USER MOD reduce.3.24.130724 H: found=0, std=0, add=1062, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 1048 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: B 7 HIS : no HD1:sc= 0 X(o=0,f=0.0042) USER MOD Set 1.2: B 9 SER OG : rot 180:sc= 0 USER MOD Set 2.1: A 66 GLN : amide:sc= -0.377 K(o=-0.59,f=-2.3!) USER MOD Set 2.2: B 61 TYR OH : rot -30:sc= -0.214 USER MOD Set 3.1: A 29 MET CE :methyl 171:sc= -1.23 (180deg=-1.37!) USER MOD Set 3.2: A 33 TYR OH : rot 99:sc= 0.491 USER MOD Set 3.3: B 29 MET CE :methyl -127:sc=-0.00129 (180deg=-2.02!) USER MOD Set 3.4: B 33 TYR OH : rot -30:sc= 0.407 USER MOD Single : A 1 MET CE :methyl 167:sc= -0.022 (180deg=-0.248) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.014) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 6 HIS : no HD1:sc= 0.00628 X(o=0.0063,f=-0.41) USER MOD Single : A 7 HIS : no HD1:sc= -0.648 X(o=-0.65,f=-0.6) USER MOD Single : A 8 HIS : no HD1:sc= -0.0991 K(o=-0.099,f=-0.62) USER MOD Single : A 9 SER OG : rot 40:sc= 0.32 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl -167:sc= -0.155 (180deg=-0.473) USER MOD Single : A 15 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= -0.94 X(o=-0.94,f=-1.3) USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 32 CYS SG : rot 73:sc= 0.593 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 82:sc= 1.11 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 SER OG : rot 105:sc= 0.02 USER MOD Single : A 51 GLN : amide:sc= -0.709 X(o=-0.71,f=-0.64) USER MOD Single : A 56 GLN : amide:sc= -1.92! K(o=-1.9!,f=-0.33) USER MOD Single : A 61 TYR OH : rot 30:sc= 0 USER MOD Single : B 1 MET CE :methyl -172:sc=-0.00532 (180deg=-0.101) USER MOD Single : B 1 MET N :NH3+ 144:sc= 0.0287 (180deg=-0.0936) USER MOD Single : B 3 HIS : no HD1:sc= -0.254 X(o=-0.25,f=-0.67) USER MOD Single : B 4 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : B 5 HIS : no HD1:sc= -0.0446 X(o=-0.045,f=-0.33) USER MOD Single : B 6 HIS : no HD1:sc= 0 X(o=0,f=-0.052) USER MOD Single : B 8 HIS : no HD1:sc= 0 X(o=0,f=-0.00099) USER MOD Single : B 10 HIS : no HE2:sc= 0.0535 K(o=0.053,f=-0.93) USER MOD Single : B 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ -172:sc= 0.485 (180deg=0.286) USER MOD Single : B 24 SER OG : rot 105:sc= 0.265 USER MOD Single : B 30 ASN : amide:sc= 0 X(o=0,f=0.45) USER MOD Single : B 31 HIS : no HD1:sc= -1.08 X(o=-1.1,f=-0.64) USER MOD Single : B 32 CYS SG : rot 76:sc= 0.176 USER MOD Single : B 34 SER OG : rot -73:sc= 0.214 USER MOD Single : B 47 THR OG1 : rot -91:sc= -0.579 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 50 SER OG : rot 180:sc= -0.131 USER MOD Single : B 51 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : B 56 GLN : amide:sc= -1.52! K(o=-1.5!,f=-0.15) USER MOD Single : B 66 GLN : amide:sc= 0 X(o=0,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -34.803 -23.535 -5.756 1.00 0.00 N ATOM 2 CA MET A 1 -34.833 -22.056 -5.585 1.00 52.33 C ATOM 3 C MET A 1 -33.407 -21.521 -5.319 1.00 22.22 C ATOM 4 O MET A 1 -32.729 -21.997 -4.403 1.00 31.53 O ATOM 5 CB MET A 1 -35.799 -21.668 -4.428 1.00 32.34 C ATOM 6 CG MET A 1 -36.040 -20.156 -4.271 1.00 55.51 C ATOM 7 SD MET A 1 -37.144 -19.757 -2.893 1.00 43.11 S ATOM 8 CE MET A 1 -36.171 -20.248 -1.464 1.00 42.51 C ATOM 0 H1 MET A 1 -35.767 -23.883 -5.934 1.00 0.00 H new ATOM 0 H2 MET A 1 -34.192 -23.779 -6.561 1.00 0.00 H new ATOM 0 H3 MET A 1 -34.429 -23.977 -4.892 1.00 0.00 H new ATOM 0 HA MET A 1 -35.202 -21.600 -6.503 1.00 52.33 H new ATOM 0 HB2 MET A 1 -36.758 -22.160 -4.593 1.00 32.34 H new ATOM 0 HB3 MET A 1 -35.398 -22.057 -3.492 1.00 32.34 H new ATOM 0 HG2 MET A 1 -35.084 -19.655 -4.121 1.00 55.51 H new ATOM 0 HG3 MET A 1 -36.464 -19.763 -5.195 1.00 55.51 H new ATOM 0 HE1 MET A 1 -36.628 -19.849 -0.558 1.00 42.51 H new ATOM 0 HE2 MET A 1 -36.136 -21.336 -1.404 1.00 42.51 H new ATOM 0 HE3 MET A 1 -35.158 -19.857 -1.562 1.00 42.51 H new ATOM 20 N GLY A 2 -32.962 -20.545 -6.132 1.00 75.25 N ATOM 21 CA GLY A 2 -31.624 -19.944 -6.013 1.00 33.00 C ATOM 22 C GLY A 2 -31.668 -18.482 -5.544 1.00 5.40 C ATOM 23 O GLY A 2 -32.564 -17.727 -5.934 1.00 33.30 O ATOM 0 H GLY A 2 -33.521 -20.152 -6.889 1.00 75.25 H new ATOM 0 HA2 GLY A 2 -31.029 -20.528 -5.311 1.00 33.00 H new ATOM 0 HA3 GLY A 2 -31.120 -19.996 -6.978 1.00 33.00 H new ATOM 27 N HIS A 3 -30.693 -18.082 -4.705 1.00 25.43 N ATOM 28 CA HIS A 3 -30.581 -16.701 -4.184 1.00 12.41 C ATOM 29 C HIS A 3 -29.475 -15.939 -4.951 1.00 70.04 C ATOM 30 O HIS A 3 -28.285 -16.236 -4.794 1.00 61.44 O ATOM 31 CB HIS A 3 -30.270 -16.730 -2.664 1.00 52.24 C ATOM 32 CG HIS A 3 -30.314 -15.377 -1.994 1.00 52.43 C ATOM 33 ND1 HIS A 3 -31.484 -14.883 -1.473 1.00 10.23 N ATOM 34 CD2 HIS A 3 -29.328 -14.464 -1.792 1.00 63.14 C ATOM 35 CE1 HIS A 3 -31.190 -13.701 -0.970 1.00 43.04 C ATOM 36 NE2 HIS A 3 -29.897 -13.405 -1.141 1.00 44.33 N ATOM 0 H HIS A 3 -29.960 -18.705 -4.368 1.00 25.43 H new ATOM 0 HA HIS A 3 -31.529 -16.183 -4.333 1.00 12.41 H new ATOM 0 HB2 HIS A 3 -30.985 -17.390 -2.172 1.00 52.24 H new ATOM 0 HB3 HIS A 3 -29.281 -17.164 -2.516 1.00 52.24 H new ATOM 0 HD2 HIS A 3 -28.294 -14.557 -2.089 1.00 63.14 H new ATOM 0 HE1 HIS A 3 -31.903 -13.053 -0.482 1.00 43.04 H new ATOM 0 HE2 HIS A 3 -29.425 -12.551 -0.842 1.00 44.33 H new ATOM 44 N HIS A 4 -29.881 -14.964 -5.778 1.00 1.32 N ATOM 45 CA HIS A 4 -28.949 -14.155 -6.597 1.00 70.15 C ATOM 46 C HIS A 4 -29.604 -12.827 -7.034 1.00 72.42 C ATOM 47 O HIS A 4 -30.833 -12.731 -7.157 1.00 62.05 O ATOM 48 CB HIS A 4 -28.470 -14.962 -7.845 1.00 30.22 C ATOM 49 CG HIS A 4 -29.575 -15.360 -8.809 1.00 61.24 C ATOM 50 ND1 HIS A 4 -29.709 -14.760 -10.041 1.00 4.24 N ATOM 51 CD2 HIS A 4 -30.559 -16.292 -8.672 1.00 64.32 C ATOM 52 CE1 HIS A 4 -30.755 -15.331 -10.612 1.00 62.43 C ATOM 53 NE2 HIS A 4 -31.299 -16.262 -9.822 1.00 42.33 N ATOM 0 H HIS A 4 -30.861 -14.710 -5.902 1.00 1.32 H new ATOM 0 HA HIS A 4 -28.081 -13.919 -5.982 1.00 70.15 H new ATOM 0 HB2 HIS A 4 -27.734 -14.366 -8.384 1.00 30.22 H new ATOM 0 HB3 HIS A 4 -27.962 -15.864 -7.504 1.00 30.22 H new ATOM 0 HD2 HIS A 4 -30.724 -16.933 -7.818 1.00 64.32 H new ATOM 0 HE1 HIS A 4 -31.124 -15.077 -11.595 1.00 62.43 H new ATOM 0 HE2 HIS A 4 -32.112 -16.840 -10.036 1.00 42.33 H new ATOM 61 N HIS A 5 -28.764 -11.802 -7.245 1.00 51.01 N ATOM 62 CA HIS A 5 -29.184 -10.506 -7.818 1.00 10.11 C ATOM 63 C HIS A 5 -28.030 -9.912 -8.656 1.00 62.12 C ATOM 64 O HIS A 5 -26.876 -9.874 -8.201 1.00 44.44 O ATOM 65 CB HIS A 5 -29.625 -9.508 -6.704 1.00 65.01 C ATOM 66 CG HIS A 5 -30.186 -8.208 -7.243 1.00 14.00 C ATOM 67 ND1 HIS A 5 -31.470 -8.133 -7.728 1.00 21.21 N ATOM 68 CD2 HIS A 5 -29.593 -6.993 -7.396 1.00 63.25 C ATOM 69 CE1 HIS A 5 -31.627 -6.897 -8.161 1.00 61.43 C ATOM 70 NE2 HIS A 5 -30.517 -6.169 -7.987 1.00 44.02 N ATOM 0 H HIS A 5 -27.769 -11.845 -7.023 1.00 51.01 H new ATOM 0 HA HIS A 5 -30.046 -10.676 -8.463 1.00 10.11 H new ATOM 0 HB2 HIS A 5 -30.377 -9.986 -6.076 1.00 65.01 H new ATOM 0 HB3 HIS A 5 -28.770 -9.288 -6.065 1.00 65.01 H new ATOM 0 HD2 HIS A 5 -28.587 -6.728 -7.107 1.00 63.25 H new ATOM 0 HE1 HIS A 5 -32.538 -6.519 -8.601 1.00 61.43 H new ATOM 0 HE2 HIS A 5 -30.384 -5.191 -8.244 1.00 44.02 H new ATOM 78 N HIS A 6 -28.353 -9.449 -9.879 1.00 10.32 N ATOM 79 CA HIS A 6 -27.380 -8.829 -10.797 1.00 43.53 C ATOM 80 C HIS A 6 -27.017 -7.410 -10.317 1.00 43.24 C ATOM 81 O HIS A 6 -27.901 -6.563 -10.130 1.00 24.43 O ATOM 82 CB HIS A 6 -27.963 -8.796 -12.233 1.00 12.13 C ATOM 83 CG HIS A 6 -28.385 -10.157 -12.733 1.00 33.33 C ATOM 84 ND1 HIS A 6 -29.637 -10.662 -12.452 1.00 62.53 N ATOM 85 CD2 HIS A 6 -27.693 -11.078 -13.448 1.00 13.41 C ATOM 86 CE1 HIS A 6 -29.674 -11.866 -12.994 1.00 33.20 C ATOM 87 NE2 HIS A 6 -28.521 -12.158 -13.605 1.00 44.43 N ATOM 0 H HIS A 6 -29.299 -9.495 -10.258 1.00 10.32 H new ATOM 0 HA HIS A 6 -26.467 -9.424 -10.806 1.00 43.53 H new ATOM 0 HB2 HIS A 6 -28.822 -8.125 -12.255 1.00 12.13 H new ATOM 0 HB3 HIS A 6 -27.218 -8.381 -12.912 1.00 12.13 H new ATOM 0 HD2 HIS A 6 -26.684 -10.979 -13.821 1.00 13.41 H new ATOM 0 HE1 HIS A 6 -30.525 -12.529 -12.949 1.00 33.20 H new ATOM 0 HE2 HIS A 6 -28.299 -13.024 -14.097 1.00 44.43 H new ATOM 95 N HIS A 7 -25.714 -7.176 -10.090 1.00 15.20 N ATOM 96 CA HIS A 7 -25.198 -5.878 -9.620 1.00 75.15 C ATOM 97 C HIS A 7 -25.313 -4.811 -10.744 1.00 42.23 C ATOM 98 O HIS A 7 -24.423 -4.684 -11.599 1.00 73.35 O ATOM 99 CB HIS A 7 -23.732 -6.032 -9.123 1.00 40.54 C ATOM 100 CG HIS A 7 -23.140 -4.776 -8.526 1.00 72.30 C ATOM 101 ND1 HIS A 7 -23.517 -4.326 -7.283 1.00 22.21 N ATOM 102 CD2 HIS A 7 -22.245 -3.901 -9.051 1.00 54.32 C ATOM 103 CE1 HIS A 7 -22.859 -3.201 -7.086 1.00 72.45 C ATOM 104 NE2 HIS A 7 -22.078 -2.903 -8.127 1.00 73.34 N ATOM 0 H HIS A 7 -24.989 -7.880 -10.227 1.00 15.20 H new ATOM 0 HA HIS A 7 -25.801 -5.537 -8.779 1.00 75.15 H new ATOM 0 HB2 HIS A 7 -23.696 -6.826 -8.377 1.00 40.54 H new ATOM 0 HB3 HIS A 7 -23.109 -6.351 -9.959 1.00 40.54 H new ATOM 0 HD2 HIS A 7 -21.758 -3.977 -10.012 1.00 54.32 H new ATOM 0 HE1 HIS A 7 -22.941 -2.596 -6.195 1.00 72.45 H new ATOM 0 HE2 HIS A 7 -21.472 -2.087 -8.217 1.00 73.34 H new ATOM 112 N HIS A 8 -26.453 -4.101 -10.763 1.00 20.14 N ATOM 113 CA HIS A 8 -26.732 -3.034 -11.748 1.00 2.30 C ATOM 114 C HIS A 8 -25.984 -1.726 -11.366 1.00 44.45 C ATOM 115 O HIS A 8 -26.552 -0.817 -10.736 1.00 63.41 O ATOM 116 CB HIS A 8 -28.268 -2.804 -11.850 1.00 2.21 C ATOM 117 CG HIS A 8 -29.059 -4.055 -12.166 1.00 3.53 C ATOM 118 ND1 HIS A 8 -30.063 -4.502 -11.335 1.00 51.23 N ATOM 119 CD2 HIS A 8 -28.961 -4.904 -13.223 1.00 70.53 C ATOM 120 CE1 HIS A 8 -30.543 -5.596 -11.899 1.00 41.52 C ATOM 121 NE2 HIS A 8 -29.908 -5.878 -13.042 1.00 31.21 N ATOM 0 H HIS A 8 -27.211 -4.248 -10.096 1.00 20.14 H new ATOM 0 HA HIS A 8 -26.365 -3.344 -12.727 1.00 2.30 H new ATOM 0 HB2 HIS A 8 -28.626 -2.389 -10.908 1.00 2.21 H new ATOM 0 HB3 HIS A 8 -28.463 -2.059 -12.621 1.00 2.21 H new ATOM 0 HD2 HIS A 8 -28.269 -4.826 -14.048 1.00 70.53 H new ATOM 0 HE1 HIS A 8 -31.347 -6.188 -11.489 1.00 41.52 H new ATOM 0 HE2 HIS A 8 -30.093 -6.667 -13.661 1.00 31.21 H new ATOM 129 N SER A 9 -24.686 -1.667 -11.724 1.00 64.40 N ATOM 130 CA SER A 9 -23.802 -0.522 -11.401 1.00 13.54 C ATOM 131 C SER A 9 -23.950 0.618 -12.441 1.00 2.31 C ATOM 132 O SER A 9 -23.435 0.534 -13.557 1.00 0.52 O ATOM 133 CB SER A 9 -22.329 -0.996 -11.296 1.00 51.34 C ATOM 134 OG SER A 9 -21.882 -1.627 -12.491 1.00 43.04 O ATOM 0 H SER A 9 -24.218 -2.409 -12.245 1.00 64.40 H new ATOM 0 HA SER A 9 -24.105 -0.119 -10.435 1.00 13.54 H new ATOM 0 HB2 SER A 9 -21.689 -0.142 -11.077 1.00 51.34 H new ATOM 0 HB3 SER A 9 -22.231 -1.690 -10.462 1.00 51.34 H new ATOM 0 HG SER A 9 -22.234 -1.144 -13.267 1.00 43.04 H new ATOM 140 N HIS A 10 -24.710 1.668 -12.070 1.00 60.32 N ATOM 141 CA HIS A 10 -24.932 2.871 -12.907 1.00 2.30 C ATOM 142 C HIS A 10 -24.433 4.137 -12.164 1.00 65.31 C ATOM 143 O HIS A 10 -25.097 4.626 -11.242 1.00 50.52 O ATOM 144 CB HIS A 10 -26.443 3.016 -13.254 1.00 63.21 C ATOM 145 CG HIS A 10 -27.031 1.858 -14.025 1.00 4.11 C ATOM 146 ND1 HIS A 10 -27.117 1.835 -15.398 1.00 2.52 N ATOM 147 CD2 HIS A 10 -27.583 0.690 -13.605 1.00 65.50 C ATOM 148 CE1 HIS A 10 -27.685 0.714 -15.787 1.00 42.34 C ATOM 149 NE2 HIS A 10 -27.980 0.003 -14.720 1.00 75.43 N ATOM 0 H HIS A 10 -25.193 1.708 -11.172 1.00 60.32 H new ATOM 0 HA HIS A 10 -24.369 2.760 -13.834 1.00 2.30 H new ATOM 0 HB2 HIS A 10 -27.004 3.139 -12.327 1.00 63.21 H new ATOM 0 HB3 HIS A 10 -26.582 3.928 -13.834 1.00 63.21 H new ATOM 0 HD2 HIS A 10 -27.689 0.364 -12.581 1.00 65.50 H new ATOM 0 HE1 HIS A 10 -27.877 0.426 -16.810 1.00 42.34 H new ATOM 0 HE2 HIS A 10 -28.431 -0.912 -14.723 1.00 75.43 H new ATOM 158 N MET A 11 -23.245 4.642 -12.549 1.00 33.12 N ATOM 159 CA MET A 11 -22.626 5.837 -11.924 1.00 75.23 C ATOM 160 C MET A 11 -23.110 7.140 -12.617 1.00 43.44 C ATOM 161 O MET A 11 -23.046 7.256 -13.847 1.00 44.42 O ATOM 162 CB MET A 11 -21.076 5.753 -12.004 1.00 32.51 C ATOM 163 CG MET A 11 -20.443 4.525 -11.333 1.00 51.42 C ATOM 164 SD MET A 11 -20.832 2.973 -12.182 1.00 32.20 S ATOM 165 CE MET A 11 -19.775 1.815 -11.306 1.00 4.11 C ATOM 0 H MET A 11 -22.685 4.238 -13.300 1.00 33.12 H new ATOM 0 HA MET A 11 -22.932 5.860 -10.878 1.00 75.23 H new ATOM 0 HB2 MET A 11 -20.783 5.763 -13.054 1.00 32.51 H new ATOM 0 HB3 MET A 11 -20.657 6.650 -11.548 1.00 32.51 H new ATOM 0 HG2 MET A 11 -19.361 4.653 -11.301 1.00 51.42 H new ATOM 0 HG3 MET A 11 -20.788 4.464 -10.301 1.00 51.42 H new ATOM 0 HE1 MET A 11 -19.729 0.876 -11.857 1.00 4.11 H new ATOM 0 HE2 MET A 11 -18.772 2.233 -11.217 1.00 4.11 H new ATOM 0 HE3 MET A 11 -20.181 1.632 -10.311 1.00 4.11 H new ATOM 175 N GLY A 12 -23.586 8.109 -11.818 1.00 71.22 N ATOM 176 CA GLY A 12 -24.022 9.425 -12.327 1.00 23.21 C ATOM 177 C GLY A 12 -23.130 10.566 -11.823 1.00 15.30 C ATOM 178 O GLY A 12 -21.914 10.399 -11.721 1.00 45.14 O ATOM 0 H GLY A 12 -23.680 8.006 -10.808 1.00 71.22 H new ATOM 0 HA2 GLY A 12 -24.012 9.413 -13.417 1.00 23.21 H new ATOM 0 HA3 GLY A 12 -25.052 9.608 -12.020 1.00 23.21 H new ATOM 182 N GLY A 13 -23.736 11.725 -11.501 1.00 12.20 N ATOM 183 CA GLY A 13 -22.995 12.879 -10.955 1.00 34.03 C ATOM 184 C GLY A 13 -22.227 13.672 -12.021 1.00 64.43 C ATOM 185 O GLY A 13 -22.651 14.765 -12.412 1.00 21.41 O ATOM 0 H GLY A 13 -24.737 11.887 -11.610 1.00 12.20 H new ATOM 0 HA2 GLY A 13 -23.695 13.546 -10.452 1.00 34.03 H new ATOM 0 HA3 GLY A 13 -22.293 12.526 -10.200 1.00 34.03 H new ATOM 189 N GLY A 14 -21.104 13.099 -12.498 1.00 42.13 N ATOM 190 CA GLY A 14 -20.254 13.738 -13.520 1.00 15.43 C ATOM 191 C GLY A 14 -19.419 14.907 -12.977 1.00 33.34 C ATOM 192 O GLY A 14 -19.500 16.033 -13.487 1.00 35.33 O ATOM 0 H GLY A 14 -20.764 12.189 -12.189 1.00 42.13 H new ATOM 0 HA2 GLY A 14 -19.585 12.990 -13.944 1.00 15.43 H new ATOM 0 HA3 GLY A 14 -20.885 14.099 -14.332 1.00 15.43 H new ATOM 196 N LYS A 15 -18.597 14.621 -11.948 1.00 4.20 N ATOM 197 CA LYS A 15 -17.798 15.640 -11.218 1.00 34.24 C ATOM 198 C LYS A 15 -16.720 14.975 -10.323 1.00 35.32 C ATOM 199 O LYS A 15 -16.787 13.769 -10.048 1.00 23.31 O ATOM 200 CB LYS A 15 -18.747 16.526 -10.362 1.00 55.23 C ATOM 201 CG LYS A 15 -19.584 15.742 -9.318 1.00 74.43 C ATOM 202 CD LYS A 15 -20.772 16.563 -8.769 1.00 2.40 C ATOM 203 CE LYS A 15 -21.837 16.862 -9.837 1.00 33.10 C ATOM 204 NZ LYS A 15 -22.951 17.677 -9.293 1.00 32.12 N ATOM 0 H LYS A 15 -18.464 13.674 -11.594 1.00 4.20 H new ATOM 0 HA LYS A 15 -17.280 16.263 -11.947 1.00 34.24 H new ATOM 0 HB2 LYS A 15 -18.153 17.278 -9.843 1.00 55.23 H new ATOM 0 HB3 LYS A 15 -19.426 17.059 -11.028 1.00 55.23 H new ATOM 0 HG2 LYS A 15 -19.960 14.826 -9.774 1.00 74.43 H new ATOM 0 HG3 LYS A 15 -18.940 15.445 -8.491 1.00 74.43 H new ATOM 0 HD2 LYS A 15 -21.234 16.018 -7.945 1.00 2.40 H new ATOM 0 HD3 LYS A 15 -20.400 17.503 -8.361 1.00 2.40 H new ATOM 0 HE2 LYS A 15 -21.376 17.389 -10.672 1.00 33.10 H new ATOM 0 HE3 LYS A 15 -22.231 15.925 -10.230 1.00 33.10 H new ATOM 0 HZ1 LYS A 15 -23.648 17.857 -10.044 1.00 32.12 H new ATOM 0 HZ2 LYS A 15 -23.408 17.164 -8.512 1.00 32.12 H new ATOM 0 HZ3 LYS A 15 -22.579 18.582 -8.941 1.00 32.12 H new ATOM 218 N GLY A 16 -15.732 15.778 -9.872 1.00 