USER MOD reduce.3.24.130724 H: found=0, std=0, add=751, rem=0, adj=22 USER MOD reduce.3.24.130724 removed 743 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 57 ASN : amide:sc= 0.647 K(o=1.2,f=0.6) USER MOD Set 1.2: A 59 MET CE :methyl -178:sc= 0 (180deg=-0.00741) USER MOD Set 1.3: A 75 TYR OH : rot 30:sc= 0.576 USER MOD Set 2.1: A 12 TYR OH : rot 180:sc= 0.81 USER MOD Set 2.2: A 20 LYS NZ :NH3+ -171:sc= 2.19 (180deg=1.2) USER MOD Set 3.1: A 6 HIS : no HD1:sc= 0.79 K(o=1.8,f=-5.1!) USER MOD Set 3.2: A 21 THR OG1 : rot -125:sc= 0.988 USER MOD Set 4.1: A 4 HIS : no HE2:sc= 0.00747 K(o=0.0075,f=-0.74) USER MOD Set 4.2: A 23 SER OG : rot 180:sc= 0 USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 135:sc= 0.0184 (180deg=0) USER MOD Single : A 3 HIS : no HE2:sc= 0.72 K(o=0.72,f=-2.4!) USER MOD Single : A 5 HIS : no HE2:sc= 0.792 K(o=0.79,f=-2.7!) USER MOD Single : A 7 HIS : no HD1:sc= -0.201 X(o=-0.2,f=-0.2) USER MOD Single : A 8 HIS : no HE2:sc= 0.857 K(o=0.86,f=-9.3!) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0376 USER MOD Single : A 24 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 33 HIS : no HE2:sc= 0.717 K(o=0.72,f=-2.2!) USER MOD Single : A 43 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 51 HIS : no HE2:sc= 0.362 K(o=0.36,f=-6.9!) USER MOD Single : A 62 ASN : amide:sc= -0.0457 K(o=-0.046,f=-0.56) USER MOD Single : A 65 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 THR OG1 : rot 180:sc= 0.447 USER MOD Single : A 70 LYS NZ :NH3+ 159:sc= 1.23 (180deg=0.996) USER MOD Single : A 78 ASN : amide:sc= -0.0517 K(o=-0.052,f=-5.4) USER MOD Single : A 81 ASN : amide:sc= 1.57 K(o=1.6,f=-0.41) USER MOD Single : A 82 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 SER OG : rot 180:sc= 0 USER MOD Single : A 94 THR OG1 : rot 180:sc= 0.0917 USER MOD Single : A 95 SER OG : rot 84:sc= 1.24 USER MOD Single : A 96 ASN : amide:sc= 0 X(o=0,f=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -10.730 -7.415 -19.457 1.00 0.00 N ATOM 2 CA MET A 1 -11.311 -7.359 -18.092 1.00 0.00 C ATOM 3 C MET A 1 -11.933 -8.717 -17.743 1.00 0.00 C ATOM 4 O MET A 1 -12.591 -9.330 -18.588 1.00 0.00 O ATOM 5 CB MET A 1 -12.324 -6.199 -17.967 1.00 0.00 C ATOM 6 CG MET A 1 -12.815 -5.966 -16.530 1.00 0.00 C ATOM 7 SD MET A 1 -13.761 -4.429 -16.324 1.00 0.00 S ATOM 8 CE MET A 1 -14.000 -4.425 -14.526 1.00 0.00 C ATOM 0 H1 MET A 1 -10.997 -6.559 -19.983 1.00 0.00 H new ATOM 0 H2 MET A 1 -9.694 -7.472 -19.391 1.00 0.00 H new ATOM 0 H3 MET A 1 -11.092 -8.254 -19.954 1.00 0.00 H new ATOM 0 HA MET A 1 -10.520 -7.155 -17.370 1.00 0.00 H new ATOM 0 HB2 MET A 1 -11.863 -5.283 -18.338 1.00 0.00 H new ATOM 0 HB3 MET A 1 -13.182 -6.406 -18.607 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.436 -6.809 -16.226 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.955 -5.946 -15.860 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.567 -3.540 -14.236 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.547 -5.320 -14.230 1.00 0.00 H new ATOM 0 HE3 MET A 1 -13.029 -4.412 -14.030 1.00 0.00 H new ATOM 20 N GLY A 2 -11.726 -9.213 -16.517 1.00 0.00 N ATOM 21 CA GLY A 2 -12.174 -10.542 -16.105 1.00 0.00 C ATOM 22 C GLY A 2 -12.000 -10.763 -14.606 1.00 0.00 C ATOM 23 O GLY A 2 -11.572 -9.858 -13.889 1.00 0.00 O ATOM 0 H GLY A 2 -11.240 -8.699 -15.782 1.00 0.00 H new ATOM 0 HA2 GLY A 2 -13.223 -10.670 -16.371 1.00 0.00 H new ATOM 0 HA3 GLY A 2 -11.612 -11.300 -16.651 1.00 0.00 H new ATOM 27 N HIS A 3 -12.312 -11.977 -14.144 1.00 0.00 N ATOM 28 CA HIS A 3 -12.424 -12.353 -12.730 1.00 0.00 C ATOM 29 C HIS A 3 -11.131 -12.141 -11.918 1.00 0.00 C ATOM 30 O HIS A 3 -11.193 -12.047 -10.691 1.00 0.00 O ATOM 31 CB HIS A 3 -12.904 -13.818 -12.658 1.00 0.00 C ATOM 32 CG HIS A 3 -13.565 -14.236 -11.362 1.00 0.00 C ATOM 33 ND1 HIS A 3 -13.188 -13.890 -10.084 1.00 0.00 N ATOM 34 CD2 HIS A 3 -14.651 -15.066 -11.242 1.00 0.00 C ATOM 35 CE1 HIS A 3 -14.023 -14.485 -9.217 1.00 0.00 C ATOM 36 NE2 HIS A 3 -14.939 -15.219 -9.877 1.00 0.00 N ATOM 0 H HIS A 3 -12.502 -12.759 -14.771 1.00 0.00 H new ATOM 0 HA HIS A 3 -13.149 -11.687 -12.262 1.00 0.00 H new ATOM 0 HB2 HIS A 3 -13.607 -13.990 -13.473 1.00 0.00 H new ATOM 0 HB3 HIS A 3 -12.048 -14.469 -12.833 1.00 0.00 H new ATOM 0 HD1 HIS A 3 -12.406 -13.284 -9.837 1.00 0.00 H new ATOM 0 HD2 HIS A 3 -15.191 -15.523 -12.058 1.00 0.00 H new ATOM 0 HE1 HIS A 3 -13.968 -14.389 -8.143 1.00 0.00 H new ATOM 44 N HIS A 4 -9.966 -12.043 -12.568 1.00 0.00 N ATOM 45 CA HIS A 4 -8.685 -11.754 -11.914 1.00 0.00 C ATOM 46 C HIS A 4 -7.972 -10.576 -12.600 1.00 0.00 C ATOM 47 O HIS A 4 -6.782 -10.336 -12.386 1.00 0.00 O ATOM 48 CB HIS A 4 -7.842 -13.039 -11.873 1.00 0.00 C ATOM 49 CG HIS A 4 -6.850 -13.065 -10.737 1.00 0.00 C ATOM 50 ND1 HIS A 4 -5.693 -12.327 -10.642 1.00 0.00 N ATOM 51 CD2 HIS A 4 -6.954 -13.798 -9.584 1.00 0.00 C ATOM 52 CE1 HIS A 4 -5.126 -12.597 -9.460 1.00 0.00 C ATOM 53 NE2 HIS A 4 -5.851 -13.500 -8.775 1.00 0.00 N ATOM 0 H HIS A 4 -9.885 -12.164 -13.578 1.00 0.00 H new ATOM 0 HA HIS A 4 -8.850 -11.436 -10.885 1.00 0.00 H new ATOM 0 HB2 HIS A 4 -8.506 -13.899 -11.786 1.00 0.00 H new ATOM 0 HB3 HIS A 4 -7.306 -13.144 -12.817 1.00 0.00 H new ATOM 0 HD1 HIS A 4 -5.331 -11.686 -11.348 1.00 0.00 H new ATOM 0 HD2 HIS A 4 -7.750 -14.487 -9.341 1.00 0.00 H new ATOM 0 HE1 HIS A 4 -4.210 -12.150 -9.104 1.00 0.00 H new ATOM 61 N HIS A 5 -8.694 -9.843 -13.451 1.00 0.00 N ATOM 62 CA HIS A 5 -8.221 -8.741 -14.280 1.00 0.00 C ATOM 63 C HIS A 5 -9.306 -7.661 -14.217 1.00 0.00 C ATOM 64 O HIS A 5 -9.854 -7.245 -15.241 1.00 0.00 O ATOM 65 CB HIS A 5 -7.945 -9.218 -15.723 1.00 0.00 C ATOM 66 CG HIS A 5 -6.753 -10.127 -15.931 1.00 0.00 C ATOM 67 ND1 HIS A 5 -5.812 -10.515 -15.001 1.00 0.00 N ATOM 68 CD2 HIS A 5 -6.383 -10.693 -17.123 1.00 0.00 C ATOM 69 CE1 HIS A 5 -4.912 -11.301 -15.610 1.00 0.00 C ATOM 70 NE2 HIS A 5 -5.214 -11.440 -16.915 1.00 0.00 N ATOM 0 H HIS A 5 -9.690 -10.018 -13.585 1.00 0.00 H new ATOM 0 HA HIS A 5 -7.273 -8.342 -13.920 1.00 0.00 H new ATOM 0 HB2 HIS A 5 -8.833 -9.737 -16.084 1.00 0.00 H new ATOM 0 HB3 HIS A 5 -7.813 -8.337 -16.351 1.00 0.00 H new ATOM 0 HD1 HIS A 5 -5.802 -10.249 -14.016 1.00 0.00 H new ATOM 0 HD2 HIS A 5 -6.903 -10.583 -18.063 1.00 0.00 H new ATOM 0 HE1 HIS A 5 -4.064 -11.758 -15.122 1.00 0.00 H new ATOM 78 N HIS A 6 -9.708 -7.285 -13.001 1.00 0.00 N ATOM 79 CA HIS A 6 -10.657 -6.208 -12.762 1.00 0.00 C ATOM 80 C HIS A 6 -9.989 -4.883 -13.150 1.00 0.00 C ATOM 81 O HIS A 6 -9.302 -4.265 -12.334 1.00 0.00 O ATOM 82 CB HIS A 6 -11.120 -6.219 -11.298 1.00 0.00 C ATOM 83 CG HIS A 6 -11.945 -7.427 -10.925 1.00 0.00 C ATOM 84 ND1 HIS A 6 -11.512 -8.533 -10.226 1.00 0.00 N ATOM 85 CD2 HIS A 6 -13.282 -7.607 -11.169 1.00 0.00 C ATOM 86 CE1 HIS A 6 -12.563 -9.349 -10.045 1.00 0.00 C ATOM 87 NE2 HIS A 6 -13.671 -8.830 -10.605 1.00 0.00 N ATOM 0 H HIS A 6 -9.375 -7.730 -12.146 1.00 0.00 H new ATOM 0 HA HIS A 6 -11.551 -6.341 -13.372 1.00 0.00 H new ATOM 0 HB2 HIS A 6 -10.244 -6.175 -10.650 1.00 0.00 H new ATOM 0 HB3 HIS A 6 -11.704 -5.319 -11.105 1.00 0.00 H new ATOM 0 HD2 HIS A 6 -13.925 -6.924 -11.704 1.00 0.00 H new ATOM 0 HE1 HIS A 6 -12.524 -10.293 -9.522 1.00 0.00 H new ATOM 0 HE2 HIS A 6 -14.604 -9.242 -10.617 1.00 0.00 H new ATOM 95 N HIS A 7 -10.141 -4.479 -14.412 1.00 0.00 N ATOM 96 CA HIS A 7 -9.620 -3.225 -14.944 1.00 0.00 C ATOM 97 C HIS A 7 -10.169 -2.026 -14.157 1.00 0.00 C ATOM 98 O HIS A 7 -11.203 -2.119 -13.497 1.00 0.00 O ATOM 99 CB HIS A 7 -9.967 -3.132 -16.441 1.00 0.00 C ATOM 100 CG HIS A 7 -9.257 -2.018 -17.171 1.00 0.00 C ATOM 101 ND1 HIS A 7 -7.937 -2.017 -17.570 1.00 0.00 N ATOM 102 CD2 HIS A 7 -9.800 -0.827 -17.576 1.00 0.00 C ATOM 103 CE1 HIS A 7 -7.696 -0.860 -18.208 1.00 0.00 C ATOM 104 NE2 HIS A 7 -8.800 -0.090 -18.224 1.00 0.00 N ATOM 0 H HIS A 7 -10.643 -5.031 -15.108 1.00 0.00 H new ATOM 0 HA HIS A 7 -8.536 -3.203 -14.834 1.00 0.00 H new ATOM 0 HB2 HIS A 7 -9.721 -4.080 -16.919 1.00 0.00 H new ATOM 0 HB3 HIS A 7 -11.043 -2.992 -16.545 1.00 0.00 H new ATOM 0 HD2 HIS A 7 -10.821 -0.511 -17.422 1.00 0.00 H new ATOM 0 HE1 HIS A 7 -6.748 -0.586 -18.647 1.00 0.00 H new ATOM 0 HE2 HIS A 7 -8.890 0.843 -18.627 1.00 0.00 H new ATOM 112 N HIS A 8 -9.500 -0.878 -14.286 1.00 0.00 N ATOM 113 CA HIS A 8 -9.737 0.395 -13.590 1.00 0.00 C ATOM 114 C HIS A 8 -11.070 1.088 -13.951 1.00 0.00 C ATOM 115 O HIS A 8 -11.242 2.283 -13.690 1.00 0.00 O ATOM 116 CB HIS A 8 -8.570 1.330 -13.941 1.00 0.00 C ATOM 117 CG HIS A 8 -7.212 0.674 -13.860 1.00 0.00 C ATOM 118 ND1 HIS A 8 -6.534 0.328 -12.715 1.00 0.00 N ATOM 119 CD2 HIS A 8 -6.458 0.251 -14.919 1.00 0.00 C ATOM 120 CE1 HIS A 8 -5.403 -0.299 -13.079 1.00 0.00 C ATOM 121 NE2 HIS A 8 -5.312 -0.378 -14.419 1.00 0.00 N ATOM 0 H HIS A 8 -8.714 -0.806 -14.932 1.00 0.00 H new ATOM 0 HA HIS A 8 -9.803 0.177 -12.524 1.00 0.00 H new ATOM 0 HB2 HIS A 8 -8.717 1.715 -14.950 1.00 0.00 H new ATOM 0 HB3 HIS A 8 -8.589 2.187 -13.268 1.00 0.00 H new ATOM 0 HD1 HIS A 8 -6.836 0.514 -11.759 1.00 0.00 H new ATOM 0 HD2 HIS A 8 -6.704 0.380 -15.963 1.00 0.00 H new ATOM 0 HE1 HIS A 8 -4.667 -0.687 -12.390 1.00 0.00 H new ATOM 129 N LEU A 9 -11.967 0.373 -14.628 1.00 0.00 N ATOM 130 CA LEU A 9 -13.240 0.844 -15.161 1.00 0.00 C ATOM 131 C LEU A 9 -14.108 1.474 -14.062 1.00 0.00 C ATOM 132 O LEU A 9 -14.019 1.102 -12.890 1.00 0.00 O ATOM 133 CB LEU A 9 -13.943 -0.349 -15.842 1.00 0.00 C ATOM 134 CG LEU A 9 -15.236 -0.022 -16.620 1.00 0.00 C ATOM 135 CD1 LEU A 9 -15.008 1.006 -17.738 1.00 0.00 C ATOM 136 CD2 LEU A 9 -15.792 -1.305 -17.247 1.00 0.00 C ATOM 0 H LEU A 9 -11.812 -0.615 -14.831 1.00 0.00 H new ATOM 0 HA LEU A 9 -13.070 1.631 -15.896 1.00 0.00 H new ATOM 0 HB2 LEU A 9 -13.238 -0.816 -16.530 1.00 0.00 H new ATOM 0 HB3 LEU A 9 -14.180 -1.089 -15.078 1.00 0.00 H new ATOM 0 HG LEU A 9 -15.939 0.406 -15.906 1.00 0.00 H new ATOM 0 HD11 LEU A 9 -15.949 1.199 -18.252 1.00 0.00 H new ATOM 0 HD12 LEU A 9 -14.633 1.934 -17.308 1.00 0.00 H new ATOM 0 HD13 LEU A 9 -14.280 0.615 -18.449 1.00 0.00 H new ATOM 0 HD21 LEU A 9 -16.705 -1.075 -17.797 1.00 0.00 H new ATOM 0 HD22 LEU A 9 -15.054 -1.726 -17.930 1.00 0.00 H new ATOM 0 HD23 LEU A 9 -16.013 -2.028 -16.461 1.00 0.00 H new ATOM 148 N ASP A 10 -14.993 2.390 -14.467 1.00 0.00 N ATOM 149 CA ASP A 10 -15.901 3.172 -13.614 1.00 0.00 C ATOM 150 C ASP A 10 -16.866 2.322 -12.767 1.00 0.00 C ATOM 151 O ASP A 10 -17.570 2.851 -11.905 1.00 0.00 O ATOM 152 CB ASP A 10 -16.680 4.150 -14.506 1.00 0.00 C ATOM 153 CG ASP A 10 -17.553 5.130 -13.701 1.00 0.00 C ATOM 154 OD1 ASP A 10 -16.999 5.964 -12.948 1.00 0.00 O ATOM 155 OD2 ASP A 10 -18.793 5.123 -13.871 1.00 0.00 O ATOM 0 H ASP A 10 -15.103 2.621 -15.454 1.00 0.00 H new ATOM 0 HA ASP A 10 -15.286 3.704 -12.888 1.00 0.00 H new ATOM 0 HB2 ASP A 10 -15.977 4.716 -15.117 1.00 0.00 H new ATOM 0 HB3 ASP A 10 -17.313 3.585 -15.190 1.00 0.00 H new ATOM 160 N SER A 11 -16.886 1.001 -12.968 1.00 0.00 N ATOM 161 CA SER A 11 -17.570 0.019 -12.134 1.00 0.00 C ATOM 162 C SER A 11 -17.218 0.141 -10.639 1.00 0.00 C ATOM 163 O SER A 11 -17.999 -0.305 -9.795 1.00 0.00 O ATOM 164 CB SER A 11 -17.227 -1.386 -12.647 1.00 0.00 C ATOM 165 OG SER A 11 -17.288 -1.440 -14.067 1.00 0.00 O ATOM 0 H SER A 11 -16.401 0.571 -13.756 1.00 0.00 H new ATOM 0 HA SER A 11 -18.641 0.209 -12.209 1.00 0.00 H new ATOM 0 HB2 SER A 11 -16.228 -1.666 -12.312 1.00 0.00 H new ATOM 0 HB3 SER A 11 -17.921 -2.111 -12.222 1.00 0.00 H new ATOM 0 HG SER A 11 -17.064 -2.345 -14.370 1.00 0.00 H new ATOM 171 N TYR A 12 -16.078 0.756 -10.300 1.00 0.00 N ATOM 172 CA TYR A 12 -15.717 1.134 -8.940 1.00 0.00 C ATOM 173 C TYR A 12 -15.008 2.495 -8.967 1.00 0.00 C ATOM 174 O TYR A 12 -14.600 2.978 -10.029 1.00 0.00 O ATOM 175 CB TYR A 12 -14.858 0.045 -8.271 1.00 0.00 C ATOM 176 CG TYR A 12 -13.401 0.006 -8.697 1.00 0.00 C ATOM 177 CD1 TYR A 12 -13.044 -0.545 -9.942 1.00 0.00 C ATOM 178 CD2 TYR A 12 -12.398 0.514 -7.846 1.00 0.00 C ATOM 179 CE1 TYR A 12 -11.698 -0.580 -10.341 1.00 0.00 C ATOM 180 CE2 TYR A 12 -11.048 0.477 -8.238 1.00 0.00 C ATOM 181 CZ TYR A 12 -10.693 -0.061 -9.496 1.00 0.00 C ATOM 182 OH TYR A 12 -9.389 -0.127 -9.892 1.00 0.00 O ATOM 0 H TYR A 12 -15.367 1.008 -10.986 1.00 0.00 H new ATOM 0 HA TYR A 12 -16.620 1.227 -8.336 1.00 0.00 H new ATOM 0 HB2 TYR A 12 -14.899 0.188 -7.191 1.00 0.00 H new ATOM 0 HB3 TYR A 12 -15.306 -0.926 -8.481 1.00 0.00 H new ATOM 0 HD1 TYR A 12 -13.808 -0.943 -10.593 1.00 0.00 H new ATOM 0 HD2 TYR A 12 -12.668 0.934 -6.888 1.00 0.00 H new ATOM 0 HE1 TYR A 12 -11.431 -1.005 -11.297 1.00 0.00 H new ATOM 0 HE2 TYR A 12 -10.283 0.859 -7.578 1.00 0.00 H new ATOM 0 HH TYR A 12 -8.817 0.272 -9.203 1.00 0.00 H new ATOM 192 N ALA A 13 -14.866 3.107 -7.788 1.00 0.00 N ATOM 193 CA ALA A 13 -14.279 4.429 -7.583 1.00 0.00 C ATOM 194 C ALA A 13 -13.432 4.573 -6.300 1.00 0.00 C ATOM 195 O ALA A 13 -12.563 5.451 -6.310 1.00 0.00 O ATOM 196 CB ALA A 13 -15.396 5.482 -7.591 1.00 0.00 C ATOM 0 H ALA A 13 -15.170 2.675 -6.916 1.00 0.00 H new ATOM 0 HA ALA A 13 -13.581 4.580 -8.406 1.00 0.00 H new ATOM 0 HB1 ALA A 13 -14.965 6.471 -7.438 1.00 0.00 H new ATOM 0 HB2 ALA A 13 -15.914 5.456 -8.550 1.00 0.00 H new ATOM 0 HB3 ALA A 13 -16.104 5.268 -6.790 1.00 0.00 H new ATOM 202 N PRO A 14 -13.622 3.796 -5.206 1.00 0.00 N ATOM 203 CA PRO A 14 -12.759 3.871 -4.028 1.00 0.00 C ATOM 204 C PRO A 14 -11.263 3.754 -4.338 1.00 0.00 C ATOM 205 O PRO A 14 -10.850 3.194 -5.357 1.00 0.00 O ATOM 206 CB PRO A 14 -13.220 2.751 -3.093 1.00 0.00 C ATOM 207 CG PRO A 14 -14.710 2.663 -3.396 1.00 0.00 C ATOM 208 CD PRO A 14 -14.745 2.911 -4.903 1.00 0.00 C ATOM 0 HA PRO A 14 -12.856 4.857 -3.573 1.00 0.00 H new ATOM 0 HB2 PRO A 14 -12.707 1.812 -3.301 1.00 0.00 H new ATOM 0 HB3 PRO A 14 -13.032 2.992 -2.047 1.00 0.00 H new ATOM 0 HG2 PRO A 14 -15.123 1.689 -3.134 1.00 0.00 H new ATOM 0 HG3 PRO A 14 -15.283 3.410 -2.846 1.00 0.00 H new ATOM 0 HD2 PRO A 14 -14.659 1.973 -5.452 1.00 0.00 H new ATOM 0 HD3 PRO A 14 -15.689 3.368 -5.199 1.00 0.00 H new ATOM 216 N ARG A 15 -10.439 4.280 -3.429 1.00 0.00 N ATOM 217 CA ARG A 15 -8.979 4.280 -3.555 1.00 0.00 C ATOM 218 C ARG A 15 -8.264 3.953 -2.244 1.00 0.00 C ATOM 219 O ARG A 15 -7.050 3.773 -2.254 1.00 0.00 O ATOM 220 CB ARG A 15 -8.480 5.593 -4.203 1.00 0.00 C ATOM 221 CG ARG A 15 -8.665 6.899 -3.402 1.00 0.00 C ATOM 222 CD ARG A 15 -10.107 7.370 -3.153 1.00 0.00 C ATOM 223 NE ARG A 15 -10.929 7.404 -4.383 1.00 0.00 N ATOM 224 CZ ARG A 15 -11.669 8.428 -4.833 1.00 0.00 C ATOM 225 NH1 ARG A 15 -11.648 9.616 -4.235 1.00 0.00 N ATOM 226 NH2 ARG A 15 -12.435 8.241 -5.901 1.00 0.00 N ATOM 0 H ARG A 15 -10.771 4.724 -2.573 1.00 0.00 H new ATOM 0 HA ARG A 15 -8.715 3.465 -4.229 1.00 0.00 H new ATOM 0 HB2 ARG A 15 -7.418 5.479 -4.419 1.00 0.00 H new ATOM 0 HB3 ARG A 15 -8.989 5.710 -5.160 1.00 0.00 H new ATOM 0 HG2 ARG A 15 -8.178 6.774 -2.435 1.00 0.00 H new ATOM 0 HG3 ARG A 15 -8.135 7.695 -3.925 1.00 0.00 H new ATOM 0 HD2 ARG A 15 -10.578 6.708 -2.427 1.00 0.00 H new ATOM 0 HD3 ARG A 15 -10.086 8.366 -2.710 1.00 0.00 H new ATOM 0 HE ARG A 15 -10.933 6.556 -4.950 1.00 0.00 H new ATOM 0 HH11 ARG A 15 -11.060 9.764 -3.415 1.00 0.00 H new ATOM 0 HH12 ARG A 15 -12.220 10.379 -4.597 1.00 0.00 H new ATOM 0 HH21 ARG A 15 -12.453 7.332 -6.363 1.00 0.00 H new ATOM 0 HH22 ARG A 15 -13.006 9.007 -6.260 1.00 0.00 H new ATOM 240 N ALA A 16 -9.000 3.815 -1.141 1.00 0.00 N ATOM 241 CA ALA A 16 -8.483 3.421 0.155 1.00 0.00 C ATOM 242 C ALA A 16 -9.538 2.548 0.833 1.00 0.00 C ATOM 243 O ALA A 16 -10.727 2.691 0.539 1.00 0.00 O ATOM 244 CB ALA A 16 -8.193 4.673 0.996 1.00 0.00 C ATOM 0 H ALA A 16 -10.006 3.982 -1.133 1.00 0.00 H new ATOM 0 HA ALA A 16 -7.553 2.862 0.049 1.00 0.00 H new ATOM 0 HB1 ALA A 16 -7.804 4.375 1.970 1.00 0.00 H new ATOM 0 HB2 ALA A 16 -7.456 5.292 0.485 1.00 0.00 H new ATOM 0 HB3 ALA A 16 -9.113 5.242 1.131 1.00 0.00 H new ATOM 250 N GLU A 17 -9.097 1.673 1.744 1.00 0.00 N ATOM 251 CA GLU A 17 -9.918 0.631 2.363 1.00 0.00 C ATOM 252 C GLU A 17 -10.649 -0.173 1.274 1.00 0.00 C ATOM 253 O GLU A 17 -11.854 -0.426 1.355 1.00 0.00 O ATOM 254 CB GLU A 17 -10.828 1.214 3.464 1.00 0.00 C ATOM 255 CG GLU A 17 -10.030 1.885 4.593 1.00 0.00 C ATOM 256 CD GLU A 17 -10.955 2.367 5.725 1.00 0.00 C ATOM 257 OE1 GLU A 17 -11.434 3.524 5.680 1.00 0.00 O ATOM 258 OE2 GLU A 17 -11.198 1.603 6.687 1.00 0.00 O ATOM 0 H GLU A 17 -8.133 1.672 2.079 1.00 0.00 H new ATOM 0 HA GLU A 17 -9.283 -0.083 2.888 1.00 0.00 H new ATOM 0 HB2 GLU A 17 -11.508 1.942 3.021 1.00 0.00 H new ATOM 0 HB3 GLU A 17 -11.443 0.417 3.882 1.00 0.00 H new ATOM 0 HG2 GLU A 17 -9.300 1.181 4.993 1.00 0.00 H new ATOM 0 HG3 GLU A 17 -9.471 2.731 4.193 1.00 0.00 H new ATOM 265 N ALA A 18 -9.905 -0.534 0.222 1.00 0.00 N ATOM 266 CA ALA A 18 -10.397 -1.208 -0.971 1.00 0.00 C ATOM 267 C ALA A 18 -9.393 -2.288 -1.372 1.00 0.00 C ATOM 268 O ALA A 18 -8.232 -2.249 -0.954 1.00 0.00 O ATOM 269 CB ALA A 18 -10.598 -0.179 -2.091 1.00 0.00 C ATOM 0 H ALA A 18 -8.902 -0.354 0.184 1.00 0.00 H new ATOM 0 HA ALA A 18 -11.359 -1.683 -0.778 1.00 0.00 H new ATOM 0 HB1 ALA A 18 -10.966 -0.682 -2.985 1.00 0.00 H new ATOM 0 HB2 ALA A 18 -11.323 0.570 -1.771 1.00 0.00 H new ATOM 0 HB3 ALA A 18 -9.648 0.307 -2.313 1.00 0.00 H new ATOM 275 N GLU A 19 -9.842 -3.252 -2.175 1.00 0.00 N ATOM 276 CA GLU A 19 -9.107 -4.469 -2.492 1.00 0.00 C ATOM 277 C GLU A 19 -9.325 -4.812 -3.968 1.00 0.00 C ATOM 278 O GLU A 19 -10.427 -4.614 -4.488 1.00 0.00 O ATOM 279 CB GLU A 19 -9.614 -5.582 -1.556 1.00 0.00 C ATOM 280 CG GLU A 19 -8.877 -6.919 -1.694 1.00 0.00 C ATOM 281 CD GLU A 19 -9.434 -7.957 -0.705 1.00 0.00 C ATOM 282 OE1 GLU A 19 -9.170 -7.839 0.513 1.00 0.00 O ATOM 283 OE2 GLU A 19 -10.134 -8.901 -1.141 1.00 0.00 O ATOM 0 H GLU A 19 -10.752 -3.204 -2.634 1.00 0.00 H new ATOM 0 HA GLU A 19 -8.035 -4.347 -2.340 1.00 0.00 H new ATOM 0 HB2 GLU A 19 -9.527 -5.239 -0.525 1.00 0.00 H new ATOM 0 HB3 GLU A 19 -10.674 -5.745 -1.749 1.00 0.00 H new ATOM 0 HG2 GLU A 19 -8.978 -7.291 -2.713 1.00 0.00 H new ATOM 0 HG3 GLU A 19 -7.812 -6.772 -1.512 1.00 0.00 H new ATOM 290 N LYS A 20 -8.286 -5.318 -4.641 1.00 0.00 N ATOM 291 CA LYS A 20 -8.278 -5.582 -6.081 1.00 0.00 C ATOM 292 C LYS A 20 -7.429 -6.813 -6.383 1.00 0.00 C ATOM 293 O LYS A 20 -6.434 -7.057 -5.698 1.00 0.00 O ATOM 294 CB LYS A 20 -7.641 -4.385 -6.816 1.00 0.00 C ATOM 295 CG LYS A 20 -8.466 -3.087 -6.851 1.00 0.00 C ATOM 296 CD LYS A 20 -9.805 -3.183 -7.604 1.00 0.00 C ATOM 297 CE LYS A 20 -9.714 -3.736 -9.036 1.00 0.00 C ATOM 298 NZ LYS A 20 -8.804 -2.967 -9.921 1.00 0.00 N ATOM 0 H LYS A 20 -7.406 -5.561 -4.186 1.00 0.00 H new ATOM 0 HA LYS A 20 -9.305 -5.741 -6.410 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -6.681 -4.167 -6.347 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -7.433 -4.686 -7.843 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -8.665 -2.774 -5.826 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -7.863 -2.304 -7.312 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -10.482 -3.816 -7.030 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -10.253 -2.190 -7.643 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -9.375 -4.771 -8.994 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -10.711 -3.744 -9.476 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -8.909 -3.300 -10.901 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -9.044 -1.956 -9.872 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -7.821 -3.105 -9.612 1.00 0.00 H new ATOM 312 N THR A 21 -7.807 -7.567 -7.413 1.00 0.00 N ATOM 313 CA THR A 21 -6.994 -8.639 -7.976 1.00 0.00 C ATOM 314 C THR A 21 -5.891 -7.989 -8.821 1.00 0.00 C ATOM 315 O THR A 21 -6.172 -7.014 -9.526 1.00 0.00 O ATOM 316 CB THR A 21 -7.886 -9.536 -8.853 1.00 0.00 C ATOM 317 OG1 THR A 21 -8.695 -8.749 -9.717 1.00 0.00 O ATOM 318 CG2 THR A 21 -8.829 -10.400 -8.015 1.00 0.00 C ATOM 0 H THR A 21 -8.702 -7.447 -7.887 1.00 0.00 H new ATOM 0 HA THR A 21 -6.549 -9.253 -7.193 1.00 0.00 H new ATOM 0 HB THR A 21 -7.209 -10.174 -9.422 1.00 0.00 H new ATOM 0 HG1 THR A 21 -9.638 -8.983 -9.586 1.00 0.00 H new ATOM 0 HG21 THR A 21 -9.440 -11.017 -8.674 1.00 0.00 H new ATOM 0 HG22 THR A 21 -8.245 -11.042 -7.356 1.00 0.00 H new ATOM 0 HG23 THR A 21 -9.476 -9.758 -7.417 1.00 0.00 H new ATOM 326 N PHE A 22 -4.674 -8.536 -8.815 1.00 0.00 N ATOM 327 CA PHE A 22 -3.590 -8.104 -9.691 1.00 0.00 C ATOM 328 C PHE A 22 -2.773 -9.317 -10.131 1.00 0.00 C ATOM 329 O PHE A 22 -2.672 -10.309 -9.406 1.00 0.00 O ATOM 330 CB PHE A 22 -2.673 -7.099 -8.974 1.00 0.00 C ATOM 331 CG PHE A 22 -3.314 -5.779 -8.582 1.00 0.00 C ATOM 332 CD1 PHE A 22 -3.819 -4.910 -9.570 1.00 0.00 C ATOM 333 CD2 PHE A 22 -3.378 -5.401 -7.229 1.00 0.00 C ATOM 334 CE1 PHE A 22 -4.387 -3.675 -9.205 1.00 0.00 C ATOM 335 CE2 PHE A 22 -3.926 -4.158 -6.866 1.00 0.00 C ATOM 336 CZ PHE A 22 -4.432 -3.294 -7.853 1.00 0.00 C ATOM 0 H PHE A 22 -4.413 -9.301 -8.193 1.00 0.00 H new ATOM 0 HA PHE A 22 -4.025 -7.615 -10.563 1.00 0.00 H new ATOM 0 HB2 PHE A 22 -2.281 -7.572 -8.074 1.00 0.00 H new ATOM 0 HB3 PHE A 22 -1.821 -6.889 -9.620 1.00 0.00 H new ATOM 0 HD1 PHE A 22 -3.770 -5.193 -10.611 1.00 0.00 H new ATOM 0 HD2 PHE A 22 -3.005 -6.068 -6.466 1.00 0.00 H new ATOM 0 HE1 PHE A 22 -4.788 -3.020 -9.964 1.00 0.00 H new ATOM 0 HE2 PHE A 22 -3.958 -3.866 -5.827 1.00 0.00 H new ATOM 0 HZ PHE A 22 -4.854 -2.340 -7.573 1.00 0.00 H new ATOM 346 N SER A 23 -2.148 -9.186 -11.297 1.00 0.00 N ATOM 347 CA SER A 23 -1.150 -10.083 -11.863 1.00 0.00 C ATOM 348 C SER A 23 -0.141 -9.190 -12.606 1.00 0.00 C ATOM 349 O SER A 23 -0.365 -7.979 -12.709 1.00 0.00 O ATOM 350 CB SER A 23 -1.813 -11.092 -12.813 1.00 0.00 C ATOM 351 OG SER A 23 -2.909 -11.768 -12.207 1.00 0.00 O ATOM 0 H SER A 23 -2.340 -8.395 -11.912 1.00 0.00 H new ATOM 0 HA SER A 23 -0.650 -10.668 -11.091 1.00 0.00 H new ATOM 0 HB2 SER A 23 -2.159 -10.572 -13.706 1.00 0.00 H new ATOM 0 HB3 SER A 23 -1.072 -11.823 -13.136 1.00 0.00 H new ATOM 0 HG SER A 23 -3.300 -12.398 -12.848 1.00 0.00 H new ATOM 357 N TYR A 24 0.951 -9.750 -13.136 1.00 0.00 N ATOM 358 CA TYR A 24 2.058 -8.977 -13.703 1.00 0.00 C ATOM 359 C TYR A 24 2.524 -9.620 -15.022 1.00 0.00 C ATOM 360 O TYR A 24 2.250 -10.808 -15.225 1.00 0.00 O ATOM 361 CB TYR A 24 3.194 -8.917 -12.668 1.00 0.00 C ATOM 362 CG TYR A 24 2.779 -8.353 -11.321 1.00 0.00 C ATOM 363 CD1 TYR A 24 2.517 -6.976 -11.181 1.00 0.00 C ATOM 364 CD2 TYR A 24 2.597 -9.216 -10.225 1.00 0.00 C ATOM 365 CE1 TYR A 24 2.048 -6.467 -9.957 1.00 0.00 C ATOM 366 CE2 TYR A 24 2.123 -8.718 -8.998 1.00 0.00 C ATOM 367 CZ TYR A 24 1.837 -7.338 -8.863 1.00 0.00 C ATOM 368 OH TYR A 24 1.356 -6.835 -7.693 1.00 0.00 O ATOM 0 H TYR A 24 1.092 -10.759 -13.183 1.00 0.00 H new ATOM 0 HA TYR A 24 1.738 -7.960 -13.931 1.00 0.00 H new ATOM 0 HB2 TYR A 24 3.591 -9.922 -12.522 1.00 0.00 H new ATOM 0 HB3 TYR A 24 4.005 -8.309 -13.070 1.00 0.00 H new ATOM 0 HD1 TYR A 24 2.677 -6.310 -12.016 1.00 0.00 H new ATOM 0 HD2 TYR A 24 2.823 -10.267 -10.326 1.00 0.00 H new ATOM 0 HE1 TYR A 24 1.849 -5.411 -9.852 1.00 0.00 H new ATOM 0 HE2 TYR A 24 1.978 -9.386 -8.162 1.00 0.00 H new ATOM 0 HH TYR A 24 1.265 -7.559 -7.039 1.00 0.00 H new ATOM 378 N PRO A 25 3.234 -8.899 -15.917 1.00 0.00 N ATOM 379 CA PRO A 25 3.559 -7.472 -15.847 1.00 0.00 C ATOM 380 C PRO A 25 2.302 -6.593 -15.934 1.00 0.00 C ATOM 381 O PRO A 25 1.265 -7.017 -16.452 1.00 0.00 O ATOM 382 CB PRO A 25 4.517 -7.211 -17.015 1.00 0.00 C ATOM 383 CG PRO A 25 4.133 -8.275 -18.040 1.00 0.00 C ATOM 384 CD PRO A 25 3.731 -9.462 -17.166 1.00 0.00 C ATOM 0 HA PRO A 25 4.017 -7.217 -14.891 1.00 0.00 H new ATOM 0 HB2 PRO A 25 4.395 -6.205 -17.417 1.00 0.00 H new ATOM 0 HB3 PRO A 25 5.559 -7.307 -16.708 1.00 0.00 H new ATOM 0 HG2 PRO A 25 3.312 -7.945 -18.676 1.00 0.00 H new ATOM 0 HG3 PRO A 25 4.966 -8.522 -18.698 1.00 0.00 H new ATOM 0 HD2 PRO A 25 2.964 -10.063 -17.655 1.00 0.00 H new ATOM 0 HD3 PRO A 25 4.582 -10.118 -16.985 1.00 0.00 H new ATOM 392 N LEU A 26 2.392 -5.377 -15.390 1.00 0.00 N ATOM 393 CA LEU A 26 1.286 -4.435 -15.234 1.00 0.00 C ATOM 394 C LEU A 26 1.878 -3.025 -15.112 1.00 0.00 C ATOM 395 O LEU A 26 3.031 -2.877 -14.702 1.00 0.00 O ATOM 396 CB LEU A 26 0.497 -4.828 -13.967 1.00 0.00 C ATOM 397 CG LEU A 26 -0.775 -4.018 -13.665 1.00 0.00 C ATOM 398 CD1 LEU A 26 -1.801 -4.074 -14.801 1.00 0.00 C ATOM 399 CD2 LEU A 26 -1.431 -4.538 -12.381 1.00 0.00 C ATOM 0 H LEU A 26 3.274 -5.009 -15.033 1.00 0.00 H new ATOM 0 HA LEU A 26 0.607 -4.456 -16.087 1.00 0.00 H new ATOM 0 HB2 LEU A 26 0.219 -5.879 -14.052 1.00 0.00 H new ATOM 0 HB3 LEU A 26 1.165 -4.743 -13.110 1.00 0.00 H new ATOM 0 HG LEU A 26 -0.464 -2.980 -13.550 1.00 0.00 H new ATOM 0 HD11 LEU A 26 -2.677 -3.484 -14.530 1.00 0.00 H new ATOM 0 HD12 LEU A 26 -1.358 -3.669 -15.711 1.00 0.00 H new ATOM 0 HD13 LEU A 26 -2.099 -5.108 -14.971 1.00 0.00 H new ATOM 0 HD21 LEU A 26 -2.331 -3.960 -12.173 1.00 0.00 H new ATOM 0 HD22 LEU A 26 -1.695 -5.588 -12.507 1.00 0.00 H new ATOM 0 HD23 LEU A 26 -0.734 -4.436 -11.549 1.00 0.00 H new ATOM 411 N ASP A 27 1.103 -1.993 -15.459 1.00 0.00 N ATOM 412 CA ASP A 27 1.528 -0.591 -15.345 1.00 0.00 C ATOM 413 C ASP A 27 1.699 -0.154 -13.881 1.00 0.00 C ATOM 414 O ASP A 27 2.564 0.667 -13.568 1.00 0.00 O ATOM 415 CB ASP A 27 0.504 0.313 -16.035 1.00 0.00 C ATOM 416 CG ASP A 27 0.890 1.794 -15.902 1.00 0.00 C ATOM 417 OD1 ASP A 27 1.842 2.236 -16.584 1.00 0.00 O ATOM 418 OD2 ASP A 27 0.208 2.513 -15.141 1.00 0.00 O ATOM 0 H ASP A 27 0.159 -2.105 -15.829 1.00 0.00 H new ATOM 0 HA ASP A 27 2.499 -0.500 -15.831 1.00 0.00 H new ATOM 0 HB2 ASP A 27 0.432 0.047 -17.090 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -0.481 0.151 -15.598 1.00 0.00 H new ATOM 423 N LEU A 28 0.892 -0.729 -12.980 1.00 0.00 N ATOM 424 CA LEU A 28 0.992 -0.543 -11.535 1.00 0.00 C ATOM 425 C LEU A 28 2.374 -1.001 -11.050 1.00 0.00 C ATOM 426 O LEU A 28 2.855 -2.053 -11.478 1.00 0.00 O ATOM 427 CB LEU A 28 -0.103 -1.380 -10.846 1.00 0.00 C ATOM 428 CG LEU A 28 -0.327 -1.011 -9.367 1.00 0.00 C ATOM 429 CD1 LEU A 28 -1.198 0.245 -9.247 1.00 0.00 C ATOM 430 CD2 LEU A 28 -1.012 -2.171 -8.641 1.00 0.00 C ATOM 0 H LEU A 28 0.131 -1.353 -13.249 1.00 0.00 H new ATOM 0 HA LEU A 28 0.860 0.511 -11.289 1.00 0.00 H new ATOM 0 HB2 LEU A 28 -1.040 -1.253 -11.389 1.00 0.00 H new ATOM 0 HB3 LEU A 28 0.163 -2.435 -10.912 1.00 0.00 H new ATOM 0 HG LEU A 28 0.644 -0.812 -8.913 1.00 0.00 H new ATOM 0 HD11 LEU A 28 -1.344 0.488 -8.194 1.00 0.00 H new ATOM 0 HD12 LEU A 28 -0.705 1.079 -9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 28 -2.166 0.063 -9.714 1.00 0.00 H new ATOM 0 HD21 LEU A 28 -1.168 -1.905 -7.596 1.00 0.00 H new ATOM 0 HD22 LEU A 28 -1.974 -2.377 -9.110 1.00 0.00 H new ATOM 0 HD23 LEU A 28 -0.383 -3.059 -8.699 1.00 0.00 H new ATOM 442 N LEU A 29 2.981 -0.268 -10.115 1.00 0.00 N ATOM 443 CA LEU A 29 4.233 -0.649 -9.463 1.00 0.00 C ATOM 444 C LEU A 29 4.200 -0.144 -8.022 1.00 0.00 C ATOM 445 O LEU A 29 3.533 0.851 -7.735 1.00 0.00 O ATOM 446 CB LEU A 29 5.422 -0.060 -10.251 1.00 0.00 C ATOM 447 CG LEU A 29 6.825 -0.478 -9.762 1.00 0.00 C ATOM 448 CD1 LEU A 29 7.026 -2.000 -9.765 1.00 0.00 C ATOM 449 CD2 LEU A 29 7.894 0.158 -10.658 1.00 0.00 C ATOM 0 H LEU A 29 2.609 0.622 -9.785 1.00 0.00 H new ATOM 0 HA LEU A 29 4.353 -1.732 -9.448 1.00 0.00 H new ATOM 0 HB2 LEU A 29 5.321 -0.351 -11.296 1.00 0.00 H new ATOM 0 HB3 LEU A 29 5.354 1.027 -10.215 1.00 0.00 H new ATOM 0 HG LEU A 29 6.917 -0.130 -8.733 1.00 0.00 H new ATOM 0 HD11 LEU A 29 8.030 -2.235 -9.412 1.00 0.00 H new ATOM 0 HD12 LEU A 29 6.292 -2.465 -9.107 1.00 0.00 H new ATOM 0 HD13 LEU A 29 6.899 -2.382 -10.778 1.00 0.00 H new ATOM 0 HD21 LEU A 29 8.884 -0.139 -10.310 1.00 0.00 H new ATOM 0 HD22 LEU A 29 7.754 -0.178 -11.686 1.00 0.00 H new ATOM 0 HD23 LEU A 29 7.805 1.244 -10.616 1.00 0.00 H new ATOM 461 N LEU A 30 4.935 -0.799 -7.124 1.00 0.00 N ATOM 462 CA LEU A 30 5.012 -0.479 -5.699 1.00 0.00 C ATOM 463 C LEU A 30 6.478 -0.211 -5.345 1.00 0.00 C ATOM 464 O LEU A 30 7.369 -0.738 -6.018 1.00 0.00 O ATOM 465 CB LEU A 30 4.490 -1.648 -4.836 1.00 0.00 C ATOM 466 CG LEU A 30 3.120 -2.267 -5.190 1.00 0.00 C ATOM 467 CD1 LEU A 30 2.801 -3.388 -4.196 1.00 0.00 C ATOM 468 CD2 LEU A 30 1.965 -1.263 -5.168 1.00 0.00 C ATOM 0 H LEU A 30 5.516 -1.598 -7.379 1.00 0.00 H new ATOM 0 HA LEU A 30 4.394 0.396 -5.498 1.00 0.00 H new ATOM 0 HB2 LEU A 30 5.233 -2.444 -4.871 1.00 0.00 H new ATOM 0 HB3 LEU A 30 4.441 -1.303 -3.803 1.00 0.00 H new ATOM 0 HG LEU A 30 3.207 -2.639 -6.211 1.00 0.00 H new ATOM 0 HD11 LEU A 30 1.835 -3.828 -4.442 1.00 0.00 H new ATOM 0 HD12 LEU A 30 3.574 -4.155 -4.252 1.00 0.00 H new ATOM 0 HD13 LEU A 30 2.767 -2.980 -3.186 1.00 0.00 H new ATOM 0 HD21 LEU A 30 1.036 -1.771 -5.427 1.00 0.00 H new ATOM 0 HD22 LEU A 30 1.877 -0.831 -4.171 1.00 0.00 H new ATOM 0 HD23 LEU A 30 2.158 -0.470 -5.891 1.00 0.00 H new ATOM 480 N LYS A 31 6.747 0.557 -4.282 1.00 0.00 N ATOM 481 CA LYS A 31 8.099 0.720 -3.736 1.00 0.00 C ATOM 482 C LYS A 31 8.071 0.635 -2.216 1.00 0.00 C ATOM 483 O LYS A 31 7.056 0.958 -1.599 1.00 0.00 O ATOM 484 CB LYS A 31 8.787 2.005 -4.256 1.00 0.00 C ATOM 485 CG LYS A 31 8.612 3.306 -3.441 1.00 0.00 C ATOM 486 CD LYS A 31 7.193 3.894 -3.412 1.00 0.00 C ATOM 487 CE LYS A 31 7.093 5.133 -2.502 1.00 0.00 C ATOM 488 NZ LYS A 31 7.876 6.296 -3.001 1.00 0.00 N ATOM 0 H LYS A 31 6.034 1.082 -3.777 1.00 0.00 H new ATOM 0 HA LYS A 31 8.714 -0.104 -4.096 1.00 0.00 H new ATOM 0 HB2 LYS A 31 9.855 1.802 -4.335 1.00 0.00 H new ATOM 0 HB3 LYS A 31 8.423 2.193 -5.266 1.00 0.00 H new ATOM 0 HG2 LYS A 31 8.926 3.114 -2.415 1.00 0.00 H new ATOM 0 HG3 LYS A 31 9.288 4.059 -3.846 1.00 0.00 H new ATOM 0 HD2 LYS A 31 6.893 4.164 -4.425 1.00 0.00 H new ATOM 0 HD3 LYS A 31 6.494 3.133 -3.065 1.00 0.00 H new ATOM 0 HE2 LYS A 31 6.046 5.422 -2.408 1.00 0.00 H new ATOM 0 HE3 LYS A 31 7.442 4.871 -1.503 1.00 0.00 H new ATOM 0 HZ1 LYS A 31 7.767 7.095 -2.345 1.00 0.00 H new ATOM 0 HZ2 LYS A 31 8.881 6.036 -3.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 31 7.528 6.571 -3.942 1.00 0.00 H new ATOM 502 N LEU A 32 9.193 0.224 -1.629 1.00 0.00 N ATOM 503 CA LEU A 32 9.415 0.157 -0.189 1.00 0.00 C ATOM 504 C LEU A 32 10.015 1.497 0.238 1.00 0.00 C ATOM 505 O LEU A 32 11.048 1.899 -0.303 1.00 0.00 O ATOM 506 CB LEU A 32 10.356 -1.034 0.095 1.00 0.00 C ATOM 507 CG LEU A 32 10.926 -1.147 1.524 1.00 0.00 C ATOM 508 CD1 LEU A 32 9.844 -1.168 2.605 1.00 0.00 C ATOM 509 CD2 LEU A 32 11.746 -2.439 1.642 1.00 0.00 C ATOM 0 H LEU A 32 10.004 -0.083 -2.166 1.00 0.00 H new ATOM 0 HA LEU A 32 8.498 -0.006 0.377 1.00 0.00 H new ATOM 0 HB2 LEU A 32 9.816 -1.954 -0.129 1.00 0.00 H new ATOM 0 HB3 LEU A 32 11.193 -0.979 -0.601 1.00 0.00 H new ATOM 0 HG LEU A 32 11.540 -0.261 1.686 1.00 0.00 H new ATOM 0 HD11 LEU A 32 10.312 -1.249 3.586 1.00 0.00 H new ATOM 0 HD12 LEU A 32 9.262 -0.248 2.555 1.00 0.00 H new ATOM 0 HD13 LEU A 32 9.186 -2.022 2.445 1.00 0.00 H new ATOM 0 HD21 LEU A 32 12.151 -2.522 2.651 1.00 0.00 H new ATOM 0 HD22 LEU A 32 11.106 -3.297 1.436 1.00 0.00 H new ATOM 0 HD23 LEU A 32 12.565 -2.417 0.923 1.00 0.00 H new ATOM 521 N HIS A 33 9.384 2.187 1.188 1.00 0.00 N ATOM 522 CA HIS A 33 9.854 3.449 1.750 1.00 0.00 C ATOM 523 C HIS A 33 9.391 3.530 3.203 1.00 0.00 C ATOM 524 O HIS A 33 8.245 3.197 3.499 1.00 0.00 O ATOM 525 CB HIS A 33 9.288 4.627 0.939 1.00 0.00 C ATOM 526 CG HIS A 33 9.811 5.965 1.406 1.00 0.00 C ATOM 527 ND1 HIS A 33 9.139 6.902 2.163 1.00 0.00 N ATOM 528 CD2 HIS A 33 11.068 6.461 1.179 1.00 0.00 C ATOM 529 CE1 HIS A 33 9.972 7.931 2.385 1.00 0.00 C ATOM 530 NE2 HIS A 33 11.168 7.711 1.805 1.00 0.00 N ATOM 0 H HIS A 33 8.505 1.872 1.599 1.00 0.00 H new ATOM 0 HA HIS A 33 10.942 3.499 1.707 1.00 0.00 H new ATOM 0 HB2 HIS A 33 9.539 4.491 -0.113 1.00 0.00 H new ATOM 0 HB3 HIS A 33 8.200 4.622 1.011 1.00 0.00 H new ATOM 0 HD1 HIS A 33 8.178 6.826 2.496 1.00 0.00 H new ATOM 0 HD2 HIS A 33 11.848 5.972 0.614 1.00 0.00 H new ATOM 0 HE1 HIS A 33 9.718 8.815 2.951 1.00 0.00 H new ATOM 538 N ASP A 34 