOM 467 CD GLN A 34 -11.887 -3.870 -9.078 1.00 0.00 C ATOM 468 OE1 GLN A 34 -12.594 -4.794 -8.712 1.00 0.00 O ATOM 469 NE2 GLN A 34 -12.248 -2.973 -9.991 1.00 0.00 N ATOM 0 H GLN A 34 -8.835 -1.153 -6.902 1.00 0.00 H new ATOM 0 HA GLN A 34 -11.238 -1.307 -8.358 1.00 0.00 H new ATOM 0 HB2 GLN A 34 -9.597 -3.040 -6.638 1.00 0.00 H new ATOM 0 HB3 GLN A 34 -11.312 -3.389 -6.533 1.00 0.00 H new ATOM 0 HG2 GLN A 34 -9.892 -3.059 -9.210 1.00 0.00 H new ATOM 0 HG3 GLN A 34 -9.979 -4.606 -8.390 1.00 0.00 H new ATOM 0 HE21 GLN A 34 -11.607 -2.224 -10.251 1.00 0.00 H new ATOM 0 HE22 GLN A 34 -13.166 -3.034 -10.431 1.00 0.00 H new ATOM 478 N TYR A 35 -11.532 -0.815 -5.115 1.00 0.00 N ATOM 479 CA TYR A 35 -12.452 -0.382 -4.076 1.00 0.00 C ATOM 480 C TYR A 35 -13.112 0.947 -4.448 1.00 0.00 C ATOM 481 O TYR A 35 -14.242 1.218 -4.042 1.00 0.00 O ATOM 482 CB TYR A 35 -11.603 -0.183 -2.819 1.00 0.00 C ATOM 483 CG TYR A 35 -12.347 0.500 -1.669 1.00 0.00 C ATOM 484 CD1 TYR A 35 -13.134 -0.247 -0.816 1.00 0.00 C ATOM 485 CD2 TYR A 35 -12.230 1.862 -1.484 1.00 0.00 C ATOM 486 CE1 TYR A 35 -13.834 0.395 0.266 1.00 0.00 C ATOM 487 CE2 TYR A 35 -12.929 2.505 -0.401 1.00 0.00 C ATOM 488 CZ TYR A 35 -13.697 1.739 0.420 1.00 0.00 C ATOM 489 OH TYR A 35 -14.357 2.346 1.443 1.00 0.00 O ATOM 0 H TYR A 35 -10.574 -0.970 -4.800 1.00 0.00 H new ATOM 0 HA TYR A 35 -13.245 -1.117 -3.933 1.00 0.00 H new ATOM 0 HB2 TYR A 35 -11.242 -1.154 -2.479 1.00 0.00 H new ATOM 0 HB3 TYR A 35 -10.726 0.412 -3.075 1.00 0.00 H new ATOM 0 HD1 TYR A 35 -13.225 -1.313 -0.960 1.00 0.00 H new ATOM 0 HD2 TYR A 35 -11.614 2.446 -2.151 1.00 0.00 H new ATOM 0 HE1 TYR A 35 -14.454 -0.178 0.940 1.00 0.00 H new ATOM 0 HE2 TYR A 35 -12.845 3.570 -0.244 1.00 0.00 H new ATOM 0 HH TYR A 35 -14.760 1.666 2.022 1.00 0.00 H new ATOM 499 N PHE A 36 -12.380 1.741 -5.215 1.00 0.00 N ATOM 500 CA PHE A 36 -12.880 3.036 -5.645 1.00 0.00 C ATOM 501 C PHE A 36 -13.696 2.907 -6.933 1.00 0.00 C ATOM 502 O PHE A 36 -14.642 3.663 -7.151 1.00 0.00 O ATOM 503 CB PHE A 36 -11.661 3.920 -5.915 1.00 0.00 C ATOM 504 CG PHE A 36 -10.852 4.262 -4.662 1.00 0.00 C ATOM 505 CD1 PHE A 36 -11.481 4.410 -3.466 1.00 0.00 C ATOM 506 CD2 PHE A 36 -9.503 4.416 -4.745 1.00 0.00 C ATOM 507 CE1 PHE A 36 -10.729 4.728 -2.303 1.00 0.00 C ATOM 508 CE2 PHE A 36 -8.752 4.734 -3.583 1.00 0.00 C ATOM 509 CZ PHE A 36 -9.381 4.882 -2.386 1.00 0.00 C ATOM 0 H PHE A 36 -11.444 1.513 -5.550 1.00 0.00 H new ATOM 0 HA PHE A 36 -13.527 3.459 -4.876 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -11.010 3.416 -6.629 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -11.993 4.846 -6.385 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -12.552 4.286 -3.400 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -9.003 4.296 -5.695 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -11.229 4.847 -1.353 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -7.681 4.858 -3.649 1.00 0.00 H new ATOM 0 HZ PHE A 36 -8.809 5.122 -1.502 1.00 0.00 H new ATOM 519 N GLN A 37 -13.301 1.944 -7.753 1.00 0.00 N ATOM 520 CA GLN A 37 -13.984 1.707 -9.013 1.00 0.00 C ATOM 521 C GLN A 37 -15.326 1.013 -8.768 1.00 0.00 C ATOM 522 O GLN A 37 -16.290 1.244 -9.495 1.00 0.00 O ATOM 523 CB GLN A 37 -13.110 0.887 -9.965 1.00 0.00 C ATOM 524 CG GLN A 37 -12.107 1.782 -10.695 1.00 0.00 C ATOM 525 CD GLN A 37 -12.211 1.599 -12.211 1.00 0.00 C ATOM 526 OE1 GLN A 37 -11.787 0.602 -12.772 1.00 0.00 O ATOM 527 NE2 GLN A 37 -12.796 2.614 -12.840 1.00 0.00 N ATOM 0 H GLN A 37 -12.516 1.319 -7.569 1.00 0.00 H new ATOM 0 HA GLN A 37 -14.176 2.670 -9.486 1.00 0.00 H new ATOM 0 HB2 GLN A 37 -12.577 0.119 -9.405 1.00 0.00 H new ATOM 0 HB3 GLN A 37 -13.740 0.373 -10.691 1.00 0.00 H new ATOM 0 HG2 GLN A 37 -12.290 2.825 -10.438 1.00 0.00 H new ATOM 0 HG3 GLN A 37 -11.095 1.545 -10.365 1.00 0.00 H new ATOM 0 HE21 GLN A 37 -13.129 3.419 -12.309 1.00 0.00 H new ATOM 0 HE22 GLN A 37 -12.912 2.587 -13.853 1.00 0.00 H new ATOM 536 N LYS A 38 -15.345 0.178 -7.739 1.00 0.00 N ATOM 537 CA LYS A 38 -16.552 -0.550 -7.389 1.00 0.00 C ATOM 538 C LYS A 38 -17.508 0.384 -6.645 1.00 0.00 C ATOM 539 O LYS A 38 -18.668 0.525 -7.029 1.00 0.00 O ATOM 540 CB LYS A 38 -16.204 -1.821 -6.610 1.00 0.00 C ATOM 541 CG LYS A 38 -16.464 -3.070 -7.455 1.00 0.00 C ATOM 542 CD LYS A 38 -17.963 -3.270 -7.691 1.00 0.00 C ATOM 543 CE LYS A 38 -18.499 -4.432 -6.852 1.00 0.00 C ATOM 544 NZ LYS A 38 -19.550 -5.165 -7.593 1.00 0.00 N ATOM 0 H LYS A 38 -14.544 -0.010 -7.137 1.00 0.00 H new ATOM 0 HA LYS A 38 -17.069 -0.886 -8.288 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -15.157 -1.792 -6.309 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -16.797 -1.866 -5.696 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -15.950 -2.979 -8.412 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -16.051 -3.945 -6.953 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -18.500 -2.356 -7.438 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -18.146 -3.465 -8.748 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -17.685 -5.111 -6.598 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -18.904 -4.054 -5.913 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -19.903 -5.950 -7.009 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -20.334 -4.518 -7.814 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -19.153 -5.542 -8.477 1.00 0.00 H new ATOM 558 N GLU A 39 -16.986 0.999 -5.594 1.00 0.00 N ATOM 559 CA GLU A 39 -17.778 1.916 -4.793 1.00 0.00 C ATOM 560 C GLU A 39 -18.040 3.209 -5.569 1.00 0.00 C ATOM 561 O GLU A 39 -18.913 3.993 -5.201 1.00 0.00 O ATOM 562 CB GLU A 39 -17.095 2.208 -3.456 1.00 0.00 C ATOM 563 CG GLU A 39 -17.268 1.039 -2.485 1.00 0.00 C ATOM 564 CD GLU A 39 -18.642 1.083 -1.813 1.00 0.00 C ATOM 565 OE1 GLU A 39 -19.632 0.813 -2.528 1.00 0.00 O ATOM 566 OE2 GLU A 39 -18.672 1.386 -0.601 1.00 0.00 O ATOM 0 H GLU A 39 -16.023 0.880 -5.279 1.00 0.00 H new ATOM 0 HA GLU A 39 -18.736 1.444 -4.578 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -16.034 2.396 -3.619 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -17.516 3.114 -3.019 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -17.151 0.097 -3.020 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -16.487 1.074 -1.726 1.00 0.00 H new ATOM 573 N LYS A 40 -17.266 3.392 -6.629 1.00 0.00 N ATOM 574 CA LYS A 40 -17.403 4.576 -7.460 1.00 0.00 C ATOM 575 C LYS A 40 -16.806 5.779 -6.728 1.00 0.00 C ATOM 576 O LYS A 40 -17.092 6.925 -7.073 1.00 0.00 O ATOM 577 CB LYS A 40 -18.862 4.772 -7.878 1.00 0.00 C ATOM 578 CG LYS A 40 -19.487 3.448 -8.323 1.00 0.00 C ATOM 579 CD LYS A 40 -19.171 3.160 -9.792 1.00 0.00 C ATOM 580 CE LYS A 40 -20.348 3.545 -10.692 1.00 0.00 C ATOM 581 NZ LYS A 40 -19.899 4.451 -11.772 1.00 0.00 N ATOM 0 H LYS A 40 -16.542 2.740 -6.931 1.00 0.00 H new ATOM 0 HA LYS A 40 -16.843 4.457 -8.388 1.00 0.00 H new ATOM 0 HB2 LYS A 40 -19.431 5.185 -7.045 1.00 0.00 H new ATOM 0 HB3 LYS A 40 -18.917 5.496 -8.691 1.00 0.00 H new ATOM 0 HG2 LYS A 40 -19.111 2.636 -7.700 1.00 0.00 H new ATOM 0 HG3 LYS A 40 -20.567 3.485 -8.180 1.00 0.00 H new ATOM 0 HD2 LYS A 40 -18.282 3.715 -10.092 1.00 0.00 H new ATOM 0 HD3 LYS A 40 -18.943 2.102 -9.918 1.00 0.00 H new ATOM 0 HE2 LYS A 40 -20.793 2.648 -11.123 1.00 0.00 H new ATOM 0 HE3 LYS A 40 -21.123 4.032 -10.099 1.00 0.00 H new ATOM 0 HZ1 LYS A 40 -20.709 4.703 -12.373 1.00 0.00 H new ATOM 0 HZ2 LYS A 40 -19.496 5.314 -11.356 1.00 0.00 H new ATOM 0 HZ3 LYS A 40 -19.176 3.974 -12.347 1.00 0.00 H new ATOM 595 N ILE A 41 -15.989 5.478 -5.729 1.00 0.00 N ATOM 596 CA ILE A 41 -15.350 6.521 -4.945 1.00 0.00 C ATOM 597 C ILE A 41 -14.162 7.086 -5.727 1.00 0.00 C ATOM 598 O ILE A 41 -13.714 6.485 -6.702 1.00 0.00 O ATOM 599 CB ILE A 41 -14.978 5.996 -3.557 1.00 0.00 C ATOM 600 CG1 ILE A 41 -16.225 5.569 -2.780 1.00 0.00 C ATOM 601 CG2 ILE A 41 -14.147 7.024 -2.786 1.00 0.00 C ATOM 602 CD1 ILE A 41 -15.893 4.464 -1.775 1.00 0.00 C ATOM 0 H ILE A 41 -15.755 4.527 -5.445 1.00 0.00 H new ATOM 0 HA ILE A 41 -16.041 7.346 -4.774 1.00 0.00 H new ATOM 0 HB ILE A 41 -14.357 5.109 -3.683 1.00 0.00 H new ATOM 0 HG12 ILE A 41 -16.643 6.428 -2.256 1.00 0.00 H new ATOM 0 HG13 ILE A 41 -16.988 5.217 -3.474 1.00 0.00 H new ATOM 0 HG21 ILE A 41 -13.896 6.626 -1.803 1.00 0.00 H new ATOM 0 HG22 ILE A 41 -13.230 7.237 -3.336 1.00 0.00 H new ATOM 0 HG23 ILE A 41 -14.722 7.943 -2.669 1.00 0.00 H new ATOM 0 HD11 ILE A 41 -16.797 4.179 -1.236 1.00 0.00 H new ATOM 0 HD12 ILE A 41 -15.498 3.597 -2.305 1.00 0.00 H new ATOM 0 HD13 ILE A 41 -15.148 4.828 -1.067 1.00 0.00 H new ATOM 614 N GLN A 42 -13.686 8.235 -5.270 1.00 0.00 N ATOM 615 CA GLN A 42 -12.559 8.887 -5.915 1.00 0.00 C ATOM 616 C GLN A 42 -11.499 9.263 -4.878 1.00 0.00 C ATOM 617 O GLN A 42 -11.806 9.907 -3.876 1.00 0.00 O ATOM 618 CB GLN A 42 -13.015 10.117 -6.703 1.00 0.00 C ATOM 619 CG GLN A 42 -14.023 10.941 -5.899 