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 30 ASN : amide:sc= -1.27 K(o=-1.3,f=-0.6) USER MOD Set 1.2: B 51 GLN : amide:sc= 0.0101 K(o=-1.3,f=-0.6) USER MOD Set 2.1: B 6 HIS : no HD1:sc= 0.0433 X(o=-0.26,f=-0.41) USER MOD Set 2.2: B 8 HIS : no HD1:sc= -0.306 X(o=-0.26,f=-0.41) USER MOD Set 3.1: A 66 GLN : amide:sc= 0.458 K(o=0.82,f=0.2) USER MOD Set 3.2: B 61 TYR OH : rot 30:sc= 0.363 USER MOD Set 4.1: A 29 MET CE :methyl 155:sc= -0.171 (180deg=-0.877) USER MOD Set 4.2: A 33 TYR OH : rot -140:sc= 0.792 USER MOD Set 4.3: B 29 MET CE :methyl 172:sc= -2.47 (180deg=-2.5) USER MOD Set 4.4: B 33 TYR OH : rot 88:sc= 0.892 USER MOD Set 5.1: A 31 HIS : no HD1:sc= -0.347 X(o=-0.25,f=0.17) USER MOD Set 5.2: B 10 HIS : no HE2:sc= 0.0966 K(o=-0.25,f=-3.9) USER MOD Set 6.1: A 6 HIS : no HD1:sc= 0.408 K(o=0.84,f=-0.26) USER MOD Set 6.2: A 8 HIS : no HD1:sc= 0.437 K(o=0.84,f=-3.3!) USER MOD Single : A 1 MET CE :methyl 166:sc= -0.101 (180deg=-0.435) USER MOD Single : A 1 MET N :NH3+ -134:sc= 0.0837 (180deg=-0.0924) USER MOD Single : A 3 HIS : no HD1:sc= 0 X(o=0,f=-0.01) USER MOD Single : A 4 HIS : no HD1:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.21) USER MOD Single : A 9 SER OG : rot 180:sc= 0 USER MOD Single : A 10 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 11 MET CE :methyl 155:sc= 0 (180deg=-0.0127) USER MOD Single : A 15 LYS NZ :NH3+ 176:sc= 0 (180deg=-0.0394) USER MOD Single : A 24 SER OG : rot 48:sc= 0.265 USER MOD Single : A 30 ASN : amide:sc= -1.12 K(o=-1.1,f=-4.2!) USER MOD Single : A 32 CYS SG : rot 71:sc= 0.255 USER MOD Single : A 34 SER OG : rot 180:sc= 0 USER MOD Single : A 47 THR OG1 : rot 180:sc= 0 USER MOD Single : A 48 GLN : amide:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 50 SER OG : rot 180:sc= 0 USER MOD Single : A 51 GLN : amide:sc= 1.38 K(o=1.4,f=-0.11) USER MOD Single : A 56 GLN : amide:sc= -3.22! K(o=-3.2!,f=-0.3) USER MOD Single : A 61 TYR OH : rot 84:sc= 0 USER MOD Single : B 1 MET CE :methyl -161:sc= -0.043 (180deg=-0.382) USER MOD Single : B 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : B 3 HIS : no HD1:sc= -0.312 X(o=-0.31,f=-0.32) USER MOD Single : B 4 HIS : no HD1:sc= 0.405 K(o=0.4,f=-4.7!) USER MOD Single : B 5 HIS : no HD1:sc= -0.191 X(o=-0.19,f=-0.19) USER MOD Single : B 7 HIS : no HD1:sc= -1.29 K(o=-1.3,f=-4.4!) USER MOD Single : B 9 SER OG : rot 180:sc= 0 USER MOD Single : B 11 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : B 15 LYS NZ :NH3+ 180:sc=-0.00521 (180deg=-0.00521) USER MOD Single : B 24 SER OG : rot 180:sc= 0 USER MOD Single : B 31 HIS : no HD1:sc= -0.0385 X(o=-0.038,f=-0.5) USER MOD Single : B 32 CYS SG : rot 82:sc= 0.305 USER MOD Single : B 34 SER OG : rot 70:sc= 0.498 USER MOD Single : B 47 THR OG1 : rot 102:sc= 0.326 USER MOD Single : B 48 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : B 50 SER OG : rot 180:sc= -0.121 USER MOD Single : B 56 GLN : amide:sc= -0.116 X(o=-0.12,f=-0.37) USER MOD Single : B 66 GLN : amide:sc= -4.7! K(o=-4.7!,f=-0.12) USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 29.485 -26.476 -20.530 1.00 64.04 N ATOM 2 CA MET A 1 28.098 -26.552 -21.078 1.00 2.42 C ATOM 3 C MET A 1 27.050 -26.404 -19.952 1.00 74.35 C ATOM 4 O MET A 1 27.395 -26.039 -18.825 1.00 15.11 O ATOM 5 CB MET A 1 27.900 -27.891 -21.848 1.00 23.12 C ATOM 6 CG MET A 1 28.782 -28.051 -23.098 1.00 72.45 C ATOM 7 SD MET A 1 28.559 -29.649 -23.923 1.00 61.34 S ATOM 8 CE MET A 1 26.804 -29.641 -24.320 1.00 74.53 C ATOM 0 H1 MET A 1 30.058 -25.842 -21.123 1.00 64.04 H new ATOM 0 H2 MET A 1 29.455 -26.107 -19.558 1.00 64.04 H new ATOM 0 H3 MET A 1 29.910 -27.425 -20.527 1.00 64.04 H new ATOM 0 HA MET A 1 27.955 -25.726 -21.774 1.00 2.42 H new ATOM 0 HB2 MET A 1 28.103 -28.719 -21.168 1.00 23.12 H new ATOM 0 HB3 MET A 1 26.854 -27.972 -22.145 1.00 23.12 H new ATOM 0 HG2 MET A 1 28.554 -27.250 -23.802 1.00 72.45 H new ATOM 0 HG3 MET A 1 29.828 -27.938 -22.814 1.00 72.45 H new ATOM 0 HE1 MET A 1 26.589 -30.435 -25.036 1.00 74.53 H new ATOM 0 HE2 MET A 1 26.225 -29.805 -23.411 1.00 74.53 H new ATOM 0 HE3 MET A 1 26.534 -28.678 -24.754 1.00 74.53 H new ATOM 20 N GLY A 2 25.762 -26.651 -20.280 1.00 55.31 N ATOM 21 CA GLY A 2 24.687 -26.676 -19.276 1.00 43.32 C ATOM 22 C GLY A 2 24.219 -25.292 -18.826 1.00 35.44 C ATOM 23 O GLY A 2 24.080 -25.038 -17.625 1.00 3.24 O ATOM 0 H GLY A 2 25.447 -26.835 -21.233 1.00 55.31 H new ATOM 0 HA2 GLY A 2 23.836 -27.220 -19.685 1.00 43.32 H new ATOM 0 HA3 GLY A 2 25.032 -27.232 -18.404 1.00 43.32 H new ATOM 27 N HIS A 3 24.002 -24.382 -19.788 1.00 42.11 N ATOM 28 CA HIS A 3 23.421 -23.046 -19.520 1.00 64.03 C ATOM 29 C HIS A 3 21.878 -23.150 -19.481 1.00 10.54 C ATOM 30 O HIS A 3 21.230 -23.235 -20.529 1.00 24.30 O ATOM 31 CB HIS A 3 23.899 -22.041 -20.594 1.00 63.42 C ATOM 32 CG HIS A 3 25.401 -21.984 -20.715 1.00 63.30 C ATOM 33 ND1 HIS A 3 26.073 -22.768 -21.626 1.00 60.51 N ATOM 34 CD2 HIS A 3 26.307 -21.262 -20.008 1.00 70.52 C ATOM 35 CE1 HIS A 3 27.356 -22.509 -21.453 1.00 3.30 C ATOM 36 NE2 HIS A 3 27.542 -21.606 -20.487 1.00 32.31 N ATOM 0 H HIS A 3 24.221 -24.545 -20.771 1.00 42.11 H new ATOM 0 HA HIS A 3 23.759 -22.682 -18.550 1.00 64.03 H new ATOM 0 HB2 HIS A 3 23.472 -22.316 -21.558 1.00 63.42 H new ATOM 0 HB3 HIS A 3 23.521 -21.048 -20.350 1.00 63.42 H new ATOM 0 HD2 HIS A 3 26.095 -20.554 -19.221 1.00 70.52 H new ATOM 0 HE1 HIS A 3 28.152 -22.968 -22.020 1.00 3.30 H new ATOM 0 HE2 HIS A 3 28.438 -21.240 -20.166 1.00 32.31 H new ATOM 44 N HIS A 4 21.306 -23.181 -18.263 1.00 60.52 N ATOM 45 CA HIS A 4 19.871 -23.504 -18.041 1.00 75.12 C ATOM 46 C HIS A 4 19.131 -22.412 -17.218 1.00 44.53 C ATOM 47 O HIS A 4 17.915 -22.228 -17.385 1.00 10.24 O ATOM 48 CB HIS A 4 19.778 -24.880 -17.324 1.00 62.10 C ATOM 49 CG HIS A 4 18.370 -25.344 -17.031 1.00 33.55 C ATOM 50 ND1 HIS A 4 17.787 -25.121 -15.805 1.00 14.13 N ATOM 51 CD2 HIS A 4 17.480 -25.992 -17.825 1.00 73.12 C ATOM 52 CE1 HIS A 4 16.573 -25.630 -15.878 1.00 33.23 C ATOM 53 NE2 HIS A 4 16.343 -26.168 -17.081 1.00 4.23 N ATOM 0 H HIS A 4 21.818 -22.985 -17.403 1.00 60.52 H new ATOM 0 HA HIS A 4 19.376 -23.543 -19.011 1.00 75.12 H new ATOM 0 HB2 HIS A 4 20.273 -25.630 -17.941 1.00 62.10 H new ATOM 0 HB3 HIS A 4 20.330 -24.824 -16.386 1.00 62.10 H new ATOM 0 HD2 HIS A 4 17.638 -26.308 -18.846 1.00 73.12 H new ATOM 0 HE1 HIS A 4 15.856 -25.615 -15.070 1.00 33.23 H new ATOM 0 HE2 HIS A 4 15.483 -26.623 -17.387 1.00 4.23 H new ATOM 61 N HIS A 5 19.868 -21.697 -16.342 1.00 4.34 N ATOM 62 CA HIS A 5 19.275 -20.718 -15.392 1.00 45.22 C ATOM 63 C HIS A 5 18.535 -19.554 -16.106 1.00 2.13 C ATOM 64 O HIS A 5 19.160 -18.643 -16.665 1.00 54.22 O ATOM 65 CB HIS A 5 20.359 -20.170 -14.428 1.00 12.31 C ATOM 66 CG HIS A 5 20.909 -21.214 -13.489 1.00 61.40 C ATOM 67 ND1 HIS A 5 20.146 -21.716 -12.460 1.00 44.44 N ATOM 68 CD2 HIS A 5 22.117 -21.825 -13.473 1.00 45.24 C ATOM 69 CE1 HIS A 5 20.897 -22.610 -11.849 1.00 43.22 C ATOM 70 NE2 HIS A 5 22.099 -22.709 -12.427 1.00 12.03 N ATOM 0 H HIS A 5 20.882 -21.777 -16.269 1.00 4.34 H new ATOM 0 HA HIS A 5 18.523 -21.256 -14.815 1.00 45.22 H new ATOM 0 HB2 HIS A 5 21.177 -19.752 -15.014 1.00 12.31 H new ATOM 0 HB3 HIS A 5 19.935 -19.353 -13.843 1.00 12.31 H new ATOM 0 HD2 HIS A 5 22.937 -21.649 -14.154 1.00 45.24 H new ATOM 0 HE1 HIS A 5 20.583 -23.188 -10.992 1.00 43.22 H new ATOM 0 HE2 HIS A 5 22.859 -23.327 -12.142 1.00 12.03 H new ATOM 78 N HIS A 6 17.189 -19.623 -16.096 1.00 1.12 N ATOM 79 CA HIS A 6 16.309 -18.577 -16.654 1.00 11.02 C ATOM 80 C HIS A 6 16.088 -17.473 -15.591 1.00 42.42 C ATOM 81 O HIS A 6 15.168 -17.551 -14.770 1.00 33.00 O ATOM 82 CB HIS A 6 14.972 -19.218 -17.129 1.00 71.11 C ATOM 83 CG HIS A 6 13.998 -18.278 -17.807 1.00 63.22 C ATOM 84 ND1 HIS A 6 13.986 -18.109 -19.174 1.00 12.32 N ATOM 85 CD2 HIS A 6 13.006 -17.520 -17.272 1.00 30.45 C ATOM 86 CE1 HIS A 6 12.998 -17.269 -19.430 1.00 21.13 C ATOM 87 NE2 HIS A 6 12.378 -16.887 -18.312 1.00 11.44 N ATOM 0 H HIS A 6 16.679 -20.411 -15.698 1.00 1.12 H new ATOM 0 HA HIS A 6 16.773 -18.111 -17.523 1.00 11.02 H new ATOM 0 HB2 HIS A 6 15.204 -20.030 -17.818 1.00 71.11 H new ATOM 0 HB3 HIS A 6 14.477 -19.664 -16.266 1.00 71.11 H new ATOM 0 HD2 HIS A 6 12.759 -17.433 -16.224 1.00 30.45 H new ATOM 0 HE1 HIS A 6 12.727 -16.934 -20.420 1.00 21.13 H new ATOM 0 HE2 HIS A 6 11.587 -16.246 -18.245 1.00 11.44 H new ATOM 95 N HIS A 7 16.990 -16.483 -15.581 1.00 54.31 N ATOM 96 CA HIS A 7 16.949 -15.347 -14.637 1.00 33.53 C ATOM 97 C HIS A 7 17.543 -14.098 -15.323 1.00 4.21 C ATOM 98 O HIS A 7 18.762 -13.973 -15.473 1.00 41.41 O ATOM 99 CB HIS A 7 17.723 -15.703 -13.338 1.00 75.53 C ATOM 100 CG HIS A 7 17.620 -14.661 -12.250 1.00 73.54 C ATOM 101 ND1 HIS A 7 16.503 -14.571 -11.454 1.00 62.10 N ATOM 102 CD2 HIS A 7 18.499 -13.696 -11.874 1.00 41.02 C ATOM 103 CE1 HIS A 7 16.723 -13.570 -10.624 1.00 3.15 C ATOM 104 NE2 HIS A 7 17.917 -13.012 -10.840 1.00 23.53 N ATOM 0 H HIS A 7 17.776 -16.443 -16.230 1.00 54.31 H new ATOM 0 HA HIS A 7 15.917 -15.133 -14.357 1.00 33.53 H new ATOM 0 HB2 HIS A 7 17.348 -16.652 -12.954 1.00 75.53 H new ATOM 0 HB3 HIS A 7 18.774 -15.852 -13.584 1.00 75.53 H new ATOM 0 HD2 HIS A 7 19.470 -13.505 -12.307 1.00 41.02 H new ATOM 0 HE1 HIS A 7 16.026 -13.243 -9.866 1.00 3.15 H new ATOM 0 HE2 HIS A 7 18.319 -12.225 -10.331 1.00 23.53 H new ATOM 112 N HIS A 8 16.661 -13.191 -15.759 1.00 62.31 N ATOM 113 CA HIS A 8 17.019 -12.037 -16.619 1.00 23.30 C ATOM 114 C HIS A 8 16.818 -10.686 -15.889 1.00 2.22 C ATOM 115 O HIS A 8 16.995 -9.622 -16.487 1.00 45.12 O ATOM 116 CB HIS A 8 16.170 -12.114 -17.922 1.00 22.21 C ATOM 117 CG HIS A 8 16.198 -13.488 -18.567 1.00 72.35 C ATOM 118 ND1 HIS A 8 17.259 -13.902 -19.336 1.00 13.23 N ATOM 119 CD2 HIS A 8 15.321 -14.521 -18.452 1.00 33.31 C ATOM 120 CE1 HIS A 8 17.013 -15.160 -19.658 1.00 11.12 C ATOM 121 NE2 HIS A 8 15.854 -15.577 -19.148 1.00 11.50 N ATOM 0 H HIS A 8 15.668 -13.230 -15.528 1.00 62.31 H new ATOM 0 HA HIS A 8 18.079 -12.089 -16.867 1.00 23.30 H new ATOM 0 HB2 HIS A 8 15.138 -11.847 -17.693 1.00 22.21 H new ATOM 0 HB3 HIS A 8 16.540 -11.377 -18.634 1.00 22.21 H new ATOM 0 HD2 HIS A 8 14.384 -14.512 -17.915 1.00 33.31 H new ATOM 0 HE1 HIS A 8 17.668 -15.773 -20.259 1.00 11.12 H new ATOM 0 HE2 HIS A 8 15.442 -16.504 -19.255 1.00 11.50 H new ATOM 129 N SER A 9 16.480 -10.740 -14.584 1.00 23.41 N ATOM 130 CA SER A 9 16.218 -9.536 -13.746 1.00 3.31 C ATOM 131 C SER A 9 17.295 -9.360 -12.649 1.00 21.41 C ATOM 132 O SER A 9 17.839 -10.345 -12.134 1.00 62.44 O ATOM 133 CB SER A 9 14.817 -9.643 -13.097 1.00 44.34 C ATOM 134 OG SER A 9 14.704 -10.807 -12.284 1.00 34.33 O ATOM 0 H SER A 9 16.379 -11.618 -14.074 1.00 23.41 H new ATOM 0 HA SER A 9 16.256 -8.661 -14.395 1.00 3.31 H new ATOM 0 HB2 SER A 9 14.627 -8.756 -12.492 1.00 44.34 H new ATOM 0 HB3 SER A 9 14.055 -9.667 -13.876 1.00 44.34 H new ATOM 0 HG SER A 9 13.808 -10.844 -11.888 1.00 34.33 H new ATOM 140 N HIS A 10 17.591 -8.090 -12.298 1.00 23.42 N ATOM 141 CA HIS A 10 18.545 -7.739 -11.222 1.00 24.01 C ATOM 142 C HIS A 10 18.178 -6.364 -10.624 1.00 31.10 C ATOM 143 O HIS A 10 18.480 -5.318 -11.214 1.00 33.01 O ATOM 144 CB HIS A 10 20.007 -7.732 -11.755 1.00 3.33 C ATOM 145 CG HIS A 10 21.053 -7.497 -10.687 1.00 34.23 C ATOM 146 ND1 HIS A 10 21.700 -6.292 -10.517 1.00 60.22 N ATOM 147 CD2 HIS A 10 21.576 -8.327 -9.751 1.00 44.03 C ATOM 148 CE1 HIS A 10 22.558 -6.388 -9.525 1.00 0.41 C ATOM 149 NE2 HIS A 10 22.505 -7.607 -9.046 1.00 21.12 N ATOM 0 H HIS A 10 17.175 -7.278 -12.753 1.00 23.42 H new ATOM 0 HA HIS A 10 18.479 -8.494 -10.439 1.00 24.01 H new ATOM 0 HB2 HIS A 10 20.209 -8.686 -12.243 1.00 3.33 H new ATOM 0 HB3 HIS A 10 20.101 -6.958 -12.517 1.00 3.33 H new ATOM 0 HD2 HIS A 10 21.310 -9.362 -9.591 1.00 44.03 H new ATOM 0 HE1 HIS A 10 23.198 -5.596 -9.166 1.00 0.41 H new ATOM 0 HE2 HIS A 10 23.066 -7.963 -8.272 1.00 21.12 H new ATOM 158 N MET A 11 17.517 -6.375 -9.458 1.00 25.44 N ATOM 159 CA MET A 11 17.046 -5.151 -8.775 1.00 15.23 C ATOM 160 C MET A 11 17.327 -5.244 -7.257 1.00 71.13 C ATOM 161 O MET A 11 16.926 -6.219 -6.603 1.00 40.11 O ATOM 162 CB MET A 11 15.529 -4.949 -9.049 1.00 22.15 C ATOM 163 CG MET A 11 14.941 -3.634 -8.524 1.00 64.02 C ATOM 164 SD MET A 11 13.199 -3.457 -8.959 1.00 33.43 S ATOM 165 CE MET A 11 12.799 -1.855 -8.273 1.00 63.31 C ATOM 0 H MET A 11 17.291 -7.234 -8.956 1.00 25.44 H new ATOM 0 HA MET A 11 17.587 -4.289 -9.166 1.00 15.23 H new ATOM 0 HB2 MET A 11 15.360 -5.000 -10.125 1.00 22.15 H new ATOM 0 HB3 MET A 11 14.981 -5.778 -8.601 1.00 22.15 H new ATOM 0 HG2 MET A 11 15.051 -3.594 -7.440 1.00 64.02 H new ATOM 0 HG3 MET A 11 15.505 -2.795 -8.933 1.00 64.02 H new ATOM 0 HE1 MET A 11 11.955 -1.427 -8.815 1.00 63.31 H new ATOM 0 HE2 MET A 11 12.536 -1.965 -7.221 1.00 63.31 H new ATOM 0 HE3 MET A 11 13.661 -1.194 -8.364 1.00 63.31 H new ATOM 175 N GLY A 12 18.028 -4.235 -6.715 1.00 61.44 N ATOM 176 CA GLY A 12 18.428 -4.203 -5.298 1.00 11.41 C ATOM 177 C GLY A 12 19.855 -3.694 -5.105 1.00 41.02 C ATOM 178 O GLY A 12 20.399 -3.003 -5.976 1.00 34.34 O ATOM 0 H GLY A 12 18.333 -3.419 -7.246 1.00 61.44 H new ATOM 0 HA2 GLY A 12 17.740 -3.565 -4.744 1.00 11.41 H new ATOM 0 HA3 GLY A 12 18.343 -5.205 -4.877 1.00 11.41 H new ATOM 182 N GLY A 13 20.463 -4.041 -3.952 1.00 70.15 N ATOM 183 CA GLY A 13 21.837 -3.633 -3.622 1.00 71.12 C ATOM 184 C GLY A 13 21.956 -2.173 -3.154 1.00 21.22 C ATOM 185 O GLY A 13 21.035 -1.368 -3.350 1.00 32.02 O ATOM 0 H GLY A 13 20.016 -4.608 -3.231 1.00 70.15 H new ATOM 0 HA2 GLY A 13 22.223 -4.288 -2.840 1.00 71.12 H new ATOM 0 HA3 GLY A 13 22.469 -3.776 -4.498 1.00 71.12 H new ATOM 189 N GLY A 14 23.103 -1.834 -2.533 1.00 20.12 N ATOM 190 CA GLY A 14 23.364 -0.471 -2.038 1.00 40.55 C ATOM 191 C GLY A 14 22.500 -0.081 -0.830 1.00 25.43 C ATOM 192 O GLY A 14 22.071 1.073 -0.705 1.00 23.35 O ATOM 0 H GLY A 14 23.865 -2.490 -2.363 1.00 20.12 H new ATOM 0 HA2 GLY A 14 24.416 -0.388 -1.764 1.00 40.55 H new ATOM 0 HA3 GLY A 14 23.188 0.240 -2.845 1.00 40.55 H new ATOM 196 N LYS A 15 22.246 -1.057 0.060 1.00 13.04 N ATOM 197 CA LYS A 15 21.443 -0.851 1.285 1.00 1.24 C ATOM 198 C LYS A 15 22.314 -0.220 2.409 1.00 21.34 C ATOM 199 O LYS A 15 23.073 -0.924 3.092 1.00 1.21 O ATOM 200 CB LYS A 15 20.832 -2.204 1.749 1.00 63.31 C ATOM 201 CG LYS A 15 19.951 -2.124 3.022 1.00 23.15 C ATOM 202 CD LYS A 15 19.457 -3.515 3.499 1.00 51.11 C ATOM 203 CE LYS A 15 20.616 -4.483 3.823 1.00 4.34 C ATOM 204 NZ LYS A 15 21.550 -3.932 4.841 1.00 23.42 N ATOM 0 H LYS A 15 22.590 -2.011 -0.047 1.00 13.04 H new ATOM 0 HA LYS A 15 20.630 -0.160 1.064 1.00 1.24 H new ATOM 0 HB2 LYS A 15 20.232 -2.612 0.936 1.00 63.31 H new ATOM 0 HB3 LYS A 15 21.644 -2.908 1.931 1.00 63.31 H new ATOM 0 HG2 LYS A 15 20.520 -1.651 3.823 1.00 23.15 H new ATOM 0 HG3 LYS A 15 19.090 -1.486 2.823 1.00 23.15 H new ATOM 0 HD2 LYS A 15 18.835 -3.390 4.386 1.00 51.11 H new ATOM 0 HD3 LYS A 15 18.826 -3.956 2.727 1.00 51.11 H new ATOM 0 HE2 LYS A 15 20.207 -5.427 4.183 1.00 4.34 H new ATOM 0 HE3 LYS A 15 21.168 -4.703 2.909 1.00 4.34 H new ATOM 0 HZ1 LYS A 15 22.271 -4.645 5.073 1.00 23.42 H new ATOM 0 HZ2 LYS A 15 22.014 -3.082 4.462 1.00 23.42 H new ATOM 0 HZ3 LYS A 15 21.020 -3.683 5.700 1.00 23.42 H new ATOM 218 N GLY A 16 22.230 1.112 2.550 1.00 12.42 N ATOM 219 CA GLY A 16 22.952 1.844 3.603 1.00 1.13 C ATOM 220 C GLY A 16 22.276 1.758 4.985 1.00 55.42 C ATOM 221 O GLY A 16 21.051 1.570 5.056 1.00 30.13 O ATOM 0 H GLY A 16 21.666 1.707 1.944 1.00 12.42 H new ATOM 0 HA2 GLY A 16 23.966 1.451 3.678 1.00 1.13 H new ATOM 0 HA3 GLY A 16 23.037 2.891 3.313 1.00 1.13 H new ATOM 225 N PRO A 17 23.057 1.870 6.117 1.00 32.24 N ATOM 226 CA PRO A 17 22.490 1.898 7.496 1.00 14.41 C ATOM 227 C PRO A 17 21.595 3.135 7.768 1.00 33.31 C ATOM 228 O PRO A 17 21.792 4.206 7.179 1.00 10.42 O ATOM 229 CB PRO A 17 23.754 1.918 8.417 1.00 10.22 C ATOM 230 CG PRO A 17 24.868 1.419 7.544 1.00 51.53 C ATOM 231 CD PRO A 17 24.544 1.927 6.154 1.00 1.12 C ATOM 0 HA PRO A 17 21.832 1.046 7.669 1.00 14.41 H new ATOM 0 HB2 PRO A 17 23.960 2.923 8.786 1.00 10.22 H new ATOM 0 HB3 PRO A 17 23.618 1.279 9.290 1.00 10.22 H new ATOM 0 HG2 PRO A 17 25.833 1.794 7.885 1.00 51.53 H new ATOM 0 HG3 PRO A 17 24.925 0.331 7.562 1.00 51.53 H new ATOM 0 HD2 PRO A 17 24.913 2.941 5.998 1.00 1.12 H new ATOM 0 HD3 PRO A 17 24.992 1.302 5.381 1.00 1.12 H new ATOM 239 N ALA A 18 20.612 2.974 8.670 1.00 33.13 N ATOM 240 CA ALA A 18 19.755 4.086 9.126 1.00 64.41 C ATOM 241 C ALA A 18 20.522 4.987 10.126 1.00 32.11 C ATOM 242 O ALA A 18 20.432 4.817 11.345 1.00 61.01 O ATOM 243 CB ALA A 18 18.443 3.547 9.738 1.00 34.34 C ATOM 0 H ALA A 18 20.389 2.077 9.102 1.00 33.13 H new ATOM 0 HA ALA A 18 19.489 4.698 8.264 1.00 64.41 H new ATOM 0 HB1 ALA A 18 17.825 4.382 10.068 1.00 34.34 H new ATOM 0 HB2 ALA A 18 17.902 2.970 8.988 1.00 34.34 H new ATOM 0 HB3 ALA A 18 18.675 2.908 10.590 1.00 34.34 H new ATOM 249 N ALA A 19 21.322 5.927 9.583 1.00 51.22 N ATOM 250 CA ALA A 19 22.081 6.911 10.394 1.00 44.13 C ATOM 251 C ALA A 19 21.191 8.097 10.850 1.00 15.23 C ATOM 252 O ALA A 19 21.670 9.017 11.517 1.00 44.33 O ATOM 253 CB ALA A 19 23.308 7.404 9.607 1.00 22.52 C ATOM 0 H ALA A 19 21.462 6.028 8.578 1.00 51.22 H new ATOM 0 HA ALA A 19 22.422 6.411 11.300 1.00 44.13 H new ATOM 0 HB1 ALA A 19 23.860 8.126 10.209 1.00 22.52 H new ATOM 0 HB2 ALA A 19 23.954 6.558 9.372 1.00 22.52 H new ATOM 0 HB3 ALA A 19 22.980 7.878 8.682 1.00 22.52 H new ATOM 259 N GLU A 20 19.892 8.061 10.473 1.00 2.24 N ATOM 260 CA GLU A 20 18.867 9.041 10.914 1.00 41.13 C ATOM 261 C GLU A 20 17.612 8.305 11.445 1.00 30.13 C ATOM 262 O GLU A 20 17.368 7.137 11.103 1.00 74.24 O ATOM 263 CB GLU A 20 18.429 9.952 9.732 1.00 42.43 C ATOM 264 CG GLU A 20 19.570 10.638 8.962 1.00 53.35 C ATOM 265 CD GLU A 20 19.067 11.605 7.880 1.00 22.01 C ATOM 266 OE1 GLU A 20 18.241 11.181 7.040 1.00 50.22 O ATOM 267 OE2 GLU A 20 19.499 12.784 7.859 1.00 22.03 O ATOM 0 H GLU A 20 19.521 7.345 9.849 1.00 2.24 H new ATOM 0 HA GLU A 20 19.311 9.648 11.703 1.00 41.13 H new ATOM 0 HB2 GLU A 20 17.850 9.352 9.030 1.00 42.43 H new ATOM 0 HB3 GLU A 20 17.761 10.722 10.119 1.00 42.43 H new ATOM 0 HG2 GLU A 20 20.199 11.184 9.665 1.00 53.35 H new ATOM 0 HG3 GLU A 20 20.197 9.877 8.498 1.00 53.35 H new ATOM 274 N GLU A 21 16.818 9.011 12.264 1.00 53.33 N ATOM 275 CA GLU A 21 15.426 8.620 12.591 1.00 52.01 C ATOM 276 C GLU A 21 14.456 9.512 11.769 1.00 34.44 C ATOM 277 O GLU A 21 14.775 10.681 11.496 1.00 15.40 O ATOM 278 CB GLU A 21 15.124 8.731 14.127 1.00 21.41 C ATOM 279 CG GLU A 21 15.088 10.163 14.729 1.00 43.44 C ATOM 280 CD GLU A 21 16.462 10.854 14.786 1.00 51.11 C ATOM 281 OE1 GLU A 21 17.230 10.592 15.740 1.00 73.23 O ATOM 282 OE2 GLU A 21 16.793 11.647 13.876 1.00 33.31 O ATOM 0 H GLU A 21 17.118 9.872 12.722 1.00 53.33 H new ATOM 0 HA