10.274 3.981 4.102 1.00 0.00 N ATOM 539 CA ASP A 34 10.037 4.097 5.548 1.00 0.00 C ATOM 540 C ASP A 34 9.373 2.840 6.142 1.00 0.00 C ATOM 541 O ASP A 34 8.433 2.904 6.935 1.00 0.00 O ATOM 542 CB ASP A 34 9.297 5.403 5.868 1.00 0.00 C ATOM 543 CG ASP A 34 9.231 5.653 7.384 1.00 0.00 C ATOM 544 OD1 ASP A 34 10.301 5.746 8.032 1.00 0.00 O ATOM 545 OD2 ASP A 34 8.113 5.778 7.929 1.00 0.00 O ATOM 0 H ASP A 34 11.209 4.287 3.833 1.00 0.00 H new ATOM 0 HA ASP A 34 11.003 4.153 6.049 1.00 0.00 H new ATOM 0 HB2 ASP A 34 9.802 6.238 5.382 1.00 0.00 H new ATOM 0 HB3 ASP A 34 8.287 5.360 5.460 1.00 0.00 H new ATOM 550 N GLU A 35 9.865 1.672 5.714 1.00 0.00 N ATOM 551 CA GLU A 35 9.375 0.345 6.096 1.00 0.00 C ATOM 552 C GLU A 35 7.865 0.144 5.864 1.00 0.00 C ATOM 553 O GLU A 35 7.208 -0.622 6.571 1.00 0.00 O ATOM 554 CB GLU A 35 9.865 -0.049 7.503 1.00 0.00 C ATOM 555 CG GLU A 35 11.398 0.009 7.603 1.00 0.00 C ATOM 556 CD GLU A 35 11.926 -0.846 8.763 1.00 0.00 C ATOM 557 OE1 GLU A 35 11.952 -0.375 9.924 1.00 0.00 O ATOM 558 OE2 GLU A 35 12.339 -1.998 8.500 1.00 0.00 O ATOM 0 H GLU A 35 10.650 1.625 5.064 1.00 0.00 H new ATOM 0 HA GLU A 35 9.825 -0.369 5.406 1.00 0.00 H new ATOM 0 HB2 GLU A 35 9.426 0.620 8.243 1.00 0.00 H new ATOM 0 HB3 GLU A 35 9.522 -1.056 7.740 1.00 0.00 H new ATOM 0 HG2 GLU A 35 11.837 -0.337 6.667 1.00 0.00 H new ATOM 0 HG3 GLU A 35 11.715 1.043 7.740 1.00 0.00 H new ATOM 565 N ARG A 36 7.319 0.796 4.834 1.00 0.00 N ATOM 566 CA ARG A 36 5.972 0.589 4.310 1.00 0.00 C ATOM 567 C ARG A 36 6.089 0.414 2.801 1.00 0.00 C ATOM 568 O ARG A 36 7.122 0.746 2.221 1.00 0.00 O ATOM 569 CB ARG A 36 5.074 1.788 4.676 1.00 0.00 C ATOM 570 CG ARG A 36 4.785 1.901 6.183 1.00 0.00 C ATOM 571 CD ARG A 36 3.918 0.755 6.722 1.00 0.00 C ATOM 572 NE ARG A 36 2.521 0.880 6.270 1.00 0.00 N ATOM 573 CZ ARG A 36 1.860 0.116 5.390 1.00 0.00 C ATOM 574 NH1 ARG A 36 2.395 -0.960 4.817 1.00 0.00 N ATOM 575 NH2 ARG A 36 0.618 0.442 5.062 1.00 0.00 N ATOM 0 H ARG A 36 7.830 1.515 4.321 1.00 0.00 H new ATOM 0 HA ARG A 36 5.512 -0.298 4.745 1.00 0.00 H new ATOM 0 HB2 ARG A 36 5.552 2.707 4.336 1.00 0.00 H new ATOM 0 HB3 ARG A 36 4.130 1.702 4.138 1.00 0.00 H new ATOM 0 HG2 ARG A 36 5.730 1.920 6.727 1.00 0.00 H new ATOM 0 HG3 ARG A 36 4.285 2.849 6.380 1.00 0.00 H new ATOM 0 HD2 ARG A 36 4.326 -0.199 6.389 1.00 0.00 H new ATOM 0 HD3 ARG A 36 3.951 0.753 7.812 1.00 0.00 H new ATOM 0 HE ARG A 36 1.988 1.647 6.680 1.00 0.00 H new ATOM 0 HH11 ARG A 36 3.351 -1.236 5.042 1.00 0.00 H new ATOM 0 HH12 ARG A 36 1.849 -1.509 4.153 1.00 0.00 H new ATOM 0 HH21 ARG A 36 0.180 1.264 5.478 1.00 0.00 H new ATOM 0 HH22 ARG A 36 0.101 -0.129 4.394 1.00 0.00 H new ATOM 589 N VAL A 37 5.048 -0.101 2.150 1.00 0.00 N ATOM 590 CA VAL A 37 5.074 -0.366 0.717 1.00 0.00 C ATOM 591 C VAL A 37 3.927 0.423 0.108 1.00 0.00 C ATOM 592 O VAL A 37 2.765 0.220 0.473 1.00 0.00 O ATOM 593 CB VAL A 37 5.041 -1.880 0.436 1.00 0.00 C ATOM 594 CG1 VAL A 37 5.002 -2.165 -1.072 1.00 0.00 C ATOM 595 CG2 VAL A 37 6.292 -2.553 1.021 1.00 0.00 C ATOM 0 H VAL A 37 4.166 -0.345 2.601 1.00 0.00 H new ATOM 0 HA VAL A 37 6.002 -0.037 0.250 1.00 0.00 H new ATOM 0 HB VAL A 37 4.140 -2.279 0.902 1.00 0.00 H new ATOM 0 HG11 VAL A 37 4.979 -3.242 -1.238 1.00 0.00 H new ATOM 0 HG12 VAL A 37 4.110 -1.712 -1.505 1.00 0.00 H new ATOM 0 HG13 VAL A 37 5.889 -1.743 -1.545 1.00 0.00 H new ATOM 0 HG21 VAL A 37 6.259 -3.623 0.817 1.00 0.00 H new ATOM 0 HG22 VAL A 37 7.184 -2.124 0.564 1.00 0.00 H new ATOM 0 HG23 VAL A 37 6.323 -2.390 2.098 1.00 0.00 H new ATOM 605 N LEU A 38 4.276 1.359 -0.774 1.00 0.00 N ATOM 606 CA LEU A 38 3.382 2.368 -1.326 1.00 0.00 C ATOM 607 C LEU A 38 3.273 2.132 -2.828 1.00 0.00 C ATOM 608 O LEU A 38 4.244 1.711 -3.459 1.00 0.00 O ATOM 609 CB LEU A 38 3.923 3.785 -1.045 1.00 0.00 C ATOM 610 CG LEU A 38 3.466 4.414 0.286 1.00 0.00 C ATOM 611 CD1 LEU A 38 3.923 3.627 1.520 1.00 0.00 C ATOM 612 CD2 LEU A 38 4.012 5.843 0.387 1.00 0.00 C ATOM 0 H LEU A 38 5.227 1.435 -1.136 1.00 0.00 H new ATOM 0 HA LEU A 38 2.400 2.290 -0.859 1.00 0.00 H new ATOM 0 HB2 LEU A 38 5.012 3.748 -1.055 1.00 0.00 H new ATOM 0 HB3 LEU A 38 3.618 4.440 -1.861 1.00 0.00 H new ATOM 0 HG LEU A 38 2.376 4.402 0.278 1.00 0.00 H new ATOM 0 HD11 LEU A 38 3.567 4.125 2.422 1.00 0.00 H new ATOM 0 HD12 LEU A 38 3.516 2.617 1.479 1.00 0.00 H new ATOM 0 HD13 LEU A 38 5.012 3.579 1.538 1.00 0.00 H new ATOM 0 HD21 LEU A 38 3.690 6.290 1.328 1.00 0.00 H new ATOM 0 HD22 LEU A 38 5.101 5.820 0.350 1.00 0.00 H new ATOM 0 HD23 LEU A 38 3.634 6.437 -0.445 1.00 0.00 H new ATOM 624 N VAL A 39 2.111 2.427 -3.406 1.00 0.00 N ATOM 625 CA VAL A 39 1.878 2.391 -4.841 1.00 0.00 C ATOM 626 C VAL A 39 2.704 3.520 -5.461 1.00 0.00 C ATOM 627 O VAL A 39 2.405 4.699 -5.255 1.00 0.00 O ATOM 628 CB VAL A 39 0.370 2.490 -5.158 1.00 0.00 C ATOM 629 CG1 VAL A 39 0.141 2.284 -6.663 1.00 0.00 C ATOM 630 CG2 VAL A 39 -0.485 1.454 -4.408 1.00 0.00 C ATOM 0 H VAL A 39 1.287 2.704 -2.873 1.00 0.00 H new ATOM 0 HA VAL A 39 2.195 1.442 -5.273 1.00 0.00 H new ATOM 0 HB VAL A 39 0.060 3.483 -4.831 1.00 0.00 H new ATOM 0 HG11 VAL A 39 -0.924 2.355 -6.882 1.00 0.00 H new ATOM 0 HG12 VAL A 39 0.678 3.051 -7.221 1.00 0.00 H new ATOM 0 HG13 VAL A 39 0.507 1.300 -6.955 1.00 0.00 H new ATOM 0 HG21 VAL A 39 -1.533 1.582 -4.679 1.00 0.00 H new ATOM 0 HG22 VAL A 39 -0.160 0.449 -4.679 1.00 0.00 H new ATOM 0 HG23 VAL A 39 -0.368 1.595 -3.334 1.00 0.00 H new ATOM 640 N ALA A 40 3.767 3.152 -6.178 1.00 0.00 N ATOM 641 CA ALA A 40 4.746 4.068 -6.737 1.00 0.00 C ATOM 642 C ALA A 40 4.265 4.668 -8.052 1.00 0.00 C ATOM 643 O ALA A 40 4.460 5.861 -8.293 1.00 0.00 O ATOM 644 CB ALA A 40 6.051 3.295 -6.982 1.00 0.00 C ATOM 0 H ALA A 40 3.971 2.175 -6.389 1.00 0.00 H new ATOM 0 HA ALA A 40 4.901 4.885 -6.032 1.00 0.00 H new ATOM 0 HB1 ALA A 40 6.799 3.968 -7.402 1.00 0.00 H new ATOM 0 HB2 ALA A 40 6.417 2.890 -6.038 1.00 0.00 H new ATOM 0 HB3 ALA A 40 5.865 2.478 -7.679 1.00 0.00 H new ATOM 650 N PHE A 41 3.641 3.843 -8.894 1.00 0.00 N ATOM 651 CA PHE A 41 3.179 4.211 -10.224 1.00 0.00 C ATOM 652 C PHE A 41 1.919 3.412 -10.537 1.00 0.00 C ATOM 653 O PHE A 41 1.663 2.372 -9.927 1.00 0.00 O ATOM 654 CB PHE A 41 4.261 3.926 -11.284 1.00 0.00 C ATOM 655 CG PHE A 41 5.533 4.743 -11.142 1.00 0.00 C ATOM 656 CD1 PHE A 41 5.595 6.050 -11.664 1.00 0.00 C ATOM 657 CD2 PHE A 41 6.658 4.201 -10.490 1.00 0.00 C ATOM 658 CE1 PHE A 41 6.773 6.808 -11.532 1.00 0.00 C ATOM 659 CE2 PHE A 41 7.834 4.960 -10.356 1.00 0.00 C ATOM 660 CZ PHE A 41 7.892 6.265 -10.878 1.00 0.00 C ATOM 0 H PHE A 41 3.439 2.872 -8.658 1.00 0.00 H new ATOM 0 HA PHE A 41 2.965 5.279 -10.247 1.00 0.00 H new ATOM 0 HB2 PHE A 41 4.520 2.868 -11.241 1.00 0.00 H new ATOM 0 HB3 PHE A 41 3.838 4.110 -12.271 1.00 0.00 H new ATOM 0 HD1 PHE A 41 4.737 6.471 -12.166 1.00 0.00 H new ATOM 0 HD2 PHE A 41 6.617 3.198 -10.091 1.00 0.00 H new ATOM 0 HE1 PHE A 41 6.817 7.809 -11.934 1.00 0.00 H new ATOM 0 HE2 PHE A 41 8.693 4.541 -9.852 1.00 0.00 H new ATOM 0 HZ PHE A 41 8.795 6.849 -10.776 1.00 0.00 H new ATOM 670 N GLY A 42 1.142 3.910 -11.494 1.00 0.00 N ATOM 671 CA GLY A 42 -0.149 3.370 -11.881 1.00 0.00 C ATOM 672 C GLY A 42 -0.859 4.419 -12.722 1.00 0.00 C ATOM 673 O GLY A 42 -1.971 4.818 -12.395 1.00 0.00 O ATOM 0 H GLY A 42 1.407 4.731 -12.039 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -0.023 2.448 -12.448 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -0.740 3.124 -10.999 1.00 0.00 H new ATOM 677 N GLN A 43 -0.188 4.948 -13.748 1.00 0.00 N ATOM 678 CA GLN A 43 -0.740 5.997 -14.601 1.00 0.00 C ATOM 679 C GLN A 43 -1.979 5.494 -15.354 1.00 0.00 C ATOM 680 O GLN A 43 -2.894 6.277 -15.618 1.00 0.00 O ATOM 681 CB GLN A 43 0.333 6.494 -15.584 1.00 0.00 C ATOM 682 CG GLN A 43 1.516 7.170 -14.872 1.00 0.00 C ATOM 683 CD GLN A 43 2.549 7.685 -15.876 1.00 0.00 C ATOM 684 OE1 GLN A 43 2.444 8.796 -16.391 1.00 0.00 O ATOM 685 NE2 GLN A 43 3.567 6.897 -16.184 1.00 0.00 N ATOM 0 H GLN A 43 0.755 4.659 -14.009 1.00 0.00 H new ATOM 0 HA GLN A 43 -1.050 6.831 -13.971 1.00 0.00 H new ATOM 0 HB2 GLN A 43 0.700 5.653 -16.172 1.00 0.00 H new ATOM 0 HB3 GLN A 43 -0.117 7.199 -16.283 1.00 0.00 H new ATOM 0 HG2 GLN A 43 1.152 7.998 -14.264 1.00 0.00 H new ATOM 0 HG3 GLN A 43 1.988 6.460 -14.193 1.00 0.00 H new ATOM 0 HE21 GLN A 43 3.648 5.976 -15.753 1.00 0.00 H new ATOM 0 HE22 GLN A 43 4.271 7.211 -16.853 1.00 0.00 H new ATOM 694 N ARG A 44 -2.043 4.193 -15.671 1.00 0.00 N ATOM 695 CA ARG A 44 -3.228 3.575 -16.265 1.00 0.00 C ATOM 696 C ARG A 44 -4.405 3.593 -15.284 1.00 0.00 C ATOM 697 O ARG A 44 -5.556 3.651 -15.716 1.00 0.00 O ATOM 698 CB ARG A 44 -2.888 2.136 -16.701 1.00 0.00 C ATOM 699 CG ARG A 44 -3.867 1.605 -17.762 1.00 0.00 C ATOM 700 CD ARG A 44 -3.585 0.141 -18.126 1.00 0.00 C ATOM 701 NE ARG A 44 -4.035 -0.774 -17.063 1.00 0.00 N ATOM 702 CZ ARG A 44 -4.196 -2.097 -17.165 1.00 0.00 C ATOM 703 NH1 ARG A 44 -3.827 -2.751 -18.263 1.00 0.00 N ATOM 704 NH2 ARG A 44 -4.754 -2.748 -16.150 1.00 0.00 N ATOM 0 H ARG A 44 -1.272 3.542 -15.521 1.00 0.00 H new ATOM 0 HA ARG A 44 -3.530 4.148 -17.142 1.00 0.00 H new ATOM 0 HB2 ARG A 44 -1.874 2.109 -17.099 1.00 0.00 H new ATOM 0 HB3 ARG A 44 -2.907 1.480 -15.831 1.00 0.00 H new ATOM 0 HG2 ARG A 44 -4.888 1.696 -17.391 1.00 0.00 H new ATOM 0 HG3 ARG A 44 -3.798 2.221 -18.659 1.00 0.00 H new ATOM 0 HD2 ARG A 44 -4.090 -0.107 -19.059 1.00 0.00 H new ATOM 0 HD3 ARG A 44 -2.517 0.006 -18.296 1.00 0.00 H new ATOM 0 HE ARG A 44 -4.245 -0.355 -16.157 1.00 0.00 H new ATOM 0 HH11 ARG A 44 -3.414 -2.243 -19.045 1.00 0.00 H new ATOM 0 HH12 ARG A 44 -3.957 -3.761 -18.323 1.00 0.00 H new ATOM 0 HH21 ARG A 44 -5.049 -2.238 -15.317 1.00 0.00 H new ATOM 0 HH22 ARG A 44 -4.888 -3.758 -16.204 1.00 0.00 H new ATOM 718 N ASP A 45 -4.132 3.542 -13.976 1.00 0.00 N ATOM 719 CA ASP A 45 -5.158 3.568 -12.941 1.00 0.00 C ATOM 720 C ASP A 45 -5.599 5.004 -12.652 1.00 0.00 C ATOM 721 O ASP A 45 -6.776 5.332 -12.804 1.00 0.00 O ATOM 722 CB ASP A 45 -4.638 2.922 -11.653 1.00 0.00 C ATOM 723 CG ASP A 45 -5.732 3.011 -10.601 1.00 0.00 C ATOM 724 OD1 ASP A 45 -6.585 2.099 -10.539 1.00 0.00 O ATOM 725 OD2 ASP A 45 -5.774 4.020 -9.868 1.00 0.00 O ATOM 0 H ASP A 45 -3.183 3.481 -13.608 1.00 0.00 H new ATOM 0 HA ASP A 45 -6.015 3.001 -13.304 1.00 0.00 H new ATOM 0 HB2 ASP A 45 -4.367 1.882 -11.832 1.00 0.00 H new ATOM 0 HB3 ASP A 45 -3.738 3.431 -11.309 1.00 0.00 H new ATOM 730 N GLY A 46 -4.644 5.861 -12.281 1.00 0.00 N ATOM 731 CA GLY A 46 -4.825 7.298 -12.148 1.00 0.00 C ATOM 732 C GLY A 46 -5.049 7.797 -10.716 1.00 0.00 C ATOM 733 O GLY A 46 -4.893 9.002 -10.505 1.00 0.00 O ATOM 0 H GLY A 46 -3.696 5.558 -12.059 1.00 