USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 861 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 73 HIS : no HD1:sc=-0.00102 K(o=-1.1,f=-1.7) USER MOD Set 1.2: A 77 ASN : amide:sc= -1.14 K(o=-1.1,f=-3.1!) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.11 (180deg=-0.0785) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.915 K(o=-0.91,f=-0.074) USER MOD Single : A 6 HIS : no HD1:sc= -0.659 K(o=-0.66,f=0) USER MOD Single : A 7 HIS : no HD1:sc= -0.0259 X(o=-0.026,f=-0.015) USER MOD Single : A 8 HIS : no HE2:sc= 0.851 K(o=0.85,f=-2.9!) USER MOD Single : A 9 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 SER OG : rot 180:sc= 0.0598 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= 1.09 K(o=1.1,f=-0.33) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= -1.28 K(o=-1.3,f=-0.53) USER MOD Single : A 22 HIS : no HD1:sc= -0.608 X(o=-0.61,f=-0.17) USER MOD Single : A 23 MET CE :methyl -163:sc= -0.0637 (180deg=-0.438) USER MOD Single : A 24 CYS SG : rot 180:sc= 0.0265 USER MOD Single : A 26 GLN : amide:sc= -1.34! K(o=-1.3!,f=-0.69) USER MOD Single : A 27 LYS NZ :NH3+ 179:sc= 1.17 (180deg=1.12) USER MOD Single : A 32 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 34 SER OG : rot 93:sc= 1.26 USER MOD Single : A 35 SER OG : rot 79:sc= 1.3 USER MOD Single : A 38 LYS NZ :NH3+ -158:sc= 0.154 (180deg=-0.106) USER MOD Single : A 40 THR OG1 : rot -9:sc= 0.587 USER MOD Single : A 47 LYS NZ :NH3+ 162:sc= -0.0781 (180deg=-0.39) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 49 CYS SG : rot -127:sc= 1.39 USER MOD Single : A 51 CYS SG : rot 180:sc= 0 USER MOD Single : A 53 THR OG1 : rot -124:sc= 0.371 USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 110:sc= 1.55 USER MOD Single : A 62 ASN : amide:sc= 1.03 K(o=1,f=-0.073) USER MOD Single : A 63 ASN : amide:sc=-0.00112 K(o=-0.0011,f=-0.82) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 78 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.796 K(o=0.8,f=-0.42) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc=-0.00385 X(o=-0.0039,f=0) USER MOD Single : A 91 SER OG : rot 180:sc= 0 USER MOD Single : A 92 MET CE :methyl -158:sc= -0.154 (180deg=-0.652) USER MOD Single : A 93 LYS NZ :NH3+ -134:sc= -1.44 (180deg=-3.86!) USER MOD Single : A 94 CYS SG : rot -120:sc= -0.0304 USER MOD Single : A 95 HIS : no HE2:sc= 0.769 K(o=0.77,f=-5.4!) USER MOD Single : A 96 THR OG1 : rot -70:sc= 1.18 USER MOD Single : A 100 TYR OH : rot 180:sc= 0 USER MOD Single : A 102 LYS NZ :NH3+ -171:sc= 0.736 (180deg=0.526) USER MOD Single : A 104 LYS NZ :NH3+ -106:sc= 0.086 (180deg=0) USER MOD Single : A 105 SER OG : rot 80:sc= 1.24 USER MOD Single : A 106 LYS NZ :NH3+ 140:sc= 1.15 (180deg=0.91) USER MOD Single : A 108 SER OG : rot 180:sc= -0.15 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -15.321 9.209 7.952 1.00 34.77 N ATOM 2 CA MET A 1 -16.365 9.278 6.907 1.00 34.67 C ATOM 3 C MET A 1 -15.759 8.959 5.546 1.00 34.12 C ATOM 4 O MET A 1 -14.573 8.649 5.451 1.00 34.13 O ATOM 5 CB MET A 1 -17.010 10.669 6.882 1.00 35.09 C ATOM 6 CG MET A 1 -16.049 11.787 6.513 1.00 35.29 C ATOM 7 SD MET A 1 -16.841 13.408 6.504 1.00 35.98 S ATOM 8 CE MET A 1 -15.482 14.437 5.952 1.00 36.14 C ATOM 0 H1 MET A 1 -15.341 10.079 8.521 1.00 34.77 H new ATOM 0 H2 MET A 1 -15.499 8.389 8.567 1.00 34.77 H new ATOM 0 H3 MET A 1 -14.388 9.110 7.504 1.00 34.77 H new ATOM 0 HA MET A 1 -17.136 8.543 7.136 1.00 34.67 H new ATOM 0 HB2 MET A 1 -17.836 10.663 6.170 1.00 35.09 H new ATOM 0 HB3 MET A 1 -17.436 10.879 7.863 1.00 35.09 H new ATOM 0 HG2 MET A 1 -15.219 11.796 7.220 1.00 35.29 H new ATOM 0 HG3 MET A 1 -15.627 11.588 5.528 1.00 35.29 H new ATOM 0 HE1 MET A 1 -15.811 15.474 5.894 1.00 36.14 H new ATOM 0 HE2 MET A 1 -14.655 14.358 6.658 1.00 36.14 H new ATOM 0 HE3 MET A 1 -15.151 14.106 4.968 1.00 36.14 H new ATOM 20 N GLY A 2 -16.569 9.038 4.498 1.00 33.70 N ATOM 21 CA GLY A 2 -16.064 8.794 3.162 1.00 33.20 C ATOM 22 C GLY A 2 -16.600 7.512 2.565 1.00 32.51 C ATOM 23 O GLY A 2 -15.968 6.909 1.697 1.00 32.38 O ATOM 0 H GLY A 2 -17.562 9.266 4.549 1.00 33.70 H new ATOM 0 HA2 GLY A 2 -16.332 9.631 2.517 1.00 33.20 H new ATOM 0 HA3 GLY A 2 -14.975 8.750 3.191 1.00 33.20 H new ATOM 27 N SER A 3 -17.764 7.087 3.028 1.00 32.14 N ATOM 28 CA SER A 3 -18.399 5.889 2.502 1.00 31.53 C ATOM 29 C SER A 3 -19.512 6.271 1.534 1.00 30.66 C ATOM 30 O SER A 3 -20.129 5.414 0.900 1.00 30.36 O ATOM 31 CB SER A 3 -18.960 5.044 3.647 1.00 31.79 C ATOM 32 OG SER A 3 -17.945 4.717 4.581 1.00 32.35 O ATOM 0 H SER A 3 -18.289 7.554 3.767 1.00 32.14 H new ATOM 0 HA SER A 3 -17.654 5.300 1.966 1.00 31.53 H new ATOM 0 HB2 SER A 3 -19.759 5.590 4.149 1.00 31.79 H new ATOM 0 HB3 SER A 3 -19.400 4.130 3.248 1.00 31.79 H new ATOM 0 HG SER A 3 -18.328 4.178 5.305 1.00 32.35 H new ATOM 38 N SER A 4 -19.748 7.568 1.424 1.00 30.35 N ATOM 39 CA SER A 4 -20.812 8.092 0.589 1.00 29.61 C ATOM 40 C SER A 4 -20.221 8.809 -0.618 1.00 28.85 C ATOM 41 O SER A 4 -19.147 9.405 -0.524 1.00 28.81 O ATOM 42 CB SER A 4 -21.661 9.057 1.413 1.00 29.84 C ATOM 43 OG SER A 4 -21.860 8.552 2.723 1.00 30.38 O ATOM 0 H SER A 4 -19.208 8.284 1.910 1.00 30.35 H new ATOM 0 HA SER A 4 -21.437 7.273 0.232 1.00 29.61 H new ATOM 0 HB2 SER A 4 -21.171 10.029 1.463 1.00 29.84 H new ATOM 0 HB3 SER A 4 -22.624 9.210 0.926 1.00 29.84 H new ATOM 0 HG SER A 4 -22.404 9.184 3.238 1.00 30.38 H new ATOM 49 N HIS A 5 -20.910 8.758 -1.751 1.00 28.34 N ATOM 50 CA HIS A 5 -20.397 9.393 -2.957 1.00 27.68 C ATOM 51 C HIS A 5 -20.928 10.819 -3.107 1.00 27.14 C ATOM 52 O HIS A 5 -21.958 11.057 -3.726 1.00 26.86 O ATOM 53 CB HIS A 5 -20.677 8.552 -4.222 1.00 27.51 C ATOM 54 CG HIS A 5 -22.094 8.065 -4.395 1.00 27.78 C ATOM 55 ND1 HIS A 5 -22.446 6.737 -4.278 1.00 27.73 N ATOM 56 CD2 HIS A 5 -23.235 8.722 -4.725 1.00 28.20 C ATOM 57 CE1 HIS A 5 -23.737 6.600 -4.524 1.00 28.10 C ATOM 58 NE2 HIS A 5 -24.239 7.789 -4.797 1.00 28.39 N ATOM 0 H HIS A 5 -21.811 8.292 -1.860 1.00 28.34 H new ATOM 0 HA HIS A 5 -19.314 9.452 -2.848 1.00 27.68 H new ATOM 0 HB2 HIS A 5 -20.410 9.147 -5.095 1.00 27.51 H new ATOM 0 HB3 HIS A 5 -20.015 7.686 -4.211 1.00 27.51 H new ATOM 0 HD2 HIS A 5 -23.334 9.783 -4.899 1.00 28.20 H new ATOM 0 HE1 HIS A 5 -24.288 5.671 -4.505 1.00 28.10 H new ATOM 0 HE2 HIS A 5 -25.214 7.983 -5.024 1.00 28.39 H new ATOM 67 N HIS A 6 -20.225 11.766 -2.498 1.00 27.11 N ATOM 68 CA HIS A 6 -20.562 13.181 -2.646 1.00 26.72 C ATOM 69 C HIS A 6 -19.504 13.891 -3.480 1.00 26.14 C ATOM 70 O HIS A 6 -19.458 15.119 -3.524 1.00 26.08 O ATOM 71 CB HIS A 6 -20.683 13.868 -1.281 1.00 27.14 C ATOM 72 CG HIS A 6 -21.891 13.468 -0.494 1.00 27.63 C ATOM 73 ND1 HIS A 6 -23.091 14.139 -0.568 1.00 27.73 N ATOM 74 CD2 HIS A 6 -22.074 12.471 0.404 1.00 28.14 C ATOM 75 CE1 HIS A 6 -23.961 13.572 0.247 1.00 28.29 C ATOM 76 NE2 HIS A 6 -23.368 12.561 0.847 1.00 28.54 N ATOM 0 H HIS A 6 -19.420 11.583 -1.898 1.00 27.11 H new ATOM 0 HA HIS A 6 -21.526 13.242 -3.152 1.00 26.72 H new ATOM 0 HB2 HIS A 6 -19.792 13.644 -0.695 1.00 27.14 H new ATOM 0 HB3 HIS A 6 -20.703 14.947 -1.431 1.00 27.14 H new ATOM 0 HD2 HIS A 6 -21.339 11.742 0.713 1.00 28.14 H new ATOM 0 HE1 HIS A 6 -24.984 13.884 0.396 1.00 28.29 H new ATOM 0 HE2 HIS A 6 -23.802 11.943 1.532 1.00 28.54 H new ATOM 85 N HIS A 7 -18.656 13.110 -4.138 1.00 25.80 N ATOM 86 CA HIS A 7 -17.573 13.657 -4.947 1.00 25.30 C ATOM 87 C HIS A 7 -17.044 12.599 -5.910 1.00 24.72 C ATOM 88 O HIS A 7 -16.992 11.416 -5.575 1.00 24.71 O ATOM 89 CB HIS A 7 -16.432 14.188 -4.058 1.00 25.34 C ATOM 90 CG HIS A 7 -15.793 13.151 -3.178 1.00 25.73 C ATOM 91 ND1 HIS A 7 -14.502 12.706 -3.353 1.00 25.90 N ATOM 92 CD2 HIS A 7 -16.276 12.477 -2.106 1.00 26.10 C ATOM 93 CE1 HIS A 7 -14.219 11.802 -2.432 1.00 26.34 C ATOM 94 NE2 HIS A 7 -15.279 11.647 -1.662 1.00 26.47 N ATOM 0 H HIS A 7 -18.698 12.091 -4.127 1.00 25.80 H new ATOM 0 HA HIS A 7 -17.970 14.492 -5.524 1.00 25.30 H new ATOM 0 HB2 HIS A 7 -15.665 14.627 -4.696 1.00 25.34 H new ATOM 0 HB3 HIS A 7 -16.821 14.990 -3.430 1.00 25.34 H new ATOM 0 HD2 HIS A 7 -17.264 12.575 -1.680 1.00 26.10 H new ATOM 0 HE1 HIS A 7 -13.280 11.279 -2.327 1.00 26.34 H new ATOM 0 HE2 HIS A 7 -15.346 11.013 -0.866 1.00 26.47 H new ATOM 103 N HIS A 8 -16.675 13.031 -7.106 1.00 24.34 N ATOM 104 CA HIS A 8 -16.138 12.134 -8.122 1.00 23.83 C ATOM 105 C HIS A 8 -14.613 12.108 -8.034 1.00 23.17 C ATOM 106 O HIS A 8 -13.994 13.108 -7.669 1.00 23.09 O ATOM 107 CB HIS A 8 -16.583 12.611 -9.509 1.00 23.99 C ATOM 108 CG HIS A 8 -16.371 11.614 -10.609 1.00 24.04 C ATOM 109 ND1 HIS A 8 -15.203 11.523 -11.335 1.00 24.18 N ATOM 110 CD2 HIS A 8 -17.204 10.679 -11.125 1.00 24.09 C ATOM 111 CE1 HIS A 8 -15.328 10.582 -12.251 1.00 24.31 C ATOM 112 NE2 HIS A 8 -16.529 10.054 -12.141 1.00 24.25 N ATOM 0 H HIS A 8 -16.738 14.006 -7.400 1.00 24.34 H new ATOM 0 HA HIS A 8 -16.515 11.125 -7.955 1.00 23.83 H new ATOM 0 HB2 HIS A 8 -17.641 12.868 -9.468 1.00 23.99 H new ATOM 0 HB3 HIS A 8 -16.042 13.525 -9.755 1.00 23.99 H new ATOM 0 HD1 HIS A 8 -14.371 12.094 -11.187 1.00 24.18 H new ATOM 0 HD2 HIS A 8 -18.211 10.466 -10.797 1.00 24.09 H new ATOM 0 HE1 HIS A 8 -14.574 10.294 -12.969 1.00 24.31 H new ATOM 121 N HIS A 9 -14.011 10.970 -8.350 1.00 22.79 N ATOM 122 CA HIS A 9 -12.555 10.847 -8.328 1.00 22.26 C ATOM 123 C HIS A 9 -11.942 11.376 -9.620 1.00 21.56 C ATOM 124 O HIS A 9 -12.640 11.931 -10.472 1.00 21.72 O ATOM 125 CB HIS A 9 -12.129 9.396 -8.096 1.00 22.51 C ATOM 126 CG HIS A 9 -12.263 8.953 -6.671 1.00 22.98 C ATOM 127 ND1 HIS A 9 -11.189 8.831 -5.816 1.00 23.33 N ATOM 128 CD2 HIS A 9 -13.354 8.608 -5.948 1.00 23.25 C ATOM 129 CE1 HIS A 9 -11.613 8.427 -4.634 1.00 23.80 C ATOM 130 NE2 HIS A 9 -12.924 8.288 -4.684 1.00 23.76 N ATOM 0 H HIS A 9 -14.504 10.120 -8.624 1.00 22.79 H new ATOM 0 HA HIS A 9 -12.186 11.451 -7.499 1.00 22.26 H new ATOM 0 HB2 HIS A 9 -12.731 8.744 -8.729 1.00 22.51 H new ATOM 0 HB3 HIS A 9 -11.092 9.276 -8.409 1.00 22.51 H new ATOM 0 HD2 HIS A 9 -14.375 8.588 -6.300 1.00 23.25 H new ATOM 0 HE1 HIS A 9 -10.991 8.241 -3.771 1.00 23.80 H new ATOM 0 HE2 HIS A 9 -13.520 7.992 -3.911 1.00 23.76 H new ATOM 139 N HIS A 10 -10.635 11.208 -9.756 1.00 20.90 N ATOM 140 CA HIS A 10 -9.914 11.726 -10.911 1.00 20.28 C ATOM 141 C HIS A 10 -9.716 10.655 -11.971 1.00 19.70 C ATOM 142 O HIS A 10 -9.246 9.556 -11.683 1.00 19.62 O ATOM 143 CB HIS A 10 -8.555 12.293 -10.490 1.00 20.26 C ATOM 144 CG HIS A 10 -8.642 13.609 -9.787 1.00 20.06 C ATOM 145 ND1 HIS A 10 -8.405 14.810 -10.417 1.00 19.78 N ATOM 146 CD2 HIS A 10 -8.933 13.914 -8.500 1.00 20.24 C ATOM 147 CE1 HIS A 10 -8.543 15.795 -9.551 1.00 19.80 C ATOM 148 NE2 HIS A 10 -8.865 15.280 -8.380 1.00 20.08 N ATOM 0 H HIS A 10 -10.051 10.716 -9.080 1.00 20.90 H new ATOM 0 HA HIS A 10 -10.519 12.525 -11.340 1.00 20.28 H new ATOM 0 HB2 HIS A 10 -8.059 11.575 -9.837 1.00 20.26 H new ATOM 0 HB3 HIS A 10 -7.929 12.405 -11.375 1.00 20.26 H new ATOM 0 HD2 HIS A 10 -9.174 13.213 -7.714 1.00 20.24 H new ATOM 0 HE1 HIS A 10 -8.414 16.846 -9.764 1.00 19.80 H new ATOM 0 HE2 HIS A 10 -9.036 15.810 -7.525 1.00 20.08 H new ATOM 157 N SER A 11 -10.077 10.993 -13.199 1.00 19.43 N ATOM 158 CA SER A 11 -9.871 10.114 -14.336 1.00 19.01 C ATOM 159 C SER A 11 -8.482 10.350 -14.943 1.00 18.01 C ATOM 160 O SER A 11 -7.527 10.646 -14.219 1.00 18.01 O ATOM 161 CB SER A 11 -10.981 10.367 -15.363 1.00 19.28 C ATOM 162 OG SER A 11 -11.260 11.754 -15.482 1.00 19.89 O ATOM 0 H SER A 11 -10.519 11.882 -13.434 1.00 19.43 H new ATOM 0 HA SER A 11 -9.916 9.072 -14.018 1.00 19.01 H new ATOM 0 HB2 SER A 11 -10.682 9.969 -16.332 1.00 19.28 H new ATOM 0 HB3 SER A 11 -11.885 9.835 -15.065 1.00 19.28 H new ATOM 0 HG SER A 11 -11.970 11.889 -16.144 1.00 19.89 H new ATOM 168 N SER A 12 -8.362 10.205 -16.259 1.00 17.26 N ATOM 169 CA SER A 12 -7.099 10.458 -16.941 1.00 16.34 C ATOM 170 C SER A 12 -6.688 11.918 -16.748 1.00 16.15 C ATOM 171 O SER A 12 -7.490 12.831 -16.964 1.00 16.20 O ATOM 172 CB SER A 12 -7.226 10.125 -18.430 1.00 15.87 C ATOM 173 OG SER A 12 -5.960 10.112 -19.068 1.00 15.96 O ATOM 0 H SER A 12 -9.123 9.914 -16.873 1.00 17.26 H new ATOM 0 HA SER A 12 -6.327 9.819 -16.512 1.00 16.34 H new ATOM 0 HB2 SER A 12 -7.704 9.152 -18.547 1.00 15.87 H new ATOM 0 HB3 SER A 12 -7.871 10.858 -18.914 1.00 15.87 H new ATOM 0 HG SER A 12 -6.074 9.895 -20.017 1.00 15.96 H new ATOM 179 N GLY A 13 -5.454 12.128 -16.318 1.00 16.12 N ATOM 180 CA GLY A 13 -4.980 13.465 -16.024 1.00 16.13 C ATOM 181 C GLY A 13 -4.352 13.548 -14.648 1.00 16.30 C ATOM 182 O GLY A 13 -3.883 14.602 -14.226 1.00 16.67 O ATOM 0 H GLY A 13 -4.766 11.390 -16.166 1.00 16.12 H new ATOM 0 HA2 GLY A 13 -4.250 13.766 -16.776 1.00 16.13 H new ATOM 0 HA3 GLY A 13 -5.811 14.168 -16.088 1.00 16.13 H new ATOM 186 N ARG A 14 -4.346 12.423 -13.950 1.00 16.15 N ATOM 187 CA ARG A 14 -3.766 12.337 -12.616 1.00 16.46 C ATOM 188 C ARG A 14 -2.320 11.864 -12.710 1.00 15.51 C ATOM 189 O ARG A 14 -1.488 12.176 -11.860 1.00 15.72 O ATOM 190 CB ARG A 14 -4.576 11.365 -11.748 1.00 17.13 C ATOM 191 CG ARG A 14 -4.674 9.970 -12.346 1.00 17.25 C ATOM 192 CD ARG A 14 -5.427 9.004 -11.447 1.00 17.95 C ATOM 193 NE ARG A 14 -5.531 7.684 -12.067 1.00 18.07 N ATOM 194 CZ ARG A 14 -5.578 6.533 -11.398 1.00 18.64 C ATOM 195 NH1 ARG A 14 -5.579 6.523 -10.071 1.00 19.13 N ATOM 196 NH2 ARG A 14 -5.628 5.386 -12.062 1.00 18.84 N ATOM 0 H ARG A 14 -4.741 11.546 -14.289 1.00 16.15 H new ATOM 0 HA ARG A 14 -3.791 13.325 -12.157 1.00 16.46 H new ATOM 0 HB2 ARG A 14 -4.117 11.299 -10.762 1.00 17.13 H new ATOM 0 HB3 ARG A 14 -5.580 11.764 -11.606 1.00 17.13 H new ATOM 0 HG2 ARG A 14 -5.174 10.027 -13.313 1.00 17.25 H new ATOM 0 HG3 ARG A 14 -3.671 9.585 -12.528 1.00 17.25 H new ATOM 0 HD2 ARG A 14 -4.915 8.920 -10.488 1.00 17.95 H new ATOM 0 HD3 ARG A 14 -6.424 9.394 -11.243 1.00 17.95 H new ATOM 0 HE ARG A 14 -5.570 7.641 -13.085 1.00 18.07 H new ATOM 0 HH11 ARG A 14 -5.544 7.402 -9.554 1.00 19.13 H new ATOM 0 HH12 ARG A 14 -5.615 5.637 -9.568 1.00 19.13 H new ATOM 0 HH21 ARG A 14 -5.630 5.387 -13.082 1.00 18.84 H new ATOM 0 HH22 ARG A 14 -5.664 4.503 -11.553 1.00 18.84 H new ATOM 210 N GLU A 15 -2.031 11.126 -13.772 1.00 14.57 N ATOM 211 CA GLU A 15 -0.716 10.543 -13.979 1.00 13.69 C ATOM 212 C GLU A 15 0.209 11.513 -14.708 1.00 12.97 C ATOM 213 O GLU A 15 1.262 11.123 -15.213 1.00 12.15 O ATOM 214 CB GLU A 15 -0.824 9.219 -14.754 1.00 13.29 C ATOM 215 CG GLU A 15 -1.645 9.299 -16.039 1.00 13.12 C ATOM 216 CD GLU A 15 -3.141 9.208 -15.798 1.00 13.58 C ATOM 217 OE1 GLU A 15 -3.777 10.252 -15.555 1.00 14.07 O ATOM 218 OE2 GLU A 15 -3.690 8.089 -15.842 1.00 13.59 O ATOM 0 H GLU A 15 -2.701 10.916 -14.512 1.00 14.57 H new ATOM 0 HA GLU A 15 -0.285 10.337 -12.999 1.00 13.69 H new ATOM 0 HB2 GLU A 15 0.180 8.875 -15.001 1.00 13.29 H new ATOM 0 HB3 GLU A 15 -1.267 8.467 -14.102 1.00 13.29 H new ATOM 0 HG2 GLU A 15 -1.422 10.237 -16.548 1.00 13.12 H new ATOM 0 HG3 GLU A 15 -1.341 8.493 -16.708 1.00 13.12 H new ATOM 225 N ASN A 16 -0.167 12.790 -14.724 1.00 13.44 N ATOM 226 CA ASN A 16 0.647 13.821 -15.366 1.00 13.06 C ATOM 227 C ASN A 16 1.935 14.049 -14.579 1.00 13.07 C ATOM 228 O ASN A 16 2.836 14.758 -15.027 1.00 12.89 O ATOM 229 CB ASN A 16 -0.124 15.144 -15.496 1.00 13.83 C ATOM 230 CG ASN A 16 -0.294 15.866 -14.168 1.00 14.84 C ATOM 231 OD1 ASN A 16 0.593 16.602 -13.730 1.00 15.24 O ATOM 232 ND2 ASN A 16 -1.444 15.693 -13.536 1.00 15.40 N ATOM 0 H ASN A 16 -1.028 13.136 -14.301 1.00 13.44 H new ATOM 0 HA ASN A 16 0.894 13.470 -16.368 1.00 13.06 H new ATOM 0 HB2 ASN A 16 0.401 15.797 -16.194 1.00 13.83 H new ATOM 0 HB3 ASN A 16 -1.107 14.945 -15.923 1.00 13.83 H new ATOM 0 HD21 ASN A 16 -1.620 16.177 -12.655 1.00 15.40 H new ATOM 0 HD22 ASN A 16 -2.154 15.076 -13.929 1.00 15.40 H new ATOM 239 N LEU A 17 2.007 13.445 -13.398 1.00 13.46 N ATOM 240 CA LEU A 17 3.195 13.522 -12.561 1.00 13.68 C ATOM 241 C LEU A 17 4.347 12.749 -13.197 1.00 12.77 C ATOM 242 O LEU A 17 5.516 12.985 -12.885 1.00 12.88 O ATOM 243 CB LEU A 17 2.898 12.967 -11.166 1.00 14.64 C ATOM 244 CG LEU A 17 1.766 13.671 -10.412 1.00 15.73 C ATOM 245 CD1 LEU A 17 1.527 13.005 -9.066 1.00 16.13 C ATOM 246 CD2 LEU A 17 2.086 15.147 -10.225 1.00 16.35 C ATOM 0 H LEU A 17 1.249 12.893 -12.998 1.00 13.46 H new ATOM 0 HA LEU A 17 3.485 14.569 -12.470 1.00 13.68 H new ATOM 0 HB2 LEU A 17 2.649 11.910 -11.258 1.00 14.64 H new ATOM 0 HB3 LEU A 17 3.806 13.029 -10.567 1.00 14.64 H new ATOM 0 HG LEU A 17 0.855 13.588 -11.005 1.00 15.73 H new ATOM 0 HD11 LEU A 17 0.719 13.518 -8.544 1.00 16.13 H new ATOM 0 HD12 LEU A 17 1.254 11.961 -9.220 1.00 16.13 H new ATOM 0 HD13 LEU A 17 2.437 13.057 -8.468 1.00 16.13 H new ATOM 0 HD21 LEU A 17 1.271 15.631 -9.687 1.00 16.35 H new ATOM 0 HD22 LEU A 17 3.009 15.250 -9.654 1.00 16.35 H new ATOM 0 HD23 LEU A 17 2.208 15.619 -11.200 1.00 16.35 H new ATOM 258 N TYR A 18 4.008 11.841 -14.100 1.00 12.00 N ATOM 259 CA TYR A 18 5.003 11.048 -14.804 1.00 11.22 C ATOM 260 C TYR A 18 5.155 11.561 -16.230 1.00 10.27 C ATOM 261 O TYR A 18 4.170 11.956 -16.856 1.00 9.92 O ATOM 262 CB TYR A 18 4.597 9.575 -14.818 1.00 11.19 C ATOM 263 CG TYR A 18 4.379 8.994 -13.438 1.00 12.23 C ATOM 264 CD1 TYR A 18 5.443 8.493 -12.702 1.00 12.64 C ATOM 265 CD2 TYR A 18 3.110 8.951 -12.871 1.00 12.95 C ATOM 266 CE1 TYR A 18 5.251 7.967 -11.440 1.00 13.68 C ATOM 267 CE2 TYR A 18 2.911 8.426 -11.610 1.00 13.98 C ATOM 268 CZ TYR A 18 3.984 7.935 -10.900 1.00 14.32 C ATOM 269 OH TYR A 18 3.789 7.413 -9.641 1.00 15.41 O ATOM 0 H TYR A 18 3.044 11.635 -14.363 1.00 12.00 H new ATOM 0 HA TYR A 18 5.958 11.140 -14.286 1.00 11.22 H new ATOM 0 HB2 TYR A 18 3.681 9.465 -15.398 1.00 11.19 H new ATOM 0 HB3 TYR A 18 5.369 8.999 -15.328 1.00 11.19 H new ATOM 0 HD1 TYR A 18 6.437 8.515 -13.123 1.00 12.64 H new ATOM 0 HD2 TYR A 18 2.267 9.334 -13.426 1.00 12.95 H new ATOM 0 HE1 TYR A 18 6.090 7.583 -10.879 1.00 13.68 H new ATOM 0 HE2 TYR A 18 1.919 8.400 -11.183 1.00 13.98 H new ATOM 0 HH TYR A 18 2.838 7.466 -9.408 1.00 15.41 H new ATOM 279 N PHE A 19 6.383 11.549 -16.741 1.00 10.05 N ATOM 280 CA PHE A 19 6.667 12.087 -18.075 1.00 9.38 C ATOM 281 C PHE A 19 5.864 11.359 -19.154 1.00 8.44 C ATOM 282 O PHE A 19 5.353 11.981 -20.083 1.00 7.95 O ATOM 283 CB PHE A 19 8.176 12.029 -18.388 1.00 9.94 C ATOM 284 CG PHE A 19 8.760 10.640 -18.469 1.00 10.27 C ATOM 285 CD1 PHE A 19 9.175 9.978 -17.326 1.00 10.88 C ATOM 286 CD2 PHE A 19 8.902 10.003 -19.694 1.00 10.22 C ATOM 287 CE1 PHE A 19 9.718 8.710 -17.400 1.00 11.39 C ATOM 288 CE2 PHE A 19 9.442 8.734 -19.773 1.00 10.77 C ATOM 289 CZ PHE A 19 9.851 8.087 -18.624 1.00 11.34 C ATOM 0 H PHE A 19 7.198 11.174 -16.256 1.00 10.05 H new ATOM 0 HA PHE A 19 6.359 13.132 -18.077 1.00 9.38 H new ATOM 0 HB2 PHE A 19 8.354 12.537 -19.336 1.00 9.94 H new ATOM 0 HB3 PHE A 19 8.712 12.588 -17.621 1.00 9.94 H new ATOM 0 HD1 PHE A 19 9.073 10.459 -16.364 1.00 10.88 H new ATOM 0 HD2 PHE A 19 8.586 10.506 -20.596 1.00 10.22 H new ATOM 0 HE1 PHE A 19 10.038 8.206 -16.500 1.00 11.39 H new ATOM 0 HE2 PHE A 19 9.544 8.249 -20.732 1.00 10.77 H new ATOM 0 HZ PHE A 19 10.274 7.095 -18.683 1.00 11.34 H new ATOM 299 N GLN A 20 5.725 10.047 -19.010 1.00 8.42 N ATOM 300 CA GLN A 20 4.986 9.247 -19.983 1.00 7.85 C ATOM 301 C GLN A 20 3.505 9.172 -19.627 1.00 7.07 C ATOM 302 O GLN A 20 2.743 8.432 -20.249 1.00 7.05 O ATOM 303 CB GLN A 20 5.595 7.838 -20.101 1.00 8.59 C ATOM 304 CG GLN A 20 5.868 7.129 -18.774 1.00 9.58 C ATOM 305 CD GLN A 20 4.615 6.615 -18.081 1.00 10.21 C ATOM 306 OE1 GLN A 20 4.169 5.496 -18.329 1.00 10.77 O ATOM 307 NE2 GLN A 20 4.063 7.414 -17.185 1.00 10.35 N ATOM 0 H GLN A 20 6.113 9.514 -18.232 1.00 8.42 H new ATOM 0 HA GLN A 20 5.068 9.738 -20.953 1.00 7.85 H new ATOM 0 HB2 GLN A 20 4.922 7.218 -20.693 1.00 8.59 H new ATOM 0 HB3 GLN A 20 6.531 7.910 -20.654 1.00 8.59 H new ATOM 0 HG2 GLN A 20 6.542 6.291 -18.953 1.00 9.58 H new ATOM 0 HG3 GLN A 20 6.385 7.817 -18.105 1.00 9.58 H new ATOM 0 HE21 GLN A 20 4.463 8.335 -17.008 1.00 10.35 H new ATOM 0 HE22 GLN A 20 3.237 7.109 -16.670 1.00 10.35 H new ATOM 316 N GLY A 21 3.101 9.951 -18.631 1.00 6.73 N ATOM 317 CA GLY A 21 1.724 9.924 -18.180 1.00 6.33 C ATOM 318 C GLY A 21 0.886 10.995 -18.840 1.00 5.42 C ATOM 319 O GLY A 21 -0.335 11.011 -18.705 1.00 5.50 O ATOM 0 H GLY A 21 3.704 10.602 -18.127 1.00 6.73 H new ATOM 0 HA2 GLY A 21 1.293 8.946 -18.392 1.00 6.33 H new ATOM 0 HA3 GLY A 21 1.695 10.057 -17.099 1.00 6.33 H new ATOM 323 N HIS A 22 1.544 11.896 -19.556 1.00 4.89 N ATOM 324 CA HIS A 22 0.848 12.971 -20.248 1.00 4.23 C ATOM 325 C HIS A 22 1.599 13.348 -21.521 1.00 3.24 C ATOM 326 O HIS A 22 2.726 13.834 -21.475 1.00 3.42 O ATOM 327 CB HIS A 22 0.656 14.195 -19.327 1.00 4.82 C ATOM 328 CG HIS A 22 1.922 14.898 -18.916 1.00 5.13 C ATOM 329 ND1 HIS A 22 2.049 16.271 -18.910 1.00 5.51 N ATOM 330 CD2 HIS A 22 3.113 14.415 -18.486 1.00 5.53 C ATOM 331 CE1 HIS A 22 3.259 16.599 -18.503 1.00 6.05 C ATOM 332 NE2 HIS A 22 3.923 15.491 -18.240 1.00 6.08 N ATOM 0 H HIS A 22 2.557 11.904 -19.673 1.00 4.89 H new ATOM 0 HA HIS A 22 -0.145 12.617 -20.527 1.00 4.23 H new ATOM 0 HB2 HIS A 22 0.010 14.912 -19.834 1.00 4.82 H new ATOM 0 HB3 HIS A 22 0.131 13.873 -18.428 1.00 4.82 H new ATOM 0 HD2 HIS A 22 3.375 13.375 -18.361 1.00 5.53 H new ATOM 0 HE1 HIS A 22 3.641 17.604 -18.402 1.00 6.05 H new ATOM 0 HE2 HIS A 22 4.886 15.443 -17.907 1.00 6.08 H new ATOM 341 N MET A 23 0.983 13.089 -22.659 1.00 2.70 N ATOM 342 CA MET A 23 1.593 13.403 -23.939 1.00 2.18 C ATOM 343 C MET A 23 0.611 14.164 -24.811 1.00 1.83 C ATOM 344 O MET A 23 -0.594 13.925 -24.754 1.00 2.36 O ATOM 345 CB MET A 23 2.056 12.128 -24.652 1.00 2.61 C ATOM 346 CG MET A 23 3.222 11.429 -23.962 1.00 2.99 C ATOM 347 SD MET A 23 3.758 9.932 -24.817 1.00 3.68 S ATOM 348 CE MET A 23 2.318 8.887 -24.610 1.00 4.41 C ATOM 0 H MET A 23 0.059 12.661 -22.724 1.00 2.70 H new ATOM 0 HA MET A 23 2.467 14.028 -23.758 1.00 2.18 H new ATOM 0 HB2 MET A 23 1.217 11.435 -24.720 1.00 2.61 H new ATOM 0 HB3 MET A 23 2.346 12.378 -25.673 1.00 2.61 H new ATOM 0 HG2 MET A 23 4.062 12.120 -23.892 1.00 2.99 H new ATOM 0 HG3 MET A 23 2.933 11.174 -22.942 1.00 2.99 H new ATOM 0 HE1 MET A 23 2.590 7.850 -24.807 1.00 4.41 H new ATOM 0 HE2 MET A 23 1.947 8.977 -23.589 1.00 4.41 H new ATOM 0 HE3 MET A 23 1.540 9.197 -25.308 1.00 4.41 H new ATOM 358 N CYS A 24 1.132 15.087 -25.603 1.00 1.24 N ATOM 359 CA CYS A 24 0.308 15.895 -26.486 1.00 0.95 C ATOM 360 C CYS A 24 -0.336 15.030 -27.566 1.00 0.84 C ATOM 361 O CYS A 24 0.263 14.057 -28.029 1.00 0.77 O ATOM 362 CB CYS A 24 1.160 16.992 -27.126 1.00 0.99 C ATOM 363 SG CYS A 24 2.139 17.941 -25.939 1.00 1.71 S ATOM 0 H CYS A 24 2.129 15.296 -25.652 1.00 1.24 H new ATOM 0 HA CYS A 24 -0.487 16.354 -25.899 1.00 0.95 H new ATOM 0 HB2 CYS A 24 1.831 16.539 -27.856 1.00 0.99 H new ATOM 0 HB3 CYS A 24 0.508 17.673 -27.672 1.00 0.99 H new ATOM 0 HG CYS A 24 2.829 18.844 -26.570 1.00 1.71 H new ATOM 369 N ILE A 25 -1.550 15.395 -27.964 1.00 0.89 N ATOM 370 CA ILE A 25 -2.292 14.655 -28.984 1.00 0.88 C ATOM 371 C ILE A 25 -1.491 14.569 -30.290 1.00 0.74 C ATOM 372 O ILE A 25 -1.533 13.565 -30.997 1.00 0.71 O ATOM 373 CB ILE A 25 -3.677 15.306 -29.242 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.511 14.460 -30.210 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.527 16.727 -29.769 1.00 1.09 C ATOM 376 CD1 ILE A 25 -4.937 13.128 -29.632 1.00 1.37 C ATOM 0 H ILE A 25 -2.046 16.205 -27.593 1.00 0.89 H new ATOM 0 HA ILE A 25 -2.451 13.643 -28.612 1.00 0.88 H new ATOM 0 HB ILE A 25 -4.202 15.351 -28.288 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -5.399 15.022 -30.500 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.934 14.286 -31.118 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.514 17.158 -29.940 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -2.989 17.331 -29.038 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -2.970 16.711 -30.706 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -5.524 12.582 -30.371 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -4.054 12.547 -29.368 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -5.541 13.295 -28.740 1.00 1.37 H new ATOM 388 N GLN A 26 -0.732 15.619 -30.580 1.00 0.69 N ATOM 389 CA GLN A 26 0.103 15.659 -31.772 1.00 0.64 C ATOM 390 C GLN A 26 1.211 14.608 -31.698 1.00 0.56 C ATOM 391 O GLN A 26 1.532 13.959 -32.690 1.00 0.59 O ATOM 392 CB GLN A 26 0.715 17.053 -31.927 1.00 0.70 C ATOM 393 CG GLN A 26 1.622 17.195 -33.136 1.00 0.80 C ATOM 394 CD GLN A 26 2.273 18.562 -33.216 1.00 1.23 C ATOM 395 OE1 GLN A 26 2.531 19.204 -32.198 1.00 1.75 O ATOM 396 NE2 GLN A 26 2.547 19.012 -34.428 1.00 1.54 N ATOM 0 H GLN A 26 -0.678 16.458 -30.002 1.00 0.69 H new ATOM 0 HA GLN A 26 -0.520 15.437 -32.638 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -0.089 17.786 -32.000 1.00 0.70 H new ATOM 0 HB3 GLN A 26 1.284 17.292 -31.028 1.00 0.70 H new ATOM 0 HG2 GLN A 26 2.397 16.429 -33.097 1.00 0.80 H new ATOM 0 HG3 GLN A 26 1.044 17.018 -34.043 1.00 0.80 H new ATOM 0 HE21 GLN A 26 2.316 18.448 -35.246 1.00 1.54 H new ATOM 0 HE22 GLN A 26 2.989 19.924 -34.546 1.00 1.54 H new ATOM 405 N LYS A 27 1.772 14.433 -30.506 1.00 0.56 N ATOM 406 CA LYS A 27 2.900 13.534 -30.314 1.00 0.60 C ATOM 407 C LYS A 27 2.484 12.079 -30.504 1.00 0.58 C ATOM 408 O LYS A 27 3.163 11.324 -31.198 1.00 0.58 O ATOM 409 CB LYS A 27 3.513 13.733 -28.920 1.00 0.75 C ATOM 410 CG LYS A 27 4.636 12.754 -28.565 1.00 1.27 C ATOM 411 CD LYS A 27 5.950 13.053 -29.291 1.00 1.53 C ATOM 412 CE LYS A 27 5.876 12.743 -30.778 1.00 1.93 C ATOM 413 NZ LYS A 27 7.206 12.806 -31.434 1.00 2.50 N ATOM 0 H LYS A 27 1.461 14.905 -29.657 1.00 0.56 H new ATOM 0 HA LYS A 27 3.651 13.773 -31.067 1.00 0.60 H new ATOM 0 HB2 LYS A 27 3.901 14.749 -28.851 1.00 0.75 H new ATOM 0 HB3 LYS A 27 2.723 13.643 -28.175 1.00 0.75 H new ATOM 0 HG2 LYS A 27 4.808 12.784 -27.489 1.00 1.27 H new ATOM 0 HG3 LYS A 27 4.316 11.741 -28.809 1.00 1.27 H new ATOM 0 HD2 LYS A 27 6.206 14.104 -29.154 1.00 1.53 H new ATOM 0 HD3 LYS A 27 6.752 12.468 -28.840 1.00 1.53 H new ATOM 0 HE2 LYS A 27 5.451 11.749 -30.919 