GLU A 21 15.285 7.572 12.327 1.00 52.01 H new ATOM 0 HB2 GLU A 21 14.162 8.256 14.320 1.00 21.41 H new ATOM 0 HB3 GLU A 21 15.877 8.155 14.664 1.00 21.41 H new ATOM 0 HG2 GLU A 21 14.408 10.777 14.138 1.00 43.44 H new ATOM 0 HG3 GLU A 21 14.677 10.112 15.737 1.00 43.44 H new ATOM 289 N PRO A 22 13.288 8.970 11.297 1.00 61.44 N ATOM 290 CA PRO A 22 12.271 9.780 10.575 1.00 33.33 C ATOM 291 C PRO A 22 11.660 10.900 11.461 1.00 11.43 C ATOM 292 O PRO A 22 10.792 10.644 12.297 1.00 64.24 O ATOM 293 CB PRO A 22 11.199 8.734 10.156 1.00 65.23 C ATOM 294 CG PRO A 22 11.915 7.420 10.219 1.00 21.44 C ATOM 295 CD PRO A 22 12.877 7.544 11.377 1.00 62.13 C ATOM 0 HA PRO A 22 12.701 10.315 9.728 1.00 33.33 H new ATOM 0 HB2 PRO A 22 10.342 8.752 10.829 1.00 65.23 H new ATOM 0 HB3 PRO A 22 10.821 8.933 9.153 1.00 65.23 H new ATOM 0 HG2 PRO A 22 11.216 6.598 10.375 1.00 21.44 H new ATOM 0 HG3 PRO A 22 12.444 7.216 9.288 1.00 21.44 H new ATOM 0 HD2 PRO A 22 12.400 7.311 12.329 1.00 62.13 H new ATOM 0 HD3 PRO A 22 13.727 6.870 11.273 1.00 62.13 H new ATOM 303 N LEU A 23 12.183 12.129 11.316 1.00 24.12 N ATOM 304 CA LEU A 23 11.607 13.322 11.974 1.00 74.10 C ATOM 305 C LEU A 23 10.273 13.713 11.296 1.00 11.14 C ATOM 306 O LEU A 23 10.207 13.815 10.059 1.00 13.15 O ATOM 307 CB LEU A 23 12.612 14.504 11.929 1.00 41.53 C ATOM 308 CG LEU A 23 13.996 14.260 12.632 1.00 73.12 C ATOM 309 CD1 LEU A 23 14.942 15.476 12.466 1.00 24.12 C ATOM 310 CD2 LEU A 23 13.813 13.896 14.133 1.00 63.23 C ATOM 0 H LEU A 23 13.007 12.326 10.748 1.00 24.12 H new ATOM 0 HA LEU A 23 11.407 13.084 13.019 1.00 74.10 H new ATOM 0 HB2 LEU A 23 12.797 14.758 10.885 1.00 41.53 H new ATOM 0 HB3 LEU A 23 12.141 15.373 12.390 1.00 41.53 H new ATOM 0 HG LEU A 23 14.464 13.409 12.137 1.00 73.12 H new ATOM 0 HD11 LEU A 23 15.889 15.271 12.965 1.00 24.12 H new ATOM 0 HD12 LEU A 23 15.122 15.655 11.406 1.00 24.12 H new ATOM 0 HD13 LEU A 23 14.482 16.358 12.910 1.00 24.12 H new ATOM 0 HD21 LEU A 23 14.789 13.734 14.590 1.00 63.23 H new ATOM 0 HD22 LEU A 23 13.304 14.712 14.646 1.00 63.23 H new ATOM 0 HD23 LEU A 23 13.217 12.987 14.217 1.00 63.23 H new ATOM 322 N SER A 24 9.212 13.908 12.112 1.00 73.13 N ATOM 323 CA SER A 24 7.856 14.250 11.625 1.00 62.11 C ATOM 324 C SER A 24 7.797 15.697 11.050 1.00 5.03 C ATOM 325 O SER A 24 7.318 16.636 11.702 1.00 22.10 O ATOM 326 CB SER A 24 6.816 14.041 12.759 1.00 33.43 C ATOM 327 OG SER A 24 7.118 14.833 13.908 1.00 53.23 O ATOM 0 H SER A 24 9.272 13.833 13.127 1.00 73.13 H new ATOM 0 HA SER A 24 7.608 13.579 10.803 1.00 62.11 H new ATOM 0 HB2 SER A 24 5.822 14.297 12.392 1.00 33.43 H new ATOM 0 HB3 SER A 24 6.791 12.988 13.040 1.00 33.43 H new ATOM 0 HG SER A 24 7.308 15.753 13.630 1.00 53.23 H new ATOM 333 N LEU A 25 8.315 15.832 9.818 1.00 55.51 N ATOM 334 CA LEU A 25 8.516 17.119 9.109 1.00 61.32 C ATOM 335 C LEU A 25 9.123 16.814 7.717 1.00 75.22 C ATOM 336 O LEU A 25 8.791 17.455 6.713 1.00 11.03 O ATOM 337 CB LEU A 25 9.448 18.073 9.943 1.00 43.23 C ATOM 338 CG LEU A 25 9.546 19.584 9.492 1.00 4.34 C ATOM 339 CD1 LEU A 25 9.886 20.513 10.682 1.00 65.52 C ATOM 340 CD2 LEU A 25 10.573 19.792 8.350 1.00 54.03 C ATOM 0 H LEU A 25 8.616 15.029 9.267 1.00 55.51 H new ATOM 0 HA LEU A 25 7.563 17.633 8.986 1.00 61.32 H new ATOM 0 HB2 LEU A 25 9.107 18.054 10.978 1.00 43.23 H new ATOM 0 HB3 LEU A 25 10.454 17.654 9.931 1.00 43.23 H new ATOM 0 HG LEU A 25 8.560 19.851 9.110 1.00 4.34 H new ATOM 0 HD11 LEU A 25 9.945 21.544 10.333 1.00 65.52 H new ATOM 0 HD12 LEU A 25 9.109 20.431 11.441 1.00 65.52 H new ATOM 0 HD13 LEU A 25 10.844 20.219 11.111 1.00 65.52 H new ATOM 0 HD21 LEU A 25 10.603 20.846 8.076 1.00 54.03 H new ATOM 0 HD22 LEU A 25 11.560 19.476 8.687 1.00 54.03 H new ATOM 0 HD23 LEU A 25 10.278 19.200 7.483 1.00 54.03 H new ATOM 352 N LEU A 26 10.031 15.818 7.695 1.00 20.03 N ATOM 353 CA LEU A 26 10.663 15.284 6.463 1.00 61.32 C ATOM 354 C LEU A 26 9.607 14.519 5.606 1.00 63.33 C ATOM 355 O LEU A 26 8.597 14.050 6.138 1.00 64.42 O ATOM 356 CB LEU A 26 11.863 14.369 6.898 1.00 61.01 C ATOM 357 CG LEU A 26 12.905 13.916 5.798 1.00 34.53 C ATOM 358 CD1 LEU A 26 14.285 13.623 6.435 1.00 41.21 C ATOM 359 CD2 LEU A 26 12.428 12.675 5.002 1.00 23.35 C ATOM 0 H LEU A 26 10.353 15.352 8.543 1.00 20.03 H new ATOM 0 HA LEU A 26 11.045 16.088 5.834 1.00 61.32 H new ATOM 0 HB2 LEU A 26 12.413 14.893 7.679 1.00 61.01 H new ATOM 0 HB3 LEU A 26 11.446 13.469 7.350 1.00 61.01 H new ATOM 0 HG LEU A 26 12.994 14.747 5.098 1.00 34.53 H new ATOM 0 HD11 LEU A 26 14.985 13.313 5.659 1.00 41.21 H new ATOM 0 HD12 LEU A 26 14.659 14.523 6.923 1.00 41.21 H new ATOM 0 HD13 LEU A 26 14.184 12.826 7.172 1.00 41.21 H new ATOM 0 HD21 LEU A 26 13.181 12.407 4.261 1.00 23.35 H new ATOM 0 HD22 LEU A 26 12.279 11.839 5.686 1.00 23.35 H new ATOM 0 HD23 LEU A 26 11.489 12.904 4.499 1.00 23.35 H new ATOM 371 N ASP A 27 9.849 14.409 4.278 1.00 21.11 N ATOM 372 CA ASP A 27 8.962 13.684 3.319 1.00 41.04 C ATOM 373 C ASP A 27 9.074 12.129 3.463 1.00 13.21 C ATOM 374 O ASP A 27 9.307 11.419 2.477 1.00 50.14 O ATOM 375 CB ASP A 27 9.334 14.103 1.868 1.00 34.23 C ATOM 376 CG ASP A 27 9.237 15.607 1.616 1.00 22.04 C ATOM 377 OD1 ASP A 27 10.198 16.335 1.948 1.00 53.10 O ATOM 378 OD2 ASP A 27 8.210 16.069 1.073 1.00 2.03 O ATOM 0 H ASP A 27 10.669 14.821 3.833 1.00 21.11 H new ATOM 0 HA ASP A 27 7.931 13.956 3.546 1.00 41.04 H new ATOM 0 HB2 ASP A 27 10.351 13.773 1.654 1.00 34.23 H new ATOM 0 HB3 ASP A 27 8.677 13.584 1.170 1.00 34.23 H new ATOM 383 N ASP A 28 8.870 11.607 4.691 1.00 15.41 N ATOM 384 CA ASP A 28 8.999 10.165 5.000 1.00 0.52 C ATOM 385 C ASP A 28 7.945 9.333 4.234 1.00 55.52 C ATOM 386 O ASP A 28 8.205 8.189 3.845 1.00 52.23 O ATOM 387 CB ASP A 28 8.870 9.935 6.528 1.00 10.41 C ATOM 388 CG ASP A 28 9.260 8.503 6.937 1.00 40.03 C ATOM 389 OD1 ASP A 28 10.473 8.189 6.903 1.00 63.25 O ATOM 390 OD2 ASP A 28 8.368 7.691 7.264 1.00 44.33 O ATOM 0 H ASP A 28 8.611 12.174 5.498 1.00 15.41 H new ATOM 0 HA ASP A 28 9.985 9.832 4.675 1.00 0.52 H new ATOM 0 HB2 ASP A 28 9.505 10.647 7.055 1.00 10.41 H new ATOM 0 HB3 ASP A 28 7.844 10.132 6.838 1.00 10.41 H new ATOM 395 N MET A 29 6.768 9.950 4.007 1.00 23.21 N ATOM 396 CA MET A 29 5.680 9.359 3.202 1.00 13.50 C ATOM 397 C MET A 29 6.162 9.024 1.772 1.00 2.23 C ATOM 398 O MET A 29 5.841 7.969 1.236 1.00 41.22 O ATOM 399 CB MET A 29 4.470 10.330 3.117 1.00 74.21 C ATOM 400 CG MET A 29 3.994 10.887 4.466 1.00 21.44 C ATOM 401 SD MET A 29 2.334 11.598 4.392 1.00 64.43 S ATOM 402 CE MET A 29 1.348 10.133 4.063 1.00 25.52 C ATOM 0 H MET A 29 6.545 10.874 4.377 1.00 23.21 H new ATOM 0 HA MET A 29 5.373 8.438 3.697 1.00 13.50 H new ATOM 0 HB2 MET A 29 4.737 11.165 2.469 1.00 74.21 H new ATOM 0 HB3 MET A 29 3.638 9.811 2.641 1.00 74.21 H new ATOM 0 HG2 MET A 29 4.008 10.088 5.208 1.00 21.44 H new ATOM 0 HG3 MET A 29 4.695 11.650 4.805 1.00 21.44 H new ATOM 0 HE1 MET A 29 0.330 10.293 4.418 1.00 25.52 H new ATOM 0 HE2 MET A 29 1.333 9.938 2.991 1.00 25.52 H new ATOM 0 HE3 MET A 29 1.783 9.278 4.581 1.00 25.52 H new ATOM 412 N ASN A 30 6.961 9.940 1.188 1.00 32.02 N ATOM 413 CA ASN A 30 7.506 9.809 -0.185 1.00 73.51 C ATOM 414 C ASN A 30 8.509 8.631 -0.281 1.00 24.21 C ATOM 415 O ASN A 30 8.556 7.929 -1.294 1.00 72.44 O ATOM 416 CB ASN A 30 8.178 11.142 -0.617 1.00 63.04 C ATOM 417 CG ASN A 30 7.232 12.356 -0.580 1.00 61.22 C ATOM 418 OD1 ASN A 30 6.288 12.422 0.204 1.00 63.54 O ATOM 419 ND2 ASN A 30 7.483 13.341 -1.413 1.00 75.03 N ATOM 0 H ASN A 30 7.250 10.799 1.657 1.00 32.02 H new ATOM 0 HA ASN A 30 6.681 9.593 -0.864 1.00 73.51 H new ATOM 0 HB2 ASN A 30 9.029 11.337 0.035 1.00 63.04 H new ATOM 0 HB3 ASN A 30 8.570 11.029 -1.628 1.00 63.04 H new ATOM 0 HD21 ASN A 30 6.891 14.172 -1.413 1.00 75.03 H new ATOM 0 HD22 ASN A 30 8.269 13.275 -2.059 1.00 75.03 H new ATOM 426 N HIS A 31 9.301 8.420 0.793 1.00 70.45 N ATOM 427 CA HIS A 31 10.213 7.250 0.909 1.00 21.52 C ATOM 428 C HIS A 31 9.403 5.928 0.965 1.00 43.10 C ATOM 429 O HIS A 31 9.772 4.928 0.329 1.00 5.22 O ATOM 430 CB HIS A 31 11.118 7.380 2.165 1.00 64.44 C ATOM 431 CG HIS A 31 12.123 8.503 2.096 1.00 73.12 C ATOM 432 ND1 HIS A 31 13.388 8.294 1.605 1.00 32.11 N ATOM 433 CD2 HIS A 31 12.011 9.802 2.464 1.00 11.24 C ATOM 434 CE1 HIS A 31 14.011 9.451 1.687 1.00 55.40 C ATOM 435 NE2 HIS A 31 13.220 10.401 2.200 1.00 72.21 N ATOM 0 H HIS A 31 9.330 9.046 1.598 1.00 70.45 H new ATOM 0 HA HIS A 31 10.850 7.229 0.025 1.00 21.52 H new ATOM 0 HB2 HIS A 31 10.485 7.528 3.040 1.00 64.44 H new ATOM 0 HB3 HIS A 31 11.651 6.441 2.313 1.00 64.44 H new ATOM 0 HD2 HIS A 31 11.137 10.277 2.885 1.00 11.24 H new ATOM 0 HE1 HIS A 31 15.033 9.613 1.379 1.00 55.40 H new ATOM 0 HE2 HIS A 31 13.466 11.377 2.363 1.00 72.21 H new ATOM 443 N CYS A 32 8.290 5.953 1.725 1.00 70.15 N ATOM 444 CA CYS A 32 7.337 4.820 1.814 1.00 42.01 C ATOM 445 C CYS A 32 6.680 4.511 0.440 1.00 33.45 C ATOM 446 O CYS A 32 6.514 3.346 0.070 1.00 43.45 O ATOM 447 CB CYS A 32 6.251 5.121 2.871 1.00 3.21 C ATOM 448 SG CYS A 32 6.890 5.422 4.537 1.00 61.42 S ATOM 0 H CYS A 32 8.024 6.756 2.295 1.00 70.15 H new ATOM 0 HA CYS A 32 7.899 3.936 2.116 1.00 42.01 H new ATOM 0 HB2 CYS A 32 5.682 5.994 2.551 1.00 3.21 H new ATOM 0 HB3 CYS A 32 5.555 4.283 2.908 1.00 3.21 H new ATOM 0 HG CYS A 32 7.502 6.568 4.566 1.00 61.42 H new ATOM 454 N TYR A 33 6.337 5.578 -0.309 1.00 73.24 N ATOM 455 CA TYR A 33 5.753 5.482 -1.672 1.00 