USER MOD reduce.3.24.130724 H: found=0, std=0, add=926, rem=0, adj=28 USER MOD reduce.3.24.130724 removed 922 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 15 CYS SG : rot 72:sc= -0.173 USER MOD Set 1.2: A 34 ASN : amide:sc= -0.0624 X(o=-0.24,f=-0.26) USER MOD Set 2.1: A 33 GLN : amide:sc= 0.366 K(o=0.78,f=-0.58) USER MOD Set 2.2: A 59 TYR OH : rot -178:sc= 0.415 USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 180:sc= 0 USER MOD Single : A 3 SER OG : rot 24:sc= 0.727 USER MOD Single : A 5 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 9 GLN : amide:sc= -4.6! C(o=-4.6!,f=-4.2!) USER MOD Single : A 10 MET CE :methyl -128:sc= -3.36! (180deg=-7.84!) USER MOD Single : A 13 MET CE :methyl -132:sc= -3.03 (180deg=-4.23!) USER MOD Single : A 17 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 18 GLN : amide:sc= -0.383 K(o=-0.38,f=-2!) USER MOD Single : A 20 MET CE :methyl -178:sc= -3.07! (180deg=-3.1!) USER MOD Single : A 25 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 29 ASN : amide:sc=-0.00776 X(o=-0.0078,f=-0.14) USER MOD Single : A 31 SER OG : rot 180:sc= 0 USER MOD Single : A 36 TYR OH : rot 174:sc= 0.0542 USER MOD Single : A 37 CYS SG : rot 118:sc= -7.99! USER MOD Single : A 43 SER OG : rot 21:sc= 0.0581 USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 48 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 51 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 60 HIS :FLIP no HD1:sc= -0.402 F(o=-3.2,f=-0.4) USER MOD Single : A 66 SER OG : rot 180:sc= 0 USER MOD Single : A 71 GLN : amide:sc= 0 K(o=0,f=-0.67) USER MOD Single : A 73 SER OG : rot 180:sc= 0 USER MOD Single : A 78 TYR OH : rot 146:sc= 0.121 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 82 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 HIS :FLIP no HD1:sc= -2.2 F(o=-3.4,f=-2.2) USER MOD Single : A 86 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 GLN : amide:sc= -0.0928 K(o=-0.093,f=-2.1!) USER MOD Single : A 93 LYS NZ :NH3+ 151:sc= -1.76 (180deg=-3.47!) USER MOD Single : A 95 TYR OH : rot 30:sc= -2.43 USER MOD Single : A 98 GLN : amide:sc= -1.11 K(o=-1.1,f=-3!) USER MOD Single : A 100 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 MET CE :methyl 165:sc= -5.04! (180deg=-5.24!) USER MOD Single : A 106 SER OG : rot 180:sc= 0 USER MOD Single : A 107 SER OG : rot 180:sc= 0 USER MOD Single : A 113 ASN : amide:sc= 0.0433 X(o=0.043,f=-0.021) USER MOD Single : A 118 SER OG : rot 180:sc= 0 USER MOD Single : A 121 SER OG : rot 180:sc= 0 USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -10.606 -24.939 -10.102 1.00 0.00 N ATOM 2 CA GLY A 1 -10.943 -26.235 -10.667 1.00 0.00 C ATOM 3 C GLY A 1 -9.896 -27.286 -10.289 1.00 0.00 C ATOM 4 O GLY A 1 -10.154 -28.151 -9.453 1.00 0.00 O ATOM 0 H1 GLY A 1 -11.330 -24.244 -10.372 1.00 0.00 H new ATOM 0 H2 GLY A 1 -10.566 -25.012 -9.065 1.00 0.00 H new ATOM 0 H3 GLY A 1 -9.680 -24.633 -10.464 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -11.924 -26.548 -10.309 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -11.010 -26.157 -11.752 1.00 0.00 H new ATOM 8 N SER A 2 -8.738 -27.176 -10.923 1.00 0.00 N ATOM 9 CA SER A 2 -7.652 -28.105 -10.664 1.00 0.00 C ATOM 10 C SER A 2 -6.985 -27.772 -9.327 1.00 0.00 C ATOM 11 O SER A 2 -6.938 -28.609 -8.427 1.00 0.00 O ATOM 12 CB SER A 2 -6.620 -28.076 -11.793 1.00 0.00 C ATOM 13 OG SER A 2 -5.636 -29.096 -11.644 1.00 0.00 O ATOM 0 H SER A 2 -8.528 -26.457 -11.616 1.00 0.00 H new ATOM 0 HA SER A 2 -8.068 -29.111 -10.615 1.00 0.00 H new ATOM 0 HB2 SER A 2 -7.127 -28.198 -12.750 1.00 0.00 H new ATOM 0 HB3 SER A 2 -6.132 -27.102 -11.813 1.00 0.00 H new ATOM 0 HG SER A 2 -4.997 -29.045 -12.385 1.00 0.00 H new ATOM 19 N SER A 3 -6.487 -26.547 -9.240 1.00 0.00 N ATOM 20 CA SER A 3 -5.825 -26.093 -8.029 1.00 0.00 C ATOM 21 C SER A 3 -5.815 -24.564 -7.980 1.00 0.00 C ATOM 22 O SER A 3 -5.793 -23.906 -9.020 1.00 0.00 O ATOM 23 CB SER A 3 -4.397 -26.636 -7.945 1.00 0.00 C ATOM 24 OG SER A 3 -4.361 -27.963 -7.426 1.00 0.00 O ATOM 0 H SER A 3 -6.529 -25.855 -9.988 1.00 0.00 H new ATOM 0 HA SER A 3 -6.381 -26.474 -7.172 1.00 0.00 H new ATOM 0 HB2 SER A 3 -3.945 -26.622 -8.937 1.00 0.00 H new ATOM 0 HB3 SER A 3 -3.797 -25.982 -7.312 1.00 0.00 H new ATOM 0 HG SER A 3 -5.225 -28.399 -7.582 1.00 0.00 H new ATOM 30 N GLY A 4 -5.831 -24.043 -6.762 1.00 0.00 N ATOM 31 CA GLY A 4 -5.824 -22.603 -6.564 1.00 0.00 C ATOM 32 C GLY A 4 -6.851 -22.190 -5.508 1.00 0.00 C ATOM 33 O GLY A 4 -8.046 -22.125 -5.791 1.00 0.00 O ATOM 0 H GLY A 4 -5.849 -24.592 -5.902 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -4.830 -22.280 -6.256 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -6.044 -22.102 -7.506 1.00 0.00 H new ATOM 37 N SER A 5 -6.347 -21.921 -4.312 1.00 0.00 N ATOM 38 CA SER A 5 -7.205 -21.516 -3.212 1.00 0.00 C ATOM 39 C SER A 5 -7.014 -20.026 -2.921 1.00 0.00 C ATOM 40 O SER A 5 -5.884 -19.547 -2.835 1.00 0.00 O ATOM 41 CB SER A 5 -6.919 -22.343 -1.957 1.00 0.00 C ATOM 42 OG SER A 5 -8.030 -22.361 -1.065 1.00 0.00 O ATOM 0 H SER A 5 -5.355 -21.976 -4.081 1.00 0.00 H new ATOM 0 HA SER A 5 -8.240 -21.693 -3.503 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.669 -23.364 -2.245 1.00 0.00 H new ATOM 0 HB3 SER A 5 -6.049 -21.934 -1.444 1.00 0.00 H new ATOM 0 HG SER A 5 -7.808 -22.900 -0.277 1.00 0.00 H new ATOM 48 N SER A 6 -8.135 -19.335 -2.777 1.00 0.00 N ATOM 49 CA SER A 6 -8.105 -17.910 -2.497 1.00 0.00 C ATOM 50 C SER A 6 -7.188 -17.630 -1.305 1.00 0.00 C ATOM 51 O SER A 6 -7.179 -18.384 -0.334 1.00 0.00 O ATOM 52 CB SER A 6 -9.511 -17.373 -2.222 1.00 0.00 C ATOM 53 OG SER A 6 -10.103 -17.986 -1.080 1.00 0.00 O ATOM 0 H SER A 6 -9.070 -19.736 -2.849 1.00 0.00 H new ATOM 0 HA SER A 6 -7.715 -17.397 -3.376 1.00 0.00 H new ATOM 0 HB2 SER A 6 -9.464 -16.295 -2.071 1.00 0.00 H new ATOM 0 HB3 SER A 6 -10.142 -17.546 -3.094 1.00 0.00 H new ATOM 0 HG SER A 6 -10.999 -17.615 -0.937 1.00 0.00 H new ATOM 59 N GLY A 7 -6.438 -16.543 -1.418 1.00 0.00 N ATOM 60 CA GLY A 7 -5.519 -16.154 -0.362 1.00 0.00 C ATOM 61 C GLY A 7 -6.095 -15.006 0.469 1.00 0.00 C ATOM 62 O GLY A 7 -7.307 -14.917 0.657 1.00 0.00 O ATOM 0 H GLY A 7 -6.448 -15.920 -2.225 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -5.317 -17.009 0.283 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -4.567 -15.851 -0.797 1.00 0.00 H new ATOM 66 N GLU A 8 -5.197 -14.156 0.946 1.00 0.00 N ATOM 67 CA GLU A 8 -5.600 -13.017 1.754 1.00 0.00 C ATOM 68 C GLU A 8 -5.480 -11.724 0.945 1.00 0.00 C ATOM 69 O GLU A 8 -4.374 -11.283 0.633 1.00 0.00 O ATOM 70 CB GLU A 8 -4.776 -12.937 3.040 1.00 0.00 C ATOM 71 CG GLU A 8 -5.376 -13.826 4.131 1.00 0.00 C ATOM 72 CD GLU A 8 -4.637 -15.163 4.217 1.00 0.00 C ATOM 73 OE1 GLU A 8 -3.533 -15.165 4.805 1.00 0.00 O ATOM 74 OE2 GLU A 8 -5.192 -16.153 3.693 1.00 0.00 O ATOM 0 H GLU A 8 -4.192 -14.233 0.789 1.00 0.00 H new ATOM 0 HA GLU A 8 -6.644 -13.150 2.039 1.00 0.00 H new ATOM 0 HB2 GLU A 8 -3.750 -13.245 2.839 1.00 0.00 H new ATOM 0 HB3 GLU A 8 -4.737 -11.905 3.388 1.00 0.00 H new ATOM 0 HG2 GLU A 8 -5.323 -13.314 5.092 1.00 0.00 H new ATOM 0 HG3 GLU A 8 -6.431 -14.002 3.922 1.00 0.00 H new ATOM 81 N GLN A 9 -6.632 -11.152 0.628 1.00 0.00 N ATOM 82 CA GLN A 9 -6.670 -9.918 -0.139 1.00 0.00 C ATOM 83 C GLN A 9 -6.923 -8.726 0.786 1.00 0.00 C ATOM 84 O GLN A 9 -7.438 -8.891 1.891 1.00 0.00 O ATOM 85 CB GLN A 9 -7.728 -9.990 -1.242 1.00 0.00 C ATOM 86 CG GLN A 9 -9.138 -10.011 -0.649 1.00 0.00 C ATOM 87 CD GLN A 9 -9.580 -8.605 -0.238 1.00 0.00 C ATOM 88 OE1 GLN A 9 -9.559 -8.235 0.925 1.00 0.00 O ATOM 89 NE2 GLN A 9 -9.981 -7.846 -1.253 1.00 0.00 N ATOM 0 H GLN A 9 -7.547 -11.520 0.888 1.00 0.00 H new ATOM 0 HA GLN A 9 -5.701 -9.782 -0.619 1.00 0.00 H new ATOM 0 HB2 GLN A 9 -7.623 -9.134 -1.908 1.00 0.00 H new ATOM 0 HB3 GLN A 9 -7.570 -10.884 -1.845 1.00 0.00 H new ATOM 0 HG2 GLN A 9 -9.838 -10.417 -1.379 1.00 0.00 H new ATOM 0 HG3 GLN A 9 -9.162 -10.672 0.218 1.00 0.00 H new ATOM 0 HE21 GLN A 9 -9.973 -8.218 -2.203 1.00 0.00 H new ATOM 0 HE22 GLN A 9 -10.296 -6.891 -1.082 1.00 0.00 H new ATOM 98 N MET A 10 -6.548 -7.551 0.301 1.00 0.00 N ATOM 99 CA MET A 10 -6.728 -6.332 1.070 1.00 0.00 C ATOM 100 C MET A 10 -6.797 -5.110 0.152 1.00 0.00 C ATOM 101 O MET A 10 -5.962 -4.949 -0.737 1.00 0.00 O ATOM 102 CB MET A 10 -5.564 -6.170 2.050 1.00 0.00 C ATOM 103 CG MET A 10 -5.655 -4.837 2.794 1.00 0.00 C ATOM 104 SD MET A 10 -5.115 -5.042 4.483 1.00 0.00 S ATOM 105 CE MET A 10 -5.546 -3.441 5.144 1.00 0.00 C ATOM 0 H MET A 10 -6.120 -7.418 -0.615 1.00 0.00 H new ATOM 0 HA MET A 10 -7.668 -6.405 1.617 1.00 0.00 H new ATOM 0 HB2 MET A 10 -5.570 -6.991 2.766 1.00 0.00 H new ATOM 0 HB3 MET A 10 -4.619 -6.225 1.510 1.00 0.00 H new ATOM 0 HG2 MET A 10 -5.038 -4.090 2.295 1.00 0.00 H new ATOM 0 HG3 MET A 10 -6.681 -4.469 2.774 1.00 0.00 H new ATOM 0 HE1 MET A 10 -4.680 -3.009 5.645 1.00 0.00 H new ATOM 0 HE2 MET A 10 -5.861 -2.785 4.332 1.00 0.00 H new ATOM 0 HE3 MET A 10 -6.361 -3.550 5.859 1.00 0.00 H new ATOM 115 N GLU A 11 -7.800 -4.280 0.400 1.00 0.00 N ATOM 116 CA GLU A 11 -7.989 -3.077 -0.393 1.00 0.00 C ATOM 117 C GLU A 11 -8.509 -1.938 0.486 1.00 0.00 C ATOM 118 O GLU A 11 -9.529 -2.083 1.157 1.00 0.00 O ATOM 119 CB GLU A 11 -8.933 -3.338 -1.568 1.00 0.00 C ATOM 120 CG GLU A 11 -10.218 -4.024 -1.098 1.00 0.00 C ATOM 121 CD GLU A 11 -11.228 -4.140 -2.241 1.00 0.00 C ATOM 122 OE1 GLU A 11 -10.904 -4.855 -3.214 1.00 0.00 O ATOM 123 OE2 GLU A 11 -12.301 -3.511 -2.116 1.00 0.00 O ATOM 0 H GLU A 11 -8.490 -4.417 1.139 1.00 0.00 H new ATOM 0 HA GLU A 11 -7.024 -2.781 -0.804 1.00 0.00 H new ATOM 0 HB2 GLU A 11 -9.178 -2.396 -2.058 1.00 0.00 H new ATOM 0 HB3 GLU A 11 -8.433 -3.962 -2.309 1.00 0.00 H new ATOM 0 HG2 GLU A 11 -9.984 -5.016 -0.712 1.00 0.00 H new ATOM 0 HG3 GLU A 11 -10.657 -3.458 -0.276 1.00 0.00 H new ATOM 130 N GLY A 12 -7.783 -0.830 0.453 1.00 0.00 N ATOM 131 CA GLY A 12 -8.159 0.334 1.239 1.00 0.00 C ATOM 132 C GLY A 12 -7.350 1.563 0.820 1.00 0.00 C ATOM 133 O GLY A 12 -6.270 1.433 0.245 1.00 0.00 O ATOM 0 H GLY A 12 -6.937 -0.713 -0.105 1.00 0.00 H new ATOM 0 HA2 GLY A 12 -9.223 0.534 1.113 1.00 0.00 H new ATOM 0 HA3 GLY A 12 -7.996 0.131 2.297 1.00 0.00 H new ATOM 137 N MET A 13 -7.903 2.727 1.124 1.00 0.00 N ATOM 138 CA MET A 13 -7.246 3.979 0.785 1.00 0.00 C ATOM 139 C MET A 13 -5.864 4.066 1.435 1.00 0.00 C ATOM 140 O MET A 13 -5.737 3.937 2.652 1.00 0.00 O ATOM 141 CB MET A 13 -8.108 5.152 1.258 1.00 0.00 C ATOM 142 CG MET A 13 -9.044 5.627 0.145 1.00 0.00 C ATOM 143 SD MET A 13 -8.274 6.944 -0.781 1.00 0.00 S ATOM 144 CE MET A 13 -7.912 6.083 -2.302 1.00 0.00 C ATOM 0 H MET A 13 -8.798 2.831 1.601 1.00 0.00 H new ATOM 0 HA MET A 13 -7.121 4.021 -0.297 1.00 0.00 H new ATOM 0 HB2 MET A 13 -8.693 4.851 2.127 1.00 0.00 H new ATOM 0 HB3 MET A 13 -7.467 5.975 1.575 1.00 0.00 H new ATOM 0 HG2 MET A 13 -9.283 4.796 -0.519 1.00 0.00 H new ATOM 0 HG3 MET A 13 -9.984 5.974 0.573 1.00 0.00 H new ATOM 0 HE1 MET A 13 -6.880 6.278 -2.593 1.00 0.00 H new ATOM 0 HE2 MET A 13 -8.052 5.012 -2.156 1.00 0.00 H new ATOM 0 HE3 MET A 13 -8.583 6.433 -3.087 1.00 0.00 H new ATOM 154 N LEU A 14 -4.863 4.284 0.595 1.00 0.00 N ATOM 155 CA LEU A 14 -3.495 4.390 1.073 1.00 0.00 C ATOM 156 C LEU A 14 -2.750 5.440 0.246 1.00 0.00 C ATOM 157 O LEU A 14 -3.135 5.731 -0.886 1.00 0.00 O ATOM 158 CB LEU A 14 -2.820 3.017 1.075 1.00 0.00 C ATOM 159 CG LEU A 14 -2.499 2.429 2.450 1.00 0.00 C ATOM 160 CD1 LEU A 14 -3.745 2.399 3.338 1.00 0.00 C ATOM 161 CD2 LEU A 14 -1.856 1.047 2.319 1.00 0.00 C ATOM 0 H LEU A 14 -4.972 4.390 -0.414 1.00 0.00 H new ATOM 0 HA LEU A 14 -3.479 4.729 2.109 1.00 0.00 H new ATOM 0 HB2 LEU A 14 -3.465 2.317 0.544 1.00 0.00 H new ATOM 0 HB3 LEU A 14 -1.892 3.090 0.507 1.00 0.00 H new ATOM 0 HG LEU A 14 -1.771 3.078 2.937 1.00 0.00 H new ATOM 0 HD11 LEU A 14 -3.489 1.976 4.310 1.00 0.00 H new ATOM 0 HD12 LEU A 14 -4.121 3.413 3.471 1.00 0.00 H new ATOM 0 HD13 LEU A 14 -4.513 1.786 2.867 1.00 0.00 H new ATOM 0 HD21 LEU A 14 -1.638 0.652 3.311 1.00 0.00 H new ATOM 0 HD22 LEU A 14 -2.541 0.374 1.803 1.00 0.00 H new ATOM 0 HD23 LEU A 14 -0.930 1.129 1.750 1.00 0.00 H new ATOM 173 N CYS A 15 -1.697 5.979 0.842 1.00 0.00 N ATOM 174 CA CYS A 15 -0.895 6.991 0.175 1.00 0.00 C ATOM 175 C CYS A 15 0.331 6.307 -0.433 1.00 0.00 C ATOM 176 O CYS A 15 1.329 6.091 0.252 1.00 0.00 O ATOM 177 CB CYS A 15 -0.504 8.122 1.128 1.00 0.00 C ATOM 178 SG CYS A 15 -0.693 9.739 0.291 1.00 0.00 S ATOM 0 H CYS A 15 -1.380 5.734 1.780 1.00 0.00 H new ATOM 0 HA CYS A 15 -1.480 7.459 -0.617 1.00 0.00 H new ATOM 0 HB2 CYS A 15 -1.130 8.090 2.020 1.00 0.00 H new ATOM 0 HB3 CYS A 15 0.527 7.992 1.457 1.00 0.00 H new ATOM 0 HG CYS A 15 -1.957 10.013 0.156 1.00 0.00 H new ATOM 184 N ARG A 16 0.216 5.986 -1.713 1.00 0.00 N ATOM 185 CA ARG A 16 1.302 5.331 -2.422 1.00 0.00 C ATOM 186 C ARG A 16 2.249 6.373 -3.021 1.00 0.00 C ATOM 187 O ARG A 16 1.839 7.189 -3.844 1.00 0.00 O ATOM 188 CB ARG A 16 0.769 4.433 -3.540 1.00 0.00 C ATOM 189 CG ARG A 16 1.914 3.725 -4.267 1.00 0.00 C ATOM 190 CD ARG A 16 1.659 3.676 -5.775 1.00 0.00 C ATOM 191 NE ARG A 16 1.965 4.990 -6.383 1.00 0.00 N ATOM 192 CZ ARG A 16 2.033 5.210 -7.703 1.00 0.00 C ATOM 193 NH1 ARG A 16 1.817 4.204 -8.562 1.00 0.00 N ATOM 194 NH2 ARG