1.00 0.00 C ATOM 620 CD GLN A 42 -14.627 12.056 -6.755 1.00 0.00 C ATOM 621 OE1 GLN A 42 -14.102 12.432 -7.791 1.00 0.00 O ATOM 622 NE2 GLN A 42 -15.756 12.562 -6.267 1.00 0.00 N ATOM 0 H GLN A 42 -14.060 8.731 -4.461 1.00 0.00 H new ATOM 0 HA GLN A 42 -12.115 8.187 -6.622 1.00 0.00 H new ATOM 0 HB2 GLN A 42 -12.152 10.734 -6.952 1.00 0.00 H new ATOM 0 HB3 GLN A 42 -13.465 9.803 -7.645 1.00 0.00 H new ATOM 0 HG2 GLN A 42 -14.816 10.291 -5.529 1.00 0.00 H new ATOM 0 HG3 GLN A 42 -13.532 11.373 -5.027 1.00 0.00 H new ATOM 0 HE21 GLN A 42 -16.141 12.201 -5.394 1.00 0.00 H new ATOM 0 HE22 GLN A 42 -16.237 13.311 -6.766 1.00 0.00 H new ATOM 631 N GLY A 43 -10.272 8.844 -5.153 1.00 0.00 N ATOM 632 CA GLY A 43 -9.165 9.128 -4.257 1.00 0.00 C ATOM 633 C GLY A 43 -7.853 9.268 -5.032 1.00 0.00 C ATOM 634 O GLY A 43 -7.573 8.477 -5.933 1.00 0.00 O ATOM 0 H GLY A 43 -10.021 8.310 -5.985 1.00 0.00 H new ATOM 0 HA2 GLY A 43 -9.365 10.047 -3.706 1.00 0.00 H new ATOM 0 HA3 GLY A 43 -9.073 8.329 -3.522 1.00 0.00 H new ATOM 638 N GLU A 44 -7.084 10.278 -4.655 1.00 0.00 N ATOM 639 CA GLU A 44 -5.809 10.531 -5.303 1.00 0.00 C ATOM 640 C GLU A 44 -4.673 10.478 -4.280 1.00 0.00 C ATOM 641 O GLU A 44 -4.912 10.571 -3.077 1.00 0.00 O ATOM 642 CB GLU A 44 -5.823 11.874 -6.037 1.00 0.00 C ATOM 643 CG GLU A 44 -6.185 11.689 -7.512 1.00 0.00 C ATOM 644 CD GLU A 44 -5.277 12.533 -8.409 1.00 0.00 C ATOM 645 OE1 GLU A 44 -5.014 13.692 -8.019 1.00 0.00 O ATOM 646 OE2 GLU A 44 -4.868 12.002 -9.463 1.00 0.00 O ATOM 0 H GLU A 44 -7.320 10.932 -3.908 1.00 0.00 H new ATOM 0 HA GLU A 44 -5.640 9.750 -6.045 1.00 0.00 H new ATOM 0 HB2 GLU A 44 -6.541 12.544 -5.564 1.00 0.00 H new ATOM 0 HB3 GLU A 44 -4.844 12.347 -5.956 1.00 0.00 H new ATOM 0 HG2 GLU A 44 -6.094 10.637 -7.783 1.00 0.00 H new ATOM 0 HG3 GLU A 44 -7.225 11.971 -7.673 1.00 0.00 H new ATOM 653 N TYR A 45 -3.461 10.328 -4.795 1.00 0.00 N ATOM 654 CA TYR A 45 -2.288 10.261 -3.941 1.00 0.00 C ATOM 655 C TYR A 45 -1.549 11.601 -3.918 1.00 0.00 C ATOM 656 O TYR A 45 -1.323 12.207 -4.965 1.00 0.00 O ATOM 657 CB TYR A 45 -1.376 9.200 -4.560 1.00 0.00 C ATOM 658 CG TYR A 45 -1.916 7.773 -4.446 1.00 0.00 C ATOM 659 CD1 TYR A 45 -1.611 7.006 -3.339 1.00 0.00 C ATOM 660 CD2 TYR A 45 -2.707 7.252 -5.449 1.00 0.00 C ATOM 661 CE1 TYR A 45 -2.119 5.663 -3.232 1.00 0.00 C ATOM 662 CE2 TYR A 45 -3.215 5.909 -5.342 1.00 0.00 C ATOM 663 CZ TYR A 45 -2.896 5.181 -4.239 1.00 0.00 C ATOM 664 OH TYR A 45 -3.376 3.912 -4.137 1.00 0.00 O ATOM 0 H TYR A 45 -3.267 10.251 -5.793 1.00 0.00 H new ATOM 0 HA TYR A 45 -2.572 10.022 -2.916 1.00 0.00 H new ATOM 0 HB2 TYR A 45 -1.223 9.437 -5.613 1.00 0.00 H new ATOM 0 HB3 TYR A 45 -0.400 9.248 -4.077 1.00 0.00 H new ATOM 0 HD1 TYR A 45 -0.992 7.413 -2.554 1.00 0.00 H new ATOM 0 HD2 TYR A 45 -2.945 7.852 -6.315 1.00 0.00 H new ATOM 0 HE1 TYR A 45 -1.888 5.052 -2.372 1.00 0.00 H new ATOM 0 HE2 TYR A 45 -3.835 5.490 -6.120 1.00 0.00 H new ATOM 0 HH TYR A 45 -3.707 3.616 -5.011 1.00 0.00 H new ATOM 674 N LYS A 46 -1.193 12.024 -2.714 1.00 0.00 N ATOM 675 CA LYS A 46 -0.485 13.280 -2.542 1.00 0.00 C ATOM 676 C LYS A 46 0.999 12.995 -2.298 1.00 0.00 C ATOM 677 O LYS A 46 1.382 12.568 -1.211 1.00 0.00 O ATOM 678 CB LYS A 46 -1.139 14.117 -1.441 1.00 0.00 C ATOM 679 CG LYS A 46 -1.228 15.589 -1.850 1.00 0.00 C ATOM 680 CD LYS A 46 -0.406 16.471 -0.909 1.00 0.00 C ATOM 681 CE LYS A 46 -1.229 17.663 -0.415 1.00 0.00 C ATOM 682 NZ LYS A 46 -0.340 18.770 0.000 1.00 0.00 N ATOM 0 H LYS A 46 -1.382 11.519 -1.848 1.00 0.00 H new ATOM 0 HA LYS A 46 -0.550 13.881 -3.449 1.00 0.00 H new ATOM 0 HB2 LYS A 46 -2.138 13.733 -1.232 1.00 0.00 H new ATOM 0 HB3 LYS A 46 -0.563 14.026 -0.520 1.00 0.00 H new ATOM 0 HG2 LYS A 46 -0.869 15.708 -2.872 1.00 0.00 H new ATOM 0 HG3 LYS A 46 -2.269 15.911 -1.839 1.00 0.00 H new ATOM 0 HD2 LYS A 46 -0.066 15.882 -0.057 1.00 0.00 H new ATOM 0 HD3 LYS A 46 0.485 16.829 -1.426 1.00 0.00 H new ATOM 0 HE2 LYS A 46 -1.898 18.003 -1.205 1.00 0.00 H new ATOM 0 HE3 LYS A 46 -1.855 17.358 0.423 1.00 0.00 H new ATOM 0 HZ1 LYS A 46 -0.915 19.571 0.332 1.00 0.00 H new ATOM 0 HZ2 LYS A 46 0.281 18.447 0.769 1.00 0.00 H new ATOM 0 HZ3 LYS A 46 0.239 19.072 -0.809 1.00 0.00 H new ATOM 696 N TYR A 47 1.793 13.244 -3.329 1.00 0.00 N ATOM 697 CA TYR A 47 3.226 13.019 -3.241 1.00 0.00 C ATOM 698 C TYR A 47 3.950 14.279 -2.763 1.00 0.00 C ATOM 699 O TYR A 47 3.831 15.339 -3.377 1.00 0.00 O ATOM 700 CB TYR A 47 3.689 12.686 -4.661 1.00 0.00 C ATOM 701 CG TYR A 47 2.994 11.468 -5.272 1.00 0.00 C ATOM 702 CD1 TYR A 47 3.431 10.196 -4.961 1.00 0.00 C ATOM 703 CD2 TYR A 47 1.932 11.641 -6.136 1.00 0.00 C ATOM 704 CE1 TYR A 47 2.777 9.050 -5.536 1.00 0.00 C ATOM 705 CE2 TYR A 47 1.278 10.494 -6.711 1.00 0.00 C ATOM 706 CZ TYR A 47 1.733 9.255 -6.383 1.00 0.00 C ATOM 707 OH TYR A 47 1.116 8.172 -6.927 1.00 0.00 O ATOM 0 H TYR A 47 1.471 13.599 -4.229 1.00 0.00 H new ATOM 0 HA TYR A 47 3.447 12.221 -2.532 1.00 0.00 H new ATOM 0 HB2 TYR A 47 3.514 13.551 -5.301 1.00 0.00 H new ATOM 0 HB3 TYR A 47 4.765 12.510 -4.650 1.00 0.00 H new ATOM 0 HD1 TYR A 47 4.263 10.061 -4.286 1.00 0.00 H new ATOM 0 HD2 TYR A 47 1.591 12.636 -6.381 1.00 0.00 H new ATOM 0 HE1 TYR A 47 3.108 8.049 -5.300 1.00 0.00 H new ATOM 0 HE2 TYR A 47 0.445 10.615 -7.388 1.00 0.00 H new ATOM 0 HH TYR A 47 0.387 8.470 -7.511 1.00 0.00 H new ATOM 717 N THR A 48 4.686 14.123 -1.672 1.00 0.00 N ATOM 718 CA THR A 48 5.429 15.235 -1.105 1.00 0.00 C ATOM 719 C THR A 48 6.934 14.992 -1.236 1.00 0.00 C ATOM 720 O THR A 48 7.494 14.152 -0.533 1.00 0.00 O ATOM 721 CB THR A 48 4.967 15.425 0.341 1.00 0.00 C ATOM 722 OG1 THR A 48 3.692 16.050 0.219 1.00 0.00 O ATOM 723 CG2 THR A 48 5.814 16.450 1.097 1.00 0.00 C ATOM 0 H THR A 48 4.783 13.243 -1.166 1.00 0.00 H new ATOM 0 HA THR A 48 5.232 16.160 -1.647 1.00 0.00 H new ATOM 0 HB THR A 48 5.005 14.468 0.862 1.00 0.00 H new ATOM 0 HG1 THR A 48 3.319 16.208 1.111 1.00 0.00 H new ATOM 0 HG21 THR A 48 5.444 16.546 2.118 1.00 0.00 H new ATOM 0 HG22 THR A 48 6.853 16.120 1.118 1.00 0.00 H new ATOM 0 HG23 THR A 48 5.750 17.416 0.595 1.00 0.00 H new ATOM 731 N GLN A 49 7.546 15.743 -2.139 1.00 0.00 N ATOM 732 CA GLN A 49 8.975 15.620 -2.370 1.00 0.00 C ATOM 733 C GLN A 49 9.756 16.291 -1.238 1.00 0.00 C ATOM 734 O GLN A 49 9.427 17.402 -0.826 1.00 0.00 O ATOM 735 CB GLN A 49 9.364 16.209 -3.728 1.00 0.00 C ATOM 736 CG GLN A 49 10.843 15.959 -4.031 1.00 0.00 C ATOM 737 CD GLN A 49 11.539 17.250 -4.468 1.00 0.00 C ATOM 738 OE1 GLN A 49 11.064 17.985 -5.318 1.00 0.00 O ATOM 739 NE2 GLN A 49 12.689 17.482 -3.841 1.00 0.00 N ATOM 0 H GLN A 49 7.078 16.439 -2.720 1.00 0.00 H new ATOM 0 HA GLN A 49 9.231 14.560 -2.383 1.00 0.00 H new ATOM 0 HB2 GLN A 49 8.749 15.765 -4.511 1.00 0.00 H new ATOM 0 HB3 GLN A 49 9.164 17.280 -3.734 1.00 0.00 H new ATOM 0 HG2 GLN A 49 11.336 15.557 -3.146 1.00 0.00 H new ATOM 0 HG3 GLN A 49 10.935 15.208 -4.816 1.00 0.00 H new ATOM 0 HE21 GLN A 49 13.029 16.825 -3.139 1.00 0.00 H new ATOM 0 HE22 GLN A 49 13.231 18.317 -4.062 1.00 0.00 H new ATOM 748 N VAL A 50 10.775 15.587 -0.768 1.00 0.00 N ATOM 749 CA VAL A 50 11.606 16.100 0.309 1.00 0.00 C ATOM 750 C VAL A 50 13.069 15.755 0.027 1.00 0.00 C ATOM 751 O VAL A 50 13.403 15.295 -1.063 1.00 0.00 O ATOM 752 CB VAL A 50 11.112 15.560 1.653 1.00 0.00 C ATOM 753 CG1 VAL A 50 9.699 16.060 1.959 1.00 0.00 C ATOM 754 CG2 VAL A 50 11.172 14.032 1.685 1.00 0.00 C ATOM 0 H VAL A 50 11.044 14.666 -1.113 1.00 0.00 H new ATOM 0 HA VAL A 50 11.533 17.186 0.364 1.00 0.00 H new ATOM 0 HB VAL A 50 11.776 15.938 2.430 1.00 0.00 H new ATOM 0 HG11 VAL A 50 9.372 15.662 2.919 1.00 0.00 H new ATOM 0 HG12 VAL A 50 9.699 17.149 1.999 1.00 0.00 H new ATOM 0 HG13 VAL A 50 9.017 15.726 1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 50 10.816 13.674 2.651 1.00 0.00 H new ATOM 0 HG22 VAL A 50 10.543 13.626 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 50 12.201 13.705 1.534 1.00 0.00 H new ATOM 764 N GLY A 51 13.903 15.991 1.030 1.00 0.00 N ATOM 765 CA GLY A 51 15.323 15.711 0.903 1.00 0.00 C ATOM 766 C GLY A 51 15.920 16.436 -0.304 1.00 0.00 C ATOM 767 O GLY A 51 15.201 17.091 -1.058 1.00 0.00 O ATOM 0 H GLY A 51 13.622 16.373 1.933 1.00 0.00 H new ATOM 0 HA2 GLY A 51 15.841 16.021 1.811 1.00 0.00 H new ATOM 0 HA3 GLY A 51 15.477 14.637 0.799 1.00 0.00 H new ATOM 771 N PRO A 52 17.264 16.292 -0.455 1.00 0.00 N ATOM 772 CA PRO A 52 17.965 16.926 -1.558 1.00 0.00 C ATOM 773 C PRO A 52 17.704 16.186 -2.871 1.00 0.00 C ATOM 774 O PRO A 52 17.267 15.037 -2.864 1.00 0.00 O ATOM 775 CB PRO A 52 19.430 16.915 -1.151 1.00 0.00 C ATOM 776 CG PRO A 52 19.551 15.867 -0.057 1.00 0.00 C ATOM 777 CD PRO A 52 18.148 15.525 0.418 1.00 0.00 C ATOM 0 HA PRO A 52 17.624 17.945 -1.743 1.00 0.00 H new ATOM 0 HB2 PRO A 52 20.069 16.670 -1.999 1.00 0.00 H new ATOM 0 HB3 PRO A 52 19.742 17.895 -0.790 1.00 0.00 H new ATOM 0 HG2 PRO A 52 