42.15 C ATOM 456 C TYR A 33 6.756 4.907 -2.694 1.00 41.30 C ATOM 457 O TYR A 33 6.362 4.184 -3.617 1.00 34.14 O ATOM 458 CB TYR A 33 5.225 6.872 -2.142 1.00 54.23 C ATOM 459 CG TYR A 33 3.817 7.201 -1.616 1.00 33.43 C ATOM 460 CD1 TYR A 33 2.745 6.399 -1.986 1.00 31.30 C ATOM 461 CD2 TYR A 33 3.555 8.284 -0.771 1.00 14.23 C ATOM 462 CE1 TYR A 33 1.475 6.648 -1.540 1.00 50.30 C ATOM 463 CE2 TYR A 33 2.272 8.538 -0.317 1.00 11.31 C ATOM 464 CZ TYR A 33 1.240 7.716 -0.707 1.00 50.33 C ATOM 465 OH TYR A 33 -0.027 7.949 -0.243 1.00 23.51 O ATOM 0 H TYR A 33 6.456 6.539 0.012 1.00 73.24 H new ATOM 0 HA TYR A 33 4.915 4.788 -1.617 1.00 42.15 H new ATOM 0 HB2 TYR A 33 5.918 7.646 -1.812 1.00 54.23 H new ATOM 0 HB3 TYR A 33 5.213 6.898 -3.232 1.00 54.23 H new ATOM 0 HD1 TYR A 33 2.918 5.558 -2.642 1.00 31.30 H new ATOM 0 HD2 TYR A 33 4.365 8.931 -0.468 1.00 14.23 H new ATOM 0 HE1 TYR A 33 0.660 6.007 -1.842 1.00 50.30 H new ATOM 0 HE2 TYR A 33 2.083 9.375 0.338 1.00 11.31 H new ATOM 0 HH TYR A 33 -0.204 8.913 -0.246 1.00 23.51 H new ATOM 475 N SER A 34 8.047 5.235 -2.517 1.00 41.11 N ATOM 476 CA SER A 34 9.140 4.676 -3.345 1.00 52.33 C ATOM 477 C SER A 34 9.271 3.145 -3.134 1.00 11.51 C ATOM 478 O SER A 34 9.502 2.395 -4.085 1.00 24.44 O ATOM 479 CB SER A 34 10.478 5.383 -3.018 1.00 4.24 C ATOM 480 OG SER A 34 11.544 4.884 -3.814 1.00 51.25 O ATOM 0 H SER A 34 8.365 5.890 -1.803 1.00 41.11 H new ATOM 0 HA SER A 34 8.897 4.853 -4.393 1.00 52.33 H new ATOM 0 HB2 SER A 34 10.373 6.455 -3.182 1.00 4.24 H new ATOM 0 HB3 SER A 34 10.715 5.244 -1.963 1.00 4.24 H new ATOM 0 HG SER A 34 12.373 5.353 -3.582 1.00 51.25 H new ATOM 486 N ARG A 35 9.098 2.703 -1.873 1.00 21.43 N ATOM 487 CA ARG A 35 9.143 1.269 -1.486 1.00 22.40 C ATOM 488 C ARG A 35 7.878 0.482 -1.891 1.00 30.22 C ATOM 489 O ARG A 35 7.957 -0.735 -2.104 1.00 41.31 O ATOM 490 CB ARG A 35 9.432 1.134 0.032 1.00 32.43 C ATOM 491 CG ARG A 35 10.929 1.225 0.388 1.00 41.24 C ATOM 492 CD ARG A 35 11.698 -0.049 -0.009 1.00 32.11 C ATOM 493 NE ARG A 35 13.108 -0.005 0.422 1.00 13.20 N ATOM 494 CZ ARG A 35 13.756 -0.980 1.025 1.00 1.12 C ATOM 495 NH1 ARG A 35 13.165 -2.090 1.346 1.00 3.42 N ATOM 496 NH2 ARG A 35 15.003 -0.832 1.315 1.00 72.23 N ATOM 0 H ARG A 35 8.922 3.329 -1.087 1.00 21.43 H new ATOM 0 HA ARG A 35 9.960 0.816 -2.047 1.00 22.40 H new ATOM 0 HB2 ARG A 35 8.892 1.916 0.567 1.00 32.43 H new ATOM 0 HB3 ARG A 35 9.041 0.179 0.384 1.00 32.43 H new ATOM 0 HG2 ARG A 35 11.369 2.085 -0.116 1.00 41.24 H new ATOM 0 HG3 ARG A 35 11.037 1.394 1.459 1.00 41.24 H new ATOM 0 HD2 ARG A 35 11.211 -0.918 0.434 1.00 32.11 H new ATOM 0 HD3 ARG A 35 11.654 -0.176 -1.091 1.00 32.11 H new ATOM 0 HE ARG A 35 13.625 0.854 0.237 1.00 13.20 H new ATOM 0 HH11 ARG A 35 12.177 -2.222 1.132 1.00 3.42 H new ATOM 0 HH12 ARG A 35 13.689 -2.830 1.813 1.00 3.42 H new ATOM 0 HH21 ARG A 35 15.482 0.037 1.077 1.00 72.23 H new ATOM 0 HH22 ARG A 35 15.511 -1.583 1.782 1.00 72.23 H new ATOM 510 N LEU A 36 6.725 1.162 -1.987 1.00 33.42 N ATOM 511 CA LEU A 36 5.517 0.566 -2.591 1.00 54.12 C ATOM 512 C LEU A 36 5.797 0.215 -4.073 1.00 5.41 C ATOM 513 O LEU A 36 5.534 -0.901 -4.508 1.00 70.12 O ATOM 514 CB LEU A 36 4.301 1.519 -2.463 1.00 53.33 C ATOM 515 CG LEU A 36 3.771 1.765 -1.011 1.00 52.21 C ATOM 516 CD1 LEU A 36 2.601 2.772 -0.996 1.00 22.13 C ATOM 517 CD2 LEU A 36 3.361 0.434 -0.324 1.00 10.50 C ATOM 0 H LEU A 36 6.601 2.119 -1.657 1.00 33.42 H new ATOM 0 HA LEU A 36 5.269 -0.349 -2.053 1.00 54.12 H new ATOM 0 HB2 LEU A 36 4.572 2.481 -2.897 1.00 53.33 H new ATOM 0 HB3 LEU A 36 3.485 1.117 -3.063 1.00 53.33 H new ATOM 0 HG LEU A 36 4.591 2.200 -0.440 1.00 52.21 H new ATOM 0 HD11 LEU A 36 2.259 2.918 0.029 1.00 22.13 H new ATOM 0 HD12 LEU A 36 2.936 3.725 -1.406 1.00 22.13 H new ATOM 0 HD13 LEU A 36 1.780 2.385 -1.600 1.00 22.13 H new ATOM 0 HD21 LEU A 36 2.998 0.641 0.683 1.00 10.50 H new ATOM 0 HD22 LEU A 36 2.572 -0.046 -0.903 1.00 10.50 H new ATOM 0 HD23 LEU A 36 4.225 -0.228 -0.269 1.00 10.50 H new ATOM 529 N ARG A 37 6.408 1.176 -4.808 1.00 31.10 N ATOM 530 CA ARG A 37 6.833 0.983 -6.221 1.00 53.33 C ATOM 531 C ARG A 37 7.800 -0.226 -6.402 1.00 22.03 C ATOM 532 O ARG A 37 7.804 -0.865 -7.462 1.00 11.22 O ATOM 533 CB ARG A 37 7.518 2.257 -6.760 1.00 0.20 C ATOM 534 CG ARG A 37 6.616 3.506 -6.845 1.00 54.41 C ATOM 535 CD ARG A 37 7.386 4.709 -7.404 1.00 14.33 C ATOM 536 NE ARG A 37 6.559 5.921 -7.547 1.00 65.14 N ATOM 537 CZ ARG A 37 6.449 6.645 -8.643 1.00 50.23 C ATOM 538 NH1 ARG A 37 7.034 6.294 -9.748 1.00 23.02 N ATOM 539 NH2 ARG A 37 5.739 7.720 -8.628 1.00 42.31 N ATOM 0 H ARG A 37 6.621 2.104 -4.442 1.00 31.10 H new ATOM 0 HA ARG A 37 5.925 0.774 -6.786 1.00 53.33 H new ATOM 0 HB2 ARG A 37 8.371 2.488 -6.122 1.00 0.20 H new ATOM 0 HB3 ARG A 37 7.911 2.045 -7.754 1.00 0.20 H new ATOM 0 HG2 ARG A 37 5.756 3.294 -7.480 1.00 54.41 H new ATOM 0 HG3 ARG A 37 6.229 3.747 -5.855 1.00 54.41 H new ATOM 0 HD2 ARG A 37 8.228 4.929 -6.747 1.00 14.33 H new ATOM 0 HD3 ARG A 37 7.801 4.445 -8.377 1.00 14.33 H new ATOM 0 HE ARG A 37 6.028 6.224 -6.731 1.00 65.14 H new ATOM 0 HH11 ARG A 37 7.593 5.442 -9.781 1.00 23.02 H new ATOM 0 HH12 ARG A 37 6.934 6.871 -10.583 1.00 23.02 H new ATOM 0 HH21 ARG A 37 5.266 8.007 -7.771 1.00 42.31 H new ATOM 0 HH22 ARG A 37 5.650 8.284 -9.473 1.00 42.31 H new ATOM 553 N GLU A 38 8.607 -0.528 -5.356 1.00 14.41 N ATOM 554 CA GLU A 38 9.599 -1.635 -5.402 1.00 10.24 C ATOM 555 C GLU A 38 8.897 -3.015 -5.432 1.00 74.45 C ATOM 556 O GLU A 38 9.366 -3.959 -6.077 1.00 54.42 O ATOM 557 CB GLU A 38 10.552 -1.576 -4.169 1.00 64.21 C ATOM 558 CG GLU A 38 11.353 -0.270 -4.012 1.00 32.33 C ATOM 559 CD GLU A 38 12.365 -0.013 -5.139 1.00 71.03 C ATOM 560 OE1 GLU A 38 13.511 -0.500 -5.040 1.00 2.04 O ATOM 561 OE2 GLU A 38 12.030 0.684 -6.121 1.00 21.12 O ATOM 0 H GLU A 38 8.592 -0.022 -4.470 1.00 14.41 H new ATOM 0 HA GLU A 38 10.179 -1.511 -6.316 1.00 10.24 H new ATOM 0 HB2 GLU A 38 9.960 -1.729 -3.267 1.00 64.21 H new ATOM 0 HB3 GLU A 38 11.254 -2.407 -4.235 1.00 64.21 H new ATOM 0 HG2 GLU A 38 10.656 0.567 -3.966 1.00 32.33 H new ATOM 0 HG3 GLU A 38 11.884 -0.295 -3.061 1.00 32.33 H new ATOM 568 N LEU A 39 7.755 -3.101 -4.729 1.00 63.34 N ATOM 569 CA LEU A 39 7.049 -4.375 -4.461 1.00 11.43 C ATOM 570 C LEU A 39 5.853 -4.625 -5.411 1.00 13.01 C ATOM 571 O LEU A 39 5.210 -5.672 -5.318 1.00 45.15 O ATOM 572 CB LEU A 39 6.579 -4.376 -2.983 1.00 50.32 C ATOM 573 CG LEU A 39 7.708 -4.163 -1.921 1.00 10.32 C ATOM 574 CD1 LEU A 39 7.137 -4.106 -0.489 1.00 12.13 C ATOM 575 CD2 LEU A 39 8.807 -5.250 -2.048 1.00 21.54 C ATOM 0 H LEU A 39 7.290 -2.287 -4.327 1.00 63.34 H new ATOM 0 HA LEU A 39 7.749 -5.190 -4.646 1.00 11.43 H new ATOM 0 HB2 LEU A 39 5.832 -3.593 -2.856 1.00 50.32 H new ATOM 0 HB3 LEU A 39 6.084 -5.325 -2.777 1.00 50.32 H new ATOM 0 HG LEU A 39 8.171 -3.197 -2.123 1.00 10.32 H new ATOM 0 HD11 LEU A 39 7.950 -3.957 0.221 1.00 12.13 H new ATOM 0 HD12 LEU A 39 6.431 -3.279 -0.411 1.00 12.13 H new ATOM 0 HD13 LEU A 39 6.625 -5.042 -0.264 1.00 12.13 H new ATOM 0 HD21 LEU A 39 9.578 -5.077 -1.298 1.00 21.54 H new ATOM 0 HD22 LEU A 39 8.365 -6.234 -1.893 1.00 21.54 H new ATOM 0 HD23 LEU A 39 9.251 -5.204 -3.042 1.00 21.54 H new ATOM 587 N VAL A 40 5.555 -3.674 -6.321 1.00 23.00 N ATOM 588 CA VAL A 40 4.399 -3.792 -7.259 1.00 44.34 C ATOM 589 C VAL A 40 4.867 -3.982 -8.736 1.00 52.23 C ATOM 590 O VAL A 40 5.321 -3.020 -9.369 1.00 25.42 O ATOM 591 CB VAL A 40 3.445 -2.537 -7.156 1.00 3.44 C ATOM 592 CG1 VAL A 40 2.185 -2.695 -8.051 1.00 25.33 C ATOM 593 CG2 VAL A 40 3.046 -2.275 -5.685 1.00 21.54 C ATOM 0 H VAL A 40 6.093 -2.814 -6.433 1.00 23.00 H new ATOM 0 HA VAL A 40 3.843 -4.681 -6.960 1.00 44.34 H new ATOM 0 HB VAL A 40 3.998 -1.673 -7.524 1.00 3.44 H new ATOM 0 HG11 VAL A 40 1.555 -1.811 -7.952 1.00 25.33 H new ATOM 0 HG12 VAL A 40 2.490 -2.808 -9.091 1.00 25.33 H new ATOM 0 HG13 VAL A 40 1.625 -3.577 -7.739 1.00 25.33 H new ATOM 0 HG21 VAL A 40 2.389 -1.407 -5.635 1.00 21.54 H new ATOM 0 HG22 VAL A 40 2.526 -3.147 -5.288 1.00 21.54 H new ATOM 0 HG23 VAL A 40 3.942 -2.087 -5.093 1.00 21.54 H new ATOM 603 N PRO A 41 4.787 -5.235 -9.299 1.00 2.03 N ATOM 604 CA PRO A 41 4.972 -5.485 -10.755 1.00 4.11 C ATOM 605 C PRO A 41 3.706 -5.155 -11.596 1.00 42.32 C ATOM 606 O PRO A 41 3.746 -5.222 -12.828 1.00 32.20 O ATOM 607 CB PRO A 41 5.309 -6.997 -10.802 1.00 3.32 C ATOM 608 CG PRO A 41 4.542 -7.572 -9.647 1.00 30.40 C ATOM 609 CD PRO A 41 4.573 -6.510 -8.560 1.00 24.42 C ATOM 0 HA PRO A 41 5.743 -4.848 -11.190 1.00 4.11 H new ATOM 0 HB2 PRO A 41 5.004 -7.445 -11.747 1.00 3.32 H new ATOM 0 HB3 PRO A 41 6.380 -7.171 -10.697 1.00 3.32 H new ATOM 0 HG2 PRO A 41 3.517 -7.806 -9.936 1.00 30.40 H new ATOM 0 HG3 PRO A 41 4.995 -8.500 -9.300 1.00 30.40 H new ATOM 0 HD2 PRO A 41 3.641 -6.491 -7.995 1.00 24.42 H new ATOM 0 HD3 PRO A 41 5.375 -6.695 -7.845 1.00 24.42 H new ATOM 617 N GLY A 42 2.594 -4.790 -10.913 1.00 44.04 N ATOM 618 CA GLY A 42 1.336 -4.380 -11.573 1.00 72.43 C ATOM 619 C GLY A 42 1.327 -2.925 -12.078 1.00 62.44 C ATOM 620 O GLY A 42 0.262 -2.367 -12.375 1.00 73.00 O ATOM 0 H GLY A 42 2.546 -4.772 -9.894 1.00 44.04 H new ATOM 0 HA2 GLY A 42 1.149 -5.045 -12.416 1.00 72.43 H new ATOM 0 HA3 GLY A 42 0.512 -4.514 -10.872 1.00 72.43 H new ATOM 624 N VAL A 43 2.517 -2.304 -12.145 1.00 11.24 N ATOM 625 CA VAL A 43 2.717 -0.976 -12.757 1.00 3.35 C ATOM 626 C VAL A 43 2.919 -1.119 -14.296 1.00 50.04 C ATOM 627 O VAL A 43 3.759 -1.918 -14.724 1.00 25.40 O ATOM 628 CB VAL A 43 3.967 -0.257 -12.118 1.00 41.53 C ATOM 629 CG1 VAL A 43 4.230 1.125 -12.764 1.00 2.54 C ATOM 630 CG2 VAL A 43 3.810 -0.133 -10.579 1.00 62.33 C ATOM 0 H VAL A 43 3.375 -2.712 -11.773 1.00 11.24 H new ATOM 0 HA VAL A 43 1.830 -0.372 -12.568 1.00 3.35 H new ATOM 0 HB VAL A 43 4.838 -0.879 -12.322 1.00 41.53 H new ATOM 0 HG11 VAL A 43 5.099 1.586 -12.295 1.00 2.54 H new ATOM 0 HG12 VAL A 43 4.417 0.998 -13.830 1.00 2.54 H new ATOM 0 HG13 VAL A 43 3.359 1.765 -12.622 1.00 2.54 H new ATOM 0 HG21 VAL A 43 4.685 0.366 -10.163 1.00 62.33 H new ATOM 0 HG22 VAL A 43 2.917 0.449 -10.350 1.00 62.33 H new ATOM 0 HG23 VAL A 43 3.717 -1.127 -10.141 1.00 62.33 H new ATOM 640 N PRO A 44 2.142 -0.373 -15.153 1.00 22.23 N ATOM 641 CA PRO A 44 2.389 -0.329 -16.626 1.00 53.32 C ATOM 642 C PRO A 44 3.718 0.392 -17.005 1.00 61.33 C ATOM 643 O PRO A 44 4.376 1.004 -16.155 1.00 21.10 O ATOM 644 CB PRO A 44 1.154 0.450 -17.179 1.00 10.42 C ATOM 645 CG PRO A 44 0.139 0.416 -16.069 1.00 31.42 C ATOM 646 CD PRO A 44 0.943 0.429 -14.786 1.00 21.13 C ATOM 0 HA PRO A 44 2.500 -1.330 -17.043 1.00 53.32 H new ATOM 0 HB2 PRO A 44 1.419 1.475 -17.440 1.00 10.42 H new ATOM 0 HB3 PRO A 44 0.765 -0.018 -18.083 1.00 10.42 H new ATOM 0 HG2 PRO A 44 -0.530 1.275 -16.122 1.00 31.42 H new ATOM 0 HG3 PRO A 44 -0.483 -0.477 -16.133 1.00 31.42 H new ATOM 0 HD2 PRO A 44 1.209 1.442 -14.483 1.00 21.13 H new ATOM 0 HD3 PRO A 44 0.393 -0.018 -13.957 1.00 21.13 H new ATOM 654 N ARG A 45 4.106 0.306 -18.293 1.00 60.33 N ATOM 655 CA ARG A 45 5.251 1.081 -18.845 1.00 2.32 C ATOM 656 C ARG A 45 4.891 2.582 -18.965 1.00 33.51 C ATOM 657 O ARG A 45 5.759 3.453 -18.842 1.00 21.35 O ATOM 658 CB ARG A 45 5.680 0.509 -20.217 1.00 14.41 C ATOM 659 CG ARG A 45 6.325 -0.893 -20.149 1.00 40.43 C ATOM 660 CD ARG A 45 6.636 -1.471 -21.544 1.00 21.10 C ATOM 661 NE ARG A 45 7.415 -2.721 -21.482 1.00 44.23 N ATOM 662 CZ ARG A 45 6.942 -3.922 -21.209 1.00 35.32 C ATOM 663 NH1 ARG A 45 5.686 -4.128 -20.957 1.00 42.52 N ATOM 664 NH2 ARG A 45 7.743 -4.930 -21.198 1.00 53.32 N ATOM 0 H ARG A 45 3.645 -0.293 -18.978 1.00 60.33 H new ATOM 0 HA ARG A 45 6.091 0.989 -18.157 1.00 2.32 H new ATOM 0 HB2 ARG A 45 4.806 0.463 -20.867 1.00 14.41 H new ATOM 0 HB3 ARG A 45 6.386 1.199 -20.680 1.00 14.41 H new ATOM 0 HG2 ARG A 45 7.246 -0.837 -19.569 1.00 40.43 H new ATOM 0 HG3 ARG A 45 5.656 -1.571 -19.620 1.00 40.43 H new ATOM 0 HD2 ARG A 45 5.701 -1.656 -22.072 1.00 21.10 H new ATOM 0 HD3 ARG A 45 7.189 -0.732 -22.124 1.00 21.10 H new ATOM 0 HE ARG A 45 8.415 -2.651 -21.668 1.00 44.23 H new ATOM 0 HH11 ARG A 45 5.029 -3.348 -20.966 1.00 42.52 H new ATOM 0 HH12 ARG A 45 5.355 -5.070 -20.750 1.00 42.52 H new ATOM 0 HH21 ARG A 45 8.734 -4.796 -21.399 1.00 53.32 H new ATOM 0 HH22 ARG A 45 7.387 -5.862 -20.988 1.00 53.32 H new ATOM 678 N GLY A 46 3.602 2.865 -19.237 1.00 11.33 N ATOM 679 CA GLY A 46 3.057 4.228 -19.158 1.00 63.43 C ATOM 680 C GLY A 46 2.486 4.546 -17.770 1.00 33.20 C ATOM 681 O GLY A 46 2.876 3.913 -16.782 1.00 50.22 O ATOM 0 H GLY A 46 2.918 2.161 -19.515 1.00 11.33 H new ATOM 0 HA2 GLY A 46 3.842 4.945 -19.399 1.00 63.43 H new ATOM 0 HA3 GLY A 46 2.274 4.348 -19.907 1.00 63.43 H new ATOM 685 N THR A 47 1.556 5.524 -17.715 1.00 44.31 N ATOM 686 CA THR A 47 0.877 5.978 -16.469 1.00 11.05 C ATOM 687 C THR A 47 1.864 6.661 -15.485 1.00 35.03 C ATOM 688 O THR A 47 2.646 5.984 -14.800 1.00 24.21 O ATOM 689 CB THR A 47 0.101 4.812 -15.736 1.00 50.41 C ATOM 690 OG1 THR A 47 -0.826 4.195 -16.647 1.00 61.41 O ATOM 691 CG2 THR A 47 -0.667 5.299 -14.489 1.00 52.52 C ATOM 0 H THR A 47 1.247 6.032 -18.544 1.00 44.31 H new ATOM 0 HA THR A 47 0.141 6.716 -16.789 1.00 11.05 H new ATOM 0 HB THR A 47 0.850 4.094 -15.404 1.00 50.41 H new ATOM 0 HG1 THR A 47 -1.303 3.472 -16.189 1.00 61.41 H new ATOM 0 HG21 THR A 47 -1.181 4.456 -14.026 1.00 52.52 H new ATOM 0 HG22 THR A 47 0.034 5.732 -13.776 1.00 52.52 H new ATOM 0 HG23 THR A 47 -1.398 6.052 -14.783 1.00 52.52 H new ATOM 699 N GLN A 48 1.830 8.006 -15.440 1.00 12.40 N ATOM 700 CA GLN A 48 2.584 8.797 -14.446 1.00 21.00 C ATOM 701 C GLN A 48 2.002 8.560 -13.032 1.00 41.42 C ATOM 702 O GLN A 48 0.883 8.992 -12.728 1.00 71.52 O ATOM 703 CB GLN A 48 2.549 10.306 -14.822 1.00 4.10 C ATOM 704 CG GLN A 48 3.260 11.245 -13.816 1.00 3.40 C ATOM 705 CD GLN A 48 3.353 12.705 -14.274 1.00 34.44 C ATOM 706 OE1 GLN A 48 2.518 13.205 -15.023 1.00 54.45 O ATOM 707 NE2 GLN A 48 4.364 13.407 -13.814 1.00 74.11 N ATOM 0 H GLN A 48 1.283 8.573 -16.087 1.00 12.40 H new ATOM 0 HA GLN A 48 3.625 8.475 -14.445 1.00 21.00 H new ATOM 0 HB2 GLN A 48 3.009 10.432 -15.802 1.00 4.10 H new ATOM 0 HB3 GLN A 48 1.509 10.618 -14.916 1.00 4.10 H new ATOM 0 HG2 GLN A 48 2.729 11.208 -12.865 1.00 3.40 H new ATOM 0 HG3 GLN A 48 4.267 10.868 -13.634 1.00 3.40 H new ATOM 0 HE21 GLN A 48 5.046 12.972 -13.193 1.00 74.11 H new ATOM 0 HE22 GLN A 48 4.467 14.387 -14.078 1.00 74.11 H new ATOM 716 N LEU A 49 2.755 7.840 -12.188 1.00 62.11 N ATOM 717 CA LEU A 49 2.296 7.459 -10.838 1.00 14.44 C ATOM 718 C LEU A 49 2.324 8.664 -9.864 1.00 64.14 C ATOM 719 O LEU A 49 3.378 9.024 -9.321 1.00 63.31 O ATOM 720 CB LEU A 49 3.153 6.300 -10.264 1.00 25.53 C ATOM 721 CG LEU A 49 3.221 4.981 -11.091 1.00 13.42 C ATOM 722 CD1 LEU A 49 4.075 3.922 -10.355 1.00 34.44 C ATOM 723 CD2 LEU A 49 1.805 4.440 -11.417 1.00 35.31 C ATOM 0 H LEU A 49 3.692 7.506 -12.416 1.00 62.11 H new ATOM 0 HA LEU A 49 1.264 7.121 -10.936 1.00 14.44 H new ATOM 0 HB2 LEU A 49 4.171 6.667 -10.131 1.00 25.53 H new ATOM 0 HB3 LEU A 49 2.770 6.057 -9.273 1.00 25.53 H new ATOM 0 HG LEU A 49 3.704 5.205 -12.042 1.00 13.42 H new ATOM 0 HD11 LEU A 49 4.111 3.008 -10.948 1.00 34.44 H new ATOM 0 HD12 LEU A 49 5.086 4.304 -10.215 1.00 34.44 H new ATOM 0 HD13 LEU A 49 3.630 3.707 -9.383 1.00 34.44 H new ATOM 0 HD21 LEU A 49 1.891 3.520 -11.994 1.00 35.31 H new ATOM 0 HD22 LEU A 49 1.270 4.237 -10.489 1.00 35.31 H new ATOM 0 HD23 LEU A 49 1.257 5.182 -11.997 1.00 35.31 H new ATOM 735 N SER A 50 1.160 9.307 -9.688 1.00 14.25 N ATOM 736 CA SER A 50 0.928 10.258 -8.578 1.00 11.03 C ATOM 737 C SER A 50 0.769 9.468 -7.257 1.00 74.24 C ATOM 738 O SER A 50 0.499 8.268 -7.292 1.00 5.53 O ATOM 739 CB SER A 50 -0.340 11.113 -8.850 1.00 72.23 C ATOM 740 OG SER A 50 -0.254 11.787 -10.100 1.00 71.42 O ATOM 0 H SER A 50 0.355 9.187 -10.303 1.00 14.25 H new ATOM 0 HA SER A 50 1.781 10.932 -8.498 1.00 11.03 H new ATOM 0 HB2 SER A 50 -1.222 10.472 -8.841 1.00 72.23 H new ATOM 0 HB3 SER A 50 -0.467 11.842 -8.050 1.00 72.23 H new ATOM 0 HG SER A 50 -1.067 12.315 -10.244 1.00 71.42 H new ATOM 746 N GLN A 51 0.928 10.151 -6.108 1.00 14.23 N ATOM 747 CA GLN A 51 0.818 9.536 -4.751 1.00 43.14 C ATOM 748 C GLN A 51 -0.470 8.670 -4.565 1.00 44.02 C ATOM 749 O GLN A 51 -0.434 7.614 -3.924 1.00 73.21 O ATOM 750 CB GLN A 51 0.899 10.657 -3.673 1.00 5.55 C ATOM 751 CG GLN A 51 -0.154 11.780 -3.824 1.00 1.11 C ATOM 752 CD GLN A 51 0.062 12.956 -2.864 1.00 43.34 C ATOM 753 OE1 GLN A 51 0.747 13.921 -3.182 1.00 52.11 O ATOM 754 NE2 GLN A 51 -0.506 12.877 -1.680 1.00 24.44 N ATOM 0 H GLN A 51 1.137 11.149 -6.083 1.00 14.23 H new ATOM 0 HA GLN A 51 1.653 8.845 -4.635 1.00 43.14 H new ATOM 0 HB2 GLN A 51 0.787 10.203 -2.688 1.00 5.55 H new ATOM 0 HB3 GLN A 51 1.893 11.103 -3.707 1.00 5.55 H new ATOM 0 HG2 GLN A 51 -0.134 12.150 -4.849 1.00 1.11 H new ATOM 0 HG3 GLN A 51 -1.146 11.362 -3.655 1.00 1.11 H new ATOM 0 HE21 GLN A 51 -1.072 12.063 -1.439 1.00 24.44 H new ATOM 0 HE22 GLN A 51 -0.381 13.630 -1.003 1.00 24.44 H new ATOM 763 N VAL A 52 -1.597 9.131 -5.141 1.00 73.33 N ATOM 764 CA VAL A 52 -2.881 8.392 -5.115 1.00 34.24 C ATOM 765 C VAL A 52 -2.842 7.157 -6.067 1.00 53.32 C ATOM 766 O VAL A 52 -3.281 6.063 -5.695 1.00 3.05 O ATOM 767 CB VAL A 52 -4.095 9.328 -5.491 1.00 32.24 C ATOM 768 CG1 VAL A 52 -5.442 8.605 -5.272 1.00 61.33 C ATOM 769 CG2 VAL A 52 -4.050 10.659 -4.696 1.00 54.42 C ATOM 0 H VAL A 52 -1.647 10.021 -5.636 1.00 73.33 H new ATOM 0 HA VAL A 52 -3.025 8.038 -4.094 1.00 34.24 H new ATOM 0 HB VAL A 52 -4.007 9.569 -6.550 1.00 32.24 H new ATOM 0 HG11 VAL A 52 -6.261 9.273 -5.539 1.00 61.33 H new ATOM 0 HG12 VAL A 52 -5.482 7.713 -5.898 1.00 61.33 H new ATOM 0 HG13 VAL A 52 -5.535 8.318 -4.225 1.00 61.33 H new ATOM 0 HG21 VAL A 52 -4.900 11.280 -4.979 1.00 54.42 H new ATOM 0 HG22 VAL A 52 -4.095 10.447 -3.628 1.00 54.42 H new ATOM 0 HG23 VAL A 52 -3.123 11.187 -4.922 1.00 54.42 H new ATOM 779 N GLU A 53 -2.287 7.359 -7.286 1.00 73.03 N ATOM 780 CA GLU A 53 -2.159 6.300 -8.327 1.00 42.44 C ATOM 781 C GLU A 53 -1.286 5.115 -7.847 1.00 13.54 C ATOM 782 O GLU A 53 -1.529 3.960 -8.224 1.00 52.32 O ATOM 783 CB GLU A 53 -1.559 6.885 -9.643 1.00 11.55 C ATOM 784 CG GLU A 53 -2.318 8.093 -10.233 1.00 61.43 C ATOM 785 CD GLU A 53 -3.811 7.817 -10.488 1.00 3.31 C ATOM 786 OE1 GLU A 53 -4.140 7.182 -11.511 1.00 5.00 O ATOM 787 OE2 GLU A 53 -4.653 8.244 -9.667 1.00 70.42 O ATOM 0 H GLU A 53 -1.913 8.261 -7.580 1.00 73.03 H new ATOM 0 HA GLU A 53 -3.165 5.927 -8.519 1.00 42.44 H new ATOM 0 HB2 GLU A 53 -0.528 7.182 -9.452 1.00 11.55 H new ATOM 0 HB3 GLU A 53 -1.529 6.094 -10.392 1.00 11.55 H new ATOM 0 HG2 GLU A 53 -2.224 8.939 -9.551 1.00 61.43 H new ATOM 0 HG3 GLU A 53 -1.846 8.386 -11.171 1.00 61.43 H new ATOM 794 N ILE A 54 -0.264 5.428 -7.029 1.00 22.41 N ATOM 795 CA ILE A 54 