A 16 2.316 6.435 -8.165 1.00 0.00 N ATOM 0 H ARG A 16 -0.614 6.168 -2.278 1.00 0.00 H new ATOM 0 HA ARG A 16 1.842 4.714 -1.704 1.00 0.00 H new ATOM 0 HB2 ARG A 16 0.086 3.693 -3.123 1.00 0.00 H new ATOM 0 HB3 ARG A 16 0.197 5.031 -4.250 1.00 0.00 H new ATOM 0 HG2 ARG A 16 2.851 4.245 -4.070 1.00 0.00 H new ATOM 0 HG3 ARG A 16 2.024 2.712 -3.880 1.00 0.00 H new ATOM 0 HD2 ARG A 16 2.276 2.902 -6.232 1.00 0.00 H new ATOM 0 HD3 ARG A 16 0.620 3.410 -5.968 1.00 0.00 H new ATOM 0 HE ARG A 16 2.135 5.778 -5.758 1.00 0.00 H new ATOM 0 HH11 ARG A 16 1.601 3.271 -8.211 1.00 0.00 H new ATOM 0 HH12 ARG A 16 1.869 4.371 -9.567 1.00 0.00 H new ATOM 0 HH21 ARG A 16 2.480 7.201 -7.512 1.00 0.00 H new ATOM 0 HH22 ARG A 16 2.368 6.602 -9.170 1.00 0.00 H new ATOM 208 N LYS A 17 3.499 6.311 -2.584 1.00 0.00 N ATOM 209 CA LYS A 17 4.507 7.239 -3.067 1.00 0.00 C ATOM 210 C LYS A 17 5.683 6.450 -3.648 1.00 0.00 C ATOM 211 O LYS A 17 6.556 5.997 -2.910 1.00 0.00 O ATOM 212 CB LYS A 17 4.909 8.217 -1.962 1.00 0.00 C ATOM 213 CG LYS A 17 5.893 9.264 -2.487 1.00 0.00 C ATOM 214 CD LYS A 17 6.972 9.572 -1.447 1.00 0.00 C ATOM 215 CE LYS A 17 8.361 9.591 -2.088 1.00 0.00 C ATOM 216 NZ LYS A 17 9.408 9.740 -1.052 1.00 0.00 N ATOM 0 H LYS A 17 3.836 5.633 -1.901 1.00 0.00 H new ATOM 0 HA LYS A 17 4.105 7.853 -3.873 1.00 0.00 H new ATOM 0 HB2 LYS A 17 4.021 8.712 -1.569 1.00 0.00 H new ATOM 0 HB3 LYS A 17 5.361 7.670 -1.135 1.00 0.00 H new ATOM 0 HG2 LYS A 17 6.359 8.903 -3.404 1.00 0.00 H new ATOM 0 HG3 LYS A 17 5.356 10.178 -2.741 1.00 0.00 H new ATOM 0 HD2 LYS A 17 6.769 10.537 -0.982 1.00 0.00 H new ATOM 0 HD3 LYS A 17 6.943 8.824 -0.655 1.00 0.00 H new ATOM 0 HE2 LYS A 17 8.523 8.669 -2.647 1.00 0.00 H new ATOM 0 HE3 LYS A 17 8.428 10.412 -2.802 1.00 0.00 H new ATOM 0 HZ1 LYS A 17 10.345 9.751 -1.504 1.00 0.00 H new ATOM 0 HZ2 LYS A 17 9.262 10.631 -0.536 1.00 0.00 H new ATOM 0 HZ3 LYS A 17 9.354 8.942 -0.387 1.00 0.00 H new ATOM 230 N GLN A 18 5.667 6.311 -4.966 1.00 0.00 N ATOM 231 CA GLN A 18 6.722 5.586 -5.654 1.00 0.00 C ATOM 232 C GLN A 18 8.060 6.309 -5.487 1.00 0.00 C ATOM 233 O GLN A 18 8.247 7.404 -6.014 1.00 0.00 O ATOM 234 CB GLN A 18 6.381 5.397 -7.134 1.00 0.00 C ATOM 235 CG GLN A 18 7.462 4.581 -7.845 1.00 0.00 C ATOM 236 CD GLN A 18 6.858 3.727 -8.962 1.00 0.00 C ATOM 237 OE1 GLN A 18 5.677 3.794 -9.260 1.00 0.00 O ATOM 238 NE2 GLN A 18 7.732 2.922 -9.560 1.00 0.00 N ATOM 0 H GLN A 18 4.941 6.688 -5.575 1.00 0.00 H new ATOM 0 HA GLN A 18 6.809 4.596 -5.205 1.00 0.00 H new ATOM 0 HB2 GLN A 18 5.419 4.893 -7.228 1.00 0.00 H new ATOM 0 HB3 GLN A 18 6.279 6.370 -7.615 1.00 0.00 H new ATOM 0 HG2 GLN A 18 8.214 5.251 -8.261 1.00 0.00 H new ATOM 0 HG3 GLN A 18 7.970 3.939 -7.126 1.00 0.00 H new ATOM 0 HE21 GLN A 18 8.707 2.916 -9.261 1.00 0.00 H new ATOM 0 HE22 GLN A 18 7.427 2.311 -10.318 1.00 0.00 H new ATOM 247 N GLU A 19 8.955 5.666 -4.752 1.00 0.00 N ATOM 248 CA GLU A 19 10.271 6.234 -4.510 1.00 0.00 C ATOM 249 C GLU A 19 11.269 5.726 -5.551 1.00 0.00 C ATOM 250 O GLU A 19 12.030 6.507 -6.120 1.00 0.00 O ATOM 251 CB GLU A 19 10.750 5.920 -3.091 1.00 0.00 C ATOM 252 CG GLU A 19 9.574 5.861 -2.115 1.00 0.00 C ATOM 253 CD GLU A 19 9.013 4.441 -2.016 1.00 0.00 C ATOM 254 OE1 GLU A 19 9.810 3.501 -2.226 1.00 0.00 O ATOM 255 OE2 GLU A 19 7.801 4.327 -1.733 1.00 0.00 O ATOM 0 H GLU A 19 8.795 4.758 -4.316 1.00 0.00 H new ATOM 0 HA GLU A 19 10.200 7.318 -4.603 1.00 0.00 H new ATOM 0 HB2 GLU A 19 11.280 4.968 -3.085 1.00 0.00 H new ATOM 0 HB3 GLU A 19 11.459 6.682 -2.766 1.00 0.00 H new ATOM 0 HG2 GLU A 19 9.897 6.197 -1.130 1.00 0.00 H new ATOM 0 HG3 GLU A 19 8.790 6.543 -2.443 1.00 0.00 H new ATOM 262 N MET A 20 11.234 4.419 -5.770 1.00 0.00 N ATOM 263 CA MET A 20 12.126 3.797 -6.733 1.00 0.00 C ATOM 264 C MET A 20 11.343 2.952 -7.740 1.00 0.00 C ATOM 265 O MET A 20 10.250 2.476 -7.439 1.00 0.00 O ATOM 266 CB MET A 20 13.134 2.911 -5.998 1.00 0.00 C ATOM 267 CG MET A 20 14.070 3.752 -5.126 1.00 0.00 C ATOM 268 SD MET A 20 15.067 4.818 -6.154 1.00 0.00 S ATOM 269 CE MET A 20 16.314 3.658 -6.687 1.00 0.00 C ATOM 0 H MET A 20 10.601 3.774 -5.296 1.00 0.00 H new ATOM 0 HA MET A 20 12.649 4.584 -7.276 1.00 0.00 H new ATOM 0 HB2 MET A 20 12.604 2.189 -5.377 1.00 0.00 H new ATOM 0 HB3 MET A 20 13.718 2.342 -6.721 1.00 0.00 H new ATOM 0 HG2 MET A 20 13.488 4.350 -4.425 1.00 0.00 H new ATOM 0 HG3 MET A 20 14.712 3.100 -4.533 1.00 0.00 H new ATOM 0 HE1 MET A 20 17.044 4.171 -7.313 1.00 0.00 H new ATOM 0 HE2 MET A 20 16.816 3.237 -5.816 1.00 0.00 H new ATOM 0 HE3 MET A 20 15.845 2.857 -7.258 1.00 0.00 H new ATOM 279 N GLU A 21 11.933 2.792 -8.915 1.00 0.00 N ATOM 280 CA GLU A 21 11.305 2.013 -9.968 1.00 0.00 C ATOM 281 C GLU A 21 12.078 0.714 -10.201 1.00 0.00 C ATOM 282 O GLU A 21 11.591 -0.190 -10.879 1.00 0.00 O ATOM 283 CB GLU A 21 11.195 2.825 -11.260 1.00 0.00 C ATOM 284 CG GLU A 21 10.964 1.911 -12.465 1.00 0.00 C ATOM 285 CD GLU A 21 10.295 2.672 -13.611 1.00 0.00 C ATOM 286 OE1 GLU A 21 9.255 3.310 -13.338 1.00 0.00 O ATOM 287 OE2 GLU A 21 10.839 2.600 -14.734 1.00 0.00 O ATOM 0 H GLU A 21 12.840 3.189 -9.161 1.00 0.00 H new ATOM 0 HA GLU A 21 10.294 1.759 -9.650 1.00 0.00 H new ATOM 0 HB2 GLU A 21 10.374 3.537 -11.177 1.00 0.00 H new ATOM 0 HB3 GLU A 21 12.106 3.404 -11.408 1.00 0.00 H new ATOM 0 HG2 GLU A 21 11.916 1.501 -12.803 1.00 0.00 H new ATOM 0 HG3 GLU A 21 10.340 1.067 -12.171 1.00 0.00 H new ATOM 294 N ALA A 22 13.271 0.661 -9.627 1.00 0.00 N ATOM 295 CA ALA A 22 14.117 -0.512 -9.764 1.00 0.00 C ATOM 296 C ALA A 22 15.463 -0.247 -9.087 1.00 0.00 C ATOM 297 O ALA A 22 15.722 0.864 -8.626 1.00 0.00 O ATOM 298 CB ALA A 22 14.268 -0.862 -11.245 1.00 0.00 C ATOM 0 H ALA A 22 13.672 1.412 -9.066 1.00 0.00 H new ATOM 0 HA ALA A 22 13.664 -1.372 -9.270 1.00 0.00 H new ATOM 0 HB1 ALA A 22 14.903 -1.742 -11.348 1.00 0.00 H new ATOM 0 HB2 ALA A 22 13.287 -1.070 -11.672 1.00 0.00 H new ATOM 0 HB3 ALA A 22 14.722 -0.023 -11.773 1.00 0.00 H new ATOM 304 N PHE A 23 16.285 -1.285 -9.049 1.00 0.00 N ATOM 305 CA PHE A 23 17.598 -1.178 -8.436 1.00 0.00 C ATOM 306 C PHE A 23 18.338 0.063 -8.938 1.00 0.00 C ATOM 307 O PHE A 23 18.661 0.162 -10.120 1.00 0.00 O ATOM 308 CB PHE A 23 18.385 -2.426 -8.844 1.00 0.00 C ATOM 309 CG PHE A 23 17.687 -3.742 -8.498 1.00 0.00 C ATOM 310 CD1 PHE A 23 17.326 -4.004 -7.213 1.00 0.00 C ATOM 311 CD2 PHE A 23 17.427 -4.651 -9.476 1.00 0.00 C ATOM 312 CE1 PHE A 23 16.678 -5.226 -6.892 1.00 0.00 C ATOM 313 CE2 PHE A 23 16.779 -5.874 -9.155 1.00 0.00 C ATOM 314 CZ PHE A 23 16.419 -6.135 -7.870 1.00 0.00 C ATOM 0 H PHE A 23 16.067 -2.205 -9.433 1.00 0.00 H new ATOM 0 HA PHE A 23 17.498 -1.095 -7.354 1.00 0.00 H new ATOM 0 HB2 PHE A 23 18.566 -2.394 -9.918 1.00 0.00 H new ATOM 0 HB3 PHE A 23 19.359 -2.404 -8.356 1.00 0.00 H new ATOM 0 HD1 PHE A 23 17.532 -3.282 -6.437 1.00 0.00 H new ATOM 0 HD2 PHE A 23 17.713 -4.443 -10.496 1.00 0.00 H new ATOM 0 HE1 PHE A 23 16.391 -5.434 -5.872 1.00 0.00 H new ATOM 0 HE2 PHE A 23 16.572 -6.596 -9.931 1.00 0.00 H new ATOM 0 HZ PHE A 23 15.927 -7.065 -7.626 1.00 0.00 H new ATOM 324 N GLY A 24 18.584 0.980 -8.013 1.00 0.00 N ATOM 325 CA GLY A 24 19.280 2.211 -8.347 1.00 0.00 C ATOM 326 C GLY A 24 18.491 3.025 -9.375 1.00 0.00 C ATOM 327 O GLY A 24 19.014 3.979 -9.949 1.00 0.00 O ATOM 0 H GLY A 24 18.314 0.895 -7.033 1.00 0.00 H new ATOM 0 HA2 GLY A 24 19.430 2.805 -7.445 1.00 0.00 H new ATOM 0 HA3 GLY A 24 20.268 1.978 -8.743 1.00 0.00 H new ATOM 331 N LYS A 25 17.247 2.618 -9.576 1.00 0.00 N ATOM 332 CA LYS A 25 16.381 3.297 -10.526 1.00 0.00 C ATOM 333 C LYS A 25 15.500 4.300 -9.778 1.00 0.00 C ATOM 334 O LYS A 25 14.835 3.944 -8.806 1.00 0.00 O ATOM 335 CB LYS A 25 15.591 2.281 -11.353 1.00 0.00 C ATOM 336 CG LYS A 25 14.459 2.963 -12.124 1.00 0.00 C ATOM 337 CD LYS A 25 14.892 3.294 -13.553 1.00 0.00 C ATOM 338 CE LYS A 25 15.373 4.743 -13.659 1.00 0.00 C ATOM 339 NZ LYS A 25 16.100 4.956 -14.930 1.00 0.00 N ATOM 0 H LYS A 25 16.817 1.826 -9.097 1.00 0.00 H new ATOM 0 HA LYS A 25 16.973 3.865 -11.244 1.00 0.00 H new ATOM 0 HB2 LYS A 25 16.259 1.777 -12.051 1.00 0.00 H new ATOM 0 HB3 LYS A 25 15.179 1.515 -10.697 1.00 0.00 H new ATOM 0 HG2 LYS A 25 13.585 2.312 -12.146 1.00 0.00 H new ATOM 0 HG3 LYS A 25 14.162 3.877 -11.609 1.00 0.00 H new ATOM 0 HD2 LYS A 25 15.690 2.619 -13.860 1.00 0.00 H new ATOM 0 HD3 LYS A 25 14.058 3.133 -14.236 1.00 0.00 H new ATOM 0 HE2 LYS A 25 14.521 5.420 -13.603 1.00 0.00 H new ATOM 0 HE3 LYS A 25 16.024 4.979 -12.817 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 16.419 5.944 -14.986 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 16.924 4.323 -14.969 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 15.468 4.751 -15.730 1.00 0.00 H new ATOM 353 N LYS A 26 15.523 5.534 -10.261 1.00 0.00 N ATOM 354 CA LYS A 26 14.735 6.591 -9.650 1.00 0.00 C ATOM 355 C LYS A 26 13.391 6.701 -10.374 1.00 0.00 C ATOM 356 O LYS A 26 13.334 6.618 -11.600 1.00 0.00 O ATOM 357 CB LYS A 26 15.526 7.900 -9.619 1.00 0.00 C ATOM 358 CG LYS A 26 15.725 8.454 -11.032 1.00 0.00 C ATOM 359 CD LYS A 26 16.792 9.550 -11.045 1.00 0.00 C ATOM 360 CE LYS A 26 18.188 8.953 -11.233 1.00 0.00 C ATOM 361 NZ LYS A 26 19.198 9.760 -10.511 1.00 0.00 N ATOM 0 H LYS A 26 16.075 5.825 -11.068 1.00 0.00 H new ATOM 0 HA LYS A 26 14.519 6.352 -8.609 1.00 0.00 H new ATOM 0 HB2 LYS A 26 14.999 8.633 -9.008 1.00 0.00 H new ATOM 0 HB3 LYS A 26 16.496 7.732 -9.150 1.00 0.00 H new ATOM 0 HG2 LYS A 26 16.018 7.648 -11.705 1.00 0.00 H new ATOM 0 HG3 LYS A 26 14.783 8.854 -11.406 1.00 0.00 H new ATOM 0 HD2 LYS A 26 16.583 10.256 -11.849 1.00 0.00 H new ATOM 0 HD3 LYS A 26 16.755 10.110 -10.111 1.00 0.00 H new ATOM 0 HE2 LYS A 26 18.204 7.927 -10.866 1.00 0.00 H new ATOM 0 HE3 LYS A 26 18.434 8.916 -12.294 1.00 0.00 H new ATOM 0 HZ1 LYS A 26 20.140 9.341 -10.649 1.00 0.00 H new ATOM 0 HZ2 LYS A 26 19.194 10.732 -10.880 1.00 0.00 H new ATOM 0 HZ3 LYS A 26 18.970 9.774 -9.496 1.00 0.00 H new ATOM 375 N ALA A 27 12.343 6.887 -9.585 1.00 0.00 N ATOM 376 CA ALA A 27 11.004 7.010 -10.135 1.00 0.00 C ATOM 377 C ALA A 27 10.814 8.422 -10.693 1.00 0.00 C ATOM 378 O ALA A 27 11.159 9.404 -10.038 1.00 0.00 O ATOM 379 CB ALA A 27 9.975 6.667 -9.056 1.00 0.00 C ATOM 0 H ALA A 27 12.394 6.956 -8.569 1.00 0.00 H new ATOM 0 HA ALA A 27 10.861 6.308 -10.957 1.00 0.00 H new ATOM 0 HB1 ALA A 27 8.970 6.759 -9.469 1.00 0.00 H new ATOM 0 HB2 ALA A 27 10.134 5.644 -8.713 1.00 0.00 H new ATOM 0 HB3 ALA A 27 10.086 7.352 -8.216 1.00 0.00 H new ATOM 385 N ALA A 28 10.267 8.478 -11.899 1.00 0.00 N ATOM 386 CA ALA A 28 10.028 9.753 -12.553 1.00 0.00 C ATOM 387 C ALA A 28 9.490 10.754 -11.528 1.00 0.00 C ATOM 388 O ALA A 28 10.177 11.710 -11.169 1.00 0.00 O ATOM 389 CB ALA A 28 9.070 9.552 -13.729 1.00 0.00 C ATOM 0 H ALA A 28 9.983 7.661 -12.440 1.00 0.00 H new ATOM 0 HA ALA A 28 10.957 10.158 -12.954 1.00 0.00 H new ATOM 0 HB1 ALA A 28 8.891 10.509 -14.220 1.00 0.00 H new ATOM 0 HB2 ALA A 28 9.511 8.855 -14.442 1.00 0.00 H new ATOM 0 HB3 ALA A 28 8.125 9.149 -13.364 1.00 0.00 H new ATOM 395 N ASN A 29 8.267 10.501 -11.086 1.00 0.00 N ATOM 396 CA ASN A 29 7.630 11.368 -10.109 1.00 0.00 C ATOM 397 C ASN A 29 7.594 10.661 -8.753 1.00 0.00 C ATOM 398 O ASN A 29 7.036 9.572 -8.631 1.00 0.00 O ATOM 399 CB ASN A 29 6.190 11.688 -10.514 1.00 0.00 C ATOM 400 CG ASN A 29 6.074 11.875 -12.028 1.00 0.00 C ATOM 401 OD1 ASN A 29 6.897 12.511 -12.666 1.00 0.00 O ATOM 402 ND2 ASN A 29 5.009 11.286 -12.566 1.00 0.00 N ATOM 0 H ASN A 29 7.700 9.708 -11.386 1.00 0.00 H new ATOM 0 HA ASN A 29 8.203 12.293 -10.054 1.00 0.00 H new ATOM 0 HB2 ASN A 29 5.530 10.882 -10.192 1.00 0.00 H new ATOM 0 HB3 ASN A 29 5.858 12.593 -10.006 1.00 0.00 H new ATOM 0 HD21 ASN A 29 4.843 11.352 -13.570 1.00 0.00 H new ATOM 0 HD22 ASN A 29 4.359 10.769 -11.974 1.00 0.00 H new ATOM 409 N ARG A 30 8.198 11.310 -7.768 1.00 0.00 N ATOM 410 CA ARG A 30 8.242 10.758 -6.424 1.00 0.00 C ATOM 411 C ARG A 30 7.473 11.657 -5.455 1.00 0.00 C ATOM 412 O ARG A 30 8.052 12.206 -4.519 1.00 0.00 O ATOM 413 CB ARG A 30 9.684 10.610 -5.937 1.00 0.00 C ATOM 414 CG ARG A 30 10.482 9.682 -6.856 1.00 0.00 C ATOM 415 CD ARG A 30 11.954 10.095 -6.908 1.00 0.00 C ATOM 416 NE ARG A 30 12.148 11.152 -7.926 1.00 0.00 N ATOM 417 CZ ARG A 30 13.235 11.932 -8.000 1.00 0.00 C ATOM 418 NH1 ARG A 30 14.231 11.780 -7.117 1.00 0.00 N ATOM 419 NH2 ARG A 30 13.324 12.866 -8.957 1.00 0.00 N ATOM 0 H ARG A 30 8.661 12.213 -7.874 1.00 0.00 H new ATOM 0 HA ARG A 30 7.778 9.772 -6.455 1.00 0.00 H new ATOM 0 HB2 ARG A 30 10.161 11.589 -5.900 1.00 0.00 H new ATOM 0 HB3 ARG A 30 9.690 10.214 -4.921 1.00 0.00 H new ATOM 0 HG2 ARG A 30 10.401 8.655 -6.500 1.00 0.00 H new ATOM 0 HG3 ARG A 30 10.058 9.706 -7.860 1.00 0.00 H new ATOM 0 HD2 ARG A 30 12.273 10.457 -5.931 1.00 0.00 H new ATOM 0 HD3 ARG A 30 12.574 9.231 -7.146 1.00 0.00 H new ATOM 0 HE ARG A 30 11.408 11.295 -8.614 1.00 0.00 H new ATOM 0 HH11 ARG A 30 14.162 11.070 -6.388 1.00 0.00 H new ATOM 0 HH12 ARG A 30 15.058 12.374 -7.174 1.00 0.00 H new ATOM 0 HH21 ARG A 30 12.565 12.983 -9.628 1.00 0.00 H new ATOM 0 HH22 ARG A 30 14.151 13.460 -9.014 1.00 0.00 H new ATOM 433 N SER A 31 6.179 11.781 -5.712 1.00 0.00 N ATOM 434 CA SER A 31 5.324 12.605 -4.874 1.00 0.00 C ATOM 435 C