1.00 1.93 H new ATOM 0 HE3 LYS A 27 5.201 13.450 -31.261 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 7.107 12.571 -32.442 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 7.595 13.766 -31.339 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 7.849 12.125 -30.981 1.00 2.50 H new ATOM 427 N VAL A 28 1.371 11.690 -29.896 1.00 0.62 N ATOM 428 CA VAL A 28 0.923 10.307 -29.973 1.00 0.68 C ATOM 429 C VAL A 28 0.555 9.924 -31.410 1.00 0.62 C ATOM 430 O VAL A 28 0.992 8.883 -31.899 1.00 0.62 O ATOM 431 CB VAL A 28 -0.249 10.018 -28.997 1.00 0.77 C ATOM 432 CG1 VAL A 28 -1.404 10.982 -29.201 1.00 1.03 C ATOM 433 CG2 VAL A 28 -0.725 8.578 -29.133 1.00 1.04 C ATOM 0 H VAL A 28 0.768 12.305 -29.350 1.00 0.62 H new ATOM 0 HA VAL A 28 1.760 9.682 -29.661 1.00 0.68 H new ATOM 0 HB VAL A 28 0.129 10.166 -27.985 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -2.203 10.746 -28.499 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -1.061 12.002 -29.030 1.00 1.03 H new ATOM 0 HG13 VAL A 28 -1.778 10.891 -30.221 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -1.546 8.399 -28.439 1.00 1.04 H new ATOM 0 HG22 VAL A 28 -1.067 8.403 -30.153 1.00 1.04 H new ATOM 0 HG23 VAL A 28 0.097 7.900 -28.904 1.00 1.04 H new ATOM 443 N ILE A 29 -0.200 10.785 -32.093 1.00 0.60 N ATOM 444 CA ILE A 29 -0.586 10.534 -33.486 1.00 0.57 C ATOM 445 C ILE A 29 0.653 10.427 -34.381 1.00 0.52 C ATOM 446 O ILE A 29 0.790 9.488 -35.166 1.00 0.51 O ATOM 447 CB ILE A 29 -1.544 11.640 -34.022 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.006 11.322 -33.671 1.00 0.75 C ATOM 449 CG2 ILE A 29 -1.404 11.813 -35.532 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.291 11.213 -32.191 1.00 0.79 C ATOM 0 H ILE A 29 -0.556 11.660 -31.708 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.121 9.585 -33.511 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.259 12.574 -33.537 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -3.644 12.098 -34.094 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.285 10.384 -34.151 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -2.086 12.592 -35.874 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -0.379 12.097 -35.772 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -1.647 10.874 -36.030 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.346 10.987 -32.039 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.684 10.416 -31.761 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -3.049 12.157 -31.703 1.00 0.79 H new ATOM 462 N GLU A 30 1.570 11.379 -34.235 1.00 0.53 N ATOM 463 CA GLU A 30 2.780 11.402 -35.048 1.00 0.55 C ATOM 464 C GLU A 30 3.591 10.126 -34.847 1.00 0.55 C ATOM 465 O GLU A 30 4.089 9.535 -35.807 1.00 0.58 O ATOM 466 CB GLU A 30 3.621 12.640 -34.705 1.00 0.64 C ATOM 467 CG GLU A 30 4.916 12.768 -35.502 1.00 0.99 C ATOM 468 CD GLU A 30 6.134 12.280 -34.736 1.00 1.49 C ATOM 469 OE1 GLU A 30 6.737 13.090 -34.000 1.00 2.20 O ATOM 470 OE2 GLU A 30 6.498 11.094 -34.869 1.00 1.84 O ATOM 0 H GLU A 30 1.498 12.143 -33.563 1.00 0.53 H new ATOM 0 HA GLU A 30 2.493 11.455 -36.098 1.00 0.55 H new ATOM 0 HB2 GLU A 30 3.017 13.532 -34.873 1.00 0.64 H new ATOM 0 HB3 GLU A 30 3.864 12.615 -33.643 1.00 0.64 H new ATOM 0 HG2 GLU A 30 4.824 12.200 -36.428 1.00 0.99 H new ATOM 0 HG3 GLU A 30 5.063 13.811 -35.781 1.00 0.99 H new ATOM 477 N ASP A 31 3.691 9.688 -33.602 1.00 0.57 N ATOM 478 CA ASP A 31 4.514 8.538 -33.264 1.00 0.64 C ATOM 479 C ASP A 31 3.936 7.250 -33.842 1.00 0.57 C ATOM 480 O ASP A 31 4.682 6.363 -34.270 1.00 0.61 O ATOM 481 CB ASP A 31 4.662 8.415 -31.746 1.00 0.80 C ATOM 482 CG ASP A 31 5.715 7.401 -31.356 1.00 1.05 C ATOM 483 OD1 ASP A 31 6.917 7.747 -31.402 1.00 1.17 O ATOM 484 OD2 ASP A 31 5.353 6.259 -31.004 1.00 1.67 O ATOM 0 H ASP A 31 3.212 10.112 -32.808 1.00 0.57 H new ATOM 0 HA ASP A 31 5.498 8.693 -33.706 1.00 0.64 H new ATOM 0 HB2 ASP A 31 4.923 9.387 -31.328 1.00 0.80 H new ATOM 0 HB3 ASP A 31 3.705 8.128 -31.311 1.00 0.80 H new ATOM 489 N LYS A 32 2.609 7.159 -33.877 1.00 0.53 N ATOM 490 CA LYS A 32 1.938 5.964 -34.382 1.00 0.55 C ATOM 491 C LYS A 32 2.216 5.766 -35.869 1.00 0.48 C ATOM 492 O LYS A 32 2.724 4.721 -36.286 1.00 0.52 O ATOM 493 CB LYS A 32 0.424 6.065 -34.172 1.00 0.67 C ATOM 494 CG LYS A 32 -0.012 6.152 -32.719 1.00 0.97 C ATOM 495 CD LYS A 32 0.166 4.832 -31.990 1.00 1.09 C ATOM 496 CE LYS A 32 -0.383 4.909 -30.574 1.00 1.51 C ATOM 497 NZ LYS A 32 -0.318 3.598 -29.882 1.00 2.03 N ATOM 0 H LYS A 32 1.978 7.896 -33.563 1.00 0.53 H new ATOM 0 HA LYS A 32 2.330 5.112 -33.826 1.00 0.55 H new ATOM 0 HB2 LYS A 32 0.056 6.944 -34.701 1.00 0.67 H new ATOM 0 HB3 LYS A 32 -0.051 5.196 -34.628 1.00 0.67 H new ATOM 0 HG2 LYS A 32 0.565 6.926 -32.213 1.00 0.97 H new ATOM 0 HG3 LYS A 32 -1.058 6.453 -32.672 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -0.343 4.039 -32.538 1.00 1.09 H new ATOM 0 HD3 LYS A 32 1.224 4.570 -31.959 1.00 1.09 H new ATOM 0 HE2 LYS A 32 0.182 5.648 -30.006 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -1.417 5.253 -30.604 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -0.702 3.694 -28.920 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -0.878 2.899 -30.410 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 0.671 3.282 -29.830 1.00 2.03 H new ATOM 511 N LEU A 33 1.908 6.785 -36.662 1.00 0.44 N ATOM 512 CA LEU A 33 2.020 6.679 -38.111 1.00 0.44 C ATOM 513 C LEU A 33 3.476 6.656 -38.576 1.00 0.46 C ATOM 514 O LEU A 33 3.792 6.049 -39.600 1.00 0.51 O ATOM 515 CB LEU A 33 1.223 7.801 -38.800 1.00 0.47 C ATOM 516 CG LEU A 33 1.465 9.226 -38.287 1.00 0.48 C ATOM 517 CD1 LEU A 33 2.727 9.824 -38.888 1.00 0.57 C ATOM 518 CD2 LEU A 33 0.261 10.105 -38.589 1.00 0.55 C ATOM 0 H LEU A 33 1.580 7.691 -36.328 1.00 0.44 H new ATOM 0 HA LEU A 33 1.586 5.724 -38.406 1.00 0.44 H new ATOM 0 HB2 LEU A 33 1.453 7.778 -39.865 1.00 0.47 H new ATOM 0 HB3 LEU A 33 0.161 7.577 -38.698 1.00 0.47 H new ATOM 0 HG LEU A 33 1.604 9.177 -37.207 1.00 0.48 H new ATOM 0 HD11 LEU A 33 2.870 10.834 -38.504 1.00 0.57 H new ATOM 0 HD12 LEU A 33 3.585 9.209 -38.618 1.00 0.57 H new ATOM 0 HD13 LEU A 33 2.632 9.858 -39.973 1.00 0.57 H new ATOM 0 HD21 LEU A 33 0.445 11.114 -38.220 1.00 0.55 H new ATOM 0 HD22 LEU A 33 0.095 10.137 -39.666 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -0.621 9.695 -38.098 1.00 0.55 H new ATOM 530 N SER A 34 4.367 7.290 -37.823 1.00 0.47 N ATOM 531 CA SER A 34 5.778 7.311 -38.186 1.00 0.53 C ATOM 532 C SER A 34 6.404 5.926 -38.028 1.00 0.54 C ATOM 533 O SER A 34 7.155 5.473 -38.890 1.00 0.59 O ATOM 534 CB SER A 34 6.542 8.336 -37.352 1.00 0.60 C ATOM 535 OG SER A 34 6.054 9.646 -37.588 1.00 1.29 O ATOM 0 H SER A 34 4.140 7.792 -36.965 1.00 0.47 H new ATOM 0 HA SER A 34 5.846 7.602 -39.234 1.00 0.53 H new ATOM 0 HB2 SER A 34 6.447 8.093 -36.294 1.00 0.60 H new ATOM 0 HB3 SER A 34 7.604 8.290 -37.595 1.00 0.60 H new ATOM 0 HG SER A 34 5.360 9.860 -36.930 1.00 1.29 H new ATOM 541 N SER A 35 6.074 5.256 -36.933 1.00 0.55 N ATOM 542 CA SER A 35 6.626 3.941 -36.649 1.00 0.62 C ATOM 543 C SER A 35 6.046 2.885 -37.593 1.00 0.59 C ATOM 544 O SER A 35 6.687 1.873 -37.888 1.00 0.65 O ATOM 545 CB SER A 35 6.349 3.567 -35.192 1.00 0.72 C ATOM 546 OG SER A 35 6.754 4.610 -34.316 1.00 0.78 O ATOM 0 H SER A 35 5.426 5.603 -36.226 1.00 0.55 H new ATOM 0 HA SER A 35 7.703 3.976 -36.810 1.00 0.62 H new ATOM 0 HB2 SER A 35 5.286 3.367 -35.059 1.00 0.72 H new ATOM 0 HB3 SER A 35 6.880 2.649 -34.941 1.00 0.72 H new ATOM 0 HG SER A 35 6.079 5.320 -34.319 1.00 0.78 H new ATOM 552 N ALA A 36 4.830 3.127 -38.074 1.00 0.54 N ATOM 553 CA ALA A 36 4.151 2.182 -38.948 1.00 0.57 C ATOM 554 C ALA A 36 4.502 2.407 -40.419 1.00 0.51 C ATOM 555 O ALA A 36 4.956 1.489 -41.104 1.00 0.52 O ATOM 556 CB ALA A 36 2.646 2.268 -38.746 1.00 0.64 C ATOM 0 H ALA A 36 4.296 3.972 -37.871 1.00 0.54 H new ATOM 0 HA ALA A 36 4.495 1.183 -38.680 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.149 1.556 -39.405 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.404 2.033 -37.710 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.305 3.277 -38.978 1.00 0.64 H new ATOM 562 N LEU A 37 4.298 3.627 -40.900 1.00 0.50 N ATOM 563 CA LEU A 37 4.457 3.923 -42.322 1.00 0.53 C ATOM 564 C LEU A 37 5.917 4.157 -42.693 1.00 0.52 C ATOM 565 O LEU A 37 6.334 3.821 -43.803 1.00 0.62 O ATOM 566 CB LEU A 37 3.623 5.151 -42.704 1.00 0.57 C ATOM 567 CG LEU A 37 2.113 5.009 -42.484 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.398 6.299 -42.847 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.563 3.846 -43.299 1.00 0.94 C ATOM 0 H LEU A 37 4.023 4.427 -40.330 1.00 0.50 H new ATOM 0 HA LEU A 37 4.105 3.054 -42.877 1.00 0.53 H new ATOM 0 HB2 LEU A 37 3.979 6.005 -42.128 1.00 0.57 H new ATOM 0 HB3 LEU A 37 3.801 5.378 -43.755 1.00 0.57 H new ATOM 0 HG LEU A 37 1.936 4.804 -41.428 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.327 6.179 -42.684 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.772 7.110 -42.222 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.582 6.534 -43.895 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.490 3.759 -43.131 1.00 0.94 H new ATOM 0 HD22 LEU A 37 1.751 4.023 -44.358 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.054 2.922 -42.992 1.00 0.94 H new ATOM 581 N LYS A 38 6.684 4.707 -41.753 1.00 0.47 N ATOM 582 CA LYS A 38 8.087 5.075 -41.980 1.00 0.52 C ATOM 583 C LYS A 38 8.199 6.194 -43.016 1.00 0.47 C ATOM 584 O LYS A 38 8.551 5.950 -44.173 1.00 0.54 O ATOM 585 CB LYS A 38 8.924 3.871 -42.439 1.00 0.70 C ATOM 586 CG LYS A 38 8.823 2.655 -41.534 1.00 1.32 C ATOM 587 CD LYS A 38 9.583 1.468 -42.111 1.00 1.93 C ATOM 588 CE LYS A 38 9.106 1.118 -43.517 1.00 2.67 C ATOM 589 NZ LYS A 38 7.635 0.895 -43.569 1.00 3.36 N ATOM 0 H LYS A 38 6.353 4.912 -40.810 1.00 0.47 H new ATOM 0 HA LYS A 38 8.479 5.426 -41.026 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.611 3.588 -43.444 1.00 0.70 H new ATOM 0 HB3 LYS A 38 9.969 4.174 -42.505 1.00 0.70 H new ATOM 0 HG2 LYS A 38 9.220 2.899 -40.549 1.00 1.32 H new ATOM 0 HG3 LYS A 38 7.775 2.387 -41.398 1.00 1.32 H new ATOM 0 HD2 LYS A 38 10.649 1.696 -42.135 1.00 1.93 H new ATOM 0 HD3 LYS A 38 9.457 0.604 -41.459 1.00 1.93 H new ATOM 0 HE2 LYS A 38 9.375 1.923 -44.202 1.00 2.67 H new ATOM 0 HE3 LYS A 38 9.621 0.221 -43.861 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 7.401 0.317 -44.401 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 7.328 0.402 -42.707 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 7.147 1.811 -43.636 1.00 3.36 H new ATOM 603 N PRO A 39 7.866 7.433 -42.636 1.00 0.46 N ATOM 604 CA PRO A 39 8.000 8.576 -43.518 1.00 0.47 C ATOM 605 C PRO A 39 9.379 9.223 -43.425 1.00 0.51 C ATOM 606 O PRO A 39 9.906 9.435 -42.332 1.00 0.63 O ATOM 607 CB PRO A 39 6.918 9.525 -43.010 1.00 0.50 C ATOM 608 CG PRO A 39 6.743 9.199 -41.560 1.00 0.54 C ATOM 609 CD PRO A 39 7.320 7.820 -41.325 1.00 0.52 C ATOM 0 HA PRO A 39 7.893 8.306 -44.569 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.215 10.565 -43.145 1.00 0.50 H new ATOM 0 HB3 PRO A 39 5.986 9.386 -43.558 1.00 0.50 H new ATOM 0 HG2 PRO A 39 7.250 9.937 -40.938 1.00 0.54 H new ATOM 0 HG3 PRO A 39 5.688 9.224 -41.287 1.00 0.54 H new ATOM 0 HD2 PRO A 39 8.095 7.837 -40.559 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.555 7.120 -40.989 1.00 0.52 H new ATOM 617 N THR A 40 9.960 9.532 -44.577 1.00 0.52 N ATOM 618 CA THR A 40 11.234 10.230 -44.628 1.00 0.61 C ATOM 619 C THR A 40 11.053 11.666 -44.137 1.00 0.62 C ATOM 620 O THR A 40 11.964 12.266 -43.567 1.00 0.73 O ATOM 621 CB THR A 40 11.812 10.225 -46.063 1.00 0.67 C ATOM 622 OG1 THR A 40 10.826 10.689 -46.996 1.00 0.70 O ATOM 623 CG2 THR A 40 12.270 8.827 -46.464 1.00 0.71 C ATOM 0 H THR A 40 9.566 9.308 -45.491 1.00 0.52 H new ATOM 0 HA THR A 40 11.940 9.712 -43.979 1.00 0.61 H new ATOM 0 HB THR A 40 12.673 10.893 -46.079 1.00 0.67 H new ATOM 0 HG1 THR A 40 9.960 10.770 -46.544 1.00 0.70 H new ATOM 0 HG21 THR A 40 12.672 8.852 -47.477 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.043 8.486 -45.775 1.00 0.71 H new ATOM 0 HG23 THR A 40 11.423 8.142 -46.427 1.00 0.71 H new ATOM 631 N PHE A 41 9.859 12.199 -44.368 1.00 0.54 N ATOM 632 CA PHE A 41 9.485 13.513 -43.872 1.00 0.55 C ATOM 633 C PHE A 41 8.027 13.488 -43.433 1.00 0.48 C ATOM 634 O PHE A 41 7.173 12.953 -44.141 1.00 0.45 O ATOM 635 CB PHE A 41 9.708 14.580 -44.949 1.00 0.57 C ATOM 636 CG PHE A 41 9.399 15.977 -44.488 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.277 16.655 -43.656 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.235 16.612 -44.888 1.00 0.62 C ATOM 639 CE1 PHE A 41 9.997 17.940 -43.232 1.00 0.76 C ATOM 640 CE2 PHE A 41 7.951 17.897 -44.466 1.00 0.70 C ATOM 641 CZ PHE A 41 8.832 18.562 -43.637 1.00 0.75 C ATOM 0 H PHE A 41 9.127 11.732 -44.903 1.00 0.54 H new ATOM 0 HA PHE A 41 10.112 13.767 -43.017 1.00 0.55 H new ATOM 0 HB2 PHE A 41 10.745 14.537 -45.281 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.087 14.346 -45.814 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.189 