44.22 N ATOM 219 CA GLY A 16 -14.674 15.283 -8.970 1.00 3.24 C ATOM 220 C GLY A 16 -13.628 16.349 -8.611 1.00 13.44 C ATOM 221 O GLY A 16 -12.524 16.327 -9.155 1.00 32.32 O ATOM 0 H GLY A 16 -15.647 16.765 -10.117 1.00 44.22 H new ATOM 0 HA2 GLY A 16 -15.133 14.912 -8.053 1.00 3.24 H new ATOM 0 HA3 GLY A 16 -14.173 14.437 -9.440 1.00 3.24 H new ATOM 225 N PRO A 17 -13.921 17.295 -7.661 1.00 2.33 N ATOM 226 CA PRO A 17 -12.971 18.388 -7.286 1.00 42.43 C ATOM 227 C PRO A 17 -11.840 17.939 -6.303 1.00 73.24 C ATOM 228 O PRO A 17 -11.516 18.649 -5.344 1.00 60.01 O ATOM 229 CB PRO A 17 -13.925 19.430 -6.654 1.00 34.04 C ATOM 230 CG PRO A 17 -14.990 18.606 -5.995 1.00 3.35 C ATOM 231 CD PRO A 17 -15.195 17.391 -6.887 1.00 33.52 C ATOM 0 HA PRO A 17 -12.399 18.760 -8.136 1.00 42.43 H new ATOM 0 HB2 PRO A 17 -13.405 20.059 -5.932 1.00 34.04 H new ATOM 0 HB3 PRO A 17 -14.346 20.094 -7.409 1.00 34.04 H new ATOM 0 HG2 PRO A 17 -14.686 18.306 -4.992 1.00 3.35 H new ATOM 0 HG3 PRO A 17 -15.914 19.174 -5.892 1.00 3.35 H new ATOM 0 HD2 PRO A 17 -15.375 16.490 -6.300 1.00 33.52 H new ATOM 0 HD3 PRO A 17 -16.054 17.519 -7.546 1.00 33.52 H new ATOM 239 N ALA A 18 -11.214 16.776 -6.582 1.00 24.44 N ATOM 240 CA ALA A 18 -10.091 16.236 -5.786 1.00 41.44 C ATOM 241 C ALA A 18 -9.144 15.406 -6.684 1.00 3.33 C ATOM 242 O ALA A 18 -9.551 14.391 -7.261 1.00 64.40 O ATOM 243 CB ALA A 18 -10.620 15.377 -4.621 1.00 74.31 C ATOM 0 H ALA A 18 -11.475 16.182 -7.369 1.00 24.44 H new ATOM 0 HA ALA A 18 -9.529 17.072 -5.370 1.00 41.44 H new ATOM 0 HB1 ALA A 18 -9.780 14.987 -4.046 1.00 74.31 H new ATOM 0 HB2 ALA A 18 -11.250 15.988 -3.975 1.00 74.31 H new ATOM 0 HB3 ALA A 18 -11.204 14.547 -5.017 1.00 74.31 H new ATOM 249 N ALA A 19 -7.885 15.864 -6.805 1.00 10.45 N ATOM 250 CA ALA A 19 -6.819 15.159 -7.556 1.00 73.32 C ATOM 251 C ALA A 19 -5.495 15.162 -6.747 1.00 2.52 C ATOM 252 O ALA A 19 -5.454 15.619 -5.595 1.00 63.25 O ATOM 253 CB ALA A 19 -6.642 15.803 -8.950 1.00 20.43 C ATOM 0 H ALA A 19 -7.572 16.739 -6.384 1.00 10.45 H new ATOM 0 HA ALA A 19 -7.108 14.118 -7.703 1.00 73.32 H new ATOM 0 HB1 ALA A 19 -5.857 15.279 -9.496 1.00 20.43 H new ATOM 0 HB2 ALA A 19 -7.578 15.733 -9.505 1.00 20.43 H new ATOM 0 HB3 ALA A 19 -6.366 16.851 -8.834 1.00 20.43 H new ATOM 259 N GLU A 20 -4.425 14.627 -7.354 1.00 35.53 N ATOM 260 CA GLU A 20 -3.087 14.504 -6.714 1.00 52.32 C ATOM 261 C GLU A 20 -2.159 15.703 -7.043 1.00 11.21 C ATOM 262 O GLU A 20 -2.477 16.542 -7.896 1.00 42.20 O ATOM 263 CB GLU A 20 -2.436 13.162 -7.135 1.00 32.14 C ATOM 264 CG GLU A 20 -2.455 12.872 -8.652 1.00 4.30 C ATOM 265 CD GLU A 20 -1.761 11.563 -9.066 1.00 21.52 C ATOM 266 OE1 GLU A 20 -1.575 10.665 -8.209 1.00 41.15 O ATOM 267 OE2 GLU A 20 -1.359 11.450 -10.243 1.00 70.11 O ATOM 0 H GLU A 20 -4.453 14.263 -8.306 1.00 35.53 H new ATOM 0 HA GLU A 20 -3.228 14.516 -5.633 1.00 52.32 H new ATOM 0 HB2 GLU A 20 -1.401 13.155 -6.792 1.00 32.14 H new ATOM 0 HB3 GLU A 20 -2.948 12.350 -6.619 1.00 32.14 H new ATOM 0 HG2 GLU A 20 -3.491 12.840 -8.989 1.00 4.30 H new ATOM 0 HG3 GLU A 20 -1.976 13.701 -9.172 1.00 4.30 H new ATOM 274 N GLU A 21 -0.998 15.762 -6.353 1.00 40.03 N ATOM 275 CA GLU A 21 -0.037 16.894 -6.456 1.00 62.11 C ATOM 276 C GLU A 21 1.447 16.401 -6.415 1.00 73.12 C ATOM 277 O GLU A 21 1.706 15.264 -5.993 1.00 64.42 O ATOM 278 CB GLU A 21 -0.328 17.910 -5.309 1.00 62.44 C ATOM 279 CG GLU A 21 -0.132 17.360 -3.880 1.00 70.24 C ATOM 280 CD GLU A 21 -0.438 18.409 -2.797 1.00 62.54 C ATOM 281 OE1 GLU A 21 0.425 19.280 -2.546 1.00 71.31 O ATOM 282 OE2 GLU A 21 -1.548 18.384 -2.214 1.00 34.41 O ATOM 0 H GLU A 21 -0.697 15.030 -5.709 1.00 40.03 H new ATOM 0 HA GLU A 21 -0.172 17.386 -7.419 1.00 62.11 H new ATOM 0 HB2 GLU A 21 0.320 18.777 -5.440 1.00 62.44 H new ATOM 0 HB3 GLU A 21 -1.355 18.262 -5.408 1.00 62.44 H new ATOM 0 HG2 GLU A 21 -0.779 16.494 -3.736 1.00 70.24 H new ATOM 0 HG3 GLU A 21 0.895 17.013 -3.765 1.00 70.24 H new ATOM 289 N PRO A 22 2.448 17.236 -6.892 1.00 15.40 N ATOM 290 CA PRO A 22 3.900 16.884 -6.845 1.00 41.34 C ATOM 291 C PRO A 22 4.469 16.691 -5.410 1.00 21.35 C ATOM 292 O PRO A 22 4.009 17.315 -4.445 1.00 62.53 O ATOM 293 CB PRO A 22 4.595 18.087 -7.551 1.00 3.01 C ATOM 294 CG PRO A 22 3.512 18.733 -8.364 1.00 10.23 C ATOM 295 CD PRO A 22 2.253 18.565 -7.548 1.00 31.21 C ATOM 0 HA PRO A 22 4.074 15.920 -7.323 1.00 41.34 H new ATOM 0 HB2 PRO A 22 5.013 18.784 -6.825 1.00 3.01 H new ATOM 0 HB3 PRO A 22 5.418 17.753 -8.183 1.00 3.01 H new ATOM 0 HG2 PRO A 22 3.728 19.786 -8.542 1.00 10.23 H new ATOM 0 HG3 PRO A 22 3.415 18.258 -9.340 1.00 10.23 H new ATOM 0 HD2 PRO A 22 2.139 19.363 -6.815 1.00 31.21 H new ATOM 0 HD3 PRO A 22 1.362 18.578 -8.175 1.00 31.21 H new ATOM 303 N LEU A 23 5.495 15.827 -5.308 1.00 1.54 N ATOM 304 CA LEU A 23 6.216 15.539 -4.041 1.00 20.15 C ATOM 305 C LEU A 23 7.474 16.438 -3.933 1.00 71.10 C ATOM 306 O LEU A 23 8.114 16.732 -4.950 1.00 43.01 O ATOM 307 CB LEU A 23 6.587 14.033 -4.010 1.00 32.34 C ATOM 308 CG LEU A 23 5.397 13.050 -4.277 1.00 63.22 C ATOM 309 CD1 LEU A 23 5.873 11.586 -4.331 1.00 33.12 C ATOM 310 CD2 LEU A 23 4.259 13.231 -3.240 1.00 64.42 C ATOM 0 H LEU A 23 5.855 15.302 -6.105 1.00 1.54 H new ATOM 0 HA LEU A 23 5.580 15.760 -3.184 1.00 20.15 H new ATOM 0 HB2 LEU A 23 7.363 13.850 -4.754 1.00 32.34 H new ATOM 0 HB3 LEU A 23 7.018 13.801 -3.036 1.00 32.34 H new ATOM 0 HG LEU A 23 4.990 13.301 -5.256 1.00 63.22 H new ATOM 0 HD11 LEU A 23 5.021 10.933 -4.518 1.00 33.12 H new ATOM 0 HD12 LEU A 23 6.602 11.470 -5.133 1.00 33.12 H new ATOM 0 HD13 LEU A 23 6.334 11.318 -3.380 1.00 33.12 H new ATOM 0 HD21 LEU A 23 3.452 12.532 -3.459 1.00 64.42 H new ATOM 0 HD22 LEU A 23 4.645 13.038 -2.239 1.00 64.42 H new ATOM 0 HD23 LEU A 23 3.879 14.251 -3.292 1.00 64.42 H new ATOM 322 N SER A 24 7.843 16.848 -2.706 1.00 12.13 N ATOM 323 CA SER A 24 8.897 17.885 -2.476 1.00 32.42 C ATOM 324 C SER A 24 9.922 17.452 -1.403 1.00 31.24 C ATOM 325 O SER A 24 9.813 16.365 -0.853 1.00 22.35 O ATOM 326 CB SER A 24 8.215 19.201 -2.034 1.00 42.51 C ATOM 327 OG SER A 24 7.547 19.047 -0.786 1.00 4.55 O ATOM 0 H SER A 24 7.432 16.482 -1.847 1.00 12.13 H new ATOM 0 HA SER A 24 9.442 18.023 -3.410 1.00 32.42 H new ATOM 0 HB2 SER A 24 8.962 19.990 -1.953 1.00 42.51 H new ATOM 0 HB3 SER A 24 7.500 19.515 -2.795 1.00 42.51 H new ATOM 0 HG SER A 24 7.127 19.896 -0.533 1.00 4.55 H new ATOM 333 N LEU A 25 10.936 18.334 -1.170 1.00 73.43 N ATOM 334 CA LEU A 25 11.909 18.263 -0.041 1.00 21.32 C ATOM 335 C LEU A 25 12.585 16.868 0.144 1.00 60.41 C ATOM 336 O LEU A 25 13.713 16.642 -0.318 1.00 73.20 O ATOM 337 CB LEU A 25 11.226 18.742 1.280 1.00 20.21 C ATOM 338 CG LEU A 25 10.733 20.227 1.289 1.00 33.34 C ATOM 339 CD1 LEU A 25 9.920 20.546 2.564 1.00 3.32 C ATOM 340 CD2 LEU A 25 11.920 21.213 1.120 1.00 31.22 C ATOM 0 H LEU A 25 11.103 19.135 -1.779 1.00 73.43 H new ATOM 0 HA LEU A 25 12.727 18.935 -0.300 1.00 21.32 H new ATOM 0 HB2 LEU A 25 10.373 18.094 1.482 1.00 20.21 H new ATOM 0 HB3 LEU A 25 11.930 18.607 2.101 1.00 20.21 H new ATOM 0 HG LEU A 25 10.068 20.356 0.435 1.00 33.34 H new ATOM 0 HD11 LEU A 25 9.594 21.586 2.537 1.00 3.32 H new ATOM 0 HD12 LEU A 25 9.049 19.893 2.613 1.00 3.32 H new ATOM 0 HD13 LEU A 25 10.544 20.385 3.443 1.00 3.32 H new ATOM 0 HD21 LEU A 25 11.547 22.237 1.130 1.00 31.22 H new ATOM 0 HD22 LEU A 25 12.626 21.076 1.939 1.00 31.22 H new ATOM 0 HD23 LEU A 25 12.422 21.019 0.172 1.00 31.22 H new ATOM 352 N LEU A 26 11.867 15.948 0.809 1.00 2.13 N ATOM 353 CA LEU A 26 12.343 14.596 1.137 1.00 22.33 C ATOM 354 C LEU A 26 11.108 13.672 1.221 1.00 11.52 C ATOM 355 O LEU A 26 11.008 12.683 0.481 1.00 24.14 O ATOM 356 CB LEU A 26 13.166 14.635 2.476 1.00 60.00 C ATOM 357 CG LEU A 26 14.035 13.368 2.845 1.00 24.41 C ATOM 358 CD1 LEU A 26 15.127 13.727 3.881 1.00 71.54 C ATOM 359 CD2 LEU A 26 13.177 12.176 3.350 1.00 72.54 C ATOM 0 H LEU A 26 10.919 16.128 1.140 1.00 2.13 H new ATOM 0 HA LEU A 26 13.015 14.208 0.372 1.00 22.33 H new ATOM 0 HB2 LEU A 26 13.832 15.497 2.435 1.00 60.00 H new ATOM 0 HB3 LEU A 26 12.467 14.811 3.294 1.00 60.00 H new ATOM 0 HG LEU A 26 14.516 13.045 1.922 1.00 24.41 H new ATOM 0 HD11 LEU A 26 15.711 12.837 4.118 1.00 71.54 H new ATOM 0 HD12 LEU A 26 15.784 14.492 3.467 1.00 71.54 H new ATOM 0 HD13 LEU A 26 14.657 14.105 4.789 1.00 71.54 H new ATOM 0 HD21 LEU A 26 13.828 11.335 3.588 1.00 72.54 H new ATOM 0 HD22 LEU A 26 12.629 12.475 4.243 1.00 72.54 H new ATOM 0 HD23 LEU A 26 12.472 11.881 2.573 1.00 72.54 H new ATOM 371 N ASP A 27 10.182 14.056 2.133 1.00 63.13 N ATOM 372 CA ASP A 27 8.897 13.369 2.397 1.00 30.32 C ATOM 373 C ASP A 27 9.091 11.893 2.874 1.00 41.23 C ATOM 374 O ASP A 27 9.457 11.012 2.086 1.00 54.12 O ATOM 375 CB ASP A 27 7.944 13.451 1.158 1.00 75.25 C ATOM 376 CG ASP A 27 7.534 14.879 0.721 1.00 1.54 C ATOM 377 OD1 ASP A 27 7.867 15.866 1.415 1.00 72.42 O ATOM 378 OD2 ASP A 27 6.864 15.006 -0.341 1.00 25.24 O ATOM 0 H ASP A 27 10.314 14.878 2.723 1.00 63.13 H new ATOM 0 HA ASP A 27 8.422 13.900 3.222 1.00 30.32 H new ATOM 0 HB2 ASP A 27 8.430 12.958 0.316 1.00 75.25 H new ATOM 0 HB3 ASP A 27 7.039 12.885 1.380 1.00 75.25 H new ATOM 383 N ASP A 28 8.841 11.651 4.180 1.00 43.02 N ATOM 384 CA ASP A 28 8.854 10.290 4.779 1.00 42.20 C ATOM 385 C ASP A 28 7.805 9.374 4.106 1.00 24.31 C ATOM 386 O ASP A 28 7.994 8.156 3.990 1.00 1.10 O ATOM 387 CB ASP A 28 8.572 10.381 6.297 1.00 42.02 C ATOM 388 CG ASP A 28 9.542 11.326 7.017 1.00 73.04 C ATOM 389 OD1 ASP A 28 9.271 12.547 7.054 1.00 24.20 O ATOM 390 OD2 ASP A 28 10.580 10.858 7.537 1.00 44.14 O ATOM 0 H ASP A 28 8.625 12.389 4.850 1.00 43.02 H new ATOM 0 HA ASP A 28 9.841 9.857 4.616 1.00 42.20 H new ATOM 0 HB2 ASP A 28 7.550 10.726 6.454 1.00 42.02 H new ATOM 0 HB3 ASP A 28 8.644 9.386 6.737 1.00 42.02 H new ATOM 395 N MET A 29 6.700 10.001 3.662 1.00 25.13 N ATOM 396 CA MET A 29 5.624 9.314 2.937 1.00 62.35 C ATOM 397 C MET A 29 6.118 8.823 1.567 1.00 20.30 C ATOM 398 O MET A 29 5.866 7.687 1.199 1.00 44.42 O ATOM 399 CB MET A 29 4.402 10.248 2.754 1.00 13.24 C ATOM 400 CG MET A 29 3.906 10.902 4.048 1.00 71.05 C ATOM 401 SD MET A 29 2.228 11.538 3.916 1.00 55.45 S ATOM 402 CE MET A 29 1.330 10.016 3.605 1.00 15.13 C ATOM 0 H MET A 29 6.531 10.998 3.798 1.00 25.13 H new ATOM 0 HA MET A 29 5.319 8.451 3.529 1.00 62.35 H new ATOM 0 HB2 MET A 29 4.662 11.031 2.042 1.00 13.24 H new ATOM 0 HB3 MET A 29 3.585 9.676 2.314 1.00 13.24 H new ATOM 0 HG2 MET A 29 3.950 10.173 4.857 1.00 71.05 H new ATOM 0 HG3 MET A 29 4.578 11.717 4.317 1.00 71.05 H new ATOM 0 HE1 MET A 29 0.258 10.209 3.657 1.00 15.13 H new ATOM 0 HE2 MET A 29 1.584 9.640 2.614 1.00 15.13 H new ATOM 0 HE3 MET A 29 1.602 9.274 4.355 1.00 15.13 H new ATOM 412 N ASN A 30 6.824 9.709 0.834 1.00 2.13 N ATOM 413 CA ASN A 30 7.421 9.394 -0.490 1.00 32.23 C ATOM 414 C ASN A 30 8.507 8.292 -0.384 1.00 73.52 C ATOM 415 O ASN A 30 8.682 7.490 -1.307 1.00 34.20 O ATOM 416 CB ASN A 30 7.993 10.689 -1.114 1.00 61.40 C ATOM 417 CG ASN A 30 8.604 10.528 -2.508 1.00 64.32 C ATOM 418 OD1 ASN A 30 8.291 9.601 -3.254 1.00 61.15 O ATOM 419 ND2 ASN A 30 9.427 11.475 -2.896 1.00 35.30 N ATOM 0 H ASN A 30 6.999 10.666 1.140 1.00 2.13 H new ATOM 0 HA ASN A 30 6.640 8.999 -1.140 1.00 32.23 H new ATOM 0 HB2 ASN A 30 7.195 11.430 -1.168 1.00 61.40 H new ATOM 0 HB3 ASN A 30 8.755 11.089 -0.445 1.00 61.40 H new ATOM 0 HD21 ASN A 30 9.823 11.453 -3.836 1.00 35.30 H new ATOM 0 HD22 ASN A 30 9.670 12.232 -2.258 1.00 35.30 H new ATOM 426 N HIS A 31 9.216 8.264 0.756 1.00 75.22 N ATOM 427 CA HIS A 31 10.177 7.191 1.078 1.00 0.12 C ATOM 428 C HIS A 31 9.443 5.822 1.178 1.00 4.32 C ATOM 429 O HIS A 31 9.919 4.812 0.662 1.00 20.04 O ATOM 430 CB HIS A 31 10.919 7.523 2.396 1.00 31.41 C ATOM 431 CG HIS A 31 12.046 6.575 2.728 1.00 1.43 C ATOM 432 ND1 HIS A 31 11.881 5.549 3.628 1.00 25.42 N ATOM 433 CD2 HIS A 31 13.316 6.537 2.248 1.00 52.32 C ATOM 434 CE1 HIS A 31 13.039 4.919 3.673 1.00 74.31 C ATOM 435 NE2 HIS A 31 13.936 5.480 2.857 1.00 40.21 N ATOM 0 H HIS A 31 9.142 8.980 1.479 1.00 75.22 H new ATOM 0 HA HIS A 31 10.915 7.120 0.279 1.00 0.12 H new ATOM 0 HB2 HIS A 31 11.318 8.535 2.330 1.00 31.41 H new ATOM 0 HB3 HIS A 31 10.201 7.517 3.216 1.00 31.41 H new ATOM 0 HD2 HIS A 31 13.752 7.211 1.525 1.00 52.32 H new ATOM 0 HE1 HIS A 31 13.237 4.057 4.292 1.00 74.31 H new ATOM 0 HE2 HIS A 31 14.900 5.178 2.715 1.00 40.21 H new ATOM 443 N CYS A 32 8.267 5.821 1.831 1.00 22.05 N ATOM 444 CA CYS A 32 7.393 4.618 1.934 1.00 31.53 C ATOM 445 C CYS A 32 6.729 4.270 0.566 1.00 62.32 C ATOM 446 O CYS A 32 6.543 3.092 0.240 1.00 52.00 O ATOM 447 CB CYS A 32 6.322 4.842 3.024 1.00 54.10 C ATOM 448 SG CYS A 32 6.997 5.180 4.674 1.00 63.21 S ATOM 0 H CYS A 32 7.890 6.643 2.302 1.00 22.05 H new ATOM 0 HA CYS A 32 8.014 3.768 2.214 1.00 31.53 H new ATOM 0 HB2 CYS A 32 5.686 5.676 2.726 1.00 54.10 H new ATOM 0 HB3 CYS A 32 5.685 3.959 3.078 1.00 54.10 H new ATOM 0 HG CYS A 32 7.499 6.379 4.700 1.00 63.21 H new ATOM 454 N TYR A 33 6.406 5.319 -0.229 1.00 33.21 N ATOM 455 CA TYR A 33 5.837 5.188 -1.600 1.00 2.55 C ATOM 456 C TYR A 33 6.835 4.518 -2.564 1.00 42.20 C ATOM 457 O TYR A 33 6.425 3.879 -3.531 1.00 53.02 O ATOM 458 CB TYR A 33 5.389 6.576 -2.176 1.00 15.30 C ATOM 459 CG TYR A 33 3.986 7.038 -1.734 1.00 45.13 C ATOM 460 CD1 TYR A 33 2.873 6.266 -2.053 1.00 12.44 C ATOM 461 CD2 TYR A 33 3.760 8.238 -1.047 1.00 60.22 C ATOM 462 CE1 TYR A 33 1.605 6.658 -1.707 1.00 21.44 C ATOM 463 CE2 TYR A 33 2.485 8.635 -0.688 1.00 21.34 C ATOM 464 CZ TYR A 33 1.410 7.843 -1.023 1.00 11.05 C ATOM 465 OH TYR A 33 0.138 8.246 -0.678 1.00 31.43 O ATOM 0 H TYR A 33 6.533 6.288 0.062 1.00 33.21 H new ATOM 0 HA TYR A 33 4.957 4.551 -1.514 1.00 2.55 H new ATOM 0 HB2 TYR A 33 6.116 7.330 -1.875 1.00 15.30 H new ATOM 0 HB3 TYR A 33 5.414 6.527 -3.265 1.00 15.30 H new ATOM 0 HD1 TYR A 33 3.011 5.337 -2.585 1.00 12.44 H new ATOM 0 HD2 TYR A 33 4.600 8.867 -0.792 1.00 60.22 H new ATOM 0 HE1 TYR A 33 0.759 6.040 -1.969 1.00 21.44 H new ATOM 0 HE2 TYR A 33 2.334 9.559 -0.149 1.00 21.34 H new ATOM 0 HH TYR A 33 -0.034 8.019 0.260 1.00 31.43 H new ATOM 475 N SER A 34 8.143 4.721 -2.302 1.00 73.21 N ATOM 476 CA SER A 34 9.232 4.058 -3.050 1.00 42.22 C ATOM 477 C SER A 34 9.102 2.525 -2.955 1.00 52.14 C ATOM 478 O SER A 34 9.009 1.850 -3.971 1.00 24.42 O ATOM 479 CB SER A 34 10.618 4.501 -2.516 1.00 13.31 C ATOM 480 OG SER A 34 11.685 3.894 -3.239 1.00 60.42 O ATOM 0 H SER A 34 8.473 5.347 -1.568 1.00 73.21 H new ATOM 0 HA SER A 34 9.148 4.356 -4.095 1.00 42.22 H new ATOM 0 HB2 SER A 34 10.704 5.585 -2.585 1.00 13.31 H new ATOM 0 HB3 SER A 34 10.700 4.241 -1.461 1.00 13.31 H new ATOM 0 HG SER A 34 12.542 4.199 -2.875 1.00 60.42 H new ATOM 486 N ARG A 35 9.037 2.007 -1.709 1.00 43.44 N ATOM 487 CA ARG A 35 8.919 0.551 -1.428 1.00 2.23 C ATOM 488 C ARG A 35 7.632 -0.059 -1.992 1.00 1.01 C ATOM 489 O ARG A 35 7.658 -1.192 -2.473 1.00 62.30 O ATOM 490 CB ARG A 35 9.041 0.277 0.098 1.00 71.43 C ATOM 491 CG ARG A 35 10.493 0.078 0.572 1.00 70.02 C ATOM 492 CD ARG A 35 11.068 -1.290 0.150 1.00 31.01 C ATOM 493 NE ARG A 35 12.396 -1.540 0.736 1.00 13.12 N ATOM 494 CZ ARG A 35 13.087 -2.655 0.598 1.00 