0.603 4.423 -6.385 1.00 34.25 C ATOM 796 C ILE A 54 -0.228 3.480 -5.488 1.00 54.52 C ATOM 797 O ILE A 54 -0.131 2.260 -5.622 1.00 51.41 O ATOM 798 CB ILE A 54 1.738 5.116 -5.540 1.00 45.25 C ATOM 799 CG1 ILE A 54 2.687 5.951 -6.462 1.00 30.13 C ATOM 800 CG2 ILE A 54 2.540 4.089 -4.694 1.00 14.32 C ATOM 801 CD1 ILE A 54 3.723 6.777 -5.718 1.00 21.31 C ATOM 0 H ILE A 54 -0.015 6.389 -6.795 1.00 22.41 H new ATOM 0 HA ILE A 54 1.072 3.833 -7.172 1.00 34.25 H new ATOM 0 HB ILE A 54 1.254 5.798 -4.841 1.00 45.25 H new ATOM 0 HG12 ILE A 54 3.202 5.272 -7.142 1.00 30.13 H new ATOM 0 HG13 ILE A 54 2.082 6.618 -7.076 1.00 30.13 H new ATOM 0 HG21 ILE A 54 3.312 4.609 -4.127 1.00 14.32 H new ATOM 0 HG22 ILE A 54 1.866 3.579 -4.006 1.00 14.32 H new ATOM 0 HG23 ILE A 54 3.005 3.358 -5.355 1.00 14.32 H new ATOM 0 HD11 ILE A 54 4.336 7.323 -6.435 1.00 21.31 H new ATOM 0 HD12 ILE A 54 3.219 7.484 -5.059 1.00 21.31 H new ATOM 0 HD13 ILE A 54 4.357 6.117 -5.126 1.00 21.31 H new ATOM 813 N LEU A 55 -1.062 4.068 -4.600 1.00 0.33 N ATOM 814 CA LEU A 55 -1.965 3.292 -3.725 1.00 42.45 C ATOM 815 C LEU A 55 -2.907 2.386 -4.545 1.00 4.11 C ATOM 816 O LEU A 55 -3.087 1.226 -4.203 1.00 21.15 O ATOM 817 CB LEU A 55 -2.799 4.217 -2.803 1.00 43.44 C ATOM 818 CG LEU A 55 -2.009 5.040 -1.738 1.00 2.41 C ATOM 819 CD1 LEU A 55 -2.974 5.819 -0.811 1.00 63.23 C ATOM 820 CD2 LEU A 55 -1.063 4.130 -0.925 1.00 43.32 C ATOM 0 H LEU A 55 -1.127 5.078 -4.472 1.00 0.33 H new ATOM 0 HA LEU A 55 -1.331 2.661 -3.102 1.00 42.45 H new ATOM 0 HB2 LEU A 55 -3.352 4.915 -3.431 1.00 43.44 H new ATOM 0 HB3 LEU A 55 -3.535 3.605 -2.283 1.00 43.44 H new ATOM 0 HG LEU A 55 -1.394 5.770 -2.265 1.00 2.41 H new ATOM 0 HD11 LEU A 55 -2.398 6.384 -0.078 1.00 63.23 H new ATOM 0 HD12 LEU A 55 -3.576 6.505 -1.407 1.00 63.23 H new ATOM 0 HD13 LEU A 55 -3.629 5.117 -0.295 1.00 63.23 H new ATOM 0 HD21 LEU A 55 -0.525 4.729 -0.190 1.00 43.32 H new ATOM 0 HD22 LEU A 55 -1.646 3.364 -0.413 1.00 43.32 H new ATOM 0 HD23 LEU A 55 -0.350 3.653 -1.597 1.00 43.32 H new ATOM 832 N GLN A 56 -3.473 2.930 -5.637 1.00 73.42 N ATOM 833 CA GLN A 56 -4.348 2.169 -6.563 1.00 45.15 C ATOM 834 C GLN A 56 -3.611 0.947 -7.185 1.00 13.53 C ATOM 835 O GLN A 56 -4.195 -0.128 -7.321 1.00 33.22 O ATOM 836 CB GLN A 56 -4.875 3.108 -7.676 1.00 32.21 C ATOM 837 CG GLN A 56 -5.712 4.304 -7.160 1.00 35.55 C ATOM 838 CD GLN A 56 -6.126 5.304 -8.249 1.00 13.41 C ATOM 839 OE1 GLN A 56 -6.318 4.954 -9.409 1.00 14.31 O ATOM 840 NE2 GLN A 56 -6.283 6.554 -7.883 1.00 33.02 N ATOM 0 H GLN A 56 -3.341 3.905 -5.907 1.00 73.42 H new ATOM 0 HA GLN A 56 -5.189 1.780 -5.988 1.00 45.15 H new ATOM 0 HB2 GLN A 56 -4.027 3.492 -8.243 1.00 32.21 H new ATOM 0 HB3 GLN A 56 -5.484 2.526 -8.368 1.00 32.21 H new ATOM 0 HG2 GLN A 56 -6.610 3.921 -6.675 1.00 35.55 H new ATOM 0 HG3 GLN A 56 -5.138 4.832 -6.398 1.00 35.55 H new ATOM 0 HE21 GLN A 56 -6.119 6.826 -6.914 1.00 33.02 H new ATOM 0 HE22 GLN A 56 -6.569 7.254 -8.568 1.00 33.02 H new ATOM 849 N ARG A 57 -2.322 1.125 -7.543 1.00 1.01 N ATOM 850 CA ARG A 57 -1.466 0.018 -8.052 1.00 44.40 C ATOM 851 C ARG A 57 -1.239 -1.070 -6.972 1.00 3.11 C ATOM 852 O ARG A 57 -1.218 -2.263 -7.285 1.00 11.54 O ATOM 853 CB ARG A 57 -0.095 0.566 -8.591 1.00 61.44 C ATOM 854 CG ARG A 57 -0.001 0.768 -10.133 1.00 65.32 C ATOM 855 CD ARG A 57 -0.834 1.947 -10.704 1.00 0.23 C ATOM 856 NE ARG A 57 -2.293 1.793 -10.541 1.00 52.23 N ATOM 857 CZ ARG A 57 -3.065 0.938 -11.191 1.00 44.33 C ATOM 858 NH1 ARG A 57 -2.574 0.064 -12.021 1.00 31.42 N ATOM 859 NH2 ARG A 57 -4.339 0.962 -10.998 1.00 50.21 N ATOM 0 H ARG A 57 -1.845 2.025 -7.491 1.00 1.01 H new ATOM 0 HA ARG A 57 -1.996 -0.448 -8.883 1.00 44.40 H new ATOM 0 HB2 ARG A 57 0.108 1.521 -8.106 1.00 61.44 H new ATOM 0 HB3 ARG A 57 0.694 -0.121 -8.285 1.00 61.44 H new ATOM 0 HG2 ARG A 57 1.045 0.923 -10.399 1.00 65.32 H new ATOM 0 HG3 ARG A 57 -0.322 -0.151 -10.623 1.00 65.32 H new ATOM 0 HD2 ARG A 57 -0.521 2.869 -10.214 1.00 0.23 H new ATOM 0 HD3 ARG A 57 -0.608 2.057 -11.765 1.00 0.23 H new ATOM 0 HE ARG A 57 -2.749 2.404 -9.863 1.00 52.23 H new ATOM 0 HH11 ARG A 57 -1.568 0.025 -12.185 1.00 31.42 H new ATOM 0 HH12 ARG A 57 -3.195 -0.582 -12.508 1.00 31.42 H new ATOM 0 HH21 ARG A 57 -4.744 1.636 -10.349 1.00 50.21 H new ATOM 0 HH22 ARG A 57 -4.942 0.307 -11.495 1.00 50.21 H new ATOM 873 N VAL A 58 -1.063 -0.631 -5.710 1.00 11.32 N ATOM 874 CA VAL A 58 -0.848 -1.537 -4.564 1.00 34.24 C ATOM 875 C VAL A 58 -2.125 -2.356 -4.227 1.00 61.22 C ATOM 876 O VAL A 58 -2.040 -3.555 -3.998 1.00 74.34 O ATOM 877 CB VAL A 58 -0.365 -0.757 -3.283 1.00 3.20 C ATOM 878 CG1 VAL A 58 -0.136 -1.715 -2.094 1.00 60.32 C ATOM 879 CG2 VAL A 58 0.915 0.061 -3.575 1.00 34.41 C ATOM 0 H VAL A 58 -1.066 0.357 -5.457 1.00 11.32 H new ATOM 0 HA VAL A 58 -0.062 -2.229 -4.866 1.00 34.24 H new ATOM 0 HB VAL A 58 -1.158 -0.062 -3.008 1.00 3.20 H new ATOM 0 HG11 VAL A 58 0.197 -1.145 -1.226 1.00 60.32 H new ATOM 0 HG12 VAL A 58 -1.068 -2.228 -1.856 1.00 60.32 H new ATOM 0 HG13 VAL A 58 0.625 -2.449 -2.359 1.00 60.32 H new ATOM 0 HG21 VAL A 58 1.224 0.588 -2.672 1.00 34.41 H new ATOM 0 HG22 VAL A 58 1.712 -0.611 -3.893 1.00 34.41 H new ATOM 0 HG23 VAL A 58 0.713 0.783 -4.366 1.00 34.41 H new ATOM 889 N ILE A 59 -3.291 -1.690 -4.210 1.00 55.20 N ATOM 890 CA ILE A 59 -4.601 -2.323 -3.891 1.00 31.23 C ATOM 891 C ILE A 59 -4.918 -3.483 -4.870 1.00 74.44 C ATOM 892 O ILE A 59 -5.229 -4.604 -4.448 1.00 14.24 O ATOM 893 CB ILE A 59 -5.753 -1.239 -3.926 1.00 4.42 C ATOM 894 CG1 ILE A 59 -5.512 -0.148 -2.827 1.00 74.44 C ATOM 895 CG2 ILE A 59 -7.160 -1.872 -3.762 1.00 33.50 C ATOM 896 CD1 ILE A 59 -6.365 1.102 -2.960 1.00 73.42 C ATOM 0 H ILE A 59 -3.362 -0.694 -4.416 1.00 55.20 H new ATOM 0 HA ILE A 59 -4.540 -2.742 -2.887 1.00 31.23 H new ATOM 0 HB ILE A 59 -5.723 -0.768 -4.909 1.00 4.42 H new ATOM 0 HG12 ILE A 59 -5.697 -0.593 -1.849 1.00 74.44 H new ATOM 0 HG13 ILE A 59 -4.462 0.144 -2.851 1.00 74.44 H new ATOM 0 HG21 ILE A 59 -7.917 -1.089 -3.792 1.00 33.50 H new ATOM 0 HG22 ILE A 59 -7.337 -2.580 -4.572 1.00 33.50 H new ATOM 0 HG23 ILE A 59 -7.215 -2.393 -2.806 1.00 33.50 H new ATOM 0 HD11 ILE A 59 -6.124 1.795 -2.154 1.00 73.42 H new ATOM 0 HD12 ILE A 59 -6.165 1.579 -3.920 1.00 73.42 H new ATOM 0 HD13 ILE A 59 -7.419 0.831 -2.902 1.00 73.42 H new ATOM 908 N ASP A 60 -4.801 -3.194 -6.176 1.00 22.22 N ATOM 909 CA ASP A 60 -4.982 -4.190 -7.254 1.00 44.12 C ATOM 910 C ASP A 60 -3.905 -5.311 -7.202 1.00 14.50 C ATOM 911 O ASP A 60 -4.215 -6.477 -7.467 1.00 10.35 O ATOM 912 CB ASP A 60 -4.987 -3.472 -8.629 1.00 72.23 C ATOM 913 CG ASP A 60 -6.241 -2.601 -8.826 1.00 1.30 C ATOM 914 OD1 ASP A 60 -6.457 -1.660 -8.036 1.00 70.53 O ATOM 915 OD2 ASP A 60 -7.024 -2.853 -9.765 1.00 73.14 O ATOM 0 H ASP A 60 -4.577 -2.260 -6.519 1.00 22.22 H new ATOM 0 HA ASP A 60 -5.943 -4.682 -7.107 1.00 44.12 H new ATOM 0 HB2 ASP A 60 -4.097 -2.849 -8.715 1.00 72.23 H new ATOM 0 HB3 ASP A 60 -4.934 -4.215 -9.425 1.00 72.23 H new ATOM 920 N TYR A 61 -2.658 -4.941 -6.841 1.00 33.30 N ATOM 921 CA TYR A 61 -1.553 -5.911 -6.603 1.00 5.03 C ATOM 922 C TYR A 61 -1.929 -6.944 -5.511 1.00 33.23 C ATOM 923 O TYR A 61 -1.753 -8.152 -5.695 1.00 3.04 O ATOM 924 CB TYR A 61 -0.254 -5.149 -6.208 1.00 61.53 C ATOM 925 CG TYR A 61 0.864 -6.025 -5.606 1.00 60.42 C ATOM 926 CD1 TYR A 61 1.593 -6.908 -6.402 1.00 12.21 C ATOM 927 CD2 TYR A 61 1.171 -5.975 -4.240 1.00 10.42 C ATOM 928 CE1 TYR A 61 2.584 -7.708 -5.865 1.00 63.23 C ATOM 929 CE2 TYR A 61 2.165 -6.769 -3.707 1.00 12.14 C ATOM 930 CZ TYR A 61 2.867 -7.632 -4.521 1.00 42.31 C ATOM 931 OH TYR A 61 3.854 -8.435 -3.987 1.00 1.31 O ATOM 0 H TYR A 61 -2.384 -3.968 -6.705 1.00 33.30 H new ATOM 0 HA TYR A 61 -1.379 -6.460 -7.528 1.00 5.03 H new ATOM 0 HB2 TYR A 61 0.137 -4.647 -7.093 1.00 61.53 H new ATOM 0 HB3 TYR A 61 -0.512 -4.372 -5.488 1.00 61.53 H new ATOM 0 HD1 TYR A 61 1.379 -6.968 -7.459 1.00 12.21 H new ATOM 0 HD2 TYR A 61 0.622 -5.305 -3.595 1.00 10.42 H new ATOM 0 HE1 TYR A 61 3.133 -8.389 -6.498 1.00 63.23 H new ATOM 0 HE2 TYR A 61 2.393 -6.715 -2.653 1.00 12.14 H new ATOM 0 HH TYR A 61 4.728 -8.012 -4.121 1.00 1.31 H new ATOM 941 N ILE A 62 -2.453 -6.439 -4.381 1.00 53.13 N ATOM 942 CA ILE A 62 -2.867 -7.273 -3.240 1.00 52.31 C ATOM 943 C ILE A 62 -4.078 -8.180 -3.622 1.00 35.34 C ATOM 944 O ILE A 62 -4.222 -9.275 -3.088 1.00 60.31 O ATOM 945 CB ILE A 62 -3.204 -6.383 -1.979 1.00 22.13 C ATOM 946 CG1 ILE A 62 -1.979 -5.498 -1.554 1.00 12.21 C ATOM 947 CG2 ILE A 62 -3.659 -7.246 -0.784 1.00 72.12 C ATOM 948 CD1 ILE A 62 -2.257 -4.516 -0.414 1.00 22.15 C ATOM 0 H ILE A 62 -2.601 -5.441 -4.233 1.00 53.13 H new ATOM 0 HA ILE A 62 -2.030 -7.921 -2.978 1.00 52.31 H new ATOM 0 HB ILE A 62 -4.024 -5.727 -2.269 1.00 22.13 H new ATOM 0 HG12 ILE A 62 -1.161 -6.154 -1.257 1.00 12.21 H new ATOM 0 HG13 ILE A 62 -1.637 -4.936 -2.423 1.00 12.21 H new ATOM 0 HG21 ILE A 62 -3.883 -6.601 0.066 1.00 72.12 H new ATOM 0 HG22 ILE A 62 -4.552 -7.807 -1.059 1.00 72.12 H new ATOM 0 HG23 ILE A 62 -2.864 -7.941 -0.513 1.00 72.12 H new ATOM 0 HD11 ILE A 62 -1.352 -3.950 -0.192 1.00 22.15 H new ATOM 0 HD12 ILE A 62 -3.050 -3.830 -0.710 1.00 22.15 H new ATOM 0 HD13 ILE A 62 -2.567 -5.067 0.474 1.00 22.15 H new ATOM 960 N LEU A 63 -4.924 -7.716 -4.567 1.00 22.02 N ATOM 961 CA LEU A 63 -6.047 -8.525 -5.117 1.00 62.52 C ATOM 962 C LEU A 63 -5.546 -9.711 -5.985 1.00 4.45 C ATOM 963 O LEU A 63 -6.208 -10.749 -6.055 1.00 53.01 O ATOM 964 CB LEU A 63 -7.011 -7.634 -5.943 1.00 62.21 C ATOM 965 CG LEU A 63 -7.786 -6.532 -5.149 1.00 73.35 C ATOM 966 CD1 LEU A 63 -8.672 -5.689 -6.089 1.00 11.42 C ATOM 967 CD2 LEU A 63 -8.619 -7.150 -3.995 1.00 35.35 C ATOM 0 H LEU A 63 -4.854 -6.782 -4.970 1.00 22.02 H new ATOM 0 HA LEU A 63 -6.584 -8.942 -4.265 1.00 62.52 H new ATOM 0 HB2 LEU A 63 -6.437 -7.148 -6.731 1.00 62.21 H new ATOM 0 HB3 LEU A 63 -7.740 -8.280 -6.432 1.00 62.21 H new ATOM 0 HG LEU A 63 -7.049 -5.865 -4.702 1.00 73.35 H new ATOM 0 HD11 LEU A 63 -9.199 -4.931 -5.510 1.00 11.42 H new ATOM 0 HD12 LEU A 63 -8.048 -5.204 -6.839 1.00 11.42 H new ATOM 0 HD13 LEU A 63 -9.396 -6.336 -6.584 1.00 11.42 H new ATOM 0 HD21 LEU A 63 -9.146 -6.358 -3.462 1.00 35.35 H new ATOM 0 HD22 LEU A 63 -9.342 -7.855 -4.405 1.00 35.35 H new ATOM 0 HD23 LEU A 63 -7.955 -7.671 -3.306 1.00 35.35 H new ATOM 979 N ASP A 64 -4.397 -9.532 -6.675 1.00 2.21 N ATOM 980 CA ASP A 64 -3.746 -10.620 -7.447 1.00 52.45 C ATOM 981 C ASP A 64 -3.206 -11.728 -6.514 1.00 62.45 C ATOM 982 O ASP A 64 -3.128 -12.903 -6.892 1.00 30.15 O ATOM 983 CB ASP A 64 -2.595 -10.062 -8.321 1.00 51.34 C ATOM 984 CG ASP A 64 -3.049 -8.988 -9.320 1.00 0.33 C ATOM 985 OD1 ASP A 64 -4.054 -9.212 -10.038 1.00 32.31 O ATOM 986 OD2 ASP A 64 -2.402 -7.925 -9.406 1.00 55.14 O ATOM 0 H ASP A 64 -3.899 -8.643 -6.714 1.00 2.21 H new ATOM 0 HA ASP A 64 -4.505 -11.057 -8.096 1.00 52.45 H new ATOM 0 HB2 ASP A 64 -1.827 -9.641 -7.671 1.00 51.34 H new ATOM 0 HB3 ASP A 64 -2.134 -10.884 -8.868 1.00 51.34 H new ATOM 991 N LEU A 65 -2.810 -11.325 -5.301 1.00 44.13 N ATOM 992 CA LEU A 65 -2.312 -12.247 -4.267 1.00 50.42 C ATOM 993 C LEU A 65 -3.486 -12.939 -3.527 1.00 3.30 C ATOM 994 O LEU A 65 -3.474 -14.158 -3.324 1.00 20.44 O ATOM 995 CB LEU A 65 -1.422 -11.463 -3.276 1.00 12.52 C ATOM 996 CG LEU A 65 -0.276 -10.617 -3.923 1.00 5.54 C ATOM 997 CD1 LEU A 65 0.573 -9.915 -2.849 1.00 54.42 C ATOM 998 CD2 LEU A 65 0.603 -11.467 -4.870 1.00 35.52 C ATOM 0 H LEU A 65 -2.825 -10.349 -5.006 1.00 44.13 H new ATOM 0 HA LEU A 65 -1.720 -13.030 -4.741 1.00 50.42 H new ATOM 0 HB2 LEU A 65 -2.058 -10.796 -2.693 1.00 12.52 H new ATOM 0 HB3 LEU A 65 -0.977 -12.171 -2.577 1.00 12.52 H new ATOM 0 HG LEU A 65 -0.748 -9.845 -4.531 1.00 5.54 H new ATOM 0 HD11 LEU A 65 1.361 -9.335 -3.330 1.00 54.42 H new ATOM 0 HD12 LEU A 65 -0.060 -9.250 -2.262 1.00 54.42 H new ATOM 0 HD13 LEU A 65 1.021 -10.662 -2.193 1.00 54.42 H new ATOM 0 HD21 LEU A 65 1.386 -10.842 -5.298 1.00 35.52 H new ATOM 0 HD22 LEU A 65 1.057 -12.284 -4.309 1.00 35.52 H new ATOM 0 HD23 LEU A 65 -0.014 -11.875 -5.671 1.00 35.52 H new ATOM 1010 N GLN A 66 -4.500 -12.141 -3.141 1.00 61.32 N ATOM 1011 CA GLN A 66 -5.704 -12.640 -2.436 1.00 21.51 C ATOM 1012 C GLN A 66 -6.720 -13.212 -3.450 1.00 63.24 C ATOM 1013 O GLN A 66 -7.504 -12.477 -4.066 1.00 0.24 O ATOM 1014 CB GLN A 66 -6.376 -11.532 -1.581 1.00 13.21 C ATOM 1015 CG GLN A 66 -5.507 -10.974 -0.431 1.00 33.31 C ATOM 1016 CD GLN A 66 -6.247 -9.986 0.481 1.00 60.44 C ATOM 1017 OE1 GLN A 66 -7.453 -10.059 0.661 1.00 10.41 O ATOM 1018 NE2 GLN A 66 -5.530 -9.076 1.095 1.00 45.02 N ATOM 0 H GLN A 66 -4.511 -11.135 -3.307 1.00 61.32 H new ATOM 0 HA GLN A 66 -5.381 -13.431 -1.760 1.00 21.51 H new ATOM 0 HB2 GLN A 66 -6.656 -10.708 -2.237 1.00 13.21 H new ATOM 0 HB3 GLN A 66 -7.298 -11.930 -1.158 1.00 13.21 H new ATOM 0 HG2 GLN A 66 -5.140 -11.805 0.171 1.00 33.31 H new ATOM 0 HG3 GLN A 66 -4.634 -10.478 -0.855 1.00 33.31 H new ATOM 0 HE21 GLN A 66 -4.524 -9.026 0.935 1.00 45.02 H new ATOM 0 HE22 GLN A 66 -5.978 -8.418 1.732 1.00 45.02 H new ATOM 1027 N VAL A 67 -6.681 -14.535 -3.612 1.00 13.24 N ATOM 1028 CA VAL A 67 -7.518 -15.257 -4.582 1.00 52.34 C ATOM 1029 C VAL A 67 -8.892 -15.588 -3.943 1.00 40.05 C ATOM 1030 O VAL A 67 -9.039 -16.580 -3.222 1.00 62.02 O ATOM 1031 CB VAL A 67 -6.797 -16.564 -5.096 1.00 72.04 C ATOM 1032 CG1 VAL A 67 -7.620 -17.271 -6.202 1.00 63.15 C ATOM 1033 CG2 VAL A 67 -5.356 -16.244 -5.586 1.00 41.25 C ATOM 0 H VAL A 67 -6.065 -15.143 -3.072 1.00 13.24 H new ATOM 0 HA VAL A 67 -7.681 -14.617 -5.449 1.00 52.34 H new ATOM 0 HB VAL A 67 -6.724 -17.254 -4.255 1.00 72.04 H new ATOM 0 HG11 VAL A 67 -7.093 -18.166 -6.532 1.00 63.15 H new ATOM 0 HG12 VAL A 67 -8.597 -17.550 -5.807 1.00 63.15 H new ATOM 0 HG13 VAL A 67 -7.750 -16.595 -7.047 1.00 63.15 H new ATOM 0 HG21 VAL A 67 -4.879 -17.160 -5.935 1.00 41.25 H new ATOM 0 HG22 VAL A 67 -5.401 -15.524 -6.403 1.00 41.25 H new ATOM 0 HG23 VAL A 67 -4.777 -15.824 -4.764 1.00 41.25 H new ATOM 1043 N VAL A 68 -9.863 -14.685 -4.147 1.00 21.15 N ATOM 1044 CA VAL A 68 -11.253 -14.867 -3.666 1.00 71.03 C ATOM 1045 C VAL A 68 -12.074 -15.819 -4.604 1.00 32.12 C ATOM 1046 O VAL A 68 -12.133 -15.577 -5.833 1.00 36.39 O ATOM 1047 CB VAL A 68 -11.980 -13.473 -3.456 1.00 51.11 C ATOM 1048 CG1 VAL A 68 -11.378 -12.717 -2.241 1.00 21.01 C ATOM 1049 CG2 VAL A 68 -11.919 -12.587 -4.731 1.00 25.25 C ATOM 1050 OXT VAL A 68 -12.655 -16.812 -4.108 1.00 36.39 O ATOM 0 H VAL A 68 -9.714 -13.809 -4.648 1.00 21.15 H new ATOM 0 HA VAL A 68 -11.199 -15.353 -2.692 1.00 71.03 H new ATOM 0 HB VAL A 68 -13.030 -13.684 -3.254 1.00 51.11 H new ATOM 0 HG11 VAL A 68 -11.891 -11.764 -2.115 1.00 21.01 H new ATOM 0 HG12 VAL A 68 -11.503 -13.318 -1.340 1.00 21.01 H new ATOM 0 HG13 VAL A 68 -10.317 -12.538 -2.413 1.00 21.01 H new ATOM 0 HG21 VAL A 68 -12.429 -11.642 -4.542 1.00 25.25 H new ATOM 0 HG22 VAL A 68 -10.878 -12.392 -4.989 1.00 25.25 H new ATOM 0 HG23 VAL A 68 -12.407 -13.104 -5.557 1.00 25.25 H new TER 1060 VAL A 68 ATOM 1061 N MET B 1 30.515 -4.339 6.383 1.00 13.02 N ATOM 1062 CA MET B 1 31.487 -3.218 6.488 1.00 55.52 C ATOM 1063 C MET B 1 31.074 -2.287 7.653 1.00 12.40 C ATOM 1064 O MET B 1 30.062 -1.583 7.560 1.00 22.44 O ATOM 1065 CB MET B 1 31.565 -2.473 5.118 1.00 62.14 C ATOM 1066 CG MET B 1 32.680 -1.413 4.994 1.00 75.34 C ATOM 1067 SD MET B 1 32.273 0.143 5.814 1.00 31.21 S ATOM 1068 CE MET B 1 30.954 0.785 4.769 1.00 61.13 C ATOM 0 H1 MET B 1 30.791 -4.966 5.600 1.00 13.02 H new ATOM 0 H2 MET B 1 30.509 -4.878 7.273 1.00 13.02 H new ATOM 0 H3 MET B 1 29.564 -3.958 6.203 1.00 13.02 H new ATOM 0 HA MET B 1 32.486 -3.591 6.712 1.00 55.52 H new ATOM 0 HB2 MET B 1 31.704 -3.213 4.330 1.00 62.14 H new ATOM 0 HB3 MET B 1 30.606 -1.988 4.934 1.00 62.14 H new ATOM 0 HG2 MET B 1 33.601 -1.811 5.420 1.00 75.34 H new ATOM 0 HG3 MET B 1 32.874 -1.221 3.939 1.00 75.34 H new ATOM 0 HE1 MET B 1 30.842 1.856 4.941 1.00 61.13 H new ATOM 0 HE2 MET B 1 31.201 0.610 3.722 1.00 61.13 H new ATOM 0 HE3 MET B 1 30.019 0.279 5.011 1.00 61.13 H new ATOM 1080 N GLY B 2 31.853 -2.316 8.758 1.00 74.31 N ATOM 1081 CA GLY B 2 31.514 -1.591 9.998 1.00 62.15 C ATOM 1082 C GLY B 2 31.901 -0.108 9.983 1.00 51.20 C ATOM 1083 O GLY B 2 32.779 0.327 10.741 1.00 45.22 O ATOM 0 H GLY B 2 32.727 -2.839 8.813 1.00 74.31 H new ATOM 0 HA2 GLY B 2 30.441 -1.673 10.172 1.00 62.15 H new ATOM 0 HA3 GLY B 2 32.012 -2.077 10.837 1.00 62.15 H new ATOM 1087 N HIS B 3 31.229 0.659 9.111 1.00 4.53 N ATOM 1088 CA HIS B 3 31.413 2.119 8.975 1.00 20.23 C ATOM 1089 C HIS B 3 30.255 2.711 8.126 1.00 42.52 C ATOM 1090 O HIS B 3 29.514 1.969 7.469 1.00 0.54 O ATOM 1091 CB HIS B 3 32.807 2.437 8.335 1.00 4.31 C ATOM 1092 CG HIS B 3 33.137 3.906 8.197 1.00 43.34 C ATOM 1093 ND1 HIS B 3 33.256 4.719 9.301 1.00 33.05 N ATOM 1094 CD2 HIS B 3 33.327 4.661 7.084 1.00 35.12 C ATOM 1095 CE1 HIS B 3 33.513 5.928 8.841 1.00 62.51 C ATOM 1096 NE2 HIS B 3 33.562 5.942 7.506 1.00 73.35 N ATOM 0 H HIS B 3 30.532 0.281 8.470 1.00 4.53 H new ATOM 0 HA HIS B 3 31.390 2.581 9.962 1.00 20.23 H new ATOM 0 HB2 HIS B 3 33.581 1.963 8.938 1.00 4.31 H new ATOM 0 HB3 HIS B 3 32.847 1.978 7.347 1.00 4.31 H new ATOM 0 HD2 HIS B 3 33.298 4.316 6.061 1.00 35.12 H new ATOM 0 HE1 HIS B 3 33.665 6.797 9.465 1.00 62.51 H new ATOM 0 HE2 HIS B 3 33.741 6.753 6.914 1.00 73.35 H new ATOM 1104 N HIS B 4 30.086 4.041 8.179 1.00 2.53 N ATOM 1105 CA HIS B 4 29.090 4.771 7.363 1.00 2.24 C ATOM 1106 C HIS B 4 29.549 6.230 7.133 1.00 21.23 C ATOM 1107 O HIS B 4 30.352 6.763 7.904 1.00 30.13 O ATOM 1108 CB HIS B 4 27.682 4.736 8.037 1.00 72.34 C ATOM 1109 CG HIS B 4 27.615 5.422 9.382 1.00 14.34 C ATOM 1110 ND1 HIS B 4 27.113 6.696 9.516 1.00 32.04 N ATOM 1111 CD2 HIS B 4 28.020 4.984 10.602 1.00 13.43 C ATOM 1112 CE1 HIS B 4 27.224 7.003 10.794 1.00 72.14 C ATOM 1113 NE2 HIS B 4 27.770 5.996 11.494 1.00 34.53 N ATOM 0 H HIS B 4 30.635 4.647 8.789 1.00 2.53 H new ATOM 0 HA HIS B 4 29.011 4.275 6.396 1.00 2.24 H new ATOM 0 HB2 HIS B 4 26.961 5.205 7.368 1.00 72.34 H new ATOM 0 HB3 HIS B 4 27.376 3.697 8.157 1.00 72.34 H new ATOM 0 HD2 HIS B 4 28.456 4.022 10.827 1.00 13.43 H new ATOM 0 HE1 HIS B 4 26.915 7.945 11.223 1.00 72.14 H new ATOM 0 HE2 HIS B 4 27.962 5.985 12.496 1.00 34.53 H new ATOM 1121 N HIS B 5 29.033 6.868 6.068 1.00 31.23 N ATOM 1122 CA HIS B 5 29.270 8.310 5.779 1.00 43.23 C ATOM 1123 C HIS B 5 27.980 9.123 6.106 1.00 55.54 C ATOM 1124 O HIS B 5 27.704 10.173 5.508 1.00 35.42 O ATOM 1125 CB HIS B 5 29.705 8.461 4.290 1.00 5.21 C ATOM 1126 CG HIS B 5 30.134 9.858 3.884 1.00 42.44 C ATOM 1127 ND1 HIS B 5 31.220 10.469 4.468 1.00 10.23 N ATOM 1128 CD2 HIS B 5 29.568 10.730 3.003 1.00 10.25 C ATOM 1129 CE1 HIS B 5 31.286 11.676 3.946 1.00 22.12 C ATOM 1130 NE2 HIS B 5 30.310 11.881 3.056 1.00 72.15 N ATOM 0 H HIS B 5 28.439 6.407 5.379 1.00 31.23 