20.054 14.977 -0.435 1.00 0.00 H new ATOM 0 HG3 PRO A 52 20.152 16.246 0.770 1.00 0.00 H new ATOM 0 HD2 PRO A 52 17.953 14.456 0.339 1.00 0.00 H new ATOM 0 HD3 PRO A 52 18.006 15.798 1.464 1.00 0.00 H new ATOM 785 N ASP A 53 17.983 16.876 -3.968 1.00 0.00 N ATOM 786 CA ASP A 53 17.784 16.299 -5.286 1.00 0.00 C ATOM 787 C ASP A 53 18.619 15.023 -5.411 1.00 0.00 C ATOM 788 O ASP A 53 18.087 13.955 -5.708 1.00 0.00 O ATOM 789 CB ASP A 53 18.231 17.266 -6.384 1.00 0.00 C ATOM 790 CG ASP A 53 17.881 16.833 -7.809 1.00 0.00 C ATOM 791 OD1 ASP A 53 18.558 15.905 -8.303 1.00 0.00 O ATOM 792 OD2 ASP A 53 16.944 17.439 -8.372 1.00 0.00 O ATOM 0 H ASP A 53 18.345 17.829 -3.970 1.00 0.00 H new ATOM 0 HA ASP A 53 16.721 16.086 -5.404 1.00 0.00 H new ATOM 0 HB2 ASP A 53 17.780 18.240 -6.195 1.00 0.00 H new ATOM 0 HB3 ASP A 53 19.311 17.396 -6.315 1.00 0.00 H new ATOM 797 N HIS A 54 19.915 15.177 -5.178 1.00 0.00 N ATOM 798 CA HIS A 54 20.829 14.050 -5.261 1.00 0.00 C ATOM 799 C HIS A 54 20.196 12.826 -4.595 1.00 0.00 C ATOM 800 O HIS A 54 20.422 11.696 -5.024 1.00 0.00 O ATOM 801 CB HIS A 54 22.191 14.411 -4.665 1.00 0.00 C ATOM 802 CG HIS A 54 22.177 14.596 -3.167 1.00 0.00 C ATOM 803 ND1 HIS A 54 22.213 13.682 -2.156 1.00 0.00 N flip ATOM 804 CD2 HIS A 54 22.119 15.841 -2.566 1.00 0.00 C flip ATOM 805 CE1 HIS A 54 22.181 14.333 -0.999 1.00 0.00 C flip ATOM 806 NE2 HIS A 54 22.122 15.672 -1.252 1.00 0.00 N flip ATOM 0 H HIS A 54 20.353 16.065 -4.932 1.00 0.00 H new ATOM 0 HA HIS A 54 21.009 13.799 -6.306 1.00 0.00 H new ATOM 0 HB2 HIS A 54 22.905 13.627 -4.917 1.00 0.00 H new ATOM 0 HB3 HIS A 54 22.548 15.330 -5.131 1.00 0.00 H new ATOM 0 HD2 HIS A 54 22.078 16.790 -3.081 1.00 0.00 H new ATOM 0 HE1 HIS A 54 22.199 13.878 -0.020 1.00 0.00 H new ATOM 0 HE2 HIS A 54 22.086 16.413 -0.552 1.00 0.00 H new ATOM 814 N ASN A 55 19.417 13.093 -3.557 1.00 0.00 N ATOM 815 CA ASN A 55 18.750 12.028 -2.828 1.00 0.00 C ATOM 816 C ASN A 55 17.452 12.565 -2.223 1.00 0.00 C ATOM 817 O ASN A 55 17.434 13.006 -1.075 1.00 0.00 O ATOM 818 CB ASN A 55 19.626 11.511 -1.685 1.00 0.00 C ATOM 819 CG ASN A 55 19.155 10.134 -1.213 1.00 0.00 C ATOM 820 OD1 ASN A 55 18.063 9.684 -1.519 1.00 0.00 O ATOM 821 ND2 ASN A 55 20.038 9.492 -0.454 1.00 0.00 N ATOM 0 H ASN A 55 19.233 14.032 -3.204 1.00 0.00 H new ATOM 0 HA ASN A 55 18.551 11.215 -3.526 1.00 0.00 H new ATOM 0 HB2 ASN A 55 20.663 11.451 -2.015 1.00 0.00 H new ATOM 0 HB3 ASN A 55 19.597 12.214 -0.853 1.00 0.00 H new ATOM 0 HD21 ASN A 55 19.819 8.565 -0.090 1.00 0.00 H new ATOM 0 HD22 ASN A 55 20.935 9.927 -0.236 1.00 0.00 H new ATOM 828 N ARG A 56 16.397 12.510 -3.023 1.00 0.00 N ATOM 829 CA ARG A 56 15.097 12.985 -2.580 1.00 0.00 C ATOM 830 C ARG A 56 14.110 11.820 -2.483 1.00 0.00 C ATOM 831 O ARG A 56 14.429 10.698 -2.875 1.00 0.00 O ATOM 832 CB ARG A 56 14.539 14.038 -3.540 1.00 0.00 C ATOM 833 CG ARG A 56 14.219 13.422 -4.904 1.00 0.00 C ATOM 834 CD ARG A 56 13.530 14.439 -5.816 1.00 0.00 C ATOM 835 NE ARG A 56 14.473 14.908 -6.855 1.00 0.00 N ATOM 836 CZ ARG A 56 14.884 14.162 -7.890 1.00 0.00 C ATOM 837 NH1 ARG A 56 14.436 12.907 -8.030 1.00 0.00 N ATOM 838 NH2 ARG A 56 15.742 14.670 -8.784 1.00 0.00 N ATOM 0 H ARG A 56 16.416 12.144 -3.975 1.00 0.00 H new ATOM 0 HA ARG A 56 15.227 13.438 -1.597 1.00 0.00 H new ATOM 0 HB2 ARG A 56 13.637 14.480 -3.116 1.00 0.00 H new ATOM 0 HB3 ARG A 56 15.263 14.844 -3.662 1.00 0.00 H new ATOM 0 HG2 ARG A 56 15.138 13.071 -5.373 1.00 0.00 H new ATOM 0 HG3 ARG A 56 13.576 12.552 -4.772 1.00 0.00 H new ATOM 0 HD2 ARG A 56 12.656 13.986 -6.284 1.00 0.00 H new ATOM 0 HD3 ARG A 56 13.174 15.285 -5.228 1.00 0.00 H new ATOM 0 HE ARG A 56 14.833 15.859 -6.779 1.00 0.00 H new ATOM 0 HH11 ARG A 56 13.783 12.520 -7.349 1.00 0.00 H new ATOM 0 HH12 ARG A 56 14.748 12.339 -8.817 1.00 0.00 H new ATOM 0 HH21 ARG A 56 16.083 15.625 -8.678 1.00 0.00 H new ATOM 0 HH22 ARG A 56 16.054 14.102 -9.571 1.00 0.00 H new ATOM 852 N SER A 57 12.932 12.126 -1.960 1.00 0.00 N ATOM 853 CA SER A 57 11.897 11.118 -1.807 1.00 0.00 C ATOM 854 C SER A 57 10.519 11.782 -1.781 1.00 0.00 C ATOM 855 O SER A 57 10.326 12.792 -1.107 1.00 0.00 O ATOM 856 CB SER A 57 12.113 10.295 -0.535 1.00 0.00 C ATOM 857 OG SER A 57 13.495 10.054 -0.283 1.00 0.00 O ATOM 0 H SER A 57 12.671 13.058 -1.637 1.00 0.00 H new ATOM 0 HA SER A 57 11.951 10.441 -2.659 1.00 0.00 H new ATOM 0 HB2 SER A 57 11.676 10.819 0.315 1.00 0.00 H new ATOM 0 HB3 SER A 57 11.590 9.343 -0.626 1.00 0.00 H new ATOM 0 HG SER A 57 13.591 9.527 0.538 1.00 0.00 H new ATOM 863 N PHE A 58 9.597 11.188 -2.524 1.00 0.00 N ATOM 864 CA PHE A 58 8.242 11.710 -2.595 1.00 0.00 C ATOM 865 C PHE A 58 7.324 10.987 -1.608 1.00 0.00 C ATOM 866 O PHE A 58 7.051 9.798 -1.765 1.00 0.00 O ATOM 867 CB PHE A 58 7.740 11.458 -4.018 1.00 0.00 C ATOM 868 CG PHE A 58 8.475 12.268 -5.089 1.00 0.00 C ATOM 869 CD1 PHE A 58 9.734 11.917 -5.463 1.00 0.00 C ATOM 870 CD2 PHE A 58 7.868 13.339 -5.668 1.00 0.00 C ATOM 871 CE1 PHE A 58 10.416 12.668 -6.456 1.00 0.00 C ATOM 872 CE2 PHE A 58 8.549 14.090 -6.661 1.00 0.00 C ATOM 873 CZ PHE A 58 9.809 13.739 -7.035 1.00 0.00 C ATOM 0 H PHE A 58 9.761 10.350 -3.082 1.00 0.00 H new ATOM 0 HA PHE A 58 8.238 12.771 -2.344 1.00 0.00 H new ATOM 0 HB2 PHE A 58 7.842 10.397 -4.246 1.00 0.00 H new ATOM 0 HB3 PHE A 58 6.677 11.694 -4.064 1.00 0.00 H new ATOM 0 HD1 PHE A 58 10.216 11.066 -5.004 1.00 0.00 H new ATOM 0 HD2 PHE A 58 6.868 13.618 -5.372 1.00 0.00 H new ATOM 0 HE1 PHE A 58 11.417 12.389 -6.752 1.00 0.00 H new ATOM 0 HE2 PHE A 58 8.067 14.940 -7.120 1.00 0.00 H new ATOM 0 HZ PHE A 58 10.327 14.310 -7.791 1.00 0.00 H new ATOM 883 N ILE A 59 6.873 11.735 -0.612 1.00 0.00 N ATOM 884 CA ILE A 59 5.991 11.180 0.401 1.00 0.00 C ATOM 885 C ILE A 59 4.573 11.076 -0.166 1.00 0.00 C ATOM 886 O ILE A 59 3.874 12.081 -0.287 1.00 0.00 O ATOM 887 CB ILE A 59 6.079 11.995 1.692 1.00 0.00 C ATOM 888 CG1 ILE A 59 7.291 11.573 2.525 1.00 0.00 C ATOM 889 CG2 ILE A 59 4.776 11.902 2.489 1.00 0.00 C ATOM 890 CD1 ILE A 59 7.936 12.782 3.206 1.00 0.00 C ATOM 0 H ILE A 59 7.102 12.721 -0.485 1.00 0.00 H new ATOM 0 HA ILE A 59 6.303 10.170 0.667 1.00 0.00 H new ATOM 0 HB ILE A 59 6.220 13.043 1.426 1.00 0.00 H new ATOM 0 HG12 ILE A 59 6.984 10.848 3.278 1.00 0.00 H new ATOM 0 HG13 ILE A 59 8.022 11.078 1.885 1.00 0.00 H new ATOM 0 HG21 ILE A 59 4.865 12.490 3.402 1.00 0.00 H new ATOM 0 HG22 ILE A 59 3.953 12.288 1.887 1.00 0.00 H new ATOM 0 HG23 ILE A 59 4.580 10.861 2.746 1.00 0.00 H new ATOM 0 HD11 ILE A 59 8.795 12.454 3.792 1.00 0.00 H new ATOM 0 HD12 ILE A 59 8.264 13.494 2.449 1.00 0.00 H new ATOM 0 HD13 ILE A 59 7.210 13.260 3.863 1.00 0.00 H new ATOM 902 N ALA A 60 4.191 9.852 -0.497 1.00 0.00 N ATOM 903 CA ALA A 60 2.869 9.604 -1.048 1.00 0.00 C ATOM 904 C ALA A 60 1.886 9.341 0.095 1.00 0.00 C ATOM 905 O ALA A 60 1.956 8.304 0.753 1.00 0.00 O ATOM 906 CB ALA A 60 2.938 8.438 -2.036 1.00 0.00 C ATOM 0 H ALA A 60 4.773 9.021 -0.394 1.00 0.00 H new ATOM 0 HA ALA A 60 2.512 10.476 -1.596 1.00 0.00 H new ATOM 0 HB1 ALA A 60 1.947 8.252 -2.449 1.00 0.00 H new ATOM 0 HB2 ALA A 60 3.627 8.686 -2.843 1.00 0.00 H new ATOM 0 HB3 ALA A 60 3.290 7.544 -1.520 1.00 0.00 H new ATOM 912 N GLU A 61 0.994 10.300 0.297 1.00 0.00 N ATOM 913 CA GLU A 61 -0.002 10.185 1.349 1.00 0.00 C ATOM 914 C GLU A 61 -1.410 10.189 0.750 1.00 0.00 C ATOM 915 O GLU A 61 -1.690 10.940 -0.182 1.00 0.00 O ATOM 916 CB GLU A 61 0.158 11.304 2.380 1.00 0.00 C ATOM 917 CG GLU A 61 -0.149 12.669 1.760 1.00 0.00 C ATOM 918 CD GLU A 61 0.463 13.799 2.590 1.00 0.00 C ATOM 919 OE1 GLU A 61 1.638 13.640 2.986 1.00 0.00 O ATOM 920 OE2 GLU A 61 -0.257 14.796 2.810 1.00 0.00 O ATOM 0 H GLU A 61 0.940 11.160 -0.250 1.00 0.00 H new ATOM 0 HA GLU A 61 0.150 9.236 1.864 1.00 0.00 H new ATOM 0 HB2 GLU A 61 -0.510 11.125 3.223 1.00 0.00 H new ATOM 0 HB3 GLU A 61 1.175 11.299 2.772 1.00 0.00 H new ATOM 0 HG2 GLU A 61 0.242 12.707 0.743 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -1.228 12.807 1.691 1.00 0.00 H new ATOM 927 N MET A 62 -2.259 9.340 1.311 1.00 0.00 N ATOM 928 CA MET A 62 -3.631 9.236 0.844 1.00 0.00 C ATOM 929 C MET A 62 -4.583 8.931 2.002 1.00 0.00 C ATOM 930 O MET A 62 -4.302 8.066 2.830 1.00 0.00 O ATOM 931 CB MET A 62 -3.731 8.126 -0.205 1.00 0.00 C ATOM 932 CG MET A 62 -5.183 7.690 -0.404 1.00 0.00 C ATOM 933 SD MET A 62 -5.268 6.392 -1.627 1.00 0.00 S ATOM 934 CE MET A 62 -5.481 7.371 -3.104 1.00 0.00 C ATOM 0 H MET A 62 -2.023 8.718 2.084 1.00 0.00 H new ATOM 0 HA MET A 62 -3.918 10.191 0.404 1.00 0.00 H new ATOM 0 HB2 MET A 62 -3.320 8.477 -1.152 1.00 0.00 H new ATOM 0 HB3 MET A 62 -3.130 7.271 0.106 1.00 0.00 H new ATOM 0 HG2 MET A 62 -5.599 7.339 0.540 1.00 0.00 H new ATOM 0 HG3 MET A 62 -5.787 8.540 -0.721 1.00 0.00 H new ATOM 0 HE1 MET A 62 -5.747 6.720 -3.937 1.00 0.00 H new ATOM 0 HE2 MET A 62 -6.276 8.100 -2.946 1.00 0.00 H new ATOM 0 HE3 MET A 