16.174 -43.336 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.542 16.097 -45.537 1.00 0.62 H new ATOM 0 HE1 PHE A 41 10.689 18.458 -42.584 1.00 0.76 H new ATOM 0 HE2 PHE A 41 7.040 18.381 -44.785 1.00 0.70 H new ATOM 0 HZ PHE A 41 8.611 19.566 -43.306 1.00 0.75 H new ATOM 651 N LEU A 42 7.747 14.047 -42.266 1.00 0.50 N ATOM 652 CA LEU A 42 6.392 14.057 -41.732 1.00 0.48 C ATOM 653 C LEU A 42 6.130 15.386 -41.029 1.00 0.54 C ATOM 654 O LEU A 42 6.896 15.798 -40.159 1.00 0.64 O ATOM 655 CB LEU A 42 6.211 12.878 -40.759 1.00 0.53 C ATOM 656 CG LEU A 42 4.766 12.416 -40.498 1.00 0.60 C ATOM 657 CD1 LEU A 42 3.983 13.447 -39.700 1.00 1.03 C ATOM 658 CD2 LEU A 42 4.060 12.110 -41.809 1.00 1.55 C ATOM 0 H LEU A 42 8.439 14.500 -41.670 1.00 0.50 H new ATOM 0 HA LEU A 42 5.674 13.947 -42.545 1.00 0.48 H new ATOM 0 HB2 LEU A 42 6.776 12.029 -41.144 1.00 0.53 H new ATOM 0 HB3 LEU A 42 6.659 13.153 -39.804 1.00 0.53 H new ATOM 0 HG LEU A 42 4.814 11.504 -39.903 1.00 0.60 H new ATOM 0 HD11 LEU A 42 2.968 13.086 -39.536 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.470 13.610 -38.739 1.00 1.03 H new ATOM 0 HD13 LEU A 42 3.949 14.386 -40.253 1.00 1.03 H new ATOM 0 HD21 LEU A 42 3.040 11.785 -41.606 1.00 1.55 H new ATOM 0 HD22 LEU A 42 4.038 13.007 -42.429 1.00 1.55 H new ATOM 0 HD23 LEU A 42 4.595 11.319 -42.334 1.00 1.55 H new ATOM 670 N GLU A 43 5.059 16.061 -41.421 1.00 0.57 N ATOM 671 CA GLU A 43 4.696 17.327 -40.802 1.00 0.69 C ATOM 672 C GLU A 43 3.193 17.402 -40.556 1.00 0.60 C ATOM 673 O GLU A 43 2.392 17.164 -41.460 1.00 0.53 O ATOM 674 CB GLU A 43 5.148 18.501 -41.674 1.00 0.82 C ATOM 675 CG GLU A 43 4.742 19.859 -41.125 1.00 1.00 C ATOM 676 CD GLU A 43 5.320 21.007 -41.922 1.00 1.62 C ATOM 677 OE1 GLU A 43 5.050 21.092 -43.136 1.00 2.19 O ATOM 678 OE2 GLU A 43 6.059 21.828 -41.340 1.00 2.23 O ATOM 0 H GLU A 43 4.429 15.755 -42.162 1.00 0.57 H new ATOM 0 HA GLU A 43 5.205 17.389 -39.840 1.00 0.69 H new ATOM 0 HB2 GLU A 43 6.233 18.470 -41.777 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.729 18.383 -42.673 1.00 0.82 H new ATOM 0 HG2 GLU A 43 3.655 19.935 -41.122 1.00 1.00 H new ATOM 0 HG3 GLU A 43 5.070 19.940 -40.089 1.00 1.00 H new ATOM 685 N LEU A 44 2.819 17.715 -39.322 1.00 0.67 N ATOM 686 CA LEU A 44 1.415 17.877 -38.967 1.00 0.65 C ATOM 687 C LEU A 44 1.010 19.332 -39.160 1.00 0.64 C ATOM 688 O LEU A 44 1.522 20.220 -38.476 1.00 0.77 O ATOM 689 CB LEU A 44 1.152 17.471 -37.504 1.00 0.82 C ATOM 690 CG LEU A 44 1.451 16.014 -37.118 1.00 0.97 C ATOM 691 CD1 LEU A 44 0.841 15.048 -38.118 1.00 1.27 C ATOM 692 CD2 LEU A 44 2.948 15.777 -36.977 1.00 1.72 C ATOM 0 H LEU A 44 3.469 17.862 -38.550 1.00 0.67 H new ATOM 0 HA LEU A 44 0.826 17.227 -39.614 1.00 0.65 H new ATOM 0 HB2 LEU A 44 1.746 18.120 -36.861 1.00 0.82 H new ATOM 0 HB3 LEU A 44 0.104 17.672 -37.280 1.00 0.82 H new ATOM 0 HG LEU A 44 0.991 15.828 -36.147 1.00 0.97 H new ATOM 0 HD11 LEU A 44 1.068 14.024 -37.820 1.00 1.27 H new ATOM 0 HD12 LEU A 44 -0.240 15.187 -38.145 1.00 1.27 H new ATOM 0 HD13 LEU A 44 1.256 15.239 -39.108 1.00 1.27 H new ATOM 0 HD21 LEU A 44 3.128 14.737 -36.703 1.00 1.72 H new ATOM 0 HD22 LEU A 44 3.441 15.993 -37.925 1.00 1.72 H new ATOM 0 HD23 LEU A 44 3.348 16.431 -36.202 1.00 1.72 H new ATOM 704 N VAL A 45 0.098 19.577 -40.084 1.00 0.57 N ATOM 705 CA VAL A 45 -0.345 20.931 -40.372 1.00 0.63 C ATOM 706 C VAL A 45 -1.772 21.150 -39.878 1.00 0.60 C ATOM 707 O VAL A 45 -2.703 20.469 -40.311 1.00 0.56 O ATOM 708 CB VAL A 45 -0.278 21.237 -41.885 1.00 0.73 C ATOM 709 CG1 VAL A 45 -0.692 22.675 -42.167 1.00 1.08 C ATOM 710 CG2 VAL A 45 1.115 20.964 -42.430 1.00 0.90 C ATOM 0 H VAL A 45 -0.351 18.856 -40.649 1.00 0.57 H new ATOM 0 HA VAL A 45 0.329 21.608 -39.847 1.00 0.63 H new ATOM 0 HB VAL A 45 -0.979 20.575 -42.393 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -0.637 22.866 -43.239 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -1.714 22.834 -41.822 1.00 1.08 H new ATOM 0 HG13 VAL A 45 -0.022 23.356 -41.642 1.00 1.08 H new ATOM 0 HG21 VAL A 45 1.138 21.186 -43.497 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.838 21.594 -41.912 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.368 19.916 -42.272 1.00 0.90 H new ATOM 720 N ASP A 46 -1.929 22.082 -38.951 1.00 0.76 N ATOM 721 CA ASP A 46 -3.253 22.480 -38.489 1.00 0.83 C ATOM 722 C ASP A 46 -3.746 23.642 -39.334 1.00 0.80 C ATOM 723 O ASP A 46 -3.064 24.665 -39.451 1.00 0.99 O ATOM 724 CB ASP A 46 -3.221 22.886 -37.009 1.00 1.16 C ATOM 725 CG ASP A 46 -4.574 23.365 -36.502 1.00 1.38 C ATOM 726 OD1 ASP A 46 -4.910 24.553 -36.713 1.00 1.83 O ATOM 727 OD2 ASP A 46 -5.304 22.559 -35.883 1.00 1.57 O ATOM 0 H ASP A 46 -1.158 22.577 -38.503 1.00 0.76 H new ATOM 0 HA ASP A 46 -3.931 21.632 -38.591 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -2.893 22.036 -36.410 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -2.484 23.677 -36.869 1.00 1.16 H new ATOM 732 N LYS A 47 -4.905 23.477 -39.949 1.00 0.81 N ATOM 733 CA LYS A 47 -5.461 24.524 -40.784 1.00 1.03 C ATOM 734 C LYS A 47 -6.954 24.694 -40.520 1.00 1.12 C ATOM 735 O LYS A 47 -7.785 24.029 -41.143 1.00 1.66 O ATOM 736 CB LYS A 47 -5.211 24.222 -42.263 1.00 1.36 C ATOM 737 CG LYS A 47 -5.619 25.353 -43.188 1.00 1.85 C ATOM 738 CD LYS A 47 -5.326 25.024 -44.640 1.00 2.14 C ATOM 739 CE LYS A 47 -5.662 26.196 -45.546 1.00 2.34 C ATOM 740 NZ LYS A 47 -4.847 27.398 -45.224 1.00 2.76 N ATOM 0 H LYS A 47 -5.475 22.633 -39.886 1.00 0.81 H new ATOM 0 HA LYS A 47 -4.961 25.459 -40.532 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -4.152 24.008 -42.408 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -5.759 23.321 -42.540 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -6.683 25.555 -43.068 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -5.088 26.263 -42.907 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -4.273 24.764 -44.752 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -5.904 24.150 -44.942 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -5.494 25.911 -46.585 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -6.720 26.438 -45.449 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -4.873 28.060 -46.026 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -5.234 27.863 -44.378 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -3.864 27.112 -45.042 1.00 2.76 H new ATOM 754 N SER A 48 -7.270 25.559 -39.560 1.00 1.40 N ATOM 755 CA SER A 48 -8.648 25.931 -39.252 1.00 1.68 C ATOM 756 C SER A 48 -9.525 24.711 -38.967 1.00 1.52 C ATOM 757 O SER A 48 -10.491 24.439 -39.687 1.00 1.97 O ATOM 758 CB SER A 48 -9.233 26.762 -40.398 1.00 2.50 C ATOM 759 OG SER A 48 -8.444 27.919 -40.634 1.00 3.20 O ATOM 0 H SER A 48 -6.577 26.023 -38.973 1.00 1.40 H new ATOM 0 HA SER A 48 -8.634 26.531 -38.342 1.00 1.68 H new ATOM 0 HB2 SER A 48 -9.281 26.158 -41.304 1.00 2.50 H new ATOM 0 HB3 SER A 48 -10.254 27.056 -40.156 1.00 2.50 H new ATOM 0 HG SER A 48 -8.833 28.436 -41.370 1.00 3.20 H new ATOM 765 N CYS A 49 -9.182 23.978 -37.918 1.00 2.02 N ATOM 766 CA CYS A 49 -9.975 22.837 -37.497 1.00 2.76 C ATOM 767 C CYS A 49 -11.240 23.316 -36.789 1.00 2.78 C ATOM 768 O CYS A 49 -11.181 23.886 -35.699 1.00 3.32 O ATOM 769 CB CYS A 49 -9.145 21.927 -36.589 1.00 3.84 C ATOM 770 SG CYS A 49 -8.190 22.807 -35.333 1.00 4.74 S ATOM 0 H CYS A 49 -8.358 24.155 -37.343 1.00 2.02 H new ATOM 0 HA CYS A 49 -10.272 22.260 -38.373 1.00 2.76 H new ATOM 0 HB2 CYS A 49 -9.811 21.221 -36.094 1.00 3.84 H new ATOM 0 HB3 CYS A 49 -8.462 21.342 -37.205 1.00 3.84 H new ATOM 0 HG CYS A 49 -6.942 22.450 -35.408 1.00 4.74 H new ATOM 776 N GLY A 50 -12.380 23.104 -37.431 1.00 2.67 N ATOM 777 CA GLY A 50 -13.633 23.612 -36.912 1.00 2.93 C ATOM 778 C GLY A 50 -14.193 22.775 -35.780 1.00 2.80 C ATOM 779 O GLY A 50 -14.627 23.310 -34.762 1.00 3.16 O ATOM 0 H GLY A 50 -12.459 22.587 -38.306 1.00 2.67 H new ATOM 0 HA2 GLY A 50 -13.486 24.634 -36.562 1.00 2.93 H new ATOM 0 HA3 GLY A 50 -14.363 23.654 -37.720 1.00 2.93 H new ATOM 783 N CYS A 51 -14.195 21.462 -35.955 1.00 2.72 N ATOM 784 CA CYS A 51 -14.781 20.570 -34.964 1.00 2.86 C ATOM 785 C CYS A 51 -13.707 19.795 -34.209 1.00 2.48 C ATOM 786 O CYS A 51 -13.143 18.831 -34.728 1.00 3.01 O ATOM 787 CB CYS A 51 -15.745 19.600 -35.644 1.00 3.50 C ATOM 788 SG CYS A 51 -16.993 20.411 -36.667 1.00 4.36 S ATOM 0 H CYS A 51 -13.800 20.992 -36.769 1.00 2.72 H new ATOM 0 HA CYS A 51 -15.326 21.178 -34.242 1.00 2.86 H new ATOM 0 HB2 CYS A 51 -15.174 18.909 -36.264 1.00 3.50 H new ATOM 0 HB3 CYS A 51 -16.245 19.004 -34.880 1.00 3.50 H new ATOM 0 HG CYS A 51 -17.764 19.513 -37.205 1.00 4.36 H new ATOM 794 N GLY A 52 -13.425 20.233 -32.988 1.00 2.09 N ATOM 795 CA GLY A 52 -12.457 19.550 -32.152 1.00 2.20 C ATOM 796 C GLY A 52 -11.042 19.716 -32.658 1.00 1.68 C ATOM 797 O GLY A 52 -10.376 20.708 -32.359 1.00 2.26 O ATOM 0 H GLY A 52 -13.853 21.054 -32.560 1.00 2.09 H new ATOM 0 HA2 GLY A 52 -12.524 19.935 -31.134 1.00 2.20 H new ATOM 0 HA3 GLY A 52 -12.703 18.489 -32.108 1.00 2.20 H new ATOM 801 N THR A 53 -10.586 18.751 -33.438 1.00 1.51 N ATOM 802 CA THR A 53 -9.251 18.793 -33.990 1.00 1.81 C ATOM 803 C THR A 53 -9.191 18.016 -35.304 1.00 1.47 C ATOM 804 O THR A 53 -9.754 16.922 -35.428 1.00 1.48 O ATOM 805 CB THR A 53 -8.204 18.248 -32.990 1.00 2.71 C ATOM 806 OG1 THR A 53 -6.890 18.364 -33.544 1.00 3.27 O ATOM 807 CG2 THR A 53 -8.479 16.794 -32.626 1.00 3.46 C ATOM 0 H THR A 53 -11.127 17.927 -33.702 1.00 1.51 H new ATOM 0 HA THR A 53 -9.007 19.837 -34.187 1.00 1.81 H new ATOM 0 HB THR A 53 -8.274 18.844 -32.080 1.00 2.71 H new ATOM 0 HG1 THR A 53 -6.461 17.483 -33.556 1.00 3.27 H new ATOM 0 HG21 THR A 53 -7.723 16.446 -31.922 1.00 3.46 H new ATOM 0 HG22 THR A 53 -9.465 16.714 -32.169 1.00 3.46 H new ATOM 0 HG23 THR A 53 -8.446 16.181 -33.527 1.00 3.46 H new ATOM 815 N SER A 54 -8.531 18.611 -36.283 1.00 1.25 N ATOM 816 CA SER A 54 -8.363 18.010 -37.592 1.00 1.00 C ATOM 817 C SER A 54 -7.010 18.420 -38.159 1.00 0.82 C ATOM 818 O SER A 54 -6.735 19.608 -38.325 1.00 0.89 O ATOM 819 CB SER A 54 -9.491 18.446 -38.536 1.00 1.14 C ATOM 820 OG SER A 54 -10.763 18.036 -38.051 1.00 1.71 O ATOM 0 H SER A 54 -8.095 19.529 -36.190 1.00 1.25 H new ATOM 0 HA SER A 54 -8.405 16.925 -37.497 1.00 1.00 H new ATOM 0 HB2 SER A 54 -9.475 19.530 -38.648 1.00 1.14 H new ATOM 0 HB3 SER A 54 -9.323 18.021 -39.526 1.00 1.14 H new ATOM 0 HG SER A 54 -11.461 18.330 -38.673 1.00 1.71 H new ATOM 826 N PHE A 55 -6.160 17.443 -38.428 1.00 0.67 N ATOM 827 CA PHE A 55 -4.814 17.720 -38.905 1.00 0.60 C ATOM 828 C PHE A 55 -4.652 17.280 -40.349 1.00 0.52 C ATOM 829 O PHE A 55 -5.130 16.213 -40.734 1.00 0.50 O ATOM 830 CB PHE A 55 -3.772 16.987 -38.052 1.00 0.67 C ATOM 831 CG PHE A 55 -3.772 17.363 -36.598 1.00 0.81 C ATOM 832 CD1 PHE A 55 -3.268 18.586 -36.183 1.00 0.86 C ATOM 833 CD2 PHE A 55 -4.255 16.483 -35.643 1.00 0.99 C ATOM 834 CE1 PHE A 55 -3.248 18.924 -34.844 1.00 1.03 C ATOM 835 CE2 PHE A 55 -4.240 16.816 -34.303 1.00 1.15 C ATOM 836 CZ PHE A 55 -3.734 18.038 -33.902 1.00 1.15 C ATOM 0 H PHE A 55 -6.377 16.452 -38.325 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.658 18.796 -38.830 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -3.944 15.914 -38.135 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -2.782 17.184 -38.464 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.887 19.282 -36.915 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -4.648 15.525 -35.950 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -2.853 19.880 -34.534 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -4.623 16.122 -33.569 1.00 1.15 H new ATOM 0 HZ PHE A 55 -3.719 18.300 -32.854 1.00 1.15 H new ATOM 846 N ASP A 56 -3.994 18.108 -41.145 1.00 0.51 N ATOM 847 CA ASP A 56 -3.558 17.701 -42.470 1.00 0.52 C ATOM 848 C ASP A 56 -2.072 17.395 -42.395 1.00 0.50 C ATOM 849 O ASP A 56 -1.254 18.294 -42.204 1.00 0.55 O ATOM 850 CB ASP A 56 -3.824 18.795 -43.511 1.00 0.58 C ATOM 851 CG ASP A 56 -3.593 18.317 -44.938 1.00 0.64 C ATOM 852 OD1 ASP A 56 -2.421 18.236 -45.373 1.00 1.23 O ATOM 853 OD2 ASP A 56 -4.584 18.028 -45.642 1.00 1.35 O ATOM 0 H ASP A 56 -3.750 19.067 -40.896 1.00 0.51 H new ATOM 0 HA ASP A 56 -4.119 16.821 -42.784 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.852 19.144 -43.411 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -3.177 19.648 -43.309 1.00 0.58 H new ATOM 858 N ALA A 57 -1.722 16.133 -42.514 1.00 0.48 N ATOM 859 CA ALA A 57 -0.352 15.712 -42.286 1.00 0.48 C ATOM 860 C ALA A 57 0.348 15.392 -43.589 1.00 0.44 C ATOM 861 O ALA A 57 -0.058 14.489 -44.319 1.00 0.46 O ATOM 862 CB ALA A 57 -0.319 14.505 -41.363 1.00 0.51 C ATOM 0 H ALA A 57 -2.363 15.381 -42.766 1.00 0.48 H new ATOM 0 HA ALA A 57 0.179 16.538 -41.812 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.715 14.200 -41.200 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.775 14.765 -40.408 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.873 13.684 -41.818 1.00 0.51 H new ATOM 868 N VAL A 58 1.393 16.147 -43.882 1.00 0.42 N ATOM 869 CA VAL A 58 2.198 15.894 -45.059 1.00 0.41 C ATOM 870 C VAL A 58 3.043 14.652 -44.824 1.00 0.39 C ATOM 871 O VAL A 58 3.959 14.653 -43.997 1.00 0.41 O ATOM 872 CB VAL A 58 3.116 17.089 -45.391 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.884 16.833 -46.679 1.00 0.51 C ATOM 874 CG2 VAL A 58 2.308 18.374 -45.496 1.00 0.55 C ATOM 0 H VAL A 58 1.702 16.940 -43.319 1.00 0.42 H new ATOM 0 HA VAL A 58 1.528 15.745 -45.906 1.00 0.41 H new ATOM 0 HB VAL A 58 3.835 17.203 -44.580 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.526 17.687 -46.896 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.496 15.938 -46.566 1.00 0.51 H new ATOM 0 HG13 VAL A 58 3.181 16.690 -47.500 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.974 19.204 -45.731 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.563 18.272 -46.285 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.807 18.567 -44.547 1.00 0.55 H new ATOM 884 N ILE A 59 2.721 13.598 -45.548 1.00 0.38 N ATOM 885 CA ILE A 59 3.410 12.337 -45.409 1.00 0.40 C ATOM 886 C ILE A 59 4.309 12.112 -46.615 1.00 0.44 C ATOM 887 O ILE A 59 3.847 11.888 -47.737 1.00 0.65 O ATOM 888 CB ILE A 59 2.403 11.165 -45.193 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.122 9.807 -45.030 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.367 11.107 -46.312 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.420 9.082 -46.330 1.00 0.80 C ATOM 0 H ILE A 59 1.977 13.595 -46.246 1.00 0.38 H new ATOM 0 HA ILE A 59 4.040 12.367 -44.520 1.00 0.40 H new ATOM 0 HB ILE A 59 1.877 11.367 -44.260 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.060 9.970 -44.499 1.00 1.18 H new ATOM 0 HG13 ILE A 59 2.508 9.160 -44.403 1.00 1.18 H new ATOM 0 HG21 ILE A 59 0.681 10.279 -46.130 1.00 0.77 H new ATOM 0 HG22 ILE A 59 0.808 12.042 -46.339 1.00 0.77 H new ATOM 0 HG23 ILE A 59 1.871 10.958 -47.267 1.00 0.77 H new ATOM 0 HD11 ILE A 59 3.925 8.140 -46.114 1.00 0.80 H new ATOM 0 HD12 ILE A 59 2.487 8.881 -46.857 1.00 0.80 H new ATOM 0 HD13 ILE A 59 4.062 9.703 -46.954 1.00 0.80 H new ATOM 903 N VAL A 60 5.599 12.235 -46.381 1.00 0.39 N ATOM 904 CA VAL A 60 6.589 11.992 -47.406 1.00 0.42 C ATOM 905 C VAL A 60 7.312 10.693 -47.096 1.00 0.40 C ATOM 906 O VAL A 60 8.137 10.643 -46.191 1.00 0.44 O ATOM 907 CB VAL A 60 7.608 13.152 -47.493 1.00 0.51 C ATOM 908 CG1 VAL A 60 8.641 12.894 -48.579 1.00 0.58 C ATOM 909 CG2 VAL A 60 6.895 14.474 -47.738 1.00 0.58 C ATOM 0 H VAL A 60 5.988 12.505 -45.478 1.00 0.39 H new ATOM 0 HA VAL A 60 6.083 11.921 -48.369 1.00 0.42 H new ATOM 0 HB VAL A 60 8.131 13.212 -46.538 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.344 13.726 -48.617 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.180 11.973 -48.357 1.00 0.58 H new ATOM 0 HG13 VAL A 60 8.140 12.798 -49.542 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.629 15.278 -47.796 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.341 14.420 -48.675 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.204 14.672 -46.919 1.00 0.58 H new ATOM 919 N SER A 61 6.979 9.638 -47.821 1.00 0.39 N ATOM 920 CA SER A 61 7.532 8.324 -47.534 1.00 0.42 C ATOM 921 C SER A 61 7.748 7.525 -48.810 1.00 0.42 C ATOM 922 O SER A 61 7.067 7.738 -49.815 1.00 0.43 O ATOM 923 CB SER A 61 6.601 7.559 -46.592 1.00 0.45 C ATOM 924 OG SER A 61 7.044 6.226 -46.392 1.00 0.84 O ATOM 0 H SER A 61 6.332 9.665 -48.609 1.00 0.39 H new ATOM 0 HA SER A 61 8.500 8.463 -47.053 1.00 0.42 H new ATOM 0 HB2 SER A 61 6.549 8.074 -45.633 1.00 0.45 H new ATOM 0 HB3 SER A 61 5.592 7.550 -47.004 1.00 0.45 H new ATOM 0 HG SER A 61 7.375 6.125 -45.475 1.00 0.84 H new ATOM 930 N ASN A 62 8.704 6.608 -48.754 1.00 0.51 N ATOM 931 CA ASN A 62 8.966 5.689 -49.853 1.00 0.57 C ATOM 932 C ASN A 62 7.804 4.724 -50.028 1.00 0.56 C ATOM 933 O ASN A 62 7.630 4.125 -51.082 1.00 0.59 O ATOM 934 CB ASN A 62 10.255 4.909 -49.604 1.00 0.75 C ATOM 935 CG ASN A 62 11.450 5.820 -49.441 1.00 0.86 C ATOM 936 OD1 ASN A 62 11.851 6.152 -48.325 1.00 1.67 O ATOM 937 ND2 ASN A 62 12.004 6.261 -50.554 1.00 0.76 N ATOM 0 H ASN A 62 9.317 6.480 -47.949 1.00 0.51 H new ATOM 0 HA ASN A 62 9.080 6.274 -50.766 1.00 0.57 H new ATOM 0 HB2 ASN A 62 10.141 4.298 -48.709 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.431 4.226 -50.435 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.796 6.902 -50.510 1.00 0.76 H new ATOM 0 HD22 ASN A 62 11.640 5.961 -51.458 1.00 0.76 H new ATOM 944 N ASN A 63 6.992 4.595 -48.989 1.00 0.57 N ATOM 945 CA ASN A 63 5.821 3.729 -49.037 1.00 0.66 C ATOM 946 C ASN A 63 4.827 4.234 -50.086 1.00 0.67 C ATOM 947 O ASN A 63 3.962 3.494 -50.554 1.00 0.86 O ATOM 948 CB ASN A 63 5.153 3.669 -47.660 1.00 0.73 C ATOM 949 CG ASN A 63 4.060 2.618 -47.577 1.00 1.03 C ATOM 950 OD1 ASN A 63 4.122 1.586 -48.239 1.00 1.81 O ATOM 951 ND2 ASN A 63 3.056 2.870 -46.751 1.00 1.00 N ATOM 0 H ASN A 63 7.122 5.079 -48.101 1.00 0.57 H new ATOM 0 HA ASN A 63 6.141 2.725 -49.317 1.00 0.66 H new ATOM 0 HB2 ASN A 63 5.910 3.459 -46.904 1.00 0.73 H new ATOM 0 HB3 ASN A 63 4.729 4.645 -47.425 1.00 0.73 H new ATOM 0 HD21 ASN A 63 2.299 2.195 -46.648 1.00 1.00 H new ATOM 0 HD22 ASN A 63 3.040 3.739 -46.218 1.00 1.00 H new ATOM 958 N PHE A 64 4.968 5.499 -50.466 1.00 0.60 N ATOM 959 CA PHE A 64 4.064 6.104 -51.431 1.00 0.67 C ATOM 960 C PHE A 64 4.611 5.999 -52.857 1.00 0.60 C ATOM 961 O PHE A 64 3.850 6.090 -53.822 1.00 0.65 O ATOM 962 CB PHE A 64 3.799 7.569 -51.064 1.00 0.80 C ATOM 963 CG PHE A 64 2.789 8.243 -51.951 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.462 7.842 -51.942 1.00 1.84 C ATOM 965 CD2 PHE A 64 3.168 9.271 -52.800 1.00 2.11 C ATOM 966 CE1 PHE A 64 0.533 8.452 -52.763 1.00 2.66 C ATOM 967 CE2 PHE A 64 2.245 9.884 -53.624 1.00 2.95 C ATOM 968 CZ PHE A 64 0.925 9.475 -53.605 1.00 3.19 C ATOM 0 H PHE A 64 5.698 6.122 -50.121 1.00 0.60 H new ATOM 0 HA PHE A 64 3.123 5.555 -51.398 1.00 0.67 H new ATOM 0 HB2 PHE A 64 3.453 7.618 -50.032 1.00 0.80 H new ATOM 0 HB3 PHE A 64 4.737 8.122 -51.112 1.00 0.80 H new ATOM 0 HD1 PHE A 64 1.151 7.043 -51.285 1.00 1.84 H new ATOM 0 HD2 PHE A 64 4.198 9.596 -52.817 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.498 8.130 -52.747 1.00 2.66 H new ATOM 0 HE2 PHE A 64 2.554 10.682 -54.283 1.00 2.95 H new ATOM 0 HZ PHE A 64 0.201 9.954 -54.247 1.00 3.19 H new ATOM 978 N GLU A 65 5.921 5.780 -53.003 1.00 0.58 N ATOM 979 CA GLU A 65 6.528 5.748 -54.335 1.00 0.61 C ATOM 980 C GLU A 65 6.108 4.488 -55.082 1.00 0.65 C ATOM 981 O GLU A 65 6.172 4.432 -56.309 1.00 0.75 O ATOM 982 CB GLU A 65 8.063 5.856 -54.279 1.00 0.71 C ATOM 983 CG GLU A 65 8.764 4.641 -53.695 1.00 0.87 C ATOM 984 CD GLU A 65 10.275 4.762 -53.728 1.00 1.55 C ATOM 985 OE1 GLU A 65 10.841 5.479 -52.880 1.00 2.11 O ATOM 986 OE2 GLU A 65 10.905 4.137 -54.608 1.00 2.14 O ATOM 0 H GLU A 65 6.570 5.625 -52.232 1.00 0.58 H new ATOM 0 HA GLU A 65 6.164 6.621 -54.877 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.439 6.025 -55.288 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.331 6.732 -53.688 1.00 0.71 H new ATOM 0 HG2 GLU A 65 8.438 4.499 -52.665 1.00 0.87 H new ATOM 0 HG3 GLU A 65 8.463 3.752 -54.250 1.00 0.87 H new ATOM 993 N ASP A 66 5.660 3.488 -54.332 1.00 0.69 N ATOM 994 CA ASP A 66 5.134 2.261 -54.921 1.00 0.84 C ATOM 995 C ASP A 66 3.811 2.528 -55.619 1.00 0.80 C ATOM 996 O ASP A 66 3.377 1.749 -56.470 1.00 0.93 O ATOM 997 CB ASP A 66 4.949 1.182 -53.854 1.00 1.00 C ATOM 998 CG ASP A 66 6.264 0.618 -53.371 1.00 1.40 C ATOM 999 OD1 ASP A 66 6.867 -0.192 -54.104 1.00 1.94 O ATOM 1000 OD2 ASP A 66 6.706 0.991 -52.268 1.00 2.03 O ATOM 0 H ASP A 66 5.650 3.502 -53.312 1.00 0.69 H new ATOM 0 HA ASP A 66 5.856 1.905 -55.656 1.00 0.84 H new ATOM 0 HB2 ASP A 66 4.404 1.601 -53.008 1.00 1.00 H new ATOM 0 HB3 ASP A 66 4.338 0.375 -54.259 1.00 1.00 H new ATOM 1005 N LYS A 67 3.171 3.634 -55.232 1.00 0.78 N ATOM 1006 CA LYS A 67 1.916 4.078 -55.837 1.00 0.88 C ATOM 1007 C LYS A 67 0.801 3.065 -55.578 1.00 0.78 C ATOM 1008 O LYS A 67 -0.220 3.057 -56.264 1.00 0.86 O ATOM 1009 CB LYS A 67 2.108 4.299 -57.343 1.00 1.17 C ATOM 1010 CG LYS A 67 1.489 5.585 -57.870 1.00 1.67 C ATOM 1011 CD LYS A 67 2.042 6.815 -57.158 1.00 2.00 C ATOM 1012 CE LYS A 67 3.565 6.880 -57.213 1.00 2.46 C ATOM 1013 NZ LYS A 67 4.084 7.009 -58.601 1.00 3.31 N ATOM 0 H LYS A 67 3.510 4.246 -54.490 1.00 0.78 H new ATOM 0 HA LYS A 67 1.624 5.023 -55.379 1.00 0.88 H new ATOM 0 HB2 LYS A 67 3.175 4.306 -57.564 1.00 1.17 H new ATOM 0 HB3 LYS A 67 1.676 3.455 -57.880 1.00 1.17 H new ATOM 0 HG2 LYS A 67 1.680 5.668 -58.940 1.00 1.67 H new ATOM 0 HG3 LYS A 67 0.407 5.547 -57.741 1.00 1.67 H new ATOM 0 HD2 LYS A 67 1.626 7.714 -57.613 1.00 2.00 H new ATOM 0 HD3 LYS A 67 1.718 6.806 -56.117 1.00 2.00 H new ATOM 0 HE2 LYS A 67 3.910 7.727 -56.620 1.00 2.46 H new ATOM 0 HE3 LYS A 67 3.980 5.981 -56.756 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 5.123 7.049 -58.581 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 3.780 6.189 -59.163 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 3.712 7.880 -59.031 1.00 3.31 H new ATOM 1027 N LYS A 68 1.003 2.224 -54.567 1.00 0.83 N ATOM 1028 CA LYS A 68 0.042 1.189 -54.213 1.00 0.90 C ATOM 1029 C LYS A 68 -1.104 1.785 -53.405 1.00 0.82 C ATOM 1030 O LYS A 68 -0.957 2.060 -52.212 1.00 0.87 O ATOM 1031 CB LYS A 68 0.725 0.085 -53.401 1.00 1.16 C ATOM 1032 CG LYS A 68 1.941 -0.531 -54.079 1.00 1.35 C ATOM 1033 CD LYS A 68 1.565 -1.318 -55.323 1.00 1.37 C ATOM 1034 CE LYS A 68 0.757 -2.559 -54.980 1.00 1.55 C ATOM 1035 NZ LYS A 68 0.374 -3.324 -56.195 1.00 1.99 N ATOM 0 H LYS A 68 1.833 2.242 -53.975 1.00 0.83 H new ATOM 0 HA LYS A 68 -0.356 0.760 -55.133 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.029 0.494 -52.438 1.00 1.16 H new ATOM 0 HB3 LYS A 68 -0.001 -0.702 -53.198 1.00 1.16 H new ATOM 0 HG2 LYS A 68 2.644 0.258 -54.348 1.00 1.35 H new ATOM 0 HG3 LYS A 68 2.453 -1.188 -53.376 1.00 1.35 H new ATOM 0 HD2 LYS A 68 0.988 -0.683 -55.995 1.00 1.37 H new ATOM 0 HD3 LYS A 68 2.470 -1.609 -55.857 1.00 1.37 H new ATOM 0 HE2 LYS A 68 1.339 -3.199 -54.316 1.00 1.55 H new ATOM 0 HE3 LYS A 68 -0.142 -2.268 -54.436 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 -0.176 -4.162 -55.918 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 -0.202 -2.722 -56.817 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 1.232 -3.624 -56.701 1.00 1.99 H new ATOM 1049 N LEU A 69 -2.240 1.987 -54.057 1.00 0.84 N ATOM 1050 CA LEU A 69 -3.389 2.598 -53.409 1.00 0.91 C ATOM 1051 C LEU A 69 -3.957 1.677 -52.335 1.00 0.85 C ATOM 1052 O LEU A 69 -4.250 2.118 -51.225 1.00 0.83 O ATOM 1053 CB LEU A 69 -4.463 2.982 -54.447 1.00 1.16 C ATOM 1054 CG LEU A 69 -5.053 1.835 -55.279 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -6.326 1.294 -54.640 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -5.333 2.301 -56.699 1.00 2.33 C ATOM 0 H LEU A 69 -2.390 1.736 -55.034 1.00 0.84 H new ATOM 0 HA LEU A 69 -3.060 3.514 -52.919 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -5.280 3.480 -53.924 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -4.031 3.712 -55.131 1.00 1.16 H new ATOM 0 HG LEU A 69 -4.320 1.029 -55.311 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -6.723 0.483 -55.250 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -6.101 0.921 -53.641 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -7.066 2.091 -54.571 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -5.751 1.477 -57.277 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -6.045 3.126 -56.677 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -4.404 2.634 -57.162 1.00 2.33 H new ATOM 1068 N LEU A 70 -4.079 0.396 -52.658 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.629 -0.577 -51.725 1.00 0.91 C ATOM 1070 C LEU A 70 -3.695 -0.791 -50.532 1.00 0.79 C ATOM 1071 O LEU A 70 -4.152 -1.054 -49.420 1.00 0.80 O ATOM 1072 CB LEU A 70 -4.997 -1.909 -52.433 1.00 1.06 C ATOM 1073 CG LEU A 70 -3.865 -2.811 -52.986 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -2.853 -2.037 -53.819 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -3.177 -3.586 -51.870 1.00 1.07 C ATOM 0 H LEU A 70 -3.804 0.007 -53.560 1.00 0.89 H new ATOM 0 HA LEU A 70 -5.560 -0.169 -51.332 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.577 -2.505 -51.728 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -5.658 -1.666 -53.265 1.00 1.06 H new ATOM 0 HG LEU A 70 -4.341 -3.528 -53.655 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -2.083 -2.718 -54.181 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -3.357 -1.576 -54.668 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -2.393 -1.262 -53.205 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -2.388 -4.209 -52.292 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -2.744 -2.887 -51.155 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -3.906 -4.218 -51.363 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.392 -0.656 -50.756 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.418 -0.865 -49.689 1.00 0.70 C