22.41 C ATOM 495 NH1 ARG A 35 12.672 -3.626 -0.160 1.00 43.53 N ATOM 496 NH2 ARG A 35 14.212 -2.791 1.215 1.00 15.21 N ATOM 0 H ARG A 35 9.064 2.582 -0.867 1.00 43.44 H new ATOM 0 HA ARG A 35 9.746 0.061 -1.942 1.00 2.23 H new ATOM 0 HB2 ARG A 35 8.599 1.110 0.645 1.00 71.43 H new ATOM 0 HB3 ARG A 35 8.461 -0.611 0.347 1.00 71.43 H new ATOM 0 HG2 ARG A 35 11.117 0.873 0.164 1.00 70.02 H new ATOM 0 HG3 ARG A 35 10.533 0.166 1.658 1.00 70.02 H new ATOM 0 HD2 ARG A 35 10.383 -2.080 0.457 1.00 31.01 H new ATOM 0 HD3 ARG A 35 11.138 -1.333 -0.937 1.00 31.01 H new ATOM 0 HE ARG A 35 12.814 -0.793 1.291 1.00 13.12 H new ATOM 0 HH11 ARG A 35 11.791 -3.537 -0.667 1.00 43.53 H new ATOM 0 HH12 ARG A 35 13.227 -4.477 -0.248 1.00 43.53 H new ATOM 0 HH21 ARG A 35 14.564 -2.038 1.807 1.00 15.21 H new ATOM 0 HH22 ARG A 35 14.750 -3.651 1.111 1.00 15.21 H new ATOM 510 N LEU A 36 6.516 0.684 -1.916 1.00 13.10 N ATOM 511 CA LEU A 36 5.269 0.289 -2.593 1.00 1.14 C ATOM 512 C LEU A 36 5.539 0.100 -4.104 1.00 63.01 C ATOM 513 O LEU A 36 5.367 -0.986 -4.630 1.00 4.31 O ATOM 514 CB LEU A 36 4.161 1.345 -2.362 1.00 2.34 C ATOM 515 CG LEU A 36 3.727 1.586 -0.879 1.00 5.33 C ATOM 516 CD1 LEU A 36 2.596 2.633 -0.801 1.00 31.31 C ATOM 517 CD2 LEU A 36 3.324 0.262 -0.177 1.00 23.31 C ATOM 0 H LEU A 36 6.451 1.558 -1.395 1.00 13.10 H new ATOM 0 HA LEU A 36 4.921 -0.655 -2.173 1.00 1.14 H new ATOM 0 HB2 LEU A 36 4.502 2.294 -2.776 1.00 2.34 H new ATOM 0 HB3 LEU A 36 3.281 1.046 -2.931 1.00 2.34 H new ATOM 0 HG LEU A 36 4.589 1.982 -0.342 1.00 5.33 H new ATOM 0 HD11 LEU A 36 2.311 2.784 0.240 1.00 31.31 H new ATOM 0 HD12 LEU A 36 2.944 3.576 -1.222 1.00 31.31 H new ATOM 0 HD13 LEU A 36 1.733 2.279 -1.366 1.00 31.31 H new ATOM 0 HD21 LEU A 36 3.029 0.471 0.851 1.00 23.31 H new ATOM 0 HD22 LEU A 36 2.488 -0.192 -0.709 1.00 23.31 H new ATOM 0 HD23 LEU A 36 4.171 -0.424 -0.179 1.00 23.31 H new ATOM 529 N ARG A 37 6.077 1.157 -4.736 1.00 51.13 N ATOM 530 CA ARG A 37 6.438 1.184 -6.174 1.00 23.43 C ATOM 531 C ARG A 37 7.374 0.008 -6.580 1.00 30.31 C ATOM 532 O ARG A 37 7.305 -0.482 -7.712 1.00 64.32 O ATOM 533 CB ARG A 37 7.130 2.529 -6.490 1.00 3.43 C ATOM 534 CG ARG A 37 7.243 2.828 -7.992 1.00 35.23 C ATOM 535 CD ARG A 37 8.215 3.962 -8.298 1.00 25.55 C ATOM 536 NE ARG A 37 9.609 3.583 -7.979 1.00 24.54 N ATOM 537 CZ ARG A 37 10.692 4.163 -8.446 1.00 44.32 C ATOM 538 NH1 ARG A 37 10.627 5.198 -9.226 1.00 33.14 N ATOM 539 NH2 ARG A 37 11.849 3.694 -8.117 1.00 12.40 N ATOM 0 H ARG A 37 6.279 2.035 -4.258 1.00 51.13 H new ATOM 0 HA ARG A 37 5.519 1.073 -6.750 1.00 23.43 H new ATOM 0 HB2 ARG A 37 6.575 3.335 -6.009 1.00 3.43 H new ATOM 0 HB3 ARG A 37 8.129 2.525 -6.053 1.00 3.43 H new ATOM 0 HG2 ARG A 37 7.567 1.927 -8.514 1.00 35.23 H new ATOM 0 HG3 ARG A 37 6.258 3.085 -8.382 1.00 35.23 H new ATOM 0 HD2 ARG A 37 8.142 4.231 -9.352 1.00 25.55 H new ATOM 0 HD3 ARG A 37 7.937 4.846 -7.724 1.00 25.55 H new ATOM 0 HE ARG A 37 9.742 2.800 -7.338 1.00 24.54 H new ATOM 0 HH11 ARG A 37 9.719 5.581 -9.491 1.00 33.14 H new ATOM 0 HH12 ARG A 37 11.483 5.629 -9.574 1.00 33.14 H new ATOM 0 HH21 ARG A 37 11.914 2.883 -7.502 1.00 12.40 H new ATOM 0 HH22 ARG A 37 12.698 4.134 -8.472 1.00 12.40 H new ATOM 553 N GLU A 38 8.240 -0.445 -5.636 1.00 14.30 N ATOM 554 CA GLU A 38 9.212 -1.540 -5.906 1.00 52.14 C ATOM 555 C GLU A 38 8.505 -2.913 -5.928 1.00 44.24 C ATOM 556 O GLU A 38 8.846 -3.793 -6.726 1.00 62.24 O ATOM 557 CB GLU A 38 10.354 -1.554 -4.847 1.00 40.33 C ATOM 558 CG GLU A 38 11.174 -0.248 -4.745 1.00 4.52 C ATOM 559 CD GLU A 38 11.739 0.237 -6.092 1.00 31.13 C ATOM 560 OE1 GLU A 38 12.743 -0.345 -6.564 1.00 63.12 O ATOM 561 OE2 GLU A 38 11.179 1.187 -6.698 1.00 54.15 O ATOM 0 H GLU A 38 8.286 -0.073 -4.688 1.00 14.30 H new ATOM 0 HA GLU A 38 9.649 -1.352 -6.887 1.00 52.14 H new ATOM 0 HB2 GLU A 38 9.919 -1.768 -3.871 1.00 40.33 H new ATOM 0 HB3 GLU A 38 11.034 -2.374 -5.080 1.00 40.33 H new ATOM 0 HG2 GLU A 38 10.543 0.534 -4.323 1.00 4.52 H new ATOM 0 HG3 GLU A 38 11.999 -0.401 -4.049 1.00 4.52 H new ATOM 568 N LEU A 39 7.521 -3.072 -5.032 1.00 22.31 N ATOM 569 CA LEU A 39 6.766 -4.331 -4.855 1.00 0.21 C ATOM 570 C LEU A 39 5.525 -4.401 -5.784 1.00 35.21 C ATOM 571 O LEU A 39 4.927 -5.466 -5.939 1.00 71.04 O ATOM 572 CB LEU A 39 6.367 -4.449 -3.357 1.00 14.22 C ATOM 573 CG LEU A 39 7.571 -4.397 -2.345 1.00 34.42 C ATOM 574 CD1 LEU A 39 7.098 -4.232 -0.881 1.00 54.22 C ATOM 575 CD2 LEU A 39 8.497 -5.627 -2.504 1.00 71.54 C ATOM 0 H LEU A 39 7.221 -2.328 -4.402 1.00 22.31 H new ATOM 0 HA LEU A 39 7.396 -5.174 -5.138 1.00 0.21 H new ATOM 0 HB2 LEU A 39 5.674 -3.643 -3.116 1.00 14.22 H new ATOM 0 HB3 LEU A 39 5.829 -5.386 -3.212 1.00 14.22 H new ATOM 0 HG LEU A 39 8.153 -3.509 -2.592 1.00 34.42 H new ATOM 0 HD11 LEU A 39 7.964 -4.201 -0.220 1.00 54.22 H new ATOM 0 HD12 LEU A 39 6.534 -3.304 -0.783 1.00 54.22 H new ATOM 0 HD13 LEU A 39 6.462 -5.074 -0.607 1.00 54.22 H new ATOM 0 HD21 LEU A 39 9.318 -5.559 -1.790 1.00 71.54 H new ATOM 0 HD22 LEU A 39 7.928 -6.538 -2.317 1.00 71.54 H new ATOM 0 HD23 LEU A 39 8.898 -5.652 -3.517 1.00 71.54 H new ATOM 587 N VAL A 40 5.159 -3.261 -6.412 1.00 13.20 N ATOM 588 CA VAL A 40 3.981 -3.160 -7.315 1.00 35.12 C ATOM 589 C VAL A 40 4.394 -3.142 -8.818 1.00 12.24 C ATOM 590 O VAL A 40 4.975 -2.157 -9.289 1.00 4.22 O ATOM 591 CB VAL A 40 3.125 -1.875 -6.982 1.00 3.13 C ATOM 592 CG1 VAL A 40 1.944 -1.689 -7.964 1.00 31.31 C ATOM 593 CG2 VAL A 40 2.632 -1.921 -5.518 1.00 20.31 C ATOM 0 H VAL A 40 5.669 -2.384 -6.310 1.00 13.20 H new ATOM 0 HA VAL A 40 3.376 -4.050 -7.143 1.00 35.12 H new ATOM 0 HB VAL A 40 3.773 -1.007 -7.104 1.00 3.13 H new ATOM 0 HG11 VAL A 40 1.385 -0.793 -7.695 1.00 31.31 H new ATOM 0 HG12 VAL A 40 2.328 -1.586 -8.979 1.00 31.31 H new ATOM 0 HG13 VAL A 40 1.286 -2.557 -7.911 1.00 31.31 H new ATOM 0 HG21 VAL A 40 2.044 -1.029 -5.304 1.00 20.31 H new ATOM 0 HG22 VAL A 40 2.015 -2.807 -5.370 1.00 20.31 H new ATOM 0 HG23 VAL A 40 3.490 -1.960 -4.846 1.00 20.31 H new ATOM 603 N PRO A 41 4.082 -4.238 -9.599 1.00 14.40 N ATOM 604 CA PRO A 41 4.288 -4.274 -11.081 1.00 50.12 C ATOM 605 C PRO A 41 3.298 -3.367 -11.861 1.00 12.34 C ATOM 606 O PRO A 41 3.536 -3.056 -13.031 1.00 60.44 O ATOM 607 CB PRO A 41 4.084 -5.785 -11.445 1.00 43.13 C ATOM 608 CG PRO A 41 4.118 -6.511 -10.126 1.00 31.54 C ATOM 609 CD PRO A 41 3.549 -5.539 -9.121 1.00 32.52 C ATOM 0 HA PRO A 41 5.269 -3.888 -11.358 1.00 50.12 H new ATOM 0 HB2 PRO A 41 3.135 -5.943 -11.958 1.00 43.13 H new ATOM 0 HB3 PRO A 41 4.870 -6.140 -12.112 1.00 43.13 H new ATOM 0 HG2 PRO A 41 3.528 -7.426 -10.166 1.00 31.54 H new ATOM 0 HG3 PRO A 41 5.135 -6.799 -9.862 1.00 31.54 H new ATOM 0 HD2 PRO A 41 2.459 -5.554 -9.114 1.00 32.52 H new ATOM 0 HD3 PRO A 41 3.878 -5.765 -8.106 1.00 32.52 H new ATOM 617 N GLY A 42 2.182 -2.971 -11.199 1.00 15.44 N ATOM 618 CA GLY A 42 1.183 -2.051 -11.784 1.00 63.24 C ATOM 619 C GLY A 42 1.745 -0.672 -12.156 1.00 64.44 C ATOM 620 O GLY A 42 1.219 -0.001 -13.055 1.00 54.44 O ATOM 0 H GLY A 42 1.954 -3.279 -10.254 1.00 15.44 H new ATOM 0 HA2 GLY A 42 0.759 -2.512 -12.676 1.00 63.24 H new ATOM 0 HA3 GLY A 42 0.366 -1.919 -11.074 1.00 63.24 H new ATOM 624 N VAL A 43 2.801 -0.241 -11.438 1.00 64.32 N ATOM 625 CA VAL A 43 3.578 0.967 -11.791 1.00 35.54 C ATOM 626 C VAL A 43 4.671 0.582 -12.830 1.00 52.21 C ATOM 627 O VAL A 43 5.572 -0.197 -12.500 1.00 45.51 O ATOM 628 CB VAL A 43 4.254 1.631 -10.528 1.00 25.33 C ATOM 629 CG1 VAL A 43 4.973 2.953 -10.909 1.00 74.31 C ATOM 630 CG2 VAL A 43 3.226 1.850 -9.389 1.00 42.11 C ATOM 0 H VAL A 43 3.139 -0.716 -10.601 1.00 64.32 H new ATOM 0 HA VAL A 43 2.890 1.699 -12.213 1.00 35.54 H new ATOM 0 HB VAL A 43 5.011 0.941 -10.154 1.00 25.33 H new ATOM 0 HG11 VAL A 43 5.429 3.388 -10.020 1.00 74.31 H new ATOM 0 HG12 VAL A 43 5.746 2.747 -11.649 1.00 74.31 H new ATOM 0 HG13 VAL A 43 4.249 3.654 -11.325 1.00 74.31 H new ATOM 0 HG21 VAL A 43 3.723 2.309 -8.534 1.00 42.11 H new ATOM 0 HG22 VAL A 43 2.428 2.505 -9.740 1.00 42.11 H new ATOM 0 HG23 VAL A 43 2.803 0.891 -9.091 1.00 42.11 H new ATOM 640 N PRO A 44 4.607 1.102 -14.105 1.00 23.22 N ATOM 641 CA PRO A 44 5.579 0.726 -15.166 1.00 44.14 C ATOM 642 C PRO A 44 6.961 1.432 -15.010 1.00 3.53 C ATOM 643 O PRO A 44 7.275 2.378 -15.737 1.00 62.23 O ATOM 644 CB PRO A 44 4.835 1.134 -16.467 1.00 64.44 C ATOM 645 CG PRO A 44 3.983 2.306 -16.066 1.00 2.24 C ATOM 646 CD PRO A 44 3.592 2.076 -14.613 1.00 24.34 C ATOM 0 HA PRO A 44 5.848 -0.330 -15.140 1.00 44.14 H new ATOM 0 HB2 PRO A 44 5.536 1.405 -17.256 1.00 64.44 H new ATOM 0 HB3 PRO A 44 4.227 0.314 -16.849 1.00 64.44 H new ATOM 0 HG2 PRO A 44 4.532 3.241 -16.177 1.00 2.24 H new ATOM 0 HG3 PRO A 44 3.099 2.378 -16.699 1.00 2.24 H new ATOM 0 HD2 PRO A 44 3.613 3.005 -14.044 1.00 24.34 H new ATOM 0 HD3 PRO A 44 2.581 1.676 -14.532 1.00 24.34 H new ATOM 654 N ARG A 45 7.773 0.953 -14.037 1.00 63.11 N ATOM 655 CA ARG A 45 9.121 1.514 -13.718 1.00 25.34 C ATOM 656 C ARG A 45 9.043 3.025 -13.303 1.00 41.23 C ATOM 657 O ARG A 45 8.014 3.480 -12.766 1.00 60.11 O ATOM 658 CB ARG A 45 10.101 1.293 -14.920 1.00 43.41 C ATOM 659 CG ARG A 45 10.400 -0.182 -15.255 1.00 15.30 C ATOM 660 CD ARG A 45 11.348 -0.324 -16.463 1.00 30.10 C ATOM 661 NE ARG A 45 10.779 0.309 -17.673 1.00 33.21 N ATOM 662 CZ ARG A 45 11.457 0.711 -18.730 1.00 10.24 C ATOM 663 NH1 ARG A 45 12.747 0.586 -18.803 1.00 53.21 N ATOM 664 NH2 ARG A 45 10.819 1.253 -19.714 1.00 55.34 N ATOM 0 H ARG A 45 7.516 0.163 -13.445 1.00 63.11 H new ATOM 0 HA ARG A 45 9.514 0.976 -12.855 1.00 25.34 H new ATOM 0 HB2 ARG A 45 9.681 1.773 -15.804 1.00 43.41 H new ATOM 0 HB3 ARG A 45 11.042 1.798 -14.700 1.00 43.41 H new ATOM 0 HG2 ARG A 45 10.846 -0.667 -14.387 1.00 15.30 H new ATOM 0 HG3 ARG A 45 9.465 -0.702 -15.466 1.00 15.30 H new ATOM 0 HD2 ARG A 45 12.309 0.134 -16.229 1.00 30.10 H new ATOM 0 HD3 ARG A 45 11.537 -1.380 -16.657 1.00 30.10 H new ATOM 0 HE ARG A 45 9.769 0.447 -17.691 1.00 33.21 H new ATOM 0 HH11 ARG A 45 13.263 0.167 -18.029 1.00 53.21 H new ATOM 0 HH12 ARG A 45 13.244 0.906 -19.634 1.00 53.21 H new ATOM 0 HH21 ARG A 45 9.806 1.364 -19.666 1.00 55.34 H new ATOM 0 HH22 ARG A 45 11.328 1.570 -20.539 1.00 55.34 H new ATOM 678 N GLY A 46 10.135 3.793 -13.530 1.00 74.02 N ATOM 679 CA GLY A 46 10.168 5.235 -13.244 1.00 20.23 C ATOM 680 C GLY A 46 9.485 6.106 -14.312 1.00 53.13 C ATOM 681 O GLY A 46 10.116 6.983 -14.913 1.00 43.01 O ATOM 0 H GLY A 46 11.007 3.428 -13.913 1.00 74.02 H new ATOM 0 HA2 GLY A 46 9.686 5.414 -12.283 1.00 20.23 H new ATOM 0 HA3 GLY A 46 11.207 5.550 -13.144 1.00 20.23 H new ATOM 685 N THR A 47 8.175 5.863 -14.541 1.00 34.14 N ATOM 686 CA THR A 47 7.302 6.728 -15.385 1.00 21.15 C ATOM 687 C THR A 47 6.907 8.029 -14.614 1.00 44.44 C ATOM 688 O THR A 47 6.436 9.004 -15.214 1.00 3.11 O ATOM 689 CB THR A 47 6.023 5.924 -15.852 1.00 25.52 C ATOM 690 OG1 THR A 47 6.434 4.793 -16.638 1.00 21.35 O ATOM 691 CG2 THR A 47 5.026 6.747 -16.698 1.00 44.32 C ATOM 0 H THR A 47 7.686 5.059 -14.147 1.00 34.14 H new ATOM 0 HA THR A 47 7.856 7.026 -16.275 1.00 21.15 H new ATOM 0 HB THR A 47 5.508 5.633 -14.937 1.00 25.52 H new ATOM 0 HG1 THR A 47 6.703 4.062 -16.043 1.00 21.35 H new ATOM 0 HG21 THR A 47 4.179 6.119 -16.975 1.00 44.32 H new ATOM 0 HG22 THR A 47 4.672 7.598 -16.117 1.00 44.32 H new ATOM 0 HG23 THR A 47 5.523 7.105 -17.600 1.00 44.32 H new ATOM 699 N GLN A 48 7.153 8.023 -13.278 1.00 14.40 N ATOM 700 CA GLN A 48 6.920 9.167 -12.359 1.00 24.44 C ATOM 701 C GLN A 48 5.406 9.450 -12.149 1.00 44.02 C ATOM 702 O GLN A 48 4.791 10.233 -12.880 1.00 34.11 O ATOM 703 CB GLN A 48 7.691 10.455 -12.812 1.00 53.34 C ATOM 704 CG GLN A 48 9.228 10.290 -12.884 1.00 55.34 C ATOM 705 CD GLN A 48 9.947 11.549 -13.387 1.00 44.43 C ATOM 706 OE1 GLN A 48 10.318 12.426 -12.610 1.00 64.33 O ATOM 707 NE2 GLN A 48 10.141 11.653 -14.688 1.00 31.12 N ATOM 0 H GLN A 48 7.527 7.204 -12.800 1.00 14.40 H new ATOM 0 HA GLN A 48 7.328 8.874 -11.391 1.00 24.44 H new ATOM 0 HB2 GLN A 48 7.324 10.757 -13.793 1.00 53.34 H new ATOM 0 HB3 GLN A 48 7.457 11.265 -12.121 1.00 53.34 H new ATOM 0 HG2 GLN A 48 9.606 10.034 -11.894 1.00 55.34 H new ATOM 0 HG3 GLN A 48 9.467 9.455 -13.543 1.00 55.34 H new ATOM 0 HE21 GLN A 48 9.824 10.911 -15.312 1.00 31.12 H new ATOM 0 HE22 GLN A 48 10.608 12.475 -15.070 1.00 31.12 H new ATOM 716 N LEU A 49 4.821 8.751 -11.162 1.00 63.30 N ATOM 717 CA LEU A 49 3.433 8.978 -10.687 1.00 60.34 C ATOM 718 C LEU A 49 3.471 9.825 -9.398 1.00 22.42 C ATOM 719 O LEU A 49 4.428 9.715 -8.623 1.00 11.41 O ATOM 720 CB LEU A 49 2.739 7.614 -10.430 1.00 52.53 C ATOM 721 CG LEU A 49 2.629 6.660 -11.667 1.00 4.53 C ATOM 722 CD1 LEU A 49 2.011 5.301 -11.272 1.00 33.35 C ATOM 723 CD2 LEU A 49 1.840 7.321 -12.829 1.00 4.04 C ATOM 0 H LEU A 49 5.299 8.002 -10.661 1.00 63.30 H new ATOM 0 HA LEU A 49 2.863 9.515 -11.445 1.00 60.34 H new ATOM 0 HB2 LEU A 49 3.283 7.094 -9.642 1.00 52.53 H new ATOM 0 HB3 LEU A 49 1.735 7.805 -10.052 1.00 52.53 H new ATOM 0 HG LEU A 49 3.641 6.473 -12.026 1.00 4.53 H new ATOM 0 HD11 LEU A 49 1.948 4.661 -12.152 1.00 33.35 H new ATOM 0 HD12 LEU A 49 2.637 4.822 -10.519 1.00 33.35 H new ATOM 0 HD13 LEU A 49 1.012 5.460 -10.866 1.00 33.35 H new ATOM 0 HD21 LEU A 49 1.784 6.630 -13.670 1.00 4.04 H new ATOM 0 HD22 LEU A 49 0.833 7.565 -12.492 1.00 4.04 H new ATOM 0 HD23 LEU A 49 2.349 8.233 -13.142 1.00 4.04 H new ATOM 735 N SER A 50 2.429 10.646 -9.156 1.00 55.30 N ATOM 736 CA SER A 50 2.450 11.634 -8.046 1.00 61.13 C ATOM 737 C SER A 50 2.315 10.942 -6.671 1.00 1.13 C ATOM 738 O SER A 50 3.301 10.811 -5.949 1.00 54.40 O ATOM 739 CB SER A 50 1.341 12.697 -8.220 1.00 24.14 C ATOM 740 OG SER A 50 1.289 13.192 -9.550 1.00 51.30 O ATOM 0 H SER A 50 1.569 10.649 -9.705 1.00 55.30 H new ATOM 0 HA SER A 50 3.417 12.136 -8.082 1.00 61.13 H new ATOM 0 HB2 SER A 50 0.377 12.263 -7.956 1.00 24.14 H new ATOM 0 HB3 SER A 50 1.518 13.523 -7.531 1.00 24.14 H new ATOM 0 HG SER A 50 0.516 12.807 -10.012 1.00 51.30 H new ATOM 746 N GLN A 51 1.099 10.460 -6.326 1.00 21.33 N ATOM 747 CA GLN A 51 0.835 9.898 -4.976 1.00 44.00 C ATOM 748 C GLN A 51 -0.388 8.941 -4.959 1.00 74.42 C ATOM 749 O GLN A 51 -0.270 7.785 -4.530 1.00 40.40 O ATOM 750 CB GLN A 51 0.693 11.061 -3.934 1.00 45.32 C ATOM 751 CG GLN A 51 -0.280 12.195 -4.348 1.00 74.11 C ATOM 752 CD GLN A 51 -0.273 13.419 -3.422 1.00 3.02 C ATOM 753 OE1 GLN A 51 0.730 13.746 -2.800 1.00 34.24 O ATOM 754 NE2 GLN A 51 -1.394 14.116 -3.338 1.00 15.42 N ATOM 0 H GLN A 51 0.294 10.447 -6.952 1.00 21.33 H new ATOM 0 HA GLN A 51 1.689 9.284 -4.692 1.00 44.00 H new ATOM 0 HB2 GLN A 51 0.356 10.641 -2.987 1.00 45.32 H new ATOM 0 HB3 GLN A 51 1.678 11.494 -3.758 1.00 45.32 H new ATOM 0 HG2 GLN A 51 -0.029 12.519 -5.358 1.00 74.11 H new ATOM 0 HG3 GLN A 51 -1.292 11.791 -4.385 1.00 74.11 H new ATOM 0 HE21 GLN A 51 -2.217 13.824 -3.866 1.00 15.42 H new ATOM 0 HE22 GLN A 51 -1.436 14.945 -2.746 1.00 15.42 H new ATOM 763 N VAL A 52 -1.560 9.415 -5.440 1.00 24.21 N ATOM 764 CA VAL A 52 -2.818 8.619 -5.419 1.00 12.15 C ATOM 765 C VAL A 52 -2.776 7.479 -6.475 1.00 23.23 C ATOM 766 O VAL A 52 -3.308 6.390 -6.241 1.00 22.24 O ATOM 767 CB VAL A 52 -4.101 9.518 -5.634 