USER MOD reduce.3.24.130724 H: found=0, std=0, add=803, rem=0, adj=20 USER MOD reduce.3.24.130724 removed 803 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 86 HIS : no HD1:sc= 0.596 K(o=1.5,f=-0.35) USER MOD Set 1.2: A 91 THR OG1 : rot -77:sc= 0.913 USER MOD Set 2.1: A 87 SER OG : rot 96:sc= -0.113 USER MOD Set 2.2: A 90 GLN :FLIP amide:sc= 0.13 F(o=-0.71,f=0.017) USER MOD Set 3.1: A 44 HIS : no HD1:sc= 0.0534 K(o=1,f=-0.41) USER MOD Set 3.2: A 84 ASN : amide:sc= 0.617 K(o=1,f=-0.13) USER MOD Set 3.3: A 93 THR OG1 : rot -74:sc= 0.368 USER MOD Set 4.1: A 46 ASN :FLIP amide:sc= -0.567 F(o=-2.1!,f=-0.68) USER MOD Set 4.2: A 78 SER OG : rot -170:sc= -0.109 USER MOD Single : A 1 MET CE :methyl 157:sc= -0.145 (180deg=-0.708) USER MOD Single : A 1 MET N :NH3+ -124:sc= 0.112 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.0035) USER MOD Single : A 4 HIS : no HD1:sc= -0.0102 X(o=-0.01,f=-0.29) USER MOD Single : A 5 HIS : no HD1:sc= -0.0105 X(o=-0.011,f=0) USER MOD Single : A 6 HIS : no HE2:sc= -0.131 K(o=-0.13,f=-2.2) USER MOD Single : A 7 HIS : no HE2:sc= -0.0502 K(o=-0.05,f=-2) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=-0.095) USER MOD Single : A 10 ASN : amide:sc= 0 X(o=0,f=-0.39) USER MOD Single : A 12 TYR OH : rot 180:sc= 0 USER MOD Single : A 14 GLN :FLIP amide:sc= -1.23 F(o=-1.9,f=-1.2) USER MOD Single : A 15 SER OG : rot -6:sc= 0.444 USER MOD Single : A 16 HIS : no HD1:sc= -0.614 K(o=-0.61,f=-3.8!) USER MOD Single : A 17 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 18 THR OG1 : rot -30:sc= -0.303 USER MOD Single : A 27 GLN : amide:sc= -0.279 X(o=-0.28,f=-0.01) USER MOD Single : A 33 HIS : no HE2:sc= -0.591 K(o=-0.59,f=-1.5) USER MOD Single : A 37 THR OG1 : rot 180:sc= -0.169 USER MOD Single : A 56 ASN :FLIP amide:sc= -0.0275 F(o=-1.9!,f=-0.028) USER MOD Single : A 58 SER OG : rot 77:sc= 0.0548 USER MOD Single : A 59 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 63 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 64 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 72 LYS NZ :NH3+ -178:sc= -0.272 (180deg=-0.411) USER MOD Single : A 79 SER OG : rot -38:sc= 0.21 USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 97 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 16.964 -30.312 2.912 1.00 3.40 N ATOM 2 CA MET A 1 16.387 -29.096 3.531 1.00 43.35 C ATOM 3 C MET A 1 17.407 -28.443 4.476 1.00 42.52 C ATOM 4 O MET A 1 18.586 -28.834 4.496 1.00 43.24 O ATOM 5 CB MET A 1 15.054 -29.415 4.269 1.00 30.53 C ATOM 6 CG MET A 1 13.918 -29.902 3.363 1.00 33.11 C ATOM 7 SD MET A 1 12.292 -29.755 4.135 1.00 64.21 S ATOM 8 CE MET A 1 12.114 -27.969 4.215 1.00 64.35 C ATOM 0 H1 MET A 1 16.916 -30.231 1.876 1.00 3.40 H new ATOM 0 H2 MET A 1 17.957 -30.413 3.205 1.00 3.40 H new ATOM 0 H3 MET A 1 16.425 -31.147 3.219 1.00 3.40 H new ATOM 0 HA MET A 1 16.154 -28.386 2.737 1.00 43.35 H new ATOM 0 HB2 MET A 1 15.247 -30.175 5.026 1.00 30.53 H new ATOM 0 HB3 MET A 1 14.722 -28.519 4.794 1.00 30.53 H new ATOM 0 HG2 MET A 1 13.928 -29.328 2.436 1.00 33.11 H new ATOM 0 HG3 MET A 1 14.095 -30.944 3.095 1.00 33.11 H new ATOM 0 HE1 MET A 1 11.057 -27.711 4.272 1.00 64.35 H new ATOM 0 HE2 MET A 1 12.628 -27.591 5.099 1.00 64.35 H new ATOM 0 HE3 MET A 1 12.549 -27.520 3.322 1.00 64.35 H new ATOM 20 N GLY A 2 16.940 -27.449 5.258 1.00 12.34 N ATOM 21 CA GLY A 2 17.786 -26.687 6.162 1.00 23.42 C ATOM 22 C GLY A 2 18.471 -25.560 5.428 1.00 0.33 C ATOM 23 O GLY A 2 17.920 -24.459 5.327 1.00 12.22 O ATOM 0 H GLY A 2 15.962 -27.161 5.271 1.00 12.34 H new ATOM 0 HA2 GLY A 2 17.185 -26.284 6.978 1.00 23.42 H new ATOM 0 HA3 GLY A 2 18.533 -27.343 6.609 1.00 23.42 H new ATOM 27 N HIS A 3 19.657 -25.849 4.872 1.00 42.33 N ATOM 28 CA HIS A 3 20.406 -24.902 4.041 1.00 22.11 C ATOM 29 C HIS A 3 19.895 -24.970 2.584 1.00 22.03 C ATOM 30 O HIS A 3 20.442 -25.691 1.747 1.00 3.44 O ATOM 31 CB HIS A 3 21.937 -25.171 4.126 1.00 53.42 C ATOM 32 CG HIS A 3 22.561 -24.801 5.448 1.00 1.14 C ATOM 33 ND1 HIS A 3 23.221 -25.698 6.263 1.00 64.25 N ATOM 34 CD2 HIS A 3 22.648 -23.602 6.076 1.00 52.41 C ATOM 35 CE1 HIS A 3 23.678 -25.068 7.326 1.00 71.04 C ATOM 36 NE2 HIS A 3 23.345 -23.798 7.236 1.00 40.13 N ATOM 0 H HIS A 3 20.123 -26.749 4.988 1.00 42.33 H new ATOM 0 HA HIS A 3 20.240 -23.892 4.417 1.00 22.11 H new ATOM 0 HB2 HIS A 3 22.119 -26.229 3.935 1.00 53.42 H new ATOM 0 HB3 HIS A 3 22.436 -24.614 3.333 1.00 53.42 H new ATOM 0 HD2 HIS A 3 22.242 -22.665 5.725 1.00 52.41 H new ATOM 0 HE1 HIS A 3 24.233 -25.518 8.136 1.00 71.04 H new ATOM 0 HE2 HIS A 3 23.570 -23.076 7.921 1.00 40.13 H new ATOM 45 N HIS A 4 18.797 -24.246 2.321 1.00 2.15 N ATOM 46 CA HIS A 4 18.179 -24.122 0.985 1.00 50.23 C ATOM 47 C HIS A 4 17.783 -22.656 0.755 1.00 52.40 C ATOM 48 O HIS A 4 17.025 -22.094 1.550 1.00 63.40 O ATOM 49 CB HIS A 4 16.928 -25.036 0.866 1.00 75.03 C ATOM 50 CG HIS A 4 16.138 -24.851 -0.414 1.00 2.23 C ATOM 51 ND1 HIS A 4 15.136 -23.907 -0.554 1.00 40.12 N ATOM 52 CD2 HIS A 4 16.214 -25.481 -1.613 1.00 74.22 C ATOM 53 CE1 HIS A 4 14.644 -23.965 -1.773 1.00 44.02 C ATOM 54 NE2 HIS A 4 15.276 -24.908 -2.432 1.00 33.13 N ATOM 0 H HIS A 4 18.302 -23.720 3.041 1.00 2.15 H new ATOM 0 HA HIS A 4 18.898 -24.437 0.229 1.00 50.23 H new ATOM 0 HB2 HIS A 4 17.245 -26.077 0.936 1.00 75.03 H new ATOM 0 HB3 HIS A 4 16.271 -24.845 1.715 1.00 75.03 H new ATOM 0 HD2 HIS A 4 16.888 -26.284 -1.874 1.00 74.22 H new ATOM 0 HE1 HIS A 4 13.854 -23.342 -2.165 1.00 44.02 H new ATOM 0 HE2 HIS A 4 15.097 -25.173 -3.401 1.00 33.13 H new ATOM 63 N HIS A 5 18.315 -22.063 -0.335 1.00 75.31 N ATOM 64 CA HIS A 5 18.039 -20.665 -0.762 1.00 41.22 C ATOM 65 C HIS A 5 18.408 -19.671 0.373 1.00 65.04 C ATOM 66 O HIS A 5 17.753 -18.641 0.578 1.00 1.01 O ATOM 67 CB HIS A 5 16.551 -20.529 -1.232 1.00 2.25 C ATOM 68 CG HIS A 5 16.256 -19.304 -2.075 1.00 74.21 C ATOM 69 ND1 HIS A 5 16.389 -19.290 -3.446 1.00 61.31 N ATOM 70 CD2 HIS A 5 15.828 -18.061 -1.743 1.00 11.23 C ATOM 71 CE1 HIS A 5 16.066 -18.105 -3.910 1.00 23.41 C ATOM 72 NE2 HIS A 5 15.717 -17.337 -2.901 1.00 24.31 N ATOM 0 H HIS A 5 18.961 -22.548 -0.958 1.00 75.31 H new ATOM 0 HA HIS A 5 18.666 -20.411 -1.617 1.00 41.22 H new ATOM 0 HB2 HIS A 5 16.283 -21.418 -1.803 1.00 2.25 H new ATOM 0 HB3 HIS A 5 15.908 -20.510 -0.352 1.00 2.25 H new ATOM 0 HD2 HIS A 5 15.613 -17.706 -0.746 1.00 11.23 H new ATOM 0 HE1 HIS A 5 16.084 -17.810 -4.949 1.00 23.41 H new ATOM 0 HE2 HIS A 5 15.414 -16.365 -2.969 1.00 24.31 H new ATOM 81 N HIS A 6 19.494 -20.006 1.100 1.00 70.21 N ATOM 82 CA HIS A 6 19.967 -19.219 2.243 1.00 40.54 C ATOM 83 C HIS A 6 20.525 -17.862 1.777 1.00 53.42 C ATOM 84 O HIS A 6 21.647 -17.780 1.269 1.00 24.32 O ATOM 85 CB HIS A 6 21.017 -20.009 3.097 1.00 20.32 C ATOM 86 CG HIS A 6 22.123 -20.699 2.326 1.00 40.52 C ATOM 87 ND1 HIS A 6 23.126 -20.028 1.656 1.00 31.02 N ATOM 88 CD2 HIS A 6 22.367 -22.015 2.118 1.00 32.41 C ATOM 89 CE1 HIS A 6 23.925 -20.895 1.073 1.00 53.31 C ATOM 90 NE2 HIS A 6 23.487 -22.106 1.340 1.00 5.33 N ATOM 0 H HIS A 6 20.063 -20.830 0.906 1.00 70.21 H new ATOM 0 HA HIS A 6 19.112 -19.027 2.891 1.00 40.54 H new ATOM 0 HB2 HIS A 6 21.473 -19.317 3.805 1.00 20.32 H new ATOM 0 HB3 HIS A 6 20.487 -20.760 3.682 1.00 20.32 H new ATOM 0 HD1 HIS A 6 23.232 -19.014 1.619 1.00 31.02 H new ATOM 0 HD2 HIS A 6 21.784 -22.841 2.497 1.00 32.41 H new ATOM 0 HE1 HIS A 6 24.793 -20.654 0.477 1.00 53.31 H new ATOM 99 N HIS A 7 19.692 -16.806 1.881 1.00 20.34 N ATOM 100 CA HIS A 7 20.160 -15.422 1.764 1.00 72.21 C ATOM 101 C HIS A 7 21.158 -15.166 2.910 1.00 70.42 C ATOM 102 O HIS A 7 20.765 -14.921 4.056 1.00 24.23 O ATOM 103 CB HIS A 7 18.976 -14.407 1.792 1.00 24.32 C ATOM 104 CG HIS A 7 19.424 -12.965 1.946 1.00 65.10 C ATOM 105 ND1 HIS A 7 20.034 -12.258 0.937 1.00 53.10 N ATOM 106 CD2 HIS A 7 19.438 -12.144 3.026 1.00 53.32 C ATOM 107 CE1 HIS A 7 20.413 -11.080 1.391 1.00 75.51 C ATOM 108 NE2 HIS A 7 20.062 -10.993 2.652 1.00 73.03 N ATOM 0 H HIS A 7 18.689 -16.893 2.046 1.00 20.34 H new ATOM 0 HA HIS A 7 20.652 -15.276 0.802 1.00 72.21 H new ATOM 0 HB2 HIS A 7 18.401 -14.505 0.871 1.00 24.32 H new ATOM 0 HB3 HIS A 7 18.307 -14.662 2.614 1.00 24.32 H new ATOM 0 HD1 HIS A 7 20.172 -12.593 -0.016 1.00 53.10 H new ATOM 0 HD2 HIS A 7 19.030 -12.363 4.002 1.00 53.32 H new ATOM 0 HE1 HIS A 7 20.925 -10.317 0.823 1.00 75.51 H new ATOM 117 N HIS A 8 22.442 -15.312 2.590 1.00 54.04 N ATOM 118 CA HIS A 8 23.537 -15.230 3.556 1.00 11.11 C ATOM 119 C HIS A 8 24.600 -14.275 3.012 1.00 23.42 C ATOM 120 O HIS A 8 25.601 -14.713 2.434 1.00 25.25 O ATOM 121 CB HIS A 8 24.105 -16.651 3.844 1.00 2.34 C ATOM 122 CG HIS A 8 25.175 -16.694 4.916 1.00 14.42 C ATOM 123 ND1 HIS A 8 26.521 -16.532 4.651 1.00 32.35 N ATOM 124 CD2 HIS A 8 25.092 -16.889 6.256 1.00 54.31 C ATOM 125 CE1 HIS A 8 27.208 -16.632 5.769 1.00 4.33 C ATOM 126 NE2 HIS A 8 26.368 -16.846 6.754 1.00 50.50 N ATOM 0 H HIS A 8 22.757 -15.494 1.637 1.00 54.04 H new ATOM 0 HA HIS A 8 23.181 -14.836 4.508 1.00 11.11 H new ATOM 0 HB2 HIS A 8 23.284 -17.303 4.141 1.00 2.34 H new ATOM 0 HB3 HIS A 8 24.517 -17.058 2.921 1.00 2.34 H new ATOM 0 HD2 HIS A 8 24.188 -17.049 6.825 1.00 54.31 H new ATOM 0 HE1 HIS A 8 28.281 -16.552 5.860 1.00 4.33 H new ATOM 0 HE2 HIS A 8 26.624 -16.962 7.735 1.00 50.50 H new ATOM 135 N GLU A 9 24.272 -12.968 3.121 1.00 40.42 N ATOM 136 CA GLU A 9 25.174 -11.811 2.879 1.00 74.44 C ATOM 137 C GLU A 9 25.700 -11.770 1.418 1.00 44.51 C ATOM 138 O GLU A 9 25.273 -10.927 0.620 1.00 70.14 O ATOM 139 CB GLU A 9 26.338 -11.797 3.924 1.00 12.54 C ATOM 140 CG GLU A 9 25.881 -12.039 5.385 1.00 2.33 C ATOM 141 CD GLU A 9 27.033 -12.062 6.409 1.00 71.32 C ATOM 142 OE1 GLU A 9 27.930 -12.921 6.286 1.00 32.41 O ATOM 143 OE2 GLU A 9 27.034 -11.236 7.352 1.00 3.34 O ATOM 0 H GLU A 9 23.333 -12.674 3.391 1.00 40.42 H new ATOM 0 HA GLU A 9 24.590 -10.900 3.014 1.00 74.44 H new ATOM 0 HB2 GLU A 9 27.066 -12.561 3.651 1.00 12.54 H new ATOM 0 HB3 GLU A 9 26.849 -10.836 3.869 1.00 12.54 H new ATOM 0 HG2 GLU A 9 25.174 -11.259 5.667 1.00 2.33 H new ATOM 0 HG3 GLU A 9 25.346 -12.987 5.435 1.00 2.33 H new ATOM 150 N ASN A 10 26.623 -12.707 1.097 1.00 11.32 N ATOM 151 CA ASN A 10 27.178 -12.917 -0.260 1.00 21.01 C ATOM 152 C ASN A 10 26.069 -13.154 -1.299 1.00 54.42 C ATOM 153 O ASN A 10 26.167 -12.674 -2.428 1.00 54.13 O ATOM 154 CB ASN A 10 28.175 -14.111 -0.261 1.00 43.30 C ATOM 155 CG ASN A 10 29.385 -13.906 0.648 1.00 72.45 C ATOM 156 OD1 ASN A 10 29.826 -12.781 0.892 1.00 12.41 O ATOM 157 ND2 ASN A 10 29.943 -15.001 1.154 1.00 45.04 N ATOM 0 H ASN A 10 27.010 -13.350 1.788 1.00 11.32 H new ATOM 0 HA ASN A 10 27.709 -12.007 -0.540 1.00 21.01 H new ATOM 0 HB2 ASN A 10 27.647 -15.013 0.050 1.00 43.30 H new ATOM 0 HB3 ASN A 10 28.523 -14.281 -1.280 1.00 43.30 H new ATOM 0 HD21 ASN A 10 30.758 -14.924 1.762 1.00 45.04 H new ATOM 0 HD22 ASN A 10 29.556 -15.919 0.934 1.00 45.04 H new ATOM 164 N LEU A 11 25.020 -13.908 -0.919 1.00 73.20 N ATOM 165 CA LEU A 11 23.834 -14.086 -1.777 1.00 71.11 C ATOM 166 C LEU A 11 22.933 -12.852 -1.636 1.00 4.14 C ATOM 167 O LEU A 11 22.098 -12.783 -0.736 1.00 5.32 O ATOM 168 CB LEU A 11 23.058 -15.400 -1.438 1.00 11.32 C ATOM 169 CG LEU A 11 21.831 -15.738 -2.368 1.00 23.12 C ATOM 170 CD1 LEU A 11 22.244 -15.814 -3.856 1.00 13.42 C ATOM 171 CD2 LEU A 11 21.123 -17.040 -1.920 1.00 42.30 C ATOM 0 H LEU A 11 24.970 -14.401 -0.028 1.00 73.20 H new ATOM 0 HA LEU A 11 24.159 -14.184 -2.813 1.00 71.11 H new ATOM 0 HB2 LEU A 11 23.759 -16.233 -1.479 1.00 11.32 H new ATOM 0 HB3 LEU A 11 22.702 -15.333 -0.410 1.00 11.32 H new ATOM 0 HG LEU A 11 21.118 -14.919 -2.267 1.00 23.12 H new ATOM 0 HD11 LEU A 11 21.371 -16.049 -4.464 1.00 13.42 H new ATOM 0 HD12 LEU A 11 22.657 -14.855 -4.169 1.00 13.42 H new ATOM 0 HD13 LEU A 11 22.996 -16.592 -3.986 1.00 13.42 H new ATOM 0 HD21 LEU A 11 20.282 -17.243 -2.583 1.00 42.30 H new ATOM 0 HD22 LEU A 11 21.828 -17.871 -1.963 1.00 42.30 H new ATOM 0 HD23 LEU A 11 20.760 -16.924 -0.899 1.00 42.30 H new ATOM 183 N TYR A 12 23.186 -11.849 -2.485 1.00 15.04 N ATOM 184 CA TYR A 12 22.368 -10.622 -2.578 1.00 62.33 C ATOM 185 C TYR A 12 21.840 -10.466 -4.018 1.00 23.10 C ATOM 186 O TYR A 12 21.520 -9.348 -4.442 1.00 43.33 O ATOM 187 CB TYR A 12 23.195 -9.376 -2.112 1.00 0.01 C ATOM 188 CG TYR A 12 24.373 -8.959 -3.018 1.00 52.33 C ATOM 189 CD1 TYR A 12 25.598 -9.628 -2.971 1.00 2.35 C ATOM 190 CD2 TYR A 12 24.264 -7.881 -3.913 1.00 53.25 C ATOM 191 CE1 TYR A 12 26.655 -9.253 -3.783 1.00 62.12 C ATOM 192 CE2 TYR A 12 25.320 -7.509 -4.721 1.00 52.24 C ATOM 193 CZ TYR A 12 26.510 -8.194 -4.651 1.00 53.02 C ATOM 194 OH TYR A 12 27.564 -7.823 -5.467 1.00 41.23 O ATOM 0 H TYR A 12 23.971 -11.861 -3.136 1.00 15.04 H new ATOM 0 HA TYR A 12 21.509 -10.699 -1.911 1.00 62.33 H new ATOM 0 HB2 TYR A 12 22.516 -8.528 -2.023 1.00 0.01 H new ATOM 0 HB3 TYR A 12 23.585 -9.578 -1.115 1.00 0.01 H new ATOM 0 HD1 TYR A 12 25.723 -10.455 -2.287 1.00 2.35 H new ATOM 0 HD2 TYR A 12 23.335 -7.332 -3.970 1.00 53.25 H new ATOM 0 HE1 TYR A 12 27.591 -9.790 -3.736 1.00 62.12 H new ATOM 0 HE2 TYR A 12 25.211 -6.682 -5.407 1.00 52.24 H new ATOM 0 HH TYR A 12 27.297 -7.059 -6.020 1.00 41.23 H new ATOM 204 N PHE A 13 21.716 -11.624 -4.735 1.00 30.24 N ATOM 205 CA PHE A 13 21.235 -11.701 -6.143 1.00 63.34 C ATOM 206 C PHE A 13 19.979 -10.846 -6.355 1.00 14.04 C ATOM 207 O PHE A 13 19.897 -10.064 -7.309 1.00 64.31 O ATOM 208 CB PHE A 13 20.946 -13.176 -6.555 1.00 53.22 C ATOM 209 CG PHE A 13 20.371 -13.328 -7.975 1.00 3.13 C ATOM 210 CD1 PHE A 13 21.146 -13.017 -9.095 1.00 51.13 C ATOM 211 CD2 PHE A 13 19.047 -13.746 -8.188 1.00 34.55 C ATOM 212 CE1 PHE A 13 20.622 -13.118 -10.373 1.00 45.31 C ATOM 213 CE2 PHE A 13 18.527 -13.839 -9.468 1.00 61.24 C ATOM 214 CZ PHE A 13 19.316 -13.530 -10.559 1.00 4.41 C ATOM 0 H PHE A 13 21.951 -12.536 -4.344 1.00 30.24 H new ATOM 0 HA PHE A 13 22.030 -11.307 -6.776 1.00 63.34 H new ATOM 0 HB2 PHE A 13 21.870 -13.750 -6.485 1.00 53.22 H new ATOM 0 HB3 PHE A 13 20.246 -13.611 -5.842 1.00 53.22 H new ATOM 0 HD1 PHE A 13 22.168 -12.693 -8.962 1.00 51.13 H new ATOM 0 HD2 PHE A 13 18.426 -13.998 -7.341 1.00 34.55 H new ATOM 0 HE1 PHE A 13 21.236 -12.874 -11.227 1.00 45.31 H new ATOM 0 HE2 PHE A 13 17.504 -14.153 -9.613 1.00 61.24 H new ATOM 0 HZ PHE A 13 18.912 -13.610 -11.557 1.00 4.41 H new ATOM 224 N GLN A 14 19.007 -11.019 -5.451 1.00 42.31 N ATOM 225 CA GLN A 14 17.823 -10.174 -5.398 1.00 44.23 C ATOM 226 C GLN A 14 18.063 -9.080 -4.343 1.00 30.41 C ATOM 227 O GLN A 14 17.762 -9.264 -3.152 1.00 43.23 O ATOM 228 CB GLN A 14 16.551 -11.013 -5.102 1.00 32.45 C ATOM 229 CG GLN A 14 15.241 -10.315 -5.513 1.00 41.50 C ATOM 230 CD GLN A 14 15.132 -10.075 -7.020 1.00 12.41 C ATOM 231 OE1 GLN A 14 15.550 -8.905 -7.484 1.00 43.22 O flip ATOM 232 NE2 GLN A 14 14.647 -10.930 -7.759 1.00 11.24 N flip ATOM 0 H GLN A 14 19.025 -11.750 -4.740 1.00 42.31 H new ATOM 0 HA GLN A 14 17.650 -9.702 -6.365 1.00 44.23 H new ATOM 0 HB2 GLN A 14 16.625 -11.966 -5.626 1.00 32.45 H new ATOM 0 HB3 GLN A 14 16.514 -11.237 -4.036 1.00 32.45 H new ATOM 0 HG2 GLN A 14 14.396 -10.921 -5.186 1.00 41.50 H new ATOM 0 HG3 GLN A 14 15.168 -9.360 -4.993 1.00 41.50 H new ATOM 0 HE21 GLN A 14 14.334 -11.821 -7.372 1.00 11.24 H new ATOM 0 HE22 GLN A 14 14.557 -10.749 -8.759 1.00 11.24 H new ATOM 241 N SER A 15 18.695 -7.986 -4.798 1.00 70.23 N ATOM 242 CA SER A 15 19.064 -6.843 -3.964 1.00 61.31 C ATOM 243 C SER A 15 17.807 -6.148 -3.406 1.00 44.43 C ATOM 244 O SER A 15 17.163 -5.349 -4.100 1.00 42.34 O ATOM 245 CB SER A 15 19.933 -5.858 -4.784 1.00 34.41 C ATOM 246 OG SER A 15 21.096 -6.498 -5.295 1.00 43.34 O ATOM 0 H SER A 15 18.966 -7.874 -5.775 1.00 70.23 H new ATOM 0 HA SER A 15 19.648 -7.195 -3.114 1.00 61.31 H new ATOM 0 HB2 SER A 15 19.347 -5.452 -5.608 1.00 34.41 H new ATOM 0 HB3 SER A 15 20.225 -5.017 -4.155 1.00 34.41 H new ATOM 0 HG SER A 15 21.148 -7.412 -4.944 1.00 43.34 H new ATOM 252 N HIS A 16 17.438 -6.507 -2.160 1.00 63.11 N ATOM 253 CA HIS A 16 16.316 -5.885 -1.436 1.00 10.42 C ATOM 254 C HIS A 16 16.765 -4.543 -0.857 1.00 10.32 C ATOM 255 O HIS A 16 17.097 -4.434 0.330 1.00 1.11 O ATOM 256 CB HIS A 16 15.761 -6.822 -0.326 1.00 30.34 C ATOM 257 CG HIS A 16 15.039 -8.037 -0.829 1.00 54.24 C ATOM 258 ND1 HIS A 16 14.952 -9.206 -0.109 1.00 5.55 N ATOM 259 CD2 HIS A 16 14.335 -8.254 -1.964 1.00 14.14 C ATOM 260 CE1 HIS A 16 14.228 -10.072 -0.770 1.00 64.14 C ATOM 261 NE2 HIS A 16 13.839 -9.520 -1.897 1.00 62.45 N ATOM 0 H HIS A 16 17.912 -7.238 -1.629 1.00 63.11 H new ATOM 0 HA HIS A 16 15.500 -5.713 -2.138 1.00 10.42 H new ATOM 0 HB2 HIS A 16 16.589 -7.144 0.305 1.00 30.34 H new ATOM 0 HB3 HIS A 16 15.082 -6.250 0.307 1.00 30.34 H new ATOM 0 HD2 HIS A 16 14.193 -7.553 -2.773 1.00 14.14 H new ATOM 0 HE1 HIS A 16 13.990 -11.074 -0.444 1.00 64.14 H new ATOM 0 HE2 HIS A 16 13.259 -9.968 -2.607 1.00 62.45 H new ATOM 270 N MET A 17 16.802 -3.534 -1.733 1.00 63.14 N ATOM 271 CA MET A 17 17.097 -2.147 -1.358 1.00 4.31 C ATOM 272 C MET A 17 15.939 -1.621 -0.492 1.00 32.14 C ATOM 273 O MET A 17 16.172 -1.055 0.578 1.00 74.31 O ATOM 274 CB MET A 17 17.324 -1.303 -2.645 1.00 62.23 C ATOM 275 CG MET A 17 18.469 -1.833 -3.524 1.00 60.21 C ATOM 276 SD MET A 17 18.818 -0.791 -4.956 1.00 74.22 S ATOM 277 CE MET A 17 20.232 -1.651 -5.659 1.00 10.33 C ATOM 0 H MET A 17 16.627 -3.658 -2.730 1.00 63.14 H new ATOM 0 HA MET A 17 18.012 -2.078 -0.769 1.00 4.31 H new ATOM 0 HB2 MET A 17 16.404 -1.288 -3.229 1.00 62.23 H new ATOM 0 HB3 MET A 17 17.539 -0.272 -2.362 1.00 62.23 H new ATOM 0 HG2 MET A 17 19.371 -1.919 -2.919 1.00 60.21 H new ATOM 0 HG3 MET A 17 18.218 -2.837 -3.867 1.00 60.21 H new ATOM 0 HE1 MET A 17 20.567 -1.128 -6.555 1.00 10.33 H new ATOM 0 HE2 MET A 17 21.042 -1.677 -4.930 1.00 10.33 H new ATOM 0 HE3 MET A 17 19.946 -2.670 -5.919 1.00 10.33 H new ATOM 287 N THR A 18 14.701 -1.848 -0.996 1.00 53.11 N ATOM 288 CA THR A 18 13.430 -1.829 -0.229 1.00 25.02 C ATOM 289 C THR A 18 13.024 -0.417 0.288 1.00 0.11 C ATOM 290 O THR A 18 12.045 0.166 -0.189 1.00 31.14 O ATOM 291 CB THR A 18 13.448 -2.874 0.947 1.00 73.31 C ATOM 292 OG1 THR A 18 13.926 -4.149 0.475 1.00 51.31 O ATOM 293 CG2 THR A 18 12.057 -3.074 1.562 1.00 43.23 C ATOM 0 H THR A 18 14.555 -2.057 -1.984 1.00 53.11 H new ATOM 0 HA THR A 18 12.660 -2.120 -0.943 1.00 25.02 H new ATOM 0 HB THR A 18 14.114 -2.476 1.712 1.00 73.31 H new ATOM 0 HG1 THR A 18 13.688 -4.258 -0.469 1.00 51.31 H new ATOM 0 HG21 THR A 18 12.118 -3.804 2.370 1.00 43.23 H new ATOM 0 HG22 THR A 18 11.694 -2.125 1.957 1.00 43.23 H new ATOM 0 HG23 THR A 18 11.370 -3.436 0.797 1.00 43.23 H new ATOM 301 N ASP A 19 13.801 0.093 1.261 1.00 12.22 N ATOM 302 CA ASP A 19 13.583 1.379 1.963 1.00 74.33 C ATOM 303 C ASP A 19 13.235 2.554 1.010 1.00 1.35 C ATOM 304 O ASP A 19 12.356 3.373 1.313 1.00 12.22 O ATOM 305 CB ASP A 19 14.874 1.693 2.771 1.00 12.44 C ATOM 306 CG ASP A 19 14.814 3.008 3.569 1.00 63.32 C ATOM 307 OD1 ASP A 19 14.198 3.022 4.657 1.00 71.32 O ATOM 308 OD2 ASP A 19 15.394 4.025 3.129 1.00 13.43 O ATOM 0 H ASP A 19 14.631 -0.396 1.596 1.00 12.22 H new ATOM 0 HA ASP A 19 12.717 1.275 2.616 1.00 74.33 H new ATOM 0 HB2 ASP A 19 15.067 0.871 3.460 1.00 12.44 H new ATOM 0 HB3 ASP A 19 15.718 1.737 2.083 1.00 12.44 H new ATOM 313 N GLU A 20 13.919 2.603 -0.149 1.00 72.24 N ATOM 314 CA GLU A 20 13.740 3.685 -1.146 1.00 62.12 C ATOM 315 C GLU A 20 12.473 3.485 -2.021 1.00 52.24 C ATOM 316 O GLU A 20 11.787 4.460 -2.342 1.00 61.13 O ATOM 317 CB GLU A 20 15.037 3.894 -2.019 1.00 44.45 C ATOM 318 CG GLU A 20 15.854 2.628 -2.382 1.00 44.10 C ATOM 319 CD GLU A 20 15.082 1.586 -3.215 1.00 24.41 C ATOM 320 OE1 GLU A 20 14.974 1.755 -4.446 1.00 71.23 O ATOM 321 OE2 GLU A 20 14.577 0.603 -2.637 1.00 61.22 O ATOM 0 H GLU A 20 14.607 1.901 -0.423 1.00 72.24 H new ATOM 0 HA GLU A 20 13.579 4.605 -0.583 1.00 62.12 H new ATOM 0 HB2 GLU A 20 14.745 4.386 -2.947 1.00 44.45 H new ATOM 0 HB3 GLU A 20 15.696 4.581 -1.488 1.00 44.45 H new ATOM 0 HG2 GLU A 20 16.743 2.931 -2.936 1.00 44.10 H new ATOM 0 HG3 GLU A 20 16.197 2.156 -1.461 1.00 44.10 H new ATOM 328 N LEU A 21 12.149 2.223 -2.386 1.00 62.44 N ATOM 329 CA LEU A 21 11.020 1.912 -3.302 1.00 12.42 C ATOM 330 C LEU A 21 9.668 1.963 -2.574 1.00 61.51 C ATOM 331 O LEU A 21 8.610 2.062 -3.214 1.00 13.12 O ATOM 332 CB LEU A 21 11.258 0.555 -4.046 1.00 21.15 C ATOM 333 CG LEU A 21 11.402 -0.776 -3.206 1.00 22.43 C ATOM 334 CD1 LEU A 21 10.037 -1.349 -2.737 1.00 24.20 C ATOM 335 CD2 LEU A 21 12.211 -1.847 -3.987 1.00 2.35 C ATOM 0 H LEU A 21 12.654 1.399 -2.060 1.00 62.44 H new ATOM 0 HA LEU A 21 10.981 2.688 -4.066 1.00 12.42 H new ATOM 0 HB2 LEU A 21 10.431 0.414 -4.742 1.00 21.15 H new ATOM 0 HB3 LEU A 21 12.163 0.664 -4.644 1.00 21.15 H new ATOM 0 HG LEU A 21 11.955 -0.510 -2.305 1.00 22.43 H new ATOM 0 HD11 LEU A 21 10.203 -2.262 -2.166 1.00 24.20 H new ATOM 0 HD12 LEU A 21 9.531 -0.615 -2.110 1.00 24.20 H new ATOM 0 HD13 LEU A 21 9.418 -1.572 -3.606 1.00 24.20 H new ATOM 0 HD21 LEU A 21 12.294 -2.751 -3.384 1.00 2.35 H new ATOM 0 HD22 LEU A 21 11.700 -2.079 -4.921 1.00 2.35 H new ATOM 0 HD23 LEU A 21 13.208 -1.463 -4.204 1.00 2.35 H new ATOM 347 N LEU A 22 9.730 1.893 -1.229 1.00 1.34 N ATOM 348 CA LEU A 22 8.563 2.068 -0.351 1.00 54.51 C ATOM 349 C LEU A 22 8.012 3.504 -0.433 1.00 14.32 C ATOM 350 O LEU A 22 6.814 3.715 -0.231 1.00 33.00 O ATOM 351 CB LEU A 22 8.925 1.710 1.118 1.00 30.43 C ATOM 352 CG LEU A 22 9.225 0.206 1.403 1.00 41.41 C ATOM 353 CD1 LEU A 22 9.684 0.008 2.859 1.00 11.33 C ATOM 354 CD2 LEU A 22 8.006 -0.689 1.062 1.00 20.21 C ATOM 0 H LEU A 22 10.597 1.713 -0.722 1.00 1.34 H new ATOM 0 HA LEU A 22 7.783 1.388 -0.695 1.00 54.51 H new ATOM 0 HB2 LEU A 22 9.797 2.295 1.409 1.00 30.43 H new ATOM 0 HB3 LEU A 22 8.102 2.024 1.760 1.00 30.43 H new ATOM 0 HG LEU A 22 10.042 -0.104 0.751 1.00 41.41 H new ATOM 0 HD11 LEU A 22 9.888 -1.048 3.036 1.00 11.33 H new ATOM 0 HD12 LEU A 22 10.590 0.587 3.037 1.00 11.33 H new ATOM 0 HD13 LEU A 22 8.900 0.345 3.537 1.00 11.33 H new ATOM 0 HD21 LEU A 22 8.249 -1.731 1.272 1.00 20.21 H new ATOM 0 HD22 LEU A 22 7.152 -0.386 1.668 1.00 20.21 H new ATOM 0 HD23 LEU A 22 7.759 -0.580 0.006 1.00 20.21 H new ATOM 366 N GLU A 23 8.903 4.476 -0.751 1.00 63.51 N ATOM 367 CA GLU A 23 8.537 5.899 -0.907 1.00 42.04 C ATOM 368 C GLU A 23 7.452 6.080 -1.985 1.00 40.44 C ATOM 369 O GLU A 23 6.501 6.832 -1.794 1.00 60.33 O ATOM 370 CB GLU A 23 9.779 6.756 -1.276 1.00 52.25 C ATOM 371 CG GLU A 23 9.521 8.284 -1.332 1.00 1.11 C ATOM 372 CD GLU A 23 9.357 8.928 0.054 1.00 40.14 C ATOM 373 OE1 GLU A 23 8.321 8.709 0.704 1.00 55.22 O ATOM 374 OE2 GLU A 23 10.281 9.636 0.518 1.00 52.05 O ATOM 0 H GLU A 23 9.894 4.291 -0.906 1.00 63.51 H new ATOM 0 HA GLU A 23 8.142 6.237 0.051 1.00 42.04 H new ATOM 0 HB2 GLU A 23 10.567 6.561 -0.548 1.00 52.25 H new ATOM 0 HB3 GLU A 23 10.153 6.429 -2.246 1.00 52.25 H new ATOM 0 HG2 GLU A 23 10.349 8.766 -1.852 1.00 1.11 H new ATOM 0 HG3 GLU A 23 8.623 8.472 -1.920 1.00 1.11 H new ATOM 381 N ARG A 24 7.610 5.332 -3.097 1.00 70.22 N ATOM 382 CA ARG A 24 6.664 5.315 -4.241 