0.00 H new ATOM 0 HA2 GLY A 46 -3.947 7.798 -12.557 1.00 0.00 H new ATOM 0 HA3 GLY A 46 -5.677 7.599 -12.758 1.00 0.00 H new ATOM 737 N ILE A 47 -5.402 6.948 -9.733 1.00 0.00 N ATOM 738 CA ILE A 47 -5.816 7.447 -8.407 1.00 0.00 C ATOM 739 C ILE A 47 -5.418 6.541 -7.228 1.00 0.00 C ATOM 740 O ILE A 47 -5.216 7.044 -6.121 1.00 0.00 O ATOM 741 CB ILE A 47 -7.329 7.783 -8.443 1.00 0.00 C ATOM 742 CG1 ILE A 47 -7.763 8.552 -7.177 1.00 0.00 C ATOM 743 CG2 ILE A 47 -8.203 6.537 -8.678 1.00 0.00 C ATOM 744 CD1 ILE A 47 -9.161 9.173 -7.281 1.00 0.00 C ATOM 0 H ILE A 47 -5.410 5.932 -9.827 1.00 0.00 H new ATOM 0 HA ILE A 47 -5.254 8.360 -8.207 1.00 0.00 H new ATOM 0 HB ILE A 47 -7.487 8.438 -9.300 1.00 0.00 H new ATOM 0 HG12 ILE A 47 -7.739 7.873 -6.325 1.00 0.00 H new ATOM 0 HG13 ILE A 47 -7.039 9.341 -6.976 1.00 0.00 H new ATOM 0 HG21 ILE A 47 -9.254 6.827 -8.694 1.00 0.00 H new ATOM 0 HG22 ILE A 47 -7.938 6.081 -9.632 1.00 0.00 H new ATOM 0 HG23 ILE A 47 -8.037 5.820 -7.874 1.00 0.00 H new ATOM 0 HD11 ILE A 47 -9.396 9.697 -6.354 1.00 0.00 H new ATOM 0 HD12 ILE A 47 -9.185 9.878 -8.112 1.00 0.00 H new ATOM 0 HD13 ILE A 47 -9.897 8.387 -7.450 1.00 0.00 H new ATOM 756 N ARG A 48 -5.238 5.231 -7.426 1.00 0.00 N ATOM 757 CA ARG A 48 -4.716 4.342 -6.380 1.00 0.00 C ATOM 758 C ARG A 48 -3.242 4.636 -6.068 1.00 0.00 C ATOM 759 O ARG A 48 -2.775 4.251 -4.997 1.00 0.00 O ATOM 760 CB ARG A 48 -4.935 2.864 -6.770 1.00 0.00 C ATOM 761 CG ARG A 48 -6.274 2.268 -6.288 1.00 0.00 C ATOM 762 CD ARG A 48 -7.577 2.989 -6.676 1.00 0.00 C ATOM 763 NE ARG A 48 -7.859 2.960 -8.117 1.00 0.00 N ATOM 764 CZ ARG A 48 -9.012 3.273 -8.721 1.00 0.00 C ATOM 765 NH1 ARG A 48 -10.098 3.618 -8.033 1.00 0.00 N ATOM 766 NH2 ARG A 48 -9.052 3.225 -10.043 1.00 0.00 N ATOM 0 H ARG A 48 -5.447 4.760 -8.306 1.00 0.00 H new ATOM 0 HA ARG A 48 -5.273 4.535 -5.463 1.00 0.00 H new ATOM 0 HB2 ARG A 48 -4.882 2.776 -7.855 1.00 0.00 H new ATOM 0 HB3 ARG A 48 -4.119 2.269 -6.362 1.00 0.00 H new ATOM 0 HG2 ARG A 48 -6.336 1.246 -6.661 1.00 0.00 H new ATOM 0 HG3 ARG A 48 -6.239 2.208 -5.200 1.00 0.00 H new ATOM 0 HD2 ARG A 48 -8.409 2.530 -6.142 1.00 0.00 H new ATOM 0 HD3 ARG A 48 -7.520 4.026 -6.346 1.00 0.00 H new ATOM 0 HE ARG A 48 -7.092 2.670 -8.724 1.00 0.00 H new ATOM 0 HH11 ARG A 48 -10.067 3.650 -7.014 1.00 0.00 H new ATOM 0 HH12 ARG A 48 -10.961 3.851 -8.525 1.00 0.00 H new ATOM 0 HH21 ARG A 48 -8.221 2.956 -10.569 1.00 0.00 H new ATOM 0 HH22 ARG A 48 -9.914 3.457 -10.536 1.00 0.00 H new ATOM 780 N VAL A 49 -2.505 5.331 -6.940 1.00 0.00 N ATOM 781 CA VAL A 49 -1.118 5.731 -6.684 1.00 0.00 C ATOM 782 C VAL A 49 -1.036 6.514 -5.360 1.00 0.00 C ATOM 783 O VAL A 49 -1.971 7.234 -4.998 1.00 0.00 O ATOM 784 CB VAL A 49 -0.537 6.496 -7.897 1.00 0.00 C ATOM 785 CG1 VAL A 49 0.986 6.672 -7.776 1.00 0.00 C ATOM 786 CG2 VAL A 49 -0.809 5.752 -9.219 1.00 0.00 C ATOM 0 H VAL A 49 -2.856 5.634 -7.849 1.00 0.00 H new ATOM 0 HA VAL A 49 -0.491 4.847 -6.564 1.00 0.00 H new ATOM 0 HB VAL A 49 -1.031 7.468 -7.902 1.00 0.00 H new ATOM 0 HG11 VAL A 49 1.360 7.213 -8.645 1.00 0.00 H new ATOM 0 HG12 VAL A 49 1.217 7.235 -6.871 1.00 0.00 H new ATOM 0 HG13 VAL A 49 1.463 5.693 -7.726 1.00 0.00 H new ATOM 0 HG21 VAL A 49 -0.387 6.319 -10.049 1.00 0.00 H new ATOM 0 HG22 VAL A 49 -0.349 4.765 -9.182 1.00 0.00 H new ATOM 0 HG23 VAL A 49 -1.884 5.646 -9.362 1.00 0.00 H new ATOM 796 N GLY A 50 0.064 6.351 -4.616 1.00 0.00 N ATOM 797 CA GLY A 50 0.318 7.049 -3.359 1.00 0.00 C ATOM 798 C GLY A 50 -0.306 6.370 -2.134 1.00 0.00 C ATOM 799 O GLY A 50 0.049 6.722 -1.007 1.00 0.00 O ATOM 0 H GLY A 50 0.816 5.715 -4.880 1.00 0.00 H new ATOM 0 HA2 GLY A 50 1.395 7.127 -3.210 1.00 0.00 H new ATOM 0 HA3 GLY A 50 -0.068 8.065 -3.435 1.00 0.00 H new ATOM 803 N HIS A 51 -1.209 5.401 -2.323 1.00 0.00 N ATOM 804 CA HIS A 51 -1.761 4.595 -1.236 1.00 0.00 C ATOM 805 C HIS A 51 -0.757 3.506 -0.862 1.00 0.00 C ATOM 806 O HIS A 51 0.273 3.365 -1.523 1.00 0.00 O ATOM 807 CB HIS A 51 -3.127 4.037 -1.657 1.00 0.00 C ATOM 808 CG HIS A 51 -4.107 5.160 -1.878 1.00 0.00 C ATOM 809 ND1 HIS A 51 -4.247 5.917 -3.020 1.00 0.00 N ATOM 810 CD2 HIS A 51 -4.888 5.738 -0.916 1.00 0.00 C ATOM 811 CE1 HIS A 51 -5.098 6.919 -2.755 1.00 0.00 C ATOM 812 NE2 HIS A 51 -5.514 6.860 -1.475 1.00 0.00 N ATOM 0 H HIS A 51 -1.578 5.155 -3.242 1.00 0.00 H new ATOM 0 HA HIS A 51 -1.928 5.200 -0.345 1.00 0.00 H new ATOM 0 HB2 HIS A 51 -3.022 3.452 -2.571 1.00 0.00 H new ATOM 0 HB3 HIS A 51 -3.504 3.363 -0.888 1.00 0.00 H new ATOM 0 HD1 HIS A 51 -3.784 5.745 -3.912 1.00 0.00 H new ATOM 0 HD2 HIS A 51 -5.003 5.390 0.100 1.00 0.00 H new ATOM 0 HE1 HIS A 51 -5.407 7.669 -3.468 1.00 0.00 H new ATOM 820 N ALA A 52 -1.036 2.732 0.186 1.00 0.00 N ATOM 821 CA ALA A 52 -0.109 1.742 0.711 1.00 0.00 C ATOM 822 C ALA A 52 -0.802 0.418 0.971 1.00 0.00 C ATOM 823 O ALA A 52 -1.979 0.384 1.332 1.00 0.00 O ATOM 824 CB ALA A 52 0.515 2.274 1.997 1.00 0.00 C ATOM 0 H ALA A 52 -1.919 2.778 0.695 1.00 0.00 H new ATOM 0 HA ALA A 52 0.669 1.564 -0.031 1.00 0.00 H new ATOM 0 HB1 ALA A 52 1.211 1.536 2.396 1.00 0.00 H new ATOM 0 HB2 ALA A 52 1.049 3.200 1.786 1.00 0.00 H new ATOM 0 HB3 ALA A 52 -0.269 2.466 2.729 1.00 0.00 H new ATOM 830 N VAL A 53 -0.042 -0.665 0.808 1.00 0.00 N ATOM 831 CA VAL A 53 -0.495 -2.025 1.052 1.00 0.00 C ATOM 832 C VAL A 53 -0.872 -2.143 2.527 1.00 0.00 C ATOM 833 O VAL A 53 -0.134 -1.670 3.397 1.00 0.00 O ATOM 834 CB VAL A 53 0.620 -3.020 0.658 1.00 0.00 C ATOM 835 CG1 VAL A 53 0.178 -4.477 0.860 1.00 0.00 C ATOM 836 CG2 VAL A 53 1.041 -2.850 -0.811 1.00 0.00 C ATOM 0 H VAL A 53 0.928 -0.615 0.495 1.00 0.00 H new ATOM 0 HA VAL A 53 -1.370 -2.263 0.447 1.00 0.00 H new ATOM 0 HB VAL A 53 1.464 -2.797 1.311 1.00 0.00 H new ATOM 0 HG11 VAL A 53 0.989 -5.146 0.572 1.00 0.00 H new ATOM 0 HG12 VAL A 53 -0.072 -4.639 1.908 1.00 0.00 H new ATOM 0 HG13 VAL A 53 -0.697 -4.681 0.243 1.00 0.00 H new ATOM 0 HG21 VAL A 53 1.827 -3.567 -1.050 1.00 0.00 H new ATOM 0 HG22 VAL A 53 0.182 -3.024 -1.458 1.00 0.00 H new ATOM 0 HG23 VAL A 53 1.414 -1.838 -0.968 1.00 0.00 H new ATOM 846 N LEU A 54 -1.993 -2.807 2.805 1.00 0.00 N ATOM 847 CA LEU A 54 -2.450 -3.147 4.147 1.00 0.00 C ATOM 848 C LEU A 54 -2.572 -4.666 4.273 1.00 0.00 C ATOM 849 O LEU A 54 -2.255 -5.196 5.337 1.00 0.00 O ATOM 850 CB LEU A 54 -3.788 -2.455 4.471 1.00 0.00 C ATOM 851 CG LEU A 54 -3.755 -0.911 4.486 1.00 0.00 C ATOM 852 CD1 LEU A 54 -5.162 -0.378 4.772 1.00 0.00 C ATOM 853 CD2 LEU A 54 -2.790 -0.321 5.526 1.00 0.00 C ATOM 0 H LEU A 54 -2.628 -3.133 2.076 1.00 0.00 H new ATOM 0 HA LEU A 54 -1.718 -2.788 4.871 1.00 0.00 H new ATOM 0 HB2 LEU A 54 -4.529 -2.777 3.740 1.00 0.00 H new ATOM 0 HB3 LEU A 54 -4.129 -2.803 5.446 1.00 0.00 H new ATOM 0 HG LEU A 54 -3.396 -0.603 3.504 1.00 0.00 H new ATOM 0 HD11 LEU A 54 -5.143 0.712 4.783 1.00 0.00 H new ATOM 0 HD12 LEU A 54 -5.846 -0.721 3.995 1.00 0.00 H new ATOM 0 HD13 LEU A 54 -5.500 -0.745 5.741 1.00 0.00 H new ATOM 0 HD21 LEU A 54 -2.822 0.767 5.476 1.00 0.00 H new ATOM 0 HD22 LEU A 54 -3.086 -0.648 6.523 1.00 0.00 H new ATOM 0 HD23 LEU A 54 -1.776 -0.664 5.318 1.00 0.00 H new ATOM 865 N ALA A 55 -2.932 -5.390 3.204 1.00 0.00 N ATOM 866 CA ALA A 55 -2.858 -6.849 3.188 1.00 0.00 C ATOM 867 C ALA A 55 -2.620 -7.367 1.771 1.00 0.00 C ATOM 868 O ALA A 55 -2.940 -6.685 0.796 1.00 0.00 O ATOM 869 CB ALA A 55 -4.143 -7.465 3.762 1.00 0.00 C ATOM 0 H ALA A 55 -3.279 -4.981 2.336 1.00 0.00 H new ATOM 0 HA ALA A 55 -2.016 -7.147 3.813 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -4.066 -8.552 3.741 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -4.279 -7.131 4.791 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -4.997 -7.150 3.163 1.00 0.00 H new ATOM 875 N ILE A 56 -2.128 -8.603 1.667 1.00 0.00 N ATOM 876 CA ILE A 56 -2.011 -9.353 0.414 1.00 0.00 C ATOM 877 C ILE A 56 -2.587 -10.742 0.686 1.00 0.00 C ATOM 878 O ILE A 56 -2.225 -11.367 1.678 1.00 0.00 O ATOM 879 CB ILE A 56 -0.545 -9.439 -0.071 1.00 0.00 C ATOM 880 CG1 ILE A 56 0.060 -8.036 -0.280 1.00 0.00 C ATOM 881 CG2 ILE A 56 -0.493 -10.256 -1.380 1.00 0.00 C ATOM 882 CD1 ILE A 56 1.560 -8.042 -0.568 1.00 0.00 C ATOM 0 H ILE A 56 -1.790 -9.125 2.475 1.00 0.00 H new ATOM 0 HA ILE A 56 -2.556 -8.851 -0.385 1.00 0.00 H new ATOM 0 HB ILE A 56 0.051 -9.937 0.694 1.00 0.00 H new ATOM 0 HG12 ILE A 56 -0.456 -7.549 -1.107 1.00 0.00 H new ATOM 0 HG13 ILE A 56 -0.126 -7.435 0.610 1.00 0.00 H new ATOM 0 HG21 ILE A 56 0.538 -10.321 -1.728 1.00 0.00 H new ATOM 0 HG22 ILE A 56 -0.878 -11.259 -1.198 1.00 0.00 H new ATOM 0 HG23 ILE A 56 -1.102 -9.766 -2.139 1.00 0.00 H new ATOM 0 HD11 ILE A 56 1.909 -7.018 -0.703 1.00 0.00 H new ATOM 0 HD12 ILE A 56 2.089 -8.499 0.268 1.00 0.00 H new ATOM 0 HD13 ILE A 56 1.754 -8.614 -1.476 1.00 0.00 H new ATOM 894 N ASN A 57 -3.478 -11.213 -0.190 1.00 0.00 N ATOM 895 CA ASN A 57 -4.260 -12.457 -0.094 1.00 0.00 C ATOM 896 C ASN A 57 -4.832 -12.764 1.306 1.00 0.00 C ATOM 897 O ASN A 57 -5.112 -13.919 1.633 1.00 0.00 O ATOM 898 CB ASN A 57 -3.523 -13.641 -0.755 1.00 0.00 C ATOM 899 CG ASN A 57 -2.243 -14.099 -0.051 1.00 0.00 C ATOM 900 OD1 ASN A 57 -2.238 -14.503 1.107 1.00 0.00 O ATOM 901 ND2 ASN A 57 -1.127 -14.089 -0.764 1.00 0.00 N ATOM 0 H ASN A 57 -3.690 -10.702 -1.047 1.00 0.00 H new ATOM 0 HA ASN A 57 -5.163 -12.285 -0.680 1.00 0.00 H new ATOM 0 HB2 ASN A 57 -4.208 -14.487 -0.811 1.00 0.00 H new ATOM 0 HB3 ASN A 57 -3.274 -13.364 -1.779 1.00 0.00 H new ATOM 0 HD21 ASN A 57 -0.255 -14.419 -0.351 1.00 0.00 H new ATOM 0 HD22 ASN A 57 -1.140 -13.751 -1.726 1.00 0.00 H new ATOM 908 N GLY A 58 -5.057 -11.725 2.119 1.00 0.00 N ATOM 909 CA GLY A 58 -5.624 -11.815 3.463 1.00 0.00 C ATOM 910 C GLY A 58 -4.570 -11.707 4.570 1.00 0.00 C ATOM 911 O GLY A 58 -4.933 -11.455 5.719 1.00 0.00 O ATOM 0 H GLY A 58 -4.840 -10.766 1.846 1.00 0.00 H new ATOM 0 HA2 GLY A 58 -6.361 -11.023 3.593 1.00 0.00 H new ATOM 0 HA3 GLY A 58 -6.153 -12.763 3.565 1.00 0.00 H new ATOM 915 N MET A 59 -3.281 -11.859 4.250 1.00 0.00 N ATOM 916 CA MET A 59 -2.190 -11.616 5.182 1.00 0.00 C ATOM 917 C MET A 59 -2.005 -10.110 5.347 1.00 0.00 C ATOM 918 O MET A 59 -1.510 -9.441 4.438 1.00 0.00 O ATOM 919 CB MET A 59 -0.875 -12.229 4.684 1.00 0.00 C ATOM 920 CG MET A 59 -0.876 -13.760 4.685 1.00 0.00 C ATOM 921 SD MET A 59 0.768 -14.492 4.440 1.00 0.00 S ATOM 922 CE MET A 59 1.075 -14.050 2.708 1.00 0.00 C ATOM 0 H MET A 59 -2.969 -12.157 3.326 1.00 0.00 H new ATOM 0 HA MET A 59 -2.444 -12.083 6.134 1.00 0.00 H new ATOM 0 HB2 MET A 59 -0.678 -11.874 3.672 1.00 0.00 H new ATOM 0 HB3 MET A 59 -0.057 -11.874 5.311 1.00 0.00 H new ATOM 0 HG2 MET A 59 -1.284 -14.114 5.632 1.00 0.00 H new ATOM 0 HG3 MET A 