ATOM 1089 C ASP A 71 -1.426 0.287 -48.700 1.00 0.63 C ATOM 1090 O ASP A 71 -1.430 0.068 -47.492 1.00 0.63 O ATOM 1091 CB ASP A 71 -0.011 -1.088 -50.238 1.00 0.77 C ATOM 1092 CG ASP A 71 0.205 -2.517 -50.693 1.00 1.25 C ATOM 1093 OD1 ASP A 71 0.465 -3.388 -49.834 1.00 1.58 O ATOM 1094 OD2 ASP A 71 0.100 -2.782 -51.908 1.00 2.08 O ATOM 0 H ASP A 71 -1.988 -0.405 -51.658 1.00 0.72 H new ATOM 0 HA ASP A 71 -1.717 -1.771 -49.162 1.00 0.70 H new ATOM 0 HB2 ASP A 71 0.162 -0.412 -51.075 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.721 -0.838 -49.470 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.453 1.518 -49.197 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.528 2.661 -48.300 1.00 0.74 C ATOM 1101 C ARG A 72 -2.888 2.685 -47.604 1.00 0.67 C ATOM 1102 O ARG A 72 -2.998 3.091 -46.452 1.00 0.68 O ATOM 1103 CB ARG A 72 -1.254 3.985 -49.032 1.00 0.92 C ATOM 1104 CG ARG A 72 -2.275 4.361 -50.097 1.00 1.31 C ATOM 1105 CD ARG A 72 -1.964 5.732 -50.681 1.00 1.53 C ATOM 1106 NE ARG A 72 -2.934 6.147 -51.696 1.00 1.92 N ATOM 1107 CZ ARG A 72 -3.427 7.384 -51.792 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -3.074 8.315 -50.913 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -4.266 7.691 -52.771 1.00 2.93 N ATOM 0 H ARG A 72 -1.425 1.746 -50.191 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.747 2.553 -47.547 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -1.210 4.787 -48.295 1.00 0.92 H new ATOM 0 HB3 ARG A 72 -0.271 3.927 -49.499 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -2.272 3.613 -50.890 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -3.275 4.363 -49.664 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -1.947 6.469 -49.878 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -0.967 5.717 -51.122 1.00 1.53 H new ATOM 0 HE ARG A 72 -3.252 5.450 -52.369 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -2.424 8.086 -50.161 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -3.453 9.259 -50.990 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -4.536 6.982 -53.452 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -4.642 8.637 -52.843 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.912 2.206 -48.305 1.00 0.68 N ATOM 1124 CA HIS A 73 -5.255 2.100 -47.741 1.00 0.71 C ATOM 1125 C HIS A 73 -5.270 1.112 -46.575 1.00 0.62 C ATOM 1126 O HIS A 73 -5.734 1.439 -45.485 1.00 0.62 O ATOM 1127 CB HIS A 73 -6.241 1.663 -48.838 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.665 1.508 -48.388 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -8.519 2.572 -48.201 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.391 0.395 -48.118 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.706 2.123 -47.840 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.657 0.806 -47.780 1.00 1.15 N ATOM 0 H HIS A 73 -3.837 1.883 -49.270 1.00 0.68 H new ATOM 0 HA HIS A 73 -5.560 3.074 -47.359 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -6.209 2.394 -49.646 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.902 0.714 -49.253 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.039 -0.625 -48.161 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -10.573 2.732 -47.629 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.432 0.194 -47.525 1.00 1.15 H new ATOM 1141 N ARG A 74 -4.733 -0.085 -46.806 1.00 0.60 N ATOM 1142 CA ARG A 74 -4.739 -1.137 -45.792 1.00 0.59 C ATOM 1143 C ARG A 74 -3.917 -0.719 -44.568 1.00 0.51 C ATOM 1144 O ARG A 74 -4.320 -0.965 -43.430 1.00 0.52 O ATOM 1145 CB ARG A 74 -4.215 -2.460 -46.385 1.00 0.68 C ATOM 1146 CG ARG A 74 -2.703 -2.523 -46.538 1.00 0.74 C ATOM 1147 CD ARG A 74 -2.272 -3.369 -47.726 1.00 0.86 C ATOM 1148 NE ARG A 74 -2.689 -4.763 -47.624 1.00 0.88 N ATOM 1149 CZ ARG A 74 -2.218 -5.728 -48.415 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -1.276 -5.461 -49.315 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -2.676 -6.965 -48.301 1.00 1.32 N ATOM 0 H ARG A 74 -4.289 -0.350 -47.685 1.00 0.60 H new ATOM 0 HA ARG A 74 -5.767 -1.294 -45.465 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -4.538 -3.283 -45.748 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -4.674 -2.614 -47.362 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -2.311 -1.513 -46.654 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -2.266 -2.932 -45.627 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -2.686 -2.939 -48.638 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -1.187 -3.328 -47.818 1.00 0.86 H new ATOM 0 HE ARG A 74 -3.375 -5.012 -46.912 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -0.909 -4.513 -49.404 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -0.920 -6.204 -49.917 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -3.391 -7.182 -47.607 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -2.314 -7.701 -48.907 1.00 1.32 H new ATOM 1165 N LEU A 75 -2.785 -0.058 -44.806 1.00 0.47 N ATOM 1166 CA LEU A 75 -1.920 0.401 -43.721 1.00 0.46 C ATOM 1167 C LEU A 75 -2.606 1.481 -42.894 1.00 0.42 C ATOM 1168 O LEU A 75 -2.689 1.378 -41.665 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.594 0.936 -44.272 1.00 0.51 C ATOM 1170 CG LEU A 75 0.586 -0.043 -44.235 1.00 0.79 C ATOM 1171 CD1 LEU A 75 0.893 -0.456 -42.804 1.00 1.48 C ATOM 1172 CD2 LEU A 75 0.306 -1.266 -45.094 1.00 1.36 C ATOM 0 H LEU A 75 -2.446 0.171 -45.740 1.00 0.47 H new ATOM 0 HA LEU A 75 -1.717 -0.455 -43.078 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -0.751 1.248 -45.304 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.320 1.827 -43.707 1.00 0.51 H new ATOM 0 HG LEU A 75 1.459 0.465 -44.644 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.733 -1.151 -42.798 1.00 1.48 H new ATOM 0 HD12 LEU A 75 1.148 0.427 -42.217 1.00 1.48 H new ATOM 0 HD13 LEU A 75 0.019 -0.940 -42.370 1.00 1.48 H new ATOM 0 HD21 LEU A 75 1.158 -1.944 -45.050 1.00 1.36 H new ATOM 0 HD22 LEU A 75 -0.583 -1.776 -44.722 1.00 1.36 H new ATOM 0 HD23 LEU A 75 0.142 -0.956 -46.126 1.00 1.36 H new ATOM 1184 N VAL A 76 -3.106 2.506 -43.573 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.768 3.614 -42.902 1.00 0.50 C ATOM 1186 C VAL A 76 -4.945 3.123 -42.071 1.00 0.48 C ATOM 1187 O VAL A 76 -5.094 3.508 -40.919 1.00 0.50 O ATOM 1188 CB VAL A 76 -4.245 4.692 -43.906 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -5.186 5.690 -43.244 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -3.052 5.422 -44.508 1.00 0.82 C ATOM 0 H VAL A 76 -3.065 2.592 -44.589 1.00 0.45 H new ATOM 0 HA VAL A 76 -3.032 4.070 -42.240 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.792 4.185 -44.701 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -5.502 6.433 -43.976 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -6.060 5.165 -42.859 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -4.670 6.187 -42.423 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -3.404 6.176 -45.212 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -2.482 5.904 -43.714 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -2.414 4.709 -45.030 1.00 0.82 H new ATOM 1200 N ASN A 77 -5.768 2.252 -42.636 1.00 0.48 N ATOM 1201 CA ASN A 77 -6.931 1.755 -41.910 1.00 0.53 C ATOM 1202 C ASN A 77 -6.515 0.980 -40.662 1.00 0.49 C ATOM 1203 O ASN A 77 -7.103 1.158 -39.602 1.00 0.54 O ATOM 1204 CB ASN A 77 -7.809 0.869 -42.800 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.454 1.619 -43.957 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -8.729 1.036 -44.999 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -8.703 2.912 -43.788 1.00 0.92 N ATOM 0 H ASN A 77 -5.657 1.879 -43.579 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.512 2.625 -41.605 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.204 0.055 -43.198 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.591 0.417 -42.190 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -9.136 3.450 -44.538 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -8.462 3.367 -42.908 1.00 0.92 H new ATOM 1214 N THR A 78 -5.482 0.152 -40.783 1.00 0.45 N ATOM 1215 CA THR A 78 -5.055 -0.707 -39.682 1.00 0.50 C ATOM 1216 C THR A 78 -4.679 0.100 -38.432 1.00 0.46 C ATOM 1217 O THR A 78 -5.218 -0.138 -37.346 1.00 0.50 O ATOM 1218 CB THR A 78 -3.862 -1.596 -40.098 1.00 0.57 C ATOM 1219 OG1 THR A 78 -4.219 -2.394 -41.234 1.00 0.62 O ATOM 1220 CG2 THR A 78 -3.435 -2.504 -38.955 1.00 0.69 C ATOM 0 H THR A 78 -4.925 0.057 -41.632 1.00 0.45 H new ATOM 0 HA THR A 78 -5.907 -1.340 -39.437 1.00 0.50 H new ATOM 0 HB THR A 78 -3.027 -0.944 -40.355 1.00 0.57 H new ATOM 0 HG1 THR A 78 -3.876 -1.973 -42.050 1.00 0.62 H new ATOM 0 HG21 THR A 78 -2.594 -3.119 -39.274 1.00 0.69 H new ATOM 0 HG22 THR A 78 -3.137 -1.897 -38.100 1.00 0.69 H new ATOM 0 HG23 THR A 78 -4.268 -3.147 -38.671 1.00 0.69 H new ATOM 1228 N ILE A 79 -3.766 1.055 -38.579 1.00 0.44 N ATOM 1229 CA ILE A 79 -3.278 1.816 -37.428 1.00 0.45 C ATOM 1230 C ILE A 79 -4.160 3.034 -37.163 1.00 0.45 C ATOM 1231 O ILE A 79 -4.614 3.276 -36.033 1.00 0.50 O ATOM 1232 CB ILE A 79 -1.811 2.290 -37.617 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -0.852 1.103 -37.781 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.370 3.157 -36.443 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.829 0.512 -39.175 1.00 0.77 C ATOM 0 H ILE A 79 -3.351 1.320 -39.472 1.00 0.44 H new ATOM 0 HA ILE A 79 -3.317 1.139 -36.575 1.00 0.45 H new ATOM 0 HB ILE A 79 -1.776 2.884 -38.531 1.00 0.51 H new ATOM 0 HG12 ILE A 79 0.156 1.425 -37.518 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -1.132 0.323 -37.072 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.340 3.479 -36.595 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.017 4.032 -36.374 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.438 2.581 -35.520 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.127 -0.321 -39.205 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -1.826 0.156 -39.436 1.00 0.77 H new ATOM 0 HD13 ILE A 79 -0.518 1.275 -39.889 1.00 0.77 H new ATOM 1247 N LEU A 80 -4.434 3.782 -38.217 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.144 5.038 -38.079 1.00 0.52 C ATOM 1249 C LEU A 80 -6.621 4.819 -37.778 1.00 0.56 C ATOM 1250 O LEU A 80 -7.344 5.776 -37.553 1.00 0.63 O ATOM 1251 CB LEU A 80 -4.967 5.935 -39.313 1.00 0.56 C ATOM 1252 CG LEU A 80 -3.581 6.583 -39.472 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -2.521 5.549 -39.827 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -3.626 7.678 -40.524 1.00 0.71 C ATOM 0 H LEU A 80 -4.176 3.541 -39.174 1.00 0.45 H new ATOM 0 HA LEU A 80 -4.701 5.556 -37.228 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.175 5.342 -40.204 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -5.716 6.726 -39.275 1.00 0.56 H new ATOM 0 HG LEU A 80 -3.308 7.025 -38.514 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -1.554 6.041 -39.932 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -2.464 4.801 -39.037 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -2.786 5.065 -40.767 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -2.638 8.127 -40.625 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -3.930 7.252 -41.480 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -4.343 8.442 -40.223 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.076 3.566 -37.771 1.00 0.57 N ATOM 1267 CA LYS A 81 -8.406 3.263 -37.253 1.00 0.68 C ATOM 1268 C LYS A 81 -8.522 3.781 -35.828 1.00 0.68 C ATOM 1269 O LYS A 81 -9.343 4.644 -35.532 1.00 0.72 O ATOM 1270 CB LYS A 81 -8.678 1.756 -37.274 1.00 0.77 C ATOM 1271 CG LYS A 81 -10.031 1.360 -36.697 1.00 1.02 C ATOM 1272 CD LYS A 81 -11.186 1.983 -37.469 1.00 0.99 C ATOM 1273 CE LYS A 81 -11.192 1.538 -38.922 1.00 1.56 C ATOM 1274 NZ LYS A 81 -12.367 2.068 -39.660 1.00 1.93 N ATOM 0 H LYS A 81 -6.553 2.759 -38.112 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.143 3.751 -37.890 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -8.616 1.401 -38.303 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -7.893 1.248 -36.713 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -10.128 0.274 -36.713 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -10.084 1.669 -35.653 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -12.130 1.706 -36.999 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.113 3.069 -37.421 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -10.276 1.874 -39.408 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -11.196 0.449 -38.968 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -12.333 1.741 -40.647 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -13.241 1.727 -39.212 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -12.350 3.108 -39.639 1.00 1.93 H new ATOM 1288 N GLU A 82 -7.658 3.272 -34.960 1.00 0.69 N ATOM 1289 CA GLU A 82 -7.643 3.679 -33.564 1.00 0.73 C ATOM 1290 C GLU A 82 -7.191 5.128 -33.442 1.00 0.67 C ATOM 1291 O GLU A 82 -7.636 5.853 -32.551 1.00 0.68 O ATOM 1292 CB GLU A 82 -6.707 2.772 -32.763 1.00 0.90 C ATOM 1293 CG GLU A 82 -7.193 1.338 -32.648 1.00 1.53 C ATOM 1294 