1.00 45.44 C ATOM 383 C ARG A 24 5.219 5.002 -3.782 1.00 74.33 C ATOM 384 O ARG A 24 4.244 5.457 -4.394 1.00 73.14 O ATOM 385 CB ARG A 24 7.149 4.262 -5.278 1.00 25.23 C ATOM 386 CG ARG A 24 8.510 4.603 -5.954 1.00 53.25 C ATOM 387 CD ARG A 24 9.252 3.365 -6.500 1.00 62.31 C ATOM 388 NE ARG A 24 8.436 2.538 -7.415 1.00 14.25 N ATOM 389 CZ ARG A 24 8.456 1.185 -7.462 1.00 22.34 C ATOM 390 NH1 ARG A 24 9.247 0.491 -6.653 1.00 43.42 N ATOM 391 NH2 ARG A 24 7.707 0.539 -8.346 1.00 21.31 N ATOM 0 H ARG A 24 8.409 4.712 -3.231 1.00 70.22 H new ATOM 0 HA ARG A 24 6.646 6.305 -4.698 1.00 45.44 H new ATOM 0 HB2 ARG A 24 7.236 3.295 -4.782 1.00 25.23 H new ATOM 0 HB3 ARG A 24 6.389 4.156 -6.052 1.00 25.23 H new ATOM 0 HG2 ARG A 24 8.336 5.302 -6.772 1.00 53.25 H new ATOM 0 HG3 ARG A 24 9.149 5.110 -5.231 1.00 53.25 H new ATOM 0 HD2 ARG A 24 10.150 3.692 -7.024 1.00 62.31 H new ATOM 0 HD3 ARG A 24 9.579 2.749 -5.662 1.00 62.31 H new ATOM 0 HE ARG A 24 7.811 3.023 -8.059 1.00 14.25 H new ATOM 0 HH11 ARG A 24 9.848 0.977 -5.987 1.00 43.42 H new ATOM 0 HH12 ARG A 24 9.254 -0.528 -6.697 1.00 43.42 H new ATOM 0 HH21 ARG A 24 7.115 1.062 -8.992 1.00 21.31 H new ATOM 0 HH22 ARG A 24 7.723 -0.480 -8.380 1.00 21.31 H new ATOM 405 N LEU A 25 5.111 4.221 -2.692 1.00 12.41 N ATOM 406 CA LEU A 25 3.831 3.864 -2.067 1.00 73.11 C ATOM 407 C LEU A 25 3.413 4.938 -1.038 1.00 32.13 C ATOM 408 O LEU A 25 2.249 5.358 -1.019 1.00 43.25 O ATOM 409 CB LEU A 25 3.961 2.462 -1.404 1.00 64.30 C ATOM 410 CG LEU A 25 4.407 1.309 -2.364 1.00 61.43 C ATOM 411 CD1 LEU A 25 4.577 -0.026 -1.607 1.00 14.22 C ATOM 412 CD2 LEU A 25 3.434 1.167 -3.558 1.00 75.53 C ATOM 0 H LEU A 25 5.919 3.818 -2.218 1.00 12.41 H new ATOM 0 HA LEU A 25 3.051 3.821 -2.827 1.00 73.11 H new ATOM 0 HB2 LEU A 25 4.678 2.530 -0.586 1.00 64.30 H new ATOM 0 HB3 LEU A 25 3.000 2.195 -0.964 1.00 64.30 H new ATOM 0 HG LEU A 25 5.384 1.576 -2.767 1.00 61.43 H new ATOM 0 HD11 LEU A 25 4.887 -0.803 -2.305 1.00 14.22 H new ATOM 0 HD12 LEU A 25 5.335 0.089 -0.832 1.00 14.22 H new ATOM 0 HD13 LEU A 25 3.629 -0.307 -1.148 1.00 14.22 H new ATOM 0 HD21 LEU A 25 3.770 0.358 -4.207 1.00 75.53 H new ATOM 0 HD22 LEU A 25 2.434 0.943 -3.188 1.00 75.53 H new ATOM 0 HD23 LEU A 25 3.412 2.099 -4.122 1.00 75.53 H new ATOM 424 N ARG A 26 4.394 5.402 -0.222 1.00 71.42 N ATOM 425 CA ARG A 26 4.158 6.309 0.928 1.00 4.11 C ATOM 426 C ARG A 26 3.528 7.622 0.484 1.00 60.44 C ATOM 427 O ARG A 26 2.536 8.062 1.079 1.00 63.32 O ATOM 428 CB ARG A 26 5.472 6.611 1.697 1.00 42.31 C ATOM 429 CG ARG A 26 5.269 7.282 3.080 1.00 55.44 C ATOM 430 CD ARG A 26 6.495 7.129 3.997 1.00 21.13 C ATOM 431 NE ARG A 26 7.739 7.560 3.341 1.00 55.42 N ATOM 432 CZ ARG A 26 8.971 7.102 3.626 1.00 14.20 C ATOM 433 NH1 ARG A 26 9.163 6.193 4.579 1.00 11.42 N ATOM 434 NH2 ARG A 26 10.009 7.551 2.936 1.00 53.35 N ATOM 0 H ARG A 26 5.376 5.155 -0.345 1.00 71.42 H new ATOM 0 HA ARG A 26 3.468 5.790 1.594 1.00 4.11 H new ATOM 0 HB2 ARG A 26 6.019 5.678 1.837 1.00 42.31 H new ATOM 0 HB3 ARG A 26 6.097 7.258 1.082 1.00 42.31 H new ATOM 0 HG2 ARG A 26 5.056 8.342 2.938 1.00 55.44 H new ATOM 0 HG3 ARG A 26 4.398 6.844 3.568 1.00 55.44 H new ATOM 0 HD2 ARG A 26 6.343 7.714 4.904 1.00 21.13 H new ATOM 0 HD3 ARG A 26 6.590 6.087 4.302 1.00 21.13 H new ATOM 0 HE ARG A 26 7.661 8.265 2.608 1.00 55.42 H new ATOM 0 HH11 ARG A 26 8.368 5.832 5.107 1.00 11.42 H new ATOM 0 HH12 ARG A 26 10.105 5.857 4.781 1.00 11.42 H new ATOM 0 HH21 ARG A 26 9.870 8.239 2.195 1.00 53.35 H new ATOM 0 HH22 ARG A 26 10.947 7.209 3.145 1.00 53.35 H new ATOM 448 N GLN A 27 4.108 8.206 -0.593 1.00 61.12 N ATOM 449 CA GLN A 27 3.645 9.472 -1.181 1.00 10.23 C ATOM 450 C GLN A 27 2.139 9.401 -1.483 1.00 40.53 C ATOM 451 O GLN A 27 1.383 10.289 -1.098 1.00 31.24 O ATOM 452 CB GLN A 27 4.431 9.803 -2.482 1.00 63.42 C ATOM 453 CG GLN A 27 5.964 9.911 -2.328 1.00 45.43 C ATOM 454 CD GLN A 27 6.418 11.018 -1.378 1.00 13.22 C ATOM 455 OE1 GLN A 27 6.665 12.152 -1.786 1.00 61.20 O ATOM 456 NE2 GLN A 27 6.560 10.692 -0.114 1.00 1.32 N ATOM 0 H GLN A 27 4.913 7.805 -1.075 1.00 61.12 H new ATOM 0 HA GLN A 27 3.827 10.266 -0.457 1.00 10.23 H new ATOM 0 HB2 GLN A 27 4.212 9.034 -3.223 1.00 63.42 H new ATOM 0 HB3 GLN A 27 4.057 10.746 -2.881 1.00 63.42 H new ATOM 0 HG2 GLN A 27 6.351 8.957 -1.969 1.00 45.43 H new ATOM 0 HG3 GLN A 27 6.406 10.085 -3.309 1.00 45.43 H new ATOM 0 HE21 GLN A 27 6.347 9.743 0.195 1.00 1.32 H new ATOM 0 HE22 GLN A 27 6.883 11.387 0.559 1.00 1.32 H new ATOM 465 N LEU A 28 1.727 8.278 -2.103 1.00 61.25 N ATOM 466 CA LEU A 28 0.336 8.031 -2.498 1.00 22.31 C ATOM 467 C LEU A 28 -0.595 7.949 -1.274 1.00 62.12 C ATOM 468 O LEU A 28 -1.644 8.597 -1.255 1.00 62.04 O ATOM 469 CB LEU A 28 0.242 6.728 -3.329 1.00 45.00 C ATOM 470 CG LEU A 28 -1.192 6.344 -3.817 1.00 44.14 C ATOM 471 CD1 LEU A 28 -1.799 7.447 -4.707 1.00 15.33 C ATOM 472 CD2 LEU A 28 -1.182 4.987 -4.529 1.00 2.11 C ATOM 0 H LEU A 28 2.359 7.514 -2.343 1.00 61.25 H new ATOM 0 HA LEU A 28 0.008 8.872 -3.109 1.00 22.31 H new ATOM 0 HB2 LEU A 28 0.889 6.826 -4.200 1.00 45.00 H new ATOM 0 HB3 LEU A 28 0.635 5.907 -2.730 1.00 45.00 H new ATOM 0 HG LEU A 28 -1.831 6.253 -2.938 1.00 44.14 H new ATOM 0 HD11 LEU A 28 -2.796 7.147 -5.029 1.00 15.33 H new ATOM 0 HD12 LEU A 28 -1.864 8.376 -4.141 1.00 15.33 H new ATOM 0 HD13 LEU A 28 -1.166 7.598 -5.581 1.00 15.33 H new ATOM 0 HD21 LEU A 28 -2.191 4.742 -4.859 1.00 2.11 H new ATOM 0 HD22 LEU A 28 -0.519 5.034 -5.393 1.00 2.11 H new ATOM 0 HD23 LEU A 28 -0.828 4.218 -3.842 1.00 2.11 H new ATOM 484 N PHE A 29 -0.183 7.168 -0.253 1.00 44.25 N ATOM 485 CA PHE A 29 -0.960 7.000 0.995 1.00 34.01 C ATOM 486 C PHE A 29 -1.161 8.345 1.733 1.00 62.02 C ATOM 487 O PHE A 29 -2.186 8.548 2.387 1.00 43.24 O ATOM 488 CB PHE A 29 -0.276 5.978 1.941 1.00 2.11 C ATOM 489 CG PHE A 29 -0.335 4.523 1.480 1.00 41.12 C ATOM 490 CD1 PHE A 29 -1.555 3.875 1.334 1.00 12.02 C ATOM 491 CD2 PHE A 29 0.825 3.800 1.206 1.00 62.25 C ATOM 492 CE1 PHE A 29 -1.608 2.556 0.936 1.00 33.41 C ATOM 493 CE2 PHE A 29 0.769 2.478 0.812 1.00 73.43 C ATOM 494 CZ PHE A 29 -0.448 1.858 0.671 1.00 44.23 C ATOM 0 H PHE A 29 0.690 6.640 -0.269 1.00 44.25 H new ATOM 0 HA PHE A 29 -1.941 6.620 0.710 1.00 34.01 H new ATOM 0 HB2 PHE A 29 0.769 6.262 2.061 1.00 2.11 H new ATOM 0 HB3 PHE A 29 -0.741 6.050 2.924 1.00 2.11 H new ATOM 0 HD1 PHE A 29 -2.472 4.410 1.534 1.00 12.02 H new ATOM 0 HD2 PHE A 29 1.786 4.283 1.304 1.00 62.25 H new ATOM 0 HE1 PHE A 29 -2.565 2.066 0.831 1.00 33.41 H new ATOM 0 HE2 PHE A 29 1.680 1.933 0.615 1.00 73.43 H new ATOM 0 HZ PHE A 29 -0.497 0.827 0.354 1.00 44.23 H new ATOM 504 N GLU A 30 -0.170 9.249 1.602 1.00 54.15 N ATOM 505 CA GLU A 30 -0.230 10.617 2.169 1.00 51.42 C ATOM 506 C GLU A 30 -1.193 11.510 1.348 1.00 42.21 C ATOM 507 O GLU A 30 -1.919 12.331 1.918 1.00 23.52 O ATOM 508 CB GLU A 30 1.187 11.243 2.226 1.00 22.35 C ATOM 509 CG GLU A 30 2.193 10.480 3.116 1.00 41.22 C ATOM 510 CD GLU A 30 3.623 11.045 3.016 1.00 15.35 C ATOM 511 OE1 GLU A 30 4.406 10.587 2.152 1.00 73.45 O ATOM 512 OE2 GLU A 30 3.969 11.965 3.792 1.00 41.01 O ATOM 0 H GLU A 30 0.696 9.054 1.100 1.00 54.15 H new ATOM 0 HA GLU A 30 -0.616 10.550 3.186 1.00 51.42 H new ATOM 0 HB2 GLU A 30 1.587 11.297 1.213 1.00 22.35 H new ATOM 0 HB3 GLU A 30 1.103 12.267 2.591 1.00 22.35 H new ATOM 0 HG2 GLU A 30 1.861 10.525 4.153 1.00 41.22 H new ATOM 0 HG3 GLU A 30 2.201 9.429 2.829 1.00 41.22 H new ATOM 519 N GLU A 31 -1.220 11.303 0.013 1.00 63.54 N ATOM 520 CA GLU A 31 -2.147 12.021 -0.900 1.00 11.32 C ATOM 521 C GLU A 31 -3.593 11.527 -0.731 1.00 30.34 C ATOM 522 O GLU A 31 -4.538 12.184 -1.160 1.00 42.04 O ATOM 523 CB GLU A 31 -1.697 11.875 -2.385 1.00 22.21 C ATOM 524 CG GLU A 31 -0.300 12.458 -2.690 1.00 20.50 C ATOM 525 CD GLU A 31 -0.113 13.911 -2.211 1.00 60.33 C ATOM 526 OE1 GLU A 31 0.525 14.132 -1.159 1.00 44.13 O ATOM 527 OE2 GLU A 31 -0.610 14.836 -2.876 1.00 54.13 O ATOM 0 H GLU A 31 -0.607 10.640 -0.462 1.00 63.54 H new ATOM 0 HA GLU A 31 -2.114 13.077 -0.631 1.00 11.32 H new ATOM 0 HB2 GLU A 31 -1.702 10.818 -2.651 1.00 22.21 H new ATOM 0 HB3 GLU A 31 -2.430 12.368 -3.024 1.00 22.21 H new ATOM 0 HG2 GLU A 31 0.456 11.830 -2.219 1.00 20.50 H new ATOM 0 HG3 GLU A 31 -0.125 12.415 -3.765 1.00 20.50 H new ATOM 534 N LEU A 32 -3.749 10.339 -0.149 1.00 31.41 N ATOM 535 CA LEU A 32 -5.059 9.800 0.243 1.00 20.14 C ATOM 536 C LEU A 32 -5.402 10.216 1.692 1.00 54.03 C ATOM 537 O LEU A 32 -6.575 10.431 2.044 1.00 34.55 O ATOM 538 CB LEU A 32 -5.041 8.265 0.050 1.00 60.40 C ATOM 539 CG LEU A 32 -4.721 7.786 -1.408 1.00 62.24 C ATOM 540 CD1 LEU A 32 -4.646 6.246 -1.520 1.00 54.12 C ATOM 541 CD2 LEU A 32 -5.717 8.392 -2.423 1.00 71.14 C ATOM 0 H LEU A 32 -2.970 9.717 0.067 1.00 31.41 H new ATOM 0 HA LEU A 32 -5.846 10.212 -0.388 1.00 20.14 H new ATOM 0 HB2 LEU A 32 -4.302 7.837 0.728 1.00 60.40 H new ATOM 0 HB3 LEU A 32 -6.012 7.865 0.343 1.00 60.40 H new ATOM 0 HG LEU A 32 -3.727 8.157 -1.658 1.00 62.24 H new ATOM 0 HD11 LEU A 32 -4.422 5.967 -2.549 1.00 54.12 H new ATOM 0 HD12 LEU A 32 -3.861 5.871 -0.863 1.00 54.12 H new ATOM 0 HD13 LEU A 32 -5.602 5.813 -1.226 1.00 54.12 H new ATOM 0 HD21 LEU A 32 -5.472 8.043 -3.426 1.00 71.14 H new ATOM 0 HD22 LEU A 32 -6.730 8.081 -2.168 1.00 71.14 H new ATOM 0 HD23 LEU A 32 -5.652 9.480 -2.391 1.00 71.14 H new ATOM 553 N HIS A 33 -4.350 10.379 2.519 1.00 55.42 N ATOM 554 CA HIS A 33 -4.494 10.768 3.935 1.00 73.14 C ATOM 555 C HIS A 33 -5.144 12.161 4.064 1.00 14.23 C ATOM 556 O HIS A 33 -5.986 12.375 4.940 1.00 63.11 O ATOM 557 CB HIS A 33 -3.120 10.743 4.661 1.00 10.13 C ATOM 558 CG HIS A 33 -3.193 11.132 6.116 1.00 74.31 C ATOM 559 ND1 HIS A 33 -3.747 10.322 7.077 1.00 60.44 N ATOM 560 CD2 HIS A 33 -2.837 12.271 6.761 1.00 53.52 C ATOM 561 CE1 HIS A 33 -3.735 10.947 8.235 1.00 33.45 C ATOM 562 NE2 HIS A 33 -3.187 12.126 8.072 1.00 23.22 N ATOM 0 H HIS A 33 -3.382 10.245 2.226 1.00 55.42 H new ATOM 0 HA HIS A 33 -5.149 10.039 4.413 1.00 73.14 H new ATOM 0 HB2 HIS A 33 -2.697 9.742 4.583 1.00 10.13 H new ATOM 0 HB3 HIS A 33 -2.436 11.419 4.148 1.00 10.13 H new ATOM 0 HD1 HIS A 33 -4.111 9.383 6.918 1.00 60.44 H new ATOM 0 HD2 HIS A 33 -2.363 13.135 6.318 1.00 53.52 H new ATOM 0 HE1 HIS A 33 -4.114 10.553 9.166 1.00 33.45 H new ATOM 571 N GLU A 34 -4.769 13.080 3.152 1.00 31.21 N ATOM 572 CA GLU A 34 -5.234 14.489 3.177 1.00 13.43 C ATOM 573 C GLU A 34 -6.746 14.630 2.872 1.00 11.12 C ATOM 574 O GLU A 34 -7.331 15.695 3.116 1.00 12.20 O ATOM 575 CB GLU A 34 -4.353 15.365 2.228 1.00 14.21 C ATOM 576 CG GLU A 34 -4.289 14.945 0.735 1.00 4.10 C ATOM 577 CD GLU A 34 -5.550 15.287 -0.092 1.00 73.41 C ATOM 578 OE1 GLU A 34 -6.261 14.372 -0.550 1.00 31.10 O ATOM 579 OE2 GLU A 34 -5.841 16.482 -0.272 1.00 10.43 O ATOM 0 H GLU A 34 -4.138 12.872 2.378 1.00 31.21 H new ATOM 0 HA GLU A 34 -5.111 14.859 4.195 1.00 13.43 H new ATOM 0 HB2 GLU A 34 -4.721 16.390 2.276 1.00 14.21 H new ATOM 0 HB3 GLU A 34 -3.336 15.372 2.621 1.00 14.21 H new ATOM 0 HG2 GLU A 34 -3.428 15.428 0.273 1.00 4.10 H new ATOM 0 HG3 GLU A 34 -4.118 13.870 0.682 1.00 4.10 H new ATOM 586 N ARG A 35 -7.371 13.560 2.334 1.00 14.44 N ATOM 587 CA ARG A 35 -8.839 13.529 2.104 1.00 50.50 C ATOM 588 C ARG A 35 -9.515 12.591 3.106 1.00 41.03 C ATOM 589 O ARG A 35 -10.725 12.690 3.328 1.00 13.22 O ATOM 590 CB ARG A 35 -9.162 13.133 0.635 1.00 44.35 C ATOM 591 CG ARG A 35 -8.700 11.719 0.193 1.00 1.34 C ATOM 592 CD ARG A 35 -8.260 11.636 -1.288 1.00 22.15 C ATOM 593 NE ARG A 35 -9.292 12.098 -2.237 1.00 51.41 N ATOM 