SER A 31 4.261 11.737 -4.199 1.00 0.00 C ATOM 436 O SER A 31 3.952 10.645 -4.674 1.00 0.00 O ATOM 437 CB SER A 31 4.663 13.718 -5.688 1.00 0.00 C ATOM 438 OG SER A 31 4.501 13.355 -7.056 1.00 0.00 O ATOM 0 H SER A 31 5.702 11.324 -6.489 1.00 0.00 H new ATOM 0 HA SER A 31 5.943 13.072 -4.108 1.00 0.00 H new ATOM 0 HB2 SER A 31 3.689 13.953 -5.258 1.00 0.00 H new ATOM 0 HB3 SER A 31 5.267 14.623 -5.622 1.00 0.00 H new ATOM 0 HG SER A 31 4.074 14.091 -7.541 1.00 0.00 H new ATOM 444 N TRP A 32 3.729 12.255 -3.101 1.00 0.00 N ATOM 445 CA TRP A 32 2.706 11.541 -2.356 1.00 0.00 C ATOM 446 C TRP A 32 1.371 11.743 -3.074 1.00 0.00 C ATOM 447 O TRP A 32 1.017 12.865 -3.431 1.00 0.00 O ATOM 448 CB TRP A 32 2.674 11.996 -0.895 1.00 0.00 C ATOM 449 CG TRP A 32 3.827 11.452 -0.049 1.00 0.00 C ATOM 450 CD1 TRP A 32 5.013 12.025 0.196 1.00 0.00 C ATOM 451 CD2 TRP A 32 3.855 10.194 0.659 1.00 0.00 C ATOM 452 NE1 TRP A 32 5.800 11.233 1.007 1.00 0.00 N ATOM 453 CE2 TRP A 32 5.073 10.084 1.297 1.00 0.00 C ATOM 454 CE3 TRP A 32 2.883 9.183 0.757 1.00 0.00 C ATOM 455 CZ2 TRP A 32 5.433 8.979 2.078 1.00 0.00 C ATOM 456 CZ3 TRP A 32 3.257 8.086 1.541 1.00 0.00 C ATOM 457 CH2 TRP A 32 4.480 7.960 2.190 1.00 0.00 C ATOM 0 H TRP A 32 3.987 13.161 -2.710 1.00 0.00 H new ATOM 0 HA TRP A 32 2.926 10.474 -2.324 1.00 0.00 H new ATOM 0 HB2 TRP A 32 2.696 13.085 -0.864 1.00 0.00 H new ATOM 0 HB3 TRP A 32 1.730 11.684 -0.448 1.00 0.00 H new ATOM 0 HD1 TRP A 32 5.315 12.986 -0.193 1.00 0.00 H new ATOM 0 HE1 TRP A 32 6.742 11.451 1.333 1.00 0.00 H new ATOM 0 HE3 TRP A 32 1.923 9.248 0.266 1.00 0.00 H new ATOM 0 HZ2 TRP A 32 6.394 8.916 2.567 1.00 0.00 H new ATOM 0 HZ3 TRP A 32 2.546 7.281 1.650 1.00 0.00 H new ATOM 0 HH2 TRP A 32 4.694 7.080 2.778 1.00 0.00 H new ATOM 468 N GLN A 33 0.665 10.637 -3.265 1.00 0.00 N ATOM 469 CA GLN A 33 -0.624 10.679 -3.934 1.00 0.00 C ATOM 470 C GLN A 33 -1.554 9.607 -3.362 1.00 0.00 C ATOM 471 O GLN A 33 -1.145 8.462 -3.173 1.00 0.00 O ATOM 472 CB GLN A 33 -0.462 10.513 -5.447 1.00 0.00 C ATOM 473 CG GLN A 33 0.261 11.717 -6.055 1.00 0.00 C ATOM 474 CD GLN A 33 0.033 11.786 -7.566 1.00 0.00 C ATOM 475 OE1 GLN A 33 -1.087 11.831 -8.050 1.00 0.00 O ATOM 476 NE2 GLN A 33 1.153 11.793 -8.283 1.00 0.00 N ATOM 0 H GLN A 33 0.962 9.707 -2.968 1.00 0.00 H new ATOM 0 HA GLN A 33 -1.073 11.656 -3.754 1.00 0.00 H new ATOM 0 HB2 GLN A 33 0.098 9.602 -5.659 1.00 0.00 H new ATOM 0 HB3 GLN A 33 -1.442 10.400 -5.911 1.00 0.00 H new ATOM 0 HG2 GLN A 33 -0.096 12.635 -5.587 1.00 0.00 H new ATOM 0 HG3 GLN A 33 1.329 11.648 -5.847 1.00 0.00 H new ATOM 0 HE21 GLN A 33 2.058 11.753 -7.815 1.00 0.00 H new ATOM 0 HE22 GLN A 33 1.107 11.838 -9.301 1.00 0.00 H new ATOM 485 N ASN A 34 -2.787 10.016 -3.101 1.00 0.00 N ATOM 486 CA ASN A 34 -3.778 9.105 -2.555 1.00 0.00 C ATOM 487 C ASN A 34 -4.142 8.060 -3.611 1.00 0.00 C ATOM 488 O ASN A 34 -4.882 8.353 -4.550 1.00 0.00 O ATOM 489 CB ASN A 34 -5.056 9.850 -2.166 1.00 0.00 C ATOM 490 CG ASN A 34 -5.238 9.872 -0.647 1.00 0.00 C ATOM 491 OD1 ASN A 34 -4.319 10.138 0.110 1.00 0.00 O ATOM 492 ND2 ASN A 34 -6.471 9.578 -0.246 1.00 0.00 N ATOM 0 H ASN A 34 -3.122 10.967 -3.258 1.00 0.00 H new ATOM 0 HA ASN A 34 -3.351 8.635 -1.669 1.00 0.00 H new ATOM 0 HB2 ASN A 34 -5.016 10.871 -2.546 1.00 0.00 H new ATOM 0 HB3 ASN A 34 -5.917 9.370 -2.632 1.00 0.00 H new ATOM 0 HD21 ASN A 34 -6.694 9.566 0.749 1.00 0.00 H new ATOM 0 HD22 ASN A 34 -7.194 9.365 -0.934 1.00 0.00 H new ATOM 499 N VAL A 35 -3.606 6.863 -3.424 1.00 0.00 N ATOM 500 CA VAL A 35 -3.866 5.773 -4.349 1.00 0.00 C ATOM 501 C VAL A 35 -4.429 4.578 -3.578 1.00 0.00 C ATOM 502 O VAL A 35 -3.817 4.110 -2.619 1.00 0.00 O ATOM 503 CB VAL A 35 -2.594 5.436 -5.130 1.00 0.00 C ATOM 504 CG1 VAL A 35 -2.876 4.392 -6.213 1.00 0.00 C ATOM 505 CG2 VAL A 35 -1.969 6.696 -5.732 1.00 0.00 C ATOM 0 H VAL A 35 -2.992 6.624 -2.645 1.00 0.00 H new ATOM 0 HA VAL A 35 -4.615 6.066 -5.084 1.00 0.00 H new ATOM 0 HB VAL A 35 -1.876 5.008 -4.431 1.00 0.00 H new ATOM 0 HG11 VAL A 35 -1.956 4.170 -6.753 1.00 0.00 H new ATOM 0 HG12 VAL A 35 -3.254 3.480 -5.750 1.00 0.00 H new ATOM 0 HG13 VAL A 35 -3.620 4.781 -6.908 1.00 0.00 H new ATOM 0 HG21 VAL A 35 -1.067 6.428 -6.281 1.00 0.00 H new ATOM 0 HG22 VAL A 35 -2.681 7.167 -6.410 1.00 0.00 H new ATOM 0 HG23 VAL A 35 -1.714 7.393 -4.934 1.00 0.00 H new ATOM 515 N TYR A 36 -5.588 4.118 -4.026 1.00 0.00 N ATOM 516 CA TYR A 36 -6.240 2.986 -3.390 1.00 0.00 C ATOM 517 C TYR A 36 -5.494 1.684 -3.689 1.00 0.00 C ATOM 518 O TYR A 36 -5.482 1.219 -4.827 1.00 0.00 O ATOM 519 CB TYR A 36 -7.641 2.909 -4.000 1.00 0.00 C ATOM 520 CG TYR A 36 -8.577 1.932 -3.288 1.00 0.00 C ATOM 521 CD1 TYR A 36 -9.088 2.247 -2.045 1.00 0.00 C ATOM 522 CD2 TYR A 36 -8.911 0.734 -3.887 1.00 0.00 C ATOM 523 CE1 TYR A 36 -9.970 1.327 -1.374 1.00 0.00 C ATOM 524 CE2 TYR A 36 -9.792 -0.186 -3.216 1.00 0.00 C ATOM 525 CZ TYR A 36 -10.278 0.156 -1.993 1.00 0.00 C ATOM 526 OH TYR A 36 -11.111 -0.713 -1.359 1.00 0.00 O ATOM 0 H TYR A 36 -6.092 4.509 -4.822 1.00 0.00 H new ATOM 0 HA TYR A 36 -6.262 3.114 -2.308 1.00 0.00 H new ATOM 0 HB2 TYR A 36 -8.089 3.903 -3.983 1.00 0.00 H new ATOM 0 HB3 TYR A 36 -7.555 2.616 -5.046 1.00 0.00 H new ATOM 0 HD1 TYR A 36 -8.826 3.184 -1.575 1.00 0.00 H new ATOM 0 HD2 TYR A 36 -8.511 0.487 -4.859 1.00 0.00 H new ATOM 0 HE1 TYR A 36 -10.377 1.562 -0.402 1.00 0.00 H new ATOM 0 HE2 TYR A 36 -10.061 -1.127 -3.674 1.00 0.00 H new ATOM 0 HH TYR A 36 -11.320 -1.461 -1.957 1.00 0.00 H new ATOM 536 N CYS A 37 -4.889 1.134 -2.647 1.00 0.00 N ATOM 537 CA CYS A 37 -4.142 -0.105 -2.783 1.00 0.00 C ATOM 538 C CYS A 37 -5.140 -1.263 -2.850 1.00 0.00 C ATOM 539 O CYS A 37 -6.003 -1.394 -1.983 1.00 0.00 O ATOM 540 CB CYS A 37 -3.133 -0.286 -1.647 1.00 0.00 C ATOM 541 SG CYS A 37 -1.430 -0.273 -2.315 1.00 0.00 S ATOM 0 H CYS A 37 -4.901 1.524 -1.704 1.00 0.00 H new ATOM 0 HA CYS A 37 -3.555 -0.079 -3.701 1.00 0.00 H new ATOM 0 HB2 CYS A 37 -3.251 0.512 -0.914 1.00 0.00 H new ATOM 0 HB3 CYS A 37 -3.322 -1.226 -1.128 1.00 0.00 H new ATOM 0 HG CYS A 37 -0.777 0.735 -1.818 1.00 0.00 H new ATOM 547 N VAL A 38 -4.990 -2.073 -3.888 1.00 0.00 N ATOM 548 CA VAL A 38 -5.868 -3.215 -4.079 1.00 0.00 C ATOM 549 C VAL A 38 -5.026 -4.490 -4.163 1.00 0.00 C ATOM 550 O VAL A 38 -4.378 -4.744 -5.177 1.00 0.00 O ATOM 551 CB VAL A 38 -6.749 -2.997 -5.310 1.00 0.00 C ATOM 552 CG1 VAL A 38 -7.482 -4.285 -5.694 1.00 0.00 C ATOM 553 CG2 VAL A 38 -7.737 -1.852 -5.082 1.00 0.00 C ATOM 0 H VAL A 38 -4.274 -1.961 -4.605 1.00 0.00 H new ATOM 0 HA VAL A 38 -6.542 -3.326 -3.230 1.00 0.00 H new ATOM 0 HB VAL A 38 -6.101 -2.719 -6.141 1.00 0.00 H new ATOM 0 HG11 VAL A 38 -8.102 -4.103 -6.572 1.00 0.00 H new ATOM 0 HG12 VAL A 38 -6.754 -5.065 -5.919 1.00 0.00 H new ATOM 0 HG13 VAL A 38 -8.113 -4.606 -4.865 1.00 0.00 H new ATOM 0 HG21 VAL A 38 -8.351 -1.718 -5.973 1.00 0.00 H new ATOM 0 HG22 VAL A 38 -8.377 -2.088 -4.232 1.00 0.00 H new ATOM 0 HG23 VAL A 38 -7.188 -0.933 -4.879 1.00 0.00 H new ATOM 563 N LEU A 39 -5.065 -5.259 -3.085 1.00 0.00 N ATOM 564 CA LEU A 39 -4.314 -6.502 -3.025 1.00 0.00 C ATOM 565 C LEU A 39 -5.251 -7.674 -3.324 1.00 0.00 C ATOM 566 O LEU A 39 -6.421 -7.650 -2.945 1.00 0.00 O ATOM 567 CB LEU A 39 -3.586 -6.623 -1.685 1.00 0.00 C ATOM 568 CG LEU A 39 -2.757 -7.894 -1.484 1.00 0.00 C ATOM 569 CD1 LEU A 39 -1.305 -7.553 -1.143 1.00 0.00 C ATOM 570 CD2 LEU A 39 -3.395 -8.805 -0.433 1.00 0.00 C ATOM 0 H LEU A 39 -5.605 -5.046 -2.246 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.535 -6.514 -3.787 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -2.927 -5.762 -1.573 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -4.325 -6.565 -0.886 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.746 -8.447 -2.423 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -0.738 -8.474 -1.005 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -0.866 -6.975 -1.956 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -1.275 -6.967 -0.224 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.786 -9.701 -0.310 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -3.458 -8.275 0.518 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -4.396 -9.089 -0.757 1.00 0.00 H new ATOM 582 N ARG A 40 -4.702 -8.671 -4.001 1.00 0.00 N ATOM 583 CA ARG A 40 -5.474 -9.850 -4.355 1.00 0.00 C ATOM 584 C ARG A 40 -4.593 -11.099 -4.297 1.00 0.00 C ATOM 585 O ARG A 40 -3.696 -11.192 -3.461 1.00 0.00 O ATOM 586 CB ARG A 40 -6.068 -9.718 -5.759 1.00 0.00 C ATOM 587 CG ARG A 40 -7.423 -10.422 -5.850 1.00 0.00 C ATOM 588 CD ARG A 40 -8.546 -9.519 -5.334 1.00 0.00 C ATOM 589 NE ARG A 40 -9.768 -10.318 -5.092 1.00 0.00 N ATOM 590 CZ ARG A 40 -10.674 -10.608 -6.036 1.00 0.00 C ATOM 591 NH1 ARG A 40 -10.501 -10.167 -7.289 1.00 0.00 N ATOM 592 NH2 ARG A 40 -11.753 -11.340 -5.726 1.00 0.00 N ATOM 0 H ARG A 40 -3.731 -8.687 -4.314 1.00 0.00 H new ATOM 0 HA ARG A 40 -6.288 -9.942 -3.635 1.00 0.00 H new ATOM 0 HB2 ARG A 40 -6.184 -8.664 -6.011 1.00 0.00 H new ATOM 0 HB3 ARG A 40 -5.382 -10.146 -6.490 1.00 0.00 H new ATOM 0 HG2 ARG A 40 -7.623 -10.702 -6.884 1.00 0.00 H new ATOM 0 HG3 ARG A 40 -7.397 -11.344 -5.270 1.00 0.00 H new ATOM 0 HD2 ARG A 40 -8.234 -9.028 -4.412 1.00 0.00 H new ATOM 0 HD3 ARG A 40 -8.754 -8.733 -6.060 1.00 0.00 H new ATOM 0 HE ARG A 40 -9.931 -10.670 -4.148 1.00 0.00 H new ATOM 0 HH11 ARG A 40 -9.679 -9.610 -7.525 1.00 0.00 H new ATOM 0 HH12 ARG A 40 -11.191 -10.388 -8.007 1.00 0.00 H new ATOM 0 HH21 ARG A 40 -11.884 -11.676 -4.772 1.00 0.00 H new ATOM 0 HH22 ARG A 40 -12.443 -11.561 -6.444 1.00 0.00 H new ATOM 606 N ARG A 41 -4.879 -12.029 -5.197 1.00 0.00 N ATOM 607 CA ARG A 41 -4.123 -13.268 -5.259 1.00 0.00 C ATOM 608 C ARG A 41 -2.677 -12.989 -5.674 1.00 0.00 C ATOM 609 O ARG A 41 -2.251 -13.386 -6.757 1.00 0.00 O ATOM 610 CB ARG A 41 -4.752 -14.247 -6.252 1.00 0.00 C ATOM 611 CG ARG A 41 -6.208 -14.541 -5.886 1.00 0.00 C ATOM 612 CD ARG A 41 -6.293 -15.399 -4.622 1.00 0.00 C ATOM 613 NE ARG A 41 -6.135 -16.829 -4.969 1.00 0.00 N ATOM 614 CZ ARG A 41 -4.958 -17.469 -5.000 1.00 0.00 C ATOM 615 NH1 ARG A 41 -3.829 -16.811 -4.705 1.00 0.00 N ATOM 616 NH2 ARG A 41 -4.910 -18.768 -5.326 1.00 0.00 N ATOM 0 H ARG A 41 -5.624 -11.949 -5.889 1.00 0.00 H new ATOM 0 HA ARG A 41 -4.138 -13.716 -4.265 1.00 0.00 H new ATOM 0 HB2 ARG A 41 -4.703 -13.831 -7.258 1.00 0.00 H new ATOM 0 HB3 ARG A 41 -4.182 -15.176 -6.263 1.00 0.00 H new ATOM 0 HG2 ARG A 41 -6.744 -13.605 -5.731 1.00 0.00 H new ATOM 0 HG3 ARG A 41 -6.698 -15.055 -6.713 1.00 0.00 H new ATOM 0 HD2 ARG A 41 -5.518 -15.100 -3.917 1.00 0.00 H new ATOM 0 HD3 ARG A 41 -7.252 -15.240 -4.128 1.00 0.00 H new ATOM 0 HE ARG A 41 -6.975 -17.361 -5.199 1.00 0.00 H new ATOM 0 HH11 ARG A 41 -3.865 -15.822 -4.457 1.00 0.00 H new ATOM 0 HH12 ARG A 41 -2.933 -17.299 -4.729 1.00 0.00 H new ATOM 0 HH21 ARG A 41 -5.769 -19.270 -5.551 1.00 0.00 H new ATOM 0 HH22 ARG A 41 -4.014 -19.255 -5.350 1.00 0.00 H new ATOM 630 N GLY A 42 -1.963 -12.307 -4.790 1.00 0.00 N ATOM 631 CA GLY A 42 -0.574 -11.970 -5.051 1.00 0.00 C ATOM 632 C GLY A 42 -0.465 -10.892 -6.132 1.00 0.00 C ATOM 633 O GLY A 42 0.278 -11.051 -7.099 1.00 0.00 O ATOM 0 H GLY A 42 -2.320 -11.979 -3.893 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.103 -11.619 -4.133 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.033 -12.862 -5.366 1.00 0.00 H new ATOM 637 N SER A 43 -1.218 -9.820 -5.931 1.00 0.00 N ATOM 638 CA SER A 43 -1.215 -8.717 -6.877 1.00 0.00 C ATOM 639 C SER A 43 -1.745 -7.450 -6.203 1.00 0.00 C ATOM 640 O SER A 43 -2.829 -7.458 -5.622 1.00 0.00 O ATOM 641 CB SER A 43 -2.051 -9.050 -8.114 1.00 0.00 C ATOM 642 OG SER A 43 -3.409 -9.328 -7.782 1.00 0.00 O ATOM 0 H SER A 43 -1.834 -9.692 -5.128 1.00 0.00 H new ATOM 0 HA SER A 43 -0.188 -8.547 -7.201 1.00 0.00 H new ATOM 0 HB2 SER A 43 -2.012 -8.215 -8.813 1.00 0.00 H new ATOM 0 HB3 SER A 43 -1.618 -9.912 -8.623 1.00 0.00 H new ATOM 0 HG SER A 43 -3.619 -8.937 -6.908 1.00 0.00 H new ATOM 648 N LEU A 44 -0.956 -6.390 -6.304 1.00 0.00 N ATOM 649 CA LEU A 44 -1.333 -5.118 -5.712 1.00 0.00 C ATOM 650 C LEU A 44 -1.645 -4.115 -6.824 1.00 0.00 C ATOM 651 O LEU A 44 -0.737 -3.607 -7.480 1.00 0.00 O ATOM 652 CB LEU A 44 -0.253 -4.639 -4.739 1.00 0.00 C ATOM 653 CG LEU A 44 -0.471 -3.256 -4.122 1.00 0.00 C ATOM 654 CD1 LEU A 44 -1.531 -3.307 -3.020 1.00 0.00 C ATOM 655 CD2 LEU A 44 0.848 -2.665 -3.622 1.00 0.00 C ATOM 0 H LEU A 44 -0.058 -6.386 -6.787 1.00 0.00 H new ATOM 0 HA LEU A 44 -2.240 -5.229 -5.118 1.00 0.00 H new ATOM 0 HB2 LEU A 44 -0.171 -5.366 -3.931 1.00 0.00 H new ATOM 0 HB3 LEU A 44 0.703 -4.635 -5.262 1.00 0.00 H new ATOM 0 HG LEU A 44 -0.848 -2.591 -4.899 1.00 0.00 H new ATOM 0 HD11 LEU A 44 -1.666 -2.311 -2.599 1.00 0.00 H new ATOM 0 HD12 LEU A 44 -2.475 -3.655 -3.439 1.00 0.00 H new ATOM 0 HD13 LEU A 44 -1.208 -3.992 -2.236 1.00 0.00 H new ATOM 0 HD21 LEU A 44 0.665 -1.682 -3.188 1.00 0.00 H new ATOM 0 HD22 LEU A 44 1.277 -3.322 -2.865 1.00 0.00 H new ATOM 0 HD23 LEU A 44 1.543 -2.570 -4.456 1.00 0.00 H new ATOM 667 N GLY A 45 -2.933 -3.860 -7.003 1.00 0.00 N ATOM 668 CA GLY A 45 -3.377 -2.927 -8.024 1.00 0.00 C ATOM 669 C GLY A 45 -3.660 -1.549 -7.423 1.00 0.00 C ATOM 670 O GLY A 45 -4.126 -1.446 -6.289 1.00 0.00 O ATOM 0 H GLY A 45 -3.684 -4.284 -6.458 1.00 0.00 H new ATOM 0 HA2 GLY A 45 -2.615 -2.840 -8.798 1.00 0.00 H new ATOM 0 HA3 GLY A 45 -4.277 -3.310 -8.505 1.00 0.00 H new ATOM 674 N PHE A 46 -3.365 -0.524 -8.209 1.00 0.00 N ATOM 675 CA PHE A 46 -3.582 0.844 -7.769 1.00 0.00 C ATOM 676 C PHE A 46 -4.794 1.460 -8.469 1.00 0.00 C ATOM 677 O PHE A 46 -4.980 1.278 -9.671 1.00 0.00 O ATOM 678 CB PHE A 46 -2.331 1.639 -8.147 1.00 0.00 C ATOM 679 CG PHE A 46 -1.033 1.069 -7.569 1.00 0.00 C ATOM 680 CD1 PHE A 46 -0.802 1.128 -6.230 1.00 0.00 C ATOM 681 CD2 PHE A 46 -0.112 0.504 -8.395 1.00 0.00 C ATOM 682 CE1 PHE A 46 0.402 0.599 -5.694 1.00 0.00 C ATOM 683 CE2 PHE A 46 1.092 -0.024 -7.858 1.00 0.00 C ATOM 684 CZ PHE A 46 1.324 0.034 -6.520 1.00 0.00 C ATOM 0 H PHE A 46 -2.977 -0.613 -9.148 1.00 0.00 H new ATOM 0 HA PHE A 46 -3.768 0.864 -6.695 1.00 0.00 H new ATOM 0 HB2 PHE A 46 -2.249 1.673 -9.233 1.00 0.00 H new ATOM 0 HB3 PHE A 46 -2.449 2.667 -7.804 1.00 0.00 H new ATOM 0 HD1 PHE A 46 -1.534 1.577 -5.575 1.00 0.00 H new ATOM 0 HD2 PHE A 46 -0.296 0.457 -9.458 1.00 0.00 H new ATOM 0 HE1 PHE A 46 0.586 0.645 -4.631 1.00 0.00 H new ATOM 0 HE2 PHE A 46 1.824 -0.472 -8.513 1.00 0.00 H new ATOM 0 HZ PHE A 46 2.240 -0.368 -6.113 1.00 0.00 H new ATOM 694 N TYR A 47 -5.588 2.177 -7.687 1.00 0.00 N ATOM 695 CA TYR A 47 -6.778 2.821 -8.218 1.00 0.00 C ATOM 696 C TYR A 47 -7.004 4.182 -7.557 1.00 0.00 C ATOM 697 O TYR A 47 -6.370 4.503 -6.553 1.00 0.00 O ATOM 698 CB TYR A 47 -7.947 1.898 -7.871 1.00 0.00 C ATOM 699 CG TYR A 47 -7.818 0.486 -8.446 1.00 0.00 C ATOM 700 CD1 TYR A 47 -6.873 -0.382 -7.937 1.00 0.00 C ATOM 701 CD2 TYR A 47 -8.645 0.081 -9.474 1.00 0.00 C ATOM 702 CE1 TYR A 47 -6.752 -1.711 -8.479 1.00 0.00 C ATOM 703 CE2 TYR A 47 -8.523 -1.247 -10.015 1.00 0.00 C ATOM 704 CZ TYR A 47 -7.582 -2.078 -9.491 1.00 0.00 C ATOM 705 OH TYR A 47 -7.467 -3.333 -10.003 1.00 0.00 O ATOM 0 H TYR A 47 -5.431 2.326 -6.690 1.00 0.00 H new ATOM 0 HA TYR A 47 -6.680 2.985 -9.291 1.00 0.00 H new ATOM 0 HB2 TYR A 47 -8.034 1.831 -6.787 1.00 0.00 H new ATOM 0 HB3 TYR A 47 -8.871 2.345 -8.238 1.00 0.00 H new ATOM 0 HD1 TYR A 47 -6.225 -0.065 -7.133 1.00 0.00 H new ATOM 0 HD2 TYR A 47 -9.384 0.761 -9.872 1.00 0.00 H new ATOM 0 HE1 TYR A 47 -6.018 -2.401 -8.090 1.00 0.00 H new ATOM 0 HE2 TYR A 47 -9.164 -1.577 -10.819 1.00 0.00 H new ATOM 0 HH TYR A 47 -8.125 -3.456 -10.719 1.00 0.00 H new ATOM 715 N LYS A 48 -7.911 4.947 -8.148 1.00 0.00 N ATOM 716 CA LYS A 48 -8.229 6.267 -7.629 1.00 0.00 C ATOM 717 C LYS A 48 -8.775 6.133 -6.206 1.00 0.00 C ATOM 718 O LYS A 48 -8.247 6.740 -5.275 1.00 0.00 O ATOM 719 CB LYS A 48 -9.172 7.004 -8.582 1.00 0.00 C ATOM 720 CG LYS A 48 -9.525 8.391 -8.041 1.00 0.00 C ATOM 721 CD LYS A 48 -9.569 9.424 -9.169 1.00 0.00 C ATOM 722 CE LYS A 48 -10.958 9.478 -9.808 1.00 0.00 C ATOM 723 NZ LYS A 48 -10.916 10.242 -11.075 1.00 0.00 N ATOM 0 H LYS A 48 -8.435 4.678 -8.981 1.00 0.00 H new ATOM 0 HA LYS A 48 -7.330 6.880 -7.569 1.00 0.00 H new ATOM 0 HB2 LYS A 48 -8.703 7.100 -9.561 1.00 0.00 H new ATOM 0 HB3 LYS A 48 -10.083 6.421 -8.721 1.00 0.00 H new ATOM 0 HG2 LYS A 48 -10.492 8.354 -7.539 1.00 0.00 H new ATOM 0 HG3 LYS A 48 -8.789 8.693 -7.295 1.00 0.00 H new ATOM 0 HD2 LYS A 48 -9.306 10.407 -8.778 1.00 0.00 H new ATOM 0 HD3 LYS A 48 -8.826 9.173 -9.926 1.00 0.00 H new ATOM 0 HE2 LYS A 48 -11.317 8.467 -9.998 1.00 0.00 H new ATOM 0 HE3 LYS A 48 -11.664 9.943 -9.119 1.00 0.00 H new ATOM 0 HZ1 LYS A 48 -11.867 10.269 -11.496 1.00 0.00 H new ATOM 0 HZ2 LYS A 48 -10.594 11.212 -10.885 1.00 0.00 H new ATOM 0 HZ3 LYS A 48 -10.258 9.782 -11.736 1.00 0.00 H new ATOM 737 N ASP A 49 -9.824 5.334 -6.081 1.00 0.00 N ATOM 738 CA ASP A 49 -10.447 5.112 -4.787 1.00 0.00 C ATOM 739 C ASP A 49 -11.163 3.760 -4.795 1.00 0.00 C ATOM 740 O ASP A 49 -11.077 3.014 -5.769 1.00 0.00 O ATOM 741 CB ASP A 49 -11.484 6.195 -4.483 1.00 0.00 C ATOM 742 CG ASP A 49 -12.023 6.938 -5.707 1.00 0.00 C ATOM 743 OD1 ASP A 49 -12.562 6.247 -6.598 1.00 0.00 O ATOM 744 OD2 ASP A 49 -11.883 8.180 -5.724 1.00 0.00 O ATOM 0 H ASP A 49 -10.259 4.832 -6.855 1.00 0.00 H new ATOM 0 HA ASP A 49 -9.666 5.137 -4.028 1.00 0.00 H new ATOM 0 HB2 ASP A 49 -12.322 5.737 -3.957 1.00 0.00 H new ATOM 0 HB3 ASP A 49 -11.039 6.921 -3.803 1.00 0.00 H new ATOM 749 N ALA A 50 -11.854 3.486 -3.699 1.00 0.00 N ATOM 750 CA ALA A 50 -12.585 2.237 -3.568 1.00 0.00 C ATOM 751 C ALA A 50 -13.753 2.228 -4.556 1.00 0.00 C ATOM 752 O ALA A 50 -14.309 1.173 -4.856 1.00 0.00 O ATOM 753 CB ALA A 50 -13.045 2.065 -2.119 1.00 0.00 C ATOM 0 H ALA A 50 -11.923 4.107 -2.893 1.00 0.00 H new ATOM 0 HA ALA A 50 -11.943 1.389 -3.809 1.00 0.00 H new ATOM 0 HB1 ALA A 50 -13.593 1.128 -2.020 1.00 0.00 H new ATOM 0 HB2 ALA A 50 -12.176 2.048 -1.461 1.00 0.00 H new ATOM 0 HB3 ALA A 50 -13.694 2.896 -1.842 1.00 0.00 H new ATOM 759 N LYS A 51 -14.092 3.417 -5.033 1.00 0.00 N ATOM 760 CA LYS A 51 -15.184 3.559 -5.981 1.00 0.00 C ATOM 761 C LYS A 51 -14.665 3.286 -7.394 1.00 0.00 C ATOM 762 O LYS A 51 -15.439 2.947 -8.289 1.00 0.00 O ATOM 763 CB LYS A 51 -15.853 4.926 -5.825 1.00 0.00 C ATOM 764 CG LYS A 51 -16.839 4.923 -4.655 1.00 0.00 C ATOM 765 CD LYS A 51 -18.172 4.292 -5.063 1.00 0.00 C ATOM 766 CE LYS A 51 -19.346 5.008 -4.392 1.00 0.00 C ATOM 767 NZ LYS A 51 -20.002 5.931 -5.346 1.00 0.00 N ATOM 0 H LYS A 51 -13.630 4.291 -4.781 1.00 0.00 H new ATOM 0 HA LYS A 51 -15.963 2.823 -5.779 1.00 0.00 H new ATOM 0 HB2 LYS A 51 -15.093 5.690 -5.663 1.00 0.00 H new ATOM 0 HB3 LYS A 51 -16.376 5.186 -6.745 1.00 0.00 H new ATOM 0 HG2 LYS A 51 -16.413 4.371 -3.817 1.00 0.00 H new ATOM 0 HG3 LYS A 51 -17.006 5.944 -4.313 1.00 0.00 H new ATOM 0 HD2 LYS A 51 -18.284 4.339 -6.146 1.00 0.00 H new ATOM 0 HD3 LYS A 51 -18.179 3.238 -4.787 1.00 0.00 H new ATOM 0 HE2 LYS A 51 -20.068 4.276 -4.030 1.00 0.00 H new ATOM 0 HE3 LYS A 51 -18.993 5.564 -3.523 1.00 0.00 H new ATOM 0 HZ1 LYS A 51 -20.797 6.409 -4.876 1.00 0.00 H new ATOM 0 HZ2 LYS A 51 -19.315 6.640 -5.671 1.00 0.00 H new ATOM 0 HZ3 LYS A 51 -20.356 5.393 -6.162 1.00 0.00 H new ATOM 781 N ALA A 52 -13.359 3.443 -7.552 1.00 0.00 N ATOM 782 CA ALA A 52 -12.729 3.217 -8.842 1.00 0.00 C ATOM 783 C ALA A 52 -12.287 1.755 -8.940 1.00 0.00 C ATOM 784 O ALA A 52 -12.186 1.206 -10.035 1.00 0.00 O ATOM 785 CB ALA A 52 -11.562 4.191 -9.017 1.00 0.00 C ATOM 0 H ALA A 52 -12.720 3.724 -6.808 1.00 0.00 H new ATOM 0 HA ALA A 52 -13.435 3.403 -9.652 1.00 0.00 H new ATOM 0 HB1 ALA A 52 -11.089 4.022 -9.984 1.00 0.00 H new ATOM 0 HB2 ALA A 52 -11.932 5.215 -8.968 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -10.832 4.031 -8.223 1.00 0.00 H new ATOM 791 N ALA A 53 -12.036 1.167 -7.779 1.00 0.00 N ATOM 792 CA ALA A 53 -11.607 -0.220 -7.720 1.00 0.00 C ATOM 793 C ALA A 53 -12.796 -1.130 -8.034 1.00 0.00 C ATOM 794 O ALA A 53 -12.657 -2.110 -8.764 1.00 0.00 O ATOM 795 CB ALA A 53 -10.999 -0.509 -6.347 1.00 0.00 C ATOM 0 H ALA A 53 -12.122 1.626 -6.872 1.00 0.00 H new ATOM 0 HA ALA A 53 -10.836 -0.415 -8.465 1.00 0.00 H new ATOM 0 HB1 ALA A 53 -10.677 -1.550 -6.303 1.00 0.00 H new ATOM 0 HB2 ALA A 53 -10.141 0.143 -6.184 1.00 0.00 H new ATOM 0 HB3 ALA A 53 -11.745 -0.327 -5.573 1.00 0.00 H new ATOM 801 N SER A 54 -13.940 -0.773 -7.468 1.00 0.00 N ATOM 802 CA SER A 54 -15.152 -1.546 -7.678 1.00 0.00 C ATOM 803 C SER A 54 -15.583 -1.455 -9.144 1.00 0.00 C ATOM 804 O SER A 54 -16.030 -2.443 -9.725 1.00 0.00 O ATOM 805 CB SER A 54 -16.279 -1.062 -6.763 1.00 0.00 C ATOM 806 OG SER A 54 -17.136 -2.128 -6.362 1.00 0.00 O ATOM 0 H SER A 54 -14.053 0.041 -6.864 1.00 0.00 H new ATOM 0 HA SER A 54 -14.941 -2.587 -7.431 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.851 -0.589 -5.879 1.00 0.00 H new ATOM 0 HB3 SER A 54 -16.864 -0.301 -7.280 1.00 0.00 H new ATOM 0 HG SER A 54 -17.841 -1.779 -5.778 1.00 0.00 H new ATOM 812 N ALA A 55 -15.432 -0.262 -9.699 1.00 0.00 N ATOM 813 CA ALA A 55 -15.799 -0.030 -11.085 1.00 0.00 C ATOM 814 C ALA A 55 -14.712 -0.600 -11.999 1.00 0.00 C ATOM 815 O ALA A 55 -14.853 -0.585 -13.221 1.00 0.00 O ATOM 816 CB ALA A 55 -16.025 1.467 -11.310 1.00 0.00 C ATOM 0 H ALA A 55 -15.060 0.555 -9.214 1.00 0.00 H new ATOM 0 HA ALA A 55 -16.732 -0.540 -11.325 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -16.300 1.641 -12.350 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -16.827 1.816 -10.659 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -15.109 2.012 -11.081 1.00 0.00 H new ATOM 822 N GLY A 56 -13.653 -1.088 -11.371 1.00 0.00 N ATOM 823 CA GLY A 56 -12.542 -1.662 -12.112 1.00 0.00 C ATOM 824 C GLY A 56 -11.830 -0.595 -12.946 1.00 0.00 C ATOM 825 O GLY A 56 -11.268 -0.897 -13.998 1.00 0.00 O ATOM 0 H GLY A 56 -13.540 -1.098 -10.357 1.00 0.00 H new ATOM 0 HA2 GLY A 56 -11.835 -2.119 -11.419 1.00 0.00 H new ATOM 0 HA3 GLY A 56 -12.907 -2.455 -12.764 1.00 0.00 H new ATOM 829 N VAL A 57 -11.878 0.631 -12.446 1.00 0.00 N ATOM 830 CA VAL A 57 -11.245 1.745 -13.132 1.00 0.00 C ATOM 831 C VAL A 57 -9.859 1.987 -12.531 1.00 0.00 C ATOM 832 O VAL A 57 -9.739 2.328 -11.355 1.00 0.00 O ATOM 833 CB VAL A 57 -12.147 2.979 -13.070 1.00 0.00 C ATOM 834 CG1 VAL A 57 -11.538 4.143 -13.855 1.00 0.00 C ATOM 835 CG2 VAL A 57 -13.555 2.655 -13.575 1.00 0.00 C ATOM 0 H VAL A 57 -12.346 0.878 -11.574 1.00 0.00 H new ATOM 0 HA VAL A 57 -11.106 1.514 -14.188 1.00 0.00 H new ATOM 0 HB VAL A 57 -12.227 3.283 -12.026 1.00 0.00 H new ATOM 0 HG11 VAL A 57 -12.199 5.008 -13.795 1.00 0.00 H new ATOM 0 HG12 VAL A 57 -10.567 4.399 -13.432 1.00 0.00 H new ATOM 0 HG13 VAL A 57 -11.414 3.853 -14.898 1.00 0.00 H new ATOM 0 HG21 VAL A 57 -14.176 3.549 -13.520 1.00 0.00 H new ATOM 0 HG22 VAL A 57 -13.501 2.313 -14.609 1.00 0.00 H new ATOM 0 HG23 VAL A 57 -13.992 1.871 -12.956 1.00 0.00 H new ATOM 845 N PRO A 58 -8.820 1.796 -13.387 1.00 0.00 N ATOM 846 CA PRO A 58 -7.447 1.990 -12.953 1.00 0.00 C ATOM 847 C PRO A 58 -7.116 3.478 -12.829 1.00 0.00 C ATOM 848 O PRO A 58 -7.546 4.284 -13.653 1.00 0.00 O ATOM 849 CB PRO A 58 -6.600 1.278 -13.995 1.00 0.00 C ATOM 850 CG PRO A 58 -7.492 1.112 -15.215 1.00 0.00 C ATOM 851 CD PRO A 58 -8.924 1.392 -14.786 1.00 0.00 C ATOM 0 HA PRO A 58 -7.259 1.582 -11.960 1.00 0.00 H new ATOM 0 HB2 PRO A 58 -5.710 1.859 -14.238 1.00 0.00 H new ATOM 0 HB3 PRO A 58 -6.259 0.311 -13.626 1.00 0.00 H new ATOM 0 HG2 PRO A 58 -7.189 1.798 -16.006 1.00 0.00 H new ATOM 0 HG3 PRO A 58 -7.404 0.103 -15.618 1.00 0.00 H new ATOM 0 HD2 PRO A 58 -9.372 2.179 -15.393 1.00 0.00 H new ATOM 0 HD3 PRO A 58 -9.551 0.507 -14.897 1.00 0.00 H new ATOM 859 N TYR A 59 -6.355 3.798 -11.793 1.00 0.00 N ATOM 860 CA TYR A 59 -5.962 5.176 -11.550 1.00 0.00 C ATOM 861 C TYR A 59 -5.546 5.865 -12.851 1.00 0.00 C ATOM 862 O TYR A 59 -6.196 6.812 -13.292 1.00 0.00 O ATOM 863 CB TYR A 59 -4.754 5.111 -10.613 1.00 0.00 C ATOM 864 CG TYR A 59 -4.352 6.463 -10.021 1.00 0.00 C ATOM 865 CD1 TYR A 59 -5.302 7.261 -9.416 1.00 0.00 C ATOM 866 CD2 TYR A 59 -3.040 6.885 -10.091 1.00 0.00 C ATOM 867 CE1 TYR A 59 -4.924 8.533 -8.858 1.00 0.00 C ATOM 868 CE2 TYR A 59 -2.662 8.158 -9.533 1.00 0.00 C ATOM 869 CZ TYR A 59 -3.623 8.919 -8.944 1.00 0.00 C ATOM 870 OH TYR A 59 -3.266 10.121 -8.418 1.00 0.00 O ATOM 0 H TYR A 59 -6.000 3.127 -11.112 1.00 0.00 H new ATOM 0 HA TYR A 59 -6.791 5.742 -11.125 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -4.975 4.421 -9.799 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -3.906 4.698 -11.159 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -6.329 6.931 -9.361 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -2.297 6.261 -10.564 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -5.657 9.167 -8.382 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -1.639 8.500 -9.581 1.00 0.00 H new ATOM 0 HH TYR A 59 -2.312 10.279 -8.580 1.00 0.00 H new ATOM 880 N HIS A 60 -4.465 5.363 -13.430 1.00 0.00 N ATOM 881 CA HIS A 60 -3.955 5.918 -14.673 1.00 0.00 C ATOM 882 C HIS A 60 -3.740 4.793 -15.687 1.00 0.00 C ATOM 883 O HIS A 60 -3.219 5.026 -16.777 1.00 0.00 O ATOM 884 CB HIS A 60 -2.690 6.740 -14.421 1.00 0.00 C ATOM 885 CG HIS A 60 -2.948 8.090 -13.797 1.00 0.00 C ATOM 886 ND1 HIS A 60 -3.715 8.445 -12.727 1.00 0.00 N flip ATOM 887 CD2 HIS A 60 -2.385 9.259 -14.279 1.00 0.00 C flip ATOM 888 CE1 HIS A 60 -3.624 9.759 -12.562 1.00 0.00 C flip ATOM 889 NE2 HIS A 60 -2.800 10.266 -13.524 1.00 0.00 N flip ATOM 0 H HIS A 60 -3.928 4.578 -13.062 1.00 0.00 H new ATOM 0 HA HIS A 60 -4.687 6.606 -15.097 1.00 0.00 H new ATOM 0 HB2 HIS A 60 -2.024 6.172 -13.771 1.00 0.00 H new ATOM 0 HB3 HIS A 60 -2.167 6.882 -15.367 1.00 0.00 H new ATOM 0 HD2 HIS A 60 -1.720 9.337 -15.127 1.00 0.00 H new ATOM 0 HE1 HIS A 60 -4.120 10.332 -11.793 1.00 0.00 H new ATOM 0 HE2 HIS A 60 -2.548 11.247 -13.641 1.00 0.00 H new ATOM 897 N GLY A 61 -4.153 3.597 -15.293 1.00 0.00 N ATOM 898 CA GLY A 61 -4.012 2.436 -16.155 1.00 0.00 C ATOM 899 C GLY A 61 -2.763 1.631 -15.790 1.00 0.00 C ATOM 900 O GLY A 61 -2.395 0.694 -16.497 1.00 0.00 O ATOM 0 H GLY A 61 -4.585 3.407 -14.389 1.00 0.00 H new ATOM 0 HA2 GLY A 61 -4.895 1.804 -16.067 1.00 0.00 H new ATOM 0 HA3 GLY A 61 -3.952 2.756 -17.195 1.00 0.00 H new ATOM 904 N GLU A 62 -2.145 2.026 -14.687 1.00 0.00 N ATOM 905 CA GLU A 62 -0.945 1.353 -14.219 1.00 0.00 C ATOM 906 C GLU A 62 -1.289 -0.043 -13.694 1.00 0.00 C ATOM 907 O GLU A 62 -1.768 -0.186 -12.570 1.00 0.00 O ATOM 908 CB GLU A 62 -0.234 2.181 -13.148 1.00 0.00 C ATOM 909 CG GLU A 62 0.533 3.347 -13.776 1.00 0.00 C ATOM 910 CD GLU A 62 1.307 4.130 -12.714 1.00 0.00 C ATOM 911 OE1 GLU A 62 1.735 3.485 -11.733 1.00 0.00 O ATOM 912 OE2 GLU A 62 1.452 5.357 -12.906 1.00 0.00 O ATOM 0 H GLU A 62 -2.453 2.804 -14.103 1.00 0.00 H new ATOM 0 HA GLU A 62 -0.261 1.245 -15.061 1.00 0.00 H new ATOM 0 HB2 GLU A 62 -0.964 2.563 -12.435 1.00 0.00 H new ATOM 0 HB3 GLU A 62 0.455 1.546 -12.590 1.00 0.00 H new ATOM 0 HG2 GLU A 62 1.224 2.969 -14.529 1.00 0.00 H new ATOM 0 HG3 GLU A 62 -0.163 4.012 -14.287 1.00 0.00 H new ATOM 919 N VAL A 63 -1.032 -1.036 -14.533 1.00 0.00 N ATOM 920 CA VAL A 63 -1.309 -2.414 -14.167 1.00 0.00 C ATOM 921 C VAL A 63 -0.860 -2.655 -12.724 1.00 0.00 C ATOM 922 O VAL A 63 -0.147 -1.836 -12.148 1.00 0.00 O ATOM 923 CB VAL A 63 -0.644 -3.364 -15.166 1.00 0.00 C ATOM 924 CG1 VAL A 63 -1.642 -3.830 -16.227 1.00 0.00 C ATOM 925 CG2 VAL A 63 0.579 -2.711 -15.813 1.00 0.00 C ATOM 0 H VAL A 63 -0.635 -0.913 -15.465 1.00 0.00 H new ATOM 0 HA VAL A 63 -2.380 -2.613 -14.212 1.00 0.00 H new ATOM 0 HB VAL A 63 -0.304 -4.242 -14.617 1.00 0.00 H new ATOM 0 HG11 VAL A 63 -1.144 -4.504 -16.924 1.00 0.00 H new ATOM 0 HG12 VAL A 63 -2.468 -4.353 -15.745 1.00 0.00 H new ATOM 0 HG13 VAL A 63 -2.026 -2.966 -16.769 1.00 0.00 H new ATOM 0 HG21 VAL A 63 1.033 -3.407 -16.518 1.00 0.00 H new ATOM 0 HG22 VAL A 63 0.273 -1.808 -16.341 1.00 0.00 H new ATOM 0 HG23 VAL A 63 1.304 -2.452 -15.041 1.00 0.00 H new ATOM 935 N PRO A 64 -1.309 -3.812 -12.168 1.00 0.00 N ATOM 936 CA PRO A 64 -0.962 -4.170 -10.803 1.00 0.00 C ATOM 937 C PRO A 64 0.488 -4.650 -10.715 1.00 0.00 C ATOM 938 O PRO A 64 1.098 -4.986 -11.729 1.00 0.00 O ATOM 939 CB PRO A 64 -1.967 -5.241 -10.410 1.00 0.00 C ATOM 940 CG PRO A 64 -2.541 -5.773 -11.713 1.00 0.00 C ATOM 941 CD PRO A 64 -2.156 -4.806 -12.821 1.00 0.00 C ATOM 0 HA PRO A 64 -1.015 -3.323 -10.119 1.00 0.00 H new ATOM 0 HB2 PRO A 64 -1.487 -6.037 -9.841 1.00 0.00 H new ATOM 0 HB3 PRO A 64 -2.752 -4.826 -9.778 1.00 0.00 H new ATOM 0 HG2 PRO A 64 -2.151 -6.769 -11.923 1.00 0.00 H new ATOM 0 HG3 PRO A 64 -3.625 -5.863 -11.644 1.00 0.00 H new ATOM 0 HD2 PRO A 64 -1.622 -5.315 -13.623 1.00 0.00 H new ATOM 0 HD3 PRO A 64 -3.037 -4.344 -13.267 1.00 0.00 H new ATOM 949 N VAL A 65 0.998 -4.666 -9.492 1.00 0.00 N ATOM 950 CA VAL A 65 2.365 -5.099 -9.257 1.00 0.00 C ATOM 951 C VAL A 65 2.353 -6.473 -8.585 1.00 0.00 C ATOM 952 O VAL A 65 1.758 -6.643 -7.522 1.00 0.00 O ATOM 953 CB VAL A 65 3.116 -4.043 -8.444 1.00 0.00 C ATOM 954 CG1 VAL A 65 3.319 -2.764 -9.260 1.00 0.00 C ATOM 955 CG2 VAL A 65 2.392 -3.745 -7.130 1.00 0.00 C ATOM 0 H VAL A 65 0.489 -4.386 -8.654 1.00 0.00 H new ATOM 0 HA VAL A 65 2.899 -5.204 -10.201 1.00 0.00 H new ATOM 0 HB VAL A 65 4.099 -4.445 -8.201 1.00 0.00 H new ATOM 0 HG11 VAL A 65 3.855 -2.030 -8.659 1.00 0.00 H new ATOM 0 HG12 VAL A 65 3.897 -2.992 -10.155 1.00 0.00 H new ATOM 0 HG13 VAL A 65 2.349 -2.358 -9.548 1.00 0.00 H new ATOM 0 HG21 VAL A 65 2.947 -2.991 -6.572 1.00 0.00 H new ATOM 0 HG22 VAL A 65 1.390 -3.374 -7.343 1.00 0.00 H new ATOM 0 HG23 VAL A 65 2.323 -4.657 -6.538 1.00 0.00 H new ATOM 965 N SER A 66 3.016 -7.420 -9.234 1.00 0.00 N ATOM 966 CA SER A 66 3.088 -8.774 -8.712 1.00 0.00 C ATOM 967 C SER A 66 3.724 -8.765 -7.320 1.00 0.00 C ATOM 968 O SER A 66 4.716 -8.075 -7.091 1.00 0.00 O ATOM 969 CB SER A 66 3.880 -9.685 -9.652 1.00 0.00 C ATOM 970 OG SER A 66 4.211 -10.927 -9.038 1.00 0.00 O ATOM 0 H SER A 66 3.508 -7.276 -10.116 1.00 0.00 H new ATOM 0 HA SER A 66 2.074 -9.167 -8.638 1.00 0.00 H new ATOM 0 HB2 SER A 66 3.297 -9.871 -10.554 1.00 0.00 H new ATOM 0 HB3 SER A 66 4.794 -9.179 -9.962 1.00 0.00 H new ATOM 0 HG SER A 66 4.715 -11.481 -9.671 1.00 0.00 H new ATOM 976 N LEU A 67 3.127 -9.540 -6.427 1.00 0.00 N ATOM 977 CA LEU A 67 3.622 -9.631 -5.064 1.00 0.00 C ATOM 978 C LEU A 67 4.361 -10.958 -4.881 1.00 0.00 C ATOM 979 O LEU A 67 4.092 -11.697 -3.935 1.00 0.00 O ATOM 980 CB LEU A 67 2.484 -9.418 -4.065 1.00 0.00 C ATOM 981 CG LEU A 67 1.848 -8.026 -4.058 1.00 0.00 C ATOM 982 CD1 LEU A 67 0.585 -8.004 -3.196 1.00 0.00 C ATOM 983 CD2 LEU A 67 2.859 -6.964 -3.621 1.00 0.00 C ATOM 0 H LEU A 67 2.304 -10.111 -6.621 1.00 0.00 H new ATOM 0 HA LEU A 67 4.341 -8.836 -4.867 1.00 0.00 H new ATOM 0 HB2 LEU A 67 1.704 -10.151 -4.272 1.00 0.00 H new ATOM 0 HB3 LEU A 67 2.862 -9.628 -3.064 1.00 0.00 H new ATOM 0 HG LEU A 67 1.546 -7.784 -5.077 1.00 0.00 H new ATOM 0 HD11 LEU A 67 0.153 -7.003 -3.209 1.00 0.00 H new ATOM 0 HD12 LEU A 67 -0.139 -8.716 -3.592 1.00 0.00 H new ATOM 0 HD13 LEU A 67 0.839 -8.277 -2.172 1.00 0.00 H new ATOM 0 HD21 LEU A 67 2.382 -5.984 -3.625 1.00 0.00 H new ATOM 0 HD22 LEU A 67 3.214 -7.191 -2.616 1.00 0.00 H new ATOM 0 HD23 LEU A 67 3.703 -6.959 -4.311 1.00 0.00 H new ATOM 995 N ALA A 68 5.276 -11.221 -5.803 1.00 0.00 N ATOM 996 CA ALA A 68 6.055 -12.447 -5.755 1.00 0.00 C ATOM 997 C ALA A 68 6.800 -12.521 -4.421 1.00 0.00 C ATOM 998 O ALA A 68 6.180 -12.632 -3.365 1.00 0.00 O ATOM 999 CB ALA A 68 7.002 -12.497 -6.956 1.00 0.00 C ATOM 0 H ALA A 68 5.495 -10.606 -6.587 1.00 0.00 H new ATOM 0 HA ALA A 68 5.404 -13.319 -5.817 1.00 0.00 H new ATOM 0 HB1 ALA A 68 7.587 -13.416 -6.920 1.00 0.00 H new ATOM 0 HB2 ALA A 68 6.422 -12.471 -7.878 1.00 0.00 H new ATOM 0 HB3 ALA A 68 7.673 -11.639 -6.926 1.00 0.00 H new ATOM 1005 N ARG A 69 8.120 -12.458 -4.513 1.00 0.00 N ATOM 1006 CA ARG A 69 8.957 -12.516 -3.326 1.00 0.00 C ATOM 1007 C ARG A 69 9.095 -11.125 -2.705 1.00 0.00 C ATOM 1008 O ARG A 69 9.967 -10.899 -1.867 1.00 0.00 O ATOM 1009 CB ARG A 69 10.348 -13.059 -3.659 1.00 0.00 C ATOM 1010 CG ARG A 69 10.252 -14.361 -4.457 1.00 0.00 C ATOM 1011 CD ARG A 69 10.519 -15.574 -3.563 1.00 0.00 C ATOM 1012 NE ARG A 69 11.221 -16.625 -4.333 1.00 0.00 N ATOM 1013 CZ ARG A 69 11.242 -17.920 -3.989 1.00 0.00 C ATOM 1014 NH1 ARG A 69 10.600 -18.331 -2.887 1.00 0.00 N ATOM 1015 NH2 ARG A 69 11.904 -18.804 -4.748 1.00 0.00 N ATOM 0 H ARG A 69 8.631 -12.367 -5.391 1.00 0.00 H new ATOM 0 HA ARG A 69 8.478 -13.189 -2.615 1.00 0.00 H new ATOM 0 HB2 ARG A 69 10.904 -12.317 -4.232 1.00 0.00 H new ATOM 0 HB3 ARG A 69 10.904 -13.233 -2.738 1.00 0.00 H new ATOM 0 HG2 ARG A 69 9.261 -14.445 -4.904 1.00 0.00 H new ATOM 0 HG3 ARG A 69 10.971 -14.343 -5.276 1.00 0.00 H new ATOM 0 HD2 ARG A 69 11.121 -15.278 -2.704 1.00 0.00 H new ATOM 0 HD3 ARG A 69 9.578 -15.964 -3.174 1.00 0.00 H new ATOM 0 HE ARG A 69 11.720 -16.346 -5.178 1.00 0.00 H new ATOM 0 HH11 ARG A 69 10.095 -17.658 -2.310 1.00 0.00 H new ATOM 0 HH12 ARG A 69 10.616 -19.317 -2.625 1.00 0.00 H new ATOM 0 HH21 ARG A 69 12.392 -18.491 -5.587 1.00 0.00 H new ATOM 0 HH22 ARG A 69 11.920 -19.790 -4.486 1.00 0.00 H new ATOM 1029 N ALA A 70 8.223 -10.228 -3.141 1.00 0.00 N ATOM 1030 CA ALA A 70 8.237 -8.865 -2.638 1.00 0.00 C ATOM 1031 C ALA A 70 8.419 -8.888 -1.119 1.00 0.00 C ATOM 1032 O ALA A 70 8.256 -9.930 -0.486 1.00 0.00 O ATOM 1033 CB ALA A 70 6.950 -8.152 -3.060 1.00 0.00 C ATOM 0 H ALA A 70 7.502 -10.418 -3.837 1.00 0.00 H new ATOM 0 HA ALA A 70 9.073 -8.308 -3.062 1.00 0.00 H new ATOM 0 HB1 ALA A 70 6.960 -7.129 -2.683 1.00 0.00 H new ATOM 0 HB2 ALA A 70 6.882 -8.137 -4.148 1.00 0.00 H new ATOM 0 HB3 ALA A 70 6.090 -8.681 -2.650 1.00 0.00 H new ATOM 1039 N GLN A 71 8.756 -7.726 -0.578 1.00 0.00 N ATOM 1040 CA GLN A 71 8.963 -7.600 0.855 1.00 0.00 C ATOM 1041 C GLN A 71 8.043 -6.521 1.431 1.00 0.00 C ATOM 1042 O GLN A 71 7.749 -5.531 0.763 1.00 0.00 O ATOM 1043 CB GLN A 71 10.428 -7.298 1.173 1.00 0.00 C ATOM 1044 CG GLN A 71 10.789 -5.863 0.785 1.00 0.00 C ATOM 1045 CD GLN A 71 12.017 -5.378 1.560 1.00 0.00 C ATOM 1046 OE1 GLN A 71 12.781 -6.153 2.111 1.00 0.00 O ATOM 1047 NE2 GLN A 71 12.162 -4.056 1.571 1.00 0.00 N ATOM 0 H GLN A 71 8.891 -6.864 -1.106 1.00 0.00 H new ATOM 0 HA GLN A 71 8.713 -8.552 1.324 1.00 0.00 H new ATOM 0 HB2 GLN A 71 10.611 -7.448 2.237 1.00 0.00 H new ATOM 0 HB3 GLN A 71 11.071 -7.996 0.637 1.00 0.00 H new ATOM 0 HG2 GLN A 71 10.986 -5.811 -0.286 1.00 0.00 H new ATOM 0 HG3 GLN A 71 9.944 -5.204 0.986 1.00 0.00 H new ATOM 0 HE21 GLN A 71 11.485 -3.465 1.089 1.00 0.00 H new ATOM 0 HE22 GLN A 71 12.950 -3.633 2.062 1.00 0.00 H new ATOM 1056 N GLY A 72 7.616 -6.749 2.664 1.00 0.00 N ATOM 1057 CA GLY A 72 6.736 -5.809 3.337 1.00 0.00 C ATOM 1058 C GLY A 72 7.214 -5.537 4.765 1.00 0.00 C ATOM 1059 O GLY A 72 7.111 -6.403 5.633 1.00 0.00 O ATOM 0 H GLY A 72 7.863 -7.571 3.215 1.00 0.00 H new ATOM 0 HA2 GLY A 72 6.700 -4.874 2.777 1.00 0.00 H new ATOM 0 HA3 GLY A 72 5.721 -6.207 3.359 1.00 0.00 H new ATOM 1063 N SER A 73 7.726 -4.332 4.965 1.00 0.00 N ATOM 1064 CA SER A 73 8.219 -3.935 6.273 1.00 0.00 C ATOM 1065 C SER A 73 7.673 -2.555 6.642 1.00 0.00 C ATOM 1066 O SER A 73 7.244 -1.800 5.771 1.00 0.00 O ATOM 1067 CB SER A 73 9.749 -3.927 6.305 1.00 0.00 C ATOM 1068 OG SER A 73 10.256 -4.169 7.614 1.00 0.00 O ATOM 0 H SER A 73 7.810 -3.617 4.243 1.00 0.00 H new ATOM 0 HA SER A 73 7.871 -4.663 7.005 1.00 0.00 H new ATOM 0 HB2 SER A 73 10.130 -4.687 5.622 1.00 0.00 H new ATOM 0 HB3 SER A 73 10.114 -2.964 5.947 1.00 0.00 H new ATOM 0 HG SER A 73 11.236 -4.158 7.593 1.00 0.00 H new ATOM 1074 N VAL A 74 7.705 -2.267 7.935 1.00 0.00 N ATOM 1075 CA VAL A 74 7.219 -0.990 8.430 1.00 0.00 C ATOM 1076 C VAL A 74 8.231 0.104 8.086 1.00 0.00 C ATOM 1077 O VAL A 74 9.419 -0.171 7.926 1.00 0.00 O ATOM 1078 CB VAL A 74 6.929 -1.087 9.929 1.00 0.00 C ATOM 1079 CG1 VAL A 74 6.689 0.299 10.531 1.00 0.00 C ATOM 1080 CG2 VAL A 74 5.743 -2.015 10.200 1.00 0.00 C ATOM 0 H VAL A 74 8.060 -2.896 8.655 1.00 0.00 H new ATOM 0 HA VAL A 74 6.278 -0.725 7.947 1.00 0.00 H new ATOM 0 HB VAL A 74 7.807 -1.516 10.413 1.00 0.00 H new ATOM 0 HG11 VAL A 74 6.485 0.202 11.597 1.00 0.00 H new ATOM 0 HG12 VAL A 74 7.575 0.917 10.386 1.00 0.00 H new ATOM 0 HG13 VAL A 74 5.836 0.766 10.039 1.00 0.00 H new ATOM 0 HG21 VAL A 74 5.559 -2.066 11.273 1.00 0.00 H new ATOM 0 HG22 VAL A 74 4.856 -1.629 9.697 1.00 0.00 H new ATOM 0 HG23 VAL A 74 5.968 -3.013 9.823 1.00 0.00 H new ATOM 1090 N ALA A 75 7.722 1.324 7.981 1.00 0.00 N ATOM 1091 CA ALA A 75 8.567 2.461 7.659 1.00 0.00 C ATOM 1092 C ALA A 75 8.971 3.174 8.951 1.00 0.00 C ATOM 1093 O ALA A 75 8.619 4.333 9.161 1.00 0.00 O ATOM 1094 CB ALA A 75 7.829 3.386 6.689 1.00 0.00 C ATOM 0 H ALA A 75 6.736 1.549 8.113 1.00 0.00 H new ATOM 0 HA ALA A 75 9.481 2.132 7.165 1.00 0.00 H new ATOM 0 HB1 ALA A 75 8.462 4.239 6.447 1.00 0.00 H new ATOM 0 HB2 ALA A 75 7.591 2.840 5.776 1.00 0.00 H new ATOM 0 HB3 ALA A 75 6.907 3.738 7.152 1.00 0.00 H new ATOM 1100 N PHE A 76 9.704 2.450 9.784 1.00 0.00 N ATOM 1101 CA PHE A 76 10.159 2.998 11.051 1.00 0.00 C ATOM 1102 C PHE A 76 10.779 4.383 10.857 1.00 0.00 C ATOM 1103 O PHE A 76 10.435 5.326 11.568 1.00 0.00 O ATOM 1104 CB PHE A 76 11.227 2.045 11.592 1.00 0.00 C ATOM 1105 CG PHE A 76 10.660 0.834 12.337 1.00 0.00 C ATOM 1106 CD1 PHE A 76 10.146 0.984 13.587 1.00 0.00 C ATOM 1107 CD2 PHE A 76 10.670 -0.392 11.748 1.00 0.00 C ATOM 1108 CE1 PHE A 76 9.621 -0.140 14.278 1.00 0.00 C ATOM 1109 CE2 PHE A 76 10.145 -1.515 12.439 1.00 0.00 C ATOM 1110 CZ PHE A 76 9.631 -1.366 13.689 1.00 0.00 C ATOM 0 H PHE A 76 9.994 1.488 9.606 1.00 0.00 H new ATOM 0 HA PHE A 76 9.318 3.099 11.737 1.00 0.00 H new ATOM 0 HB2 PHE A 76 11.840 1.694 10.762 1.00 0.00 H new ATOM 0 HB3 PHE A 76 11.885 2.596 12.263 1.00 0.00 H new ATOM 0 HD1 PHE A 76 10.137 1.958 14.054 1.00 0.00 H new ATOM 0 HD2 PHE A 76 11.077 -0.511 10.755 1.00 0.00 H new ATOM 0 HE1 PHE A 76 9.214 -0.021 15.271 1.00 0.00 H new ATOM 0 HE2 PHE A 76 10.154 -2.489 11.972 1.00 0.00 H new ATOM 0 HZ PHE A 76 9.231 -2.221 14.214 1.00 0.00 H new ATOM 1120 N ASP A 77 11.683 4.462 9.891 1.00 0.00 N ATOM 1121 CA ASP A 77 12.354 5.716 9.595 1.00 0.00 C ATOM 1122 C ASP A 77 11.334 6.856 9.630 1.00 0.00 C ATOM 1123 O ASP A 77 11.471 7.792 10.417 1.00 0.00 O ATOM 1124 CB ASP A 77 12.983 5.688 8.201 1.00 0.00 C ATOM 1125 CG ASP A 77 14.384 5.074 8.135 1.00 0.00 C ATOM 1126 OD1 ASP A 77 14.462 3.829 8.214 1.00 0.00 O ATOM 1127 OD2 ASP A 77 15.344 5.864 8.009 1.00 0.00 O ATOM 0 H ASP A 77 11.966 3.678 9.304 1.00 0.00 H new ATOM 0 HA ASP A 77 13.135 5.865 10.341 1.00 0.00 H new ATOM 0 HB2 ASP A 77 12.326 5.130 7.534 1.00 0.00 H new ATOM 0 HB3 ASP A 77 13.032 6.708 7.820 1.00 0.00 H new ATOM 1132 N TYR A 78 10.335 6.740 8.768 1.00 0.00 N ATOM 1133 CA TYR A 78 9.292 7.750 8.691 1.00 0.00 C ATOM 1134 C TYR A 78 8.833 8.172 10.088 1.00 0.00 C ATOM 1135 O TYR A 78 8.130 7.425 10.767 1.00 0.00 O ATOM 1136 CB TYR A 78 8.121 7.091 7.960 1.00 0.00 C ATOM 1137 CG TYR A 78 7.299 8.058 7.104 1.00 0.00 C ATOM 1138 CD1 TYR A 78 7.324 9.411 7.374 1.00 0.00 C ATOM 1139 CD2 TYR A 78 6.534 7.576 6.062 1.00 0.00 C ATOM 1140 CE1 TYR A 78 6.551 10.320 6.569 1.00 0.00 C ATOM 1141 CE2 TYR A 78 5.761 8.486 5.256 1.00 0.00 C ATOM 1142 CZ TYR A 78 5.808 9.813 5.550 1.00 0.00 C ATOM 1143 OH TYR A 78 5.077 10.672 4.789 1.00 0.00 O ATOM 0 H TYR A 78 10.225 5.963 8.117 1.00 0.00 H new ATOM 0 HA TYR A 78 9.657 8.641 8.179 1.00 0.00 H new ATOM 0 HB2 TYR A 78 8.505 6.295 7.323 1.00 0.00 H new ATOM 0 HB3 TYR A 78 7.465 6.623 8.694 1.00 0.00 