62 -4.551 7.892 -3.333 1.00 0.00 H new ATOM 944 N THR A 63 -5.690 9.659 2.024 1.00 0.00 N ATOM 945 CA THR A 63 -6.685 9.477 3.067 1.00 0.00 C ATOM 946 C THR A 63 -8.034 9.095 2.456 1.00 0.00 C ATOM 947 O THR A 63 -8.458 9.682 1.462 1.00 0.00 O ATOM 948 CB THR A 63 -6.736 10.760 3.900 1.00 0.00 C ATOM 949 OG1 THR A 63 -5.369 11.047 4.180 1.00 0.00 O ATOM 950 CG2 THR A 63 -7.361 10.538 5.279 1.00 0.00 C ATOM 0 H THR A 63 -5.920 10.376 1.336 1.00 0.00 H new ATOM 0 HA THR A 63 -6.419 8.653 3.729 1.00 0.00 H new ATOM 0 HB THR A 63 -7.304 11.519 3.362 1.00 0.00 H new ATOM 0 HG1 THR A 63 -5.079 10.528 4.959 1.00 0.00 H new ATOM 0 HG21 THR A 63 -7.373 11.479 5.829 1.00 0.00 H new ATOM 0 HG22 THR A 63 -8.381 10.173 5.162 1.00 0.00 H new ATOM 0 HG23 THR A 63 -6.774 9.803 5.830 1.00 0.00 H new ATOM 958 N ILE A 64 -8.672 8.114 3.077 1.00 0.00 N ATOM 959 CA ILE A 64 -9.965 7.646 2.607 1.00 0.00 C ATOM 960 C ILE A 64 -10.900 7.458 3.803 1.00 0.00 C ATOM 961 O ILE A 64 -10.443 7.298 4.934 1.00 0.00 O ATOM 962 CB ILE A 64 -9.801 6.389 1.751 1.00 0.00 C ATOM 963 CG1 ILE A 64 -8.732 5.463 2.335 1.00 0.00 C ATOM 964 CG2 ILE A 64 -9.510 6.752 0.293 1.00 0.00 C ATOM 965 CD1 ILE A 64 -8.902 4.034 1.816 1.00 0.00 C ATOM 0 H ILE A 64 -8.318 7.630 3.902 1.00 0.00 H new ATOM 0 HA ILE A 64 -10.425 8.389 1.956 1.00 0.00 H new ATOM 0 HB ILE A 64 -10.744 5.842 1.765 1.00 0.00 H new ATOM 0 HG12 ILE A 64 -7.741 5.834 2.072 1.00 0.00 H new ATOM 0 HG13 ILE A 64 -8.796 5.469 3.423 1.00 0.00 H new ATOM 0 HG21 ILE A 64 -9.398 5.840 -0.294 1.00 0.00 H new ATOM 0 HG22 ILE A 64 -10.335 7.341 -0.107 1.00 0.00 H new ATOM 0 HG23 ILE A 64 -8.589 7.333 0.240 1.00 0.00 H new ATOM 0 HD11 ILE A 64 -8.130 3.396 2.246 1.00 0.00 H new ATOM 0 HD12 ILE A 64 -9.884 3.658 2.102 1.00 0.00 H new ATOM 0 HD13 ILE A 64 -8.813 4.028 0.730 1.00 0.00 H new ATOM 977 N TYR A 65 -12.193 7.484 3.513 1.00 0.00 N ATOM 978 CA TYR A 65 -13.196 7.318 4.550 1.00 0.00 C ATOM 979 C TYR A 65 -14.085 6.105 4.265 1.00 0.00 C ATOM 980 O TYR A 65 -14.469 5.868 3.121 1.00 0.00 O ATOM 981 CB TYR A 65 -14.055 8.584 4.513 1.00 0.00 C ATOM 982 CG TYR A 65 -15.315 8.507 5.377 1.00 0.00 C ATOM 983 CD1 TYR A 65 -16.378 7.723 4.979 1.00 0.00 C ATOM 984 CD2 TYR A 65 -15.388 9.223 6.555 1.00 0.00 C ATOM 985 CE1 TYR A 65 -17.564 7.651 5.792 1.00 0.00 C ATOM 986 CE2 TYR A 65 -16.574 9.150 7.369 1.00 0.00 C ATOM 987 CZ TYR A 65 -17.604 8.368 6.947 1.00 0.00 C ATOM 988 OH TYR A 65 -18.724 8.300 7.715 1.00 0.00 O ATOM 0 H TYR A 65 -12.569 7.618 2.574 1.00 0.00 H new ATOM 0 HA TYR A 65 -12.723 7.162 5.519 1.00 0.00 H new ATOM 0 HB2 TYR A 65 -13.452 9.430 4.843 1.00 0.00 H new ATOM 0 HB3 TYR A 65 -14.346 8.783 3.482 1.00 0.00 H new ATOM 0 HD1 TYR A 65 -16.321 7.163 4.057 1.00 0.00 H new ATOM 0 HD2 TYR A 65 -14.556 9.838 6.866 1.00 0.00 H new ATOM 0 HE1 TYR A 65 -18.403 7.041 5.491 1.00 0.00 H new ATOM 0 HE2 TYR A 65 -16.644 9.704 8.294 1.00 0.00 H new ATOM 0 HH TYR A 65 -18.610 8.862 8.510 1.00 0.00 H new ATOM 998 N ILE A 66 -14.385 5.370 5.325 1.00 0.00 N ATOM 999 CA ILE A 66 -15.221 4.187 5.204 1.00 0.00 C ATOM 1000 C ILE A 66 -16.547 4.428 5.929 1.00 0.00 C ATOM 1001 O ILE A 66 -16.559 4.764 7.112 1.00 0.00 O ATOM 1002 CB ILE A 66 -14.470 2.947 5.691 1.00 0.00 C ATOM 1003 CG1 ILE A 66 -12.995 3.005 5.287 1.00 0.00 C ATOM 1004 CG2 ILE A 66 -15.149 1.667 5.202 1.00 0.00 C ATOM 1005 CD1 ILE A 66 -12.840 2.921 3.767 1.00 0.00 C ATOM 0 H ILE A 66 -14.064 5.570 6.272 1.00 0.00 H new ATOM 0 HA ILE A 66 -15.460 3.995 4.158 1.00 0.00 H new ATOM 0 HB ILE A 66 -14.505 2.933 6.780 1.00 0.00 H new ATOM 0 HG12 ILE A 66 -12.551 3.931 5.651 1.00 0.00 H new ATOM 0 HG13 ILE A 66 -12.453 2.185 5.757 1.00 0.00 H new ATOM 0 HG21 ILE A 66 -14.595 0.801 5.562 1.00 0.00 H new ATOM 0 HG22 ILE A 66 -16.170 1.629 5.582 1.00 0.00 H new ATOM 0 HG23 ILE A 66 -15.167 1.658 4.112 1.00 0.00 H new ATOM 0 HD11 ILE A 66 -11.783 2.964 3.506 1.00 0.00 H new ATOM 0 HD12 ILE A 66 -13.264 1.983 3.409 1.00 0.00 H new ATOM 0 HD13 ILE A 66 -13.363 3.756 3.301 1.00 0.00 H new ATOM 1017 N LYS A 67 -17.631 4.247 5.189 1.00 0.00 N ATOM 1018 CA LYS A 67 -18.958 4.441 5.747 1.00 0.00 C ATOM 1019 C LYS A 67 -19.404 3.156 6.448 1.00 0.00 C ATOM 1020 O LYS A 67 -20.176 3.202 7.405 1.00 0.00 O ATOM 1021 CB LYS A 67 -19.929 4.921 4.666 1.00 0.00 C ATOM 1022 CG LYS A 67 -19.818 4.058 3.408 1.00 0.00 C ATOM 1023 CD LYS A 67 -19.166 4.838 2.264 1.00 0.00 C ATOM 1024 CE LYS A 67 -19.908 4.601 0.947 1.00 0.00 C ATOM 1025 NZ LYS A 67 -19.503 5.604 -0.063 1.00 0.00 N ATOM 0 H LYS A 67 -17.617 3.968 4.208 1.00 0.00 H new ATOM 0 HA LYS A 67 -18.943 5.228 6.501 1.00 0.00 H new ATOM 0 HB2 LYS A 67 -20.950 4.885 5.047 1.00 0.00 H new ATOM 0 HB3 LYS A 67 -19.717 5.961 4.418 1.00 0.00 H new ATOM 0 HG2 LYS A 67 -19.231 3.166 3.625 1.00 0.00 H new ATOM 0 HG3 LYS A 67 -20.809 3.721 3.105 1.00 0.00 H new ATOM 0 HD2 LYS A 67 -19.165 5.902 2.499 1.00 0.00 H new ATOM 0 HD3 LYS A 67 -18.125 4.534 2.159 1.00 0.00 H new ATOM 0 HE2 LYS A 67 -19.695 3.598 0.578 1.00 0.00 H new ATOM 0 HE3 LYS A 67 -20.984 4.657 1.113 1.00 0.00 H new ATOM 0 HZ1 LYS A 67 -20.016 5.429 -0.951 1.00 0.00 H new ATOM 0 HZ2 LYS A 67 -19.729 6.558 0.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 67 -18.480 5.531 -0.234 1.00 0.00 H new ATOM 1039 N GLN A 68 -18.900 2.039 5.944 1.00 0.00 N ATOM 1040 CA GLN A 68 -19.237 0.744 6.509 1.00 0.00 C ATOM 1041 C GLN A 68 -18.631 0.600 7.906 1.00 0.00 C ATOM 1042 O GLN A 68 -18.919 -0.362 8.617 1.00 0.00 O ATOM 1043 CB GLN A 68 -18.776 -0.391 5.592 1.00 0.00 C ATOM 1044 CG GLN A 68 -17.256 -0.551 5.640 1.00 0.00 C ATOM 1045 CD GLN A 68 -16.649 -0.444 4.239 1.00 0.00 C ATOM 1046 OE1 GLN A 68 -16.793 0.550 3.547 1.00 0.00 O ATOM 1047 NE2 GLN A 68 -15.965 -1.521 3.862 1.00 0.00 N ATOM 0 H GLN A 68 -18.261 2.004 5.150 1.00 0.00 H new ATOM 0 HA GLN A 68 -20.322 0.679 6.596 1.00 0.00 H new ATOM 0 HB2 GLN A 68 -19.253 -1.323 5.893 1.00 0.00 H new ATOM 0 HB3 GLN A 68 -19.092 -0.188 4.569 1.00 0.00 H new ATOM 0 HG2 GLN A 68 -16.826 0.215 6.286 1.00 0.00 H new ATOM 0 HG3 GLN A 68 -17.002 -1.516 6.078 1.00 0.00 H new ATOM 0 HE21 GLN A 68 -15.884 -2.320 4.491 1.00 0.00 H new ATOM 0 HE22 GLN A 68 -15.522 -1.548 2.944 1.00 0.00 H new ATOM 1056 N LEU A 69 -17.802 1.572 8.259 1.00 0.00 N ATOM 1057 CA LEU A 69 -17.152 1.566 9.559 1.00 0.00 C ATOM 1058 C LEU A 69 -17.617 2.783 10.362 1.00 0.00 C ATOM 1059 O LEU A 69 -17.793 2.699 11.576 1.00 0.00 O ATOM 1060 CB LEU A 69 -15.633 1.479 9.398 1.00 0.00 C ATOM 1061 CG LEU A 69 -15.104 0.230 8.690 1.00 0.00 C ATOM 1062 CD1 LEU A 69 -13.580 0.147 8.790 1.00 0.00 C ATOM 1063 CD2 LEU A 69 -15.783 -1.033 9.225 1.00 0.00 C ATOM 0 H LEU A 69 -17.566 2.369 7.668 1.00 0.00 H new ATOM 0 HA LEU A 69 -17.440 0.680 10.125 1.00 0.00 H new ATOM 0 HB2 LEU A 69 -15.295 2.356 8.846 1.00 0.00 H new ATOM 0 HB3 LEU A 69 -15.179 1.531 10.388 1.00 0.00 H new ATOM 0 HG LEU A 69 -15.354 0.306 7.632 1.00 0.00 H new ATOM 0 HD11 LEU A 69 -13.230 -0.750 8.279 1.00 0.00 H new ATOM 0 HD12 LEU A 69 -13.136 1.027 8.324 1.00 0.00 H new ATOM 0 HD13 LEU A 69 -13.286 0.105 9.839 1.00 0.00 H new ATOM 0 HD21 LEU A 69 -15.389 -1.906 8.705 1.00 0.00 H new ATOM 0 HD22 LEU A 69 -15.586 -1.127 10.293 1.00 0.00 H new ATOM 0 HD23 LEU A 69 -16.858 -0.966 9.059 1.00 0.00 H new ATOM 1075 N GLY A 70 -17.802 3.885 9.651 1.00 0.00 N ATOM 1076 CA GLY A 70 -18.243 5.118 10.282 1.00 0.00 C ATOM 1077 C GLY A 70 -17.057 6.038 10.575 1.00 0.00 C ATOM 1078 O GLY A 70 -17.203 7.045 11.266 1.00 0.00 O ATOM 0 H GLY A 70 -17.655 3.950 8.644 1.00 0.00 H new ATOM 0 HA2 GLY A 70 -18.953 5.630 9.632 1.00 0.00 H new ATOM 0 HA3 GLY A 70 -18.768 4.889 11.209 1.00 0.00 H new ATOM 1082 N ARG A 71 -15.908 5.661 10.033 1.00 0.00 N ATOM 1083 CA ARG A 71 -14.697 6.440 10.228 1.00 0.00 C ATOM 1084 C ARG A 71 -13.873 6.470 8.939 1.00 0.00 C ATOM 1085 O ARG A 71 -14.336 6.025 7.890 1.00 0.00 O ATOM 1086 CB ARG A 71 -13.844 5.860 11.357 1.00 0.00 C ATOM 1087 CG ARG A 71 -13.038 4.653 10.872 1.00 0.00 C ATOM 1088 CD ARG A 71 -12.263 4.012 12.024 1.00 0.00 C ATOM 1089 NE ARG A 71 -10.823 4.333 11.906 1.00 0.00 N ATOM 1090 CZ ARG A 71 -9.906 4.026 12.834 1.00 0.00 C ATOM 1091 NH1 ARG A 71 -10.274 3.388 13.954 1.00 0.00 N ATOM 1092 NH2 ARG A 71 -8.622 4.357 12.642 1.00 0.00 N ATOM 0 H ARG A 71 -15.790 4.826 9.459 1.00 0.00 H new ATOM 0 HA ARG A 71 -14.994 7.453 10.498 1.00 0.00 H new ATOM 0 HB2 ARG A 71 -13.167 6.625 11.736 1.00 0.00 H new ATOM 0 HB3 ARG A 71 -14.486 5.563 12.187 1.00 0.00 H new ATOM 0 HG2 ARG A 71 -13.709 3.918 10.427 1.00 0.00 H new ATOM 0 HG3 ARG A 71 -12.344 4.965 10.091 1.00 0.00 H new ATOM 0 HD2 ARG A 71 -12.648 4.374 12.978 1.00 0.00 H new ATOM 0 HD3 ARG A 71 -12.405 2.931 12.012 1.00 0.00 H new ATOM 0 HE ARG A 71 -10.509 4.818 11.066 1.00 0.00 H new ATOM 0 HH11 ARG A 71 -11.252 3.136 14.100 1.00 0.00 H new ATOM 0 HH12 ARG A 71 -9.576 3.154 14.660 1.00 0.00 H new ATOM 0 