594 CZ ARG A 35 -9.317 13.310 -2.840 1.00 23.24 C ATOM 595 NH1 ARG A 35 -8.369 14.222 -2.599 1.00 31.32 N ATOM 596 NH2 ARG A 35 -10.298 13.598 -3.689 1.00 32.42 N ATOM 0 H ARG A 35 -6.887 12.708 2.051 1.00 14.44 H new ATOM 0 HA ARG A 35 -9.239 14.530 2.263 1.00 50.50 H new ATOM 0 HB2 ARG A 35 -10.240 13.203 0.490 1.00 44.35 H new ATOM 0 HB3 ARG A 35 -8.703 13.867 -0.027 1.00 44.35 H new ATOM 0 HG2 ARG A 35 -7.870 11.404 0.826 1.00 1.34 H new ATOM 0 HG3 ARG A 35 -9.514 11.013 0.360 1.00 1.34 H new ATOM 0 HD2 ARG A 35 -7.359 12.234 -1.425 1.00 22.15 H new ATOM 0 HD3 ARG A 35 -7.997 10.605 -1.523 1.00 22.15 H new ATOM 0 HE ARG A 35 -10.049 11.451 -2.457 1.00 51.41 H new ATOM 0 HH11 ARG A 35 -7.610 14.010 -1.951 1.00 31.32 H new ATOM 0 HH12 ARG A 35 -8.405 15.130 -3.063 1.00 31.32 H new ATOM 0 HH21 ARG A 35 -11.024 12.908 -3.882 1.00 32.42 H new ATOM 0 HH22 ARG A 35 -10.325 14.509 -4.148 1.00 32.42 H new ATOM 610 N GLY A 36 -8.710 11.699 3.727 1.00 53.45 N ATOM 611 CA GLY A 36 -9.198 10.778 4.750 1.00 33.33 C ATOM 612 C GLY A 36 -10.170 9.760 4.182 1.00 54.54 C ATOM 613 O GLY A 36 -11.280 9.585 4.697 1.00 4.30 O ATOM 0 H GLY A 36 -7.714 11.606 3.527 1.00 53.45 H new ATOM 0 HA2 GLY A 36 -8.353 10.259 5.203 1.00 33.33 H new ATOM 0 HA3 GLY A 36 -9.687 11.343 5.543 1.00 33.33 H new ATOM 617 N THR A 37 -9.758 9.129 3.077 1.00 72.15 N ATOM 618 CA THR A 37 -10.569 8.138 2.362 1.00 61.12 C ATOM 619 C THR A 37 -10.298 6.719 2.888 1.00 14.12 C ATOM 620 O THR A 37 -9.351 6.485 3.661 1.00 24.13 O ATOM 621 CB THR A 37 -10.314 8.205 0.813 1.00 70.34 C ATOM 622 OG1 THR A 37 -11.196 7.309 0.115 1.00 41.52 O ATOM 623 CG2 THR A 37 -8.858 7.879 0.433 1.00 10.54 C ATOM 0 H THR A 37 -8.846 9.293 2.651 1.00 72.15 H new ATOM 0 HA THR A 37 -11.616 8.378 2.545 1.00 61.12 H new ATOM 0 HB THR A 37 -10.513 9.234 0.515 1.00 70.34 H new ATOM 0 HG1 THR A 37 -11.024 7.365 -0.848 1.00 41.52 H new ATOM 0 HG21 THR A 37 -8.742 7.941 -0.649 1.00 10.54 H new ATOM 0 HG22 THR A 37 -8.188 8.594 0.911 1.00 10.54 H new ATOM 0 HG23 THR A 37 -8.612 6.871 0.767 1.00 10.54 H new ATOM 631 N GLU A 38 -11.166 5.786 2.485 1.00 61.41 N ATOM 632 CA GLU A 38 -10.975 4.359 2.719 1.00 51.32 C ATOM 633 C GLU A 38 -9.989 3.804 1.680 1.00 72.32 C ATOM 634 O GLU A 38 -10.230 3.888 0.478 1.00 50.23 O ATOM 635 CB GLU A 38 -12.338 3.611 2.688 1.00 52.44 C ATOM 636 CG GLU A 38 -13.207 3.829 1.432 1.00 52.14 C ATOM 637 CD GLU A 38 -14.543 3.085 1.522 1.00 62.14 C ATOM 638 OE1 GLU A 38 -15.589 3.721 1.768 1.00 21.14 O ATOM 639 OE2 GLU A 38 -14.549 1.845 1.397 1.00 64.44 O ATOM 0 H GLU A 38 -12.027 6.006 1.984 1.00 61.41 H new ATOM 0 HA GLU A 38 -10.552 4.201 3.711 1.00 51.32 H new ATOM 0 HB2 GLU A 38 -12.145 2.543 2.790 1.00 52.44 H new ATOM 0 HB3 GLU A 38 -12.915 3.915 3.561 1.00 52.44 H new ATOM 0 HG2 GLU A 38 -13.394 4.895 1.301 1.00 52.14 H new ATOM 0 HG3 GLU A 38 -12.662 3.490 0.551 1.00 52.14 H new ATOM 646 N ILE A 39 -8.845 3.309 2.158 1.00 14.35 N ATOM 647 CA ILE A 39 -7.791 2.722 1.314 1.00 50.03 C ATOM 648 C ILE A 39 -7.843 1.191 1.448 1.00 35.31 C ATOM 649 O ILE A 39 -7.960 0.675 2.553 1.00 11.42 O ATOM 650 CB ILE A 39 -6.363 3.254 1.730 1.00 22.01 C ATOM 651 CG1 ILE A 39 -6.337 4.818 1.762 1.00 72.50 C ATOM 652 CG2 ILE A 39 -5.263 2.702 0.791 1.00 2.05 C ATOM 653 CD1 ILE A 39 -5.029 5.426 2.244 1.00 42.12 C ATOM 0 H ILE A 39 -8.618 3.302 3.152 1.00 14.35 H new ATOM 0 HA ILE A 39 -7.964 3.014 0.278 1.00 50.03 H new ATOM 0 HB ILE A 39 -6.154 2.891 2.736 1.00 22.01 H new ATOM 0 HG12 ILE A 39 -6.547 5.191 0.760 1.00 72.50 H new ATOM 0 HG13 ILE A 39 -7.143 5.167 2.407 1.00 72.50 H new ATOM 0 HG21 ILE A 39 -4.292 3.086 1.103 1.00 2.05 H new ATOM 0 HG22 ILE A 39 -5.255 1.613 0.840 1.00 2.05 H new ATOM 0 HG23 ILE A 39 -5.466 3.018 -0.232 1.00 2.05 H new ATOM 0 HD11 ILE A 39 -5.107 6.513 2.232 1.00 42.12 H new ATOM 0 HD12 ILE A 39 -4.823 5.088 3.260 1.00 42.12 H new ATOM 0 HD13 ILE A 39 -4.218 5.113 1.587 1.00 42.12 H new ATOM 665 N VAL A 40 -7.800 0.470 0.318 1.00 1.02 N ATOM 666 CA VAL A 40 -7.722 -1.002 0.303 1.00 72.32 C ATOM 667 C VAL A 40 -6.436 -1.403 -0.427 1.00 1.34 C ATOM 668 O VAL A 40 -6.327 -1.230 -1.639 1.00 1.12 O ATOM 669 CB VAL A 40 -8.979 -1.664 -0.386 1.00 33.22 C ATOM 670 CG1 VAL A 40 -8.887 -3.209 -0.365 1.00 24.41 C ATOM 671 CG2 VAL A 40 -10.287 -1.177 0.273 1.00 23.22 C ATOM 0 H VAL A 40 -7.818 0.889 -0.612 1.00 1.02 H new ATOM 0 HA VAL A 40 -7.711 -1.364 1.331 1.00 72.32 H new ATOM 0 HB VAL A 40 -8.989 -1.351 -1.430 1.00 33.22 H new ATOM 0 HG11 VAL A 40 -9.768 -3.633 -0.847 1.00 24.41 H new ATOM 0 HG12 VAL A 40 -7.992 -3.528 -0.900 1.00 24.41 H new ATOM 0 HG13 VAL A 40 -8.836 -3.556 0.667 1.00 24.41 H new ATOM 0 HG21 VAL A 40 -11.139 -1.647 -0.219 1.00 23.22 H new ATOM 0 HG22 VAL A 40 -10.284 -1.446 1.329 1.00 23.22 H new ATOM 0 HG23 VAL A 40 -10.363 -0.094 0.174 1.00 23.22 H new ATOM 681 N VAL A 41 -5.456 -1.901 0.325 1.00 2.14 N ATOM 682 CA VAL A 41 -4.138 -2.273 -0.206 1.00 22.10 C ATOM 683 C VAL A 41 -4.157 -3.761 -0.573 1.00 72.31 C ATOM 684 O VAL A 41 -4.426 -4.609 0.284 1.00 23.23 O ATOM 685 CB VAL A 41 -3.008 -1.994 0.854 1.00 14.23 C ATOM 686 CG1 VAL A 41 -1.597 -2.246 0.271 1.00 24.21 C ATOM 687 CG2 VAL A 41 -3.142 -0.566 1.417 1.00 74.21 C ATOM 0 H VAL A 41 -5.551 -2.060 1.328 1.00 2.14 H new ATOM 0 HA VAL A 41 -3.925 -1.672 -1.090 1.00 22.10 H new ATOM 0 HB VAL A 41 -3.137 -2.698 1.676 1.00 14.23 H new ATOM 0 HG11 VAL A 41 -0.846 -2.042 1.034 1.00 24.21 H new ATOM 0 HG12 VAL A 41 -1.516 -3.285 -0.049 1.00 24.21 H new ATOM 0 HG13 VAL A 41 -1.434 -1.589 -0.583 1.00 24.21 H new ATOM 0 HG21 VAL A 41 -2.354 -0.388 2.149 1.00 74.21 H new ATOM 0 HG22 VAL A 41 -3.053 0.155 0.605 1.00 74.21 H new ATOM 0 HG23 VAL A 41 -4.114 -0.454 1.897 1.00 74.21 H new ATOM 697 N GLU A 42 -3.880 -4.066 -1.847 1.00 34.44 N ATOM 698 CA GLU A 42 -3.948 -5.428 -2.381 1.00 32.01 C ATOM 699 C GLU A 42 -2.575 -5.811 -2.967 1.00 11.01 C ATOM 700 O GLU A 42 -2.207 -5.347 -4.049 1.00 3.13 O ATOM 701 CB GLU A 42 -5.061 -5.493 -3.461 1.00 42.41 C ATOM 702 CG GLU A 42 -5.343 -6.903 -4.024 1.00 13.12 C ATOM 703 CD GLU A 42 -6.342 -6.875 -5.190 1.00 61.22 C ATOM 704 OE1 GLU A 42 -7.559 -7.008 -4.954 1.00 15.01 O ATOM 705 OE2 GLU A 42 -5.908 -6.706 -6.349 1.00 51.01 O ATOM 0 H GLU A 42 -3.601 -3.370 -2.538 1.00 34.44 H new ATOM 0 HA GLU A 42 -4.193 -6.138 -1.591 1.00 32.01 H new ATOM 0 HB2 GLU A 42 -5.983 -5.097 -3.035 1.00 42.41 H new ATOM 0 HB3 GLU A 42 -4.784 -4.837 -4.287 1.00 42.41 H new ATOM 0 HG2 GLU A 42 -4.408 -7.351 -4.360 1.00 13.12 H new ATOM 0 HG3 GLU A 42 -5.734 -7.538 -3.229 1.00 13.12 H new ATOM 712 N VAL A 43 -1.824 -6.670 -2.255 1.00 13.11 N ATOM 713 CA VAL A 43 -0.452 -7.055 -2.638 1.00 62.33 C ATOM 714 C VAL A 43 -0.483 -8.407 -3.368 1.00 21.24 C ATOM 715 O VAL A 43 -1.027 -9.380 -2.850 1.00 5.32 O ATOM 716 CB VAL A 43 0.500 -7.152 -1.382 1.00 64.14 C ATOM 717 CG1 VAL A 43 1.968 -7.421 -1.800 1.00 34.33 C ATOM 718 CG2 VAL A 43 0.394 -5.878 -0.517 1.00 51.45 C ATOM 0 H VAL A 43 -2.150 -7.117 -1.398 1.00 13.11 H new ATOM 0 HA VAL A 43 -0.058 -6.282 -3.297 1.00 62.33 H new ATOM 0 HB VAL A 43 0.172 -8.001 -0.782 1.00 64.14 H new ATOM 0 HG11 VAL A 43 2.594 -7.482 -0.910 1.00 34.33 H new ATOM 0 HG12 VAL A 43 2.024 -8.362 -2.348 1.00 34.33 H new ATOM 0 HG13 VAL A 43 2.320 -6.609 -2.437 1.00 34.33 H new ATOM 0 HG21 VAL A 43 1.058 -5.966 0.343 1.00 51.45 H new ATOM 0 HG22 VAL A 43 0.682 -5.010 -1.111 1.00 51.45 H new ATOM 0 HG23 VAL A 43 -0.633 -5.757 -0.172 1.00 51.45 H new ATOM 728 N HIS A 44 0.093 -8.448 -4.576 1.00 31.10 N ATOM 729 CA HIS A 44 0.217 -9.667 -5.389 1.00 50.42 C ATOM 730 C HIS A 44 1.696 -9.994 -5.551 1.00 72.15 C ATOM 731 O HIS A 44 2.435 -9.201 -6.136 1.00 10.30 O ATOM 732 CB HIS A 44 -0.449 -9.488 -6.779 1.00 13.32 C ATOM 733 CG HIS A 44 -1.955 -9.487 -6.760 1.00 74.15 C ATOM 734 ND1 HIS A 44 -2.704 -10.562 -7.190 1.00 73.42 N ATOM 735 CD2 HIS A 44 -2.851 -8.540 -6.394 1.00 71.11 C ATOM 736 CE1 HIS A 44 -3.982 -10.277 -7.094 1.00 10.34 C ATOM 737 NE2 HIS A 44 -4.104 -9.059 -6.617 1.00 4.03 N ATOM 0 H HIS A 44 0.492 -7.623 -5.024 1.00 31.10 H new ATOM 0 HA HIS A 44 -0.296 -10.486 -4.885 1.00 50.42 H new ATOM 0 HB2 HIS A 44 -0.104 -8.550 -7.214 1.00 13.32 H new ATOM 0 HB3 HIS A 44 -0.108 -10.288 -7.436 1.00 13.32 H new ATOM 0 HD2 HIS A 44 -2.624 -7.560 -6.001 1.00 71.11 H new ATOM 0 HE1 HIS A 44 -4.796 -10.934 -7.362 1.00 10.34 H new ATOM 0 HE2 HIS A 44 -4.985 -8.577 -6.441 1.00 4.03 H new ATOM 746 N ILE A 45 2.140 -11.142 -5.005 1.00 65.13 N ATOM 747 CA ILE A 45 3.544 -11.611 -5.141 1.00 71.31 C ATOM 748 C ILE A 45 3.561 -13.109 -5.489 1.00 42.21 C ATOM 749 O ILE A 45 3.123 -13.934 -4.680 1.00 61.23 O ATOM 750 CB ILE A 45 4.416 -11.331 -3.850 1.00 55.12 C ATOM 751 CG1 ILE A 45 4.470 -9.805 -3.531 1.00 43.42 C ATOM 752 CG2 ILE A 45 5.848 -11.904 -4.009 1.00 50.25 C ATOM 753 CD1 ILE A 45 5.330 -9.429 -2.343 1.00 55.13 C ATOM 0 H ILE A 45 1.547 -11.769 -4.461 1.00 65.13 H new ATOM 0 HA ILE A 45 3.998 -11.039 -5.950 1.00 71.31 H new ATOM 0 HB ILE A 45 3.938 -11.838 -3.012 1.00 55.12 H new ATOM 0 HG12 ILE A 45 4.841 -9.278 -4.410 1.00 43.42 H new ATOM 0 HG13 ILE A 45 3.455 -9.451 -3.352 1.00 43.42 H new ATOM 0 HG21 ILE A 45 6.425 -11.697 -3.108 1.00 50.25 H new ATOM 0 HG22 ILE A 45 5.793 -12.981 -4.166 1.00 50.25 H new ATOM 0 HG23 ILE A 45 6.334 -11.437 -4.866 1.00 50.25 H new ATOM 0 HD11 ILE A 45 5.303 -8.348 -2.202 1.00 55.13 H new ATOM 0 HD12 ILE A 45 4.949 -9.921 -1.448 1.00 55.13 H new ATOM 0 HD13 ILE A 45 6.357 -9.746 -2.522 1.00 55.13 H new ATOM 765 N ASN A 46 4.065 -13.415 -6.714 1.00 74.01 N ATOM 766 CA ASN A 46 4.125 -14.771 -7.322 1.00 14.31 C ATOM 767 C ASN A 46 2.711 -15.309 -7.652 1.00 70.24 C ATOM 768 O ASN A 46 2.386 -15.557 -8.824 1.00 44.03 O ATOM 769 CB ASN A 46 4.942 -15.795 -6.472 1.00 63.02 C ATOM 770 CG ASN A 46 6.422 -15.419 -6.313 1.00 1.15 C ATOM 771 OD1 ASN A 46 6.787 -14.849 -5.175 1.00 41.40 O flip ATOM 772 ND2 ASN A 46 7.244 -15.681 -7.198 1.00 24.05 N flip ATOM 0 H ASN A 46 4.454 -12.699 -7.327 1.00 74.01 H new ATOM 0 HA ASN A 46 4.670 -14.655 -8.259 1.00 14.31 H new ATOM 0 HB2 ASN A 46 4.489 -15.878 -5.484 1.00 63.02 H new ATOM 0 HB3 ASN A 46 4.873 -16.778 -6.938 1.00 63.02 H new ATOM 0 HD21 ASN A 46 6.937 -16.120 -8.066 1.00 24.05 H new ATOM 0 HD22 ASN A 46 8.230 -15.458 -7.061 1.00 24.05 H new ATOM 779 N GLY A 47 1.888 -15.496 -6.608 1.00 52.43 N ATOM 780 CA GLY A 47 0.483 -15.894 -6.755 1.00 1.14 C ATOM 781 C GLY A 47 -0.292 -15.794 -5.447 1.00 4.31 C ATOM 782 O GLY A 47 -1.282 -16.502 -5.253 1.00 3.31 O ATOM 0 H GLY A 47 2.180 -15.375 -5.638 1.00 52.43 H new ATOM 0 HA2 GLY A 47 0.007 -15.263 -7.505 1.00 1.14 H new ATOM 0 HA3 GLY A 47 0.436 -16.919 -7.124 1.00 1.14 H new ATOM 786 N GLU A 48 0.182 -14.928 -4.528 1.00 61.00 N ATOM 787 CA GLU A 48 -0.540 -14.569 -3.284 1.00 51.43 C ATOM 788 C GLU A 48 -1.216 -13.208 -3.463 1.00 60.00 C ATOM 789 O GLU A 48 -0.645 -12.327 -4.111 1.00 61.31 O ATOM 790 CB GLU A 48 0.443 -14.520 -2.072 1.00 21.40 C ATOM 791 CG GLU A 48 0.884 -15.897 -1.538 1.00 22.20 C ATOM 792 CD GLU A 48 -0.252 -16.660 -0.819 1.00 3.23 C ATOM 793 OE1 GLU A 48 -1.094 -17.286 -1.497 1.00 14.52 O ATOM 794 OE2 GLU A 48 -0.304 -16.635 0.428 1.00 35.24 O ATOM 0 H GLU A 48 1.080 -14.454 -4.626 1.00 61.00 H new ATOM 0 HA GLU A 48 -1.295 -15.329 -3.083 1.00 51.43 H new ATOM 0 HB2 GLU A 48 1.330 -13.959 -2.365 1.00 21.40 H new ATOM 0 HB3 GLU A 48 -0.030 -13.967 -1.261 1.00 21.40 H new ATOM 0 HG2 GLU A 48 1.251 -16.501 -2.368 1.00 22.20 H new ATOM 0 HG3 GLU A 48 1.717 -15.763 -0.848 1.00 22.20 