CD GLU A 82 -8.257 1.172 -31.584 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -9.422 1.548 -31.828 1.00 2.91 O ATOM 1296 OE2 GLU A 82 -7.929 0.680 -30.485 1.00 2.75 O ATOM 0 H GLU A 82 -6.955 2.573 -35.201 1.00 0.69 H new ATOM 0 HA GLU A 82 -8.653 3.590 -33.164 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -5.723 2.776 -33.232 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -6.584 3.186 -31.762 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -7.591 1.014 -33.610 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -6.348 0.689 -32.418 1.00 1.53 H new ATOM 1303 N GLU A 83 -6.302 5.535 -34.343 1.00 0.64 N ATOM 1304 CA GLU A 83 -5.835 6.915 -34.407 1.00 0.64 C ATOM 1305 C GLU A 83 -7.010 7.888 -34.527 1.00 0.55 C ATOM 1306 O GLU A 83 -7.172 8.799 -33.707 1.00 0.58 O ATOM 1307 CB GLU A 83 -4.935 7.066 -35.622 1.00 0.70 C ATOM 1308 CG GLU A 83 -4.065 8.295 -35.599 1.00 0.64 C ATOM 1309 CD GLU A 83 -2.758 8.044 -34.879 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -2.750 8.065 -33.631 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -1.745 7.804 -35.566 1.00 1.66 O ATOM 0 H GLU A 83 -5.888 4.922 -35.045 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.291 7.147 -33.491 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.298 6.185 -35.699 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.555 7.091 -36.518 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.862 8.616 -36.621 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -4.599 9.110 -35.110 1.00 0.64 H new ATOM 1318 N LEU A 84 -7.836 7.660 -35.549 1.00 0.49 N ATOM 1319 CA LEU A 84 -9.009 8.492 -35.848 1.00 0.48 C ATOM 1320 C LEU A 84 -9.901 8.698 -34.632 1.00 0.52 C ATOM 1321 O LEU A 84 -10.564 9.723 -34.530 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.854 7.890 -36.976 1.00 0.50 C ATOM 1323 CG LEU A 84 -9.166 7.783 -38.339 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -10.148 7.312 -39.399 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.540 9.108 -38.739 1.00 0.51 C ATOM 0 H LEU A 84 -7.711 6.885 -36.201 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.612 9.458 -36.160 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -10.174 6.893 -36.672 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.755 8.493 -37.091 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.368 7.045 -38.257 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.640 7.242 -40.361 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.539 6.333 -39.123 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -10.971 8.023 -39.474 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -8.058 9.004 -39.711 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -9.314 9.873 -38.798 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.798 9.399 -37.995 1.00 0.51 H new ATOM 1337 N GLN A 85 -9.938 7.723 -33.732 1.00 0.57 N ATOM 1338 CA GLN A 85 -10.821 7.791 -32.568 1.00 0.67 C ATOM 1339 C GLN A 85 -10.601 9.082 -31.773 1.00 0.70 C ATOM 1340 O GLN A 85 -11.506 9.559 -31.088 1.00 0.81 O ATOM 1341 CB GLN A 85 -10.615 6.593 -31.634 1.00 0.75 C ATOM 1342 CG GLN A 85 -10.788 5.225 -32.285 1.00 0.80 C ATOM 1343 CD GLN A 85 -11.964 5.156 -33.235 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -13.100 4.914 -32.830 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -11.685 5.306 -34.517 1.00 0.72 N ATOM 0 H GLN A 85 -9.370 6.877 -33.783 1.00 0.57 H new ATOM 0 HA GLN A 85 -11.841 7.774 -32.952 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -9.613 6.652 -31.210 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -11.317 6.674 -30.805 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -9.877 4.971 -32.827 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -10.915 4.473 -31.506 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -10.729 5.506 -34.811 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.426 5.222 -35.213 1.00 0.72 H new ATOM 1354 N ASN A 86 -9.403 9.653 -31.877 1.00 0.64 N ATOM 1355 CA ASN A 86 -9.059 10.852 -31.119 1.00 0.71 C ATOM 1356 C ASN A 86 -9.016 12.086 -32.020 1.00 0.67 C ATOM 1357 O ASN A 86 -8.606 13.165 -31.590 1.00 0.77 O ATOM 1358 CB ASN A 86 -7.705 10.674 -30.421 1.00 0.75 C ATOM 1359 CG ASN A 86 -7.656 9.441 -29.537 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -8.068 9.473 -28.375 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -7.130 8.347 -30.074 1.00 0.87 N ATOM 0 H ASN A 86 -8.656 9.305 -32.478 1.00 0.64 H new ATOM 0 HA ASN A 86 -9.835 11.002 -30.368 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.919 10.607 -31.174 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -7.494 11.557 -29.817 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -7.056 7.493 -29.522 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -6.800 8.361 -31.039 1.00 0.87 H new ATOM 1368 N ILE A 87 -9.450 11.926 -33.265 1.00 0.61 N ATOM 1369 CA ILE A 87 -9.435 13.019 -34.236 1.00 0.62 C ATOM 1370 C ILE A 87 -10.810 13.145 -34.888 1.00 0.67 C ATOM 1371 O ILE A 87 -11.571 12.184 -34.922 1.00 0.77 O ATOM 1372 CB ILE A 87 -8.380 12.780 -35.348 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -7.069 12.261 -34.751 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -8.126 14.060 -36.135 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -6.000 11.970 -35.782 1.00 0.59 C ATOM 0 H ILE A 87 -9.818 11.047 -33.629 1.00 0.61 H new ATOM 0 HA ILE A 87 -9.178 13.933 -33.701 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.775 12.025 -36.028 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.687 12.997 -34.043 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -7.273 11.351 -34.186 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -7.383 13.870 -36.909 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -9.055 14.393 -36.597 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.758 14.834 -35.462 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -5.102 11.607 -35.282 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.361 11.211 -36.476 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.766 12.882 -36.331 1.00 0.59 H new ATOM 1387 N HIS A 88 -11.140 14.322 -35.397 1.00 0.71 N ATOM 1388 CA HIS A 88 -12.391 14.487 -36.119 1.00 0.80 C ATOM 1389 C HIS A 88 -12.191 14.127 -37.586 1.00 0.76 C ATOM 1390 O HIS A 88 -12.815 13.198 -38.100 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.926 15.915 -35.985 1.00 0.95 C ATOM 1392 CG HIS A 88 -14.272 16.108 -36.618 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -15.450 15.770 -35.994 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.620 16.592 -37.833 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -16.463 16.036 -36.794 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.990 16.536 -37.922 1.00 1.85 N ATOM 0 H HIS A 88 -10.569 15.164 -35.325 1.00 0.71 H new ATOM 0 HA HIS A 88 -13.131 13.816 -35.683 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.989 16.174 -34.928 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -12.216 16.605 -36.440 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -13.945 16.956 -38.593 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -17.506 15.873 -36.566 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.548 16.831 -38.724 1.00 1.85 H new ATOM 1405 N ALA A 89 -11.312 14.857 -38.257 1.00 0.69 N ATOM 1406 CA ALA A 89 -11.015 14.584 -39.653 1.00 0.68 C ATOM 1407 C ALA A 89 -9.522 14.685 -39.922 1.00 0.62 C ATOM 1408 O ALA A 89 -8.988 15.772 -40.136 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.790 15.526 -40.560 1.00 0.78 C ATOM 0 H ALA A 89 -10.794 15.640 -37.858 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.328 13.563 -39.872 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.554 15.305 -41.601 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.859 15.393 -40.395 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -11.514 16.556 -40.336 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.846 13.549 -39.876 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.429 13.504 -40.186 1.00 0.47 C ATOM 1417 C PHE A 90 -7.223 13.380 -41.692 1.00 0.48 C ATOM 1418 O PHE A 90 -7.684 12.425 -42.317 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.757 12.334 -39.461 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.270 12.262 -39.676 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.411 13.066 -38.943 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.730 11.388 -40.608 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -3.043 12.998 -39.134 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.363 11.319 -40.802 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.520 12.125 -40.065 1.00 0.49 C ATOM 0 H PHE A 90 -9.255 12.648 -39.628 1.00 0.52 H new ATOM 0 HA PHE A 90 -6.970 14.432 -39.844 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.957 12.417 -38.393 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.209 11.401 -39.798 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.815 13.753 -38.214 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.385 10.755 -41.188 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.385 13.628 -38.555 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -2.955 10.634 -41.531 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.452 12.072 -40.217 1.00 0.49 H new ATOM 1435 N SER A 91 -6.550 14.357 -42.268 1.00 0.44 N ATOM 1436 CA SER A 91 -6.230 14.341 -43.683 1.00 0.48 C ATOM 1437 C SER A 91 -4.723 14.189 -43.864 1.00 0.45 C ATOM 1438 O SER A 91 -3.949 14.498 -42.958 1.00 0.52 O ATOM 1439 CB SER A 91 -6.723 15.627 -44.349 1.00 0.56 C ATOM 1440 OG SER A 91 -8.116 15.804 -44.145 1.00 1.27 O ATOM 0 H SER A 91 -6.211 15.181 -41.771 1.00 0.44 H new ATOM 0 HA SER A 91 -6.730 13.496 -44.156 1.00 0.48 H new ATOM 0 HB2 SER A 91 -6.181 16.481 -43.944 1.00 0.56 H new ATOM 0 HB3 SER A 91 -6.510 15.592 -45.417 1.00 0.56 H new ATOM 0 HG SER A 91 -8.407 16.633 -44.578 1.00 1.27 H new ATOM 1446 N MET A 92 -4.305 13.700 -45.017 1.00 0.48 N ATOM 1447 CA MET A 92 -2.890 13.509 -45.280 1.00 0.48 C ATOM 1448 C MET A 92 -2.529 14.016 -46.668 1.00 0.53 C ATOM 1449 O MET A 92 -3.270 13.812 -47.629 1.00 0.62 O ATOM 1450 CB MET A 92 -2.490 12.031 -45.131 1.00 0.52 C ATOM 1451 CG MET A 92 -3.106 11.095 -46.167 1.00 0.61 C ATOM 1452 SD MET A 92 -4.886 10.866 -45.962 1.00 0.64 S ATOM 1453 CE MET A 92 -4.943 10.057 -44.363 1.00 0.64 C ATOM 0 H MET A 92 -4.921 13.429 -45.783 1.00 0.48 H new ATOM 0 HA MET A 92 -2.334 14.086 -44.541 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.404 11.955 -45.193 1.00 0.52 H new ATOM 0 HB3 MET A 92 -2.778 11.690 -44.137 1.00 0.52 H new ATOM 0 HG2 MET A 92 -2.911 11.490 -47.164 1.00 0.61 H new ATOM 0 HG3 MET A 92 -2.613 10.125 -46.107 1.00 0.61 H new ATOM 0 HE1 MET A 92 -5.881 9.510 -44.265 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.107 9.363 -44.276 1.00 0.64 H new ATOM 0 HE3 MET A 92 -4.876 10.806 -43.574 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.401 14.696 -46.759 1.00 0.52 N ATOM 1464 CA LYS A 93 -0.891 15.169 -48.032 1.00 0.59 C ATOM 1465 C LYS A 93 0.250 14.253 -48.462 1.00 0.49 C ATOM 1466 O LYS A 93 1.327 14.279 -47.875 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.403 16.616 -47.890 1.00 0.70 C ATOM 1468 CG LYS A 93 -0.260 17.361 -49.207 1.00 1.14 C ATOM 1469 CD LYS A 93 -1.600 17.555 -49.916 1.00 1.44 C ATOM 1470 CE LYS A 93 -2.564 18.449 -49.132 1.00 1.93 C ATOM 1471 NZ LYS A 93 -3.229 17.732 -48.007 1.00 2.23 N ATOM 0 H LYS A 93 -0.816 14.935 -45.958 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.676 15.151 -48.788 1.00 0.59 H new ATOM 0 HB2 LYS A 93 -1.099 17.161 -47.252 1.00 0.70 H new ATOM 0 HB3 LYS A 93 0.561 16.614 -47.381 1.00 0.70 H new ATOM 0 HG2 LYS A 93 0.195 18.334 -49.023 1.00 1.14 H new ATOM 0 HG3 LYS A 93 0.417 16.811 -49.860 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -1.425 17.992 -50.899 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -2.064 16.582 -50.077 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -2.019 19.307 -48.739 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -3.324 18.838 -49.809 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -4.247 17.945 -48.013 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -3.089 16.707 -48.117 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -2.816 18.043 -47.105 1.00 2.23 H new ATOM 1485 N CYS A 94 0.010 13.451 -49.484 1.00 0.56 N ATOM 1486 CA CYS A 94 0.935 12.384 -49.847 1.00 0.54 C ATOM 1487 C CYS A 94 2.011 12.870 -50.811 1.00 0.52 C ATOM 1488 O CYS A 94 1.704 13.478 -51.838 1.00 0.64 O ATOM 1489 CB CYS A 94 0.159 11.227 -50.475 1.00 0.73 C ATOM 1490 SG CYS A 94 -1.287 10.710 -49.518 1.00 1.38 S ATOM 0 H CYS A 94 -0.816 13.515 -50.079 1.00 0.56 H new ATOM 0 HA CYS A 94 1.434 12.048 -48.938 1.00 0.54 H new ATOM 0 HB2 CYS A 94 -0.164 11.519 -51.474 1.00 0.73 H new ATOM 0 HB3 CYS A 94 0.828 10.375 -50.593 1.00 0.73 H new ATOM 0 HG CYS A 94 -1.157 9.463 -49.175 1.00 1.38 H new ATOM 1496 N HIS A 95 3.268 12.616 -50.464 1.00 0.44 N ATOM 1497 CA HIS A 95 4.392 12.916 -51.345 1.00 0.50 C ATOM 