H new ATOM 0 HD1 TYR A 78 7.924 9.788 8.189 1.00 0.00 H new ATOM 0 HD2 TYR A 78 6.515 6.517 5.851 1.00 0.00 H new ATOM 0 HE1 TYR A 78 6.561 11.381 6.770 1.00 0.00 H new ATOM 0 HE2 TYR A 78 5.158 8.123 4.437 1.00 0.00 H new ATOM 0 HH TYR A 78 5.050 10.348 3.865 1.00 0.00 H new ATOM 1153 N ARG A 79 9.250 9.368 10.477 1.00 0.00 N ATOM 1154 CA ARG A 79 8.891 9.898 11.781 1.00 0.00 C ATOM 1155 C ARG A 79 7.690 10.838 11.659 1.00 0.00 C ATOM 1156 O ARG A 79 6.788 10.810 12.495 1.00 0.00 O ATOM 1157 CB ARG A 79 10.062 10.657 12.409 1.00 0.00 C ATOM 1158 CG ARG A 79 9.679 11.221 13.779 1.00 0.00 C ATOM 1159 CD ARG A 79 10.913 11.387 14.668 1.00 0.00 C ATOM 1160 NE ARG A 79 10.514 11.386 16.093 1.00 0.00 N ATOM 1161 CZ ARG A 79 11.366 11.563 17.112 1.00 0.00 C ATOM 1162 NH1 ARG A 79 12.670 11.756 16.869 1.00 0.00 N ATOM 1163 NH2 ARG A 79 10.915 11.546 18.374 1.00 0.00 N ATOM 0 H ARG A 79 9.833 9.985 9.912 1.00 0.00 H new ATOM 0 HA ARG A 79 8.634 9.055 12.422 1.00 0.00 H new ATOM 0 HB2 ARG A 79 10.918 9.990 12.513 1.00 0.00 H new ATOM 0 HB3 ARG A 79 10.369 11.469 11.750 1.00 0.00 H new ATOM 0 HG2 ARG A 79 9.184 12.184 13.654 1.00 0.00 H new ATOM 0 HG3 ARG A 79 8.964 10.556 14.263 1.00 0.00 H new ATOM 0 HD2 ARG A 79 11.619 10.578 14.479 1.00 0.00 H new ATOM 0 HD3 ARG A 79 11.423 12.319 14.425 1.00 0.00 H new ATOM 0 HE ARG A 79 9.529 11.242 16.313 1.00 0.00 H new ATOM 0 HH11 ARG A 79 13.013 11.768 15.909 1.00 0.00 H new ATOM 0 HH12 ARG A 79 13.319 11.891 17.644 1.00 0.00 H new ATOM 0 HH21 ARG A 79 9.923 11.398 18.559 1.00 0.00 H new ATOM 0 HH22 ARG A 79 11.564 11.681 19.149 1.00 0.00 H new ATOM 1177 N LYS A 80 7.717 11.649 10.611 1.00 0.00 N ATOM 1178 CA LYS A 80 6.642 12.595 10.369 1.00 0.00 C ATOM 1179 C LYS A 80 5.299 11.866 10.447 1.00 0.00 C ATOM 1180 O LYS A 80 4.599 11.952 11.456 1.00 0.00 O ATOM 1181 CB LYS A 80 6.865 13.333 9.048 1.00 0.00 C ATOM 1182 CG LYS A 80 7.978 14.374 9.182 1.00 0.00 C ATOM 1183 CD LYS A 80 7.401 15.790 9.243 1.00 0.00 C ATOM 1184 CE LYS A 80 7.491 16.359 10.660 1.00 0.00 C ATOM 1185 NZ LYS A 80 6.868 17.700 10.721 1.00 0.00 N ATOM 0 H LYS A 80 8.467 11.670 9.920 1.00 0.00 H new ATOM 0 HA LYS A 80 6.632 13.365 11.140 1.00 0.00 H new ATOM 0 HB2 LYS A 80 7.123 12.618 8.267 1.00 0.00 H new ATOM 0 HB3 LYS A 80 5.941 13.821 8.740 1.00 0.00 H new ATOM 0 HG2 LYS A 80 8.560 14.176 10.082 1.00 0.00 H new ATOM 0 HG3 LYS A 80 8.661 14.292 8.337 1.00 0.00 H new ATOM 0 HD2 LYS A 80 7.942 16.437 8.553 1.00 0.00 H new ATOM 0 HD3 LYS A 80 6.361 15.777 8.918 1.00 0.00 H new ATOM 0 HE2 LYS A 80 6.993 15.688 11.360 1.00 0.00 H new ATOM 0 HE3 LYS A 80 8.535 16.422 10.967 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 6.938 18.072 11.690 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 7.361 18.342 10.068 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 5.867 17.630 10.448 1.00 0.00 H new ATOM 1199 N ARG A 81 4.979 11.165 9.370 1.00 0.00 N ATOM 1200 CA ARG A 81 3.733 10.421 9.303 1.00 0.00 C ATOM 1201 C ARG A 81 3.775 9.227 10.259 1.00 0.00 C ATOM 1202 O ARG A 81 4.807 8.954 10.871 1.00 0.00 O ATOM 1203 CB ARG A 81 3.465 9.920 7.883 1.00 0.00 C ATOM 1204 CG ARG A 81 3.053 11.071 6.963 1.00 0.00 C ATOM 1205 CD ARG A 81 2.179 10.568 5.813 1.00 0.00 C ATOM 1206 NE ARG A 81 2.060 11.614 4.773 1.00 0.00 N ATOM 1207 CZ ARG A 81 1.152 12.599 4.798 1.00 0.00 C ATOM 1208 NH1 ARG A 81 0.278 12.678 5.811 1.00 0.00 N ATOM 1209 NH2 ARG A 81 1.117 13.505 3.811 1.00 0.00 N ATOM 0 H ARG A 81 5.562 11.096 8.536 1.00 0.00 H new ATOM 0 HA ARG A 81 2.929 11.096 9.595 1.00 0.00 H new ATOM 0 HB2 ARG A 81 4.360 9.437 7.489 1.00 0.00 H new ATOM 0 HB3 ARG A 81 2.678 9.166 7.902 1.00 0.00 H new ATOM 0 HG2 ARG A 81 2.509 11.822 7.536 1.00 0.00 H new ATOM 0 HG3 ARG A 81 3.942 11.557 6.563 1.00 0.00 H new ATOM 0 HD2 ARG A 81 2.613 9.665 5.384 1.00 0.00 H new ATOM 0 HD3 ARG A 81 1.190 10.301 6.187 1.00 0.00 H new ATOM 0 HE ARG A 81 2.710 11.583 3.988 1.00 0.00 H new ATOM 0 HH11 ARG A 81 0.304 11.989 6.562 1.00 0.00 H new ATOM 0 HH12 ARG A 81 -0.413 13.428 5.831 1.00 0.00 H new ATOM 0 HH21 ARG A 81 1.782 13.445 3.040 1.00 0.00 H new ATOM 0 HH22 ARG A 81 0.425 14.254 3.831 1.00 0.00 H new ATOM 1223 N LYS A 82 2.643 8.547 10.356 1.00 0.00 N ATOM 1224 CA LYS A 82 2.538 7.388 11.226 1.00 0.00 C ATOM 1225 C LYS A 82 1.850 6.249 10.471 1.00 0.00 C ATOM 1226 O LYS A 82 1.163 6.483 9.478 1.00 0.00 O ATOM 1227 CB LYS A 82 1.845 7.764 12.537 1.00 0.00 C ATOM 1228 CG LYS A 82 2.802 8.507 13.471 1.00 0.00 C ATOM 1229 CD LYS A 82 2.042 9.477 14.377 1.00 0.00 C ATOM 1230 CE LYS A 82 2.734 9.617 15.734 1.00 0.00 C ATOM 1231 NZ LYS A 82 2.101 10.692 16.531 1.00 0.00 N ATOM 0 H LYS A 82 1.790 8.776 9.846 1.00 0.00 H new ATOM 0 HA LYS A 82 3.529 7.031 11.507 1.00 0.00 H new ATOM 0 HB2 LYS A 82 0.977 8.390 12.327 1.00 0.00 H new ATOM 0 HB3 LYS A 82 1.477 6.864 13.029 1.00 0.00 H new ATOM 0 HG2 LYS A 82 3.351 7.789 14.080 1.00 0.00 H new ATOM 0 HG3 LYS A 82 3.538 9.055 12.882 1.00 0.00 H new ATOM 0 HD2 LYS A 82 1.976 10.453 13.896 1.00 0.00 H new ATOM 0 HD3 LYS A 82 1.021 9.122 14.520 1.00 0.00 H new ATOM 0 HE2 LYS A 82 2.678 8.673 16.276 1.00 0.00 H new ATOM 0 HE3 LYS A 82 3.791 9.839 15.588 1.00 0.00 H new ATOM 0 HZ1 LYS A 82 2.583 10.773 17.449 1.00 0.00 H new ATOM 0 HZ2 LYS A 82 2.177 11.594 16.019 1.00 0.00 H new ATOM 0 HZ3 LYS A 82 1.098 10.465 16.686 1.00 0.00 H new ATOM 1245 N HIS A 83 2.059 5.039 10.971 1.00 0.00 N ATOM 1246 CA HIS A 83 1.468 3.863 10.356 1.00 0.00 C ATOM 1247 C HIS A 83 1.804 3.841 8.864 1.00 0.00 C ATOM 1248 O HIS A 83 0.922 4.010 8.023 1.00 0.00 O ATOM 1249 CB HIS A 83 -0.037 3.808 10.626 1.00 0.00 C ATOM 1250 CG HIS A 83 -0.529 4.868 11.582 1.00 0.00 C ATOM 1251 ND1 HIS A 83 -1.153 6.058 11.349 1.00 0.00 N flip ATOM 1252 CD2 HIS A 83 -0.397 4.758 12.955 1.00 0.00 C flip ATOM 1253 CE1 HIS A 83 -1.390 6.644 12.516 1.00 0.00 C flip ATOM 1254 NE2 HIS A 83 -0.922 5.840 13.513 1.00 0.00 N flip ATOM 0 H HIS A 83 2.629 4.848 11.795 1.00 0.00 H new ATOM 0 HA HIS A 83 1.892 2.963 10.801 1.00 0.00 H new ATOM 0 HB2 HIS A 83 -0.569 3.911 9.680 1.00 0.00 H new ATOM 0 HB3 HIS A 83 -0.288 2.826 11.028 1.00 0.00 H new ATOM 0 HD2 HIS A 83 0.056 3.932 13.482 1.00 0.00 H new ATOM 0 HE1 HIS A 83 -1.874 7.600 12.653 1.00 0.00 H new ATOM 0 HE2 HIS A 83 -0.968 6.037 14.513 1.00 0.00 H new ATOM 1262 N VAL A 84 3.081 3.630 8.580 1.00 0.00 N ATOM 1263 CA VAL A 84 3.544 3.583 7.204 1.00 0.00 C ATOM 1264 C VAL A 84 4.553 2.444 7.049 1.00 0.00 C ATOM 1265 O VAL A 84 5.411 2.248 7.909 1.00 0.00 O ATOM 1266 CB VAL A 84 4.111 4.945 6.796 1.00 0.00 C ATOM 1267 CG1 VAL A 84 4.725 4.886 5.396 1.00 0.00 C ATOM 1268 CG2 VAL A 84 3.039 6.033 6.880 1.00 0.00 C ATOM 0 H VAL A 84 3.809 3.490 9.280 1.00 0.00 H new ATOM 0 HA VAL A 84 2.714 3.376 6.528 1.00 0.00 H new ATOM 0 HB VAL A 84 4.904 5.202 7.499 1.00 0.00 H new ATOM 0 HG11 VAL A 84 5.120 5.866 5.131 1.00 0.00 H new ATOM 0 HG12 VAL A 84 5.532 4.154 5.383 1.00 0.00 H new ATOM 0 HG13 VAL A 84 3.960 4.596 4.675 1.00 0.00 H new ATOM 0 HG21 VAL A 84 3.468 6.990 6.585 1.00 0.00 H new ATOM 0 HG22 VAL A 84 2.215 5.784 6.212 1.00 0.00 H new ATOM 0 HG23 VAL A 84 2.669 6.101 7.903 1.00 0.00 H new ATOM 1278 N PHE A 85 4.418 1.723 5.946 1.00 0.00 N ATOM 1279 CA PHE A 85 5.308 0.608 5.667 1.00 0.00 C ATOM 1280 C PHE A 85 5.898 0.717 4.259 1.00 0.00 C ATOM 1281 O PHE A 85 5.257 1.246 3.353 1.00 0.00 O ATOM 1282 CB PHE A 85 4.468 -0.668 5.758 1.00 0.00 C ATOM 1283 CG PHE A 85 3.218 -0.655 4.875 1.00 0.00 C ATOM 1284 CD1 PHE A 85 2.192 0.190 5.162 1.00 0.00 C ATOM 1285 CD2 PHE A 85 3.134 -1.488 3.804 1.00 0.00 C ATOM 1286 CE1 PHE A 85 1.032 0.202 4.343 1.00 0.00 C ATOM 1287 CE2 PHE A 85 1.974 -1.476 2.985 1.00 0.00 C ATOM 1288 CZ PHE A 85 0.948 -0.631 3.272 1.00 0.00 C ATOM 0 H PHE A 85 3.706 1.889 5.235 1.00 0.00 H new ATOM 0 HA PHE A 85 6.134 0.603 6.379 1.00 0.00 H new ATOM 0 HB2 PHE A 85 5.088 -1.520 5.479 1.00 0.00 H new ATOM 0 HB3 PHE A 85 4.167 -0.819 6.795 1.00 0.00 H new ATOM 0 HD1 PHE A 85 2.259 0.852 6.013 1.00 0.00 H new ATOM 0 HD2 PHE A 85 3.949 -2.159 3.576 1.00 0.00 H new ATOM 0 HE1 PHE A 85 0.217 0.873 4.571 1.00 0.00 H new ATOM 0 HE2 PHE A 85 1.907 -2.138 2.134 1.00 0.00 H new ATOM 0 HZ PHE A 85 0.066 -0.622 2.649 1.00 0.00 H new ATOM 1298 N LYS A 86 7.113 0.207 4.121 1.00 0.00 N ATOM 1299 CA LYS A 86 7.797 0.240 2.840 1.00 0.00 C ATOM 1300 C LYS A 86 7.642 -1.116 2.149 1.00 0.00 C ATOM 1301 O LYS A 86 7.973 -2.152 2.725 1.00 0.00 O ATOM 1302 CB LYS A 86 9.252 0.676 3.020 1.00 0.00 C ATOM 1303 CG LYS A 86 9.975 0.746 1.673 1.00 0.00 C ATOM 1304 CD LYS A 86 11.429 1.188 1.853 1.00 0.00 C ATOM 1305 CE LYS A 86 11.505 2.570 2.505 1.00 0.00 C ATOM 1306 NZ LYS A 86 12.162 2.483 3.828 1.00 0.00 N ATOM 0 H LYS A 86 7.641 -0.231 4.875 1.00 0.00 H new ATOM 0 HA LYS A 86 7.344 0.985 2.186 1.00 0.00 H new ATOM 0 HB2 LYS A 86 9.286 1.651 3.506 1.00 0.00 H new ATOM 0 HB3 LYS A 86 9.767 -0.025 3.677 1.00 0.00 H new ATOM 0 HG2 LYS A 86 9.945 -0.230 1.189 1.00 0.00 H new ATOM 0 HG3 LYS A 86 9.458 1.444 1.015 1.00 0.00 H new ATOM 0 HD2 LYS A 86 11.960 0.462 2.468 1.00 0.00 H new ATOM 0 HD3 LYS A 86 11.928 1.211 0.884 1.00 0.00 H new ATOM 0 HE2 LYS A 86 12.060 3.252 1.861 1.00 0.00 H new ATOM 0 HE3 LYS A 86 10.502 2.982 2.617 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 12.206 3.429 4.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 11.617 1.848 4.445 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 13.126 2.110 3.713 1.00 0.00 H new ATOM 1320 N LEU A 87 7.140 -1.067 0.924 1.00 0.00 N ATOM 1321 CA LEU A 87 6.937 -2.279 0.149 1.00 0.00 C ATOM 1322 C LEU A 87 7.980 -2.344 -0.969 1.00 0.00 C ATOM 1323 O LEU A 87 7.950 -1.540 -1.899 1.00 0.00 O ATOM 1324 CB LEU A 87 5.494 -2.360 -0.352 1.00 0.00 C ATOM 1325 CG LEU A 87 5.180 -3.510 -1.311 1.00 0.00 C ATOM 1326 CD1 LEU A 87 5.202 -4.854 -0.581 1.00 0.00 C ATOM 1327 CD2 LEU A 87 3.854 -3.273 -2.036 1.00 0.00 C ATOM 0 H LEU A 87 6.868 -0.206 0.449 1.00 0.00 H new ATOM 0 HA LEU A 87 7.083 -3.160 0.774 1.00 0.00 H new ATOM 0 HB2 LEU A 87 4.835 -2.444 0.512 1.00 0.00 H new ATOM 0 HB3 LEU A 87 5.250 -1.421 -0.850 1.00 0.00 H new ATOM 0 HG LEU A 87 5.961 -3.544 -2.071 1.00 0.00 H new ATOM 0 HD11 LEU A 87 4.976 -5.654 -1.285 1.00 0.00 H new ATOM 0 HD12 LEU A 87 6.190 -5.018 -0.150 1.00 0.00 H new ATOM 0 HD13 LEU A 87 4.456 -4.849 0.214 1.00 0.00 H new ATOM 0 HD21 LEU A 87 3.655 -4.105 -2.711 1.00 0.00 H new ATOM 0 HD22 LEU A 87 3.048 -3.198 -1.306 1.00 0.00 H new ATOM 0 HD23 LEU A 87 3.913 -2.347 -2.608 1.00 0.00 H new ATOM 1339 N GLY A 88 8.879 -3.310 -0.841 1.00 0.00 N ATOM 1340 CA GLY A 88 9.929 -3.491 -1.828 1.00 0.00 C ATOM 1341 C GLY A 88 9.707 -4.770 -2.637 1.00 0.00 C ATOM 1342 O GLY A 88 9.748 -5.871 -2.088 1.00 0.00 O ATOM 0 H GLY A 88 8.901 -3.975 -0.068 1.00 0.00 H new ATOM 0 HA2 GLY A 88 9.954 -2.632 -2.499 1.00 0.00 H new ATOM 0 HA3 GLY A 88 10.897 -3.535 -1.330 1.00 0.00 H new ATOM 1346 N LEU A 89 9.476 -4.584 -3.928 1.00 0.00 N ATOM 1347 CA LEU A 89 9.247 -5.710 -4.817 1.00 0.00 C ATOM 1348 C LEU A 89 10.571 -6.436 -5.065 1.00 0.00 C ATOM 1349 O LEU A 89 11.583 -6.118 -4.443 1.00 0.00 O ATOM 1350 CB LEU A 89 8.550 -5.247 -6.099 1.00 0.00 C ATOM 1351 CG LEU A 89 7.273 -4.427 -5.908 1.00 0.00 C ATOM 1352 CD1 LEU A 89 6.388 -4.493 -7.155 1.00 0.00 C ATOM 1353 CD2 LEU A 89 6.522 -4.865 -4.649 1.00 0.00 C ATOM 0 H LEU A 89 9.442 -3.670 -4.380 1.00 0.00 H new ATOM 0 HA LEU A 89 8.570 -6.429 -4.355 1.00 0.00 H new ATOM 0 HB2 LEU A 89 9.256 -4.653 -6.679 1.00 0.00 H new ATOM 0 HB3 LEU A 89 8.308 -6.127 -6.696 1.00 0.00 H new ATOM 0 HG LEU A 89 7.555 -3.384 -5.767 1.00 0.00 H new ATOM 0 HD11 LEU A 89 5.487 -3.902 -6.993 1.00 0.00 H new ATOM 0 HD12 LEU A 89 6.934 -4.095 -8.010 1.00 0.00 H new ATOM 0 HD13 LEU A 89 6.112 -5.529 -7.351 1.00 0.00 H new ATOM 0 HD21 LEU A 89 5.618 -4.266 -4.537 1.00 0.00 H new ATOM 0 HD22 LEU A 89 6.251 -5.917 -4.734 1.00 0.00 H new ATOM 0 HD23 LEU A 89 7.161 -4.724 -3.777 1.00 0.00 H new ATOM 1365 N GLN A 90 10.521 -7.396 -5.976 1.00 0.00 N ATOM 1366 CA GLN A 90 11.704 -8.170 -6.314 1.00 0.00 C ATOM 1367 C GLN A 90 12.416 -7.551 -7.518 1.00 0.00 C ATOM 1368 O GLN A 90 13.457 -8.045 -7.950 1.00 0.00 O ATOM 1369 CB GLN A 90 11.344 -9.633 -6.582 1.00 0.00 C ATOM 1370 CG GLN A 90 10.297 -9.746 -7.692 1.00 0.00 C ATOM 1371 CD GLN A 90 10.368 -11.113 -8.375 1.00 0.00 C ATOM 1372 OE1 GLN A 90 11.313 -11.868 -8.214 1.00 0.00 O ATOM 1373 NE2 GLN A 90 9.319 -11.388 -9.146 1.00 0.00 N ATOM 0 H GLN A 90 9.680 -7.656 -6.491 1.00 0.00 H new ATOM 0 HA GLN A 90 12.385 -8.148 -5.463 1.00 0.00 H new ATOM 0 HB2 GLN A 90 12.240 -10.186 -6.865 1.00 0.00 H new ATOM 0 HB3 GLN A 90 10.962 -10.090 -5.669 1.00 0.00 H new ATOM 0 HG2 GLN A 90 9.301 -9.595 -7.275 1.00 0.00 H new ATOM 0 HG3 GLN A 90 10.456 -8.959 -8.429 1.00 0.00 H new ATOM 0 HE21 GLN A 90 8.561 -10.711 -9.237 1.00 0.00 H new ATOM 0 HE22 GLN A 90 9.272 -12.276 -9.646 1.00 0.00 H new ATOM 1382 N ASP A 91 11.828 -6.478 -8.027 1.00 0.00 N ATOM 1383 CA ASP A 91 12.393 -5.787 -9.173 1.00 0.00 C ATOM 1384 C ASP A 91 12.984 -4.451 -8.717 1.00 0.00 C ATOM 1385 O ASP A 91 13.142 -3.532 -9.519 1.00 0.00 O ATOM 1386 CB ASP A 91 11.321 -5.495 -10.225 1.00 0.00 C ATOM 1387 CG ASP A 91 11.830 -4.812 -11.495 1.00 0.00 C ATOM 1388 OD1 ASP A 91 12.475 -5.519 -12.300 1.00 0.00 O ATOM 1389 OD2 ASP A 91 11.563 -3.599 -11.633 1.00 0.00 O ATOM 0 H ASP A 91 10.965 -6.070 -7.666 1.00 0.00 H new ATOM 0 HA ASP A 91 13.160 -6.428 -9.608 1.00 0.00 H new ATOM 0 HB2 ASP A 91 10.841 -6.433 -10.503 1.00 0.00 H new ATOM 0 HB3 ASP A 91 10.554 -4.865 -9.775 1.00 0.00 H new ATOM 1394 N GLY A 92 13.294 -4.387 -7.430 1.00 0.00 N ATOM 1395 CA GLY A 92 13.864 -3.179 -6.858 1.00 0.00 C ATOM 1396 C GLY A 92 12.846 -2.036 -6.865 1.00 0.00 C ATOM 1397 O GLY A 92 13.222 -0.866 -6.925 1.00 0.00 O ATOM 0 H GLY A 92 13.161 -5.151 -6.768 1.00 0.00 H new ATOM 0 HA2 GLY A 92 14.190 -3.375 -5.836 1.00 0.00 H new ATOM 0 HA3 GLY A 92 14.748 -2.887 -7.424 1.00 0.00 H new ATOM 1401 N LYS A 93 11.578 -2.415 -6.803 1.00 0.00 N ATOM 1402 CA LYS A 93 10.504 -1.436 -6.802 1.00 0.00 C ATOM 1403 C LYS A 93 10.002 -1.238 -5.371 1.00 0.00 C ATOM 1404 O LYS A 93 9.304 -2.095 -4.830 1.00 0.00 O ATOM 1405 CB LYS A 93 9.407 -1.843 -7.788 1.00 0.00 C ATOM 1406 CG LYS A 93 9.056 -0.687 -8.726 1.00 0.00 C ATOM 1407 CD LYS A 93 7.775 -0.984 -9.508 1.00 0.00 C ATOM 1408 CE LYS A 93 8.076 -1.817 -10.756 1.00 0.00 C ATOM 1409 NZ LYS A 93 8.623 -3.139 -10.378 1.00 0.00 N ATOM 0 H LYS A 93 11.270 -3.386 -6.753 1.00 0.00 H new ATOM 0 HA LYS A 93 10.869 -0.469 -7.149 1.00 0.00 H new ATOM 0 HB2 LYS A 93 9.738 -2.702 -8.372 1.00 0.00 H new ATOM 0 HB3 LYS A 93 8.518 -2.154 -7.240 1.00 0.00 H new ATOM 0 HG2 LYS A 93 8.930 0.229 -8.149 1.00 0.00 H new ATOM 0 HG3 LYS A 93 9.878 -0.515 -9.420 1.00 0.00 H new ATOM 0 HD2 LYS A 93 7.071 -1.519 -8.870 1.00 0.00 H new ATOM 0 HD3 LYS A 93 7.296 -0.049 -9.797 1.00 0.00 H new ATOM 0 HE2 LYS A 93 7.166 -1.947 -11.341 1.00 0.00 H new ATOM 0 HE3 LYS A 93 8.789 -1.289 -11.