H new ATOM 801 N ARG A 49 -2.433 -13.057 -2.895 1.00 42.45 N ATOM 802 CA ARG A 49 -3.159 -11.777 -2.853 1.00 50.14 C ATOM 803 C ARG A 49 -3.557 -11.469 -1.391 1.00 62.13 C ATOM 804 O ARG A 49 -4.350 -12.184 -0.764 1.00 45.32 O ATOM 805 CB ARG A 49 -4.392 -11.769 -3.819 1.00 4.21 C ATOM 806 CG ARG A 49 -5.570 -12.715 -3.468 1.00 23.21 C ATOM 807 CD ARG A 49 -6.703 -12.667 -4.512 1.00 12.11 C ATOM 808 NE ARG A 49 -7.855 -13.511 -4.138 1.00 71.41 N ATOM 809 CZ ARG A 49 -9.093 -13.412 -4.668 1.00 70.11 C ATOM 810 NH1 ARG A 49 -9.372 -12.499 -5.601 1.00 60.44 N ATOM 811 NH2 ARG A 49 -10.053 -14.230 -4.251 1.00 52.01 N ATOM 0 H ARG A 49 -2.938 -13.825 -2.452 1.00 42.45 H new ATOM 0 HA ARG A 49 -2.502 -10.984 -3.211 1.00 50.14 H new ATOM 0 HB2 ARG A 49 -4.778 -10.751 -3.866 1.00 4.21 H new ATOM 0 HB3 ARG A 49 -4.040 -12.023 -4.819 1.00 4.21 H new ATOM 0 HG2 ARG A 49 -5.199 -13.737 -3.388 1.00 23.21 H new ATOM 0 HG3 ARG A 49 -5.970 -12.443 -2.491 1.00 23.21 H new ATOM 0 HD2 ARG A 49 -7.037 -11.636 -4.634 1.00 12.11 H new ATOM 0 HD3 ARG A 49 -6.317 -12.993 -5.478 1.00 12.11 H new ATOM 0 HE ARG A 49 -7.704 -14.224 -3.424 1.00 71.41 H new ATOM 0 HH11 ARG A 49 -8.644 -11.862 -5.925 1.00 60.44 H new ATOM 0 HH12 ARG A 49 -10.313 -12.439 -5.990 1.00 60.44 H new ATOM 0 HH21 ARG A 49 -9.853 -14.928 -3.534 1.00 52.01 H new ATOM 0 HH22 ARG A 49 -10.990 -14.160 -4.647 1.00 52.01 H new ATOM 825 N ASP A 50 -2.927 -10.431 -0.840 1.00 55.34 N ATOM 826 CA ASP A 50 -3.230 -9.900 0.499 1.00 43.14 C ATOM 827 C ASP A 50 -4.139 -8.693 0.334 1.00 4.54 C ATOM 828 O ASP A 50 -3.915 -7.894 -0.564 1.00 51.22 O ATOM 829 CB ASP A 50 -1.921 -9.493 1.220 1.00 73.45 C ATOM 830 CG ASP A 50 -0.967 -10.686 1.399 1.00 53.15 C ATOM 831 OD1 ASP A 50 -1.241 -11.548 2.265 1.00 34.20 O ATOM 832 OD2 ASP A 50 0.065 -10.763 0.694 1.00 11.23 O ATOM 0 H ASP A 50 -2.180 -9.924 -1.315 1.00 55.34 H new ATOM 0 HA ASP A 50 -3.725 -10.661 1.103 1.00 43.14 H new ATOM 0 HB2 ASP A 50 -1.421 -8.711 0.649 1.00 73.45 H new ATOM 0 HB3 ASP A 50 -2.161 -9.071 2.196 1.00 73.45 H new ATOM 837 N GLU A 51 -5.166 -8.571 1.180 1.00 62.15 N ATOM 838 CA GLU A 51 -6.129 -7.459 1.103 1.00 21.55 C ATOM 839 C GLU A 51 -6.347 -6.864 2.505 1.00 34.23 C ATOM 840 O GLU A 51 -6.985 -7.484 3.369 1.00 1.24 O ATOM 841 CB GLU A 51 -7.464 -7.952 0.488 1.00 12.52 C ATOM 842 CG GLU A 51 -8.505 -6.836 0.252 1.00 5.10 C ATOM 843 CD GLU A 51 -9.853 -7.374 -0.238 1.00 52.42 C ATOM 844 OE1 GLU A 51 -10.118 -7.354 -1.462 1.00 4.31 O ATOM 845 OE2 GLU A 51 -10.648 -7.841 0.609 1.00 21.55 O ATOM 0 H GLU A 51 -5.356 -9.232 1.933 1.00 62.15 H new ATOM 0 HA GLU A 51 -5.731 -6.677 0.457 1.00 21.55 H new ATOM 0 HB2 GLU A 51 -7.253 -8.443 -0.462 1.00 12.52 H new ATOM 0 HB3 GLU A 51 -7.898 -8.704 1.147 1.00 12.52 H new ATOM 0 HG2 GLU A 51 -8.655 -6.284 1.180 1.00 5.10 H new ATOM 0 HG3 GLU A 51 -8.114 -6.129 -0.480 1.00 5.10 H new ATOM 852 N ILE A 52 -5.797 -5.659 2.718 1.00 33.43 N ATOM 853 CA ILE A 52 -5.863 -4.938 3.992 1.00 31.54 C ATOM 854 C ILE A 52 -6.697 -3.662 3.773 1.00 74.31 C ATOM 855 O ILE A 52 -6.236 -2.735 3.099 1.00 45.33 O ATOM 856 CB ILE A 52 -4.407 -4.559 4.486 1.00 34.04 C ATOM 857 CG1 ILE A 52 -3.447 -5.799 4.409 1.00 74.41 C ATOM 858 CG2 ILE A 52 -4.449 -3.975 5.920 1.00 33.34 C ATOM 859 CD1 ILE A 52 -1.968 -5.476 4.569 1.00 55.20 C ATOM 0 H ILE A 52 -5.286 -5.152 1.995 1.00 33.43 H new ATOM 0 HA ILE A 52 -6.324 -5.566 4.755 1.00 31.54 H new ATOM 0 HB ILE A 52 -4.012 -3.791 3.821 1.00 34.04 H new ATOM 0 HG12 ILE A 52 -3.734 -6.511 5.183 1.00 74.41 H new ATOM 0 HG13 ILE A 52 -3.594 -6.295 3.449 1.00 74.41 H new ATOM 0 HG21 ILE A 52 -3.438 -3.722 6.239 1.00 33.34 H new ATOM 0 HG22 ILE A 52 -5.068 -3.078 5.930 1.00 33.34 H new ATOM 0 HG23 ILE A 52 -4.870 -4.714 6.602 1.00 33.34 H new ATOM 0 HD11 ILE A 52 -1.386 -6.395 4.502 1.00 55.20 H new ATOM 0 HD12 ILE A 52 -1.658 -4.791 3.780 1.00 55.20 H new ATOM 0 HD13 ILE A 52 -1.800 -5.011 5.540 1.00 55.20 H new ATOM 871 N ARG A 53 -7.932 -3.630 4.309 1.00 21.10 N ATOM 872 CA ARG A 53 -8.802 -2.446 4.210 1.00 61.11 C ATOM 873 C ARG A 53 -8.482 -1.523 5.392 1.00 42.41 C ATOM 874 O ARG A 53 -8.857 -1.804 6.533 1.00 4.31 O ATOM 875 CB ARG A 53 -10.321 -2.809 4.204 1.00 14.52 C ATOM 876 CG ARG A 53 -10.809 -3.690 3.026 1.00 40.12 C ATOM 877 CD ARG A 53 -10.395 -5.163 3.150 1.00 30.01 C ATOM 878 NE ARG A 53 -10.896 -5.760 4.399 1.00 53.34 N ATOM 879 CZ ARG A 53 -11.096 -7.067 4.615 1.00 34.50 C ATOM 880 NH1 ARG A 53 -10.838 -7.975 3.668 1.00 34.42 N ATOM 881 NH2 ARG A 53 -11.551 -7.464 5.797 1.00 54.14 N ATOM 0 H ARG A 53 -8.348 -4.412 4.815 1.00 21.10 H new ATOM 0 HA ARG A 53 -8.605 -1.951 3.259 1.00 61.11 H new ATOM 0 HB2 ARG A 53 -10.554 -3.324 5.136 1.00 14.52 H new ATOM 0 HB3 ARG A 53 -10.895 -1.882 4.199 1.00 14.52 H new ATOM 0 HG2 ARG A 53 -11.896 -3.630 2.964 1.00 40.12 H new ATOM 0 HG3 ARG A 53 -10.414 -3.287 2.093 1.00 40.12 H new ATOM 0 HD2 ARG A 53 -10.779 -5.723 2.298 1.00 30.01 H new ATOM 0 HD3 ARG A 53 -9.308 -5.241 3.118 1.00 30.01 H new ATOM 0 HE ARG A 53 -11.109 -5.123 5.167 1.00 53.34 H new ATOM 0 HH11 ARG A 53 -10.482 -7.677 2.760 1.00 34.42 H new ATOM 0 HH12 ARG A 53 -10.998 -8.965 3.854 1.00 34.42 H new ATOM 0 HH21 ARG A 53 -11.744 -6.777 6.526 1.00 54.14 H new ATOM 0 HH22 ARG A 53 -11.708 -8.456 5.976 1.00 54.14 H new ATOM 895 N VAL A 54 -7.760 -0.446 5.101 1.00 4.42 N ATOM 896 CA VAL A 54 -7.379 0.581 6.074 1.00 2.24 C ATOM 897 C VAL A 54 -8.109 1.901 5.736 1.00 61.23 C ATOM 898 O VAL A 54 -7.758 2.611 4.792 1.00 11.25 O ATOM 899 CB VAL A 54 -5.807 0.761 6.087 1.00 71.02 C ATOM 900 CG1 VAL A 54 -5.127 -0.376 6.880 1.00 5.13 C ATOM 901 CG2 VAL A 54 -5.221 0.851 4.650 1.00 45.33 C ATOM 0 H VAL A 54 -7.414 -0.255 4.161 1.00 4.42 H new ATOM 0 HA VAL A 54 -7.678 0.275 7.076 1.00 2.24 H new ATOM 0 HB VAL A 54 -5.597 1.706 6.587 1.00 71.02 H new ATOM 0 HG11 VAL A 54 -4.047 -0.229 6.874 1.00 5.13 H new ATOM 0 HG12 VAL A 54 -5.488 -0.369 7.908 1.00 5.13 H new ATOM 0 HG13 VAL A 54 -5.365 -1.334 6.419 1.00 5.13 H new ATOM 0 HG21 VAL A 54 -4.139 0.974 4.705 1.00 45.33 H new ATOM 0 HG22 VAL A 54 -5.455 -0.063 4.104 1.00 45.33 H new ATOM 0 HG23 VAL A 54 -5.657 1.705 4.132 1.00 45.33 H new ATOM 911 N ARG A 55 -9.132 2.223 6.535 1.00 74.35 N ATOM 912 CA ARG A 55 -10.011 3.380 6.300 1.00 11.20 C ATOM 913 C ARG A 55 -9.623 4.503 7.262 1.00 61.33 C ATOM 914 O ARG A 55 -9.536 4.257 8.467 1.00 61.13 O ATOM 915 CB ARG A 55 -11.500 2.982 6.519 1.00 1.14 C ATOM 916 CG ARG A 55 -11.950 1.694 5.772 1.00 11.03 C ATOM 917 CD ARG A 55 -13.470 1.414 5.894 1.00 15.31 C ATOM 918 NE ARG A 55 -14.301 2.348 5.093 1.00 14.12 N ATOM 919 CZ ARG A 55 -15.021 3.384 5.577 1.00 52.11 C ATOM 920 NH1 ARG A 55 -15.035 3.668 6.881 1.00 30.43 N ATOM 921 NH2 ARG A 55 -15.729 4.139 4.742 1.00 25.15 N ATOM 0 H ARG A 55 -9.377 1.687 7.368 1.00 74.35 H new ATOM 0 HA ARG A 55 -9.894 3.720 5.271 1.00 11.20 H new ATOM 0 HB2 ARG A 55 -11.671 2.844 7.587 1.00 1.14 H new ATOM 0 HB3 ARG A 55 -12.133 3.810 6.199 1.00 1.14 H new ATOM 0 HG2 ARG A 55 -11.687 1.783 4.718 1.00 11.03 H new ATOM 0 HG3 ARG A 55 -11.398 0.841 6.167 1.00 11.03 H new ATOM 0 HD2 ARG A 55 -13.672 0.392 5.574 1.00 15.31 H new ATOM 0 HD3 ARG A 55 -13.763 1.484 6.942 1.00 15.31 H new ATOM 0 HE ARG A 55 -14.331 2.193 4.085 1.00 14.12 H new ATOM 0 HH11 ARG A 55 -14.495 3.098 7.533 1.00 30.43 H new ATOM 0 HH12 ARG A 55 -15.585 4.455 7.226 1.00 30.43 H new ATOM 0 HH21 ARG A 55 -15.726 3.935 3.743 1.00 25.15 H new ATOM 0 HH22 ARG A 55 -16.275 4.923 5.101 1.00 25.15 H new ATOM 935 N ASN A 56 -9.351 5.712 6.719 1.00 52.22 N ATOM 936 CA ASN A 56 -9.075 6.934 7.523 1.00 43.11 C ATOM 937 C ASN A 56 -7.854 6.733 8.442 1.00 52.41 C ATOM 938 O ASN A 56 -7.797 7.290 9.547 1.00 74.04 O ATOM 939 CB ASN A 56 -10.329 7.369 8.356 1.00 11.22 C ATOM 940 CG ASN A 56 -11.502 7.887 7.527 1.00 11.01 C ATOM 941 OD1 ASN A 56 -11.741 7.313 6.351 1.00 3.32 O flip ATOM 942 ND2 ASN A 56 -12.223 8.788 7.965 1.00 31.35 N flip ATOM 0 H ASN A 56 -9.316 5.872 5.712 1.00 52.22 H new ATOM 0 HA ASN A 56 -8.844 7.737 6.823 1.00 43.11 H new ATOM 0 HB2 ASN A 56 -10.668 6.518 8.947 1.00 11.22 H new ATOM 0 HB3 ASN A 56 -10.029 8.146 9.059 1.00 11.22 H new ATOM 0 HD21 ASN A 56 -12.017 9.211 8.870 1.00 31.35 H new ATOM 0 HD22 ASN A 56 -13.024 9.109 7.422 1.00 31.35 H new ATOM 949 N ILE A 57 -6.882 5.931 7.966 1.00 22.10 N ATOM 950 CA ILE A 57 -5.642 5.653 8.712 1.00 23.30 C ATOM 951 C ILE A 57 -4.756 6.906 8.827 1.00 41.25 C ATOM 952 O ILE A 57 -4.847 7.830 8.008 1.00 14.52 O ATOM 953 CB ILE A 57 -4.829 4.410 8.132 1.00 63.03 C ATOM 954 CG1 ILE A 57 -4.874 4.315 6.563 1.00 31.55 C ATOM 955 CG2 ILE A 57 -5.343 3.095 8.772 1.00 53.42 C ATOM 956 CD1 ILE A 57 -4.267 5.476 5.798 1.00 20.15 C ATOM 0 H ILE A 57 -6.934 5.462 7.062 1.00 22.10 H new ATOM 0 HA ILE A 57 -5.951 5.370 9.718 1.00 23.30 H new ATOM 0 HB ILE A 57 -3.783 4.565 8.398 1.00 63.03 H new ATOM 0 HG12 ILE A 57 -4.361 3.402 6.261 1.00 31.55 H new ATOM 0 HG13 ILE A 57 -5.915 4.211 6.257 1.00 31.55 H new ATOM 0 HG21 ILE A 57 -4.782 2.251 8.370 1.00 53.42 H new ATOM 0 HG22 ILE A 57 -5.207 3.139 9.853 1.00 53.42 H new ATOM 0 HG23 ILE A 57 -6.401 2.969 8.544 1.00 53.42 H new ATOM 0 HD11 ILE A 57 -4.359 5.294 4.727 1.00 20.15 H new ATOM 0 HD12 ILE A 57 -4.792 6.396 6.056 1.00 20.15 H new ATOM 0 HD13 ILE A 57 -3.214 5.574 6.060 1.00 20.15 H new ATOM 968 N SER A 58 -3.914 6.912 9.858 1.00 52.33 N ATOM 969 CA SER A 58 -3.134 8.082 10.265 1.00 21.14 C ATOM 970 C SER A 58 -1.788 8.163 9.502 1.00 65.53 C ATOM 971 O SER A 58 -1.513 7.327 8.639 1.00 42.21 O ATOM 972 CB SER A 58 -2.951 8.017 11.790 1.00 51.35 C ATOM 973 OG SER A 58 -4.197 7.817 12.443 1.00 35.34 O ATOM 0 H SER A 58 -3.751 6.093 10.444 1.00 52.33 H new ATOM 0 HA SER A 58 -3.663 9.000 10.007 1.00 21.14 H new ATOM 0 HB2 SER A 58 -2.269 7.206 12.044 1.00 51.35 H new ATOM 0 HB3 SER A 58 -2.494 8.941 12.145 1.00 51.35 H new ATOM 0 HG SER A 58 -4.467 6.879 12.353 1.00 35.34 H new ATOM 979 N LYS A 59 -0.969 9.185 9.827 1.00 23.43 N ATOM 980 CA LYS A 59 0.258 9.526 9.068 1.00 4.14 C ATOM 981 C LYS A 59 1.357 8.445 9.219 1.00 42.22 C ATOM 982 O LYS A 59 1.922 7.977 8.231 1.00 23.02 O ATOM 983 CB LYS A 59 0.796 10.906 9.530 1.00 13.21 C ATOM 984 CG LYS A 59 2.010 11.426 8.715 1.00 11.54 C ATOM 985 CD LYS A 59 2.588 12.754 9.265 1.00 22.30 C ATOM 986 CE LYS A 59 3.137 12.620 10.696 1.00 54.33 C ATOM 987 NZ LYS A 59 3.804 13.869 11.160 1.00 20.24 N ATOM 0 H LYS A 59 -1.138 9.799 10.624 1.00 23.43 H new ATOM 0 HA LYS A 59 -0.008 9.571 8.012 1.00 4.14 H new ATOM 0 HB2 LYS A 59 -0.010 11.637 9.465 1.00 13.21 H new ATOM 0 HB3 LYS A 59 1.081 10.838 10.580 1.00 13.21 H new ATOM 0 HG2 LYS A 59 2.793 10.668 8.717 1.00 11.54 H new ATOM 0 HG3 LYS A 59 1.708 11.570 7.677 1.00 11.54 H new ATOM 0 HD2 LYS A 59 3.385 13.098 8.606 1.00 22.30 H new ATOM 0 HD3 LYS A 59 1.810 13.517 9.250 1.00 22.30 H new ATOM 0 HE2 LYS A 59 2.321 12.372 11.375 1.00 54.33 H new ATOM 0 HE3 LYS A 59 3.847 11.794 10.735 1.00 54.33 H new ATOM 0 HZ1 LYS A 59 4.159 13.734 12.128 1.00 20.24 H new ATOM 0 HZ2 LYS A 59 4.599 14.093 10.528 1.00 20.24 H new ATOM 0 HZ3 LYS A 59 3.120 14.653 11.148 1.00 20.24 H new ATOM 1001 N GLU A 60 1.671 8.081 10.468 1.00 21.32 N ATOM 1002 CA GLU A 60 2.625 6.985 10.780 1.00 74.43 C ATOM 1003 C GLU A 60 1.963 5.608 10.566 1.00 73.24 C ATOM 1004 O GLU A 60 2.636 4.611 10.299 1.00 22.43 O ATOM 1005 CB GLU A 60 3.155 7.095 12.242 1.00 2.42 C ATOM 1006 CG GLU A 60 2.137 6.787 13.377 1.00 61.44 C ATOM 1007 CD GLU A 60 1.085 7.886 13.613 1.00 30.11 C ATOM 1008 OE1 GLU A 