1498 C HIS A 95 5.521 11.915 -51.136 1.00 0.44 C ATOM 1499 O HIS A 95 5.579 11.225 -50.118 1.00 0.44 O ATOM 1500 CB HIS A 95 4.927 14.336 -51.120 1.00 0.62 C ATOM 1501 CG HIS A 95 4.073 15.422 -51.702 1.00 0.95 C ATOM 1502 ND1 HIS A 95 3.820 15.545 -53.050 1.00 1.36 N ATOM 1503 CD2 HIS A 95 3.425 16.449 -51.108 1.00 1.84 C ATOM 1504 CE1 HIS A 95 3.058 16.600 -53.257 1.00 1.65 C ATOM 1505 NE2 HIS A 95 2.801 17.172 -52.096 1.00 1.98 N ATOM 0 H HIS A 95 3.536 12.200 -49.572 1.00 0.44 H new ATOM 0 HA HIS A 95 4.023 12.843 -52.368 1.00 0.50 H new ATOM 0 HB2 HIS A 95 5.029 14.507 -50.048 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.926 14.407 -51.551 1.00 0.62 H new ATOM 0 HD1 HIS A 95 4.168 14.918 -53.775 1.00 1.36 H new ATOM 0 HD2 HIS A 95 3.402 16.662 -50.050 1.00 1.84 H new ATOM 0 HE1 HIS A 95 2.702 16.940 -54.218 1.00 1.65 H new ATOM 1514 N THR A 96 6.404 11.834 -52.113 1.00 0.46 N ATOM 1515 CA THR A 96 7.575 10.982 -52.026 1.00 0.49 C ATOM 1516 C THR A 96 8.841 11.820 -51.856 1.00 0.46 C ATOM 1517 O THR A 96 8.848 13.013 -52.174 1.00 0.47 O ATOM 1518 CB THR A 96 7.709 10.106 -53.283 1.00 0.58 C ATOM 1519 OG1 THR A 96 7.586 10.911 -54.467 1.00 0.76 O ATOM 1520 CG2 THR A 96 6.655 9.018 -53.292 1.00 0.65 C ATOM 0 H THR A 96 6.331 12.355 -52.987 1.00 0.46 H new ATOM 0 HA THR A 96 7.451 10.338 -51.155 1.00 0.49 H new ATOM 0 HB THR A 96 8.694 9.639 -53.269 1.00 0.58 H new ATOM 0 HG1 THR A 96 6.661 11.223 -54.556 1.00 0.76 H new ATOM 0 HG21 THR A 96 6.768 8.410 -54.190 1.00 0.65 H new ATOM 0 HG22 THR A 96 6.774 8.389 -52.410 1.00 0.65 H new ATOM 0 HG23 THR A 96 5.664 9.472 -53.283 1.00 0.65 H new ATOM 1528 N PRO A 97 9.928 11.211 -51.345 1.00 0.47 N ATOM 1529 CA PRO A 97 11.219 11.891 -51.199 1.00 0.48 C ATOM 1530 C PRO A 97 11.752 12.391 -52.539 1.00 0.52 C ATOM 1531 O PRO A 97 12.502 13.362 -52.595 1.00 0.54 O ATOM 1532 CB PRO A 97 12.147 10.817 -50.615 1.00 0.53 C ATOM 1533 CG PRO A 97 11.453 9.521 -50.858 1.00 0.72 C ATOM 1534 CD PRO A 97 9.983 9.826 -50.850 1.00 0.51 C ATOM 0 HA PRO A 97 11.141 12.776 -50.567 1.00 0.48 H new ATOM 0 HB2 PRO A 97 13.124 10.836 -51.098 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.315 10.979 -49.550 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.756 9.090 -51.812 1.00 0.72 H new ATOM 0 HG3 PRO A 97 11.704 8.794 -50.086 1.00 0.72 H new ATOM 0 HD2 PRO A 97 9.426 9.145 -51.494 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.558 9.738 -49.850 1.00 0.51 H new ATOM 1542 N LEU A 98 11.341 11.726 -53.615 1.00 0.60 N ATOM 1543 CA LEU A 98 11.717 12.133 -54.962 1.00 0.71 C ATOM 1544 C LEU A 98 11.160 13.518 -55.261 1.00 0.66 C ATOM 1545 O LEU A 98 11.885 14.408 -55.700 1.00 0.71 O ATOM 1546 CB LEU A 98 11.208 11.129 -56.007 1.00 0.88 C ATOM 1547 CG LEU A 98 11.904 9.760 -56.022 1.00 1.34 C ATOM 1548 CD1 LEU A 98 13.414 9.926 -56.088 1.00 2.08 C ATOM 1549 CD2 LEU A 98 11.503 8.921 -54.815 1.00 1.78 C ATOM 0 H LEU A 98 10.745 10.899 -53.578 1.00 0.60 H new ATOM 0 HA LEU A 98 12.805 12.160 -55.017 1.00 0.71 H new ATOM 0 HB2 LEU A 98 10.143 10.971 -55.840 1.00 0.88 H new ATOM 0 HB3 LEU A 98 11.313 11.578 -56.994 1.00 0.88 H new ATOM 0 HG LEU A 98 11.578 9.229 -56.917 1.00 1.34 H new ATOM 0 HD11 LEU A 98 13.888 8.944 -56.098 1.00 2.08 H new ATOM 0 HD12 LEU A 98 13.681 10.467 -56.996 1.00 2.08 H new ATOM 0 HD13 LEU A 98 13.757 10.486 -55.218 1.00 2.08 H new ATOM 0 HD21 LEU A 98 12.013 7.958 -54.855 1.00 1.78 H new ATOM 0 HD22 LEU A 98 11.784 9.442 -53.900 1.00 1.78 H new ATOM 0 HD23 LEU A 98 10.425 8.761 -54.825 1.00 1.78 H new ATOM 1561 N GLU A 99 9.871 13.693 -54.998 1.00 0.65 N ATOM 1562 CA GLU A 99 9.219 14.986 -55.173 1.00 0.72 C ATOM 1563 C GLU A 99 9.872 16.031 -54.283 1.00 0.64 C ATOM 1564 O GLU A 99 10.213 17.123 -54.733 1.00 0.71 O ATOM 1565 CB GLU A 99 7.738 14.879 -54.824 1.00 0.88 C ATOM 1566 CG GLU A 99 6.969 13.909 -55.696 1.00 1.19 C ATOM 1567 CD GLU A 99 5.613 13.586 -55.117 1.00 1.91 C ATOM 1568 OE1 GLU A 99 4.691 14.417 -55.250 1.00 2.44 O ATOM 1569 OE2 GLU A 99 5.479 12.518 -54.491 1.00 2.69 O ATOM 0 H GLU A 99 9.254 12.954 -54.662 1.00 0.65 H new ATOM 0 HA GLU A 99 9.324 15.286 -56.216 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.642 14.571 -53.783 1.00 0.88 H new ATOM 0 HB3 GLU A 99 7.283 15.866 -54.908 1.00 0.88 H new ATOM 0 HG2 GLU A 99 6.847 14.335 -56.692 1.00 1.19 H new ATOM 0 HG3 GLU A 99 7.543 12.990 -55.811 1.00 1.19 H new ATOM 1576 N TYR A 100 10.063 15.670 -53.017 1.00 0.57 N ATOM 1577 CA TYR A 100 10.629 16.581 -52.031 1.00 0.63 C ATOM 1578 C TYR A 100 12.032 17.026 -52.436 1.00 0.66 C ATOM 1579 O TYR A 100 12.386 18.192 -52.273 1.00 0.76 O ATOM 1580 CB TYR A 100 10.659 15.916 -50.652 1.00 0.67 C ATOM 1581 CG TYR A 100 11.150 16.825 -49.546 1.00 0.85 C ATOM 1582 CD1 TYR A 100 10.464 17.988 -49.224 1.00 0.98 C ATOM 1583 CD2 TYR A 100 12.297 16.516 -48.823 1.00 0.96 C ATOM 1584 CE1 TYR A 100 10.904 18.818 -48.213 1.00 1.17 C ATOM 1585 CE2 TYR A 100 12.744 17.343 -47.809 1.00 1.15 C ATOM 1586 CZ TYR A 100 12.044 18.491 -47.507 1.00 1.24 C ATOM 1587 OH TYR A 100 12.481 19.316 -46.494 1.00 1.46 O ATOM 0 H TYR A 100 9.832 14.747 -52.650 1.00 0.57 H new ATOM 0 HA TYR A 100 9.995 17.466 -51.983 1.00 0.63 H new ATOM 0 HB2 TYR A 100 9.656 15.568 -50.405 1.00 0.67 H new ATOM 0 HB3 TYR A 100 11.300 15.036 -50.697 1.00 0.67 H new ATOM 0 HD1 TYR A 100 9.571 18.248 -49.774 1.00 0.98 H new ATOM 0 HD2 TYR A 100 12.847 15.616 -49.057 1.00 0.96 H new ATOM 0 HE1 TYR A 100 10.359 19.719 -47.975 1.00 1.17 H new ATOM 0 HE2 TYR A 100 13.637 17.091 -47.257 1.00 1.15 H new ATOM 0 HH TYR A 100 13.295 18.943 -46.097 1.00 1.46 H new ATOM 1597 N ASP A 101 12.814 16.104 -52.985 1.00 0.66 N ATOM 1598 CA ASP A 101 14.176 16.407 -53.416 1.00 0.78 C ATOM 1599 C ASP A 101 14.175 17.487 -54.491 1.00 0.81 C ATOM 1600 O ASP A 101 15.043 18.365 -54.510 1.00 0.93 O ATOM 1601 CB ASP A 101 14.871 15.149 -53.941 1.00 0.88 C ATOM 1602 CG ASP A 101 16.278 15.424 -54.439 1.00 1.07 C ATOM 1603 OD1 ASP A 101 17.220 15.393 -53.622 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.449 15.672 -55.651 1.00 1.14 O ATOM 0 H ASP A 101 12.528 15.138 -53.143 1.00 0.66 H new ATOM 0 HA ASP A 101 14.726 16.776 -52.550 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.910 14.402 -53.148 1.00 0.88 H new ATOM 0 HB3 ASP A 101 14.280 14.723 -54.751 1.00 0.88 H new ATOM 1609 N LYS A 102 13.185 17.433 -55.373 1.00 0.75 N ATOM 1610 CA LYS A 102 13.057 18.425 -56.429 1.00 0.84 C ATOM 1611 C LYS A 102 12.605 19.763 -55.849 1.00 0.89 C ATOM 1612 O LYS A 102 12.993 20.825 -56.340 1.00 1.05 O ATOM 1613 CB LYS A 102 12.082 17.953 -57.515 1.00 0.88 C ATOM 1614 CG LYS A 102 12.748 17.294 -58.723 1.00 1.03 C ATOM 1615 CD LYS A 102 12.880 15.779 -58.588 1.00 1.09 C ATOM 1616 CE LYS A 102 13.967 15.371 -57.607 1.00 1.86 C ATOM 1617 NZ LYS A 102 15.300 15.908 -57.983 1.00 2.66 N ATOM 0 H LYS A 102 12.461 16.714 -55.377 1.00 0.75 H new ATOM 0 HA LYS A 102 14.036 18.556 -56.891 1.00 0.84 H new ATOM 0 HB2 LYS A 102 11.380 17.246 -57.073 1.00 0.88 H new ATOM 0 HB3 LYS A 102 11.500 18.808 -57.859 1.00 0.88 H new ATOM 0 HG2 LYS A 102 12.169 17.523 -59.618 1.00 1.03 H new ATOM 0 HG3 LYS A 102 13.738 17.727 -58.864 1.00 1.03 H new ATOM 0 HD2 LYS A 102 11.927 15.363 -58.262 1.00 1.09 H new ATOM 0 HD3 LYS A 102 13.098 15.349 -59.565 1.00 1.09 H new ATOM 0 HE2 LYS A 102 13.704 15.724 -56.610 1.00 1.86 H new ATOM 0 HE3 LYS A 102 14.018 14.283 -57.557 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 16.030 15.482 -57.377 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 15.499 15.678 -58.978 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 15.306 16.940 -57.858 1.00 2.66 H new ATOM 1631 N LEU A 103 11.806 19.700 -54.789 1.00 0.83 N ATOM 1632 CA LEU A 103 11.333 20.901 -54.107 1.00 0.97 C ATOM 1633 C LEU A 103 12.497 21.663 -53.480 1.00 1.12 C ATOM 1634 O LEU A 103 12.551 22.888 -53.543 1.00 1.31 O ATOM 1635 CB LEU A 103 10.304 20.539 -53.032 1.00 0.98 C ATOM 1636 CG LEU A 103 9.058 19.810 -53.538 1.00 0.91 C ATOM 1637 CD1 LEU A 103 8.119 19.495 -52.384 1.00 1.01 C ATOM 1638 CD2 LEU A 103 8.343 20.633 -54.598 1.00 1.00 C ATOM 0 H LEU A 103 11.471 18.827 -54.382 1.00 0.83 H new ATOM 0 HA LEU A 103 10.857 21.543 -54.848 1.00 0.97 H new ATOM 0 HB2 LEU A 103 10.791 19.915 -52.282 1.00 0.98 H new ATOM 0 HB3 LEU A 103 9.990 21.454 -52.530 1.00 0.98 H new ATOM 0 HG LEU A 103 9.374 18.871 -53.993 1.00 0.91 H new ATOM 0 HD11 LEU A 103 7.238 18.976 -52.763 1.00 1.01 H new ATOM 0 HD12 LEU A 103 8.631 18.860 -51.661 1.00 1.01 H new ATOM 0 HD13 LEU A 103 7.814 20.423 -51.900 1.00 1.01 H new ATOM 0 HD21 LEU A 103 7.460 20.094 -54.943 1.00 1.00 H new ATOM 0 HD22 LEU A 103 8.041 21.590 -54.173 1.00 1.00 H new ATOM 0 HD23 LEU A 103 9.014 20.805 -55.439 1.00 1.00 H new ATOM 1650 N LYS A 104 13.429 20.931 -52.874 1.00 1.09 N ATOM 1651 CA LYS A 104 14.626 21.549 -52.299 1.00 1.27 C ATOM 1652 C LYS A 104 15.455 22.183 -53.402 1.00 1.37 C ATOM 1653 O LYS A 104 15.967 23.292 -53.264 1.00 1.56 O ATOM 1654 CB LYS A 104 15.519 20.525 -51.588 1.00 1.32 C ATOM 1655 CG LYS A 104 14.791 19.350 -50.965 1.00 1.07 C ATOM 1656 CD LYS A 104 15.772 18.354 -50.367 1.00 1.22 C ATOM 1657 CE LYS A 104 16.817 17.922 -51.388 1.00 1.45 C ATOM 1658 NZ LYS A 104 17.703 16.849 -50.864 1.00 1.84 N ATOM 0 H LYS A 104 13.382 19.918 -52.768 1.00 1.09 H new ATOM 0 HA LYS A 104 14.283 22.290 -51.577 1.00 1.27 H new ATOM 0 HB2 LYS A 104 16.246 20.142 -52.305 1.00 1.32 H new ATOM 0 HB3 LYS A 104 16.081 21.038 -50.807 1.00 1.32 H new ATOM 0 HG2 LYS A 104 14.113 19.708 -50.190 1.00 1.07 H new ATOM 0 HG3 LYS A 104 14.180 18.855 -51.720 1.00 1.07 H new ATOM 0 HD2 LYS A 104 16.267 18.801 -49.505 1.00 1.22 H new ATOM 0 HD3 LYS A 104 15.231 17.480 -50.006 1.00 1.22 H new ATOM 0 HE2 LYS A 104 16.317 17.570 -52.290 1.00 1.45 H new ATOM 0 HE3 LYS A 104 17.421 18.783 -51.674 1.00 1.45 H new ATOM 0 HZ1 LYS A 104 18.638 17.247 -50.644 1.00 1.84 H new ATOM 0 HZ2 LYS A 104 17.287 16.446 -50.000 1.00 1.84 H new ATOM 0 HZ3 LYS A 104 17.805 16.102 -51.580 1.00 1.84 H new ATOM 1672 N SER A 105 15.579 21.448 -54.496 1.00 1.32 N ATOM 1673 CA SER A 105 16.441 21.829 -55.600 1.00 1.51 C ATOM 1674 C SER A 105 15.901 23.050 -56.344 1.00 1.66 C ATOM 1675 O SER A 105 16.458 24.145 -56.242 1.00 1.77 O ATOM 1676 CB SER A 105 16.590 20.643 -56.551 1.00 1.59 C ATOM 1677 OG SER A 105 17.121 19.513 -55.874 1.00 2.05 O ATOM 0 H SER A 105 15.083 20.569 -54.642 1.00 1.32 H new ATOM 0 HA SER A 105 17.417 22.105 -55.199 1.00 1.51 H new ATOM 0 HB2 SER A 105 15.620 20.392 -56.980 1.00 1.59 H new ATOM 0 HB3 SER A 105 17.244 20.916 -57.379 1.00 1.59 H new ATOM 0 HG SER A 105 16.408 19.070 -55.368 1.00 2.05 H new ATOM 1683 N LYS A 106 14.814 22.865 -57.082 1.00 1.79 N ATOM 1684 CA LYS A 106 14.254 23.939 -57.889 1.00 2.10 C ATOM 1685 C LYS A 106 13.071 24.597 -57.192 1.00 2.28 C ATOM 1686 O LYS A 106 12.878 25.810 -57.289 1.00 2.61 O ATOM 1687 CB LYS A 106 13.820 23.411 -59.255 1.00 2.43 C ATOM 1688 CG LYS A 106 13.342 21.969 -59.233 1.00 2.59 C ATOM 1689 CD LYS A 106 12.302 21.721 -60.306 1.00 2.88 C ATOM 1690 CE LYS A 106 11.982 20.244 -60.452 1.00 3.39 C ATOM 1691 NZ LYS A 106 10.757 20.013 -61.264 1.00 4.02 N ATOM 0 H LYS A 106 14.304 21.983 -57.138 1.00 1.79 H new ATOM 0 HA LYS A 106 15.033 24.689 -58.025 1.00 2.10 H new ATOM 0 HB2 LYS A 106 13.020 24.043 -59.641 1.00 2.43 H new ATOM 0 HB3 LYS A 106 14.656 23.496 -59.949 1.00 2.43 H new ATOM 0 HG2 LYS A 106 14.189 21.300 -59.382 1.00 2.59 H new ATOM 0 HG3 LYS A 106 12.921 21.737 -58.254 1.00 2.59 H new ATOM 0 HD2 LYS A 106 11.391 22.268 -60.062 1.00 2.88 H new ATOM 0 HD3 LYS A 106 12.662 22.110 -61.258 1.00 2.88 H new ATOM 0 HE2 LYS A 106 12.826 19.735 -60.918 1.00 3.39 H new ATOM 0 HE3 LYS A 106 11.850 19.803 -59.464 1.00 3.39 H new ATOM 0 HZ1 LYS A 106 10.903 19.193 -61.887 1.00 4.02 H new ATOM 0 HZ2 LYS A 106 9.952 19.829 -60.632 1.00 4.02 H new ATOM 0 HZ3 LYS A 106 10.559 20.855 -61.841 1.00 4.02 H new ATOM 1705 N GLY A 107 12.284 23.796 -56.496 1.00 2.51 N ATOM 1706 CA GLY A 107 11.108 24.314 -55.826 1.00 2.97 C ATOM 1707 C GLY A 107 9.829 23.863 -56.496 1.00 3.39 C ATOM 1708 O GLY A 107 8.752 24.396 -56.226 1.00 3.92 O ATOM 0 H GLY A 107 12.437 22.794 -56.381 1.00 2.51 H new ATOM 0 HA2 GLY A 107 11.108 23.985 -54.787 1.00 2.97 H new ATOM 0 HA3 GLY A 107 11.147 25.403 -55.815 1.00 2.97 H new ATOM 1712 N SER A 108 9.954 22.887 -57.383 1.00 3.41 N ATOM 1713 CA SER A 108 8.816 22.330 -58.095 1.00 4.00 C ATOM 1714 C SER A 108 9.165 20.924 -58.563 1.00 4.47 C ATOM 1715 O SER A 108 8.674 20.503 -59.632 1.00 4.98 O ATOM 1716 CB SER A 108 8.453 23.203 -59.300 1.00 4.21 C ATOM 1717 OG SER A 108 8.196 24.546 -58.911 1.00 4.39 O ATOM 1718 OXT SER A 108 9.983 20.274 -57.888 1.00 4.69 O ATOM 0 H SER A 108 10.847 22.460 -57.629 1.00 3.41 H new ATOM 0 HA SER A 108 7.957 22.297 -57.425 1.00 4.00 H new ATOM 0 HB2 SER A 108 9.267 23.182 -60.024 1.00 4.21 H new ATOM 0 HB3 SER A 108 7.574 22.792 -59.797 1.00 4.21 H new ATOM 0 HG SER A 108 7.969 25.078 -59.702 1.00 4.39 H new TER 1724 SER A 108