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 93 8.372 -3.839 -11.105 1.00 0.00 H new ATOM 0 HZ2 LYS A 93 9.658 -3.077 -10.299 1.00 0.00 H new ATOM 0 HZ3 LYS A 93 8.223 -3.431 -9.463 1.00 0.00 H new ATOM 1423 N GLU A 94 10.377 -0.104 -4.797 1.00 0.00 N ATOM 1424 CA GLU A 94 9.973 0.217 -3.439 1.00 0.00 C ATOM 1425 C GLU A 94 8.795 1.193 -3.452 1.00 0.00 C ATOM 1426 O GLU A 94 8.725 2.076 -4.305 1.00 0.00 O ATOM 1427 CB GLU A 94 11.146 0.785 -2.638 1.00 0.00 C ATOM 1428 CG GLU A 94 11.959 -0.336 -1.987 1.00 0.00 C ATOM 1429 CD GLU A 94 13.159 -0.719 -2.855 1.00 0.00 C ATOM 1430 OE1 GLU A 94 12.922 -1.051 -4.037 1.00 0.00 O ATOM 1431 OE2 GLU A 94 14.287 -0.671 -2.318 1.00 0.00 O ATOM 0 H GLU A 94 10.956 0.604 -5.248 1.00 0.00 H new ATOM 0 HA GLU A 94 9.652 -0.703 -2.949 1.00 0.00 H new ATOM 0 HB2 GLU A 94 11.789 1.372 -3.294 1.00 0.00 H new ATOM 0 HB3 GLU A 94 10.773 1.462 -1.870 1.00 0.00 H new ATOM 0 HG2 GLU A 94 12.304 -0.016 -1.004 1.00 0.00 H new ATOM 0 HG3 GLU A 94 11.324 -1.208 -1.833 1.00 0.00 H new ATOM 1438 N TYR A 95 7.897 1.001 -2.496 1.00 0.00 N ATOM 1439 CA TYR A 95 6.726 1.853 -2.387 1.00 0.00 C ATOM 1440 C TYR A 95 6.469 2.249 -0.932 1.00 0.00 C ATOM 1441 O TYR A 95 6.924 1.572 -0.011 1.00 0.00 O ATOM 1442 CB TYR A 95 5.548 1.017 -2.891 1.00 0.00 C ATOM 1443 CG TYR A 95 5.544 0.795 -4.405 1.00 0.00 C ATOM 1444 CD1 TYR A 95 5.195 1.826 -5.253 1.00 0.00 C ATOM 1445 CD2 TYR A 95 5.891 -0.437 -4.922 1.00 0.00 C ATOM 1446 CE1 TYR A 95 5.192 1.617 -6.677 1.00 0.00 C ATOM 1447 CE2 TYR A 95 5.888 -0.646 -6.347 1.00 0.00 C ATOM 1448 CZ TYR A 95 5.539 0.392 -7.154 1.00 0.00 C ATOM 1449 OH TYR A 95 5.536 0.195 -8.500 1.00 0.00 O ATOM 0 H TYR A 95 7.958 0.267 -1.790 1.00 0.00 H new ATOM 0 HA TYR A 95 6.864 2.770 -2.960 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.564 0.048 -2.392 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.618 1.508 -2.604 1.00 0.00 H new ATOM 0 HD1 TYR A 95 4.924 2.790 -4.848 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.165 -1.244 -4.258 1.00 0.00 H new ATOM 0 HE1 TYR A 95 4.920 2.415 -7.352 1.00 0.00 H new ATOM 0 HE2 TYR A 95 6.157 -1.605 -6.765 1.00 0.00 H new ATOM 0 HH TYR A 95 5.743 1.038 -8.954 1.00 0.00 H new ATOM 1459 N LEU A 96 5.741 3.343 -0.769 1.00 0.00 N ATOM 1460 CA LEU A 96 5.418 3.837 0.559 1.00 0.00 C ATOM 1461 C LEU A 96 3.904 4.023 0.675 1.00 0.00 C ATOM 1462 O LEU A 96 3.308 4.786 -0.084 1.00 0.00 O ATOM 1463 CB LEU A 96 6.219 5.104 0.869 1.00 0.00 C ATOM 1464 CG LEU A 96 7.678 4.892 1.277 1.00 0.00 C ATOM 1465 CD1 LEU A 96 8.370 6.228 1.552 1.00 0.00 C ATOM 1466 CD2 LEU A 96 7.780 3.937 2.468 1.00 0.00 C ATOM 0 H LEU A 96 5.365 3.902 -1.535 1.00 0.00 H new ATOM 0 HA LEU A 96 5.709 3.110 1.317 1.00 0.00 H new ATOM 0 HB2 LEU A 96 6.198 5.747 -0.011 1.00 0.00 H new ATOM 0 HB3 LEU A 96 5.713 5.643 1.670 1.00 0.00 H new ATOM 0 HG LEU A 96 8.202 4.424 0.443 1.00 0.00 H new ATOM 0 HD11 LEU A 96 9.406 6.049 1.840 1.00 0.00 H new ATOM 0 HD12 LEU A 96 8.345 6.843 0.652 1.00 0.00 H new ATOM 0 HD13 LEU A 96 7.853 6.746 2.360 1.00 0.00 H new ATOM 0 HD21 LEU A 96 8.827 3.803 2.738 1.00 0.00 H new ATOM 0 HD22 LEU A 96 7.237 4.354 3.316 1.00 0.00 H new ATOM 0 HD23 LEU A 96 7.349 2.973 2.199 1.00 0.00 H new ATOM 1478 N PHE A 97 3.325 3.312 1.632 1.00 0.00 N ATOM 1479 CA PHE A 97 1.891 3.389 1.858 1.00 0.00 C ATOM 1480 C PHE A 97 1.584 3.762 3.309 1.00 0.00 C ATOM 1481 O PHE A 97 2.209 3.243 4.233 1.00 0.00 O ATOM 1482 CB PHE A 97 1.318 2.001 1.567 1.00 0.00 C ATOM 1483 CG PHE A 97 1.560 1.514 0.137 1.00 0.00 C ATOM 1484 CD1 PHE A 97 0.720 1.896 -0.862 1.00 0.00 C ATOM 1485 CD2 PHE A 97 2.614 0.699 -0.134 1.00 0.00 C ATOM 1486 CE1 PHE A 97 0.945 1.444 -2.190 1.00 0.00 C ATOM 1487 CE2 PHE A 97 2.839 0.247 -1.462 1.00 0.00 C ATOM 1488 CZ PHE A 97 1.999 0.629 -2.461 1.00 0.00 C ATOM 0 H PHE A 97 3.823 2.680 2.259 1.00 0.00 H new ATOM 0 HA PHE A 97 1.453 4.153 1.215 1.00 0.00 H new ATOM 0 HB2 PHE A 97 1.756 1.285 2.262 1.00 0.00 H new ATOM 0 HB3 PHE A 97 0.245 2.015 1.758 1.00 0.00 H new ATOM 0 HD1 PHE A 97 -0.118 2.543 -0.646 1.00 0.00 H new ATOM 0 HD2 PHE A 97 3.280 0.395 0.660 1.00 0.00 H new ATOM 0 HE1 PHE A 97 0.279 1.748 -2.984 1.00 0.00 H new ATOM 0 HE2 PHE A 97 3.677 -0.400 -1.678 1.00 0.00 H new ATOM 0 HZ PHE A 97 2.169 0.285 -3.470 1.00 0.00 H new ATOM 1498 N GLN A 98 0.621 4.659 3.465 1.00 0.00 N ATOM 1499 CA GLN A 98 0.224 5.107 4.789 1.00 0.00 C ATOM 1500 C GLN A 98 -1.191 4.621 5.111 1.00 0.00 C ATOM 1501 O GLN A 98 -2.155 5.040 4.472 1.00 0.00 O ATOM 1502 CB GLN A 98 0.320 6.630 4.904 1.00 0.00 C ATOM 1503 CG GLN A 98 -0.014 7.094 6.323 1.00 0.00 C ATOM 1504 CD GLN A 98 -0.673 8.475 6.307 1.00 0.00 C ATOM 1505 OE1 GLN A 98 -1.186 8.935 5.300 1.00 0.00 O ATOM 1506 NE2 GLN A 98 -0.631 9.109 7.476 1.00 0.00 N ATOM 0 H GLN A 98 0.104 5.087 2.697 1.00 0.00 H new ATOM 0 HA GLN A 98 0.910 4.676 5.518 1.00 0.00 H new ATOM 0 HB2 GLN A 98 1.326 6.956 4.638 1.00 0.00 H new ATOM 0 HB3 GLN A 98 -0.364 7.096 4.195 1.00 0.00 H new ATOM 0 HG2 GLN A 98 -0.681 6.374 6.797 1.00 0.00 H new ATOM 0 HG3 GLN A 98 0.896 7.128 6.922 1.00 0.00 H new ATOM 0 HE21 GLN A 98 -0.186 8.667 8.280 1.00 0.00 H new ATOM 0 HE22 GLN A 98 -1.044 10.037 7.568 1.00 0.00 H new ATOM 1515 N ALA A 99 -1.270 3.745 6.101 1.00 0.00 N ATOM 1516 CA ALA A 99 -2.551 3.197 6.516 1.00 0.00 C ATOM 1517 C ALA A 99 -3.252 4.195 7.440 1.00 0.00 C ATOM 1518 O ALA A 99 -2.648 5.176 7.872 1.00 0.00 O ATOM 1519 CB ALA A 99 -2.333 1.838 7.182 1.00 0.00 C ATOM 0 H ALA A 99 -0.468 3.401 6.629 1.00 0.00 H new ATOM 0 HA ALA A 99 -3.198 3.036 5.654 1.00 0.00 H new ATOM 0 HB1 ALA A 99 -3.293 1.427 7.493 1.00 0.00 H new ATOM 0 HB2 ALA A 99 -1.859 1.158 6.474 1.00 0.00 H new ATOM 0 HB3 ALA A 99 -1.690 1.959 8.054 1.00 0.00 H new ATOM 1525 N LYS A 100 -4.516 3.909 7.717 1.00 0.00 N ATOM 1526 CA LYS A 100 -5.305 4.769 8.582 1.00 0.00 C ATOM 1527 C LYS A 100 -4.711 4.750 9.992 1.00 0.00 C ATOM 1528 O LYS A 100 -4.743 5.758 10.697 1.00 0.00 O ATOM 1529 CB LYS A 100 -6.781 4.370 8.532 1.00 0.00 C ATOM 1530 CG LYS A 100 -7.118 3.373 9.642 1.00 0.00 C ATOM 1531 CD LYS A 100 -8.431 2.645 9.346 1.00 0.00 C ATOM 1532 CE LYS A 100 -8.601 1.428 10.257 1.00 0.00 C ATOM 1533 NZ LYS A 100 -10.032 1.196 10.551 1.00 0.00 N ATOM 0 H LYS A 100 -5.013 3.094 7.358 1.00 0.00 H new ATOM 0 HA LYS A 100 -5.265 5.801 8.232 1.00 0.00 H new ATOM 0 HB2 LYS A 100 -7.405 5.258 8.634 1.00 0.00 H new ATOM 0 HB3 LYS A 100 -7.010 3.930 7.561 1.00 0.00 H new ATOM 0 HG2 LYS A 100 -6.310 2.648 9.742 1.00 0.00 H new ATOM 0 HG3 LYS A 100 -7.195 3.897 10.595 1.00 0.00 H new ATOM 0 HD2 LYS A 100 -9.269 3.328 9.486 1.00 0.00 H new ATOM 0 HD3 LYS A 100 -8.448 2.328 8.303 1.00 0.00 H new ATOM 0 HE2 LYS A 100 -8.174 0.546 9.779 1.00 0.00 H new ATOM 0 HE3 LYS A 100 -8.053 1.583 11.187 1.00 0.00 H new ATOM 0 HZ1 LYS A 100 -10.129 0.366 11.170 1.00 0.00 H new ATOM 0 HZ2 LYS A 100 -10.429 2.032 11.027 1.00 0.00 H new ATOM 0 HZ3 LYS A 100 -10.546 1.027 9.663 1.00 0.00 H new ATOM 1547 N ASP A 101 -4.182 3.593 10.361 1.00 0.00 N ATOM 1548 CA ASP A 101 -3.581 3.429 11.674 1.00 0.00 C ATOM 1549 C ASP A 101 -2.758 2.139 11.697 1.00 0.00 C ATOM 1550 O ASP A 101 -2.679 1.432 10.694 1.00 0.00 O ATOM 1551 CB ASP A 101 -4.653 3.326 12.761 1.00 0.00 C ATOM 1552 CG ASP A 101 -5.478 4.596 12.979 1.00 0.00 C ATOM 1553 OD1 ASP A 101 -4.887 5.579 13.476 1.00 0.00 O ATOM 1554 OD2 ASP A 101 -6.681 4.555 12.643 1.00 0.00 O ATOM 0 H ASP A 101 -4.157 2.760 9.774 1.00 0.00 H new ATOM 0 HA ASP A 101 -2.953 4.298 11.868 1.00 0.00 H new ATOM 0 HB2 ASP A 101 -5.330 2.511 12.506 1.00 0.00 H new ATOM 0 HB3 ASP A 101 -4.171 3.058 13.701 1.00 0.00 H new ATOM 1559 N GLU A 102 -2.167 1.873 12.852 1.00 0.00 N ATOM 1560 CA GLU A 102 -1.353 0.681 13.019 1.00 0.00 C ATOM 1561 C GLU A 102 -2.138 -0.561 12.591 1.00 0.00 C ATOM 1562 O GLU A 102 -1.568 -1.499 12.034 1.00 0.00 O ATOM 1563 CB GLU A 102 -0.863 0.549 14.462 1.00 0.00 C ATOM 1564 CG GLU A 102 0.141 1.652 14.803 1.00 0.00 C ATOM 1565 CD GLU A 102 1.060 1.222 15.948 1.00 0.00 C ATOM 1566 OE1 GLU A 102 1.536 0.068 15.891 1.00 0.00 O ATOM 1567 OE2 GLU A 102 1.266 2.058 16.855 1.00 0.00 O ATOM 0 H GLU A 102 -2.235 2.462 13.682 1.00 0.00 H new ATOM 0 HA GLU A 102 -0.475 0.771 12.379 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -1.712 0.601 15.144 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -0.399 -0.427 14.604 1.00 0.00 H new ATOM 0 HG2 GLU A 102 0.738 1.890 13.923 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -0.392 2.561 15.082 1.00 0.00 H new ATOM 1574 N ALA A 103 -3.433 -0.528 12.866 1.00 0.00 N ATOM 1575 CA ALA A 103 -4.302 -1.639 12.517 1.00 0.00 C ATOM 1576 C ALA A 103 -4.267 -1.851 11.002 1.00 0.00 C ATOM 1577 O ALA A 103 -3.711 -2.838 10.522 1.00 0.00 O ATOM 1578 CB ALA A 103 -5.715 -1.365 13.035 1.00 0.00 C ATOM 0 H ALA A 103 -3.902 0.251 13.327 1.00 0.00 H new ATOM 0 HA ALA A 103 -3.956 -2.559 12.987 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -6.367 -2.199 12.773 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.690 -1.251 14.119 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.097 -0.450 12.583 1.00 0.00 H new ATOM 1584 N GLU A 104 -4.867 -0.908 10.291 1.00 0.00 N ATOM 1585 CA GLU A 104 -4.912 -0.979 8.840 1.00 0.00 C ATOM 1586 C GLU A 104 -3.530 -1.328 8.283 1.00 0.00 C ATOM 1587 O GLU A 104 -3.409 -2.170 7.395 1.00 0.00 O ATOM 1588 CB GLU A 104 -5.429 0.331 8.243 1.00 0.00 C ATOM 1589 CG GLU A 104 -5.574 0.221 6.723 1.00 0.00 C ATOM 1590 CD GLU A 104 -7.048 0.204 6.313 1.00 0.00 C ATOM 1591 OE1 GLU A 104 -7.650 -0.887 6.404 1.00 0.00 O ATOM 1592 OE2 GLU A 104 -7.539 1.284 5.918 1.00 0.00 O ATOM 0 H GLU A 104 -5.326 -0.090 10.692 1.00 0.00 H new ATOM 0 HA GLU A 104 -5.607 -1.769 8.555 1.00 0.00 H new ATOM 0 HB2 GLU A 104 -6.392 0.582 8.687 1.00 0.00 H new ATOM 0 HB3 GLU A 104 -4.744 1.142 8.489 1.00 0.00 H new ATOM 0 HG2 GLU A 104 -5.069 1.060 6.244 1.00 0.00 H new ATOM 0 HG3 GLU A 104 -5.085 -0.688 6.372 1.00 0.00 H new ATOM 1599 N MET A 105 -2.522 -0.662 8.828 1.00 0.00 N ATOM 1600 CA MET A 105 -1.154 -0.891 8.397 1.00 0.00 C ATOM 1601 C MET A 105 -0.718 -2.328 8.694 1.00 0.00 C ATOM 1602 O MET A 105 -0.518 -3.122 7.777 1.00 0.00 O ATOM 1603 CB MET A 105 -0.221 0.085 9.117 1.00 0.00 C ATOM 1604 CG MET A 105 1.107 0.226 8.370 1.00 0.00 C ATOM 1605 SD MET A 105 2.367 0.837 9.477 1.00 0.00 S ATOM 1606 CE MET A 105 2.938 -0.703 10.176 1.00 0.00 C ATOM 0 H MET A 105 -2.626 0.036 9.564 1.00 0.00 H new ATOM 0 HA MET A 105 -1.101 -0.731 7.320 1.00 0.00 H new ATOM 0 HB2 MET A 105 -0.702 1.060 9.199 1.00 0.00 H new ATOM 0 HB3 MET A 105 -0.036 -0.265 10.132 1.00 0.00 H new ATOM 0 HG2 MET A 105 1.408 -0.738 7.960 1.00 0.00 H new ATOM 0 HG3 MET A 105 0.989 0.908 7.528 1.00 0.00 H new ATOM 0 HE1 MET A 105 3.890 -0.542 10.681 1.00 0.00 H new ATOM 0 HE2 MET A 105 2.204 -1.071 10.893 1.00 0.00 H new ATOM 0 HE3 MET A 105 3.068 -1.437 9.381 1.00 0.00 H new ATOM 1616 N SER A 106 -0.584 -2.617 9.980 1.00 0.00 N ATOM 1617 CA SER A 106 -0.176 -3.944 10.410 1.00 0.00 C ATOM 1618 C SER A 106 -0.892 -5.008 9.575 1.00 0.00 C ATOM 1619 O SER A 106 -0.272 -5.972 9.128 1.00 0.00 O ATOM 1620 CB SER A 106 -0.464 -4.154 11.898 1.00 0.00 C ATOM 1621 OG SER A 106 -0.156 -5.480 12.319 1.00 0.00 O ATOM 0 H SER A 106 -0.751 -1.955 10.738 1.00 0.00 H new ATOM 0 HA SER A 106 0.900 -4.036 10.260 1.00 0.00 H new ATOM 0 HB2 SER A 106 0.118 -3.443 12.484 1.00 0.00 H new ATOM 0 HB3 SER A 106 -1.515 -3.945 12.097 1.00 0.00 H new ATOM 0 HG SER A 106 -0.352 -5.574 