HH21 ARG A 71 -8.342 4.843 11.790 1.00 0.00 H new ATOM 0 HH22 ARG A 71 -7.924 4.123 13.348 1.00 0.00 H new ATOM 1106 N ARG A 72 -12.664 7.000 9.059 1.00 0.00 N ATOM 1107 CA ARG A 72 -11.771 7.094 7.917 1.00 0.00 C ATOM 1108 C ARG A 72 -10.343 6.730 8.329 1.00 0.00 C ATOM 1109 O ARG A 72 -9.995 6.803 9.506 1.00 0.00 O ATOM 1110 CB ARG A 72 -11.780 8.505 7.326 1.00 0.00 C ATOM 1111 CG ARG A 72 -11.656 9.562 8.426 1.00 0.00 C ATOM 1112 CD ARG A 72 -10.428 10.447 8.200 1.00 0.00 C ATOM 1113 NE ARG A 72 -10.798 11.872 8.346 1.00 0.00 N ATOM 1114 CZ ARG A 72 -9.914 12.878 8.376 1.00 0.00 C ATOM 1115 NH1 ARG A 72 -8.603 12.622 8.270 1.00 0.00 N ATOM 1116 NH2 ARG A 72 -10.341 14.141 8.512 1.00 0.00 N ATOM 0 H ARG A 72 -12.282 7.369 9.930 1.00 0.00 H new ATOM 0 HA ARG A 72 -12.124 6.393 7.161 1.00 0.00 H new ATOM 0 HB2 ARG A 72 -10.957 8.612 6.619 1.00 0.00 H new ATOM 0 HB3 ARG A 72 -12.702 8.663 6.767 1.00 0.00 H new ATOM 0 HG2 ARG A 72 -12.555 10.179 8.446 1.00 0.00 H new ATOM 0 HG3 ARG A 72 -11.583 9.074 9.398 1.00 0.00 H new ATOM 0 HD2 ARG A 72 -9.648 10.190 8.916 1.00 0.00 H new ATOM 0 HD3 ARG A 72 -10.019 10.269 7.205 1.00 0.00 H new ATOM 0 HE ARG A 72 -11.788 12.103 8.429 1.00 0.00 H new ATOM 0 HH11 ARG A 72 -8.278 11.661 8.166 1.00 0.00 H new ATOM 0 HH12 ARG A 72 -7.930 13.388 8.293 1.00 0.00 H new ATOM 0 HH21 ARG A 72 -11.339 14.336 8.593 1.00 0.00 H new ATOM 0 HH22 ARG A 72 -9.668 14.907 8.535 1.00 0.00 H new ATOM 1130 N ILE A 73 -9.555 6.345 7.336 1.00 0.00 N ATOM 1131 CA ILE A 73 -8.173 5.970 7.580 1.00 0.00 C ATOM 1132 C ILE A 73 -7.253 6.835 6.715 1.00 0.00 C ATOM 1133 O ILE A 73 -7.594 7.169 5.582 1.00 0.00 O ATOM 1134 CB ILE A 73 -7.981 4.467 7.368 1.00 0.00 C ATOM 1135 CG1 ILE A 73 -8.640 4.008 6.066 1.00 0.00 C ATOM 1136 CG2 ILE A 73 -8.484 3.674 8.576 1.00 0.00 C ATOM 1137 CD1 ILE A 73 -7.972 2.739 5.531 1.00 0.00 C ATOM 0 H ILE A 73 -9.847 6.285 6.361 1.00 0.00 H new ATOM 0 HA ILE A 73 -7.905 6.160 8.619 1.00 0.00 H new ATOM 0 HB ILE A 73 -6.913 4.269 7.275 1.00 0.00 H new ATOM 0 HG12 ILE A 73 -9.700 3.821 6.237 1.00 0.00 H new ATOM 0 HG13 ILE A 73 -8.572 4.801 5.321 1.00 0.00 H new ATOM 0 HG21 ILE A 73 -8.336 2.609 8.399 1.00 0.00 H new ATOM 0 HG22 ILE A 73 -7.930 3.975 9.465 1.00 0.00 H new ATOM 0 HG23 ILE A 73 -9.545 3.873 8.725 1.00 0.00 H new ATOM 0 HD11 ILE A 73 -8.459 2.434 4.605 1.00 0.00 H new ATOM 0 HD12 ILE A 73 -6.918 2.937 5.338 1.00 0.00 H new ATOM 0 HD13 ILE A 73 -8.063 1.941 6.268 1.00 0.00 H new ATOM 1149 N PHE A 74 -6.105 7.173 7.284 1.00 0.00 N ATOM 1150 CA PHE A 74 -5.134 7.993 6.579 1.00 0.00 C ATOM 1151 C PHE A 74 -3.801 7.257 6.429 1.00 0.00 C ATOM 1152 O PHE A 74 -3.459 6.411 7.254 1.00 0.00 O ATOM 1153 CB PHE A 74 -4.916 9.251 7.422 1.00 0.00 C ATOM 1154 CG PHE A 74 -3.562 9.926 7.194 1.00 0.00 C ATOM 1155 CD1 PHE A 74 -2.428 9.356 7.683 1.00 0.00 C ATOM 1156 CD2 PHE A 74 -3.492 11.094 6.502 1.00 0.00 C ATOM 1157 CE1 PHE A 74 -1.171 9.982 7.472 1.00 0.00 C ATOM 1158 CE2 PHE A 74 -2.235 11.720 6.291 1.00 0.00 C ATOM 1159 CZ PHE A 74 -1.101 11.151 6.780 1.00 0.00 C ATOM 0 H PHE A 74 -5.826 6.894 8.225 1.00 0.00 H new ATOM 0 HA PHE A 74 -5.502 8.230 5.581 1.00 0.00 H new ATOM 0 HB2 PHE A 74 -5.709 9.966 7.201 1.00 0.00 H new ATOM 0 HB3 PHE A 74 -5.007 8.990 8.476 1.00 0.00 H new ATOM 0 HD1 PHE A 74 -2.484 8.427 8.232 1.00 0.00 H new ATOM 0 HD2 PHE A 74 -4.392 11.546 6.113 1.00 0.00 H new ATOM 0 HE1 PHE A 74 -0.271 9.530 7.861 1.00 0.00 H new ATOM 0 HE2 PHE A 74 -2.180 12.648 5.742 1.00 0.00 H new ATOM 0 HZ PHE A 74 -0.145 11.627 6.619 1.00 0.00 H new ATOM 1169 N ALA A 75 -3.086 7.605 5.370 1.00 0.00 N ATOM 1170 CA ALA A 75 -1.798 6.988 5.100 1.00 0.00 C ATOM 1171 C ALA A 75 -0.811 8.060 4.635 1.00 0.00 C ATOM 1172 O ALA A 75 -1.216 9.096 4.108 1.00 0.00 O ATOM 1173 CB ALA A 75 -1.973 5.870 4.071 1.00 0.00 C ATOM 0 H ALA A 75 -3.374 8.307 4.688 1.00 0.00 H new ATOM 0 HA ALA A 75 -1.391 6.537 6.005 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -1.007 5.407 3.869 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -2.660 5.120 4.462 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -2.377 6.285 3.148 1.00 0.00 H new ATOM 1179 N ARG A 76 0.466 7.776 4.846 1.00 0.00 N ATOM 1180 CA ARG A 76 1.514 8.703 4.454 1.00 0.00 C ATOM 1181 C ARG A 76 2.888 8.051 4.621 1.00 0.00 C ATOM 1182 O ARG A 76 3.432 8.014 5.723 1.00 0.00 O ATOM 1183 CB ARG A 76 1.459 9.982 5.292 1.00 0.00 C ATOM 1184 CG ARG A 76 2.588 10.939 4.906 1.00 0.00 C ATOM 1185 CD ARG A 76 3.508 11.211 6.099 1.00 0.00 C ATOM 1186 NE ARG A 76 3.371 12.619 6.532 1.00 0.00 N ATOM 1187 CZ ARG A 76 3.731 13.071 7.741 1.00 0.00 C ATOM 1188 NH1 ARG A 76 4.251 12.229 8.644 1.00 0.00 N ATOM 1189 NH2 ARG A 76 3.571 14.366 8.047 1.00 0.00 N ATOM 0 H ARG A 76 0.799 6.917 5.284 1.00 0.00 H new ATOM 0 HA ARG A 76 1.355 8.961 3.407 1.00 0.00 H new ATOM 0 HB2 ARG A 76 0.496 10.473 5.150 1.00 0.00 H new ATOM 0 HB3 ARG A 76 1.536 9.731 6.350 1.00 0.00 H new ATOM 0 HG2 ARG A 76 3.166 10.513 4.086 1.00 0.00 H new ATOM 0 HG3 ARG A 76 2.167 11.877 4.545 1.00 0.00 H new ATOM 0 HD2 ARG A 76 3.257 10.542 6.922 1.00 0.00 H new ATOM 0 HD3 ARG A 76 4.543 11.005 5.825 1.00 0.00 H new ATOM 0 HE ARG A 76 2.978 13.287 5.869 1.00 0.00 H new ATOM 0 HH11 ARG A 76 4.373 11.243 8.411 1.00 0.00 H new ATOM 0 HH12 ARG A 76 4.525 12.574 9.564 1.00 0.00 H new ATOM 0 HH21 ARG A 76 3.175 15.007 7.360 1.00 0.00 H new ATOM 0 HH22 ARG A 76 3.845 14.710 8.967 1.00 0.00 H new ATOM 1203 N GLU A 77 3.410 7.554 3.509 1.00 0.00 N ATOM 1204 CA GLU A 77 4.710 6.905 3.518 1.00 0.00 C ATOM 1205 C GLU A 77 5.716 7.723 2.705 1.00 0.00 C ATOM 1206 O GLU A 77 5.357 8.732 2.101 1.00 0.00 O ATOM 1207 CB GLU A 77 4.613 5.473 2.990 1.00 0.00 C ATOM 1208 CG GLU A 77 3.712 4.618 3.884 1.00 0.00 C ATOM 1209 CD GLU A 77 4.528 3.915 4.971 1.00 0.00 C ATOM 1210 OE1 GLU A 77 4.960 4.625 5.904 1.00 0.00 O ATOM 1211 OE2 GLU A 77 4.700 2.684 4.844 1.00 0.00 O ATOM 0 H GLU A 77 2.956 7.588 2.596 1.00 0.00 H new ATOM 0 HA GLU A 77 5.061 6.853 4.549 1.00 0.00 H new ATOM 0 HB2 GLU A 77 4.219 5.482 1.974 1.00 0.00 H new ATOM 0 HB3 GLU A 77 5.608 5.031 2.942 1.00 0.00 H new ATOM 0 HG2 GLU A 77 2.950 5.246 4.345 1.00 0.00 H new ATOM 0 HG3 GLU A 77 3.191 3.877 3.279 1.00 0.00 H new ATOM 1218 N HIS A 78 6.956 7.256 2.717 1.00 0.00 N ATOM 1219 CA HIS A 78 8.017 7.931 1.988 1.00 0.00 C ATOM 1220 C HIS A 78 8.735 6.929 1.082 1.00 0.00 C ATOM 1221 O HIS A 78 9.931 6.688 1.242 1.00 0.00 O ATOM 1222 CB HIS A 78 8.966 8.647 2.950 1.00 0.00 C ATOM 1223 CG HIS A 78 9.182 7.920 4.255 1.00 0.00 C ATOM 1224 ND1 HIS A 78 9.435 6.561 4.324 1.00 0.00 N ATOM 1225 CD2 HIS A 78 9.181 8.376 5.541 1.00 0.00 C ATOM 1226 CE1 HIS A 78 9.577 6.225 5.597 1.00 0.00 C ATOM 1227 NE2 HIS A 78 9.418 7.351 6.350 1.00 0.00 N ATOM 0 H HIS A 78 7.250 6.419 3.220 1.00 0.00 H new ATOM 0 HA HIS A 78 7.590 8.704 1.349 1.00 0.00 H new ATOM 0 HB2 HIS A 78 9.929 8.784 2.459 1.00 0.00 H new ATOM 0 HB3 HIS A 78 8.571 9.641 3.161 1.00 0.00 H new ATOM 0 HD2 HIS A 78 9.015 9.398 5.848 1.00 0.00 H new ATOM 0 HE1 HIS A 78 9.783 5.234 5.973 1.00 0.00 H new ATOM 0 HE2 HIS A 78 9.472 7.398 7.367 1.00 0.00 H new ATOM 1235 N GLY A 79 7.976 6.372 0.150 1.00 0.00 N ATOM 1236 CA GLY A 79 8.525 5.401 -0.781 1.00 0.00 C ATOM 1237 C GLY A 79 9.733 5.976 -1.523 1.00 0.00 C ATOM 1238 O GLY A 79 10.249 7.030 -1.154 1.00 0.00 O ATOM 0 H GLY A 79 6.985 6.575 0.020 1.00 0.00 H new ATOM 0 HA2 GLY A 79 8.820 4.501 -0.242 1.00 0.00 H new ATOM 0 HA3 GLY A 79 7.759 5.106 -1.499 1.00 0.00 H new ATOM 1242 N SER A 80 10.149 5.258 -2.557 1.00 0.00 N ATOM 1243 CA SER A 80 11.286 5.684 -3.354 1.00 0.00 C ATOM 1244 C SER A 80 10.814 6.568 -4.510 1.00 0.00 C ATOM 1245 O SER A 80 11.340 7.660 -4.716 1.00 0.00 O ATOM 1246 CB SER A 80 12.065 4.481 -3.890 1.00 0.00 C ATOM 1247 OG SER A 80 12.631 3.701 -2.840 1.00 0.00 O ATOM 0 H SER A 80 9.719 4.384 -2.860 1.00 0.00 H new ATOM 0 HA SER A 80 11.955 6.260 -2.714 1.00 0.00 H new ATOM 0 HB2 SER A 80 11.401 3.857 -4.488 1.00 0.00 H new ATOM 0 HB3 SER A 80 12.858 4.828 -4.552 1.00 0.00 H new ATOM 0 HG SER A 80 13.119 2.942 -3.223 1.00 0.00 H new ATOM 1253 N ASN A 81 9.826 6.062 -5.234 1.00 0.00 N ATOM 1254 CA ASN A 81 9.277 6.792 -6.364 1.00 0.00 C ATOM 1255 C ASN A 81 7.752 6.841 -6.241 1.00 0.00 C ATOM 1256 O ASN A 81 7.174 6.188 -5.374 1.00 0.00 O ATOM 1257 CB ASN A 81 9.623 6.103 -7.685 1.00 0.00 C ATOM 1258 CG ASN A 81 11.134 5.907 -7.822 1.00 0.00 C ATOM 1259 OD1 ASN A 81 11.620 4.917 -7.079 1.00 0.00 O flip ATOM 1260 ND2 ASN A 81 11.813 6.608 -8.554 1.00 0.00 N flip ATOM 0 H ASN A 81 9.392 5.156 -5.060 1.00 0.00 H new ATOM 0 HA ASN A 81 9.704 7.795 -6.358 1.00 0.00 H new ATOM 0 HB2 ASN A 81 9.121 5.137 -7.738 1.00 0.00 H new ATOM 0 HB3 ASN A 81 9.253 6.700 -8.518 1.00 0.00 H new ATOM 0 HD21 ASN A 81 11.375 7.352 -9.098 1.00 0.00 H new ATOM 0 HD22 ASN A 81 12.818 6.450 -8.622 1.00 0.00 H new ATOM 1267 N LYS A 