59 -1.543 -14.114 3.899 1.00 0.00 H new ATOM 0 HE1 MET A 59 2.034 -14.460 2.392 1.00 0.00 H new ATOM 0 HE2 MET A 59 0.282 -14.459 2.082 1.00 0.00 H new ATOM 0 HE3 MET A 59 1.093 -12.965 2.607 1.00 0.00 H new ATOM 932 N ASP A 60 -2.411 -9.581 6.499 1.00 0.00 N ATOM 933 CA ASP A 60 -2.116 -8.214 6.923 1.00 0.00 C ATOM 934 C ASP A 60 -0.595 -8.036 6.919 1.00 0.00 C ATOM 935 O ASP A 60 0.117 -8.861 7.502 1.00 0.00 O ATOM 936 CB ASP A 60 -2.694 -7.979 8.324 1.00 0.00 C ATOM 937 CG ASP A 60 -2.261 -6.625 8.907 1.00 0.00 C ATOM 938 OD1 ASP A 60 -2.958 -5.613 8.676 1.00 0.00 O ATOM 939 OD2 ASP A 60 -1.257 -6.577 9.653 1.00 0.00 O ATOM 0 H ASP A 60 -2.966 -10.102 7.178 1.00 0.00 H new ATOM 0 HA ASP A 60 -2.568 -7.488 6.247 1.00 0.00 H new ATOM 0 HB2 ASP A 60 -3.782 -8.023 8.279 1.00 0.00 H new ATOM 0 HB3 ASP A 60 -2.370 -8.780 8.989 1.00 0.00 H new ATOM 944 N VAL A 61 -0.080 -7.025 6.215 1.00 0.00 N ATOM 945 CA VAL A 61 1.362 -6.868 6.063 1.00 0.00 C ATOM 946 C VAL A 61 1.935 -6.209 7.324 1.00 0.00 C ATOM 947 O VAL A 61 1.461 -5.162 7.776 1.00 0.00 O ATOM 948 CB VAL A 61 1.749 -6.170 4.738 1.00 0.00 C ATOM 949 CG1 VAL A 61 1.284 -7.016 3.536 1.00 0.00 C ATOM 950 CG2 VAL A 61 1.242 -4.731 4.576 1.00 0.00 C ATOM 0 H VAL A 61 -0.637 -6.311 5.746 1.00 0.00 H new ATOM 0 HA VAL A 61 1.826 -7.850 5.974 1.00 0.00 H new ATOM 0 HB VAL A 61 2.836 -6.093 4.773 1.00 0.00 H new ATOM 0 HG11 VAL A 61 1.562 -6.515 2.609 1.00 0.00 H new ATOM 0 HG12 VAL A 61 1.759 -7.996 3.575 1.00 0.00 H new ATOM 0 HG13 VAL A 61 0.201 -7.136 3.573 1.00 0.00 H new ATOM 0 HG21 VAL A 61 1.569 -4.336 3.614 1.00 0.00 H new ATOM 0 HG22 VAL A 61 0.153 -4.722 4.621 1.00 0.00 H new ATOM 0 HG23 VAL A 61 1.644 -4.111 5.378 1.00 0.00 H new ATOM 960 N ASN A 62 2.966 -6.832 7.894 1.00 0.00 N ATOM 961 CA ASN A 62 3.793 -6.292 8.962 1.00 0.00 C ATOM 962 C ASN A 62 4.729 -5.246 8.350 1.00 0.00 C ATOM 963 O ASN A 62 5.904 -5.524 8.095 1.00 0.00 O ATOM 964 CB ASN A 62 4.571 -7.423 9.658 1.00 0.00 C ATOM 965 CG ASN A 62 5.525 -6.888 10.728 1.00 0.00 C ATOM 966 OD1 ASN A 62 5.289 -5.850 11.342 1.00 0.00 O ATOM 967 ND2 ASN A 62 6.618 -7.589 10.987 1.00 0.00 N ATOM 0 H ASN A 62 3.257 -7.767 7.608 1.00 0.00 H new ATOM 0 HA ASN A 62 3.178 -5.818 9.727 1.00 0.00 H new ATOM 0 HB2 ASN A 62 3.868 -8.119 10.115 1.00 0.00 H new ATOM 0 HB3 ASN A 62 5.138 -7.984 8.915 1.00 0.00 H new ATOM 0 HD21 ASN A 62 7.272 -7.269 11.701 1.00 0.00 H new ATOM 0 HD22 ASN A 62 6.806 -8.449 10.472 1.00 0.00 H new ATOM 974 N GLY A 63 4.178 -4.072 8.029 1.00 0.00 N ATOM 975 CA GLY A 63 4.875 -2.900 7.514 1.00 0.00 C ATOM 976 C GLY A 63 5.350 -3.098 6.078 1.00 0.00 C ATOM 977 O GLY A 63 4.771 -2.528 5.150 1.00 0.00 O ATOM 0 H GLY A 63 3.176 -3.909 8.129 1.00 0.00 H new ATOM 0 HA2 GLY A 63 4.212 -2.036 7.560 1.00 0.00 H new ATOM 0 HA3 GLY A 63 5.731 -2.679 8.151 1.00 0.00 H new ATOM 981 N ARG A 64 6.360 -3.949 5.910 1.00 0.00 N ATOM 982 CA ARG A 64 7.064 -4.268 4.668 1.00 0.00 C ATOM 983 C ARG A 64 7.147 -5.779 4.442 1.00 0.00 C ATOM 984 O ARG A 64 7.636 -6.203 3.392 1.00 0.00 O ATOM 985 CB ARG A 64 8.472 -3.637 4.707 1.00 0.00 C ATOM 986 CG ARG A 64 9.334 -4.187 5.860 1.00 0.00 C ATOM 987 CD ARG A 64 10.688 -3.493 6.031 1.00 0.00 C ATOM 988 NE ARG A 64 11.703 -3.936 5.064 1.00 0.00 N ATOM 989 CZ ARG A 64 13.021 -3.724 5.187 1.00 0.00 C ATOM 990 NH1 ARG A 64 13.522 -3.033 6.211 1.00 0.00 N ATOM 991 NH2 ARG A 64 13.840 -4.206 4.263 1.00 0.00 N ATOM 0 H ARG A 64 6.737 -4.474 6.699 1.00 0.00 H new ATOM 0 HA ARG A 64 6.504 -3.852 3.830 1.00 0.00 H new ATOM 0 HB2 ARG A 64 8.977 -3.824 3.759 1.00 0.00 H new ATOM 0 HB3 ARG A 64 8.379 -2.556 4.811 1.00 0.00 H new ATOM 0 HG2 ARG A 64 8.774 -4.096 6.790 1.00 0.00 H new ATOM 0 HG3 ARG A 64 9.504 -5.251 5.693 1.00 0.00 H new ATOM 0 HD2 ARG A 64 10.550 -2.416 5.932 1.00 0.00 H new ATOM 0 HD3 ARG A 64 11.056 -3.676 7.041 1.00 0.00 H new ATOM 0 HE ARG A 64 11.381 -4.442 4.239 1.00 0.00 H new ATOM 0 HH11 ARG A 64 12.899 -2.652 6.923 1.00 0.00 H new ATOM 0 HH12 ARG A 64 14.529 -2.885 6.283 1.00 0.00 H new ATOM 0 HH21 ARG A 64 13.465 -4.730 3.472 1.00 0.00 H new ATOM 0 HH22 ARG A 64 14.845 -4.053 4.343 1.00 0.00 H new ATOM 1005 N TYR A 65 6.688 -6.594 5.394 1.00 0.00 N ATOM 1006 CA TYR A 65 6.740 -8.046 5.314 1.00 0.00 C ATOM 1007 C TYR A 65 5.312 -8.582 5.333 1.00 0.00 C ATOM 1008 O TYR A 65 4.414 -7.914 5.845 1.00 0.00 O ATOM 1009 CB TYR A 65 7.551 -8.612 6.490 1.00 0.00 C ATOM 1010 CG TYR A 65 8.916 -7.977 6.712 1.00 0.00 C ATOM 1011 CD1 TYR A 65 9.943 -8.159 5.767 1.00 0.00 C ATOM 1012 CD2 TYR A 65 9.155 -7.192 7.857 1.00 0.00 C ATOM 1013 CE1 TYR A 65 11.193 -7.539 5.943 1.00 0.00 C ATOM 1014 CE2 TYR A 65 10.418 -6.611 8.068 1.00 0.00 C ATOM 1015 CZ TYR A 65 11.447 -6.787 7.113 1.00 0.00 C ATOM 1016 OH TYR A 65 12.678 -6.233 7.304 1.00 0.00 O ATOM 0 H TYR A 65 6.263 -6.252 6.256 1.00 0.00 H new ATOM 0 HA TYR A 65 7.232 -8.354 4.391 1.00 0.00 H new ATOM 0 HB2 TYR A 65 6.964 -8.498 7.401 1.00 0.00 H new ATOM 0 HB3 TYR A 65 7.689 -9.682 6.332 1.00 0.00 H new ATOM 0 HD1 TYR A 65 9.770 -8.779 4.900 1.00 0.00 H new ATOM 0 HD2 TYR A 65 8.365 -7.036 8.576 1.00 0.00 H new ATOM 0 HE1 TYR A 65 11.957 -7.637 5.186 1.00 0.00 H new ATOM 0 HE2 TYR A 65 10.603 -6.030 8.960 1.00 0.00 H new ATOM 0 HH TYR A 65 12.690 -5.747 8.155 1.00 0.00 H new ATOM 1026 N THR A 66 5.068 -9.777 4.806 1.00 0.00 N ATOM 1027 CA THR A 66 3.788 -10.447 4.980 1.00 0.00 C ATOM 1028 C THR A 66 3.642 -10.908 6.433 1.00 0.00 C ATOM 1029 O THR A 66 4.575 -10.820 7.237 1.00 0.00 O ATOM 1030 CB THR A 66 3.675 -11.641 4.019 1.00 0.00 C ATOM 1031 OG1 THR A 66 4.754 -12.538 4.212 1.00 0.00 O ATOM 1032 CG2 THR A 66 3.660 -11.194 2.559 1.00 0.00 C ATOM 0 H THR A 66 5.745 -10.302 4.252 1.00 0.00 H new ATOM 0 HA THR A 66 2.984 -9.748 4.749 1.00 0.00 H new ATOM 0 HB THR A 66 2.732 -12.140 4.241 1.00 0.00 H new ATOM 0 HG1 THR A 66 4.666 -13.293 3.594 1.00 0.00 H new ATOM 0 HG21 THR A 66 3.579 -12.067 1.912 1.00 0.00 H new ATOM 0 HG22 THR A 66 2.808 -10.536 2.389 1.00 0.00 H new ATOM 0 HG23 THR A 66 4.582 -10.659 2.333 1.00 0.00 H new ATOM 1040 N ALA A 67 2.471 -11.460 6.753 1.00 0.00 N ATOM 1041 CA ALA A 67 2.246 -12.151 8.014 1.00 0.00 C ATOM 1042 C ALA A 67 3.206 -13.345 8.142 1.00 0.00 C ATOM 1043 O ALA A 67 3.706 -13.633 9.230 1.00 0.00 O ATOM 1044 CB ALA A 67 0.797 -12.633 8.045 1.00 0.00 C ATOM 0 H ALA A 67 1.654 -11.438 6.142 1.00 0.00 H new ATOM 0 HA ALA A 67 2.432 -11.475 8.849 1.00 0.00 H new ATOM 0 HB1 ALA A 67 0.607 -13.154 8.983 1.00 0.00 H new ATOM 0 HB2 ALA A 67 0.127 -11.777 7.963 1.00 0.00 H new ATOM 0 HB3 ALA A 67 0.621 -13.312 7.211 1.00 0.00 H new ATOM 1050 N ASP A 68 3.470 -14.028 7.021 1.00 0.00 N ATOM 1051 CA ASP A 68 4.412 -15.147 6.932 1.00 0.00 C ATOM 1052 C ASP A 68 5.868 -14.688 7.101 1.00 0.00 C ATOM 1053 O ASP A 68 6.689 -15.437 7.633 1.00 0.00 O ATOM 1054 CB ASP A 68 4.231 -15.867 5.590 1.00 0.00 C ATOM 1055 CG ASP A 68 5.172 -17.072 5.446 1.00 0.00 C ATOM 1056 OD1 ASP A 68 5.082 -18.020 6.260 1.00 0.00 O ATOM 1057 OD2 ASP A 68 5.963 -17.102 4.476 1.00 0.00 O ATOM 0 H ASP A 68 3.023 -13.811 6.130 1.00 0.00 H new ATOM 0 HA ASP A 68 4.195 -15.835 7.749 1.00 0.00 H new ATOM 0 HB2 ASP A 68 3.198 -16.202 5.496 1.00 0.00 H new ATOM 0 HB3 ASP A 68 4.414 -15.166 4.776 1.00 0.00 H new ATOM 1062 N GLY A 69 6.184 -13.449 6.705 1.00 0.00 N ATOM 1063 CA GLY A 69 7.459 -12.782 6.968 1.00 0.00 C ATOM 1064 C GLY A 69 8.259 -12.476 5.697 1.00 0.00 C ATOM 1065 O GLY A 69 9.394 -12.004 5.785 1.00 0.00 O ATOM 0 H GLY A 69 5.536 -12.866 6.175 1.00 0.00 H new ATOM 0 HA2 GLY A 69 7.270 -11.851 7.503 1.00 0.00 H new ATOM 0 HA3 GLY A 69 8.061 -13.410 7.625 1.00 0.00 H new ATOM 1069 N LYS A 70 7.700 -12.762 4.520 1.00 0.00 N ATOM 1070 CA LYS A 70 8.330 -12.519 3.223 1.00 0.00 C ATOM 1071 C LYS A 70 8.336 -11.014 2.995 1.00 0.00 C ATOM 1072 O LYS A 70 7.318 -10.376 3.250 1.00 0.00 O ATOM 1073 CB LYS A 70 7.502 -13.210 2.124 1.00 0.00 C ATOM 1074 CG LYS A 70 7.362 -14.732 2.309 1.00 0.00 C ATOM 1075 CD LYS A 70 8.550 -15.491 1.705 1.00 0.00 C ATOM 1076 CE LYS A 70 8.657 -16.950 2.173 1.00 0.00 C ATOM 1077 NZ LYS A 70 7.372 -17.693 2.160 1.00 0.00 N ATOM 0 H LYS A 70 6.773 -13.180 4.441 1.00 0.00 H new ATOM 0 HA LYS A 70 9.346 -12.913 3.198 1.00 0.00 H new ATOM 0 HB2 LYS A 70 6.508 -12.764 2.098 1.00 0.00 H new ATOM 0 HB3 LYS A 70 7.965 -13.013 1.157 1.00 0.00 H new ATOM 0 HG2 LYS A 70 7.285 -14.963 3.371 1.00 0.00 H new ATOM 0 HG3 LYS A 70 6.438 -15.072 1.841 1.00 0.00 H new ATOM 0 HD2 LYS A 70 8.466 -15.473 0.618 1.00 0.00 H new ATOM 0 HD3 LYS A 70 9.471 -14.968 1.962 1.00 0.00 H new ATOM 0 HE2 LYS A 70 9.371 -17.472 1.536 1.00 0.00 H new ATOM 0 HE3 LYS A 70 9.062 -16.966 3.185 1.00 0.00 H new ATOM 0 HZ1 LYS A 70 7.562 -18.715 2.136 1.00 0.00 H new ATOM 0 HZ2 LYS A 70 6.829 -17.462 3.016 1.00 0.00 H new ATOM 0 HZ3 LYS A 70 6.824 -17.423 1.319 1.00 0.00 H new ATOM 1091 N GLU A 71 9.433 -10.426 2.514 1.00 0.00 N ATOM 1092 CA GLU A 71 9.414 -9.025 2.109 1.00 0.00 C ATOM 1093 C GLU A 71 8.452 -8.899 0.934 1.00 0.00 C ATOM 1094 O GLU A 71 8.550 -9.659 -0.029 1.00 0.00 O ATOM 1095 CB GLU A 71 10.828 -8.530 1.779 1.00 0.00 C ATOM 1096 CG GLU A 71 10.815 -7.028 1.458 1.00 0.00 C ATOM 1097 CD GLU A 71 12.234 -6.445 1.410 1.00 0.00 C ATOM 1098 OE1 GLU A 71 12.931 -6.602 0.382 1.00 0.00 O ATOM 1099 OE2 GLU A 71 12.646 -5.816 2.409 1.00 0.00 O ATOM 0 H GLU A 71 10.332 -10.893 2.398 1.00 0.00 H new ATOM 0 HA GLU A 71 9.066 -8.388 2.922 1.00 0.00 H new ATOM 0 HB2 GLU A 71 11.492 -8.721 2.622 1.00 0.00 H new ATOM 0 HB3 GLU A 71 11.224 -9.085 0.929 1.00 0.00 H new ATOM 0 HG2 GLU A 71 10.322 -6.865 0.500 1.00 0.00 H new ATOM 0 HG3 GLU A 71 10.230 -6.500 2.211 1.00 0.00 H new ATOM 1106 N VAL A 72 7.519 -7.955 1.023 1.00 0.00 N ATOM 1107 CA VAL A 72 6.399 -7.826 0.098 1.00 0.00 C ATOM 1108 C VAL A 72 6.883 -7.710 -1.352 1.00 0.00 C ATOM 1109 O VAL A 72 6.308 -8.349 -2.233 1.00 0.00 O ATOM 1110 CB VAL A 72 5.530 -6.635 0.559 1.00 0.00 C ATOM 1111 CG1 VAL A 72 4.598 -6.102 -0.536 1.00 0.00 C ATOM 1112 CG2 VAL A 72 4.702 -7.029 1.794 1.00 0.00 C ATOM 0 H VAL A 72 7.521 -7.245 1.755 1.00 0.00 H new ATOM 0 HA VAL A 72 5.782 -8.724 0.114 1.00 0.00 H new ATOM 0 HB VAL A 72 6.221 -5.830 0.807 1.00 0.00 H new ATOM 0 HG11 VAL A 72 4.017 -5.267 -0.145 1.00 0.00 H new ATOM 0 HG12 VAL A 72 5.191 -5.765 -1.386 1.00 0.00 H new ATOM 0 HG13 VAL A 72 3.923 -6.895 -0.857 1.00 0.00 H new ATOM 0 HG21 VAL A 72 4.094 -6.181 2.110 1.00 0.00 H new ATOM 0 HG22 VAL A 72 4.053 -7.868 1.544 1.00 0.00 H new ATOM 0 HG23 VAL A 72 5.372 -7.317 2.604 1.00 0.00 H new ATOM 1122 N LEU A 73 7.943 -6.938 -1.616 1.00 0.00 N ATOM 1123 CA LEU A 73 8.419 -6.753 -2.985 1.00 0.00 C ATOM 