13.275 1.00 0.00 H new ATOM 1627 N SER A 107 -2.187 -4.796 9.391 1.00 0.00 N ATOM 1628 CA SER A 107 -2.994 -5.725 8.618 1.00 0.00 C ATOM 1629 C SER A 107 -2.410 -5.881 7.212 1.00 0.00 C ATOM 1630 O SER A 107 -2.120 -6.994 6.777 1.00 0.00 O ATOM 1631 CB SER A 107 -4.449 -5.258 8.540 1.00 0.00 C ATOM 1632 OG SER A 107 -5.337 -6.171 9.178 1.00 0.00 O ATOM 0 H SER A 107 -2.697 -3.995 9.764 1.00 0.00 H new ATOM 0 HA SER A 107 -2.978 -6.692 9.120 1.00 0.00 H new ATOM 0 HB2 SER A 107 -4.541 -4.277 9.007 1.00 0.00 H new ATOM 0 HB3 SER A 107 -4.737 -5.142 7.495 1.00 0.00 H new ATOM 0 HG SER A 107 -6.256 -5.837 9.108 1.00 0.00 H new ATOM 1638 N TRP A 108 -2.256 -4.749 6.541 1.00 0.00 N ATOM 1639 CA TRP A 108 -1.712 -4.746 5.194 1.00 0.00 C ATOM 1640 C TRP A 108 -0.551 -5.742 5.150 1.00 0.00 C ATOM 1641 O TRP A 108 -0.625 -6.758 4.461 1.00 0.00 O ATOM 1642 CB TRP A 108 -1.305 -3.334 4.770 1.00 0.00 C ATOM 1643 CG TRP A 108 -2.423 -2.542 4.089 1.00 0.00 C ATOM 1644 CD1 TRP A 108 -3.101 -1.491 4.571 1.00 0.00 C ATOM 1645 CD2 TRP A 108 -2.968 -2.781 2.774 1.00 0.00 C ATOM 1646 NE1 TRP A 108 -4.040 -1.038 3.667 1.00 0.00 N ATOM 1647 CE2 TRP A 108 -3.956 -1.847 2.539 1.00 0.00 C ATOM 1648 CE3 TRP A 108 -2.637 -3.754 1.815 1.00 0.00 C ATOM 1649 CZ2 TRP A 108 -4.694 -1.794 1.351 1.00 0.00 C ATOM 1650 CZ3 TRP A 108 -3.384 -3.688 0.633 1.00 0.00 C ATOM 1651 CH2 TRP A 108 -4.382 -2.754 0.381 1.00 0.00 C ATOM 0 H TRP A 108 -2.499 -3.828 6.905 1.00 0.00 H new ATOM 0 HA TRP A 108 -2.467 -5.060 4.473 1.00 0.00 H new ATOM 0 HB2 TRP A 108 -0.968 -2.785 5.649 1.00 0.00 H new ATOM 0 HB3 TRP A 108 -0.455 -3.400 4.091 1.00 0.00 H new ATOM 0 HD1 TRP A 108 -2.933 -1.054 5.544 1.00 0.00 H new ATOM 0 HE1 TRP A 108 -4.678 -0.254 3.801 1.00 0.00 H new ATOM 0 HE3 TRP A 108 -1.867 -4.494 1.977 1.00 0.00 H new ATOM 0 HZ2 TRP A 108 -5.463 -1.052 1.191 1.00 0.00 H new ATOM 0 HZ3 TRP A 108 -3.170 -4.414 -0.137 1.00 0.00 H new ATOM 0 HH2 TRP A 108 -4.914 -2.769 -0.559 1.00 0.00 H new ATOM 1662 N LEU A 109 0.495 -5.415 5.895 1.00 0.00 N ATOM 1663 CA LEU A 109 1.670 -6.267 5.950 1.00 0.00 C ATOM 1664 C LEU A 109 1.230 -7.730 6.026 1.00 0.00 C ATOM 1665 O LEU A 109 1.611 -8.542 5.184 1.00 0.00 O ATOM 1666 CB LEU A 109 2.589 -5.840 7.097 1.00 0.00 C ATOM 1667 CG LEU A 109 3.507 -4.650 6.813 1.00 0.00 C ATOM 1668 CD1 LEU A 109 4.794 -5.103 6.122 1.00 0.00 C ATOM 1669 CD2 LEU A 109 2.775 -3.571 6.012 1.00 0.00 C ATOM 0 H LEU A 109 0.553 -4.571 6.465 1.00 0.00 H new ATOM 0 HA LEU A 109 2.262 -6.159 5.041 1.00 0.00 H new ATOM 0 HB2 LEU A 109 1.970 -5.598 7.961 1.00 0.00 H new ATOM 0 HB3 LEU A 109 3.208 -6.692 7.377 1.00 0.00 H new ATOM 0 HG LEU A 109 3.793 -4.205 7.766 1.00 0.00 H new ATOM 0 HD11 LEU A 109 5.429 -4.238 5.932 1.00 0.00 H new ATOM 0 HD12 LEU A 109 5.323 -5.807 6.764 1.00 0.00 H new ATOM 0 HD13 LEU A 109 4.548 -5.588 5.177 1.00 0.00 H new ATOM 0 HD21 LEU A 109 3.450 -2.736 5.824 1.00 0.00 H new ATOM 0 HD22 LEU A 109 2.440 -3.988 5.062 1.00 0.00 H new ATOM 0 HD23 LEU A 109 1.913 -3.219 6.579 1.00 0.00 H new ATOM 1681 N ARG A 110 0.435 -8.024 7.044 1.00 0.00 N ATOM 1682 CA ARG A 110 -0.061 -9.375 7.242 1.00 0.00 C ATOM 1683 C ARG A 110 -0.675 -9.910 5.946 1.00 0.00 C ATOM 1684 O ARG A 110 -0.549 -11.094 5.638 1.00 0.00 O ATOM 1685 CB ARG A 110 -1.112 -9.419 8.352 1.00 0.00 C ATOM 1686 CG ARG A 110 -1.864 -10.752 8.343 1.00 0.00 C ATOM 1687 CD ARG A 110 -2.828 -10.846 9.527 1.00 0.00 C ATOM 1688 NE ARG A 110 -3.132 -12.264 9.821 1.00 0.00 N ATOM 1689 CZ ARG A 110 -4.082 -12.974 9.198 1.00 0.00 C ATOM 1690 NH1 ARG A 110 -4.827 -12.401 8.242 1.00 0.00 N ATOM 1691 NH2 ARG A 110 -4.288 -14.255 9.530 1.00 0.00 N ATOM 0 H ARG A 110 0.122 -7.349 7.741 1.00 0.00 H new ATOM 0 HA ARG A 110 0.784 -9.999 7.533 1.00 0.00 H new ATOM 0 HB2 ARG A 110 -0.631 -9.276 9.319 1.00 0.00 H new ATOM 0 HB3 ARG A 110 -1.818 -8.598 8.222 1.00 0.00 H new ATOM 0 HG2 ARG A 110 -2.418 -10.855 7.410 1.00 0.00 H new ATOM 0 HG3 ARG A 110 -1.151 -11.576 8.383 1.00 0.00 H new ATOM 0 HD2 ARG A 110 -2.388 -10.371 10.404 1.00 0.00 H new ATOM 0 HD3 ARG A 110 -3.748 -10.308 9.301 1.00 0.00 H new ATOM 0 HE ARG A 110 -2.584 -12.730 10.544 1.00 0.00 H new ATOM 0 HH11 ARG A 110 -4.670 -11.425 7.990 1.00 0.00 H new ATOM 0 HH12 ARG A 110 -5.551 -12.941 7.767 1.00 0.00 H new ATOM 0 HH21 ARG A 110 -3.721 -14.691 10.258 1.00 0.00 H new ATOM 0 HH22 ARG A 110 -5.012 -14.795 9.055 1.00 0.00 H new ATOM 1705 N VAL A 111 -1.326 -9.011 5.223 1.00 0.00 N ATOM 1706 CA VAL A 111 -1.960 -9.377 3.968 1.00 0.00 C ATOM 1707 C VAL A 111 -0.896 -9.472 2.872 1.00 0.00 C ATOM 1708 O VAL A 111 -0.715 -10.528 2.268 1.00 0.00 O ATOM 1709 CB VAL A 111 -3.075 -8.383 3.634 1.00 0.00 C ATOM 1710 CG1 VAL A 111 -3.967 -8.916 2.511 1.00 0.00 C ATOM 1711 CG2 VAL A 111 -3.900 -8.047 4.878 1.00 0.00 C ATOM 0 H VAL A 111 -1.428 -8.030 5.482 1.00 0.00 H new ATOM 0 HA VAL A 111 -2.431 -10.357 4.050 1.00 0.00 H new ATOM 0 HB VAL A 111 -2.609 -7.462 3.282 1.00 0.00 H new ATOM 0 HG11 VAL A 111 -4.751 -8.190 2.294 1.00 0.00 H new ATOM 0 HG12 VAL A 111 -3.366 -9.081 1.616 1.00 0.00 H new ATOM 0 HG13 VAL A 111 -4.420 -9.857 2.822 1.00 0.00 H new ATOM 0 HG21 VAL A 111 -4.685 -7.339 4.613 1.00 0.00 H new ATOM 0 HG22 VAL A 111 -4.350 -8.958 5.273 1.00 0.00 H new ATOM 0 HG23 VAL A 111 -3.253 -7.605 5.635 1.00 0.00 H new ATOM 1721 N VAL A 112 -0.221 -8.354 2.650 1.00 0.00 N ATOM 1722 CA VAL A 112 0.820 -8.298 1.638 1.00 0.00 C ATOM 1723 C VAL A 112 1.733 -9.517 1.783 1.00 0.00 C ATOM 1724 O VAL A 112 2.107 -10.139 0.789 1.00 0.00 O ATOM 1725 CB VAL A 112 1.576 -6.971 1.737 1.00 0.00 C ATOM 1726 CG1 VAL A 112 2.688 -6.893 0.689 1.00 0.00 C ATOM 1727 CG2 VAL A 112 0.618 -5.784 1.610 1.00 0.00 C ATOM 0 H VAL A 112 -0.375 -7.480 3.153 1.00 0.00 H new ATOM 0 HA VAL A 112 0.384 -8.335 0.640 1.00 0.00 H new ATOM 0 HB VAL A 112 2.041 -6.923 2.722 1.00 0.00 H new ATOM 0 HG11 VAL A 112 3.209 -5.940 0.782 1.00 0.00 H new ATOM 0 HG12 VAL A 112 3.393 -7.709 0.846 1.00 0.00 H new ATOM 0 HG13 VAL A 112 2.255 -6.974 -0.308 1.00 0.00 H new ATOM 0 HG21 VAL A 112 1.180 -4.853 1.684 1.00 0.00 H new ATOM 0 HG22 VAL A 112 0.112 -5.827 0.646 1.00 0.00 H new ATOM 0 HG23 VAL A 112 -0.121 -5.826 2.410 1.00 0.00 H new ATOM 1737 N ASN A 113 2.065 -9.823 3.028 1.00 0.00 N ATOM 1738 CA ASN A 113 2.927 -10.957 3.316 1.00 0.00 C ATOM 1739 C ASN A 113 2.195 -12.252 2.956 1.00 0.00 C ATOM 1740 O ASN A 113 2.807 -13.200 2.465 1.00 0.00 O ATOM 1741 CB ASN A 113 3.285 -11.014 4.802 1.00 0.00 C ATOM 1742 CG ASN A 113 4.618 -10.314 5.072 1.00 0.00 C ATOM 1743 OD1 ASN A 113 5.670 -10.728 4.613 1.00 0.00 O ATOM 1744 ND2 ASN A 113 4.516 -9.233 5.840 1.00 0.00 N ATOM 0 H ASN A 113 1.753 -9.305 3.850 1.00 0.00 H new ATOM 0 HA ASN A 113 3.839 -10.845 2.730 1.00 0.00 H new ATOM 0 HB2 ASN A 113 2.497 -10.541 5.388 1.00 0.00 H new ATOM 0 HB3 ASN A 113 3.344 -12.053 5.126 1.00 0.00 H new ATOM 0 HD21 ASN A 113 5.350 -8.696 6.078 1.00 0.00 H new ATOM 0 HD22 ASN A 113 3.604 -8.941 6.191 1.00 0.00 H new ATOM 1751 N ALA A 114 0.896 -12.252 3.215 1.00 0.00 N ATOM 1752 CA ALA A 114 0.074 -13.415 2.925 1.00 0.00 C ATOM 1753 C ALA A 114 0.019 -13.630 1.411 1.00 0.00 C ATOM 1754 O ALA A 114 -0.316 -14.718 0.947 1.00 0.00 O ATOM 1755 CB ALA A 114 -1.314 -13.225 3.538 1.00 0.00 C ATOM 0 H ALA A 114 0.392 -11.465 3.623 1.00 0.00 H new ATOM 0 HA ALA A 114 0.506 -14.311 3.370 1.00 0.00 H new ATOM 0 HB1 ALA A 114 -1.930 -14.097 3.320 1.00 0.00 H new ATOM 0 HB2 ALA A 114 -1.222 -13.106 4.618 1.00 0.00 H new ATOM 0 HB3 ALA A 114 -1.781 -12.336 3.114 1.00 0.00 H new ATOM 1761 N ALA A 115 0.352 -12.574 0.683 1.00 0.00 N ATOM 1762 CA ALA A 115 0.345 -12.633 -0.769 1.00 0.00 C ATOM 1763 C ALA A 115 1.729 -13.056 -1.265 1.00 0.00 C ATOM 1764 O ALA A 115 1.843 -13.816 -2.225 1.00 0.00 O ATOM 1765 CB ALA A 115 -0.088 -11.279 -1.333 1.00 0.00 C ATOM 0 H ALA A 115 0.628 -11.672 1.072 1.00 0.00 H new ATOM 0 HA ALA A 115 -0.372 -13.376 -1.119 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -0.093 -11.323 -2.422 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.089 -11.039 -0.975 1.00 0.00 H new ATOM 0 HB3 ALA A 115 0.609 -10.508 -1.005 1.00 0.00 H new ATOM 1771 N ILE A 116 2.747 -12.546 -0.587 1.00 0.00 N ATOM 1772 CA ILE A 116 4.119 -12.861 -0.947 1.00 0.00 C ATOM 1773 C ILE A 116 4.402 -14.329 -0.622 1.00 0.00 C ATOM 1774 O ILE A 116 5.125 -15.002 -1.354 1.00 0.00 O ATOM 1775 CB ILE A 116 5.086 -11.884 -0.276 1.00 0.00 C ATOM 1776 CG1 ILE A 116 4.867 -10.458 -0.786 1.00 0.00 C ATOM 1777 CG2 ILE A 116 6.536 -12.340 -0.454 1.00 0.00 C ATOM 1778 CD1 ILE A 116 5.188 -9.431 0.302 1.00 0.00 C ATOM 0 H ILE A 116 2.649 -11.917 0.210 1.00 0.00 H new ATOM 0 HA ILE A 116 4.271 -12.737 -2.019 1.00 0.00 H new ATOM 0 HB ILE A 116 4.879 -11.878 0.794 1.00 0.00 H new ATOM 0 HG12 ILE A 116 5.497 -10.279 -1.657 1.00 0.00 H new ATOM 0 HG13 ILE A 116 3.833 -10.339 -1.110 1.00 0.00 H new ATOM 0 HG21 ILE A 116 7.203 -11.628 0.032 1.00 0.00 H new ATOM 0 HG22 ILE A 116 6.666 -13.324 -0.004 1.00 0.00 H new ATOM 0 HG23 ILE A 116 6.773 -12.392 -1.517 1.00 0.00 H new ATOM 0 HD11 ILE A 116 5.024 -8.426 -0.087 1.00 0.00 H new ATOM 0 HD12 ILE A 116 4.540 -9.598 1.162 1.00 0.00 H new ATOM 0 HD13 ILE A 116 6.229 -9.537 0.606 1.00 0.00 H new ATOM 1790 N ALA A 117 3.819 -14.781 0.479 1.00 0.00 N ATOM 1791 CA ALA A 117 4.000 -16.156 0.910 1.00 0.00 C ATOM 1792 C ALA A 117 3.289 -17.092 -0.070 1.00 0.00 C ATOM 1793 O ALA A 117 3.866 -18.082 -0.517 1.00 0.00 O ATOM 1794 CB ALA A 117 3.486 -16.314 2.343 1.00 0.00 C ATOM 0 H ALA A 117 3.221 -14.219 1.085 1.00 0.00 H new ATOM 0 HA ALA A 117 5.057 -16.421 0.911 1.00 0.00 H new ATOM 0 HB1 ALA A 117 3.622 -17.346 2.667 1.00 0.00 H new ATOM 0 HB2 ALA A 117 4.043 -15.650 3.004 1.00 0.00 H new ATOM 0 HB3 ALA A 117 2.427 -16.059 2.380 1.00 0.00 H new ATOM 1800 N SER A 118 2.048 -16.745 -0.375 1.00 0.00 N ATOM 1801 CA SER A 118 1.252 -17.541 -1.294 1.00 0.00 C ATOM 1802 C SER A 118 1.382 -16.986 -2.714 1.00 0.00 C ATOM 1803 O SER A 118 0.390 -16.874 -3.434 1.00 0.00 O ATOM 1804 CB SER A 118 -0.217 -17.570 -0.868 1.00 0.00 C ATOM 1805 OG SER A 118 -0.498 -18.661 0.004 1.00 0.00 O ATOM 0 H SER A 118 1.573 -15.923 -0.002 1.00 0.00 H new ATOM 0 HA SER A 118 1.628 -18.564 -1.274 1.00 0.00 H new ATOM 0 HB2 SER A 118 -0.469 -16.634 -0.370 1.00 0.00 H new ATOM 0 HB3 SER A 118 -0.850 -17.641 -1.753 1.00 0.00 H new ATOM 0 HG SER A 118 -1.445 -18.644 0.255 1.00 0.00 H new ATOM 1811 N GLY A 119 2.613 -16.653 -3.075 1.00 0.00 N ATOM 1812 CA GLY A 119 2.885 -16.113 -4.396 1.00 0.00 C ATOM 1813 C GLY A 119 3.113 -17.235 -5.411 1.00 0.00 C ATOM 1814 O GLY A 119 2.742 -18.382 -5.167 1.00 0.00 O ATOM 0 H GLY A 119 3.433 -16.747 -2.475 1.00 0.00 H new ATOM 0 HA2 GLY A 119 2.050 -15.491 -4.718 1.00 0.00 H new ATOM 0 HA3 GLY A 119 3.764 -15.470 -4.356 1.00 0.00 H new ATOM 1818 N PRO A 120 3.737 -16.855 -6.558 1.00 0.00 N ATOM 1819 CA PRO A 120 4.019 -17.816 -7.611 1.00 0.00 C ATOM 1820 C PRO A 120 5.194 -18.718 -7.229 1.00 0.00 C ATOM 1821 O PRO A 120 5.925 -18.425 -6.285 1.00 0.00 O ATOM 1822 CB PRO A 120 4.293 -16.975 -8.847 1.00 0.00 C ATOM 1823 CG PRO A 120 4.611 -15.578 -8.340 1.00 0.00 C ATOM 1824 CD PRO A 120 4.190 -15.505 -6.881 1.00 0.00 C ATOM 0 HA PRO A 120 3.191 -18.502 -7.788 1.00 0.00 H new ATOM 0 HB2 PRO A 120 5.127 -17.382 -9.419 1.00 0.00 H new ATOM 0 HB3 PRO A 120 3.428 -16.962 -9.510 1.00 0.00 H new ATOM 0 HG2 PRO A 120 5.676 -15.368 -8.441 1.00 0.00 H new ATOM 0 HG3 PRO A 120 4.081 -14.829 -8.928 1.00 0.00 H new ATOM 0 HD2 PRO A 120 5.021 -15.203 -6.244 1.00 0.00 H new ATOM 0 HD3 PRO A 120 3.394 -14.775 -6.734 1.00 0.00 H new ATOM 1832 N SER A 121 5.339 -19.798 -7.984 1.00 0.00 N ATOM 1833 CA SER A 121 6.413 -20.745 -7.737 1.00 0.00 C ATOM 1834 C SER A 121 6.218 -21.413 -6.374 1.00 0.00 C ATOM 1835 O SER A 121 6.769 -20.959 -5.372 1.00 0.00 O ATOM 1836 CB SER A 121 7.778 -20.059 -7.801 1.00 0.00 C ATOM 1837 OG SER A 121 8.061 -19.553 -9.103 1.00 0.00 O ATOM 0 H SER A 121 4.731 -20.038 -8.767 1.00 0.00 H new ATOM 0 HA SER A 121 6.383 -21.507 -8.516 1.00 0.00 H new ATOM 0 HB2 SER A 121 7.807 -19.242 -7.080 1.00 0.00 H new ATOM 0 HB3 SER A 121 8.554 -20.768 -7.511 1.00 0.00 H new ATOM 0 HG SER A 121 8.941 -19.121 -9.102 1.00 0.00 H new ATOM 1843 N SER A 122 5.432 -22.479 -6.380 1.00 0.00 N ATOM 1844 CA SER A 122 5.158 -23.214 -5.157 1.00 0.00 C ATOM 1845 C SER A 122 5.646 -24.658 -5.293 1.00 0.00 C ATOM 1846 O SER A 122 6.247 -25.021 -6.303 1.00 0.00 O ATOM 1847 CB SER A 122 3.665 -23.187 -4.821 1.00 0.00 C ATOM 1848 OG SER A 122 2.912 -24.050 -5.669 1.00 0.00 O ATOM 0 H SER A 122 4.976 -22.852 -7.213 1.00 0.00 H new ATOM 0 HA SER A 122 5.695 -22.732 -4.340 1.00 0.00 H new ATOM 0 HB2 SER A 122 3.522 -23.484 -3.782 1.00 0.00 H new ATOM 0 HB3 SER A 122 3.290 -22.168 -4.916 1.00 0.00 H new ATOM 0 HG SER A 122 1.965 -24.006 -5.422 1.00 0.00 H new ATOM 1854 N GLY A 123 5.368 -25.442 -4.262 1.00 0.00 N ATOM 1855 CA GLY A 123 5.771 -26.838 -4.254 1.00 0.00 C ATOM 1856 C GLY A 123 4.687 -27.718 -3.628 1.00 0.00 C ATOM 1857 O GLY A 123 4.902 -28.321 -2.578 1.00 0.00 O ATOM 0 H GLY A 123 4.869 -25.137 -3.426 1.00 0.00 H new ATOM 0 HA2 GLY A 123 5.969 -27.169 -5.273 1.00 0.00 H new ATOM 0 HA3 GLY A 123 6.701 -26.949 -3.696 1.00 0.00 H new TER 1861 GLY A 123