1.00 11.30 C ATOM 768 CG1 VAL A 52 -5.395 8.719 -5.341 1.00 51.34 C ATOM 769 CG2 VAL A 52 -4.045 10.802 -4.769 1.00 61.25 C ATOM 0 H VAL A 52 -1.665 10.344 -5.848 1.00 24.21 H new ATOM 0 HA VAL A 52 -2.891 8.176 -4.426 1.00 12.15 H new ATOM 0 HB VAL A 52 -4.115 9.821 -6.681 1.00 11.30 H new ATOM 0 HG11 VAL A 52 -6.262 9.361 -5.497 1.00 51.34 H new ATOM 0 HG12 VAL A 52 -5.453 7.862 -6.012 1.00 51.34 H new ATOM 0 HG13 VAL A 52 -5.382 8.371 -4.308 1.00 51.34 H new ATOM 0 HG21 VAL A 52 -4.942 11.396 -4.942 1.00 61.25 H new ATOM 0 HG22 VAL A 52 -3.988 10.529 -3.715 1.00 61.25 H new ATOM 0 HG23 VAL A 52 -3.165 11.386 -5.041 1.00 61.25 H new ATOM 779 N GLU A 53 -2.123 7.758 -7.629 1.00 61.10 N ATOM 780 CA GLU A 53 -1.857 6.760 -8.696 1.00 72.41 C ATOM 781 C GLU A 53 -1.150 5.511 -8.146 1.00 54.34 C ATOM 782 O GLU A 53 -1.547 4.385 -8.456 1.00 11.43 O ATOM 783 CB GLU A 53 -0.995 7.389 -9.834 1.00 35.12 C ATOM 784 CG GLU A 53 -1.779 8.227 -10.854 1.00 63.44 C ATOM 785 CD GLU A 53 -2.825 7.404 -11.620 1.00 72.25 C ATOM 786 OE1 GLU A 53 -2.434 6.526 -12.421 1.00 24.42 O ATOM 787 OE2 GLU A 53 -4.043 7.615 -11.417 1.00 15.24 O ATOM 0 H GLU A 53 -1.763 8.687 -7.848 1.00 61.10 H new ATOM 0 HA GLU A 53 -2.823 6.456 -9.098 1.00 72.41 H new ATOM 0 HB2 GLU A 53 -0.228 8.018 -9.383 1.00 35.12 H new ATOM 0 HB3 GLU A 53 -0.480 6.588 -10.364 1.00 35.12 H new ATOM 0 HG2 GLU A 53 -2.276 9.048 -10.338 1.00 63.44 H new ATOM 0 HG3 GLU A 53 -1.082 8.672 -11.564 1.00 63.44 H new ATOM 794 N ILE A 54 -0.105 5.736 -7.324 1.00 13.31 N ATOM 795 CA ILE A 54 0.630 4.657 -6.644 1.00 32.44 C ATOM 796 C ILE A 54 -0.333 3.826 -5.762 1.00 2.02 C ATOM 797 O ILE A 54 -0.441 2.623 -5.956 1.00 61.02 O ATOM 798 CB ILE A 54 1.834 5.231 -5.792 1.00 33.21 C ATOM 799 CG1 ILE A 54 2.883 5.929 -6.731 1.00 14.32 C ATOM 800 CG2 ILE A 54 2.504 4.134 -4.913 1.00 32.22 C ATOM 801 CD1 ILE A 54 4.072 6.565 -6.017 1.00 35.53 C ATOM 0 H ILE A 54 0.250 6.669 -7.115 1.00 13.31 H new ATOM 0 HA ILE A 54 1.054 4.000 -7.404 1.00 32.44 H new ATOM 0 HB ILE A 54 1.430 5.977 -5.108 1.00 33.21 H new ATOM 0 HG12 ILE A 54 3.258 5.192 -7.441 1.00 14.32 H new ATOM 0 HG13 ILE A 54 2.373 6.699 -7.310 1.00 14.32 H new ATOM 0 HG21 ILE A 54 3.325 4.573 -4.346 1.00 32.22 H new ATOM 0 HG22 ILE A 54 1.768 3.720 -4.224 1.00 32.22 H new ATOM 0 HG23 ILE A 54 2.889 3.340 -5.553 1.00 32.22 H new ATOM 0 HD11 ILE A 54 4.737 7.020 -6.751 1.00 35.53 H new ATOM 0 HD12 ILE A 54 3.716 7.330 -5.328 1.00 35.53 H new ATOM 0 HD13 ILE A 54 4.614 5.800 -5.461 1.00 35.53 H new ATOM 813 N LEU A 55 -1.076 4.510 -4.861 1.00 43.11 N ATOM 814 CA LEU A 55 -2.046 3.875 -3.919 1.00 42.41 C ATOM 815 C LEU A 55 -3.052 2.922 -4.621 1.00 10.12 C ATOM 816 O LEU A 55 -3.262 1.795 -4.168 1.00 51.25 O ATOM 817 CB LEU A 55 -2.833 4.975 -3.163 1.00 53.42 C ATOM 818 CG LEU A 55 -2.033 5.838 -2.148 1.00 52.21 C ATOM 819 CD1 LEU A 55 -2.898 7.002 -1.616 1.00 71.12 C ATOM 820 CD2 LEU A 55 -1.487 4.968 -0.987 1.00 44.12 C ATOM 0 H LEU A 55 -1.024 5.524 -4.761 1.00 43.11 H new ATOM 0 HA LEU A 55 -1.458 3.270 -3.229 1.00 42.41 H new ATOM 0 HB2 LEU A 55 -3.277 5.643 -3.901 1.00 53.42 H new ATOM 0 HB3 LEU A 55 -3.655 4.498 -2.629 1.00 53.42 H new ATOM 0 HG LEU A 55 -1.178 6.268 -2.669 1.00 52.21 H new ATOM 0 HD11 LEU A 55 -2.317 7.592 -0.907 1.00 71.12 H new ATOM 0 HD12 LEU A 55 -3.208 7.635 -2.448 1.00 71.12 H new ATOM 0 HD13 LEU A 55 -3.780 6.601 -1.117 1.00 71.12 H new ATOM 0 HD21 LEU A 55 -0.931 5.597 -0.291 1.00 44.12 H new ATOM 0 HD22 LEU A 55 -2.319 4.496 -0.464 1.00 44.12 H new ATOM 0 HD23 LEU A 55 -0.827 4.199 -1.388 1.00 44.12 H new ATOM 832 N GLN A 56 -3.655 3.404 -5.724 1.00 21.14 N ATOM 833 CA GLN A 56 -4.631 2.627 -6.534 1.00 71.04 C ATOM 834 C GLN A 56 -4.002 1.329 -7.092 1.00 22.02 C ATOM 835 O GLN A 56 -4.628 0.263 -7.086 1.00 54.22 O ATOM 836 CB GLN A 56 -5.164 3.502 -7.707 1.00 61.10 C ATOM 837 CG GLN A 56 -5.948 4.763 -7.275 1.00 34.05 C ATOM 838 CD GLN A 56 -6.422 5.635 -8.450 1.00 63.54 C ATOM 839 OE1 GLN A 56 -6.686 5.144 -9.545 1.00 30.01 O ATOM 840 NE2 GLN A 56 -6.545 6.931 -8.229 1.00 1.21 N ATOM 0 H GLN A 56 -3.484 4.343 -6.084 1.00 21.14 H new ATOM 0 HA GLN A 56 -5.457 2.346 -5.881 1.00 71.04 H new ATOM 0 HB2 GLN A 56 -4.320 3.810 -8.324 1.00 61.10 H new ATOM 0 HB3 GLN A 56 -5.810 2.888 -8.335 1.00 61.10 H new ATOM 0 HG2 GLN A 56 -6.815 4.457 -6.690 1.00 34.05 H new ATOM 0 HG3 GLN A 56 -5.317 5.364 -6.620 1.00 34.05 H new ATOM 0 HE21 GLN A 56 -6.320 7.316 -7.311 1.00 1.21 H new ATOM 0 HE22 GLN A 56 -6.865 7.548 -8.976 1.00 1.21 H new ATOM 849 N ARG A 57 -2.753 1.451 -7.579 1.00 12.22 N ATOM 850 CA ARG A 57 -1.984 0.325 -8.147 1.00 43.54 C ATOM 851 C ARG A 57 -1.435 -0.630 -7.047 1.00 32.24 C ATOM 852 O ARG A 57 -1.177 -1.804 -7.323 1.00 11.30 O ATOM 853 CB ARG A 57 -0.859 0.881 -9.061 1.00 2.35 C ATOM 854 CG ARG A 57 -1.390 1.778 -10.212 1.00 60.23 C ATOM 855 CD ARG A 57 -0.278 2.414 -11.061 1.00 22.22 C ATOM 856 NE ARG A 57 -0.814 3.419 -12.007 1.00 44.03 N ATOM 857 CZ ARG A 57 -0.596 3.458 -13.306 1.00 30.31 C ATOM 858 NH1 ARG A 57 0.080 2.528 -13.905 1.00 15.23 N ATOM 859 NH2 ARG A 57 -1.092 4.421 -14.005 1.00 32.41 N ATOM 0 H ARG A 57 -2.246 2.336 -7.590 1.00 12.22 H new ATOM 0 HA ARG A 57 -2.654 -0.285 -8.752 1.00 43.54 H new ATOM 0 HB2 ARG A 57 -0.159 1.456 -8.455 1.00 2.35 H new ATOM 0 HB3 ARG A 57 -0.301 0.047 -9.487 1.00 2.35 H new ATOM 0 HG2 ARG A 57 -2.033 1.181 -10.859 1.00 60.23 H new ATOM 0 HG3 ARG A 57 -2.009 2.569 -9.789 1.00 60.23 H new ATOM 0 HD2 ARG A 57 0.454 2.886 -10.406 1.00 22.22 H new ATOM 0 HD3 ARG A 57 0.246 1.636 -11.616 1.00 22.22 H new ATOM 0 HE ARG A 57 -1.408 4.150 -11.616 1.00 44.03 H new ATOM 0 HH11 ARG A 57 0.456 1.745 -13.370 1.00 15.23 H new ATOM 0 HH12 ARG A 57 0.236 2.579 -14.912 1.00 15.23 H new ATOM 0 HH21 ARG A 57 -1.649 5.146 -13.552 1.00 32.41 H new ATOM 0 HH22 ARG A 57 -0.928 4.458 -15.011 1.00 32.41 H new ATOM 873 N VAL A 58 -1.271 -0.123 -5.798 1.00 42.12 N ATOM 874 CA VAL A 58 -0.912 -0.967 -4.627 1.00 31.53 C ATOM 875 C VAL A 58 -2.086 -1.906 -4.278 1.00 11.21 C ATOM 876 O VAL A 58 -1.881 -3.100 -4.068 1.00 74.22 O ATOM 877 CB VAL A 58 -0.508 -0.122 -3.354 1.00 51.23 C ATOM 878 CG1 VAL A 58 -0.194 -1.034 -2.136 1.00 10.40 C ATOM 879 CG2 VAL A 58 0.694 0.799 -3.654 1.00 62.42 C ATOM 0 H VAL A 58 -1.382 0.866 -5.575 1.00 42.12 H new ATOM 0 HA VAL A 58 -0.035 -1.547 -4.914 1.00 31.53 H new ATOM 0 HB VAL A 58 -1.366 0.499 -3.099 1.00 51.23 H new ATOM 0 HG11 VAL A 58 0.080 -0.417 -1.280 1.00 10.40 H new ATOM 0 HG12 VAL A 58 -1.075 -1.627 -1.889 1.00 10.40 H new ATOM 0 HG13 VAL A 58 0.634 -1.699 -2.383 1.00 10.40 H new ATOM 0 HG21 VAL A 58 0.949 1.368 -2.760 1.00 62.42 H new ATOM 0 HG22 VAL A 58 1.549 0.194 -3.956 1.00 62.42 H new ATOM 0 HG23 VAL A 58 0.434 1.486 -4.459 1.00 62.42 H new ATOM 889 N ILE A 59 -3.314 -1.341 -4.243 1.00 32.11 N ATOM 890 CA ILE A 59 -4.566 -2.123 -4.079 1.00 61.21 C ATOM 891 C ILE A 59 -4.660 -3.211 -5.176 1.00 2.30 C ATOM 892 O ILE A 59 -4.936 -4.366 -4.886 1.00 53.23 O ATOM 893 CB ILE A 59 -5.838 -1.198 -4.170 1.00 62.42 C ATOM 894 CG1 ILE A 59 -5.771 -0.038 -3.133 1.00 33.12 C ATOM 895 CG2 ILE A 59 -7.151 -2.013 -3.994 1.00 3.02 C ATOM 896 CD1 ILE A 59 -6.881 0.986 -3.275 1.00 3.42 C ATOM 0 H ILE A 59 -3.468 -0.336 -4.327 1.00 32.11 H new ATOM 0 HA ILE A 59 -4.538 -2.585 -3.092 1.00 61.21 H new ATOM 0 HB ILE A 59 -5.845 -0.761 -5.168 1.00 62.42 H new ATOM 0 HG12 ILE A 59 -5.808 -0.460 -2.129 1.00 33.12 H new ATOM 0 HG13 ILE A 59 -4.810 0.468 -3.231 1.00 33.12 H new ATOM 0 HG21 ILE A 59 -8.007 -1.342 -4.063 1.00 3.02 H new ATOM 0 HG22 ILE A 59 -7.218 -2.768 -4.777 1.00 3.02 H new ATOM 0 HG23 ILE A 59 -7.149 -2.500 -3.019 1.00 3.02 H new ATOM 0 HD11 ILE A 59 -6.762 1.759 -2.516 1.00 3.42 H new ATOM 0 HD12 ILE A 59 -6.834 1.439 -4.265 1.00 3.42 H new ATOM 0 HD13 ILE A 59 -7.846 0.497 -3.146 1.00 3.42 H new ATOM 908 N ASP A 60 -4.384 -2.796 -6.429 1.00 22.23 N ATOM 909 CA ASP A 60 -4.363 -3.682 -7.619 1.00 40.14 C ATOM 910 C ASP A 60 -3.382 -4.877 -7.441 1.00 44.05 C ATOM 911 O ASP A 60 -3.710 -6.021 -7.782 1.00 20.54 O ATOM 912 CB ASP A 60 -3.993 -2.824 -8.860 1.00 72.31 C ATOM 913 CG ASP A 60 -3.945 -3.615 -10.174 1.00 41.22 C ATOM 914 OD1 ASP A 60 -5.016 -4.000 -10.680 1.00 51.02 O ATOM 915 OD2 ASP A 60 -2.836 -3.860 -10.702 1.00 34.21 O ATOM 0 H ASP A 60 -4.166 -1.824 -6.650 1.00 22.23 H new ATOM 0 HA ASP A 60 -5.350 -4.123 -7.755 1.00 40.14 H new ATOM 0 HB2 ASP A 60 -4.719 -2.017 -8.960 1.00 72.31 H new ATOM 0 HB3 ASP A 60 -3.021 -2.360 -8.691 1.00 72.31 H new ATOM 920 N TYR A 61 -2.184 -4.586 -6.890 1.00 73.22 N ATOM 921 CA TYR A 61 -1.166 -5.616 -6.566 1.00 33.22 C ATOM 922 C TYR A 61 -1.680 -6.612 -5.501 1.00 12.31 C ATOM 923 O TYR A 61 -1.520 -7.824 -5.647 1.00 40.52 O ATOM 924 CB TYR A 61 0.152 -4.942 -6.077 1.00 3.44 C ATOM 925 CG TYR A 61 1.180 -5.918 -5.458 1.00 25.40 C ATOM 926 CD1 TYR A 61 1.856 -6.855 -6.246 1.00 73.43 C ATOM 927 CD2 TYR A 61 1.452 -5.909 -4.084 1.00 74.12 C ATOM 928 CE1 TYR A 61 2.762 -7.739 -5.694 1.00 23.44 C ATOM 929 CE2 TYR A 61 2.363 -6.787 -3.534 1.00 61.41 C ATOM 930 CZ TYR A 61 3.015 -7.699 -4.340 1.00 13.14 C ATOM 931 OH TYR A 61 3.912 -8.586 -3.785 1.00 52.35 O ATOM 0 H TYR A 61 -1.894 -3.636 -6.657 1.00 73.22 H new ATOM 0 HA TYR A 61 -0.965 -6.177 -7.479 1.00 33.22 H new ATOM 0 HB2 TYR A 61 0.617 -4.430 -6.919 1.00 3.44 H new ATOM 0 HB3 TYR A 61 -0.097 -4.180 -5.339 1.00 3.44 H new ATOM 0 HD1 TYR A 61 1.665 -6.888 -7.309 1.00 73.43 H new ATOM 0 HD2 TYR A 61 0.941 -5.204 -3.445 1.00 74.12 H new ATOM 0 HE1 TYR A 61 3.270 -8.458 -6.320 1.00 23.44 H new ATOM 0 HE2 TYR A 61 2.566 -6.761 -2.474 1.00 61.41 H new ATOM 0 HH TYR A 61 4.596 -8.818 -4.448 1.00 52.35 H new ATOM 941 N ILE A 62 -2.282 -6.082 -4.425 1.00 12.22 N ATOM 942 CA ILE A 62 -2.762 -6.905 -3.299 1.00 0.23 C ATOM 943 C ILE A 62 -3.975 -7.784 -3.721 1.00 11.13 C ATOM 944 O ILE A 62 -4.081 -8.934 -3.306 1.00 3.43 O ATOM 945 CB ILE A 62 -3.122 -6.018 -2.049 1.00 1.03 C ATOM 946 CG1 ILE A 62 -1.907 -5.122 -1.616 1.00 32.10 C ATOM 947 CG2 ILE A 62 -3.583 -6.904 -0.870 1.00 13.12 C ATOM 948 CD1 ILE A 62 -2.204 -4.148 -0.478 1.00 12.52 C ATOM 0 H ILE A 62 -2.449 -5.083 -4.309 1.00 12.22 H new ATOM 0 HA ILE A 62 -1.947 -7.569 -3.012 1.00 0.23 H new ATOM 0 HB ILE A 62 -3.942 -5.359 -2.334 1.00 1.03 H new ATOM 0 HG12 ILE A 62 -1.084 -5.771 -1.315 1.00 32.10 H new ATOM 0 HG13 ILE A 62 -1.565 -4.554 -2.482 1.00 32.10 H new ATOM 0 HG21 ILE A 62 -3.828 -6.274 -0.015 1.00 13.12 H new ATOM 0 HG22 ILE A 62 -4.465 -7.473 -1.165 1.00 13.12 H new ATOM 0 HG23 ILE A 62 -2.782 -7.591 -0.597 1.00 13.12 H new ATOM 0 HD11 ILE A 62 -1.307 -3.573 -0.248 1.00 12.52 H new ATOM 0 HD12 ILE A 62 -3.003 -3.470 -0.778 1.00 12.52 H new ATOM 0 HD13 ILE A 62 -2.514 -4.705 0.406 1.00 12.52 H new ATOM 960 N LEU A 63 -4.860 -7.235 -4.579 1.00 25.31 N ATOM 961 CA LEU A 63 -6.025 -7.973 -5.139 1.00 3.12 C ATOM 962 C LEU A 63 -5.575 -9.092 -6.107 1.00 54.22 C ATOM 963 O LEU A 63 -6.261 -10.101 -6.256 1.00 10.55 O ATOM 964 CB LEU A 63 -7.008 -7.001 -5.852 1.00 33.22 C ATOM 965 CG LEU A 63 -7.720 -5.946 -4.946 1.00 43.43 C ATOM 966 CD1 LEU A 63 -8.672 -5.050 -5.772 1.00 21.41 C ATOM 967 CD2 LEU A 63 -8.459 -6.632 -3.775 1.00 73.33 C ATOM 0 H LEU A 63 -4.793 -6.271 -4.906 1.00 25.31 H new ATOM 0 HA LEU A 63 -6.546 -8.441 -4.304 1.00 3.12 H new ATOM 0 HB2 LEU A 63 -6.459 -6.469 -6.629 1.00 33.22 H new ATOM 0 HB3 LEU A 63 -7.773 -7.595 -6.352 1.00 33.22 H new ATOM 0 HG LEU A 63 -6.954 -5.298 -4.519 1.00 43.43 H new ATOM 0 HD11 LEU A 63 -9.153 -4.326 -5.114 1.00 21.41 H new ATOM 0 HD12 LEU A 63 -8.103 -4.523 -6.537 1.00 21.41 H new ATOM 0 HD13 LEU A 63 -9.433 -5.669 -6.248 1.00 21.41 H new ATOM 0 HD21 LEU A 63 -8.946 -5.876 -3.159 1.00 73.33 H new ATOM 0 HD22 LEU A 63 -9.209 -7.317 -4.170 1.00 73.33 H new ATOM 0 HD23 LEU A 63 -7.743 -7.188 -3.169 1.00 73.33 H new ATOM 979 N ASP A 64 -4.426 -8.887 -6.766 1.00 33.21 N ATOM 980 CA ASP A 64 -3.761 -9.937 -7.570 1.00 2.02 C ATOM 981 C ASP A 64 -3.378 -11.164 -6.690 1.00 24.44 C ATOM 982 O ASP A 64 -3.463 -12.316 -7.132 1.00 63.21 O ATOM 983 CB ASP A 64 -2.516 -9.340 -8.275 1.00 31.23 C ATOM 984 CG ASP A 64 -1.728 -10.361 -9.106 1.00 63.53 C ATOM 985 OD1 ASP A 64 -2.244 -10.804 -10.155 1.00 42.23 O ATOM 986 OD2 ASP A 64 -0.597 -10.725 -8.719 1.00 52.55 O ATOM 0 H ASP A 64 -3.929 -7.996 -6.761 1.00 33.21 H new ATOM 0 HA ASP A 64 -4.458 -10.293 -8.329 1.00 2.02 H new ATOM 0 HB2 ASP A 64 -2.834 -8.524 -8.924 1.00 31.23 H new ATOM 0 HB3 ASP A 64 -1.855 -8.910 -7.523 1.00 31.23 H new ATOM 991 N LEU A 65 -2.975 -10.882 -5.435 1.00 61.43 N ATOM 992 CA LEU A 65 -2.586 -11.914 -4.443 1.00 52.31 C ATOM 993 C LEU A 65 -3.817 -12.533 -3.730 1.00 43.11 C ATOM 994 O LEU A 65 -3.835 -13.732 -3.446 1.00 64.40 O ATOM 995 CB LEU A 65 -1.630 -11.290 -3.384 1.00 41.31 C ATOM 996 CG LEU A 65 -0.393 -10.517 -3.946 1.00 53.41 C ATOM 997 CD1 LEU A 65 0.499 -9.969 -2.808 1.00 32.54 C ATOM 998 CD2 LEU A 65 0.420 -11.389 -4.935 1.00 75.42 C ATOM 0 H LEU A 65 -2.909 -9.930 -5.076 1.00 61.43 H new ATOM 0 HA LEU A 65 -2.079 -12.714 -4.983 1.00 52.31 H new ATOM 0 HB2 LEU A 65 -2.207 -10.607 -2.761 1.00 41.31 H new ATOM 0 HB3 LEU A 65 -1.270 -12.088 -2.734 1.00 41.31 H new ATOM 0 HG LEU A 65 -0.771 -9.660 -4.503 1.00 53.41 H new ATOM 0 HD11 LEU A 65 1.349 -9.438 -3.236 1.00 32.54 H new ATOM 0 HD12 LEU A 65 -0.081 -9.286 -2.188 1.00 32.54 H new ATOM 0 HD13 LEU A 65 0.859 -10.797 -2.197 1.00 32.54 H new ATOM 0 HD21 LEU A 65 1.272 -10.820 -5.306 1.00 75.42 H new ATOM 0 HD22 LEU A 65 0.776 -12.284 -4.424 1.00 75.42 H new ATOM 0 HD23 LEU A 65 -0.215 -11.678 -5.772 1.00 75.42 H new ATOM 1010 N GLN A 66 -4.833 -11.694 -3.445 1.00 12.14 N ATOM 1011 CA GLN A 66 -6.013 -12.076 -2.614 1.00 51.53 C ATOM 1012 C GLN A 66 -7.142 -12.741 -3.441 1.00 33.32 C ATOM 1013 O GLN A 66 -7.629 -13.822 -3.089 1.00 51.25 O ATOM 1014 CB GLN A 66 -6.566 -10.831 -1.846 1.00 75.22 C ATOM 1015 CG GLN A 66 -5.602 -10.219 -0.790 1.00 3.02 C ATOM 1016 CD GLN A 66 -5.381 -11.080 0.470 1.00 43.21 C ATOM 1017 OE1 GLN A 66 -5.472 -12.304 0.447 1.00 22.42 O ATOM 1018 NE2 GLN A 66 -5.063 -10.444 1.582 1.00 42.32 N ATOM 0 H GLN A 66 -4.867 -10.731 -3.780 1.00 12.14 H new ATOM 0 HA GLN A 66 -5.664 -12.820 -1.898 1.00 51.53 H new ATOM 0 HB2 GLN A 66 -6.819 -10.059 -2.573 1.00 75.22 H new ATOM 0 HB3 GLN A 66 -7.492 -11.115 -1.347 1.00 75.22 H new ATOM 0 HG2 GLN A 66 -4.636 -10.040 -1.263 1.00 3.02 H new ATOM 0 HG3 GLN A 66 -5.992 -9.248 -0.484 1.00 3.02 H new ATOM 0 HE21 GLN A 66 -4.991 -9.427 1.585 1.00 42.32 H new ATOM 0 HE22 GLN A 66 -4.889 -10.970 2.438 1.00 42.32 H new ATOM 1027 N VAL A 67 -7.559 -12.082 -4.531 1.00 62.40 N ATOM 1028 CA VAL A 67 -8.656 -12.571 -5.397 1.00 22.13 C ATOM 1029 C VAL A 67 -8.139 -13.678 -6.359 1.00 71.10 C ATOM 1030 O VAL A 67 -7.145 -13.463 -7.066 1.00 53.25 O ATOM 1031 CB VAL A 67 -9.300 -11.391 -6.225 1.00 3.32 C ATOM 1032 CG1 VAL A 67 -10.549 -11.862 -7.011 1.00 22.32 C ATOM 1033 CG2 VAL A 67 -9.627 -10.174 -5.312 1.00 13.11 C ATOM 0 H VAL A 67 -7.152 -11.200 -4.841 1.00 62.40 H new ATOM 0 HA VAL A 67 -9.426 -12.994 -4.751 1.00 22.13 H new ATOM 0 HB VAL A 67 -8.562 -11.064 -6.957 1.00 3.32 H new ATOM 0 HG11 VAL A 