60 0.085 7.939 12.869 1.00 71.54 O ATOM 1009 OE2 GLU A 60 1.242 8.695 14.551 1.00 32.33 O ATOM 0 H GLU A 60 1.278 8.530 11.295 1.00 21.32 H new ATOM 0 HA GLU A 60 3.470 7.083 10.099 1.00 74.43 H new ATOM 0 HB2 GLU A 60 4.001 6.416 12.350 1.00 2.42 H new ATOM 0 HB3 GLU A 60 3.536 8.105 12.391 1.00 2.42 H new ATOM 0 HG2 GLU A 60 1.623 5.855 13.142 1.00 61.44 H new ATOM 0 HG3 GLU A 60 2.686 6.623 14.304 1.00 61.44 H new ATOM 1016 N GLU A 61 0.636 5.585 10.724 1.00 62.32 N ATOM 1017 CA GLU A 61 -0.184 4.366 10.624 1.00 40.44 C ATOM 1018 C GLU A 61 -0.280 3.839 9.168 1.00 15.31 C ATOM 1019 O GLU A 61 -0.323 2.622 8.953 1.00 72.14 O ATOM 1020 CB GLU A 61 -1.566 4.664 11.238 1.00 54.15 C ATOM 1021 CG GLU A 61 -2.513 3.461 11.419 1.00 30.32 C ATOM 1022 CD GLU A 61 -3.768 3.829 12.233 1.00 14.14 C ATOM 1023 OE1 GLU A 61 -4.546 4.680 11.769 1.00 23.21 O ATOM 1024 OE2 GLU A 61 -3.967 3.289 13.341 1.00 42.40 O ATOM 0 H GLU A 61 0.090 6.422 10.928 1.00 62.32 H new ATOM 0 HA GLU A 61 0.291 3.560 11.183 1.00 40.44 H new ATOM 0 HB2 GLU A 61 -1.413 5.127 12.213 1.00 54.15 H new ATOM 0 HB3 GLU A 61 -2.067 5.401 10.610 1.00 54.15 H new ATOM 0 HG2 GLU A 61 -2.813 3.086 10.441 1.00 30.32 H new ATOM 0 HG3 GLU A 61 -1.980 2.653 11.920 1.00 30.32 H new ATOM 1031 N LEU A 62 -0.257 4.751 8.167 1.00 45.21 N ATOM 1032 CA LEU A 62 -0.237 4.356 6.735 1.00 22.21 C ATOM 1033 C LEU A 62 1.107 3.704 6.375 1.00 63.21 C ATOM 1034 O LEU A 62 1.188 2.875 5.470 1.00 61.15 O ATOM 1035 CB LEU A 62 -0.582 5.558 5.791 1.00 70.30 C ATOM 1036 CG LEU A 62 0.344 6.832 5.815 1.00 22.34 C ATOM 1037 CD1 LEU A 62 1.631 6.669 4.963 1.00 30.45 C ATOM 1038 CD2 LEU A 62 -0.436 8.099 5.394 1.00 43.54 C ATOM 0 H LEU A 62 -0.252 5.759 8.321 1.00 45.21 H new ATOM 0 HA LEU A 62 -1.019 3.613 6.580 1.00 22.21 H new ATOM 0 HB2 LEU A 62 -0.598 5.181 4.769 1.00 70.30 H new ATOM 0 HB3 LEU A 62 -1.596 5.882 6.027 1.00 70.30 H new ATOM 0 HG LEU A 62 0.669 6.949 6.849 1.00 22.34 H new ATOM 0 HD11 LEU A 62 2.225 7.581 5.022 1.00 30.45 H new ATOM 0 HD12 LEU A 62 2.215 5.831 5.343 1.00 30.45 H new ATOM 0 HD13 LEU A 62 1.358 6.480 3.925 1.00 30.45 H new ATOM 0 HD21 LEU A 62 0.230 8.962 5.420 1.00 43.54 H new ATOM 0 HD22 LEU A 62 -0.822 7.969 4.383 1.00 43.54 H new ATOM 0 HD23 LEU A 62 -1.266 8.260 6.082 1.00 43.54 H new ATOM 1050 N LYS A 63 2.154 4.079 7.130 1.00 54.10 N ATOM 1051 CA LYS A 63 3.507 3.525 6.973 1.00 61.25 C ATOM 1052 C LYS A 63 3.550 2.054 7.427 1.00 13.43 C ATOM 1053 O LYS A 63 4.430 1.293 7.003 1.00 24.44 O ATOM 1054 CB LYS A 63 4.539 4.396 7.744 1.00 10.31 C ATOM 1055 CG LYS A 63 4.490 5.896 7.357 1.00 22.21 C ATOM 1056 CD LYS A 63 5.449 6.781 8.191 1.00 54.32 C ATOM 1057 CE LYS A 63 5.213 8.284 7.953 1.00 45.03 C ATOM 1058 NZ LYS A 63 6.110 9.134 8.788 1.00 62.25 N ATOM 0 H LYS A 63 2.084 4.778 7.869 1.00 54.10 H new ATOM 0 HA LYS A 63 3.776 3.547 5.917 1.00 61.25 H new ATOM 0 HB2 LYS A 63 4.358 4.299 8.814 1.00 10.31 H new ATOM 0 HB3 LYS A 63 5.541 4.012 7.554 1.00 10.31 H new ATOM 0 HG2 LYS A 63 4.740 5.999 6.301 1.00 22.21 H new ATOM 0 HG3 LYS A 63 3.471 6.262 7.481 1.00 22.21 H new ATOM 0 HD2 LYS A 63 5.317 6.558 9.250 1.00 54.32 H new ATOM 0 HD3 LYS A 63 6.480 6.533 7.939 1.00 54.32 H new ATOM 0 HE2 LYS A 63 5.375 8.513 6.900 1.00 45.03 H new ATOM 0 HE3 LYS A 63 4.174 8.527 8.176 1.00 45.03 H new ATOM 0 HZ1 LYS A 63 5.916 10.137 8.595 1.00 62.25 H new ATOM 0 HZ2 LYS A 63 5.938 8.936 9.794 1.00 62.25 H new ATOM 0 HZ3 LYS A 63 7.102 8.923 8.558 1.00 62.25 H new ATOM 1072 N LYS A 64 2.565 1.637 8.258 1.00 3.34 N ATOM 1073 CA LYS A 64 2.456 0.235 8.697 1.00 71.35 C ATOM 1074 C LYS A 64 2.026 -0.658 7.509 1.00 14.34 C ATOM 1075 O LYS A 64 2.291 -1.861 7.506 1.00 0.10 O ATOM 1076 CB LYS A 64 1.470 0.073 9.897 1.00 2.31 C ATOM 1077 CG LYS A 64 1.639 1.098 11.058 1.00 33.23 C ATOM 1078 CD LYS A 64 3.087 1.258 11.585 1.00 55.45 C ATOM 1079 CE LYS A 64 3.676 -0.026 12.195 1.00 33.33 C ATOM 1080 NZ LYS A 64 2.921 -0.520 13.377 1.00 74.34 N ATOM 0 H LYS A 64 1.842 2.251 8.633 1.00 3.34 H new ATOM 0 HA LYS A 64 3.438 -0.083 9.047 1.00 71.35 H new ATOM 0 HB2 LYS A 64 0.451 0.147 9.518 1.00 2.31 H new ATOM 0 HB3 LYS A 64 1.586 -0.931 10.305 1.00 2.31 H new ATOM 0 HG2 LYS A 64 1.282 2.071 10.719 1.00 33.23 H new ATOM 0 HG3 LYS A 64 0.998 0.795 11.886 1.00 33.23 H new ATOM 0 HD2 LYS A 64 3.727 1.585 10.766 1.00 55.45 H new ATOM 0 HD3 LYS A 64 3.104 2.046 12.337 1.00 55.45 H new ATOM 0 HE2 LYS A 64 3.694 -0.806 11.433 1.00 33.33 H new ATOM 0 HE3 LYS A 64 4.710 0.160 12.486 1.00 33.33 H new ATOM 0 HZ1 LYS A 64 3.370 -1.386 13.739 1.00 74.34 H new ATOM 0 HZ2 LYS A 64 2.924 0.208 14.120 1.00 74.34 H new ATOM 0 HZ3 LYS A 64 1.940 -0.728 13.100 1.00 74.34 H new ATOM 1094 N LEU A 65 1.383 -0.042 6.484 1.00 55.13 N ATOM 1095 CA LEU A 65 1.044 -0.733 5.219 1.00 52.21 C ATOM 1096 C LEU A 65 2.330 -1.078 4.466 1.00 64.41 C ATOM 1097 O LEU A 65 2.500 -2.205 4.009 1.00 23.33 O ATOM 1098 CB LEU A 65 0.094 0.139 4.328 1.00 75.25 C ATOM 1099 CG LEU A 65 -1.409 0.167 4.763 1.00 52.33 C ATOM 1100 CD1 LEU A 65 -1.991 -1.264 4.850 1.00 72.11 C ATOM 1101 CD2 LEU A 65 -1.620 0.953 6.079 1.00 13.43 C ATOM 0 H LEU A 65 1.090 0.934 6.512 1.00 55.13 H new ATOM 0 HA LEU A 65 0.509 -1.653 5.457 1.00 52.21 H new ATOM 0 HB2 LEU A 65 0.470 1.162 4.321 1.00 75.25 H new ATOM 0 HB3 LEU A 65 0.150 -0.228 3.303 1.00 75.25 H new ATOM 0 HG LEU A 65 -1.960 0.702 3.989 1.00 52.33 H new ATOM 0 HD11 LEU A 65 -3.036 -1.214 5.154 1.00 72.11 H new ATOM 0 HD12 LEU A 65 -1.920 -1.746 3.875 1.00 72.11 H new ATOM 0 HD13 LEU A 65 -1.427 -1.842 5.582 1.00 72.11 H new ATOM 0 HD21 LEU A 65 -2.678 0.946 6.342 1.00 13.43 H new ATOM 0 HD22 LEU A 65 -1.044 0.486 6.878 1.00 13.43 H new ATOM 0 HD23 LEU A 65 -1.287 1.982 5.946 1.00 13.43 H new ATOM 1113 N LEU A 66 3.241 -0.093 4.407 1.00 12.11 N ATOM 1114 CA LEU A 66 4.558 -0.236 3.760 1.00 25.13 C ATOM 1115 C LEU A 66 5.370 -1.366 4.393 1.00 53.13 C ATOM 1116 O LEU A 66 6.021 -2.132 3.672 1.00 44.02 O ATOM 1117 CB LEU A 66 5.383 1.076 3.848 1.00 1.14 C ATOM 1118 CG LEU A 66 4.991 2.229 2.878 1.00 2.41 C ATOM 1119 CD1 LEU A 66 3.582 2.784 3.152 1.00 31.40 C ATOM 1120 CD2 LEU A 66 6.044 3.338 2.944 1.00 0.44 C ATOM 0 H LEU A 66 3.085 0.831 4.809 1.00 12.11 H new ATOM 0 HA LEU A 66 4.363 -0.470 2.713 1.00 25.13 H new ATOM 0 HB2 LEU A 66 5.310 1.453 4.868 1.00 1.14 H new ATOM 0 HB3 LEU A 66 6.430 0.829 3.674 1.00 1.14 H new ATOM 0 HG LEU A 66 4.962 1.817 1.869 1.00 2.41 H new ATOM 0 HD11 LEU A 66 3.363 3.585 2.446 1.00 31.40 H new ATOM 0 HD12 LEU A 66 2.848 1.987 3.036 1.00 31.40 H new ATOM 0 HD13 LEU A 66 3.536 3.174 4.169 1.00 31.40 H new ATOM 0 HD21 LEU A 66 5.767 4.144 2.264 1.00 0.44 H new ATOM 0 HD22 LEU A 66 6.101 3.725 3.961 1.00 0.44 H new ATOM 0 HD23 LEU A 66 7.015 2.936 2.654 1.00 0.44 H new ATOM 1132 N GLU A 67 5.339 -1.457 5.749 1.00 2.30 N ATOM 1133 CA GLU A 67 6.100 -2.499 6.446 1.00 62.14 C ATOM 1134 C GLU A 67 5.499 -3.892 6.169 1.00 51.25 C ATOM 1135 O GLU A 67 6.248 -4.830 5.960 1.00 2.24 O ATOM 1136 CB GLU A 67 6.290 -2.233 7.966 1.00 54.10 C ATOM 1137 CG GLU A 67 5.074 -2.506 8.875 1.00 72.43 C ATOM 1138 CD GLU A 67 5.409 -2.518 10.376 1.00 45.30 C ATOM 1139 OE1 GLU A 67 6.217 -1.680 10.833 1.00 43.41 O ATOM 1140 OE2 GLU A 67 4.841 -3.354 11.113 1.00 21.42 O ATOM 0 H GLU A 67 4.807 -0.834 6.357 1.00 2.30 H new ATOM 0 HA GLU A 67 7.108 -2.471 6.032 1.00 62.14 H new ATOM 0 HB2 GLU A 67 7.121 -2.845 8.317 1.00 54.10 H new ATOM 0 HB3 GLU A 67 6.584 -1.191 8.095 1.00 54.10 H new ATOM 0 HG2 GLU A 67 4.315 -1.746 8.688 1.00 72.43 H new ATOM 0 HG3 GLU A 67 4.637 -3.467 8.602 1.00 72.43 H new ATOM 1147 N ARG A 68 4.150 -3.996 6.097 1.00 3.24 N ATOM 1148 CA ARG A 68 3.468 -5.271 5.736 1.00 4.42 C ATOM 1149 C ARG A 68 3.916 -5.770 4.340 1.00 31.30 C ATOM 1150 O ARG A 68 4.223 -6.959 4.168 1.00 42.14 O ATOM 1151 CB ARG A 68 1.916 -5.095 5.740 1.00 42.23 C ATOM 1152 CG ARG A 68 1.270 -4.801 7.117 1.00 51.33 C ATOM 1153 CD ARG A 68 0.970 -6.058 7.954 1.00 15.11 C ATOM 1154 NE ARG A 68 2.165 -6.774 8.442 1.00 4.01 N ATOM 1155 CZ ARG A 68 2.138 -7.987 9.034 1.00 2.00 C ATOM 1156 NH1 ARG A 68 0.984 -8.647 9.206 1.00 62.35 N ATOM 1157 NH2 ARG A 68 3.259 -8.526 9.494 1.00 23.02 N ATOM 0 H ARG A 68 3.513 -3.221 6.282 1.00 3.24 H new ATOM 0 HA ARG A 68 3.750 -6.009 6.487 1.00 4.42 H new ATOM 0 HB2 ARG A 68 1.661 -4.282 5.060 1.00 42.23 H new ATOM 0 HB3 ARG A 68 1.466 -6.002 5.336 1.00 42.23 H new ATOM 0 HG2 ARG A 68 1.934 -4.149 7.685 1.00 51.33 H new ATOM 0 HG3 ARG A 68 0.341 -4.252 6.960 1.00 51.33 H new ATOM 0 HD2 ARG A 68 0.360 -5.770 8.811 1.00 15.11 H new ATOM 0 HD3 ARG A 68 0.372 -6.744 7.353 1.00 15.11 H new ATOM 0 HE ARG A 68 3.072 -6.322 8.324 1.00 4.01 H new ATOM 0 HH11 ARG A 68 0.108 -8.234 8.888 1.00 62.35 H new ATOM 0 HH12 ARG A 68 0.982 -9.563 9.655 1.00 62.35 H new ATOM 0 HH21 ARG A 68 4.142 -8.024 9.401 1.00 23.02 H new ATOM 0 HH22 ARG A 68 3.238 -9.442 9.941 1.00 23.02 H new ATOM 1171 N ILE A 69 3.947 -4.835 3.365 1.00 5.42 N ATOM 1172 CA ILE A 69 4.311 -5.121 1.960 1.00 51.34 C ATOM 1173 C ILE A 69 5.787 -5.557 1.866 1.00 23.43 C ATOM 1174 O ILE A 69 6.096 -6.599 1.272 1.00 35.33 O ATOM 1175 CB ILE A 69 4.056 -3.863 1.029 1.00 65.22 C ATOM 1176 CG1 ILE A 69 2.566 -3.402 1.128 1.00 51.41 C ATOM 1177 CG2 ILE A 69 4.445 -4.153 -0.448 1.00 42.13 C ATOM 1178 CD1 ILE A 69 2.235 -2.115 0.387 1.00 34.23 C ATOM 0 H ILE A 69 3.719 -3.855 3.532 1.00 5.42 H new ATOM 0 HA ILE A 69 3.675 -5.935 1.611 1.00 51.34 H new ATOM 0 HB ILE A 69 4.696 -3.055 1.383 1.00 65.22 H new ATOM 0 HG12 ILE A 69 1.930 -4.198 0.742 1.00 51.41 H new ATOM 0 HG13 ILE A 69 2.312 -3.272 2.180 1.00 51.41 H new ATOM 0 HG21 ILE A 69 4.256 -3.267 -1.055 1.00 42.13 H new ATOM 0 HG22 ILE A 69 5.503 -4.411 -0.502 1.00 42.13 H new ATOM 0 HG23 ILE A 69 3.849 -4.985 -0.825 1.00 42.13 H new ATOM 0 HD11 ILE A 69 1.178 -1.882 0.517 1.00 34.23 H new ATOM 0 HD12 ILE A 69 2.839 -1.300 0.786 1.00 34.23 H new ATOM 0 HD13 ILE A 69 2.451 -2.240 -0.674 1.00 34.23 H new ATOM 1190 N ARG A 70 6.685 -4.775 2.516 1.00 43.12 N ATOM 1191 CA ARG A 70 8.143 -5.018 2.461 1.00 42.14 C ATOM 1192 C ARG A 70 8.503 -6.363 3.122 1.00 25.34 C ATOM 1193 O ARG A 70 9.432 -7.044 2.685 1.00 12.13 O ATOM 1194 CB ARG A 70 8.964 -3.876 3.118 1.00 1.23 C ATOM 1195 CG ARG A 70 8.928 -3.827 4.660 1.00 43.54 C ATOM 1196 CD ARG A 70 9.862 -2.764 5.260 1.00 44.32 C ATOM 1197 NE ARG A 70 11.260 -3.022 4.909 1.00 3.45 N ATOM 1198 CZ ARG A 70 12.287 -2.185 5.090 1.00 63.01 C ATOM 1199 NH1 ARG A 70 12.125 -0.975 5.631 1.00 2.40 N ATOM 1200 NH2 ARG A 70 13.500 -2.587 4.748 1.00 4.43 N ATOM 0 H ARG A 70 6.421 -3.970 3.084 1.00 43.12 H new ATOM 0 HA ARG A 70 8.408 -5.050 1.404 1.00 42.14 H new ATOM 0 HB2 ARG A 70 10.002 -3.971 2.800 1.00 1.23 H new ATOM 0 HB3 ARG A 70 8.599 -2.924 2.734 1.00 1.23 H new ATOM 0 HG2 ARG A 70 7.907 -3.628 4.986 1.00 43.54 H new ATOM 0 HG3 ARG A 70 9.203 -4.805 5.054 1.00 43.54 H new ATOM 0 HD2 ARG A 70 9.571 -1.777 4.900 1.00 44.32 H new ATOM 0 HD3 ARG A 70 9.754 -2.753 6.345 1.00 44.32 H new ATOM 0 HE ARG A 70 11.470 -3.926 4.486 1.00 3.45 H new ATOM 0 HH11 ARG A 70 11.197 -0.666 5.920 1.00 2.40 H new ATOM 0 HH12 ARG A 70 12.929 -0.360 5.756 1.00 2.40 H new ATOM 0 HH21 ARG A 70 13.637 -3.518 4.355 1.00 4.43 H new ATOM 0 HH22 ARG A 70 14.298 -1.966 4.877 1.00 4.43 H new ATOM 1214 N GLU A 71 7.724 -6.741 4.168 1.00 1.51 N ATOM 1215 CA GLU A 71 7.852 -8.053 4.819 1.00 21.34 C ATOM 1216 C GLU A 71 7.665 -9.150 3.774 1.00 30.33 C ATOM 1217 O GLU A 71 8.485 -10.051 3.688 1.00 74.53 O ATOM 1218 CB GLU A 71 6.839 -8.219 