82 7.145 7.623 -7.122 1.00 0.00 N ATOM 1268 CA LYS A 82 5.699 7.765 -7.123 1.00 0.00 C ATOM 1269 C LYS A 82 5.054 6.382 -7.017 1.00 0.00 C ATOM 1270 O LYS A 82 4.115 6.188 -6.246 1.00 0.00 O ATOM 1271 CB LYS A 82 5.241 8.566 -8.344 1.00 0.00 C ATOM 1272 CG LYS A 82 5.225 10.066 -8.042 1.00 0.00 C ATOM 1273 CD LYS A 82 4.050 10.753 -8.740 1.00 0.00 C ATOM 1274 CE LYS A 82 4.454 12.134 -9.261 1.00 0.00 C ATOM 1275 NZ LYS A 82 4.245 12.216 -10.724 1.00 0.00 N ATOM 0 H LYS A 82 7.628 8.164 -7.839 1.00 0.00 H new ATOM 0 HA LYS A 82 5.372 8.336 -6.254 1.00 0.00 H new ATOM 0 HB2 LYS A 82 5.907 8.368 -9.184 1.00 0.00 H new ATOM 0 HB3 LYS A 82 4.245 8.241 -8.643 1.00 0.00 H new ATOM 0 HG2 LYS A 82 5.156 10.223 -6.966 1.00 0.00 H new ATOM 0 HG3 LYS A 82 6.162 10.517 -8.370 1.00 0.00 H new ATOM 0 HD2 LYS A 82 3.702 10.135 -9.568 1.00 0.00 H new ATOM 0 HD3 LYS A 82 3.217 10.852 -8.045 1.00 0.00 H new ATOM 0 HE2 LYS A 82 3.868 12.904 -8.760 1.00 0.00 H new ATOM 0 HE3 LYS A 82 5.501 12.326 -9.026 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 4.524 13.159 -11.062 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 4.823 11.493 -11.198 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 3.241 12.053 -10.941 1.00 0.00 H new ATOM 1289 N LYS A 83 5.583 5.456 -7.803 1.00 0.00 N ATOM 1290 CA LYS A 83 5.070 4.096 -7.808 1.00 0.00 C ATOM 1291 C LYS A 83 5.110 3.536 -6.384 1.00 0.00 C ATOM 1292 O LYS A 83 4.070 3.380 -5.746 1.00 0.00 O ATOM 1293 CB LYS A 83 5.827 3.242 -8.826 1.00 0.00 C ATOM 1294 CG LYS A 83 5.062 1.954 -9.138 1.00 0.00 C ATOM 1295 CD LYS A 83 5.830 0.726 -8.646 1.00 0.00 C ATOM 1296 CE LYS A 83 6.255 -0.161 -9.817 1.00 0.00 C ATOM 1297 NZ LYS A 83 7.095 -1.283 -9.340 1.00 0.00 N ATOM 0 H LYS A 83 6.362 5.620 -8.441 1.00 0.00 H new ATOM 0 HA LYS A 83 4.028 4.082 -8.128 1.00 0.00 H new ATOM 0 HB2 LYS A 83 5.977 3.811 -9.743 1.00 0.00 H new ATOM 0 HB3 LYS A 83 6.815 2.997 -8.437 1.00 0.00 H new ATOM 0 HG2 LYS A 83 4.080 1.987 -8.665 1.00 0.00 H new ATOM 0 HG3 LYS A 83 4.896 1.877 -10.213 1.00 0.00 H new ATOM 0 HD2 LYS A 83 6.711 1.043 -8.087 1.00 0.00 H new ATOM 0 HD3 LYS A 83 5.206 0.154 -7.959 1.00 0.00 H new ATOM 0 HE2 LYS A 83 5.373 -0.550 -10.325 1.00 0.00 H new ATOM 0 HE3 LYS A 83 6.808 0.430 -10.547 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 7.375 -1.875 -10.148 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 7.946 -0.907 -8.876 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 6.555 -1.857 -8.661 1.00 0.00 H new ATOM 1311 N LEU A 84 6.321 3.250 -5.929 1.00 0.00 N ATOM 1312 CA LEU A 84 6.509 2.710 -4.593 1.00 0.00 C ATOM 1313 C LEU A 84 5.680 3.524 -3.598 1.00 0.00 C ATOM 1314 O LEU A 84 4.674 3.039 -3.081 1.00 0.00 O ATOM 1315 CB LEU A 84 7.998 2.648 -4.246 1.00 0.00 C ATOM 1316 CG LEU A 84 8.855 1.739 -5.130 1.00 0.00 C ATOM 1317 CD1 LEU A 84 8.113 0.445 -5.468 1.00 0.00 C ATOM 1318 CD2 LEU A 84 9.322 2.478 -6.386 1.00 0.00 C ATOM 0 H LEU A 84 7.181 3.382 -6.461 1.00 0.00 H new ATOM 0 HA LEU A 84 6.150 1.682 -4.543 1.00 0.00 H new ATOM 0 HB2 LEU A 84 8.405 3.658 -4.295 1.00 0.00 H new ATOM 0 HB3 LEU A 84 8.097 2.315 -3.213 1.00 0.00 H new ATOM 0 HG LEU A 84 9.748 1.461 -4.570 1.00 0.00 H new ATOM 0 HD11 LEU A 84 8.744 -0.183 -6.097 1.00 0.00 H new ATOM 0 HD12 LEU A 84 7.873 -0.088 -4.548 1.00 0.00 H new ATOM 0 HD13 LEU A 84 7.192 0.682 -6.000 1.00 0.00 H new ATOM 0 HD21 LEU A 84 9.929 1.810 -6.997 1.00 0.00 H new ATOM 0 HD22 LEU A 84 8.455 2.806 -6.959 1.00 0.00 H new ATOM 0 HD23 LEU A 84 9.916 3.346 -6.098 1.00 0.00 H new ATOM 1330 N ALA A 85 6.132 4.746 -3.359 1.00 0.00 N ATOM 1331 CA ALA A 85 5.444 5.631 -2.434 1.00 0.00 C ATOM 1332 C ALA A 85 3.937 5.377 -2.517 1.00 0.00 C ATOM 1333 O ALA A 85 3.292 5.113 -1.504 1.00 0.00 O ATOM 1334 CB ALA A 85 5.808 7.083 -2.751 1.00 0.00 C ATOM 0 H ALA A 85 6.966 5.144 -3.790 1.00 0.00 H new ATOM 0 HA ALA A 85 5.756 5.432 -1.409 1.00 0.00 H new ATOM 0 HB1 ALA A 85 5.292 7.747 -2.057 1.00 0.00 H new ATOM 0 HB2 ALA A 85 6.885 7.218 -2.650 1.00 0.00 H new ATOM 0 HB3 ALA A 85 5.507 7.319 -3.772 1.00 0.00 H new ATOM 1340 N ALA A 86 3.421 5.464 -3.734 1.00 0.00 N ATOM 1341 CA ALA A 86 2.003 5.246 -3.963 1.00 0.00 C ATOM 1342 C ALA A 86 1.605 3.878 -3.406 1.00 0.00 C ATOM 1343 O ALA A 86 0.679 3.776 -2.603 1.00 0.00 O ATOM 1344 CB ALA A 86 1.700 5.379 -5.456 1.00 0.00 C ATOM 0 H ALA A 86 3.960 5.683 -4.572 1.00 0.00 H new ATOM 0 HA ALA A 86 1.410 5.998 -3.443 1.00 0.00 H new ATOM 0 HB1 ALA A 86 0.636 5.215 -5.627 1.00 0.00 H new ATOM 0 HB2 ALA A 86 1.973 6.378 -5.795 1.00 0.00 H new ATOM 0 HB3 ALA A 86 2.275 4.638 -6.011 1.00 0.00 H new ATOM 1350 N GLN A 87 2.324 2.860 -3.855 1.00 0.00 N ATOM 1351 CA GLN A 87 2.058 1.502 -3.412 1.00 0.00 C ATOM 1352 C GLN A 87 1.904 1.461 -1.890 1.00 0.00 C ATOM 1353 O GLN A 87 0.810 1.230 -1.380 1.00 0.00 O ATOM 1354 CB GLN A 87 3.159 0.547 -3.878 1.00 0.00 C ATOM 1355 CG GLN A 87 3.257 0.527 -5.405 1.00 0.00 C ATOM 1356 CD GLN A 87 3.089 -0.894 -5.946 1.00 0.00 C ATOM 1357 OE1 GLN A 87 2.029 -1.291 -6.403 1.00 0.00 O ATOM 1358 NE2 GLN A 87 4.190 -1.636 -5.870 1.00 0.00 N ATOM 0 H GLN A 87 3.091 2.948 -4.521 1.00 0.00 H new ATOM 0 HA GLN A 87 1.122 1.171 -3.862 1.00 0.00 H new ATOM 0 HB2 GLN A 87 4.115 0.853 -3.453 1.00 0.00 H new ATOM 0 HB3 GLN A 87 2.953 -0.458 -3.510 1.00 0.00 H new ATOM 0 HG2 GLN A 87 2.491 1.175 -5.831 1.00 0.00 H new ATOM 0 HG3 GLN A 87 4.222 0.927 -5.716 1.00 0.00 H new ATOM 0 HE21 GLN A 87 5.044 -1.242 -5.476 1.00 0.00 H new ATOM 0 HE22 GLN A 87 4.180 -2.599 -6.206 1.00 0.00 H new ATOM 1367 N SER A 88 3.017 1.688 -1.209 1.00 0.00 N ATOM 1368 CA SER A 88 3.020 1.680 0.244 1.00 0.00 C ATOM 1369 C SER A 88 1.745 2.339 0.774 1.00 0.00 C ATOM 1370 O SER A 88 1.024 1.748 1.576 1.00 0.00 O ATOM 1371 CB SER A 88 4.256 2.394 0.796 1.00 0.00 C ATOM 1372 OG SER A 88 5.218 1.477 1.310 1.00 0.00 O ATOM 0 H SER A 88 3.923 1.879 -1.636 1.00 0.00 H new ATOM 0 HA SER A 88 3.052 0.644 0.580 1.00 0.00 H new ATOM 0 HB2 SER A 88 4.711 2.993 0.007 1.00 0.00 H new ATOM 0 HB3 SER A 88 3.954 3.083 1.585 1.00 0.00 H new ATOM 0 HG SER A 88 5.992 1.972 1.651 1.00 0.00 H new ATOM 1378 N CYS A 89 1.506 3.554 0.303 1.00 0.00 N ATOM 1379 CA CYS A 89 0.330 4.300 0.719 1.00 0.00 C ATOM 1380 C CYS A 89 -0.882 3.370 0.638 1.00 0.00 C ATOM 1381 O CYS A 89 -1.518 3.083 1.651 1.00 0.00 O ATOM 1382 CB CYS A 89 0.136 5.564 -0.120 1.00 0.00 C ATOM 1383 SG CYS A 89 -0.683 6.860 0.881 1.00 0.00 S ATOM 0 H CYS A 89 2.106 4.041 -0.363 1.00 0.00 H new ATOM 0 HA CYS A 89 0.457 4.641 1.746 1.00 0.00 H new ATOM 0 HB2 CYS A 89 1.100 5.924 -0.478 1.00 0.00 H new ATOM 0 HB3 CYS A 89 -0.466 5.338 -1.000 1.00 0.00 H new ATOM 0 HG CYS A 89 0.033 7.110 1.937 1.00 0.00 H new ATOM 1389 N ALA A 90 -1.166 2.924 -0.577 1.00 0.00 N ATOM 1390 CA ALA A 90 -2.290 2.032 -0.803 1.00 0.00 C ATOM 1391 C ALA A 90 -2.253 0.900 0.226 1.00 0.00 C ATOM 1392 O ALA A 90 -3.105 0.833 1.110 1.00 0.00 O ATOM 1393 CB ALA A 90 -2.249 1.513 -2.242 1.00 0.00 C ATOM 0 H ALA A 90 -0.637 3.164 -1.415 1.00 0.00 H new ATOM 0 HA ALA A 90 -3.233 2.563 -0.675 1.00 0.00 H new ATOM 0 HB1 ALA A 90 -3.092 0.844 -2.412 1.00 0.00 H new ATOM 0 HB2 ALA A 90 -2.308 2.353 -2.934 1.00 0.00 H new ATOM 0 HB3 ALA A 90 -1.317 0.972 -2.407 1.00 0.00 H new ATOM 1399 N LEU A 91 -1.258 0.039 0.075 1.00 0.00 N ATOM 1400 CA LEU A 91 -1.099 -1.086 0.981 1.00 0.00 C ATOM 1401 C LEU A 91 -1.385 -0.628 2.412 1.00 0.00 C ATOM 1402 O LEU A 91 -1.907 -1.395 3.220 1.00 0.00 O ATOM 1403 CB LEU A 91 0.280 -1.725 0.804 1.00 0.00 C ATOM 1404 CG LEU A 91 0.656 -2.802 1.824 1.00 0.00 C ATOM 1405 CD1 LEU A 91 -0.182 -4.066 1.622 1.00 0.00 C ATOM 1406 CD2 LEU A 91 2.157 -3.097 1.781 1.00 0.00 C ATOM 0 H LEU A 91 -0.554 0.097 -0.661 1.00 0.00 H new ATOM 0 HA LEU A 91 -1.821 -1.869 0.747 1.00 0.00 H new ATOM 0 HB2 LEU A 91 0.330 -2.163 -0.193 1.00 0.00 H new ATOM 0 HB3 LEU A 91 1.032 -0.937 0.844 1.00 0.00 H new ATOM 0 HG LEU A 91 0.430 -2.422 2.820 1.00 0.00 H new ATOM 0 HD11 LEU A 91 0.106 -4.815 2.360 1.00 0.00 H new ATOM 0 HD12 LEU A 91 -1.238 -3.825 1.742 1.00 0.00 H new ATOM 0 HD13 LEU A 91 -0.011 -4.460 0.620 1.00 0.00 H new ATOM 0 HD21 LEU A 91 2.398 -3.866 2.515 1.00 0.00 H new ATOM 0 HD22 LEU A 91 2.431 -3.447 0.786 1.00 0.00 H new ATOM 0 HD23 LEU A 91 2.713 -2.188 2.011 1.00 0.00 H new ATOM 1418 N SER A 92 -1.031 0.620 2.682 1.00 0.00 N ATOM 1419 CA SER A 92 -1.244 1.189 4.002 1.00 0.00 C ATOM 1420 C SER A 92 -2.732 1.151 4.355 1.00 0.00 C ATOM 1421 O SER A 92 -3.110 0.648 5.412 1.00 0.00 O ATOM 1422 CB SER A 92 -0.718 2.624 4.074 1.00 0.00 C ATOM 1423 OG SER A 92 -0.199 2.938 5.363 1.00 0.00 O ATOM 0 H SER A 92 -0.598 1.253 2.009 1.00 0.00 H new ATOM 0 HA SER A 92 -0.690 0.591 4.726 1.00 0.00 H new ATOM 0 HB2 SER A 92 0.062 2.762 3.326 1.00 0.00 H new ATOM 0 HB3 SER A 92 -1.522 3.318 3.828 1.00 0.00 H new ATOM 0 HG SER A 92 0.128 3.862 5.368 1.00 0.00 H new ATOM 1429 N LEU A 93 -3.536 1.688 3.450 1.00 0.00 N ATOM 1430 CA LEU A 93 -4.975 1.721 3.652 1.00 0.00 C ATOM 1431 C LEU A 93 -5.523 0.294 3.619 1.00 0.00 C ATOM 1432 O LEU A 93 -6.312 -0.092 4.481 1.00 0.00 O ATOM 1433 CB LEU A 93 -5.637 2.658 2.640 1.00 0.00 C ATOM 1434 CG LEU A 93 -5.177 4.117 2.675 1.00 0.00 C ATOM 1435 CD1 LEU A 93 -5.013 4.605 4.115 1.00 0.00 C ATOM 1436 CD2 LEU A 93 -3.899 4.309 1.855 1.00 0.00 C ATOM 0 H LEU A 93 -3.219 2.104 2.574 1.00 0.00 H new ATOM 0 HA LEU A 93 -5.212 2.131 4.634 1.00 0.00 H new ATOM 0 HB2 LEU A 93 -5.457 2.265 1.639 1.00 0.00 H new ATOM 0 HB3 LEU A 93 -6.714 2.634 2.803 1.00 0.00 H new ATOM 0 HG LEU A 93 -5.951 4.731 2.213 1.00 0.00 H new ATOM 0 HD11 LEU A 93 -4.685 5.645 4.112 1.00 0.00 H new ATOM 0 HD12 LEU A 93 -5.967 4.527 4.637 1.00 0.00 H new ATOM 0 HD13 LEU A 93 -4.270 3.992 4.624 1.00 0.00 H new ATOM 0 HD21 LEU A 93 -3.594 5.355 1.897 1.00 0.00 H new ATOM 0 HD22 LEU A 93 -3.106 3.683 2.265 1.00 0.00 H new ATOM 0 HD23 LEU A 93 -4.086 4.026 0.819 1.00 0.00 H new ATOM 1448 N VAL A 94 -5.085 -0.452 2.616 1.00 0.00 N ATOM 1449 CA VAL A 94 -5.522 -1.829 2.459 1.00 0.00 C ATOM 1450 C VAL A 94 -5.313 -2.579 3.776 1.00 0.00 C ATOM 1451 O VAL A 94 -6.255 -3.147 4.327 1.00 0.00 O ATOM 1452 CB VAL A 94 -4.795 -2.478 1.280 1.00 0.00 C ATOM 1453 CG1 VAL A 94 -5.412 -3.835 0.935 1.00 0.00 C ATOM 1454 CG2 VAL A 94 -4.791 -1.552 0.061 1.00 0.00 C ATOM 0 H VAL A 94 -4.431 -0.129 1.903 1.00 0.00 H new ATOM 0 HA VAL A 94 -6.587 -1.868 2.228 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.760 -2.646 1.577 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -4.877 -4.275 0.094 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -5.339 -4.498 1.798 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -6.460 -3.701 0.668 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -4.268 -2.037 -0.763 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.817 -1.338 -0.237 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.285 -0.620 0.313 1.00 0.00 H new ATOM 1464 N ARG A 95 -4.073 -2.556 4.243 1.00 0.00 N ATOM 1465 CA ARG A 95 -3.729 -3.226 5.485 1.00 0.00 C ATOM 1466 C ARG A 95 -4.775 -2.923 6.560 1.00 0.00 C ATOM 1467 O ARG A 95 -5.455 -3.828 7.041 1.00 0.00 O ATOM 1468 CB ARG A 95 -2.351 -2.786 5.985 1.00 0.00 C ATOM 1469 CG ARG A 95 -1.405 -3.982 6.109 1.00 0.00 C ATOM 1470 CD ARG A 95 -0.034 -3.661 5.509 1.00 0.00 C ATOM 1471 NE ARG A 95 0.479 -2.391 6.070 1.00 0.00 N ATOM 1472 CZ ARG A 95 1.774 -2.046 6.085 1.00 0.00 C ATOM 1473 NH1 ARG A 95 2.694 -2.872 5.569 1.00 0.00 N ATOM 1474 NH2 ARG A 95 2.148 -0.874 6.615 1.00 0.00 N ATOM 0 H ARG A 95 -3.295 -2.084 3.783 1.00 0.00 H new ATOM 0 HA ARG A 95 -3.706 -4.298 5.288 1.00 0.00 H new ATOM 0 HB2 ARG A 95 -1.928 -2.053 5.298 1.00 0.00 H new ATOM 0 HB3 ARG A 95 -2.451 -2.295 6.953 1.00 0.00 H new ATOM 0 HG2 ARG A 95 -1.292 -4.254 7.159 1.00 0.00 H new ATOM 0 HG3 ARG A 95 -1.835 -4.845 5.601 1.00 0.00 H new ATOM 0 HD2 ARG A 95 0.664 -4.471 5.722 1.00 0.00 H new ATOM 0 HD3 ARG A 95 -0.111 -3.584 4.424 1.00 0.00 H new ATOM 0 HE ARG A 95 -0.195 -1.738 6.470 1.00 0.00 H new ATOM 0 HH11 ARG A 95 2.409 -3.764 5.164 1.00 0.00 H new ATOM 0 HH12 ARG A 95 3.679 -2.609 5.581 1.00 0.00 H new ATOM 0 HH21 ARG A 95 1.447 -0.245 7.007 1.00 0.00 H new ATOM 0 HH22 ARG A 95 3.133 -0.611 6.627 1.00 0.00 H new ATOM 1488 N GLN A 96 -4.871 -1.648 6.904 1.00 0.00 N ATOM 1489 CA GLN A 96 -5.822 -1.214 7.913 1.00 0.00 C ATOM 1490 C GLN A 96 -7.204 -1.808 7.629 1.00 0.00 C ATOM 1491 O GLN A 96 -7.782 -2.479 8.483 1.00 0.00 O ATOM 1492 CB GLN A 96 -5.886 0.313 7.986 1.00 0.00 C ATOM 1493 CG GLN A 96 -4.904 0.853 9.026 1.00 0.00 C ATOM 1494 CD GLN A 96 -3.536 1.130 8.398 1.00 0.00 C ATOM 1495 OE1 GLN A 96 -2.588 0.380 8.556 1.00 0.00 O ATOM 1496 NE2 GLN A 96 -3.489 2.247 7.677 1.00 0.00 N ATOM 0 H GLN A 96 -4.305 -0.901 6.502 1.00 0.00 H new ATOM 0 HA GLN A 96 -5.484 -1.577 8.884 1.00 0.00 H new ATOM 0 HB2 GLN A 96 -5.656 0.737 7.009 1.00 0.00 H new ATOM 0 HB3 GLN A 96 -6.899 0.626 8.239 1.00 0.00 H new ATOM 0 HG2 GLN A 96 -5.300 1.770 9.463 1.00 0.00 H new ATOM 0 HG3 GLN A 96 -4.796 0.133 9.838 1.00 0.00 H new ATOM 0 HE21 GLN A 96 -4.321 2.830 7.586 1.00 0.00 H new ATOM 0 HE22 GLN A 96 -2.621 2.520 7.216 1.00 0.00 H new ATOM 1505 N LEU A 97 -7.692 -1.540 6.427 1.00 0.00 N ATOM 1506 CA LEU A 97 -8.995 -2.039 6.021 1.00 0.00 C ATOM 1507 C LEU A 97 -9.123 -3.508 6.428 1.00 0.00 C ATOM 1508 O LEU A 97 -9.953 -3.853 7.267 1.00 0.00 O ATOM 1509 CB LEU A 97 -9.221 -1.792 4.528 1.00 0.00 C ATOM 1510 CG LEU A 97 -9.291 -0.327 4.093 1.00 0.00 C ATOM 1511 CD1 LEU A 97 -9.132 -0.197 2.577 1.00 0.00 C ATOM 1512 CD2 LEU A 97 -10.578 0.332 4.593 1.00 0.00 C ATOM 0 H LEU A 97 -7.209 -0.984 5.721 1.00 0.00 H new ATOM 0 HA LEU A 97 -9.788 -1.496 6.534 1.00 0.00 H new ATOM 0 HB2 LEU A 97 -8.417 -2.277 3.974 1.00 0.00 H new ATOM 0 HB3 LEU A 97 -10.150 -2.282 4.236 1.00 0.00 H new ATOM 0 HG LEU A 97 -8.457 0.206 4.551 1.00 0.00 H new ATOM 0 HD11 LEU A 97 -9.186 0.854 2.294 1.00 0.00 H new ATOM 0 HD12 LEU A 97 -8.167 -0.605 2.276 1.00 0.00 H new ATOM 0 HD13 LEU A 97 -9.930 -0.748 2.079 1.00 0.00 H new ATOM 0 HD21 LEU A 97 -10.603 1.373 4.270 1.00 0.00 H new ATOM 0 HD22 LEU A 97 -11.440 -0.196 4.184 1.00 0.00 H new ATOM 0 HD23 LEU A 97 -10.610 0.289 5.682 1.00 0.00 H new ATOM 1524 N TYR A 98 -8.289 -4.334 5.813 1.00 0.00 N ATOM 1525 CA TYR A 98 -8.298 -5.758 6.101 1.00 0.00 C ATOM 1526 C TYR A 98 -8.383 -6.012 7.608 1.00 0.00 C ATOM 1527 O TYR A 98 -8.984 -6.994 8.042 1.00 0.00 O ATOM 1528 CB TYR A 98 -6.967 -6.303 5.579 1.00 0.00 C ATOM 1529 CG TYR A 98 -6.509 -7.590 6.266 1.00 0.00 C ATOM 1530 CD1 TYR A 98 -7.090 -8.796 5.931 1.00 0.00 C ATOM 1531 CD2 TYR A 98 -5.514 -7.546 7.222 1.00 0.00 C ATOM 1532 CE1 TYR A 98 -6.658 -10.008 6.578 1.00 0.00 C ATOM 1533 CE2 TYR A 98 -5.082 -8.757 7.869 1.00 0.00 C ATOM 1534 CZ TYR A 98 -5.676 -9.929 7.515 1.00 0.00 C ATOM 1535 OH TYR A 98 -5.268 -11.073 8.127 1.00 0.00 O ATOM 0 H TYR A 98 -7.603 -4.044 5.116 1.00 0.00 H new ATOM 0 HA TYR A 98 -9.158 -6.238 5.634 1.00 0.00 H new ATOM 0 HB2 TYR A 98 -7.056 -6.487 4.508 1.00 0.00 H new ATOM 0 HB3 TYR A 98 -6.198 -5.541 5.708 1.00 0.00 H new ATOM 0 HD1 TYR A 98 -7.869 -8.831 5.184 1.00 0.00 H new ATOM 0 HD2 TYR A 98 -5.059 -6.602 7.485 1.00 0.00 H new ATOM 0 HE1 TYR A 98 -7.104 -10.958 6.325 1.00 0.00 H new ATOM 0 HE2 TYR A 98 -4.304 -8.736 8.618 1.00 0.00 H new ATOM 0 HH TYR A 98 -5.228 -11.799 7.470 1.00 0.00 H new ATOM 1545 N HIS A 99 -7.773 -5.111 8.363 1.00 0.00 N ATOM 1546 CA HIS A 99 -7.772 -5.225 9.812 1.00 0.00 C ATOM 1547 C HIS A 99 -9.169 -4.911 10.352 1.00 0.00 C ATOM 1548 O HIS A 99 -9.803 -5.762 10.973 1.00 0.00 O ATOM 1549 CB HIS A 99 -6.686 -4.340 10.426 1.00 0.00 C ATOM 1550 CG HIS A 99 -7.218 -3.251 11.326 1.00 0.00 C ATOM 1551 ND1 HIS A 99 -8.072 -3.504 12.386 1.00 0.00 N ATOM 1552 CD2 HIS A 99 -7.008 -1.903 11.314 1.00 0.00 C ATOM 1553 CE1 HIS A 99 -8.357 -2.353 12.977 1.00 0.00 C ATOM 1554 NE2 HIS A 99 -7.697 -1.362 12.312 1.00 0.00 N ATOM 0 H HIS A 99 -7.276 -4.298 7.999 1.00 0.00 H new ATOM 0 HA HIS A 99 -7.530 -6.248 10.100 1.00 0.00 H new ATOM 0 HB2 HIS A 99 -6.001 -4.967 10.997 1.00 0.00 H new ATOM 0 HB3 HIS A 99 -6.107 -3.883 9.623 1.00 0.00 H new ATOM 0 HD2 HIS A 99 -6.387 -1.367 10.612 1.00 0.00 H new ATOM 0 HE1 HIS A 99 -9.000 -2.222 13.835 1.00 0.00 H new ATOM 0 HE2 HIS A 99 -7.728 -0.369 12.543 1.00 0.00 H new ATOM 1562 N LEU A 100 -9.606 -3.688 10.095 1.00 0.00 N ATOM 1563 CA LEU A 100 -10.916 -3.251 10.548 1.00 0.00 C ATOM 1564 C LEU A 100 -11.950 -4.331 10.223 1.00 0.00 C ATOM 1565 O LEU A 100 -12.697 -4.764 11.099 1.00 0.00 O ATOM 1566 CB LEU A 100 -11.256 -1.879 9.962 1.00 0.00 C ATOM 1567 CG LEU A 100 -10.603 -0.677 10.647 1.00 0.00 C ATOM 1568 CD1 LEU A 100 -10.466 0.499 9.678 1.00 0.00 C ATOM 1569 CD2 LEU A 100 -11.366 -0.288 11.915 1.00 0.00 C ATOM 0 H LEU A 100 -9.077 -2.985 9.579 1.00 0.00 H new ATOM 0 HA LEU A 100 -10.920 -3.120 11.630 1.00 0.00 H new ATOM 0 HB2 LEU A 100 -10.968 -1.874 8.911 1.00 0.00 H new ATOM 0 HB3 LEU A 100 -12.338 -1.749 9.997 1.00 0.00 H new ATOM 0 HG LEU A 100 -9.596 -0.963 10.951 1.00 0.00 H new ATOM 0 HD11 LEU A 100 -9.999 1.340 10.190 1.00 0.00 H new ATOM 0 HD12 LEU A 100 -9.848 0.202 8.830 1.00 0.00 H new ATOM 0 HD13 LEU A 100 -11.453 0.794 9.322 1.00 0.00 H new ATOM 0 HD21 LEU A 100 -10.881 0.569 12.383 1.00 0.00 H new ATOM 0 HD22 LEU A 100 -12.392 -0.028 11.657 1.00 0.00 H new ATOM 0 HD23 LEU A 100 -11.368 -1.128 12.610 1.00 0.00 H new ATOM 1581 N GLY A 101 -11.959 -4.736 8.962 1.00 0.00 N ATOM 1582 CA GLY A 101 -12.889 -5.757 8.510 1.00 0.00 C ATOM 1583 C GLY A 101 -13.714 -5.261 7.321 1.00 0.00 C ATOM 1584 O GLY A 101 -14.935 -5.412 7.302 1.00 0.00 O ATOM 0 H GLY A 101 -11.337 -4.376 8.239 1.00 0.00 H new ATOM 0 HA2 GLY A 101 -12.339 -6.654 8.226 1.00 0.00 H new ATOM 0 HA3 GLY A 101 -13.554 -6.036 9.327 1.00 0.00 H