1124 C LEU A 73 8.972 -8.062 -3.553 1.00 0.00 C ATOM 1125 O LEU A 73 8.757 -8.350 -4.728 1.00 0.00 O ATOM 1126 CB LEU A 73 9.487 -5.649 -3.068 1.00 0.00 C ATOM 1127 CG LEU A 73 9.007 -4.231 -2.696 1.00 0.00 C ATOM 1128 CD1 LEU A 73 10.164 -3.248 -2.905 1.00 0.00 C ATOM 1129 CD2 LEU A 73 7.795 -3.760 -3.512 1.00 0.00 C ATOM 0 H LEU A 73 8.480 -6.438 -0.907 1.00 0.00 H new ATOM 0 HA LEU A 73 7.563 -6.443 -3.585 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.314 -5.918 -2.411 1.00 0.00 H new ATOM 0 HB3 LEU A 73 9.882 -5.625 -4.084 1.00 0.00 H new ATOM 0 HG LEU A 73 8.690 -4.264 -1.654 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.837 -2.241 -2.645 1.00 0.00 H new ATOM 0 HD12 LEU A 73 11.003 -3.533 -2.270 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.476 -3.270 -3.949 1.00 0.00 H new ATOM 0 HD21 LEU A 73 7.512 -2.755 -3.197 1.00 0.00 H new ATOM 0 HD22 LEU A 73 8.051 -3.750 -4.571 1.00 0.00 H new ATOM 0 HD23 LEU A 73 6.959 -4.440 -3.348 1.00 0.00 H new ATOM 1141 N GLU A 74 9.651 -8.872 -2.737 1.00 0.00 N ATOM 1142 CA GLU A 74 10.176 -10.166 -3.167 1.00 0.00 C ATOM 1143 C GLU A 74 9.014 -11.151 -3.354 1.00 0.00 C ATOM 1144 O GLU A 74 8.948 -11.859 -4.358 1.00 0.00 O ATOM 1145 CB GLU A 74 11.186 -10.670 -2.120 1.00 0.00 C ATOM 1146 CG GLU A 74 11.960 -11.922 -2.558 1.00 0.00 C ATOM 1147 CD GLU A 74 12.950 -11.634 -3.703 1.00 0.00 C ATOM 1148 OE1 GLU A 74 14.097 -11.211 -3.431 1.00 0.00 O ATOM 1149 OE2 GLU A 74 12.603 -11.848 -4.886 1.00 0.00 O ATOM 0 H GLU A 74 9.851 -8.648 -1.762 1.00 0.00 H new ATOM 0 HA GLU A 74 10.692 -10.072 -4.123 1.00 0.00 H new ATOM 0 HB2 GLU A 74 11.897 -9.873 -1.901 1.00 0.00 H new ATOM 0 HB3 GLU A 74 10.656 -10.888 -1.193 1.00 0.00 H new ATOM 0 HG2 GLU A 74 12.504 -12.326 -1.704 1.00 0.00 H new ATOM 0 HG3 GLU A 74 11.254 -12.689 -2.877 1.00 0.00 H new ATOM 1156 N TYR A 75 8.067 -11.153 -2.410 1.00 0.00 N ATOM 1157 CA TYR A 75 6.896 -12.018 -2.415 1.00 0.00 C ATOM 1158 C TYR A 75 6.073 -11.808 -3.686 1.00 0.00 C ATOM 1159 O TYR A 75 5.695 -12.779 -4.341 1.00 0.00 O ATOM 1160 CB TYR A 75 6.064 -11.723 -1.156 1.00 0.00 C ATOM 1161 CG TYR A 75 4.873 -12.637 -0.946 1.00 0.00 C ATOM 1162 CD1 TYR A 75 5.072 -13.988 -0.603 1.00 0.00 C ATOM 1163 CD2 TYR A 75 3.564 -12.128 -1.070 1.00 0.00 C ATOM 1164 CE1 TYR A 75 3.967 -14.832 -0.384 1.00 0.00 C ATOM 1165 CE2 TYR A 75 2.456 -12.965 -0.846 1.00 0.00 C ATOM 1166 CZ TYR A 75 2.653 -14.322 -0.502 1.00 0.00 C ATOM 1167 OH TYR A 75 1.572 -15.129 -0.306 1.00 0.00 O ATOM 0 H TYR A 75 8.101 -10.533 -1.601 1.00 0.00 H new ATOM 0 HA TYR A 75 7.207 -13.063 -2.405 1.00 0.00 H new ATOM 0 HB2 TYR A 75 6.715 -11.793 -0.284 1.00 0.00 H new ATOM 0 HB3 TYR A 75 5.709 -10.694 -1.207 1.00 0.00 H new ATOM 0 HD1 TYR A 75 6.075 -14.378 -0.508 1.00 0.00 H new ATOM 0 HD2 TYR A 75 3.412 -11.093 -1.338 1.00 0.00 H new ATOM 0 HE1 TYR A 75 4.123 -15.869 -0.126 1.00 0.00 H new ATOM 0 HE2 TYR A 75 1.455 -12.571 -0.937 1.00 0.00 H new ATOM 0 HH TYR A 75 1.802 -15.833 0.336 1.00 0.00 H new ATOM 1177 N LEU A 76 5.818 -10.549 -4.052 1.00 0.00 N ATOM 1178 CA LEU A 76 5.072 -10.192 -5.253 1.00 0.00 C ATOM 1179 C LEU A 76 5.930 -10.366 -6.507 1.00 0.00 C ATOM 1180 O LEU A 76 5.399 -10.701 -7.564 1.00 0.00 O ATOM 1181 CB LEU A 76 4.594 -8.732 -5.152 1.00 0.00 C ATOM 1182 CG LEU A 76 3.491 -8.491 -4.101 1.00 0.00 C ATOM 1183 CD1 LEU A 76 3.183 -6.993 -4.023 1.00 0.00 C ATOM 1184 CD2 LEU A 76 2.214 -9.264 -4.441 1.00 0.00 C ATOM 0 H LEU A 76 6.130 -9.741 -3.513 1.00 0.00 H new ATOM 0 HA LEU A 76 4.212 -10.857 -5.331 1.00 0.00 H new ATOM 0 HB2 LEU A 76 5.449 -8.099 -4.915 1.00 0.00 H new ATOM 0 HB3 LEU A 76 4.224 -8.416 -6.127 1.00 0.00 H new ATOM 0 HG LEU A 76 3.853 -8.849 -3.137 1.00 0.00 H new ATOM 0 HD11 LEU A 76 2.404 -6.820 -3.281 1.00 0.00 H new ATOM 0 HD12 LEU A 76 4.084 -6.451 -3.736 1.00 0.00 H new ATOM 0 HD13 LEU A 76 2.842 -6.641 -4.996 1.00 0.00 H new ATOM 0 HD21 LEU A 76 1.458 -9.071 -3.680 1.00 0.00 H new ATOM 0 HD22 LEU A 76 1.841 -8.941 -5.413 1.00 0.00 H new ATOM 0 HD23 LEU A 76 2.432 -10.331 -4.473 1.00 0.00 H new ATOM 1196 N GLY A 77 7.242 -10.136 -6.403 1.00 0.00 N ATOM 1197 CA GLY A 77 8.170 -10.229 -7.522 1.00 0.00 C ATOM 1198 C GLY A 77 8.340 -11.664 -8.021 1.00 0.00 C ATOM 1199 O GLY A 77 8.544 -11.864 -9.217 1.00 0.00 O ATOM 0 H GLY A 77 7.691 -9.877 -5.525 1.00 0.00 H new ATOM 0 HA2 GLY A 77 7.813 -9.603 -8.340 1.00 0.00 H new ATOM 0 HA3 GLY A 77 9.140 -9.835 -7.219 1.00 0.00 H new ATOM 1203 N ASN A 78 8.242 -12.657 -7.129 1.00 0.00 N ATOM 1204 CA ASN A 78 8.281 -14.078 -7.473 1.00 0.00 C ATOM 1205 C ASN A 78 7.124 -14.415 -8.428 1.00 0.00 C ATOM 1206 O ASN A 78 5.970 -14.353 -7.997 1.00 0.00 O ATOM 1207 CB ASN A 78 8.179 -14.915 -6.186 1.00 0.00 C ATOM 1208 CG ASN A 78 8.100 -16.419 -6.447 1.00 0.00 C ATOM 1209 OD1 ASN A 78 8.262 -16.899 -7.566 1.00 0.00 O ATOM 1210 ND2 ASN A 78 7.840 -17.201 -5.414 1.00 0.00 N ATOM 0 H ASN A 78 8.131 -12.489 -6.129 1.00 0.00 H new ATOM 0 HA ASN A 78 9.221 -14.310 -7.974 1.00 0.00 H new ATOM 0 HB2 ASN A 78 9.044 -14.708 -5.557 1.00 0.00 H new ATOM 0 HB3 ASN A 78 7.296 -14.603 -5.627 1.00 0.00 H new ATOM 0 HD21 ASN A 78 7.773 -18.211 -5.543 1.00 0.00 H new ATOM 0 HD22 ASN A 78 7.707 -16.795 -4.488 1.00 0.00 H new ATOM 1217 N PRO A 79 7.370 -14.811 -9.693 1.00 0.00 N ATOM 1218 CA PRO A 79 6.295 -15.035 -10.647 1.00 0.00 C ATOM 1219 C PRO A 79 5.458 -16.282 -10.354 1.00 0.00 C ATOM 1220 O PRO A 79 4.327 -16.363 -10.834 1.00 0.00 O ATOM 1221 CB PRO A 79 6.948 -15.041 -12.024 1.00 0.00 C ATOM 1222 CG PRO A 79 8.355 -15.559 -11.731 1.00 0.00 C ATOM 1223 CD PRO A 79 8.662 -14.985 -10.344 1.00 0.00 C ATOM 0 HA PRO A 79 5.553 -14.240 -10.580 1.00 0.00 H new ATOM 0 HB2 PRO A 79 6.416 -15.689 -12.721 1.00 0.00 H new ATOM 0 HB3 PRO A 79 6.968 -14.045 -12.466 1.00 0.00 H new ATOM 0 HG2 PRO A 79 8.391 -16.648 -11.732 1.00 0.00 H new ATOM 0 HG3 PRO A 79 9.073 -15.216 -12.476 1.00 0.00 H new ATOM 0 HD2 PRO A 79 9.300 -15.660 -9.774 1.00 0.00 H new ATOM 0 HD3 PRO A 79 9.192 -14.036 -10.422 1.00 0.00 H new ATOM 1231 N ALA A 80 5.935 -17.207 -9.507 1.00 0.00 N ATOM 1232 CA ALA A 80 5.108 -18.306 -9.005 1.00 0.00 C ATOM 1233 C ALA A 80 3.928 -17.775 -8.168 1.00 0.00 C ATOM 1234 O ALA A 80 2.987 -18.516 -7.880 1.00 0.00 O ATOM 1235 CB ALA A 80 5.961 -19.248 -8.151 1.00 0.00 C ATOM 0 H ALA A 80 6.893 -17.212 -9.157 1.00 0.00 H new ATOM 0 HA ALA A 80 4.706 -18.848 -9.861 1.00 0.00 H new ATOM 0 HB1 ALA A 80 5.341 -20.064 -7.780 1.00 0.00 H new ATOM 0 HB2 ALA A 80 6.771 -19.654 -8.756 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.379 -18.697 -7.308 1.00 0.00 H new ATOM 1241 N ASN A 81 3.987 -16.500 -7.773 1.00 0.00 N ATOM 1242 CA ASN A 81 3.054 -15.803 -6.903 1.00 0.00 C ATOM 1243 C ASN A 81 2.701 -14.436 -7.520 1.00 0.00 C ATOM 1244 O ASN A 81 2.395 -13.487 -6.802 1.00 0.00 O ATOM 1245 CB ASN A 81 3.716 -15.687 -5.522 1.00 0.00 C ATOM 1246 CG ASN A 81 2.791 -15.100 -4.461 1.00 0.00 C ATOM 1247 OD1 ASN A 81 1.672 -15.562 -4.254 1.00 0.00 O ATOM 1248 ND2 ASN A 81 3.270 -14.106 -3.740 1.00 0.00 N ATOM 0 H ASN A 81 4.745 -15.890 -8.079 1.00 0.00 H new ATOM 0 HA ASN A 81 2.113 -16.342 -6.792 1.00 0.00 H new ATOM 0 HB2 ASN A 81 4.047 -16.675 -5.200 1.00 0.00 H new ATOM 0 HB3 ASN A 81 4.606 -15.064 -5.604 1.00 0.00 H new ATOM 0 HD21 ASN A 81 2.708 -13.703 -2.990 1.00 0.00 H new ATOM 0 HD22 ASN A 81 4.203 -13.740 -3.932 1.00 0.00 H new ATOM 1255 N TYR A 82 2.771 -14.306 -8.854 1.00 0.00 N ATOM 1256 CA TYR A 82 2.269 -13.126 -9.558 1.00 0.00 C ATOM 1257 C TYR A 82 0.766 -12.898 -9.316 1.00 0.00 C ATOM 1258 O TYR A 82 0.424 -11.779 -8.936 1.00 0.00 O ATOM 1259 CB TYR A 82 2.564 -13.203 -11.073 1.00 0.00 C ATOM 1260 CG TYR A 82 3.839 -12.577 -11.628 1.00 0.00 C ATOM 1261 CD1 TYR A 82 4.796 -11.917 -10.823 1.00 0.00 C ATOM 1262 CD2 TYR A 82 4.035 -12.625 -13.023 1.00 0.00 C ATOM 1263 CE1 TYR A 82 5.920 -11.309 -11.409 1.00 0.00 C ATOM 1264 CE2 TYR A 82 5.154 -12.015 -13.615 1.00 0.00 C ATOM 1265 CZ TYR A 82 6.105 -11.349 -12.809 1.00 0.00 C ATOM 1266 OH TYR A 82 7.194 -10.747 -13.364 1.00 0.00 O ATOM 0 H TYR A 82 3.175 -15.014 -9.468 1.00 0.00 H new ATOM 0 HA TYR A 82 2.803 -12.270 -9.145 1.00 0.00 H new ATOM 0 HB2 TYR A 82 2.572 -14.257 -11.350 1.00 0.00 H new ATOM 0 HB3 TYR A 82 1.723 -12.743 -11.592 1.00 0.00 H new ATOM 0 HD1 TYR A 82 4.663 -11.880 -9.752 1.00 0.00 H new ATOM 0 HD2 TYR A 82 3.316 -13.137 -13.645 1.00 0.00 H new ATOM 0 HE1 TYR A 82 6.646 -10.809 -10.785 1.00 0.00 H new ATOM 0 HE2 TYR A 82 5.287 -12.055 -14.686 1.00 0.00 H new ATOM 0 HH TYR A 82 7.174 -10.867 -14.336 1.00 0.00 H new ATOM 1276 N PRO A 83 -0.146 -13.871 -9.533 1.00 0.00 N ATOM 1277 CA PRO A 83 -1.570 -13.634 -9.324 1.00 0.00 C ATOM 1278 C PRO A 83 -1.865 -13.541 -7.822 1.00 0.00 C ATOM 1279 O PRO A 83 -1.641 -14.499 -7.078 1.00 0.00 O ATOM 1280 CB PRO A 83 -2.298 -14.798 -10.003 1.00 0.00 C ATOM 1281 CG PRO A 83 -1.272 -15.929 -9.984 1.00 0.00 C ATOM 1282 CD PRO A 83 0.065 -15.199 -10.097 1.00 0.00 C ATOM 0 HA PRO A 83 -1.908 -12.691 -9.754 1.00 0.00 H new ATOM 0 HB2 PRO A 83 -3.205 -15.072 -9.464 1.00 0.00 H new ATOM 0 HB3 PRO A 83 -2.596 -14.545 -11.021 1.00 0.00 H new ATOM 0 HG2 PRO A 83 -1.334 -16.512 -9.065 1.00 0.00 H new ATOM 0 HG3 PRO A 83 -1.423 -16.622 -10.812 1.00 0.00 H new ATOM 0 HD2 PRO A 83 0.846 -15.732 -9.555 1.00 0.00 H new ATOM 0 HD3 PRO A 83 0.386 -15.134 -11.137 1.00 0.00 H new ATOM 1290 N VAL A 84 -2.381 -12.394 -7.382 1.00 0.00 N ATOM 1291 CA VAL A 84 -2.676 -12.073 -5.989 1.00 0.00 C ATOM 1292 C VAL A 84 -3.899 -11.152 -5.910 1.00 0.00 C ATOM 1293 O VAL A 84 -4.396 -10.657 -6.924 1.00 0.00 O ATOM 1294 CB VAL A 84 -1.459 -11.378 -5.325 1.00 0.00 C ATOM 1295 CG1 VAL A 84 -0.253 -12.311 -5.175 1.00 0.00 C ATOM 1296 CG2 VAL A 84 -1.030 -10.099 -6.065 1.00 0.00 C ATOM 0 H VAL A 84 -2.615 -11.630 -8.016 1.00 0.00 H new ATOM 0 HA VAL A 84 -2.888 -13.001 -5.458 1.00 0.00 H new ATOM 0 HB VAL A 84 -1.804 -11.101 -4.329 1.00 0.00 H new ATOM 0 HG11 VAL A 84 0.569 -11.771 -4.705 1.00 0.00 H new ATOM 0 HG12 VAL A 84 -0.528 -13.164 -4.555 1.00 0.00 H new ATOM 0 HG13 VAL A 84 0.060 -12.662 -6.158 1.00 0.00 H new ATOM 0 HG21 VAL A 84 -0.174 -9.654 -5.557 1.00 0.00 H new ATOM 0 HG22 VAL A 84 -0.755 -10.347 -7.090 1.00 0.00 H new ATOM 0 HG23 VAL A 84 -1.857 -9.389 -6.073 1.00 0.00 H new ATOM 1306 N SER A 85 -4.343 -10.887 -4.685 1.00 0.00 N ATOM 1307 CA SER A 85 -5.329 -9.872 -4.360 1.00 0.00 C ATOM 1308 C SER A 85 -4.653 -9.009 -3.297 1.00 0.00 C ATOM 1309 O SER A 85 -3.971 -9.550 -2.423 1.00 0.00 O ATOM 1310 CB SER A 85 -6.627 -10.510 -3.856 1.00 0.00 C ATOM 1311 OG SER A 85 -7.161 -11.395 -4.828 1.00 0.00 O ATOM 0 H SER A 85 -4.011 -11.394 -3.864 