67 -10.965 -11.023 -7.569 1.00 22.32 H new ATOM 0 HG12 VAL A 67 -10.265 -12.654 -7.704 1.00 22.32 H new ATOM 0 HG13 VAL A 67 -11.296 -12.241 -6.314 1.00 22.32 H new ATOM 0 HG21 VAL A 67 -10.069 -9.378 -5.911 1.00 13.11 H new ATOM 0 HG22 VAL A 67 -10.331 -10.479 -4.538 1.00 13.11 H new ATOM 0 HG23 VAL A 67 -8.710 -9.811 -4.847 1.00 13.11 H new ATOM 1043 N VAL A 68 -8.832 -14.846 -6.364 1.00 44.35 N ATOM 1044 CA VAL A 68 -8.496 -16.035 -7.203 1.00 12.54 C ATOM 1045 C VAL A 68 -7.094 -16.649 -6.828 1.00 44.23 C ATOM 1046 O VAL A 68 -7.054 -17.619 -6.036 1.00 37.74 O ATOM 1047 CB VAL A 68 -8.601 -15.730 -8.760 1.00 21.44 C ATOM 1048 CG1 VAL A 68 -8.284 -16.989 -9.612 1.00 4.41 C ATOM 1049 CG2 VAL A 68 -9.995 -15.144 -9.121 1.00 75.51 C ATOM 1050 OXT VAL A 68 -6.046 -16.164 -7.316 1.00 37.74 O ATOM 0 H VAL A 68 -9.653 -14.994 -5.778 1.00 44.35 H new ATOM 0 HA VAL A 68 -9.250 -16.789 -6.977 1.00 12.54 H new ATOM 0 HB VAL A 68 -7.848 -14.978 -8.998 1.00 21.44 H new ATOM 0 HG11 VAL A 68 -8.366 -16.742 -10.671 1.00 4.41 H new ATOM 0 HG12 VAL A 68 -7.271 -17.329 -9.396 1.00 4.41 H new ATOM 0 HG13 VAL A 68 -8.992 -17.781 -9.368 1.00 4.41 H new ATOM 0 HG21 VAL A 68 -10.040 -14.945 -10.192 1.00 75.51 H new ATOM 0 HG22 VAL A 68 -10.771 -15.860 -8.853 1.00 75.51 H new ATOM 0 HG23 VAL A 68 -10.153 -14.216 -8.572 1.00 75.51 H new TER 1060 VAL A 68 ATOM 1061 N MET B 1 -0.044 13.564 21.028 1.00 52.51 N ATOM 1062 CA MET B 1 -0.600 14.941 21.097 1.00 60.41 C ATOM 1063 C MET B 1 0.248 15.915 20.241 1.00 12.24 C ATOM 1064 O MET B 1 1.452 15.700 20.059 1.00 12.02 O ATOM 1065 CB MET B 1 -0.702 15.393 22.587 1.00 70.35 C ATOM 1066 CG MET B 1 0.632 15.470 23.352 1.00 5.12 C ATOM 1067 SD MET B 1 0.417 15.715 25.134 1.00 72.22 S ATOM 1068 CE MET B 1 -0.491 17.260 25.214 1.00 32.31 C ATOM 0 H1 MET B 1 -0.156 13.098 21.951 1.00 52.51 H new ATOM 0 H2 MET B 1 -0.552 13.021 20.301 1.00 52.51 H new ATOM 0 H3 MET B 1 0.966 13.609 20.784 1.00 52.51 H new ATOM 0 HA MET B 1 -1.606 14.950 20.678 1.00 60.41 H new ATOM 0 HB2 MET B 1 -1.175 16.374 22.619 1.00 70.35 H new ATOM 0 HB3 MET B 1 -1.362 14.703 23.113 1.00 70.35 H new ATOM 0 HG2 MET B 1 1.194 14.552 23.183 1.00 5.12 H new ATOM 0 HG3 MET B 1 1.229 16.288 22.948 1.00 5.12 H new ATOM 0 HE1 MET B 1 -0.559 17.589 26.251 1.00 32.31 H new ATOM 0 HE2 MET B 1 0.028 18.018 24.627 1.00 32.31 H new ATOM 0 HE3 MET B 1 -1.494 17.114 24.813 1.00 32.31 H new ATOM 1080 N GLY B 2 -0.397 16.971 19.710 1.00 32.33 N ATOM 1081 CA GLY B 2 0.277 17.960 18.848 1.00 24.32 C ATOM 1082 C GLY B 2 0.400 17.495 17.388 1.00 44.02 C ATOM 1083 O GLY B 2 1.476 17.071 16.948 1.00 21.24 O ATOM 0 H GLY B 2 -1.387 17.161 19.864 1.00 32.33 H new ATOM 0 HA2 GLY B 2 -0.276 18.899 18.880 1.00 24.32 H new ATOM 0 HA3 GLY B 2 1.272 18.162 19.245 1.00 24.32 H new ATOM 1087 N HIS B 3 -0.728 17.555 16.649 1.00 12.41 N ATOM 1088 CA HIS B 3 -0.803 17.146 15.220 1.00 4.14 C ATOM 1089 C HIS B 3 -0.435 18.329 14.279 1.00 41.20 C ATOM 1090 O HIS B 3 -0.448 19.496 14.692 1.00 11.04 O ATOM 1091 CB HIS B 3 -2.234 16.607 14.909 1.00 30.14 C ATOM 1092 CG HIS B 3 -2.428 16.077 13.504 1.00 4.34 C ATOM 1093 ND1 HIS B 3 -1.596 15.110 12.989 1.00 75.32 N ATOM 1094 CD2 HIS B 3 -3.327 16.432 12.544 1.00 13.43 C ATOM 1095 CE1 HIS B 3 -2.003 14.898 11.752 1.00 64.42 C ATOM 1096 NE2 HIS B 3 -3.045 15.675 11.437 1.00 25.14 N ATOM 0 H HIS B 3 -1.617 17.888 17.022 1.00 12.41 H new ATOM 0 HA HIS B 3 -0.078 16.352 15.040 1.00 4.14 H new ATOM 0 HB2 HIS B 3 -2.468 15.811 15.617 1.00 30.14 H new ATOM 0 HB3 HIS B 3 -2.953 17.408 15.081 1.00 30.14 H new ATOM 0 HD2 HIS B 3 -4.111 17.169 12.637 1.00 13.43 H new ATOM 0 HE1 HIS B 3 -1.551 14.186 11.078 1.00 64.42 H new ATOM 0 HE2 HIS B 3 -3.536 15.699 10.543 1.00 25.14 H new ATOM 1104 N HIS B 4 -0.097 18.004 13.013 1.00 54.42 N ATOM 1105 CA HIS B 4 0.254 18.997 11.968 1.00 75.13 C ATOM 1106 C HIS B 4 -0.948 19.239 11.016 1.00 43.22 C ATOM 1107 O HIS B 4 -1.596 18.282 10.585 1.00 14.12 O ATOM 1108 CB HIS B 4 1.477 18.490 11.156 1.00 73.02 C ATOM 1109 CG HIS B 4 2.657 18.100 12.012 1.00 4.34 C ATOM 1110 ND1 HIS B 4 3.478 19.045 12.573 1.00 3.13 N ATOM 1111 CD2 HIS B 4 3.090 16.864 12.386 1.00 0.30 C ATOM 1112 CE1 HIS B 4 4.378 18.379 13.266 1.00 64.54 C ATOM 1113 NE2 HIS B 4 4.186 17.056 13.183 1.00 32.34 N ATOM 0 H HIS B 4 -0.059 17.040 12.682 1.00 54.42 H new ATOM 0 HA HIS B 4 0.505 19.940 12.453 1.00 75.13 H new ATOM 0 HB2 HIS B 4 1.174 17.630 10.559 1.00 73.02 H new ATOM 0 HB3 HIS B 4 1.787 19.269 10.459 1.00 73.02 H new ATOM 0 HD2 HIS B 4 2.653 15.916 12.108 1.00 0.30 H new ATOM 0 HE1 HIS B 4 5.173 18.842 13.832 1.00 64.54 H new ATOM 0 HE2 HIS B 4 4.749 16.331 13.628 1.00 32.34 H new ATOM 1121 N HIS B 5 -1.242 20.515 10.698 1.00 13.13 N ATOM 1122 CA HIS B 5 -2.299 20.872 9.721 1.00 40.03 C ATOM 1123 C HIS B 5 -1.754 20.715 8.272 1.00 50.23 C ATOM 1124 O HIS B 5 -0.779 21.366 7.884 1.00 72.54 O ATOM 1125 CB HIS B 5 -2.854 22.305 9.995 1.00 54.00 C ATOM 1126 CG HIS B 5 -1.828 23.421 9.994 1.00 32.33 C ATOM 1127 ND1 HIS B 5 -1.470 24.064 8.831 1.00 24.14 N ATOM 1128 CD2 HIS B 5 -1.135 23.974 11.027 1.00 4.15 C ATOM 1129 CE1 HIS B 5 -0.586 24.974 9.175 1.00 13.44 C ATOM 1130 NE2 HIS B 5 -0.352 24.960 10.492 1.00 70.31 N ATOM 0 H HIS B 5 -0.763 21.320 11.102 1.00 13.13 H new ATOM 0 HA HIS B 5 -3.139 20.187 9.836 1.00 40.03 H new ATOM 0 HB2 HIS B 5 -3.610 22.531 9.243 1.00 54.00 H new ATOM 0 HB3 HIS B 5 -3.357 22.301 10.962 1.00 54.00 H new ATOM 0 HD2 HIS B 5 -1.192 23.689 12.067 1.00 4.15 H new ATOM 0 HE1 HIS B 5 -0.108 25.649 8.481 1.00 13.44 H new ATOM 0 HE2 HIS B 5 0.289 25.569 11.001 1.00 70.31 H new ATOM 1138 N HIS B 6 -2.364 19.797 7.497 1.00 41.24 N ATOM 1139 CA HIS B 6 -1.906 19.449 6.123 1.00 31.24 C ATOM 1140 C HIS B 6 -2.831 20.045 5.037 1.00 41.50 C ATOM 1141 O HIS B 6 -4.028 20.234 5.277 1.00 25.21 O ATOM 1142 CB HIS B 6 -1.853 17.908 5.957 1.00 21.25 C ATOM 1143 CG HIS B 6 -0.942 17.218 6.939 1.00 70.41 C ATOM 1144 ND1 HIS B 6 0.422 17.324 6.837 1.00 62.45 N ATOM 1145 CD2 HIS B 6 -1.243 16.447 8.014 1.00 41.12 C ATOM 1146 CE1 HIS B 6 0.917 16.626 7.839 1.00 24.54 C ATOM 1147 NE2 HIS B 6 -0.051 16.074 8.580 1.00 44.54 N ATOM 0 H HIS B 6 -3.186 19.273 7.798 1.00 41.24 H new ATOM 0 HA HIS B 6 -0.912 19.876 5.994 1.00 31.24 H new ATOM 0 HB2 HIS B 6 -2.860 17.506 6.067 1.00 21.25 H new ATOM 0 HB3 HIS B 6 -1.524 17.673 4.945 1.00 21.25 H new ATOM 0 HD2 HIS B 6 -2.231 16.179 8.358 1.00 41.12 H new ATOM 0 HE1 HIS B 6 1.973 16.513 8.038 1.00 24.54 H new ATOM 0 HE2 HIS B 6 0.074 15.489 9.406 1.00 44.54 H new ATOM 1155 N HIS B 7 -2.240 20.313 3.851 1.00 14.04 N ATOM 1156 CA HIS B 7 -2.950 20.758 2.617 1.00 34.41 C ATOM 1157 C HIS B 7 -3.526 22.202 2.720 1.00 14.32 C ATOM 1158 O HIS B 7 -4.276 22.532 3.643 1.00 13.34 O ATOM 1159 CB HIS B 7 -4.067 19.746 2.199 1.00 34.41 C ATOM 1160 CG HIS B 7 -4.810 20.114 0.930 1.00 73.15 C ATOM 1161 ND1 HIS B 7 -6.090 20.622 0.967 1.00 25.41 N ATOM 1162 CD2 HIS B 7 -4.415 20.017 -0.367 1.00 33.14 C ATOM 1163 CE1 HIS B 7 -6.439 20.821 -0.292 1.00 41.41 C ATOM 1164 NE2 HIS B 7 -5.460 20.470 -1.130 1.00 22.33 N ATOM 0 H HIS B 7 -1.233 20.226 3.716 1.00 14.04 H new ATOM 0 HA HIS B 7 -2.191 20.781 1.835 1.00 34.41 H new ATOM 0 HB2 HIS B 7 -3.617 18.762 2.068 1.00 34.41 H new ATOM 0 HB3 HIS B 7 -4.786 19.662 3.014 1.00 34.41 H new ATOM 0 HD2 HIS B 7 -3.463 19.654 -0.726 1.00 33.14 H new ATOM 0 HE1 HIS B 7 -7.394 21.217 -0.604 1.00 41.41 H new ATOM 0 HE2 HIS B 7 -5.485 20.528 -2.148 1.00 22.33 H new ATOM 1172 N HIS B 8 -3.153 23.056 1.749 1.00 34.15 N ATOM 1173 CA HIS B 8 -3.785 24.378 1.536 1.00 21.31 C ATOM 1174 C HIS B 8 -4.727 24.312 0.307 1.00 74.22 C ATOM 1175 O HIS B 8 -4.264 24.050 -0.813 1.00 71.30 O ATOM 1176 CB HIS B 8 -2.702 25.471 1.335 1.00 54.34 C ATOM 1177 CG HIS B 8 -1.805 25.686 2.533 1.00 34.34 C ATOM 1178 ND1 HIS B 8 -0.438 25.550 2.447 1.00 42.51 N ATOM 1179 CD2 HIS B 8 -2.127 26.039 3.805 1.00 34.14 C ATOM 1180 CE1 HIS B 8 0.032 25.817 3.649 1.00 34.20 C ATOM 1181 NE2 HIS B 8 -0.950 26.119 4.504 1.00 41.32 N ATOM 0 H HIS B 8 -2.404 22.852 1.087 1.00 34.15 H new ATOM 0 HA HIS B 8 -4.370 24.640 2.418 1.00 21.31 H new ATOM 0 HB2 HIS B 8 -2.085 25.201 0.478 1.00 54.34 H new ATOM 0 HB3 HIS B 8 -3.194 26.413 1.090 1.00 54.34 H new ATOM 0 HD2 HIS B 8 -3.119 26.221 4.191 1.00 34.14 H new ATOM 0 HE1 HIS B 8 1.080 25.795 3.910 1.00 34.20 H new ATOM 0 HE2 HIS B 8 -0.844 26.363 5.489 1.00 41.32 H new ATOM 1189 N SER B 9 -6.042 24.528 0.527 1.00 64.23 N ATOM 1190 CA SER B 9 -7.058 24.502 -0.554 1.00 52.14 C ATOM 1191 C SER B 9 -6.910 25.731 -1.482 1.00 24.32 C ATOM 1192 O SER B 9 -7.127 26.870 -1.060 1.00 61.03 O ATOM 1193 CB SER B 9 -8.486 24.446 0.043 1.00 50.24 C ATOM 1194 OG SER B 9 -8.687 23.269 0.811 1.00 1.04 O ATOM 0 H SER B 9 -6.429 24.724 1.450 1.00 64.23 H new ATOM 0 HA SER B 9 -6.894 23.604 -1.149 1.00 52.14 H new ATOM 0 HB2 SER B 9 -8.654 25.322 0.669 1.00 50.24 H new ATOM 0 HB3 SER B 9 -9.219 24.485 -0.763 1.00 50.24 H new ATOM 0 HG SER B 9 -9.597 23.267 1.174 1.00 1.04 H new ATOM 1200 N HIS B 10 -6.528 25.479 -2.745 1.00 73.25 N ATOM 1201 CA HIS B 10 -6.256 26.536 -3.754 1.00 15.45 C ATOM 1202 C HIS B 10 -6.957 26.207 -5.093 1.00 43.22 C ATOM 1203 O HIS B 10 -7.568 25.144 -5.231 1.00 12.12 O ATOM 1204 CB HIS B 10 -4.720 26.686 -3.962 1.00 14.12 C ATOM 1205 CG HIS B 10 -4.049 25.463 -4.544 1.00 1.04 C ATOM 1206 ND1 HIS B 10 -3.904 25.257 -5.901 1.00 72.40 N ATOM 1207 CD2 HIS B 10 -3.485 24.379 -3.949 1.00 72.12 C ATOM 1208 CE1 HIS B 10 -3.303 24.106 -6.112 1.00 71.21 C ATOM 1209 NE2 HIS B 10 -3.035 23.560 -4.950 1.00 4.20 N ATOM 0 H HIS B 10 -6.396 24.534 -3.104 1.00 73.25 H new ATOM 0 HA HIS B 10 -6.656 27.482 -3.388 1.00 15.45 H new ATOM 0 HB2 HIS B 10 -4.535 27.535 -4.620 1.00 14.12 H new ATOM 0 HB3 HIS B 10 -4.256 26.919 -3.003 1.00 14.12 H new ATOM 0 HD1 HIS B 10 -4.215 25.899 -6.629 1.00 72.40 H new ATOM 0 HD2 HIS B 10 -3.407 24.198 -2.887 1.00 72.12 H new ATOM 0 HE1 HIS B 10 -3.070 23.683 -7.078 1.00 71.21 H new ATOM 1218 N MET B 11 -6.845 27.116 -6.077 1.00 20.14 N ATOM 1219 CA MET B 11 -7.366 26.889 -7.444 1.00 30.24 C ATOM 1220 C MET B 11 -6.552 25.777 -8.163 1.00 32.32 C ATOM 1221 O MET B 11 -5.357 25.949 -8.426 1.00 23.22 O ATOM 1222 CB MET B 11 -7.325 28.222 -8.246 1.00 65.32 C ATOM 1223 CG MET B 11 -7.788 28.099 -9.705 1.00 10.40 C ATOM 1224 SD MET B 11 -9.458 27.419 -9.836 1.00 73.41 S ATOM 1225 CE MET B 11 -9.676 27.314 -11.614 1.00 32.31 C ATOM 0 H MET B 11 -6.395 28.023 -5.953 1.00 20.14 H new ATOM 0 HA MET B 11 -8.400 26.551 -7.381 1.00 30.24 H new ATOM 0 HB2 MET B 11 -7.952 28.956 -7.739 1.00 65.32 H new ATOM 0 HB3 MET B 11 -6.306 28.609 -8.232 1.00 65.32 H new ATOM 0 HG2 MET B 11 -7.759 29.081 -10.178 1.00 10.40 H new ATOM 0 HG3 MET B 11 -7.094 27.461 -10.252 1.00 10.40 H new ATOM 0 HE1 MET B 11 -10.664 26.910 -11.836 1.00 32.31 H new ATOM 0 HE2 MET B 11 -9.583 28.308 -12.051 1.00 32.31 H new ATOM 0 HE3 MET B 11 -8.913 26.660 -12.036 1.00 32.31 H new ATOM 1235 N GLY B 12 -7.199 24.624 -8.425 1.00 31.52 N ATOM 1236 CA GLY B 12 -6.575 23.506 -9.158 1.00 21.24 C ATOM 1237 C GLY B 12 -6.818 22.139 -8.509 1.00 1.55 C ATOM 1238 O GLY B 12 -7.215 22.056 -7.339 1.00 11.24 O ATOM 0 H GLY B 12 -8.161 24.443 -8.137 1.00 31.52 H new ATOM 0 HA2 GLY B 12 -6.961 23.489 -10.177 1.00 21.24 H new ATOM 0 HA3 GLY B 12 -5.501 23.681 -9.227 1.00 21.24 H new ATOM 1242 N GLY B 13 -6.556 21.064 -9.281 1.00 62.43 N ATOM 1243 CA GLY B 13 -6.782 19.682 -8.825 1.00 70.14 C ATOM 1244 C GLY B 13 -8.264 19.286 -8.836 1.00 30.34 C ATOM 1245 O GLY B 13 -8.792 18.788 -7.835 1.00 41.11 O ATOM 0 H GLY B 13 -6.185 21.131 -10.229 1.00 62.43 H new ATOM 0 HA2 GLY B 13 -6.223 18.998 -9.464 1.00 70.14 H new ATOM 0 HA3 GLY B 13 -6.388 19.569 -7.815 1.00 70.14 H new ATOM 1249 N GLY B 14 -8.930 19.506 -9.986 1.00 73.24 N ATOM 1250 CA GLY B 14 -10.365 19.230 -10.142 1.00 4.21 C ATOM 1251 C GLY B 14 -10.685 18.439 -11.415 1.00 3.24 C ATOM 1252 O GLY B 14 -10.803 19.022 -12.497 1.00 62.21 O ATOM 0 H GLY B 14 -8.488 19.878 -10.827 1.00 73.24 H new ATOM 0 HA2 GLY B 14 -10.719 18.672 -9.275 1.00 4.21 H new ATOM 0 HA3 GLY B 14 -10.911 20.173 -10.159 1.00 4.21 H new ATOM 1256 N LYS B 15 -10.814 17.102 -11.282 1.00 4.31 N ATOM 1257 CA LYS B 15 -11.197 16.200 -12.397 1.00 50.35 C ATOM 1258 C LYS B 15 -12.743 16.133 -12.562 1.00 72.12 C ATOM 1259 O LYS B 15 -13.483 16.807 -11.843 1.00 74.52 O ATOM 1260 CB LYS B 15 -10.582 14.784 -12.169 1.00 32.15 C ATOM 1261 CG LYS B 15 -10.946 14.106 -10.821 1.00 34.33 C ATOM 1262 CD LYS B 15 -10.304 12.707 -10.656 1.00 32.30 C ATOM 1263 CE LYS B 15 -10.675 12.029 -9.322 1.00 52.33 C ATOM 1264 NZ LYS B 15 -10.000 10.712 -9.154 1.00 43.42 N ATOM 0 H LYS B 15 -10.656 16.614 -10.400 1.00 4.31 H new ATOM 0 HA LYS B 15 -10.796 16.603 -13.327 1.00 50.35 H new ATOM 0 HB2 LYS B 15 -10.903 14.132 -12.982 1.00 32.15 H new ATOM 0 HB3 LYS B 15 -9.497 14.864 -12.234 1.00 32.15 H new ATOM 0 HG2 LYS B 15 -10.625 14.747 -10.000 1.00 34.33 H new ATOM 0 HG3 LYS B 15 -12.030 14.014 -10.748 1.00 34.33 H new ATOM 0 HD2 LYS B 15 -10.619 12.069 -11.482 1.00 32.30 H new ATOM 0 HD3 LYS B 15 -9.220 12.801 -10.721 1.00 32.30 H new ATOM 0 HE2 LYS B 15 -10.401 12.684 -8.495 1.00 52.33 H new ATOM 0 HE3 LYS B 15 -11.755 11.891 -9.275 1.00 52.33 H new ATOM 0 HZ1 LYS B 15 -10.380 10.232 -8.313 1.00 43.42 H new ATOM 0 HZ2 LYS B 15 -10.171 10.124 -9.995 1.00 43.42 H new ATOM 0 HZ3 LYS B 15 -8.977 10.859 -9.036 1.00 43.42 H new ATOM 1278 N GLY B 16 -13.231 15.329 -13.527 1.00 42.33 N ATOM 1279 CA GLY B 16 -14.684 15.171 -13.750 1.00 1.55 C ATOM 1280 C GLY B 16 -15.105 13.765 -14.220 1.00 21.04 C ATOM 1281 O GLY B 16 -15.603 13.624 -15.343 1.00 52.12 O ATOM 0 H GLY B 16 -12.647 14.783 -14.160 1.00 42.33 H new ATOM 0 HA2 GLY B 16 -15.209 15.404 -12.824 1.00 1.55 H new ATOM 0 HA3 GLY B 16 -15.007 15.901 -14.492 1.00 1.55 H new ATOM 1285 N PRO B 17 -14.932 12.686 -13.382 1.00 43.11 N ATOM 1286 CA PRO B 17 -15.465 11.329 -13.692 1.00 13.32 C ATOM 1287 C PRO B 17 -16.953 11.177 -13.268 1.00 33.01 C ATOM 1288 O PRO B 17 -17.526 12.087 -12.656 1.00 73.40 O ATOM 1289 CB PRO B 17 -14.548 10.424 -12.837 1.00 1.55 C ATOM 1290 CG PRO B 17 -14.278 11.236 -11.603 1.00 31.41 C ATOM 1291 CD PRO B 17 -14.217 12.687 -12.068 1.00 40.23 C ATOM 0 HA PRO B 17 -15.458 11.095 -14.757 1.00 13.32 H new ATOM 0 HB2 PRO B 17 -15.035 9.480 -12.594 1.00 1.55 H new ATOM 0 HB3 PRO B 17 -13.625 10.181 -13.364 1.00 1.55 H new ATOM 0 HG2 PRO B 17 -15.065 11.095 -10.862 1.00 31.41 H new ATOM 0 HG3 PRO B 17 -13.341 10.936 -11.134 1.00 31.41 H new ATOM 0 HD2 PRO B 17 -14.699 13.354 -11.353 1.00 40.23 H new ATOM 0 HD3 PRO B 17 -13.187 13.027 -12.176 1.00 40.23 H new ATOM 1299 N ALA B 18 -17.577 10.027 -13.590 1.00 2.32 N ATOM 1300 CA ALA B 18 -18.943 9.714 -13.104 1.00 13.14 C ATOM 1301 C ALA B 18 -18.905 9.341 -11.597 1.00 51.34 C ATOM 1302 O ALA B 18 -18.801 8.162 -11.225 1.00 33.41 O ATOM 1303 CB ALA B 18 -19.586 8.604 -13.956 1.00 73.33 C ATOM 0 H ALA B 18 -17.165 9.303 -14.179 1.00 2.32 H new ATOM 0 HA ALA B 18 -19.567 10.601 -13.210 1.00 13.14 H new ATOM 0 HB1 ALA B 18 -20.587 8.391 -13.581 1.00 73.33 H new ATOM 0 HB2 ALA B 18 -19.649 8.932 -14.993 1.00 73.33 H new ATOM 0 HB3 