new ATOM 1588 N VAL A 102 -13.015 -4.679 6.358 1.00 0.00 N ATOM 1589 CA VAL A 102 -13.667 -4.160 5.169 1.00 0.00 C ATOM 1590 C VAL A 102 -13.455 -5.135 4.009 1.00 0.00 C ATOM 1591 O VAL A 102 -14.418 -5.646 3.439 1.00 0.00 O ATOM 1592 CB VAL A 102 -13.157 -2.750 4.865 1.00 0.00 C ATOM 1593 CG1 VAL A 102 -12.125 -2.305 5.904 1.00 0.00 C ATOM 1594 CG2 VAL A 102 -12.581 -2.668 3.450 1.00 0.00 C ATOM 0 H VAL A 102 -12.003 -4.556 6.377 1.00 0.00 H new ATOM 0 HA VAL A 102 -14.742 -4.075 5.330 1.00 0.00 H new ATOM 0 HB VAL A 102 -14.005 -2.068 4.921 1.00 0.00 H new ATOM 0 HG11 VAL A 102 -11.778 -1.300 5.665 1.00 0.00 H new ATOM 0 HG12 VAL A 102 -12.582 -2.306 6.894 1.00 0.00 H new ATOM 0 HG13 VAL A 102 -11.279 -2.992 5.894 1.00 0.00 H new ATOM 0 HG21 VAL A 102 -12.226 -1.655 3.260 1.00 0.00 H new ATOM 0 HG22 VAL A 102 -11.751 -3.368 3.354 1.00 0.00 H new ATOM 0 HG23 VAL A 102 -13.356 -2.923 2.727 1.00 0.00 H new ATOM 1604 N ILE A 103 -12.189 -5.364 3.694 1.00 0.00 N ATOM 1605 CA ILE A 103 -11.838 -6.268 2.613 1.00 0.00 C ATOM 1606 C ILE A 103 -11.673 -7.683 3.171 1.00 0.00 C ATOM 1607 O ILE A 103 -12.004 -7.941 4.327 1.00 0.00 O ATOM 1608 CB ILE A 103 -10.607 -5.755 1.863 1.00 0.00 C ATOM 1609 CG1 ILE A 103 -9.429 -5.551 2.818 1.00 0.00 C ATOM 1610 CG2 ILE A 103 -10.934 -4.484 1.077 1.00 0.00 C ATOM 1611 CD1 ILE A 103 -8.760 -4.196 2.582 1.00 0.00 C ATOM 0 H ILE A 103 -11.393 -4.939 4.169 1.00 0.00 H new ATOM 0 HA ILE A 103 -12.639 -6.307 1.874 1.00 0.00 H new ATOM 0 HB ILE A 103 -10.308 -6.513 1.139 1.00 0.00 H new ATOM 0 HG12 ILE A 103 -9.777 -5.614 3.849 1.00 0.00 H new ATOM 0 HG13 ILE A 103 -8.700 -6.350 2.678 1.00 0.00 H new ATOM 0 HG21 ILE A 103 -10.042 -4.140 0.553 1.00 0.00 H new ATOM 0 HG22 ILE A 103 -11.721 -4.696 0.353 1.00 0.00 H new ATOM 0 HG23 ILE A 103 -11.273 -3.708 1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 103 -7.926 -4.077 3.274 1.00 0.00 H new ATOM 0 HD12 ILE A 103 -8.392 -4.146 1.557 1.00 0.00 H new ATOM 0 HD13 ILE A 103 -9.485 -3.399 2.746 1.00 0.00 H new ATOM 1623 N GLU A 104 -11.161 -8.563 2.323 1.00 0.00 N ATOM 1624 CA GLU A 104 -10.948 -9.946 2.717 1.00 0.00 C ATOM 1625 C GLU A 104 -9.573 -10.425 2.248 1.00 0.00 C ATOM 1626 O GLU A 104 -9.128 -10.075 1.156 1.00 0.00 O ATOM 1627 CB GLU A 104 -12.058 -10.848 2.174 1.00 0.00 C ATOM 1628 CG GLU A 104 -12.157 -10.739 0.651 1.00 0.00 C ATOM 1629 CD GLU A 104 -13.531 -10.213 0.228 1.00 0.00 C ATOM 1630 OE1 GLU A 104 -13.970 -9.215 0.840 1.00 0.00 O ATOM 1631 OE2 GLU A 104 -14.110 -10.821 -0.698 1.00 0.00 O ATOM 0 H GLU A 104 -10.887 -8.346 1.365 1.00 0.00 H new ATOM 0 HA GLU A 104 -10.979 -10.003 3.805 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -11.862 -11.882 2.456 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -13.011 -10.570 2.625 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -11.378 -10.073 0.279 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -11.983 -11.716 0.201 1.00 0.00 H new ATOM 1638 N ALA A 105 -8.937 -11.220 3.097 1.00 0.00 N ATOM 1639 CA ALA A 105 -7.622 -11.751 2.783 1.00 0.00 C ATOM 1640 C ALA A 105 -7.596 -12.209 1.323 1.00 0.00 C ATOM 1641 O ALA A 105 -8.576 -12.761 0.825 1.00 0.00 O ATOM 1642 CB ALA A 105 -7.283 -12.883 3.755 1.00 0.00 C ATOM 0 H ALA A 105 -9.309 -11.509 4.002 1.00 0.00 H new ATOM 0 HA ALA A 105 -6.860 -10.981 2.900 1.00 0.00 H new ATOM 0 HB1 ALA A 105 -6.296 -13.282 3.519 1.00 0.00 H new ATOM 0 HB2 ALA A 105 -7.285 -12.499 4.775 1.00 0.00 H new ATOM 0 HB3 ALA A 105 -8.026 -13.676 3.664 1.00 0.00 H new ATOM 1648 N TYR A 106 -6.466 -11.961 0.678 1.00 0.00 N ATOM 1649 CA TYR A 106 -6.300 -12.341 -0.714 1.00 0.00 C ATOM 1650 C TYR A 106 -6.400 -13.858 -0.885 1.00 0.00 C ATOM 1651 O TYR A 106 -6.871 -14.557 0.011 1.00 0.00 O ATOM 1652 CB TYR A 106 -4.893 -11.887 -1.111 1.00 0.00 C ATOM 1653 CG TYR A 106 -4.734 -11.584 -2.602 1.00 0.00 C ATOM 1654 CD1 TYR A 106 -5.485 -10.585 -3.187 1.00 0.00 C ATOM 1655 CD2 TYR A 106 -3.840 -12.310 -3.362 1.00 0.00 C ATOM 1656 CE1 TYR A 106 -5.336 -10.300 -4.590 1.00 0.00 C ATOM 1657 CE2 TYR A 106 -3.690 -12.025 -4.765 1.00 0.00 C ATOM 1658 CZ TYR A 106 -4.446 -11.034 -5.310 1.00 0.00 C ATOM 1659 OH TYR A 106 -4.304 -10.765 -6.636 1.00 0.00 O ATOM 0 H TYR A 106 -5.656 -11.501 1.094 1.00 0.00 H new ATOM 0 HA TYR A 106 -7.076 -11.886 -1.330 1.00 0.00 H new ATOM 0 HB2 TYR A 106 -4.636 -10.995 -0.540 1.00 0.00 H new ATOM 0 HB3 TYR A 106 -4.180 -12.662 -0.830 1.00 0.00 H new ATOM 0 HD1 TYR A 106 -6.185 -10.017 -2.592 1.00 0.00 H new ATOM 0 HD2 TYR A 106 -3.253 -13.092 -2.904 1.00 0.00 H new ATOM 0 HE1 TYR A 106 -5.918 -9.521 -5.060 1.00 0.00 H new ATOM 0 HE2 TYR A 106 -2.993 -12.585 -5.371 1.00 0.00 H new ATOM 0 HH TYR A 106 -4.713 -9.898 -6.840 1.00 0.00 H new ATOM 1669 N SER A 107 -5.949 -14.323 -2.041 1.00 0.00 N ATOM 1670 CA SER A 107 -5.982 -15.744 -2.340 1.00 0.00 C ATOM 1671 C SER A 107 -4.559 -16.271 -2.536 1.00 0.00 C ATOM 1672 O SER A 107 -3.844 -16.515 -1.565 1.00 0.00 O ATOM 1673 CB SER A 107 -6.828 -16.026 -3.583 1.00 0.00 C ATOM 1674 OG SER A 107 -6.738 -17.388 -3.992 1.00 0.00 O ATOM 0 H SER A 107 -5.559 -13.740 -2.782 1.00 0.00 H new ATOM 0 HA SER A 107 -6.441 -16.260 -1.497 1.00 0.00 H new ATOM 0 HB2 SER A 107 -7.869 -15.777 -3.377 1.00 0.00 H new ATOM 0 HB3 SER A 107 -6.501 -15.380 -4.398 1.00 0.00 H new ATOM 0 HG SER A 107 -7.293 -17.528 -4.787 1.00 0.00 H new ATOM 1680 N SER A 108 -4.189 -16.430 -3.798 1.00 0.00 N ATOM 1681 CA SER A 108 -2.864 -16.923 -4.134 1.00 0.00 C ATOM 1682 C SER A 108 -2.676 -18.337 -3.580 1.00 0.00 C ATOM 1683 O SER A 108 -3.155 -18.650 -2.491 1.00 0.00 O ATOM 1684 CB SER A 108 -1.777 -15.992 -3.593 1.00 0.00 C ATOM 1685 OG SER A 108 -0.877 -15.573 -4.615 1.00 0.00 O ATOM 0 H SER A 108 -4.784 -16.226 -4.601 1.00 0.00 H new ATOM 0 HA SER A 108 -2.774 -16.950 -5.220 1.00 0.00 H new ATOM 0 HB2 SER A 108 -2.242 -15.117 -3.138 1.00 0.00 H new ATOM 0 HB3 SER A 108 -1.221 -16.502 -2.807 1.00 0.00 H new ATOM 0 HG SER A 108 -0.199 -14.979 -4.230 1.00 0.00 H new ATOM 1691 N GLY A 109 -1.978 -19.154 -4.355 1.00 0.00 N ATOM 1692 CA GLY A 109 -1.721 -20.527 -3.956 1.00 0.00 C ATOM 1693 C GLY A 109 -0.622 -20.592 -2.894 1.00 0.00 C ATOM 1694 O GLY A 109 -0.456 -19.660 -2.109 1.00 0.00 O ATOM 0 H GLY A 109 -1.582 -18.891 -5.258 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -2.636 -20.973 -3.566 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -1.426 -21.113 -4.826 1.00 0.00 H new ATOM 1698 N PRO A 110 0.119 -21.733 -2.903 1.00 0.00 N ATOM 1699 CA PRO A 110 1.198 -21.932 -1.950 1.00 0.00 C ATOM 1700 C PRO A 110 2.421 -21.093 -2.323 1.00 0.00 C ATOM 1701 O PRO A 110 3.394 -21.614 -2.866 1.00 0.00 O ATOM 1702 CB PRO A 110 1.473 -23.426 -1.974 1.00 0.00 C ATOM 1703 CG PRO A 110 0.865 -23.941 -3.269 1.00 0.00 C ATOM 1704 CD PRO A 110 -0.049 -22.858 -3.817 1.00 0.00 C ATOM 0 HA PRO A 110 0.936 -21.605 -0.944 1.00 0.00 H new ATOM 0 HB2 PRO A 110 2.544 -23.627 -1.938 1.00 0.00 H new ATOM 0 HB3 PRO A 110 1.027 -23.919 -1.110 1.00 0.00 H new ATOM 0 HG2 PRO A 110 1.647 -24.181 -3.989 1.00 0.00 H new ATOM 0 HG3 PRO A 110 0.305 -24.859 -3.089 1.00 0.00 H new ATOM 0 HD2 PRO A 110 0.227 -22.585 -4.836 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -1.086 -23.193 -3.846 1.00 0.00 H new ATOM 1712 N SER A 111 2.332 -19.806 -2.018 1.00 0.00 N ATOM 1713 CA SER A 111 3.420 -18.890 -2.314 1.00 0.00 C ATOM 1714 C SER A 111 3.472 -17.781 -1.261 1.00 0.00 C ATOM 1715 O SER A 111 2.505 -17.566 -0.532 1.00 0.00 O ATOM 1716 CB SER A 111 3.266 -18.286 -3.712 1.00 0.00 C ATOM 1717 OG SER A 111 3.215 -19.289 -4.723 1.00 0.00 O ATOM 0 H SER A 111 1.523 -19.377 -1.569 1.00 0.00 H new ATOM 0 HA SER A 111 4.355 -19.450 -2.289 1.00 0.00 H new ATOM 0 HB2 SER A 111 2.357 -17.686 -3.750 1.00 0.00 H new ATOM 0 HB3 SER A 111 4.100 -17.613 -3.910 1.00 0.00 H new ATOM 0 HG SER A 111 3.115 -18.864 -5.600 1.00 0.00 H new ATOM 1723 N SER A 112 4.612 -17.107 -1.213 1.00 0.00 N ATOM 1724 CA SER A 112 4.803 -16.027 -0.261 1.00 0.00 C ATOM 1725 C SER A 112 4.828 -14.683 -0.992 1.00 0.00 C ATOM 1726 O SER A 112 4.020 -13.801 -0.705 1.00 0.00 O ATOM 1727 CB SER A 112 6.092 -16.220 0.540 1.00 0.00 C ATOM 1728 OG SER A 112 5.865 -16.144 1.944 1.00 0.00 O ATOM 0 H SER A 112 5.413 -17.288 -1.818 1.00 0.00 H new ATOM 0 HA SER A 112 3.968 -16.037 0.439 1.00 0.00 H new ATOM 0 HB2 SER A 112 6.529 -17.188 0.295 1.00 0.00 H new ATOM 0 HB3 SER A 112 6.817 -15.460 0.248 1.00 0.00 H new ATOM 0 HG SER A 112 6.712 -16.274 2.420 1.00 0.00 H new ATOM 1734 N GLY A 113 5.764 -14.570 -1.923 1.00 0.00 N ATOM 1735 CA GLY A 113 5.906 -13.348 -2.698 1.00 0.00 C ATOM 1736 C GLY A 113 7.228 -13.337 -3.467 1.00 0.00 C ATOM 1737 O GLY A 113 7.273 -13.718 -4.636 1.00 0.00 O ATOM 0 H GLY A 113 6.432 -15.304 -2.158 1.00 0.00 H new ATOM 0 HA2 GLY A 113 5.074 -13.257 -3.397 1.00 0.00 H new ATOM 0 HA3 GLY A 113 5.860 -12.485 -2.034 1.00 0.00 H new TER 1741 GLY A 113