5.994 1.00 44.24 C ATOM 1219 CG GLU A 71 7.194 -7.380 7.235 1.00 71.35 C ATOM 1220 CD GLU A 71 6.167 -7.470 8.366 1.00 31.25 C ATOM 1221 OE1 GLU A 71 6.262 -8.402 9.201 1.00 3.03 O ATOM 1222 OE2 GLU A 71 5.259 -6.615 8.435 1.00 54.12 O ATOM 0 H GLU A 71 7.001 -6.147 4.573 1.00 1.51 H new ATOM 0 HA GLU A 71 8.849 -8.131 5.253 1.00 21.34 H new ATOM 0 HB2 GLU A 71 5.844 -7.938 5.648 1.00 44.24 H new ATOM 0 HB3 GLU A 71 6.793 -9.271 6.277 1.00 44.24 H new ATOM 0 HG2 GLU A 71 8.164 -7.703 7.613 1.00 71.35 H new ATOM 0 HG3 GLU A 71 7.299 -6.337 6.937 1.00 71.35 H new ATOM 1229 N LYS A 72 6.647 -8.976 2.900 1.00 73.14 N ATOM 1230 CA LYS A 72 6.296 -9.978 1.879 1.00 32.42 C ATOM 1231 C LYS A 72 7.397 -10.080 0.808 1.00 62.22 C ATOM 1232 O LYS A 72 7.793 -11.183 0.446 1.00 73.33 O ATOM 1233 CB LYS A 72 4.924 -9.671 1.209 1.00 55.23 C ATOM 1234 CG LYS A 72 3.727 -9.520 2.178 1.00 31.32 C ATOM 1235 CD LYS A 72 3.751 -10.536 3.364 1.00 23.52 C ATOM 1236 CE LYS A 72 2.391 -10.654 4.065 1.00 62.00 C ATOM 1237 NZ LYS A 72 1.419 -11.370 3.199 1.00 11.14 N ATOM 0 H LYS A 72 6.055 -8.146 2.886 1.00 73.14 H new ATOM 0 HA LYS A 72 6.210 -10.937 2.391 1.00 32.42 H new ATOM 0 HB2 LYS A 72 5.019 -8.752 0.631 1.00 55.23 H new ATOM 0 HB3 LYS A 72 4.698 -10.469 0.502 1.00 55.23 H new ATOM 0 HG2 LYS A 72 3.720 -8.506 2.579 1.00 31.32 H new ATOM 0 HG3 LYS A 72 2.800 -9.648 1.620 1.00 31.32 H new ATOM 0 HD2 LYS A 72 4.051 -11.516 2.993 1.00 23.52 H new ATOM 0 HD3 LYS A 72 4.504 -10.226 4.089 1.00 23.52 H new ATOM 0 HE2 LYS A 72 2.507 -11.187 5.009 1.00 62.00 H new ATOM 0 HE3 LYS A 72 2.011 -9.661 4.304 1.00 62.00 H new ATOM 0 HZ1 LYS A 72 0.495 -11.411 3.675 1.00 11.14 H new ATOM 0 HZ2 LYS A 72 1.321 -10.865 2.295 1.00 11.14 H new ATOM 0 HZ3 LYS A 72 1.760 -12.336 3.020 1.00 11.14 H new ATOM 1251 N ILE A 73 7.922 -8.921 0.351 1.00 62.14 N ATOM 1252 CA ILE A 73 8.954 -8.882 -0.722 1.00 54.45 C ATOM 1253 C ILE A 73 10.275 -9.529 -0.223 1.00 33.32 C ATOM 1254 O ILE A 73 11.036 -10.111 -1.006 1.00 73.41 O ATOM 1255 CB ILE A 73 9.182 -7.403 -1.303 1.00 10.13 C ATOM 1256 CG1 ILE A 73 10.073 -6.461 -0.393 1.00 71.52 C ATOM 1257 CG2 ILE A 73 7.813 -6.725 -1.576 1.00 1.45 C ATOM 1258 CD1 ILE A 73 11.557 -6.397 -0.753 1.00 12.15 C ATOM 0 H ILE A 73 7.653 -8.002 0.703 1.00 62.14 H new ATOM 0 HA ILE A 73 8.585 -9.472 -1.561 1.00 54.45 H new ATOM 0 HB ILE A 73 9.743 -7.537 -2.228 1.00 10.13 H new ATOM 0 HG12 ILE A 73 9.664 -5.452 -0.438 1.00 71.52 H new ATOM 0 HG13 ILE A 73 9.983 -6.796 0.641 1.00 71.52 H new ATOM 0 HG21 ILE A 73 7.976 -5.722 -1.970 1.00 1.45 H new ATOM 0 HG22 ILE A 73 7.254 -7.314 -2.303 1.00 1.45 H new ATOM 0 HG23 ILE A 73 7.246 -6.662 -0.647 1.00 1.45 H new ATOM 0 HD11 ILE A 73 12.069 -5.724 -0.066 1.00 12.15 H new ATOM 0 HD12 ILE A 73 11.993 -7.393 -0.678 1.00 12.15 H new ATOM 0 HD13 ILE A 73 11.668 -6.028 -1.773 1.00 12.15 H new ATOM 1270 N GLU A 74 10.503 -9.441 1.109 1.00 61.31 N ATOM 1271 CA GLU A 74 11.693 -10.003 1.793 1.00 12.15 C ATOM 1272 C GLU A 74 11.512 -11.486 2.197 1.00 70.43 C ATOM 1273 O GLU A 74 12.507 -12.211 2.316 1.00 32.10 O ATOM 1274 CB GLU A 74 12.055 -9.120 3.014 1.00 24.02 C ATOM 1275 CG GLU A 74 12.526 -7.697 2.623 1.00 4.20 C ATOM 1276 CD GLU A 74 12.776 -6.777 3.826 1.00 24.51 C ATOM 1277 OE1 GLU A 74 13.739 -7.025 4.586 1.00 21.31 O ATOM 1278 OE2 GLU A 74 12.030 -5.797 4.011 1.00 54.42 O ATOM 0 H GLU A 74 9.859 -8.973 1.746 1.00 61.31 H new ATOM 0 HA GLU A 74 12.521 -9.992 1.084 1.00 12.15 H new ATOM 0 HB2 GLU A 74 11.186 -9.041 3.667 1.00 24.02 H new ATOM 0 HB3 GLU A 74 12.841 -9.610 3.588 1.00 24.02 H new ATOM 0 HG2 GLU A 74 13.444 -7.775 2.040 1.00 4.20 H new ATOM 0 HG3 GLU A 74 11.776 -7.240 1.977 1.00 4.20 H new ATOM 1285 N ARG A 75 10.257 -11.930 2.427 1.00 11.40 N ATOM 1286 CA ARG A 75 9.952 -13.354 2.734 1.00 24.13 C ATOM 1287 C ARG A 75 10.030 -14.186 1.450 1.00 33.44 C ATOM 1288 O ARG A 75 10.663 -15.242 1.407 1.00 3.11 O ATOM 1289 CB ARG A 75 8.530 -13.509 3.357 1.00 45.24 C ATOM 1290 CG ARG A 75 8.351 -12.859 4.748 1.00 1.24 C ATOM 1291 CD ARG A 75 6.882 -12.825 5.219 1.00 62.31 C ATOM 1292 NE ARG A 75 6.673 -11.923 6.372 1.00 12.33 N ATOM 1293 CZ ARG A 75 5.488 -11.740 6.993 1.00 61.34 C ATOM 1294 NH1 ARG A 75 4.396 -12.398 6.591 1.00 41.30 N ATOM 1295 NH2 ARG A 75 5.389 -10.883 8.003 1.00 24.52 N ATOM 0 H ARG A 75 9.435 -11.326 2.407 1.00 11.40 H new ATOM 0 HA ARG A 75 10.687 -13.707 3.457 1.00 24.13 H new ATOM 0 HB2 ARG A 75 7.801 -13.074 2.673 1.00 45.24 H new ATOM 0 HB3 ARG A 75 8.299 -14.571 3.437 1.00 45.24 H new ATOM 0 HG2 ARG A 75 8.947 -13.407 5.477 1.00 1.24 H new ATOM 0 HG3 ARG A 75 8.740 -11.841 4.719 1.00 1.24 H new ATOM 0 HD2 ARG A 75 6.247 -12.505 4.393 1.00 62.31 H new ATOM 0 HD3 ARG A 75 6.568 -13.833 5.490 1.00 62.31 H new ATOM 0 HE ARG A 75 7.478 -11.404 6.722 1.00 12.33 H new ATOM 0 HH11 ARG A 75 4.452 -13.047 5.806 1.00 41.30 H new ATOM 0 HH12 ARG A 75 3.507 -12.251 7.069 1.00 41.30 H new ATOM 0 HH21 ARG A 75 6.209 -10.361 8.311 1.00 24.52 H new ATOM 0 HH22 ARG A 75 4.493 -10.747 8.470 1.00 24.52 H new ATOM 1309 N GLU A 76 9.408 -13.648 0.395 1.00 51.45 N ATOM 1310 CA GLU A 76 9.265 -14.327 -0.897 1.00 0.04 C ATOM 1311 C GLU A 76 10.584 -14.343 -1.666 1.00 41.42 C ATOM 1312 O GLU A 76 10.839 -15.262 -2.460 1.00 25.54 O ATOM 1313 CB GLU A 76 8.158 -13.626 -1.727 1.00 53.44 C ATOM 1314 CG GLU A 76 6.752 -13.720 -1.093 1.00 24.22 C ATOM 1315 CD GLU A 76 6.303 -15.166 -0.873 1.00 63.10 C ATOM 1316 OE1 GLU A 76 6.173 -15.901 -1.870 1.00 41.32 O ATOM 1317 OE2 GLU A 76 6.097 -15.577 0.288 1.00 42.41 O ATOM 0 H GLU A 76 8.986 -12.720 0.415 1.00 51.45 H new ATOM 0 HA GLU A 76 8.981 -15.364 -0.716 1.00 0.04 H new ATOM 0 HB2 GLU A 76 8.421 -12.576 -1.852 1.00 53.44 H new ATOM 0 HB3 GLU A 76 8.128 -14.068 -2.723 1.00 53.44 H new ATOM 0 HG2 GLU A 76 6.752 -13.194 -0.138 1.00 24.22 H new ATOM 0 HG3 GLU A 76 6.032 -13.214 -1.736 1.00 24.22 H new ATOM 1324 N GLY A 77 11.412 -13.314 -1.430 1.00 31.22 N ATOM 1325 CA GLY A 77 12.693 -13.175 -2.103 1.00 2.22 C ATOM 1326 C GLY A 77 12.555 -12.494 -3.448 1.00 60.13 C ATOM 1327 O GLY A 77 13.145 -11.450 -3.661 1.00 53.54 O ATOM 0 H GLY A 77 11.206 -12.564 -0.770 1.00 31.22 H new ATOM 0 HA2 GLY A 77 13.373 -12.601 -1.474 1.00 2.22 H new ATOM 0 HA3 GLY A 77 13.140 -14.160 -2.239 1.00 2.22 H new ATOM 1331 N SER A 78 11.735 -13.086 -4.333 1.00 74.12 N ATOM 1332 CA SER A 78 11.459 -12.575 -5.688 1.00 60.41 C ATOM 1333 C SER A 78 11.029 -11.090 -5.700 1.00 32.14 C ATOM 1334 O SER A 78 10.266 -10.650 -4.831 1.00 70.12 O ATOM 1335 CB SER A 78 10.351 -13.441 -6.335 1.00 13.33 C ATOM 1336 OG SER A 78 10.742 -14.796 -6.414 1.00 71.12 O ATOM 0 H SER A 78 11.235 -13.950 -4.123 1.00 74.12 H new ATOM 0 HA SER A 78 12.387 -12.638 -6.256 1.00 60.41 H new ATOM 0 HB2 SER A 78 9.434 -13.358 -5.752 1.00 13.33 H new ATOM 0 HB3 SER A 78 10.129 -13.065 -7.334 1.00 13.33 H new ATOM 0 HG SER A 78 10.099 -15.290 -6.964 1.00 71.12 H new ATOM 1342 N SER A 79 11.532 -10.342 -6.707 1.00 63.44 N ATOM 1343 CA SER A 79 11.125 -8.942 -6.970 1.00 13.32 C ATOM 1344 C SER A 79 9.762 -8.905 -7.703 1.00 72.11 C ATOM 1345 O SER A 79 9.270 -7.825 -8.038 1.00 4.40 O ATOM 1346 CB SER A 79 12.214 -8.216 -7.808 1.00 22.23 C ATOM 1347 OG SER A 79 11.990 -6.814 -7.900 1.00 15.22 O ATOM 0 H SER A 79 12.232 -10.691 -7.361 1.00 63.44 H new ATOM 0 HA SER A 79 11.017 -8.424 -6.017 1.00 13.32 H new ATOM 0 HB2 SER A 79 13.191 -8.395 -7.360 1.00 22.23 H new ATOM 0 HB3 SER A 79 12.240 -8.643 -8.811 1.00 22.23 H new ATOM 0 HG SER A 79 11.030 -6.642 -7.995 1.00 15.22 H new ATOM 1353 N GLU A 80 9.184 -10.103 -7.971 1.00 63.25 N ATOM 1354 CA GLU A 80 7.840 -10.274 -8.539 1.00 1.42 C ATOM 1355 C GLU A 80 6.767 -9.730 -7.566 1.00 71.21 C ATOM 1356 O GLU A 80 6.251 -10.461 -6.728 1.00 64.52 O ATOM 1357 CB GLU A 80 7.602 -11.784 -8.872 1.00 41.21 C ATOM 1358 CG GLU A 80 6.209 -12.133 -9.450 1.00 63.54 C ATOM 1359 CD GLU A 80 5.814 -11.273 -10.668 1.00 34.35 C ATOM 1360 OE1 GLU A 80 6.167 -11.632 -11.809 1.00 34.13 O ATOM 1361 OE2 GLU A 80 5.139 -10.234 -10.489 1.00 24.10 O ATOM 0 H GLU A 80 9.656 -10.989 -7.792 1.00 63.25 H new ATOM 0 HA GLU A 80 7.760 -9.702 -9.463 1.00 1.42 H new ATOM 0 HB2 GLU A 80 8.361 -12.104 -9.586 1.00 41.21 H new ATOM 0 HB3 GLU A 80 7.754 -12.366 -7.963 1.00 41.21 H new ATOM 0 HG2 GLU A 80 6.197 -13.184 -9.739 1.00 63.54 H new ATOM 0 HG3 GLU A 80 5.459 -12.008 -8.669 1.00 63.54 H new ATOM 1368 N VAL A 81 6.485 -8.419 -7.668 1.00 61.21 N ATOM 1369 CA VAL A 81 5.567 -7.691 -6.762 1.00 71.42 C ATOM 1370 C VAL A 81 4.606 -6.820 -7.595 1.00 24.42 C ATOM 1371 O VAL A 81 5.008 -6.244 -8.613 1.00 72.33 O ATOM 1372 CB VAL A 81 6.359 -6.770 -5.740 1.00 33.43 C ATOM 1373 CG1 VAL A 81 5.415 -6.103 -4.706 1.00 64.01 C ATOM 1374 CG2 VAL A 81 7.494 -7.547 -5.035 1.00 53.15 C ATOM 0 H VAL A 81 6.891 -7.824 -8.390 1.00 61.21 H new ATOM 0 HA VAL A 81 5.007 -8.429 -6.188 1.00 71.42 H new ATOM 0 HB VAL A 81 6.815 -5.972 -6.326 1.00 33.43 H new ATOM 0 HG11 VAL A 81 6.000 -5.482 -4.027 1.00 64.01 H new ATOM 0 HG12 VAL A 81 4.685 -5.483 -5.227 1.00 64.01 H new ATOM 0 HG13 VAL A 81 4.896 -6.874 -4.137 1.00 64.01 H new ATOM 0 HG21 VAL A 81 8.014 -6.884 -4.343 1.00 53.15 H new ATOM 0 HG22 VAL A 81 7.072 -8.388 -4.484 1.00 53.15 H new ATOM 0 HG23 VAL A 81 8.198 -7.918 -5.780 1.00 53.15 H new ATOM 1384 N GLU A 82 3.340 -6.742 -7.152 1.00 14.52 N ATOM 1385 CA GLU A 82 2.307 -5.891 -7.750 1.00 34.02 C ATOM 1386 C GLU A 82 1.422 -5.324 -6.619 1.00 61.02 C ATOM 1387 O GLU A 82 0.606 -6.050 -6.045 1.00 32.31 O ATOM 1388 CB GLU A 82 1.450 -6.711 -8.747 1.00 65.24 C ATOM 1389 CG GLU A 82 0.323 -5.906 -9.440 1.00 42.30 C ATOM 1390 CD GLU A 82 -0.683 -6.804 -10.169 1.00 55.24 C ATOM 1391 OE1 GLU A 82 -0.604 -6.948 -11.406 1.00 21.32 O ATOM 1392 OE2 GLU A 82 -1.547 -7.397 -9.492 1.00 11.43 O ATOM 0 H GLU A 82 3.003 -7.280 -6.353 1.00 14.52 H new ATOM 0 HA GLU A 82 2.772 -5.072 -8.298 1.00 34.02 H new ATOM 0 HB2 GLU A 82 2.105 -7.127 -9.512 1.00 65.24 H new ATOM 0 HB3 GLU A 82 1.004 -7.553 -8.217 1.00 65.24 H new ATOM 0 HG2 GLU A 82 -0.203 -5.309 -8.695 1.00 42.30 H new ATOM 0 HG3 GLU A 82 0.765 -5.209 -10.152 1.00 42.30 H new ATOM 1399 N VAL A 83 1.585 -4.032 -6.297 1.00 34.54 N ATOM 1400 CA VAL A 83 0.824 -3.369 -5.222 1.00 60.51 C ATOM 1401 C VAL A 83 -0.328 -2.559 -5.841 1.00 44.24 C ATOM 1402 O VAL A 83 -0.095 -1.561 -6.518 1.00 44.22 O ATOM 1403 CB VAL A 83 1.744 -2.418 -4.363 1.00 14.01 C ATOM 1404 CG1 VAL A 83 0.962 -1.798 -3.179 1.00 62.31 C ATOM 1405 CG2 VAL A 83 3.012 -3.155 -3.872 1.00 63.54 C ATOM 0 H VAL A 83 2.246 -3.417 -6.772 1.00 34.54 H new ATOM 0 HA VAL A 83 0.428 -4.138 -4.558 1.00 60.51 H new ATOM 0 HB VAL A 83 2.067 -1.602 -5.009 1.00 14.01 H new ATOM 0 HG11 VAL A 83 1.624 -1.148 -2.607 1.00 62.31 H new ATOM 0 HG12 VAL A 83 0.124 -1.216 -3.562 1.00 62.31 H new ATOM 0 HG13 VAL A 83 0.588 -2.593 -2.534 1.00 62.31 H new ATOM 0 HG21 VAL A 83 3.625 -2.472 -3.283 1.00 63.54 H new ATOM 0 HG22 VAL A 83 2.722 -4.006 -3.256 1.00 63.54 H new ATOM 0 HG23 VAL A 83 3.584 -3.507 -4.731 1.00 63.54 H new ATOM 1415 N ASN A 84 -1.568 -3.008 -5.610 1.00 73.11 N ATOM 1416 CA ASN A 84 -2.782 -2.335 -6.097 1.00 31.04 C ATOM 1417 C ASN A 84 -3.392 -1.556 -4.929 1.00 34.43 C ATOM 1418 O ASN A 84 -3.990 -2.149 -4.026 1.00 44.25 O ATOM 1419 CB ASN A 84 -3.801 -3.389 -6.629 1.00 43.21 C ATOM 1420 CG ASN A 84 -3.210 -4.302 -7.710 1.00 4.30 C ATOM 1421 OD1 ASN A 84 -3.316 -4.025 -8.907 1.00 21.44 O ATOM 1422 ND2 ASN A 84 -2.568 -5.387 -7.293 1.00 34.12 N ATOM 0 H ASN A 84 -1.760 -3.855 -5.076 1.00 