ALA B 18 -18.977 7.702 -13.897 1.00 73.33 H new ATOM 1309 N ALA B 19 -18.935 10.379 -10.740 1.00 62.50 N ATOM 1310 CA ALA B 19 -18.816 10.234 -9.271 1.00 11.41 C ATOM 1311 C ALA B 19 -19.949 10.992 -8.546 1.00 63.03 C ATOM 1312 O ALA B 19 -20.218 12.171 -8.836 1.00 53.42 O ATOM 1313 CB ALA B 19 -17.440 10.734 -8.794 1.00 35.52 C ATOM 0 H ALA B 19 -19.043 11.346 -11.045 1.00 62.50 H new ATOM 0 HA ALA B 19 -18.908 9.176 -9.025 1.00 11.41 H new ATOM 0 HB1 ALA B 19 -17.367 10.621 -7.712 1.00 35.52 H new ATOM 0 HB2 ALA B 19 -16.654 10.150 -9.274 1.00 35.52 H new ATOM 0 HB3 ALA B 19 -17.323 11.785 -9.058 1.00 35.52 H new ATOM 1319 N GLU B 20 -20.602 10.300 -7.592 1.00 52.22 N ATOM 1320 CA GLU B 20 -21.706 10.857 -6.771 1.00 23.24 C ATOM 1321 C GLU B 20 -21.257 11.010 -5.303 1.00 42.14 C ATOM 1322 O GLU B 20 -22.016 10.751 -4.357 1.00 32.42 O ATOM 1323 CB GLU B 20 -22.958 9.950 -6.907 1.00 34.14 C ATOM 1324 CG GLU B 20 -23.506 9.891 -8.345 1.00 73.41 C ATOM 1325 CD GLU B 20 -24.695 8.938 -8.518 1.00 61.20 C ATOM 1326 OE1 GLU B 20 -25.847 9.346 -8.261 1.00 4.02 O ATOM 1327 OE2 GLU B 20 -24.483 7.772 -8.904 1.00 25.32 O ATOM 0 H GLU B 20 -20.380 9.331 -7.364 1.00 52.22 H new ATOM 0 HA GLU B 20 -21.970 11.852 -7.130 1.00 23.24 H new ATOM 0 HB2 GLU B 20 -22.707 8.942 -6.578 1.00 34.14 H new ATOM 0 HB3 GLU B 20 -23.739 10.317 -6.241 1.00 34.14 H new ATOM 0 HG2 GLU B 20 -23.809 10.893 -8.649 1.00 73.41 H new ATOM 0 HG3 GLU B 20 -22.705 9.582 -9.016 1.00 73.41 H new ATOM 1334 N GLU B 21 -20.016 11.486 -5.140 1.00 33.54 N ATOM 1335 CA GLU B 21 -19.393 11.714 -3.818 1.00 52.10 C ATOM 1336 C GLU B 21 -19.848 13.088 -3.240 1.00 3.52 C ATOM 1337 O GLU B 21 -20.081 14.023 -4.020 1.00 74.14 O ATOM 1338 CB GLU B 21 -17.837 11.666 -3.950 1.00 13.31 C ATOM 1339 CG GLU B 21 -17.271 10.561 -4.886 1.00 4.11 C ATOM 1340 CD GLU B 21 -17.813 9.148 -4.596 1.00 23.14 C ATOM 1341 OE1 GLU B 21 -17.397 8.532 -3.593 1.00 53.35 O ATOM 1342 OE2 GLU B 21 -18.652 8.640 -5.383 1.00 42.34 O ATOM 0 H GLU B 21 -19.408 11.727 -5.922 1.00 33.54 H new ATOM 0 HA GLU B 21 -19.712 10.928 -3.133 1.00 52.10 H new ATOM 0 HB2 GLU B 21 -17.492 12.634 -4.312 1.00 13.31 H new ATOM 0 HB3 GLU B 21 -17.411 11.527 -2.956 1.00 13.31 H new ATOM 0 HG2 GLU B 21 -17.503 10.822 -5.919 1.00 4.11 H new ATOM 0 HG3 GLU B 21 -16.185 10.547 -4.797 1.00 4.11 H new ATOM 1349 N PRO B 22 -19.994 13.231 -1.876 1.00 24.32 N ATOM 1350 CA PRO B 22 -20.429 14.515 -1.238 1.00 13.22 C ATOM 1351 C PRO B 22 -19.441 15.686 -1.522 1.00 71.31 C ATOM 1352 O PRO B 22 -18.236 15.584 -1.236 1.00 42.32 O ATOM 1353 CB PRO B 22 -20.500 14.163 0.281 1.00 43.43 C ATOM 1354 CG PRO B 22 -19.622 12.954 0.437 1.00 33.21 C ATOM 1355 CD PRO B 22 -19.764 12.172 -0.853 1.00 23.13 C ATOM 0 HA PRO B 22 -21.380 14.873 -1.633 1.00 13.22 H new ATOM 0 HB2 PRO B 22 -20.146 14.991 0.896 1.00 43.43 H new ATOM 0 HB3 PRO B 22 -21.523 13.951 0.590 1.00 43.43 H new ATOM 0 HG2 PRO B 22 -18.585 13.243 0.607 1.00 33.21 H new ATOM 0 HG3 PRO B 22 -19.930 12.355 1.294 1.00 33.21 H new ATOM 0 HD2 PRO B 22 -18.868 11.591 -1.071 1.00 23.13 H new ATOM 0 HD3 PRO B 22 -20.596 11.470 -0.808 1.00 23.13 H new ATOM 1363 N LEU B 23 -19.972 16.785 -2.110 1.00 54.21 N ATOM 1364 CA LEU B 23 -19.176 17.977 -2.489 1.00 3.20 C ATOM 1365 C LEU B 23 -18.804 18.835 -1.253 1.00 71.14 C ATOM 1366 O LEU B 23 -19.476 19.816 -0.918 1.00 73.21 O ATOM 1367 CB LEU B 23 -19.928 18.817 -3.562 1.00 4.45 C ATOM 1368 CG LEU B 23 -20.172 18.113 -4.937 1.00 24.31 C ATOM 1369 CD1 LEU B 23 -20.961 19.032 -5.899 1.00 10.32 C ATOM 1370 CD2 LEU B 23 -18.838 17.646 -5.578 1.00 74.32 C ATOM 0 H LEU B 23 -20.963 16.870 -2.335 1.00 54.21 H new ATOM 0 HA LEU B 23 -18.240 17.630 -2.926 1.00 3.20 H new ATOM 0 HB2 LEU B 23 -20.893 19.113 -3.152 1.00 4.45 H new ATOM 0 HB3 LEU B 23 -19.363 19.732 -3.740 1.00 4.45 H new ATOM 0 HG LEU B 23 -20.776 17.225 -4.751 1.00 24.31 H new ATOM 0 HD11 LEU B 23 -21.117 18.518 -6.847 1.00 10.32 H new ATOM 0 HD12 LEU B 23 -21.926 19.278 -5.457 1.00 10.32 H new ATOM 0 HD13 LEU B 23 -20.397 19.948 -6.072 1.00 10.32 H new ATOM 0 HD21 LEU B 23 -19.043 17.161 -6.532 1.00 74.32 H new ATOM 0 HD22 LEU B 23 -18.191 18.508 -5.741 1.00 74.32 H new ATOM 0 HD23 LEU B 23 -18.341 16.941 -4.912 1.00 74.32 H new ATOM 1382 N SER B 24 -17.754 18.395 -0.556 1.00 64.35 N ATOM 1383 CA SER B 24 -17.145 19.111 0.582 1.00 71.32 C ATOM 1384 C SER B 24 -15.724 18.552 0.773 1.00 54.41 C ATOM 1385 O SER B 24 -14.726 19.253 0.564 1.00 1.44 O ATOM 1386 CB SER B 24 -17.996 18.962 1.877 1.00 11.13 C ATOM 1387 OG SER B 24 -18.205 17.595 2.217 1.00 0.23 O ATOM 0 H SER B 24 -17.289 17.512 -0.767 1.00 64.35 H new ATOM 0 HA SER B 24 -17.104 20.180 0.373 1.00 71.32 H new ATOM 0 HB2 SER B 24 -17.495 19.469 2.702 1.00 11.13 H new ATOM 0 HB3 SER B 24 -18.959 19.453 1.738 1.00 11.13 H new ATOM 0 HG SER B 24 -17.633 17.356 2.976 1.00 0.23 H new ATOM 1393 N LEU B 25 -15.651 17.263 1.157 1.00 50.14 N ATOM 1394 CA LEU B 25 -14.423 16.448 1.112 1.00 32.44 C ATOM 1395 C LEU B 25 -14.726 15.163 0.312 1.00 41.03 C ATOM 1396 O LEU B 25 -15.626 14.393 0.680 1.00 74.23 O ATOM 1397 CB LEU B 25 -13.899 16.075 2.531 1.00 22.13 C ATOM 1398 CG LEU B 25 -13.320 17.239 3.416 1.00 52.52 C ATOM 1399 CD1 LEU B 25 -14.430 18.079 4.096 1.00 14.11 C ATOM 1400 CD2 LEU B 25 -12.308 16.694 4.454 1.00 2.10 C ATOM 0 H LEU B 25 -16.458 16.751 1.513 1.00 50.14 H new ATOM 0 HA LEU B 25 -13.639 17.035 0.633 1.00 32.44 H new ATOM 0 HB2 LEU B 25 -14.717 15.608 3.080 1.00 22.13 H new ATOM 0 HB3 LEU B 25 -13.121 15.320 2.416 1.00 22.13 H new ATOM 0 HG LEU B 25 -12.790 17.915 2.745 1.00 52.52 H new ATOM 0 HD11 LEU B 25 -13.974 18.868 4.694 1.00 14.11 H new ATOM 0 HD12 LEU B 25 -15.068 18.525 3.333 1.00 14.11 H new ATOM 0 HD13 LEU B 25 -15.030 17.436 4.740 1.00 14.11 H new ATOM 0 HD21 LEU B 25 -11.922 17.518 5.053 1.00 2.10 H new ATOM 0 HD22 LEU B 25 -12.806 15.974 5.104 1.00 2.10 H new ATOM 0 HD23 LEU B 25 -11.483 16.205 3.936 1.00 2.10 H new ATOM 1412 N LEU B 26 -13.992 14.955 -0.793 1.00 64.32 N ATOM 1413 CA LEU B 26 -14.139 13.744 -1.634 1.00 21.44 C ATOM 1414 C LEU B 26 -13.296 12.606 -1.020 1.00 20.02 C ATOM 1415 O LEU B 26 -13.766 11.470 -0.919 1.00 71.45 O ATOM 1416 CB LEU B 26 -13.716 14.064 -3.108 1.00 75.32 C ATOM 1417 CG LEU B 26 -14.210 13.086 -4.247 1.00 14.21 C ATOM 1418 CD1 LEU B 26 -14.070 13.749 -5.637 1.00 70.02 C ATOM 1419 CD2 LEU B 26 -13.479 11.716 -4.235 1.00 54.23 C ATOM 0 H LEU B 26 -13.286 15.610 -1.130 1.00 64.32 H new ATOM 0 HA LEU B 26 -15.180 13.421 -1.662 1.00 21.44 H new ATOM 0 HB2 LEU B 26 -14.073 15.065 -3.349 1.00 75.32 H new ATOM 0 HB3 LEU B 26 -12.627 14.097 -3.144 1.00 75.32 H new ATOM 0 HG LEU B 26 -15.262 12.887 -4.042 1.00 14.21 H new ATOM 0 HD11 LEU B 26 -14.416 13.058 -6.406 1.00 70.02 H new ATOM 0 HD12 LEU B 26 -14.671 14.658 -5.669 1.00 70.02 H new ATOM 0 HD13 LEU B 26 -13.024 13.999 -5.817 1.00 70.02 H new ATOM 0 HD21 LEU B 26 -13.864 11.091 -5.041 1.00 54.23 H new ATOM 0 HD22 LEU B 26 -12.410 11.873 -4.377 1.00 54.23 H new ATOM 0 HD23 LEU B 26 -13.650 11.221 -3.279 1.00 54.23 H new ATOM 1431 N ASP B 27 -12.050 12.958 -0.610 1.00 13.24 N ATOM 1432 CA ASP B 27 -11.076 12.020 -0.006 1.00 10.42 C ATOM 1433 C ASP B 27 -10.691 10.860 -0.961 1.00 3.33 C ATOM 1434 O ASP B 27 -10.624 9.705 -0.545 1.00 64.23 O ATOM 1435 CB ASP B 27 -11.591 11.497 1.373 1.00 73.14 C ATOM 1436 CG ASP B 27 -11.338 12.486 2.522 1.00 4.22 C ATOM 1437 OD1 ASP B 27 -10.178 12.575 2.985 1.00 70.34 O ATOM 1438 OD2 ASP B 27 -12.284 13.161 2.971 1.00 24.23 O ATOM 0 H ASP B 27 -11.693 13.910 -0.691 1.00 13.24 H new ATOM 0 HA ASP B 27 -10.157 12.579 0.169 1.00 10.42 H new ATOM 0 HB2 ASP B 27 -12.660 11.296 1.303 1.00 73.14 H new ATOM 0 HB3 ASP B 27 -11.102 10.550 1.602 1.00 73.14 H new ATOM 1443 N ASP B 28 -10.381 11.212 -2.231 1.00 42.01 N ATOM 1444 CA ASP B 28 -10.000 10.242 -3.296 1.00 50.21 C ATOM 1445 C ASP B 28 -8.798 9.354 -2.858 1.00 25.14 C ATOM 1446 O ASP B 28 -8.781 8.133 -3.079 1.00 71.30 O ATOM 1447 CB ASP B 28 -9.677 11.018 -4.608 1.00 70.51 C ATOM 1448 CG ASP B 28 -9.648 10.116 -5.855 1.00 1.40 C ATOM 1449 OD1 ASP B 28 -10.735 9.804 -6.390 1.00 65.24 O ATOM 1450 OD2 ASP B 28 -8.552 9.716 -6.303 1.00 3.33 O ATOM 0 H ASP B 28 -10.387 12.180 -2.552 1.00 42.01 H new ATOM 0 HA ASP B 28 -10.840 9.570 -3.475 1.00 50.21 H new ATOM 0 HB2 ASP B 28 -10.421 11.801 -4.752 1.00 70.51 H new ATOM 0 HB3 ASP B 28 -8.711 11.512 -4.502 1.00 70.51 H new ATOM 1455 N MET B 29 -7.821 10.002 -2.205 1.00 62.15 N ATOM 1456 CA MET B 29 -6.647 9.352 -1.592 1.00 5.33 C ATOM 1457 C MET B 29 -7.038 8.436 -0.390 1.00 13.34 C ATOM 1458 O MET B 29 -6.498 7.329 -0.253 1.00 3.52 O ATOM 1459 CB MET B 29 -5.622 10.461 -1.171 1.00 63.13 C ATOM 1460 CG MET B 29 -4.595 10.043 -0.105 1.00 21.50 C ATOM 1461 SD MET B 29 -3.216 11.187 0.063 1.00 22.05 S ATOM 1462 CE MET B 29 -2.262 10.768 -1.395 1.00 43.33 C ATOM 0 H MET B 29 -7.823 11.015 -2.085 1.00 62.15 H new ATOM 0 HA MET B 29 -6.185 8.691 -2.326 1.00 5.33 H new ATOM 0 HB2 MET B 29 -5.084 10.790 -2.060 1.00 63.13 H new ATOM 0 HB3 MET B 29 -6.177 11.322 -0.798 1.00 63.13 H new ATOM 0 HG2 MET B 29 -5.100 9.953 0.857 1.00 21.50 H new ATOM 0 HG3 MET B 29 -4.207 9.055 -0.355 1.00 21.50 H new ATOM 0 HE1 MET B 29 -1.234 10.548 -1.106 1.00 43.33 H new ATOM 0 HE2 MET B 29 -2.699 9.893 -1.877 1.00 43.33 H new ATOM 0 HE3 MET B 29 -2.272 11.608 -2.090 1.00 43.33 H new ATOM 1472 N ASN B 30 -7.978 8.902 0.460 1.00 30.41 N ATOM 1473 CA ASN B 30 -8.422 8.160 1.674 1.00 1.25 C ATOM 1474 C ASN B 30 -9.260 6.904 1.293 1.00 4.33 C ATOM 1475 O ASN B 30 -9.264 5.921 2.030 1.00 20.33 O ATOM 1476 CB ASN B 30 -9.232 9.105 2.605 1.00 61.21 C ATOM 1477 CG ASN B 30 -9.397 8.626 4.053 1.00 11.45 C ATOM 1478 OD1 ASN B 30 -9.304 7.444 4.371 1.00 12.30 O ATOM 1479 ND2 ASN B 30 -9.698 9.545 4.941 1.00 10.22 N ATOM 0 H ASN B 30 -8.452 9.796 0.331 1.00 30.41 H new ATOM 0 HA ASN B 30 -7.538 7.812 2.208 1.00 1.25 H new ATOM 0 HB2 ASN B 30 -8.744 10.080 2.617 1.00 61.21 H new ATOM 0 HB3 ASN B 30 -10.223 9.249 2.174 1.00 61.21 H new ATOM 0 HD21 ASN B 30 -9.859 9.282 5.913 1.00 10.22 H new ATOM 0 HD22 ASN B 30 -9.771 10.522 4.659 1.00 10.22 H new ATOM 1486 N HIS B 31 -9.970 6.951 0.137 1.00 24.32 N ATOM 1487 CA HIS B 31 -10.681 5.772 -0.430 1.00 64.53 C ATOM 1488 C HIS B 31 -9.679 4.627 -0.733 1.00 33.22 C ATOM 1489 O HIS B 31 -9.958 3.442 -0.503 1.00 43.24 O ATOM 1490 CB HIS B 31 -11.458 6.140 -1.718 1.00 71.34 C ATOM 1491 CG HIS B 31 -12.632 7.062 -1.499 1.00 45.00 C ATOM 1492 ND1 HIS B 31 -13.666 6.728 -0.657 1.00 24.25 N ATOM 1493 CD2 HIS B 31 -12.901 8.259 -2.056 1.00 62.30 C ATOM 1494 CE1 HIS B 31 -14.530 7.726 -0.727 1.00 63.13 C ATOM 1495 NE2 HIS B 31 -14.106 8.676 -1.565 1.00 64.15 N ATOM 0 H HIS B 31 -10.067 7.797 -0.425 1.00 24.32 H new ATOM 0 HA HIS B 31 -11.400 5.435 0.317 1.00 64.53 H new ATOM 0 HB2 HIS B 31 -10.770 6.610 -2.421 1.00 71.34 H new ATOM 0 HB3 HIS B 31 -11.815 5.223 -2.186 1.00 71.34 H new ATOM 0 HD2 HIS B 31 -12.279 8.791 -2.761 1.00 62.30 H new ATOM 0 HE1 HIS B 31 -15.459 7.768 -0.178 1.00 63.13 H new ATOM 0 HE2 HIS B 31 -14.589 9.545 -1.794 1.00 64.15 H new ATOM 1503 N CYS B 32 -8.508 5.025 -1.255 1.00 23.42 N ATOM 1504 CA CYS B 32 -7.388 4.110 -1.536 1.00 20.03 C ATOM 1505 C CYS B 32 -6.746 3.569 -0.230 1.00 11.54 C ATOM 1506 O CYS B 32 -6.510 2.361 -0.095 1.00 43.21 O ATOM 1507 CB CYS B 32 -6.338 4.824 -2.412 1.00 64.02 C ATOM 1508 SG CYS B 32 -6.978 5.422 -4.001 1.00 33.12 S ATOM 0 H CYS B 32 -8.310 5.996 -1.496 1.00 23.42 H new ATOM 0 HA CYS B 32 -7.779 3.249 -2.079 1.00 20.03 H new ATOM 0 HB2 CYS B 32 -5.931 5.669 -1.856 1.00 64.02 H new ATOM 0 HB3 CYS B 32 -5.512 4.139 -2.601 1.00 64.02 H new ATOM 0 HG CYS B 32 -7.689 6.493 -3.807 1.00 33.12 H new ATOM 1514 N TYR B 33 -6.494 4.487 0.731 1.00 71.32 N ATOM 1515 CA TYR B 33 -5.971 4.148 2.083 1.00 71.20 C ATOM 1516 C TYR B 33 -6.922 3.214 2.864 1.00 22.53 C ATOM 1517 O TYR B 33 -6.471 2.425 3.698 1.00 3.31 O ATOM 1518 CB TYR B 33 -5.695 5.437 2.919 1.00 50.22 C ATOM 1519 CG TYR B 33 -4.300 6.037 2.702 1.00 71.35 C ATOM 1520 CD1 TYR B 33 -3.169 5.335 3.114 1.00 55.43 C ATOM 1521 CD2 TYR B 33 -4.102 7.290 2.127 1.00 43.44 C ATOM 1522 CE1 TYR B 33 -1.905 5.846 2.946 1.00 61.32 C ATOM 1523 CE2 TYR B 33 -2.834 7.805 1.956 1.00 22.13 C ATOM 1524 CZ TYR B 33 -1.741 7.084 2.372 1.00 45.42 C ATOM 1525 OH TYR B 33 -0.482 7.598 2.180 1.00 14.13 O ATOM 0 H TYR B 33 -6.646 5.486 0.595 1.00 71.32 H new ATOM 0 HA TYR B 33 -5.033 3.615 1.925 1.00 71.20 H new ATOM 0 HB2 TYR B 33 -6.445 6.187 2.668 1.00 50.22 H new ATOM 0 HB3 TYR B 33 -5.818 5.205 3.977 1.00 50.22 H new ATOM 0 HD1 TYR B 33 -3.289 4.366 3.576 1.00 55.43 H new ATOM 0 HD2 TYR B 33 -4.957 7.869 1.809 1.00 43.44 H new ATOM 0 HE1 TYR B 33 -1.044 5.277 3.264 1.00 61.32 H new ATOM 0 HE2 TYR B 33 -2.701 8.773 1.496 1.00 22.13 H new ATOM 0 HH TYR B 33 0.120 7.258 2.875 1.00 14.13 H new ATOM 1535 N SER B 34 -8.235 3.340 2.600 1.00 50.03 N ATOM 1536 CA SER B 34 -9.265 2.511 3.249 1.00 73.43 C ATOM 1537 C SER B 34 -9.068 1.029 2.894 1.00 74.05 C ATOM 1538 O SER B 34 -8.951 0.192 3.786 1.00 42.51 O ATOM 1539 CB SER B 34 -10.685 2.978 2.856 1.00 41.32 C ATOM 1540 OG SER B 34 -11.672 2.292 3.605 1.00 43.14 O ATOM 0 H SER B 34 -8.610 4.016 1.934 1.00 50.03 H new ATOM 0 HA SER B 34 -9.159 2.627 4.328 1.00 73.43 H new ATOM 0 HB2 SER B 34 -10.778 4.051 3.023 1.00 41.32 H new ATOM 0 HB3 SER B 34 -10.846 2.806 1.792 1.00 41.32 H new ATOM 0 HG SER B 34 -11.741 1.368 3.286 1.00 43.14 H new ATOM 1546 N ARG B 35 -8.982 0.738 1.578 1.00 42.00 N ATOM 1547 CA ARG B 35 -8.778 -0.637 1.067 1.00 42.32 C ATOM 1548 C ARG B 35 -7.434 -1.242 1.501 1.00 22.53 C ATOM 1549 O ARG B 35 -7.348 -2.450 1.683 1.00 32.12 O ATOM 1550 CB ARG B 35 -8.935 -0.697 -0.459 1.00 63.11 C ATOM 1551 CG ARG B 35 -10.383 -0.460 -0.916 1.00 35.33 C ATOM 1552 CD ARG B 35 -10.584 -0.793 -2.389 1.00 41.24 C ATOM 1553 NE ARG B 35 -11.952 -0.494 -2.843 1.00 62.21 N ATOM 1554 CZ ARG B 35 -12.460 -0.807 -4.017 1.00 2.12 C ATOM 1555 NH1 ARG B 35 -11.773 -1.457 -4.904 1.00 44.34 N ATOM 1556 NH2 ARG B 35 -13.673 -0.465 -4.289 1.00 12.24 N ATOM 0 H ARG B 35 -9.051 1.443 0.844 1.00 42.00 H new ATOM 0 HA ARG B 35 -9.560 -1.248 1.519 1.00 42.32 H new ATOM 0 HB2 ARG B 35 -8.287 0.051 -0.916 1.00 63.11 H new ATOM 0 HB3 ARG B 35 -8.600 -1.671 -0.817 1.00 63.11 H new ATOM 0 HG2 ARG B 35 -11.057 -1.068 -0.313 1.00 35.33 H new ATOM 0 HG3 ARG B 35 -10.651 0.582 -0.741 1.00 35.33 H new ATOM 0 HD2 ARG B 35 -9.872 -0.226 -2.989 1.00 41.24 H new ATOM 0 HD3 ARG B 35 -10.371 -1.849 -2.554 1.00 41.24 H new ATOM 0 HE ARG B 35 -12.561 -0.000 -2.190 1.00 62.21 H new ATOM 0 HH11 ARG B 35 -10.814 -1.739 -4.700 1.00 44.34 H new ATOM 0 HH12 ARG B 35 -12.191 -1.686 -5.805 1.00 44.34 H new ATOM 0 HH21 ARG B 35 -14.227 0.042 -3.599 1.00 12.24 H new ATOM 0 HH22 ARG B 35 -14.079 -0.701 -5.195 1.00 12.24 H new ATOM 1570 N LEU B 36 -6.394 -0.401 1.669 1.00 11.42 N ATOM 1571 CA LEU B 36 -5.103 -0.854 2.242 1.00 34.23 C ATOM 1572 C LEU B 36 -5.325 -1.447 3.658 1.00 41.43 C ATOM 1573 O LEU B 36 -4.973 -2.587 3.916 1.00 31.54 O ATOM 1574 CB LEU B 36 -4.073 0.309 2.299 1.00 4.33 C ATOM 1575 CG LEU B 36 -3.682 0.964 0.932 1.00 2.31 C ATOM 