1.00 0.00 H new ATOM 0 HA SER A 85 -5.625 -9.278 -5.225 1.00 0.00 H new ATOM 0 HB2 SER A 85 -6.436 -11.052 -2.930 1.00 0.00 H new ATOM 0 HB3 SER A 85 -7.355 -9.732 -3.626 1.00 0.00 H new ATOM 0 HG SER A 85 -7.989 -11.794 -4.487 1.00 0.00 H new ATOM 1317 N ILE A 86 -4.790 -7.690 -3.378 1.00 0.00 N ATOM 1318 CA ILE A 86 -4.094 -6.750 -2.504 1.00 0.00 C ATOM 1319 C ILE A 86 -5.150 -5.781 -1.992 1.00 0.00 C ATOM 1320 O ILE A 86 -6.001 -5.333 -2.764 1.00 0.00 O ATOM 1321 CB ILE A 86 -2.941 -6.035 -3.256 1.00 0.00 C ATOM 1322 CG1 ILE A 86 -1.962 -7.066 -3.869 1.00 0.00 C ATOM 1323 CG2 ILE A 86 -2.199 -5.062 -2.319 1.00 0.00 C ATOM 1324 CD1 ILE A 86 -0.689 -6.474 -4.489 1.00 0.00 C ATOM 0 H ILE A 86 -5.396 -7.236 -4.062 1.00 0.00 H new ATOM 0 HA ILE A 86 -3.615 -7.258 -1.667 1.00 0.00 H new ATOM 0 HB ILE A 86 -3.374 -5.455 -4.071 1.00 0.00 H new ATOM 0 HG12 ILE A 86 -1.673 -7.774 -3.092 1.00 0.00 H new ATOM 0 HG13 ILE A 86 -2.490 -7.633 -4.636 1.00 0.00 H new ATOM 0 HG21 ILE A 86 -1.394 -4.572 -2.867 1.00 0.00 H new ATOM 0 HG22 ILE A 86 -2.896 -4.311 -1.949 1.00 0.00 H new ATOM 0 HG23 ILE A 86 -1.781 -5.615 -1.478 1.00 0.00 H new ATOM 0 HD11 ILE A 86 -0.072 -7.278 -4.890 1.00 0.00 H new ATOM 0 HD12 ILE A 86 -0.960 -5.790 -5.293 1.00 0.00 H new ATOM 0 HD13 ILE A 86 -0.130 -5.933 -3.725 1.00 0.00 H new ATOM 1336 N ARG A 87 -5.080 -5.458 -0.700 1.00 0.00 N ATOM 1337 CA ARG A 87 -5.946 -4.502 -0.026 1.00 0.00 C ATOM 1338 C ARG A 87 -5.051 -3.373 0.448 1.00 0.00 C ATOM 1339 O ARG A 87 -3.973 -3.642 0.989 1.00 0.00 O ATOM 1340 CB ARG A 87 -6.687 -5.204 1.124 1.00 0.00 C ATOM 1341 CG ARG A 87 -7.728 -4.303 1.808 1.00 0.00 C ATOM 1342 CD ARG A 87 -8.697 -5.093 2.697 1.00 0.00 C ATOM 1343 NE ARG A 87 -8.025 -5.747 3.835 1.00 0.00 N ATOM 1344 CZ ARG A 87 -7.852 -7.064 4.020 1.00 0.00 C ATOM 1345 NH1 ARG A 87 -8.180 -7.954 3.086 1.00 0.00 N ATOM 1346 NH2 ARG A 87 -7.336 -7.491 5.169 1.00 0.00 N ATOM 0 H ARG A 87 -4.390 -5.874 -0.074 1.00 0.00 H new ATOM 0 HA ARG A 87 -6.717 -4.097 -0.681 1.00 0.00 H new ATOM 0 HB2 ARG A 87 -7.183 -6.095 0.739 1.00 0.00 H new ATOM 0 HB3 ARG A 87 -5.961 -5.539 1.865 1.00 0.00 H new ATOM 0 HG2 ARG A 87 -7.215 -3.554 2.412 1.00 0.00 H new ATOM 0 HG3 ARG A 87 -8.294 -3.766 1.047 1.00 0.00 H new ATOM 0 HD2 ARG A 87 -9.468 -4.420 3.074 1.00 0.00 H new ATOM 0 HD3 ARG A 87 -9.201 -5.849 2.095 1.00 0.00 H new ATOM 0 HE ARG A 87 -7.652 -5.132 4.559 1.00 0.00 H new ATOM 0 HH11 ARG A 87 -8.575 -7.641 2.199 1.00 0.00 H new ATOM 0 HH12 ARG A 87 -8.036 -8.949 3.257 1.00 0.00 H new ATOM 0 HH21 ARG A 87 -7.079 -6.820 5.893 1.00 0.00 H new ATOM 0 HH22 ARG A 87 -7.198 -8.489 5.326 1.00 0.00 H new ATOM 1360 N PHE A 88 -5.476 -2.131 0.242 1.00 0.00 N ATOM 1361 CA PHE A 88 -4.651 -0.948 0.441 1.00 0.00 C ATOM 1362 C PHE A 88 -5.480 0.186 1.041 1.00 0.00 C ATOM 1363 O PHE A 88 -6.714 0.151 1.036 1.00 0.00 O ATOM 1364 CB PHE A 88 -3.995 -0.542 -0.898 1.00 0.00 C ATOM 1365 CG PHE A 88 -4.911 -0.576 -2.113 1.00 0.00 C ATOM 1366 CD1 PHE A 88 -5.968 0.348 -2.233 1.00 0.00 C ATOM 1367 CD2 PHE A 88 -4.720 -1.550 -3.115 1.00 0.00 C ATOM 1368 CE1 PHE A 88 -6.854 0.272 -3.322 1.00 0.00 C ATOM 1369 CE2 PHE A 88 -5.614 -1.628 -4.198 1.00 0.00 C ATOM 1370 CZ PHE A 88 -6.684 -0.722 -4.299 1.00 0.00 C ATOM 0 H PHE A 88 -6.422 -1.916 -0.074 1.00 0.00 H new ATOM 0 HA PHE A 88 -3.855 -1.172 1.151 1.00 0.00 H new ATOM 0 HB2 PHE A 88 -3.594 0.466 -0.795 1.00 0.00 H new ATOM 0 HB3 PHE A 88 -3.149 -1.204 -1.084 1.00 0.00 H new ATOM 0 HD1 PHE A 88 -6.098 1.117 -1.486 1.00 0.00 H new ATOM 0 HD2 PHE A 88 -3.888 -2.235 -3.051 1.00 0.00 H new ATOM 0 HE1 PHE A 88 -7.666 0.979 -3.407 1.00 0.00 H new ATOM 0 HE2 PHE A 88 -5.478 -2.387 -4.955 1.00 0.00 H new ATOM 0 HZ PHE A 88 -7.374 -0.790 -5.127 1.00 0.00 H new ATOM 1380 N GLY A 89 -4.799 1.210 1.555 1.00 0.00 N ATOM 1381 CA GLY A 89 -5.411 2.355 2.206 1.00 0.00 C ATOM 1382 C GLY A 89 -4.419 3.500 2.343 1.00 0.00 C ATOM 1383 O GLY A 89 -3.314 3.440 1.798 1.00 0.00 O ATOM 0 H GLY A 89 -3.781 1.262 1.526 1.00 0.00 H new ATOM 0 HA2 GLY A 89 -6.276 2.685 1.631 1.00 0.00 H new ATOM 0 HA3 GLY A 89 -5.776 2.065 3.192 1.00 0.00 H new ATOM 1387 N ARG A 90 -4.819 4.566 3.042 1.00 0.00 N ATOM 1388 CA ARG A 90 -3.901 5.660 3.355 1.00 0.00 C ATOM 1389 C ARG A 90 -2.795 5.088 4.260 1.00 0.00 C ATOM 1390 O ARG A 90 -3.139 4.455 5.265 1.00 0.00 O ATOM 1391 CB ARG A 90 -4.620 6.811 4.093 1.00 0.00 C ATOM 1392 CG ARG A 90 -5.971 7.302 3.544 1.00 0.00 C ATOM 1393 CD ARG A 90 -5.949 7.884 2.124 1.00 0.00 C ATOM 1394 NE ARG A 90 -7.178 8.662 1.878 1.00 0.00 N ATOM 1395 CZ ARG A 90 -7.482 9.355 0.772 1.00 0.00 C ATOM 1396 NH1 ARG A 90 -6.770 9.219 -0.341 1.00 0.00 N ATOM 1397 NH2 ARG A 90 -8.511 10.196 0.791 1.00 0.00 N ATOM 0 H ARG A 90 -5.766 4.693 3.399 1.00 0.00 H new ATOM 0 HA ARG A 90 -3.494 6.067 2.430 1.00 0.00 H new ATOM 0 HB2 ARG A 90 -4.775 6.497 5.125 1.00 0.00 H new ATOM 0 HB3 ARG A 90 -3.942 7.664 4.118 1.00 0.00 H new ATOM 0 HG2 ARG A 90 -6.673 6.468 3.563 1.00 0.00 H new ATOM 0 HG3 ARG A 90 -6.361 8.062 4.221 1.00 0.00 H new ATOM 0 HD2 ARG A 90 -5.074 8.521 1.997 1.00 0.00 H new ATOM 0 HD3 ARG A 90 -5.866 7.079 1.394 1.00 0.00 H new ATOM 0 HE ARG A 90 -7.869 8.674 2.628 1.00 0.00 H new ATOM 0 HH11 ARG A 90 -5.977 8.578 -0.364 1.00 0.00 H new ATOM 0 HH12 ARG A 90 -7.017 9.755 -1.173 1.00 0.00 H new ATOM 0 HH21 ARG A 90 -9.061 10.309 1.642 1.00 0.00 H new ATOM 0 HH22 ARG A 90 -8.750 10.728 -0.046 1.00 0.00 H new ATOM 1411 N PRO A 91 -1.499 5.286 3.968 1.00 0.00 N ATOM 1412 CA PRO A 91 -0.444 4.945 4.917 1.00 0.00 C ATOM 1413 C PRO A 91 -0.480 5.886 6.130 1.00 0.00 C ATOM 1414 O PRO A 91 -1.121 6.943 6.100 1.00 0.00 O ATOM 1415 CB PRO A 91 0.874 5.123 4.155 1.00 0.00 C ATOM 1416 CG PRO A 91 0.537 6.098 3.027 1.00 0.00 C ATOM 1417 CD PRO A 91 -0.947 5.863 2.751 1.00 0.00 C ATOM 0 HA PRO A 91 -0.564 3.929 5.294 1.00 0.00 H new ATOM 0 HB2 PRO A 91 1.656 5.520 4.802 1.00 0.00 H new ATOM 0 HB3 PRO A 91 1.237 4.173 3.763 1.00 0.00 H new ATOM 0 HG2 PRO A 91 0.727 7.129 3.323 1.00 0.00 H new ATOM 0 HG3 PRO A 91 1.141 5.904 2.141 1.00 0.00 H new ATOM 0 HD2 PRO A 91 -1.449 6.797 2.500 1.00 0.00 H new ATOM 0 HD3 PRO A 91 -1.084 5.190 1.904 1.00 0.00 H new ATOM 1425 N ARG A 92 0.249 5.524 7.194 1.00 0.00 N ATOM 1426 CA ARG A 92 0.485 6.436 8.316 1.00 0.00 C ATOM 1427 C ARG A 92 1.309 7.612 7.780 1.00 0.00 C ATOM 1428 O ARG A 92 2.165 7.397 6.915 1.00 0.00 O ATOM 1429 CB ARG A 92 1.161 5.697 9.492 1.00 0.00 C ATOM 1430 CG ARG A 92 2.644 5.365 9.258 1.00 0.00 C ATOM 1431 CD ARG A 92 3.208 4.361 10.273 1.00 0.00 C ATOM 1432 NE ARG A 92 4.638 4.558 10.590 1.00 0.00 N ATOM 1433 CZ ARG A 92 5.680 4.762 9.767 1.00 0.00 C ATOM 1434 NH1 ARG A 92 5.581 4.808 8.444 1.00 0.00 N ATOM 1435 NH2 ARG A 92 6.888 4.967 10.273 1.00 0.00 N ATOM 0 H ARG A 92 0.684 4.607 7.299 1.00 0.00 H new ATOM 0 HA ARG A 92 -0.451 6.819 8.723 1.00 0.00 H new ATOM 0 HB2 ARG A 92 1.075 6.310 10.389 1.00 0.00 H new ATOM 0 HB3 ARG A 92 0.619 4.771 9.685 1.00 0.00 H new ATOM 0 HG2 ARG A 92 2.765 4.962 8.253 1.00 0.00 H new ATOM 0 HG3 ARG A 92 3.227 6.285 9.305 1.00 0.00 H new ATOM 0 HD2 ARG A 92 2.630 4.430 11.195 1.00 0.00 H new ATOM 0 HD3 ARG A 92 3.069 3.352 9.885 1.00 0.00 H new ATOM 0 HE ARG A 92 4.869 4.536 11.583 1.00 0.00 H new ATOM 0 HH11 ARG A 92 4.673 4.685 7.996 1.00 0.00 H new ATOM 0 HH12 ARG A 92 6.413 4.967 7.876 1.00 0.00 H new ATOM 0 HH21 ARG A 92 7.024 4.969 11.284 1.00 0.00 H new ATOM 0 HH22 ARG A 92 7.682 5.122 9.651 1.00 0.00 H new ATOM 1449 N LEU A 93 1.087 8.824 8.297 1.00 0.00 N ATOM 1450 CA LEU A 93 1.648 10.065 7.748 1.00 0.00 C ATOM 1451 C LEU A 93 3.166 9.987 7.583 1.00 0.00 C ATOM 1452 O LEU A 93 3.704 10.406 6.559 1.00 0.00 O ATOM 1453 CB LEU A 93 1.212 11.244 8.645 1.00 0.00 C ATOM 1454 CG LEU A 93 1.586 12.678 8.206 1.00 0.00 C ATOM 1455 CD1 LEU A 93 3.032 13.077 8.532 1.00 0.00 C ATOM 1456 CD2 LEU A 93 1.279 12.952 6.729 1.00 0.00 C ATOM 0 H LEU A 93 0.504 8.974 9.121 1.00 0.00 H new ATOM 0 HA LEU A 93 1.258 10.223 6.742 1.00 0.00 H new ATOM 0 HB2 LEU A 93 0.128 11.200 8.747 1.00 0.00 H new ATOM 0 HB3 LEU A 93 1.633 11.080 9.637 1.00 0.00 H new ATOM 0 HG LEU A 93 0.938 13.312 8.811 1.00 0.00 H new ATOM 0 HD11 LEU A 93 3.214 14.096 8.192 1.00 0.00 H new ATOM 0 HD12 LEU A 93 3.191 13.020 9.609 1.00 0.00 H new ATOM 0 HD13 LEU A 93 3.719 12.398 8.027 1.00 0.00 H new ATOM 0 HD21 LEU A 93 1.564 13.975 6.482 1.00 0.00 H new ATOM 0 HD22 LEU A 93 1.842 12.258 6.105 1.00 0.00 H new ATOM 0 HD23 LEU A 93 0.212 12.819 6.548 1.00 0.00 H new ATOM 1468 N THR A 94 3.847 9.396 8.561 1.00 0.00 N ATOM 1469 CA THR A 94 5.300 9.275 8.635 1.00 0.00 C ATOM 1470 C THR A 94 5.916 8.598 7.393 1.00 0.00 C ATOM 1471 O THR A 94 7.084 8.836 7.085 1.00 0.00 O ATOM 1472 CB THR A 94 5.650 8.509 9.929 1.00 0.00 C ATOM 1473 OG1 THR A 94 4.707 8.792 10.957 1.00 0.00 O ATOM 1474 CG2 THR A 94 7.049 8.849 10.451 1.00 0.00 C ATOM 0 H THR A 94 3.379 8.969 9.360 1.00 0.00 H new ATOM 0 HA THR A 94 5.733 10.275 8.656 1.00 0.00 H new ATOM 0 HB THR A 94 5.622 7.451 9.669 1.00 0.00 H new ATOM 0 HG1 THR A 94 4.947 8.295 11.767 1.00 0.00 H new ATOM 0 HG21 THR A 94 7.245 8.284 11.362 1.00 0.00 H new ATOM 0 HG22 THR A 94 7.792 8.590 9.696 1.00 0.00 H new ATOM 0 HG23 THR A 94 7.108 9.916 10.666 1.00 0.00 H new ATOM 1482 N SER A 95 5.141 7.789 6.659 1.00 0.00 N ATOM 1483 CA SER A 95 5.612 7.072 5.475 1.00 0.00 C ATOM 1484 C SER A 95 5.938 8.008 4.299 1.00 0.00 C ATOM 1485 O SER A 95 6.631 7.588 3.368 1.00 0.00 O ATOM 1486 CB SER A 95 4.573 6.033 5.029 1.00 0.00 C ATOM 1487 OG SER A 95 3.911 5.443 6.138 1.00 0.00 O ATOM 0 H SER A 95 4.160 7.615 6.876 1.00 0.00 H new ATOM 0 HA SER A 95 6.538 6.575 5.764 1.00 0.00 H new ATOM 0 HB2 SER A 95 3.839 6.508 4.378 1.00 0.00 H new ATOM 0 HB3 SER A 95 5.064 5.256 4.443 1.00 0.00 H new ATOM 0 HG SER A 95 3.168 6.017 6.419 1.00 0.00 H new ATOM 1493 N ASN A 96 5.417 9.244 4.315 1.00 0.00 N ATOM 1494 CA ASN A 96 5.628 10.241 3.269 1.00 0.00 C ATOM 1495 C ASN A 96 7.115 10.511 3.062 1.00 0.00 C ATOM 1496 O ASN A 96 7.816 10.804 4.054 1.00 0.00 O ATOM 1497 CB ASN A 96 4.908 11.548 3.619 1.00 0.00 C ATOM 1498 CG ASN A 96 5.234 12.618 2.583 1.00 0.00 C ATOM 1499 OD1 ASN A 96 4.698 12.611 1.479 1.00 0.00 O ATOM 1500 ND2 ASN A 96 6.115 13.551 2.903 1.00 0.00 N ATOM 1501 OXT ASN A 96 7.568 10.475 1.901 1.00 0.00 O ATOM 0 H ASN A 96 4.825 9.580 5.075 1.00 0.00 H new ATOM 0 HA ASN A 96 5.215 9.843 2.342 1.00 0.00 H new ATOM 0 HB2 ASN A 96 3.831 11.381 3.655 1.00 0.00 H new ATOM 0 HB3 ASN A 96 5.211 11.886 4.610 1.00 0.00 H new ATOM 0 HD21 ASN A 96 6.357 14.277 2.229 1.00 0.00 H new ATOM 0 HD22 ASN A 96 6.553 13.545 3.824 1.00 0.00 H new TER 1508 ASN A 96