73.11 H new ATOM 0 HA ASN A 84 -2.536 -1.657 -6.914 1.00 31.04 H new ATOM 0 HB2 ASN A 84 -4.151 -4.000 -5.797 1.00 43.21 H new ATOM 0 HB3 ASN A 84 -4.671 -2.873 -7.034 1.00 43.21 H new ATOM 0 HD21 ASN A 84 -2.144 -6.021 -7.971 1.00 34.12 H new ATOM 0 HD22 ASN A 84 -2.499 -5.587 -6.295 1.00 34.12 H new ATOM 1429 N VAL A 85 -3.235 -0.228 -4.943 1.00 14.51 N ATOM 1430 CA VAL A 85 -3.772 0.651 -3.896 1.00 35.13 C ATOM 1431 C VAL A 85 -5.123 1.207 -4.363 1.00 44.43 C ATOM 1432 O VAL A 85 -5.202 1.876 -5.395 1.00 54.24 O ATOM 1433 CB VAL A 85 -2.781 1.823 -3.545 1.00 40.02 C ATOM 1434 CG1 VAL A 85 -3.356 2.737 -2.432 1.00 63.20 C ATOM 1435 CG2 VAL A 85 -1.392 1.266 -3.146 1.00 23.45 C ATOM 0 H VAL A 85 -2.733 0.268 -5.679 1.00 14.51 H new ATOM 0 HA VAL A 85 -3.903 0.068 -2.985 1.00 35.13 H new ATOM 0 HB VAL A 85 -2.658 2.434 -4.439 1.00 40.02 H new ATOM 0 HG11 VAL A 85 -2.647 3.535 -2.214 1.00 63.20 H new ATOM 0 HG12 VAL A 85 -4.298 3.170 -2.768 1.00 63.20 H new ATOM 0 HG13 VAL A 85 -3.528 2.149 -1.531 1.00 63.20 H new ATOM 0 HG21 VAL A 85 -0.723 2.093 -2.908 1.00 23.45 H new ATOM 0 HG22 VAL A 85 -1.496 0.620 -2.274 1.00 23.45 H new ATOM 0 HG23 VAL A 85 -0.978 0.692 -3.975 1.00 23.45 H new ATOM 1445 N HIS A 86 -6.179 0.877 -3.619 1.00 2.13 N ATOM 1446 CA HIS A 86 -7.549 1.322 -3.900 1.00 40.15 C ATOM 1447 C HIS A 86 -7.905 2.458 -2.935 1.00 21.13 C ATOM 1448 O HIS A 86 -7.397 2.486 -1.817 1.00 54.33 O ATOM 1449 CB HIS A 86 -8.533 0.147 -3.722 1.00 4.13 C ATOM 1450 CG HIS A 86 -8.246 -1.058 -4.590 1.00 12.21 C ATOM 1451 ND1 HIS A 86 -8.846 -1.258 -5.812 1.00 0.22 N ATOM 1452 CD2 HIS A 86 -7.447 -2.144 -4.393 1.00 73.04 C ATOM 1453 CE1 HIS A 86 -8.439 -2.401 -6.320 1.00 72.22 C ATOM 1454 NE2 HIS A 86 -7.591 -2.955 -5.485 1.00 52.23 N ATOM 0 H HIS A 86 -6.108 0.285 -2.792 1.00 2.13 H new ATOM 0 HA HIS A 86 -7.619 1.677 -4.928 1.00 40.15 H new ATOM 0 HB2 HIS A 86 -8.520 -0.164 -2.677 1.00 4.13 H new ATOM 0 HB3 HIS A 86 -9.541 0.500 -3.937 1.00 4.13 H new ATOM 0 HD2 HIS A 86 -6.818 -2.330 -3.535 1.00 73.04 H new ATOM 0 HE1 HIS A 86 -8.751 -2.815 -7.267 1.00 72.22 H new ATOM 0 HE2 HIS A 86 -7.116 -3.846 -5.628 1.00 52.23 H new ATOM 1463 N SER A 87 -8.744 3.402 -3.381 1.00 54.33 N ATOM 1464 CA SER A 87 -9.245 4.494 -2.523 1.00 21.11 C ATOM 1465 C SER A 87 -10.540 5.075 -3.104 1.00 74.53 C ATOM 1466 O SER A 87 -10.503 5.779 -4.125 1.00 5.44 O ATOM 1467 CB SER A 87 -8.177 5.590 -2.364 1.00 14.15 C ATOM 1468 OG SER A 87 -7.777 6.099 -3.622 1.00 74.32 O ATOM 0 H SER A 87 -9.095 3.435 -4.338 1.00 54.33 H new ATOM 0 HA SER A 87 -9.463 4.089 -1.535 1.00 21.11 H new ATOM 0 HB2 SER A 87 -8.571 6.399 -1.750 1.00 14.15 H new ATOM 0 HB3 SER A 87 -7.311 5.185 -1.840 1.00 14.15 H new ATOM 0 HG SER A 87 -8.284 6.914 -3.821 1.00 74.32 H new ATOM 1474 N GLY A 88 -11.679 4.763 -2.461 1.00 32.21 N ATOM 1475 CA GLY A 88 -12.991 5.204 -2.935 1.00 22.21 C ATOM 1476 C GLY A 88 -13.429 4.457 -4.201 1.00 63.33 C ATOM 1477 O GLY A 88 -14.278 3.559 -4.145 1.00 25.31 O ATOM 0 H GLY A 88 -11.711 4.204 -1.608 1.00 32.21 H new ATOM 0 HA2 GLY A 88 -13.730 5.049 -2.149 1.00 22.21 H new ATOM 0 HA3 GLY A 88 -12.961 6.274 -3.138 1.00 22.21 H new ATOM 1481 N GLY A 89 -12.824 4.824 -5.340 1.00 41.34 N ATOM 1482 CA GLY A 89 -12.985 4.106 -6.610 1.00 43.22 C ATOM 1483 C GLY A 89 -11.770 4.279 -7.513 1.00 73.00 C ATOM 1484 O GLY A 89 -11.888 4.236 -8.737 1.00 44.34 O ATOM 0 H GLY A 89 -12.206 5.633 -5.405 1.00 41.34 H new ATOM 0 HA2 GLY A 89 -13.143 3.046 -6.411 1.00 43.22 H new ATOM 0 HA3 GLY A 89 -13.875 4.470 -7.124 1.00 43.22 H new ATOM 1488 N GLN A 90 -10.593 4.482 -6.888 1.00 5.20 N ATOM 1489 CA GLN A 90 -9.321 4.755 -7.589 1.00 24.05 C ATOM 1490 C GLN A 90 -8.330 3.606 -7.342 1.00 14.11 C ATOM 1491 O GLN A 90 -7.985 3.346 -6.195 1.00 33.25 O ATOM 1492 CB GLN A 90 -8.720 6.074 -7.040 1.00 63.11 C ATOM 1493 CG GLN A 90 -9.580 7.330 -7.273 1.00 21.21 C ATOM 1494 CD GLN A 90 -9.045 8.593 -6.577 1.00 41.14 C ATOM 1495 OE1 GLN A 90 -8.497 8.456 -5.372 1.00 31.41 O flip ATOM 1496 NE2 GLN A 90 -9.181 9.698 -7.097 1.00 42.14 N flip ATOM 0 H GLN A 90 -10.497 4.461 -5.873 1.00 5.20 H new ATOM 0 HA GLN A 90 -9.507 4.843 -8.659 1.00 24.05 H new ATOM 0 HB2 GLN A 90 -8.553 5.961 -5.969 1.00 63.11 H new ATOM 0 HB3 GLN A 90 -7.744 6.230 -7.500 1.00 63.11 H new ATOM 0 HG2 GLN A 90 -9.646 7.519 -8.345 1.00 21.21 H new ATOM 0 HG3 GLN A 90 -10.593 7.135 -6.920 1.00 21.21 H new ATOM 0 HE21 GLN A 90 -9.604 9.778 -8.022 1.00 42.14 H new ATOM 0 HE22 GLN A 90 -8.871 10.535 -6.604 1.00 42.14 H new ATOM 1505 N THR A 91 -7.847 2.963 -8.416 1.00 74.43 N ATOM 1506 CA THR A 91 -6.928 1.807 -8.340 1.00 25.23 C ATOM 1507 C THR A 91 -5.606 2.147 -9.053 1.00 75.51 C ATOM 1508 O THR A 91 -5.609 2.422 -10.257 1.00 52.34 O ATOM 1509 CB THR A 91 -7.570 0.536 -9.008 1.00 73.11 C ATOM 1510 OG1 THR A 91 -8.826 0.241 -8.374 1.00 23.24 O ATOM 1511 CG2 THR A 91 -6.648 -0.706 -8.930 1.00 71.22 C ATOM 0 H THR A 91 -8.083 3.230 -9.372 1.00 74.43 H new ATOM 0 HA THR A 91 -6.736 1.589 -7.289 1.00 25.23 H new ATOM 0 HB THR A 91 -7.719 0.765 -10.063 1.00 73.11 H new ATOM 0 HG1 THR A 91 -8.663 -0.185 -7.507 1.00 23.24 H new ATOM 0 HG21 THR A 91 -7.140 -1.555 -9.406 1.00 71.22 H new ATOM 0 HG22 THR A 91 -5.710 -0.496 -9.444 1.00 71.22 H new ATOM 0 HG23 THR A 91 -6.445 -0.943 -7.886 1.00 71.22 H new ATOM 1519 N TRP A 92 -4.491 2.152 -8.300 1.00 73.42 N ATOM 1520 CA TRP A 92 -3.136 2.320 -8.859 1.00 65.15 C ATOM 1521 C TRP A 92 -2.384 0.987 -8.780 1.00 2.40 C ATOM 1522 O TRP A 92 -2.117 0.493 -7.682 1.00 23.30 O ATOM 1523 CB TRP A 92 -2.361 3.413 -8.086 1.00 42.23 C ATOM 1524 CG TRP A 92 -2.994 4.778 -8.167 1.00 52.12 C ATOM 1525 CD1 TRP A 92 -2.828 5.709 -9.150 1.00 35.13 C ATOM 1526 CD2 TRP A 92 -3.895 5.357 -7.222 1.00 42.43 C ATOM 1527 NE1 TRP A 92 -3.573 6.825 -8.873 1.00 23.43 N ATOM 1528 CE2 TRP A 92 -4.225 6.638 -7.686 1.00 43.15 C ATOM 1529 CE3 TRP A 92 -4.441 4.914 -6.022 1.00 62.33 C ATOM 1530 CZ2 TRP A 92 -5.082 7.482 -6.994 1.00 12.42 C ATOM 1531 CZ3 TRP A 92 -5.284 5.745 -5.336 1.00 3.11 C ATOM 1532 CH2 TRP A 92 -5.596 7.021 -5.819 1.00 13.45 C ATOM 0 H TRP A 92 -4.503 2.040 -7.286 1.00 73.42 H new ATOM 0 HA TRP A 92 -3.218 2.630 -9.901 1.00 65.15 H new ATOM 0 HB2 TRP A 92 -2.284 3.120 -7.039 1.00 42.23 H new ATOM 0 HB3 TRP A 92 -1.345 3.470 -8.476 1.00 42.23 H new ATOM 0 HD1 TRP A 92 -2.201 5.585 -10.020 1.00 35.13 H new ATOM 0 HE1 TRP A 92 -3.632 7.659 -9.457 1.00 23.43 H new ATOM 0 HE3 TRP A 92 -4.204 3.932 -5.639 1.00 62.33 H new ATOM 0 HZ2 TRP A 92 -5.331 8.463 -7.371 1.00 12.42 H new ATOM 0 HZ3 TRP A 92 -5.717 5.410 -4.405 1.00 3.11 H new ATOM 0 HH2 TRP A 92 -6.259 7.654 -5.248 1.00 13.45 H new ATOM 1543 N THR A 93 -2.056 0.420 -9.946 1.00 62.45 N ATOM 1544 CA THR A 93 -1.319 -0.843 -10.053 1.00 4.54 C ATOM 1545 C THR A 93 0.186 -0.548 -10.219 1.00 32.11 C ATOM 1546 O THR A 93 0.633 -0.100 -11.285 1.00 13.00 O ATOM 1547 CB THR A 93 -1.866 -1.688 -11.256 1.00 44.20 C ATOM 1548 OG1 THR A 93 -3.279 -1.910 -11.081 1.00 24.52 O ATOM 1549 CG2 THR A 93 -1.164 -3.049 -11.402 1.00 73.20 C ATOM 0 H THR A 93 -2.297 0.828 -10.849 1.00 62.45 H new ATOM 0 HA THR A 93 -1.460 -1.426 -9.143 1.00 4.54 H new ATOM 0 HB THR A 93 -1.666 -1.117 -12.162 1.00 44.20 H new ATOM 0 HG1 THR A 93 -3.421 -2.578 -10.378 1.00 24.52 H new ATOM 0 HG21 THR A 93 -1.586 -3.587 -12.251 1.00 73.20 H new ATOM 0 HG22 THR A 93 -0.098 -2.893 -11.565 1.00 73.20 H new ATOM 0 HG23 THR A 93 -1.310 -3.633 -10.493 1.00 73.20 H new ATOM 1557 N PHE A 94 0.944 -0.755 -9.134 1.00 51.24 N ATOM 1558 CA PHE A 94 2.405 -0.621 -9.116 1.00 30.14 C ATOM 1559 C PHE A 94 3.026 -1.977 -9.438 1.00 65.10 C ATOM 1560 O PHE A 94 2.889 -2.918 -8.661 1.00 33.24 O ATOM 1561 CB PHE A 94 2.897 -0.138 -7.723 1.00 64.23 C ATOM 1562 CG PHE A 94 2.399 1.245 -7.336 1.00 74.13 C ATOM 1563 CD1 PHE A 94 3.102 2.387 -7.718 1.00 22.43 C ATOM 1564 CD2 PHE A 94 1.223 1.406 -6.604 1.00 53.42 C ATOM 1565 CE1 PHE A 94 2.648 3.640 -7.378 1.00 11.15 C ATOM 1566 CE2 PHE A 94 0.774 2.657 -6.264 1.00 13.02 C ATOM 1567 CZ PHE A 94 1.484 3.777 -6.654 1.00 12.10 C ATOM 0 H PHE A 94 0.553 -1.024 -8.231 1.00 51.24 H new ATOM 0 HA PHE A 94 2.705 0.118 -9.859 1.00 30.14 H new ATOM 0 HB2 PHE A 94 2.574 -0.854 -6.967 1.00 64.23 H new ATOM 0 HB3 PHE A 94 3.987 -0.136 -7.715 1.00 64.23 H new ATOM 0 HD1 PHE A 94 4.014 2.286 -8.288 1.00 22.43 H new ATOM 0 HD2 PHE A 94 0.659 0.536 -6.301 1.00 53.42 H new ATOM 0 HE1 PHE A 94 3.204 4.516 -7.678 1.00 11.15 H new ATOM 0 HE2 PHE A 94 -0.135 2.767 -5.691 1.00 13.02 H new ATOM 0 HZ PHE A 94 1.126 4.761 -6.391 1.00 12.10 H new ATOM 1577 N ASN A 95 3.688 -2.072 -10.587 1.00 1.13 N ATOM 1578 CA ASN A 95 4.442 -3.266 -10.976 1.00 1.15 C ATOM 1579 C ASN A 95 5.900 -3.000 -10.625 1.00 14.15 C ATOM 1580 O ASN A 95 6.478 -2.011 -11.098 1.00 13.40 O ATOM 1581 CB ASN A 95 4.283 -3.547 -12.490 1.00 14.45 C ATOM 1582 CG ASN A 95 2.823 -3.747 -12.899 1.00 21.50 C ATOM 1583 OD1 ASN A 95 2.131 -2.791 -13.247 1.00 62.53 O ATOM 1584 ND2 ASN A 95 2.331 -4.975 -12.838 1.00 74.12 N ATOM 0 H ASN A 95 3.719 -1.323 -11.279 1.00 1.13 H new ATOM 0 HA ASN A 95 4.072 -4.147 -10.451 1.00 1.15 H new ATOM 0 HB2 ASN A 95 4.705 -2.717 -13.056 1.00 14.45 H new ATOM 0 HB3 ASN A 95 4.856 -4.436 -12.753 1.00 14.45 H new ATOM 0 HD21 ASN A 95 1.356 -5.146 -13.083 1.00 74.12 H new ATOM 0 HD22 ASN A 95 2.927 -5.749 -12.546 1.00 74.12 H new ATOM 1591 N GLU A 96 6.474 -3.842 -9.751 1.00 54.30 N ATOM 1592 CA GLU A 96 7.865 -3.692 -9.321 1.00 3.25 C ATOM 1593 C GLU A 96 8.800 -4.062 -10.481 1.00 24.23 C ATOM 1594 O GLU A 96 8.529 -5.003 -11.236 1.00 64.02 O ATOM 1595 CB GLU A 96 8.160 -4.553 -8.061 1.00 60.21 C ATOM 1596 CG GLU A 96 9.531 -4.291 -7.394 1.00 65.22 C ATOM 1597 CD GLU A 96 9.730 -2.810 -7.017 1.00 72.43 C ATOM 1598 OE1 GLU A 96 9.240 -2.386 -5.949 1.00 3.13 O ATOM 1599 OE2 GLU A 96 10.345 -2.049 -7.807 1.00 34.24 O ATOM 0 H GLU A 96 5.990 -4.635 -9.329 1.00 54.30 H new ATOM 0 HA GLU A 96 8.041 -2.652 -9.044 1.00 3.25 H new ATOM 0 HB2 GLU A 96 7.375 -4.374 -7.326 1.00 60.21 H new ATOM 0 HB3 GLU A 96 8.103 -5.606 -8.338 1.00 60.21 H new ATOM 0 HG2 GLU A 96 9.619 -4.906 -6.498 1.00 65.22 H new ATOM 0 HG3 GLU A 96 10.326 -4.600 -8.072 1.00 65.22 H new ATOM 1606 N LYS A 97 9.876 -3.302 -10.628 1.00 43.14 N ATOM 1607 CA LYS A 97 10.833 -3.462 -11.728 1.00 30.20 C ATOM 1608 C LYS A 97 12.040 -4.307 -11.247 1.00 53.24 C ATOM 1609 O LYS A 97 12.749 -3.882 -10.311 1.00 51.12 O ATOM 1610 CB LYS A 97 11.236 -2.060 -12.289 1.00 0.44 C ATOM 1611 CG LYS A 97 11.594 -0.989 -11.227 1.00 42.24 C ATOM 1612 CD LYS A 97 11.827 0.413 -11.834 1.00 44.21 C ATOM 1613 CE LYS A 97 12.882 0.425 -12.956 1.00 33.21 C ATOM 1614 NZ LYS A 97 13.141 1.807 -13.456 1.00 44.14 N ATOM 1615 OXT LYS A 97 12.259 -5.405 -11.800 1.00 37.72 O ATOM 0 H LYS A 97 10.117 -2.548 -9.984 1.00 43.14 H new ATOM 0 HA LYS A 97 10.379 -4.006 -12.556 1.00 30.20 H new ATOM 0 HB2 LYS A 97 12.091 -2.187 -12.953 1.00 0.44 H new ATOM 0 HB3 LYS A 97 10.414 -1.682 -12.897 1.00 0.44 H new ATOM 0 HG2 LYS A 97 10.791 -0.931 -10.493 1.00 42.24 H new ATOM 0 HG3 LYS A 97 12.492 -1.301 -10.693 1.00 42.24 H new ATOM 0 HD2 LYS A 97 10.884 0.792 -12.228 1.00 44.21 H new ATOM 0 HD3 LYS A 97 12.140 1.096 -11.044 1.00 44.21 H new ATOM 0 HE2 LYS A 97 13.811 -0.008 -12.586 1.00 33.21 H new ATOM 0 HE3 LYS A 97 12.544 -0.203 -13.780 1.00 33.21 H new ATOM 0 HZ1 LYS A 97 13.856 1.775 -14.210 1.00 44.14 H new ATOM 0 HZ2 LYS A 97 12.259 2.211 -13.832 1.00 44.14 H new ATOM 0 HZ3 LYS A 97 13.488 2.399 -12.675 1.00 44.14 H new TER 1629 LYS A 97