1576 CD1 LEU B 36 -2.589 2.043 1.122 1.00 4.10 C ATOM 1577 CD2 LEU B 36 -3.253 -0.099 -0.113 1.00 23.43 C ATOM 0 H LEU B 36 -6.418 0.588 1.420 1.00 11.42 H new ATOM 0 HA LEU B 36 -4.698 -1.629 1.592 1.00 34.23 H new ATOM 0 HB2 LEU B 36 -4.473 1.088 2.948 1.00 4.33 H new ATOM 0 HB3 LEU B 36 -3.164 -0.063 2.771 1.00 4.33 H new ATOM 0 HG LEU B 36 -4.572 1.457 0.541 1.00 2.31 H new ATOM 0 HD11 LEU B 36 -2.338 2.480 0.156 1.00 4.10 H new ATOM 0 HD12 LEU B 36 -2.959 2.822 1.788 1.00 4.10 H new ATOM 0 HD13 LEU B 36 -1.699 1.587 1.556 1.00 4.10 H new ATOM 0 HD21 LEU B 36 -2.989 0.396 -1.048 1.00 23.43 H new ATOM 0 HD22 LEU B 36 -2.390 -0.650 0.262 1.00 23.43 H new ATOM 0 HD23 LEU B 36 -4.077 -0.790 -0.288 1.00 23.43 H new ATOM 1589 N ARG B 37 -5.995 -0.666 4.524 1.00 4.00 N ATOM 1590 CA ARG B 37 -6.343 -1.075 5.915 1.00 21.40 C ATOM 1591 C ARG B 37 -7.226 -2.355 5.965 1.00 74.22 C ATOM 1592 O ARG B 37 -7.192 -3.100 6.947 1.00 65.05 O ATOM 1593 CB ARG B 37 -7.073 0.081 6.620 1.00 22.43 C ATOM 1594 CG ARG B 37 -6.215 1.349 6.764 1.00 42.14 C ATOM 1595 CD ARG B 37 -6.981 2.496 7.414 1.00 0.03 C ATOM 1596 NE ARG B 37 -8.200 2.846 6.660 1.00 63.14 N ATOM 1597 CZ ARG B 37 -9.254 3.461 7.155 1.00 25.31 C ATOM 1598 NH1 ARG B 37 -9.297 3.854 8.387 1.00 54.02 N ATOM 1599 NH2 ARG B 37 -10.275 3.680 6.407 1.00 60.33 N ATOM 0 H ARG B 37 -6.316 0.273 4.287 1.00 4.00 H new ATOM 0 HA ARG B 37 -5.409 -1.310 6.426 1.00 21.40 H new ATOM 0 HB2 ARG B 37 -7.977 0.324 6.061 1.00 22.43 H new ATOM 0 HB3 ARG B 37 -7.389 -0.249 7.610 1.00 22.43 H new ATOM 0 HG2 ARG B 37 -5.331 1.121 7.360 1.00 42.14 H new ATOM 0 HG3 ARG B 37 -5.864 1.661 5.780 1.00 42.14 H new ATOM 0 HD2 ARG B 37 -7.252 2.219 8.433 1.00 0.03 H new ATOM 0 HD3 ARG B 37 -6.334 3.371 7.483 1.00 0.03 H new ATOM 0 HE ARG B 37 -8.229 2.590 5.673 1.00 63.14 H new ATOM 0 HH11 ARG B 37 -8.501 3.690 9.003 1.00 54.02 H new ATOM 0 HH12 ARG B 37 -10.127 4.328 8.742 1.00 54.02 H new ATOM 0 HH21 ARG B 37 -10.268 3.378 5.433 1.00 60.33 H new ATOM 0 HH22 ARG B 37 -11.093 4.156 6.787 1.00 60.33 H new ATOM 1613 N GLU B 38 -8.004 -2.585 4.890 1.00 41.52 N ATOM 1614 CA GLU B 38 -8.970 -3.710 4.803 1.00 61.13 C ATOM 1615 C GLU B 38 -8.283 -5.000 4.291 1.00 55.12 C ATOM 1616 O GLU B 38 -8.652 -6.114 4.681 1.00 43.40 O ATOM 1617 CB GLU B 38 -10.154 -3.314 3.873 1.00 71.34 C ATOM 1618 CG GLU B 38 -11.015 -2.142 4.402 1.00 33.33 C ATOM 1619 CD GLU B 38 -12.125 -1.698 3.430 1.00 23.23 C ATOM 1620 OE1 GLU B 38 -13.188 -2.353 3.389 1.00 44.20 O ATOM 1621 OE2 GLU B 38 -11.942 -0.692 2.708 1.00 53.11 O ATOM 0 H GLU B 38 -7.985 -2.000 4.055 1.00 41.52 H new ATOM 0 HA GLU B 38 -9.353 -3.915 5.802 1.00 61.13 H new ATOM 0 HB2 GLU B 38 -9.757 -3.045 2.894 1.00 71.34 H new ATOM 0 HB3 GLU B 38 -10.795 -4.184 3.729 1.00 71.34 H new ATOM 0 HG2 GLU B 38 -11.470 -2.435 5.348 1.00 33.33 H new ATOM 0 HG3 GLU B 38 -10.366 -1.292 4.610 1.00 33.33 H new ATOM 1628 N LEU B 39 -7.277 -4.824 3.418 1.00 21.43 N ATOM 1629 CA LEU B 39 -6.519 -5.937 2.795 1.00 33.10 C ATOM 1630 C LEU B 39 -5.324 -6.392 3.665 1.00 31.40 C ATOM 1631 O LEU B 39 -4.787 -7.488 3.454 1.00 33.34 O ATOM 1632 CB LEU B 39 -6.044 -5.512 1.382 1.00 3.33 C ATOM 1633 CG LEU B 39 -7.176 -5.296 0.319 1.00 54.04 C ATOM 1634 CD1 LEU B 39 -6.624 -4.662 -0.983 1.00 34.53 C ATOM 1635 CD2 LEU B 39 -7.934 -6.619 0.031 1.00 41.20 C ATOM 0 H LEU B 39 -6.960 -3.902 3.119 1.00 21.43 H new ATOM 0 HA LEU B 39 -7.187 -6.795 2.712 1.00 33.10 H new ATOM 0 HB2 LEU B 39 -5.476 -4.586 1.473 1.00 3.33 H new ATOM 0 HB3 LEU B 39 -5.358 -6.271 1.006 1.00 3.33 H new ATOM 0 HG LEU B 39 -7.892 -4.590 0.741 1.00 54.04 H new ATOM 0 HD11 LEU B 39 -7.438 -4.528 -1.696 1.00 34.53 H new ATOM 0 HD12 LEU B 39 -6.177 -3.694 -0.755 1.00 34.53 H new ATOM 0 HD13 LEU B 39 -5.868 -5.318 -1.415 1.00 34.53 H new ATOM 0 HD21 LEU B 39 -8.713 -6.438 -0.710 1.00 41.20 H new ATOM 0 HD22 LEU B 39 -7.235 -7.363 -0.352 1.00 41.20 H new ATOM 0 HD23 LEU B 39 -8.387 -6.987 0.952 1.00 41.20 H new ATOM 1647 N VAL B 40 -4.903 -5.541 4.622 1.00 3.03 N ATOM 1648 CA VAL B 40 -3.845 -5.880 5.604 1.00 34.01 C ATOM 1649 C VAL B 40 -4.477 -6.448 6.908 1.00 42.12 C ATOM 1650 O VAL B 40 -5.071 -5.691 7.686 1.00 73.40 O ATOM 1651 CB VAL B 40 -2.936 -4.635 5.953 1.00 71.15 C ATOM 1652 CG1 VAL B 40 -1.806 -5.016 6.947 1.00 2.34 C ATOM 1653 CG2 VAL B 40 -2.360 -3.994 4.666 1.00 40.22 C ATOM 0 H VAL B 40 -5.283 -4.602 4.739 1.00 3.03 H new ATOM 0 HA VAL B 40 -3.212 -6.638 5.143 1.00 34.01 H new ATOM 0 HB VAL B 40 -3.564 -3.893 6.446 1.00 71.15 H new ATOM 0 HG11 VAL B 40 -1.201 -4.136 7.165 1.00 2.34 H new ATOM 0 HG12 VAL B 40 -2.246 -5.392 7.871 1.00 2.34 H new ATOM 0 HG13 VAL B 40 -1.177 -5.788 6.504 1.00 2.34 H new ATOM 0 HG21 VAL B 40 -1.738 -3.139 4.932 1.00 40.22 H new ATOM 0 HG22 VAL B 40 -1.758 -4.729 4.132 1.00 40.22 H new ATOM 0 HG23 VAL B 40 -3.178 -3.662 4.027 1.00 40.22 H new ATOM 1663 N PRO B 41 -4.373 -7.796 7.171 1.00 75.31 N ATOM 1664 CA PRO B 41 -4.904 -8.419 8.415 1.00 33.42 C ATOM 1665 C PRO B 41 -3.986 -8.196 9.652 1.00 24.41 C ATOM 1666 O PRO B 41 -4.391 -8.475 10.787 1.00 43.51 O ATOM 1667 CB PRO B 41 -5.009 -9.938 8.043 1.00 64.41 C ATOM 1668 CG PRO B 41 -4.637 -10.028 6.580 1.00 0.42 C ATOM 1669 CD PRO B 41 -3.766 -8.830 6.303 1.00 21.33 C ATOM 0 HA PRO B 41 -5.855 -7.978 8.715 1.00 33.42 H new ATOM 0 HB2 PRO B 41 -4.336 -10.538 8.656 1.00 64.41 H new ATOM 0 HB3 PRO B 41 -6.018 -10.314 8.214 1.00 64.41 H new ATOM 0 HG2 PRO B 41 -4.105 -10.955 6.368 1.00 0.42 H new ATOM 0 HG3 PRO B 41 -5.526 -10.019 5.949 1.00 0.42 H new ATOM 0 HD2 PRO B 41 -2.723 -9.016 6.560 1.00 21.33 H new ATOM 0 HD3 PRO B 41 -3.789 -8.544 5.251 1.00 21.33 H new ATOM 1677 N GLY B 42 -2.758 -7.681 9.416 1.00 71.40 N ATOM 1678 CA GLY B 42 -1.760 -7.463 10.483 1.00 51.30 C ATOM 1679 C GLY B 42 -1.931 -6.157 11.281 1.00 32.31 C ATOM 1680 O GLY B 42 -0.954 -5.643 11.846 1.00 43.12 O ATOM 0 H GLY B 42 -2.435 -7.407 8.488 1.00 71.40 H new ATOM 0 HA2 GLY B 42 -1.803 -8.303 11.177 1.00 51.30 H new ATOM 0 HA3 GLY B 42 -0.766 -7.470 10.036 1.00 51.30 H new ATOM 1684 N VAL B 43 -3.168 -5.622 11.333 1.00 55.10 N ATOM 1685 CA VAL B 43 -3.513 -4.448 12.169 1.00 64.02 C ATOM 1686 C VAL B 43 -3.929 -4.913 13.600 1.00 22.11 C ATOM 1687 O VAL B 43 -4.877 -5.699 13.732 1.00 15.12 O ATOM 1688 CB VAL B 43 -4.678 -3.602 11.520 1.00 72.04 C ATOM 1689 CG1 VAL B 43 -4.992 -2.332 12.357 1.00 13.14 C ATOM 1690 CG2 VAL B 43 -4.352 -3.240 10.046 1.00 30.34 C ATOM 0 H VAL B 43 -3.956 -5.989 10.799 1.00 55.10 H new ATOM 0 HA VAL B 43 -2.630 -3.813 12.236 1.00 64.02 H new ATOM 0 HB VAL B 43 -5.575 -4.222 11.520 1.00 72.04 H new ATOM 0 HG11 VAL B 43 -5.798 -1.773 11.882 1.00 13.14 H new ATOM 0 HG12 VAL B 43 -5.296 -2.625 13.362 1.00 13.14 H new ATOM 0 HG13 VAL B 43 -4.102 -1.706 12.416 1.00 13.14 H new ATOM 0 HG21 VAL B 43 -5.171 -2.658 9.625 1.00 30.34 H new ATOM 0 HG22 VAL B 43 -3.434 -2.654 10.010 1.00 30.34 H new ATOM 0 HG23 VAL B 43 -4.221 -4.154 9.467 1.00 30.34 H new ATOM 1700 N PRO B 44 -3.216 -4.464 14.694 1.00 50.55 N ATOM 1701 CA PRO B 44 -3.563 -4.846 16.100 1.00 72.10 C ATOM 1702 C PRO B 44 -4.934 -4.279 16.590 1.00 32.33 C ATOM 1703 O PRO B 44 -5.586 -3.494 15.888 1.00 32.31 O ATOM 1704 CB PRO B 44 -2.369 -4.295 16.940 1.00 24.45 C ATOM 1705 CG PRO B 44 -1.289 -4.000 15.936 1.00 30.42 C ATOM 1706 CD PRO B 44 -2.009 -3.600 14.666 1.00 35.53 C ATOM 0 HA PRO B 44 -3.696 -5.924 16.196 1.00 72.10 H new ATOM 0 HB2 PRO B 44 -2.654 -3.397 17.489 1.00 24.45 H new ATOM 0 HB3 PRO B 44 -2.034 -5.026 17.676 1.00 24.45 H new ATOM 0 HG2 PRO B 44 -0.638 -3.199 16.286 1.00 30.42 H new ATOM 0 HG3 PRO B 44 -0.659 -4.874 15.770 1.00 30.42 H new ATOM 0 HD2 PRO B 44 -2.268 -2.541 14.663 1.00 35.53 H new ATOM 0 HD3 PRO B 44 -1.400 -3.782 13.780 1.00 35.53 H new ATOM 1714 N ARG B 45 -5.348 -4.675 17.810 1.00 44.43 N ATOM 1715 CA ARG B 45 -6.716 -4.406 18.335 1.00 72.42 C ATOM 1716 C ARG B 45 -6.791 -3.036 19.061 1.00 55.13 C ATOM 1717 O ARG B 45 -6.288 -2.895 20.179 1.00 51.34 O ATOM 1718 CB ARG B 45 -7.146 -5.567 19.286 1.00 74.32 C ATOM 1719 CG ARG B 45 -6.920 -6.981 18.700 1.00 0.53 C ATOM 1720 CD ARG B 45 -7.681 -7.223 17.377 1.00 13.13 C ATOM 1721 NE ARG B 45 -7.229 -8.456 16.705 1.00 34.15 N ATOM 1722 CZ ARG B 45 -7.630 -8.864 15.517 1.00 4.14 C ATOM 1723 NH1 ARG B 45 -8.527 -8.210 14.842 1.00 35.54 N ATOM 1724 NH2 ARG B 45 -7.134 -9.945 15.013 1.00 23.33 N ATOM 0 H ARG B 45 -4.753 -5.188 18.461 1.00 44.43 H new ATOM 0 HA ARG B 45 -7.407 -4.358 17.493 1.00 72.42 H new ATOM 0 HB2 ARG B 45 -6.592 -5.480 20.221 1.00 74.32 H new ATOM 0 HB3 ARG B 45 -8.202 -5.451 19.529 1.00 74.32 H new ATOM 0 HG2 ARG B 45 -5.854 -7.130 18.530 1.00 0.53 H new ATOM 0 HG3 ARG B 45 -7.233 -7.725 19.433 1.00 0.53 H new ATOM 0 HD2 ARG B 45 -8.750 -7.290 17.579 1.00 13.13 H new ATOM 0 HD3 ARG B 45 -7.535 -6.372 16.712 1.00 13.13 H new ATOM 0 HE ARG B 45 -6.553 -9.039 17.198 1.00 34.15 H new ATOM 0 HH11 ARG B 45 -8.938 -7.360 15.229 1.00 35.54 H new ATOM 0 HH12 ARG B 45 -8.821 -8.546 13.925 1.00 35.54 H new ATOM 0 HH21 ARG B 45 -6.437 -10.477 15.534 1.00 23.33 H new ATOM 0 HH22 ARG B 45 -7.440 -10.266 14.094 1.00 23.33 H new ATOM 1738 N GLY B 46 -7.426 -2.038 18.404 1.00 35.14 N ATOM 1739 CA GLY B 46 -7.542 -0.668 18.947 1.00 64.45 C ATOM 1740 C GLY B 46 -6.284 0.179 18.697 1.00 14.54 C ATOM 1741 O GLY B 46 -5.759 0.823 19.616 1.00 70.40 O ATOM 0 H GLY B 46 -7.867 -2.159 17.492 1.00 35.14 H new ATOM 0 HA2 GLY B 46 -8.403 -0.175 18.495 1.00 64.45 H new ATOM 0 HA3 GLY B 46 -7.732 -0.722 20.019 1.00 64.45 H new ATOM 1745 N THR B 47 -5.802 0.172 17.441 1.00 24.14 N ATOM 1746 CA THR B 47 -4.551 0.864 17.041 1.00 2.33 C ATOM 1747 C THR B 47 -4.838 2.164 16.254 1.00 34.23 C ATOM 1748 O THR B 47 -5.682 2.179 15.353 1.00 32.33 O ATOM 1749 CB THR B 47 -3.663 -0.087 16.172 1.00 62.03 C ATOM 1750 OG1 THR B 47 -3.451 -1.316 16.874 1.00 73.44 O ATOM 1751 CG2 THR B 47 -2.294 0.523 15.828 1.00 41.35 C ATOM 0 H THR B 47 -6.264 -0.312 16.671 1.00 24.14 H new ATOM 0 HA THR B 47 -4.021 1.132 17.955 1.00 2.33 H new ATOM 0 HB THR B 47 -4.198 -0.253 15.237 1.00 62.03 H new ATOM 0 HG1 THR B 47 -2.633 -1.250 17.410 1.00 73.44 H new ATOM 0 HG21 THR B 47 -1.723 -0.182 15.224 1.00 41.35 H new ATOM 0 HG22 THR B 47 -2.438 1.447 15.268 1.00 41.35 H new ATOM 0 HG23 THR B 47 -1.750 0.737 16.748 1.00 41.35 H new ATOM 1759 N GLN B 48 -4.117 3.248 16.601 1.00 55.35 N ATOM 1760 CA GLN B 48 -4.215 4.555 15.913 1.00 24.24 C ATOM 1761 C GLN B 48 -3.012 4.757 14.951 1.00 40.04 C ATOM 1762 O GLN B 48 -1.953 5.237 15.361 1.00 50.44 O ATOM 1763 CB GLN B 48 -4.268 5.705 16.962 1.00 64.33 C ATOM 1764 CG GLN B 48 -5.424 5.603 17.975 1.00 25.43 C ATOM 1765 CD GLN B 48 -5.417 6.742 19.005 1.00 24.43 C ATOM 1766 OE1 GLN B 48 -6.027 7.786 18.801 1.00 64.02 O ATOM 1767 NE2 GLN B 48 -4.720 6.552 20.108 1.00 41.10 N ATOM 0 H GLN B 48 -3.447 3.244 17.370 1.00 55.35 H new ATOM 0 HA GLN B 48 -5.131 4.572 15.323 1.00 24.24 H new ATOM 0 HB2 GLN B 48 -3.325 5.723 17.509 1.00 64.33 H new ATOM 0 HB3 GLN B 48 -4.349 6.655 16.435 1.00 64.33 H new ATOM 0 HG2 GLN B 48 -6.373 5.611 17.438 1.00 25.43 H new ATOM 0 HG3 GLN B 48 -5.361 4.648 18.496 1.00 25.43 H new ATOM 0 HE21 GLN B 48 -4.222 5.673 20.252 1.00 41.10 H new ATOM 0 HE22 GLN B 48 -4.679 7.284 20.818 1.00 41.10 H new ATOM 1776 N LEU B 49 -3.177 4.356 13.674 1.00 21.20 N ATOM 1777 CA LEU B 49 -2.123 4.509 12.635 1.00 35.54 C ATOM 1778 C LEU B 49 -2.372 5.767 11.765 1.00 60.33 C ATOM 1779 O LEU B 49 -3.432 5.904 11.140 1.00 20.13 O ATOM 1780 CB LEU B 49 -2.050 3.241 11.737 1.00 22.22 C ATOM 1781 CG LEU B 49 -1.606 1.921 12.450 1.00 31.24 C ATOM 1782 CD1 LEU B 49 -1.660 0.712 11.486 1.00 65.44 C ATOM 1783 CD2 LEU B 49 -0.199 2.067 13.091 1.00 33.42 C ATOM 0 H LEU B 49 -4.033 3.921 13.330 1.00 21.20 H new ATOM 0 HA LEU B 49 -1.168 4.632 13.146 1.00 35.54 H new ATOM 0 HB2 LEU B 49 -3.032 3.078 11.292 1.00 22.22 H new ATOM 0 HB3 LEU B 49 -1.358 3.439 10.918 1.00 22.22 H new ATOM 0 HG LEU B 49 -2.316 1.732 13.255 1.00 31.24 H new ATOM 0 HD11 LEU B 49 -1.345 -0.188 12.014 1.00 65.44 H new ATOM 0 HD12 LEU B 49 -2.679 0.582 11.122 1.00 65.44 H new ATOM 0 HD13 LEU B 49 -0.993 0.890 10.642 1.00 65.44 H new ATOM 0 HD21 LEU B 49 0.078 1.132 13.578 1.00 33.42 H new ATOM 0 HD22 LEU B 49 0.531 2.303 12.317 1.00 33.42 H new ATOM 0 HD23 LEU B 49 -0.217 2.869 13.829 1.00 33.42 H new ATOM 1795 N SER B 50 -1.382 6.674 11.735 1.00 21.12 N ATOM 1796 CA SER B 50 -1.409 7.886 10.873 1.00 64.03 C ATOM 1797 C SER B 50 -1.169 7.521 9.384 1.00 41.43 C ATOM 1798 O SER B 50 -0.836 6.376 9.076 1.00 64.33 O ATOM 1799 CB SER B 50 -0.344 8.904 11.355 1.00 32.22 C ATOM 1800 OG SER B 50 -0.379 10.109 10.596 1.00 43.35 O ATOM 0 H SER B 50 -0.538 6.596 12.303 1.00 21.12 H new ATOM 0 HA SER B 50 -2.398 8.338 10.952 1.00 64.03 H new ATOM 0 HB2 SER B 50 -0.511 9.133 12.408 1.00 32.22 H new ATOM 0 HB3 SER B 50 0.647 8.456 11.279 1.00 32.22 H new ATOM 0 HG SER B 50 0.305 10.726 10.930 1.00 43.35 H new ATOM 1806 N GLN B 51 -1.319 8.519 8.484 1.00 32.44 N ATOM 1807 CA GLN B 51 -1.165 8.364 7.005 1.00 21.05 C ATOM 1808 C GLN B 51 0.119 7.580 6.608 1.00 22.14 C ATOM 1809 O GLN B 51 0.080 6.662 5.782 1.00 63.04 O ATOM 1810 CB GLN B 51 -1.117 9.764 6.342 1.00 42.11 C ATOM 1811 CG GLN B 51 -2.370 10.638 6.544 1.00 51.45 C ATOM 1812 CD GLN B 51 -2.205 12.059 5.976 1.00 61.11 C ATOM 1813 OE1 GLN B 51 -1.114 12.618 5.967 1.00 75.05 O ATOM 1814 NE2 GLN B 51 -3.278 12.653 5.505 1.00 60.20 N ATOM 0 H GLN B 51 -1.554 9.472 8.761 1.00 32.44 H new ATOM 0 HA GLN B 51 -2.024 7.790 6.656 1.00 21.05 H new ATOM 0 HB2 GLN B 51 -0.253 10.302 6.733 1.00 42.11 H new ATOM 0 HB3 GLN B 51 -0.955 9.634 5.272 1.00 42.11 H new ATOM 0 HG2 GLN B 51 -3.223 10.157 6.066 1.00 51.45 H new ATOM 0 HG3 GLN B 51 -2.595 10.701 7.609 1.00 51.45 H new ATOM 0 HE21 GLN B 51 -4.177 12.171 5.522 1.00 60.20 H new ATOM 0 HE22 GLN B 51 -3.212 13.596 5.123 1.00 60.20 H new ATOM 1823 N VAL B 52 1.243 7.962 7.239 1.00 2.45 N ATOM 1824 CA VAL B 52 2.571 7.370 6.960 1.00 44.50 C ATOM 1825 C VAL B 52 2.648 5.925 7.515 1.00 1.10 C ATOM 1826 O VAL B 52 3.180 5.026 6.867 1.00 43.41 O ATOM 1827 CB VAL B 52 3.738 8.233 7.592 1.00 63.13 C ATOM 1828 CG1 VAL B 52 5.101 7.869 6.959 1.00 54.40 C ATOM 1829 CG2 VAL B 52 3.454 9.752 7.483 1.00 20.33 C ATOM 0 H VAL B 52 1.261 8.688 7.956 1.00 2.45 H new ATOM 0 HA VAL B 52 2.697 7.356 5.877 1.00 44.50 H new ATOM 0 HB VAL B 52 3.785 7.991 8.654 1.00 63.13 H new ATOM 0 HG11 VAL B 52 5.886 8.476 7.411 1.00 54.40 H new ATOM 0 HG12 VAL B 52 5.313 6.814 7.133 1.00 54.40 H new ATOM 0 HG13 VAL B 52 5.067 8.060 5.886 1.00 54.40 H new ATOM 0 HG21 VAL B 52 4.278 10.309 7.928 1.00 20.33 H new ATOM 0 HG22 VAL B 52 3.354 10.029 6.434 1.00 20.33 H new ATOM 0 HG23 VAL B 52 2.530 9.988 8.011 1.00 20.33 H new ATOM 1839 N GLU B 53 2.087 5.740 8.722 1.00 43.14 N ATOM 1840 CA GLU B 53 2.076 4.440 9.434 1.00 24.21 C ATOM 1841 C GLU B 53 1.205 3.379 8.721 1.00 50.42 C ATOM 1842 O GLU B 53 1.433 2.179 8.892 1.00 33.03 O ATOM 1843 CB GLU B 53 1.595 4.632 10.893 1.00 52.23 C ATOM 1844 CG GLU B 53 2.456 5.600 11.733 1.00 32.43 C ATOM 1845 CD GLU B 53 2.026 5.645 13.207 1.00 70.21 C ATOM 1846 OE1 GLU B 53 1.114 6.428 13.551 1.00 0.02 O ATOM 1847 OE2 GLU B 53 2.579 4.876 14.023 1.00 54.34 O ATOM 0 H GLU B 53 1.625 6.489 9.238 1.00 43.14 H new ATOM 0 HA GLU B 53 3.100 4.067 9.433 1.00 24.21 H new ATOM 0 HB2 GLU B 53 0.569 5.000 10.878 1.00 52.23 H new ATOM 0 HB3 GLU B 53 1.578 3.660 11.387 1.00 52.23 H new ATOM 0 HG2 GLU B 53 3.501 5.297 11.672 1.00 32.43 H new ATOM 0 HG3 GLU B 53 2.390 6.602 11.308 1.00 32.43 H new ATOM 1854 N ILE B 54 0.188 3.829 7.957 1.00 32.13 N ATOM 1855 CA ILE B 54 -0.621 2.939 7.093 1.00 5.33 C ATOM 1856 C ILE B 54 0.248 2.383 5.937 1.00 23.43 C ATOM 1857 O ILE B 54 0.208 1.187 5.650 1.00 21.23 O ATOM 1858 CB ILE B 54 -1.886 3.680 6.510 1.00 14.40 C ATOM 1859 CG1 ILE B 54 -2.811 4.198 7.664 1.00 35.01 C ATOM 1860 CG2 ILE B 54 -2.681 2.768 5.531 1.00 63.35 C ATOM 1861 CD1 ILE B 54 -3.981 5.057 7.202 1.00 71.14 C ATOM 0 H ILE B 54 -0.095 4.808 7.920 1.00 32.13 H new ATOM 0 HA ILE B 54 -0.975 2.113 7.710 1.00 5.33 H new ATOM 0 HB ILE B 54 -1.531 4.541 5.944 1.00 14.40 H new ATOM 0 HG12 ILE B 54 -3.201 3.340 8.212 1.00 35.01 H new ATOM 0 HG13 ILE B 54 -2.207 4.776 8.364 1.00 35.01 H new ATOM 0 HG21 ILE B 54 -3.545 3.311 5.149 1.00 63.35 H new ATOM 0 HG22 ILE B 54 -2.038 2.479 4.700 1.00 63.35 H new ATOM 0 HG23 ILE B 54 -3.017 1.875 6.058 1.00 63.35 H new ATOM 0 HD11 ILE B 54 -4.566 5.370 8.067 1.00 71.14 H new ATOM 0 HD12 ILE B 54 -3.603 5.937 6.681 1.00 71.14 H new ATOM 0 HD13 ILE B 54 -4.612 4.479 6.527 1.00 71.14 H new ATOM 1873 N LEU B 55 1.045 3.270 5.299 1.00 74.42 N ATOM 1874 CA LEU B 55 2.020 2.878 4.248 1.00 54.23 C ATOM 1875 C LEU B 55 3.015 1.819 4.781 1.00 65.53 C ATOM 1876 O LEU B 55 3.233 0.793 4.142 1.00 32.14 O ATOM 1877 CB LEU B 55 2.800 4.123 3.748 1.00 52.42 C ATOM 1878 CG LEU B 55 1.961 5.252 3.076 1.00 11.41 C ATOM 1879 CD1 LEU B 55 2.832 6.492 2.757 1.00 50.24 C ATOM 1880 CD2 LEU B 55 1.246 4.726 1.809 1.00 75.02 C ATOM 0 H LEU B 55 1.033 4.271 5.494 1.00 74.42 H new ATOM 0 HA LEU B 55 1.463 2.443 3.418 1.00 54.23 H new ATOM 0 HB2 LEU B 55 3.333 4.554 4.596 1.00 52.42 H new ATOM 0 HB3 LEU B 55 3.553 3.789 3.035 1.00 52.42 H new ATOM 0 HG LEU B 55 1.197 5.567 3.787 1.00 11.41 H new ATOM 0 HD11 LEU B 55 2.215 7.259 2.289 1.00 50.24 H new ATOM 0 HD12 LEU B 55 3.260 6.883 3.680 1.00 50.24 H new ATOM 0 HD13 LEU B 55 3.635 6.207 2.077 1.00 50.24 H new ATOM 0 HD21 LEU B 55 0.667 5.531 1.357 1.00 75.02 H new ATOM 0 HD22 LEU B 55 1.988 4.368 1.095 1.00 75.02 H new ATOM 0 HD23 LEU B 55 0.579 3.908 2.081 1.00 75.02 H new ATOM 1892 N GLN B 56 3.578 2.094 5.977 1.00 61.12 N ATOM 1893 CA GLN B 56 4.495 1.175 6.700 1.00 11.44 C ATOM 1894 C GLN B 56 3.826 -0.198 6.964 1.00 4.22 C ATOM 1895 O GLN B 56 4.437 -1.235 6.745 1.00 73.02 O ATOM 1896 CB GLN B 56 4.928 1.817 8.048 1.00 75.12 C ATOM 1897 CG GLN B 56 5.677 3.163 7.904 1.00 5.32 C ATOM 1898 CD GLN B 56 5.936 3.882 9.238 1.00 53.32 C ATOM 1899 OE1 GLN B 56 6.106 3.262 10.282 1.00 74.01 O ATOM 1900 NE2 GLN B 56 5.964 5.200 9.212 1.00 40.23 N ATOM 0 H GLN B 56 3.410 2.968 6.476 1.00 61.12 H new ATOM 0 HA GLN B 56 5.371 1.009 6.073 1.00 11.44 H new ATOM 0 HB2 GLN B 56 4.042 1.972 8.664 1.00 75.12 H new ATOM 0 HB3 GLN B 56 5.568 1.114 8.582 1.00 75.12 H new ATOM 0 HG2 GLN B 56 6.631 2.984 7.408 1.00 5.32 H new ATOM 0 HG3 GLN B 56 5.099 3.821 7.255 1.00 5.32 H new ATOM 0 HE21 GLN B 56 5.820 5.696 8.332 1.00 40.23 H new ATOM 0 HE22 GLN B 56 6.130 5.724 10.072 1.00 40.23 H new ATOM 1909 N ARG B 57 2.551 -0.152 7.414 1.00 3.03 N ATOM 1910 CA ARG B 57 1.714 -1.346 7.708 1.00 12.42 C ATOM 1911 C ARG B 57 1.540 -2.253 6.459 1.00 71.42 C ATOM 1912 O ARG B 57 1.532 -3.487 6.566 1.00 32.23 O ATOM 1913 CB ARG B 57 0.317 -0.876 8.231 1.00 71.03 C ATOM 1914 CG ARG B 57 -0.672 -1.987 8.690 1.00 64.34 C ATOM 1915 CD ARG B 57 -0.298 -2.655 10.032 1.00 11.24 C ATOM 1916 NE ARG B 57 0.930 -3.470 9.953 1.00 64.44 N ATOM 1917 CZ ARG B 57 1.774 -3.679 10.944 1.00 34.14 C ATOM 1918 NH1 ARG B 57 1.617 -3.121 12.105 1.00 43.01 N ATOM 1919 NH2 ARG B 57 2.791 -4.435 10.747 1.00 5.20 N ATOM 0 H ARG B 57 2.064 0.728 7.587 1.00 3.03 H new ATOM 0 HA ARG B 57 2.219 -1.939 8.470 1.00 12.42 H new ATOM 0 HB2 ARG B 57 0.479 -0.198 9.069 1.00 71.03 H new ATOM 0 HB3 ARG B 57 -0.164 -0.298 7.442 1.00 71.03 H new ATOM 0 HG2 ARG B 57 -1.669 -1.556 8.777 1.00 64.34 H new ATOM 0 HG3 ARG B 57 -0.723 -2.754 7.917 1.00 64.34 H new ATOM 0 HD2 ARG B 57 -0.166 -1.883 10.790 1.00 11.24 H new ATOM 0 HD3 ARG B 57 -1.125 -3.286 10.359 1.00 11.24 H new ATOM 0 HE ARG B 57 1.143 -3.908 9.057 1.00 64.44 H new ATOM 0 HH11 ARG B 57 0.824 -2.501 12.270 1.00 43.01 H new ATOM 0 HH12 ARG B 57 2.287 -3.302 12.853 1.00 43.01 H new ATOM 0 HH21 ARG B 57 2.938 -4.865 9.834 1.00 5.20 H new ATOM 0 HH22 ARG B 57 3.453 -4.607 11.504 1.00 5.20 H new ATOM 1933 N VAL B 58 1.395 -1.608 5.284 1.00 22.02 N ATOM 1934 CA VAL B 58 1.273 -2.294 3.977 1.00 22.43 C ATOM 1935 C VAL B 58 2.623 -2.915 3.541 1.00 40.23 C ATOM 1936 O VAL B 58 2.647 -4.024 3.004 1.00 70.43 O ATOM 1937 CB VAL B 58 0.734 -1.316 2.862 1.00 51.44 C ATOM 1938 CG1 VAL B 58 0.660 -1.999 1.472 1.00 54.23 C ATOM 1939 CG2 VAL B 58 -0.646 -0.745 3.264 1.00 62.32 C ATOM 0 H VAL B 58 1.359 -0.591 5.212 1.00 22.02 H new ATOM 0 HA VAL B 58 0.549 -3.100 4.102 1.00 22.43 H new ATOM 0 HB VAL B 58 1.445 -0.494 2.779 1.00 51.44 H new ATOM 0 HG11 VAL B 58 0.284 -1.288 0.737 1.00 54.23 H new ATOM 0 HG12 VAL B 58 1.655 -2.333 1.177 1.00 54.23 H new ATOM 0 HG13 VAL B 58 -0.011 -2.857 1.523 1.00 54.23 H new ATOM 0 HG21 VAL B 58 -1.003 -0.073 2.484 1.00 62.32 H new ATOM 0 HG22 VAL B 58 -1.355 -1.563 3.390 1.00 62.32 H new ATOM 0 HG23 VAL B 58 -0.554 -0.197 4.201 1.00 62.32 H new ATOM 1949 N ILE B 59 3.740 -2.196 3.778 1.00 65.30 N ATOM 1950 CA ILE B 59 5.100 -2.715 3.490 1.00 64.51 C ATOM 1951 C ILE B 59 5.389 -3.978 4.354 1.00 34.55 C ATOM 1952 O ILE B 59 5.857 -4.988 3.832 1.00 61.21 O ATOM 1953 CB ILE B 59 6.206 -1.608 3.722 1.00 71.33 C ATOM 1954 CG1 ILE B 59 5.913 -0.333 2.860 1.00 25.30 C ATOM 1955 CG2 ILE B 59 7.628 -2.150 3.412 1.00 50.24 C ATOM 1956 CD1 ILE B 59 6.811 0.857 3.159 1.00 60.33 C ATOM 0 H ILE B 59 3.730 -1.254 4.168 1.00 65.30 H new ATOM 0 HA ILE B 59 5.137 -2.995 2.437 1.00 64.51 H new ATOM 0 HB ILE B 59 6.171 -1.332 4.776 1.00 71.33 H new ATOM 0 HG12 ILE B 59 6.015 -0.592 1.806 1.00 25.30 H new ATOM 0 HG13 ILE B 59 4.876 -0.036 3.016 1.00 25.30 H new ATOM 0 HG21 ILE B 59 8.363 -1.363 3.582 1.00 50.24 H new ATOM 0 HG22 ILE B 59 7.845 -2.996 4.064 1.00 50.24 H new ATOM 0 HG23 ILE B 59 7.676 -2.472 2.372 1.00 50.24 H new ATOM 0 HD11 ILE B 59 6.535 1.692 2.515 1.00 60.33 H new ATOM 0 HD12 ILE B 59 6.693 1.149 4.203 1.00 60.33 H new ATOM 0 HD13 ILE B 59 7.850 0.584 2.974 1.00 60.33 H new ATOM 1968 N ASP B 60 5.050 -3.908 5.666 1.00 30.04 N ATOM 1969 CA ASP B 60 5.126 -5.063 6.600 1.00 1.33 C ATOM 1970 C ASP B 60 4.286 -6.256 6.098 1.00 55.12 C ATOM 1971 O ASP B 60 4.726 -7.398 6.168 1.00 31.53 O ATOM 1972 CB ASP B 60 4.624 -4.672 8.016 1.00 23.02 C ATOM 1973 CG ASP B 60 5.510 -3.661 8.753 1.00 4.11 C ATOM 1974 OD1 ASP B 60 6.714 -3.942 8.935 1.00 13.11 O ATOM 1975 OD2 ASP B 60 4.998 -2.609 9.191 1.00 34.51 O ATOM 0 H ASP B 60 4.716 -3.051 6.107 1.00 30.04 H new ATOM 0 HA ASP B 60 6.175 -5.354 6.647 1.00 1.33 H new ATOM 0 HB2 ASP B 60 3.619 -4.259 7.929 1.00 23.02 H new ATOM 0 HB3 ASP B 60 4.546 -5.575 8.621 1.00 23.02 H new ATOM 1980 N TYR B 61 3.063 -5.953 5.616 1.00 22.53 N ATOM 1981 CA TYR B 61 2.125 -6.949 5.050 1.00 53.43 C ATOM 1982 C TYR B 61 2.750 -7.727 3.868 1.00 24.45 C ATOM 1983 O TYR B 61 2.729 -8.959 3.852 1.00 14.31 O ATOM 1984 CB TYR B 61 0.813 -6.238 4.605 1.00 4.21 C ATOM 1985 CG TYR B 61 -0.097 -7.064 3.670 1.00 63.30 C ATOM 1986 CD1 TYR B 61 -0.840 -8.142 4.151 1.00 33.33 C ATOM 1987 CD2 TYR B 61 -0.195 -6.767 2.307 1.00 74.33 C ATOM 1988 CE1 TYR B 61 -1.631 -8.896 3.314 1.00 62.02 C ATOM 1989 CE2 TYR B 61 -0.988 -7.516 1.474 1.00 4.01 C ATOM 1990 CZ TYR B 61 -1.707 -8.577 1.981 1.00 3.34 C ATOM 1991 OH TYR B 61 -2.492 -9.338 1.141 1.00 60.21 O ATOM 0 H TYR B 61 2.694 -5.002 5.608 1.00 22.53 H new ATOM 0 HA TYR B 61 1.898 -7.678 5.827 1.00 53.43 H new ATOM 0 HB2 TYR B 61 0.244 -5.969 5.495 1.00 4.21 H new ATOM 0 HB3 TYR B 61 1.075 -5.308 4.102 1.00 4.21 H new ATOM 0 HD1 TYR B 61 -0.794 -8.390 5.201 1.00 33.33 H new ATOM 0 HD2 TYR B 61 0.362 -5.935 1.903 1.00 74.33 H new ATOM 0 HE1 TYR B 61 -2.189 -9.734 3.704 1.00 62.02 H new ATOM 0 HE2 TYR B 61 -1.049 -7.274 0.423 1.00 4.01 H new ATOM 0 HH TYR B 61 -2.526 -10.260 1.471 1.00 60.21 H new ATOM 2001 N ILE B 62 3.295 -6.988 2.884 1.00 51.14 N ATOM 2002 CA ILE B 62 3.877 -7.590 1.667 1.00 50.11 C ATOM 2003 C ILE B 62 5.127 -8.431 2.023 1.00 55.33 C ATOM 2004 O ILE B 62 5.241 -9.575 1.598 1.00 51.25 O ATOM 2005 CB ILE B 62 4.225 -6.494 0.585 1.00 0.23 C ATOM 2006 CG1 ILE B 62 2.956 -5.635 0.235 1.00 5.05 C ATOM 2007 CG2 ILE B 62 4.815 -7.145 -0.699 1.00 2.42 C ATOM 2008 CD1 ILE B 62 3.215 -4.438 -0.674 1.00 32.14 C ATOM 0 H ILE B 62 3.345 -5.969 2.907 1.00 51.14 H new ATOM 0 HA ILE B 62 3.127 -8.250 1.231 1.00 50.11 H new ATOM 0 HB ILE B 62 4.982 -5.833 1.008 1.00 0.23 H new ATOM 0 HG12 ILE B 62 2.219 -6.281 -0.242 1.00 5.05 H new ATOM 0 HG13 ILE B 62 2.512 -5.277 1.164 1.00 5.05 H new ATOM 0 HG21 ILE B 62 5.046 -6.368 -1.428 1.00 2.42 H new ATOM 0 HG22 ILE B 62 5.726 -7.688 -0.446 1.00 2.42 H new ATOM 0 HG23 ILE B 62 4.087 -7.836 -1.124 1.00 2.42 H new ATOM 0 HD11 ILE B 62 2.279 -3.910 -0.856 1.00 32.14 H new ATOM 0 HD12 ILE B 62 3.924 -3.763 -0.194 1.00 32.14 H new ATOM 0 HD13 ILE B 62 3.627 -4.784 -1.622 1.00 32.14 H new ATOM 2020 N LEU B 63 6.026 -7.861 2.853 1.00 64.04 N ATOM 2021 CA LEU B 63 7.255 -8.556 3.330 1.00 11.42 C ATOM 2022 C LEU B 63 6.924 -9.815 4.182 1.00 42.42 C ATOM 2023 O LEU B 63 7.685 -10.785 4.185 1.00 25.23 O ATOM 2024 CB LEU B 63 8.147 -7.577 4.141 1.00 1.43 C ATOM 2025 CG LEU B 63 8.689 -6.330 3.363 1.00 35.20 C ATOM 2026 CD1 LEU B 63 9.497 -5.398 4.302 1.00 31.25 C ATOM 2027 CD2 LEU B 63 9.517 -6.754 2.120 1.00 10.14 C ATOM 0 H LEU B 63 5.927 -6.912 3.213 1.00 64.04 H new ATOM 0 HA LEU B 63 7.799 -8.894 2.448 1.00 11.42 H new ATOM 0 HB2 LEU B 63 7.575 -7.224 4.999 1.00 1.43 H new ATOM 0 HB3 LEU B 63 8.999 -8.133 4.532 1.00 1.43 H new ATOM 0 HG LEU B 63 7.832 -5.764 2.998 1.00 35.20 H new ATOM 0 HD11 LEU B 63 9.862 -4.540 3.737 1.00 31.25 H new ATOM 0 HD12 LEU B 63 8.855 -5.052 5.112 1.00 31.25 H new ATOM 0 HD13 LEU B 63 10.343 -5.945 4.718 1.00 31.25 H new ATOM 0 HD21 LEU B 63 9.878 -5.865 1.603 1.00 10.14 H new ATOM 0 HD22 LEU B 63 10.366 -7.359 2.438 1.00 10.14 H new ATOM 0 HD23 LEU B 63 8.889 -7.336 1.446 1.00 10.14 H new ATOM 2039 N ASP B 64 5.771 -9.774 4.886 1.00 72.10 N ATOM 2040 CA ASP B 64 5.237 -10.912 5.679 1.00 44.43 C ATOM 2041 C ASP B 64 4.872 -12.105 4.754 1.00 15.04 C ATOM 2042 O ASP B 64 5.011 -13.268 5.138 1.00 44.22 O ATOM 2043 CB ASP B 64 3.990 -10.442 6.483 1.00 3.41 C ATOM 2044 CG ASP B 64 3.449 -11.477 7.481 1.00 75.13 C ATOM 2045 OD1 ASP B 64 3.945 -11.528 8.625 1.00 62.20 O ATOM 2046 OD2 ASP B 64 2.526 -12.243 7.134 1.00 53.21 O ATOM 0 H ASP B 64 5.178 -8.945 4.922 1.00 72.10 H new ATOM 0 HA ASP B 64 6.005 -11.252 6.374 1.00 44.43 H new ATOM 0 HB2 ASP B 64 4.245 -9.532 7.025 1.00 3.41 H new ATOM 0 HB3 ASP B 64 3.197 -10.183 5.781 1.00 3.41 H new ATOM 2051 N LEU B 65 4.393 -11.782 3.537 1.00 11.33 N ATOM 2052 CA LEU B 65 4.077 -12.780 2.487 1.00 40.01 C ATOM 2053 C LEU B 65 5.368 -13.321 1.817 1.00 35.32 C ATOM 2054 O LEU B 65 5.479 -14.517 1.526 1.00 61.32 O ATOM 2055 CB LEU B 65 3.161 -12.134 1.412 1.00 52.32 C ATOM 2056 CG LEU B 65 1.842 -11.477 1.936 1.00 55.32 C ATOM 2057 CD1 LEU B 65 1.050 -10.817 0.787 1.00 62.13 C ATOM 2058 CD2 LEU B 65 0.975 -12.492 2.719 1.00 53.12 C ATOM 0 H LEU B 65 4.213 -10.820 3.250 1.00 11.33 H new ATOM 0 HA LEU B 65 3.562 -13.618 2.957 1.00 40.01 H new ATOM 0 HB2 LEU B 65 3.736 -11.374 0.883 1.00 52.32 H new ATOM 0 HB3 LEU B 65 2.897 -12.899 0.682 1.00 52.32 H new ATOM 0 HG LEU B 65 2.122 -10.688 2.634 1.00 55.32 H new ATOM 0 HD11 LEU B 65 0.139 -10.369 1.183 1.00 62.13 H new ATOM 0 HD12 LEU B 65 1.661 -10.044 0.321 1.00 62.13 H new ATOM 0 HD13 LEU B 65 0.790 -11.571 0.044 1.00 62.13 H new ATOM 0 HD21 LEU B 65 0.067 -12.001 3.068 1.00 53.12 H new ATOM 0 HD22 LEU B 65 0.710 -13.324 2.066 1.00 53.12 H new ATOM 0 HD23 LEU B 65 1.537 -12.867 3.575 1.00 53.12 H new ATOM 2070 N GLN B 66 6.334 -12.414 1.582 1.00 42.13 N ATOM 2071 CA GLN B 66 7.589 -12.732 0.856 1.00 24.22 C ATOM 2072 C GLN B 66 8.556 -13.595 1.708 1.00 21.33 C ATOM 2073 O GLN B 66 8.729 -13.357 2.912 1.00 40.41 O ATOM 2074 CB GLN B 66 8.331 -11.433 0.402 1.00 33.42 C ATOM 2075 CG GLN B 66 7.486 -10.429 -0.420 1.00 44.23 C ATOM 2076 CD GLN B 66 6.820 -11.016 -1.674 1.00 3.21 C ATOM 2077 OE1 GLN B 66 7.319 -11.946 -2.299 1.00 62.43 O ATOM 2078 NE2 GLN B 66 5.688 -10.464 -2.058 1.00 45.20 N ATOM 0 H GLN B 66 6.272 -11.442 1.886 1.00 42.13 H new ATOM 0 HA GLN B 66 7.293 -13.306 -0.022 1.00 24.22 H new ATOM 0 HB2 GLN B 66 8.707 -10.923 1.289 1.00 33.42 H new ATOM 0 HB3 GLN B 66 9.199 -11.721 -0.192 1.00 33.42 H new ATOM 0 HG2 GLN B 66 6.711 -10.016 0.225 1.00 44.23 H new ATOM 0 HG3 GLN B 66 8.126 -9.600 -0.721 1.00 44.23 H new ATOM 0 HE21 GLN B 66 5.290 -9.692 -1.524 1.00 45.20 H new ATOM 0 HE22 GLN B 66 5.209 -10.809 -2.890 1.00 45.20 H new ATOM 2087 N VAL B 67 9.178 -14.595 1.063 1.00 62.31 N ATOM 2088 CA VAL B 67 10.255 -15.403 1.668 1.00 72.22 C ATOM 2089 C VAL B 67 11.628 -14.711 1.451 1.00 24.23 C ATOM 2090 O VAL B 67 11.865 -14.089 0.407 1.00 52.32 O ATOM 2091 CB VAL B 67 10.270 -16.876 1.099 1.00 73.31 C ATOM 2092 CG1 VAL B 67 8.963 -17.624 1.471 1.00 63.24 C ATOM 2093 CG2 VAL B 67 10.513 -16.901 -0.438 1.00 43.24 C ATOM 0 H VAL B 67 8.950 -14.868 0.107 1.00 62.31 H new ATOM 0 HA VAL B 67 10.062 -15.474 2.738 1.00 72.22 H new ATOM 0 HB VAL B 67 11.106 -17.398 1.564 1.00 73.31 H new ATOM 0 HG11 VAL B 67 8.996 -18.636 1.068 1.00 63.24 H new ATOM 0 HG12 VAL B 67 8.865 -17.668 2.556 1.00 63.24 H new ATOM 0 HG13 VAL B 67 8.108 -17.094 1.051 1.00 63.24 H new ATOM 0 HG21 VAL B 67 10.516 -17.933 -0.789 1.00 43.24 H new ATOM 0 HG22 VAL B 67 9.719 -16.349 -0.941 1.00 43.24 H new ATOM 0 HG23 VAL B 67 11.474 -16.439 -0.662 1.00 43.24 H new ATOM 2103 N VAL B 68 12.501 -14.781 2.470 1.00 62.02 N ATOM 2104 CA VAL B 68 13.859 -14.175 2.436 1.00 24.24 C ATOM 2105 C VAL B 68 14.946 -15.298 2.474 1.00 13.11 C ATOM 2106 O VAL B 68 15.183 -15.886 3.557 1.00 37.74 O ATOM 2107 CB VAL B 68 14.048 -13.156 3.635 1.00 24.31 C ATOM 2108 CG1 VAL B 68 15.439 -12.477 3.590 1.00 31.03 C ATOM 2109 CG2 VAL B 68 12.906 -12.101 3.670 1.00 61.44 C ATOM 2110 OXT VAL B 68 15.546 -15.606 1.420 1.00 37.74 O ATOM 0 H VAL B 68 12.292 -15.259 3.347 1.00 62.02 H new ATOM 0 HA VAL B 68 13.973 -13.617 1.507 1.00 24.24 H new ATOM 0 HB VAL B 68 13.994 -13.730 4.560 1.00 24.31 H new ATOM 0 HG11 VAL B 68 15.533 -11.785 4.427 1.00 31.03 H new ATOM 0 HG12 VAL B 68 16.217 -13.237 3.658 1.00 31.03 H new ATOM 0 HG13 VAL B 68 15.547 -11.930 2.653 1.00 31.03 H new ATOM 0 HG21 VAL B 68 13.067 -11.418 4.504 1.00 61.44 H new ATOM 0 HG22 VAL B 68 12.902 -11.538 2.736 1.00 61.44 H new ATOM 0 HG23 VAL B 68 11.948 -12.606 3.794 1.00 61.44 H new TER 2120 VAL B 68