H new ATOM 0 HA HIS B 5 30.071 8.706 6.404 1.00 43.23 H new ATOM 0 HB2 HIS B 5 30.529 7.774 4.097 1.00 5.21 H new ATOM 0 HB3 HIS B 5 28.877 8.152 3.652 1.00 5.21 H new ATOM 0 HD2 HIS B 5 28.702 10.549 2.383 1.00 10.25 H new ATOM 0 HE1 HIS B 5 32.036 12.409 4.205 1.00 22.12 H new ATOM 0 HE2 HIS B 5 30.148 12.733 2.518 1.00 72.15 H new ATOM 1138 N HIS B 6 27.230 8.632 7.121 1.00 2.22 N ATOM 1139 CA HIS B 6 25.877 9.110 7.467 1.00 41.52 C ATOM 1140 C HIS B 6 24.912 8.858 6.283 1.00 32.52 C ATOM 1141 O HIS B 6 24.694 9.730 5.432 1.00 62.35 O ATOM 1142 CB HIS B 6 25.886 10.600 7.925 1.00 20.44 C ATOM 1143 CG HIS B 6 24.559 11.153 8.409 1.00 63.03 C ATOM 1144 ND1 HIS B 6 24.246 11.206 9.745 1.00 54.13 N ATOM 1145 CD2 HIS B 6 23.533 11.698 7.703 1.00 63.02 C ATOM 1146 CE1 HIS B 6 23.057 11.780 9.820 1.00 4.12 C ATOM 1147 NE2 HIS B 6 22.591 12.090 8.608 1.00 53.41 N ATOM 0 H HIS B 6 27.556 7.881 7.730 1.00 2.22 H new ATOM 0 HA HIS B 6 25.514 8.541 8.323 1.00 41.52 H new ATOM 0 HB2 HIS B 6 26.617 10.709 8.726 1.00 20.44 H new ATOM 0 HB3 HIS B 6 26.231 11.214 7.093 1.00 20.44 H new ATOM 0 HD2 HIS B 6 23.475 11.801 6.629 1.00 63.02 H new ATOM 0 HE1 HIS B 6 22.531 11.973 10.743 1.00 4.12 H new ATOM 0 HE2 HIS B 6 21.698 12.536 8.398 1.00 53.41 H new ATOM 1155 N HIS B 7 24.417 7.619 6.190 1.00 43.42 N ATOM 1156 CA HIS B 7 23.424 7.233 5.173 1.00 74.33 C ATOM 1157 C HIS B 7 22.005 7.657 5.618 1.00 74.52 C ATOM 1158 O HIS B 7 21.565 7.346 6.734 1.00 71.25 O ATOM 1159 CB HIS B 7 23.496 5.715 4.904 1.00 60.42 C ATOM 1160 CG HIS B 7 24.810 5.264 4.318 1.00 64.41 C ATOM 1161 ND1 HIS B 7 25.891 4.974 5.115 1.00 10.04 N ATOM 1162 CD2 HIS B 7 25.163 5.069 3.019 1.00 61.53 C ATOM 1163 CE1 HIS B 7 26.860 4.610 4.298 1.00 33.42 C ATOM 1164 NE2 HIS B 7 26.467 4.651 3.020 1.00 13.21 N ATOM 0 H HIS B 7 24.689 6.858 6.812 1.00 43.42 H new ATOM 0 HA HIS B 7 23.652 7.751 4.242 1.00 74.33 H new ATOM 0 HB2 HIS B 7 23.323 5.181 5.838 1.00 60.42 H new ATOM 0 HB3 HIS B 7 22.691 5.437 4.224 1.00 60.42 H new ATOM 0 HD2 HIS B 7 24.535 5.216 2.153 1.00 61.53 H new ATOM 0 HE1 HIS B 7 27.848 4.315 4.620 1.00 33.42 H new ATOM 0 HE2 HIS B 7 27.031 4.416 2.203 1.00 13.21 H new ATOM 1172 N HIS B 8 21.283 8.341 4.714 1.00 71.54 N ATOM 1173 CA HIS B 8 19.949 8.935 4.992 1.00 43.12 C ATOM 1174 C HIS B 8 18.808 7.895 4.820 1.00 12.21 C ATOM 1175 O HIS B 8 17.675 8.250 4.475 1.00 65.05 O ATOM 1176 CB HIS B 8 19.734 10.156 4.050 1.00 0.33 C ATOM 1177 CG HIS B 8 20.715 11.294 4.252 1.00 64.11 C ATOM 1178 ND1 HIS B 8 20.289 12.591 4.415 1.00 14.31 N ATOM 1179 CD2 HIS B 8 22.076 11.285 4.268 1.00 4.02 C ATOM 1180 CE1 HIS B 8 21.383 13.324 4.524 1.00 41.23 C ATOM 1181 NE2 HIS B 8 22.484 12.578 4.440 1.00 73.44 N ATOM 0 H HIS B 8 21.605 8.503 3.760 1.00 71.54 H new ATOM 0 HA HIS B 8 19.920 9.263 6.031 1.00 43.12 H new ATOM 0 HB2 HIS B 8 19.801 9.816 3.016 1.00 0.33 H new ATOM 0 HB3 HIS B 8 18.723 10.536 4.196 1.00 0.33 H new ATOM 0 HD2 HIS B 8 22.713 10.419 4.164 1.00 4.02 H new ATOM 0 HE1 HIS B 8 21.385 14.395 4.664 1.00 41.23 H new ATOM 0 HE2 HIS B 8 23.447 12.909 4.494 1.00 73.44 H new ATOM 1189 N SER B 9 19.109 6.615 5.120 1.00 12.13 N ATOM 1190 CA SER B 9 18.167 5.481 4.974 1.00 54.11 C ATOM 1191 C SER B 9 17.293 5.307 6.238 1.00 25.02 C ATOM 1192 O SER B 9 17.214 4.214 6.807 1.00 41.32 O ATOM 1193 CB SER B 9 18.974 4.189 4.654 1.00 61.21 C ATOM 1194 OG SER B 9 19.751 4.342 3.473 1.00 32.11 O ATOM 0 H SER B 9 20.023 6.334 5.475 1.00 12.13 H new ATOM 0 HA SER B 9 17.484 5.686 4.150 1.00 54.11 H new ATOM 0 HB2 SER B 9 19.627 3.949 5.493 1.00 61.21 H new ATOM 0 HB3 SER B 9 18.288 3.350 4.534 1.00 61.21 H new ATOM 0 HG SER B 9 20.248 3.515 3.299 1.00 32.11 H new ATOM 1200 N HIS B 10 16.637 6.406 6.663 1.00 51.02 N ATOM 1201 CA HIS B 10 15.675 6.403 7.792 1.00 50.33 C ATOM 1202 C HIS B 10 14.442 5.497 7.465 1.00 51.33 C ATOM 1203 O HIS B 10 13.477 5.931 6.837 1.00 30.21 O ATOM 1204 CB HIS B 10 15.270 7.871 8.158 1.00 54.01 C ATOM 1205 CG HIS B 10 14.919 8.750 6.976 1.00 4.42 C ATOM 1206 ND1 HIS B 10 15.846 9.553 6.343 1.00 3.11 N ATOM 1207 CD2 HIS B 10 13.759 8.930 6.297 1.00 44.41 C ATOM 1208 CE1 HIS B 10 15.278 10.171 5.333 1.00 44.20 C ATOM 1209 NE2 HIS B 10 14.015 9.812 5.282 1.00 31.13 N ATOM 0 H HIS B 10 16.757 7.324 6.234 1.00 51.02 H new ATOM 0 HA HIS B 10 16.151 5.972 8.673 1.00 50.33 H new ATOM 0 HB2 HIS B 10 14.416 7.839 8.834 1.00 54.01 H new ATOM 0 HB3 HIS B 10 16.092 8.333 8.705 1.00 54.01 H new ATOM 0 HD1 HIS B 10 16.823 9.651 6.618 1.00 3.11 H new ATOM 0 HD2 HIS B 10 12.810 8.464 6.516 1.00 44.41 H new ATOM 0 HE1 HIS B 10 15.767 10.858 4.658 1.00 44.20 H new ATOM 1218 N MET B 11 14.534 4.220 7.884 1.00 14.03 N ATOM 1219 CA MET B 11 13.593 3.139 7.481 1.00 64.34 C ATOM 1220 C MET B 11 12.152 3.369 8.009 1.00 74.04 C ATOM 1221 O MET B 11 11.181 3.324 7.242 1.00 12.21 O ATOM 1222 CB MET B 11 14.142 1.773 7.981 1.00 11.35 C ATOM 1223 CG MET B 11 15.561 1.450 7.480 1.00 42.33 C ATOM 1224 SD MET B 11 16.245 -0.064 8.193 1.00 61.33 S ATOM 1225 CE MET B 11 17.916 -0.067 7.524 1.00 73.15 C ATOM 0 H MET B 11 15.267 3.900 8.517 1.00 14.03 H new ATOM 0 HA MET B 11 13.527 3.144 6.393 1.00 64.34 H new ATOM 0 HB2 MET B 11 14.143 1.770 9.071 1.00 11.35 H new ATOM 0 HB3 MET B 11 13.465 0.981 7.660 1.00 11.35 H new ATOM 0 HG2 MET B 11 15.543 1.356 6.394 1.00 42.33 H new ATOM 0 HG3 MET B 11 16.221 2.285 7.716 1.00 42.33 H new ATOM 0 HE1 MET B 11 18.450 -0.947 7.883 1.00 73.15 H new ATOM 0 HE2 MET B 11 17.872 -0.089 6.435 1.00 73.15 H new ATOM 0 HE3 MET B 11 18.439 0.833 7.848 1.00 73.15 H new ATOM 1235 N GLY B 12 12.035 3.604 9.323 1.00 30.11 N ATOM 1236 CA GLY B 12 10.736 3.822 9.978 1.00 35.13 C ATOM 1237 C GLY B 12 10.877 4.158 11.461 1.00 2.40 C ATOM 1238 O GLY B 12 11.998 4.267 11.969 1.00 64.54 O ATOM 0 H GLY B 12 12.831 3.648 9.959 1.00 30.11 H new ATOM 0 HA2 GLY B 12 10.210 4.633 9.474 1.00 35.13 H new ATOM 0 HA3 GLY B 12 10.123 2.927 9.868 1.00 35.13 H new ATOM 1242 N GLY B 13 9.738 4.315 12.159 1.00 71.51 N ATOM 1243 CA GLY B 13 9.733 4.753 13.564 1.00 71.43 C ATOM 1244 C GLY B 13 9.805 6.280 13.697 1.00 41.55 C ATOM 1245 O GLY B 13 10.726 6.826 14.314 1.00 70.22 O ATOM 0 H GLY B 13 8.810 4.145 11.772 1.00 71.51 H new ATOM 0 HA2 GLY B 13 8.829 4.390 14.052 1.00 71.43 H new ATOM 0 HA3 GLY B 13 10.579 4.305 14.085 1.00 71.43 H new ATOM 1249 N GLY B 14 8.817 6.964 13.097 1.00 12.24 N ATOM 1250 CA GLY B 14 8.744 8.434 13.102 1.00 1.20 C ATOM 1251 C GLY B 14 7.307 8.939 13.184 1.00 63.20 C ATOM 1252 O GLY B 14 6.686 9.262 12.164 1.00 51.13 O ATOM 0 H GLY B 14 8.049 6.516 12.597 1.00 12.24 H new ATOM 0 HA2 GLY B 14 9.312 8.821 13.948 1.00 1.20 H new ATOM 0 HA3 GLY B 14 9.213 8.822 12.198 1.00 1.20 H new ATOM 1256 N LYS B 15 6.778 8.984 14.419 1.00 32.01 N ATOM 1257 CA LYS B 15 5.368 9.357 14.703 1.00 22.13 C ATOM 1258 C LYS B 15 5.307 10.567 15.672 1.00 2.21 C ATOM 1259 O LYS B 15 6.337 11.024 16.171 1.00 62.01 O ATOM 1260 CB LYS B 15 4.627 8.131 15.306 1.00 44.03 C ATOM 1261 CG LYS B 15 4.753 6.837 14.471 1.00 1.33 C ATOM 1262 CD LYS B 15 4.160 5.593 15.171 1.00 55.54 C ATOM 1263 CE LYS B 15 4.491 4.297 14.413 1.00 70.42 C ATOM 1264 NZ LYS B 15 3.898 3.099 15.054 1.00 74.13 N ATOM 0 H LYS B 15 7.314 8.762 15.258 1.00 32.01 H new ATOM 0 HA LYS B 15 4.879 9.651 13.774 1.00 22.13 H new ATOM 0 HB2 LYS B 15 5.016 7.943 16.307 1.00 44.03 H new ATOM 0 HB3 LYS B 15 3.571 8.377 15.415 1.00 44.03 H new ATOM 0 HG2 LYS B 15 4.250 6.980 13.515 1.00 1.33 H new ATOM 0 HG3 LYS B 15 5.805 6.655 14.254 1.00 1.33 H new ATOM 0 HD2 LYS B 15 4.548 5.529 16.187 1.00 55.54 H new ATOM 0 HD3 LYS B 15 3.078 5.702 15.250 1.00 55.54 H new ATOM 0 HE2 LYS B 15 4.126 4.375 13.389 1.00 70.42 H new ATOM 0 HE3 LYS B 15 5.573 4.178 14.358 1.00 70.42 H new ATOM 0 HZ1 LYS B 15 4.150 2.252 14.506 1.00 74.13 H new ATOM 0 HZ2 LYS B 15 4.265 3.006 16.023 1.00 74.13 H new ATOM 0 HZ3 LYS B 15 2.863 3.197 15.084 1.00 74.13 H new ATOM 1278 N GLY B 16 4.089 11.065 15.936 1.00 40.12 N ATOM 1279 CA GLY B 16 3.881 12.218 16.829 1.00 0.54 C ATOM 1280 C GLY B 16 2.426 12.338 17.280 1.00 31.01 C ATOM 1281 O GLY B 16 1.743 11.313 17.369 1.00 4.11 O ATOM 0 H GLY B 16 3.228 10.685 15.542 1.00 40.12 H new ATOM 0 HA2 GLY B 16 4.525 12.120 17.703 1.00 0.54 H new ATOM 0 HA3 GLY B 16 4.178 13.132 16.315 1.00 0.54 H new ATOM 1285 N PRO B 17 1.910 13.573 17.595 1.00 60.33 N ATOM 1286 CA PRO B 17 0.475 13.779 17.931 1.00 44.32 C ATOM 1287 C PRO B 17 -0.444 13.417 16.732 1.00 41.33 C ATOM 1288 O PRO B 17 -0.428 14.101 15.699 1.00 74.31 O ATOM 1289 CB PRO B 17 0.399 15.290 18.300 1.00 31.33 C ATOM 1290 CG PRO B 17 1.588 15.908 17.624 1.00 24.24 C ATOM 1291 CD PRO B 17 2.676 14.851 17.655 1.00 52.31 C ATOM 0 HA PRO B 17 0.129 13.140 18.743 1.00 44.32 H new ATOM 0 HB2 PRO B 17 -0.532 15.737 17.950 1.00 31.33 H new ATOM 0 HB3 PRO B 17 0.437 15.436 19.379 1.00 31.33 H new ATOM 0 HG2 PRO B 17 1.350 16.195 16.600 1.00 24.24 H new ATOM 0 HG3 PRO B 17 1.906 16.812 18.142 1.00 24.24 H new ATOM 0 HD2 PRO B 17 3.359 14.951 16.812 1.00 52.31 H new ATOM 0 HD3 PRO B 17 3.277 14.918 18.562 1.00 52.31 H new ATOM 1299 N ALA B 18 -1.209 12.306 16.879 1.00 24.24 N ATOM 1300 CA ALA B 18 -2.037 11.727 15.790 1.00 23.32 C ATOM 1301 C ALA B 18 -3.146 12.699 15.311 1.00 51.13 C ATOM 1302 O ALA B 18 -4.258 12.725 15.855 1.00 64.53 O ATOM 1303 CB ALA B 18 -2.631 10.375 16.233 1.00 34.23 C ATOM 0 H ALA B 18 -1.269 11.787 17.755 1.00 24.24 H new ATOM 0 HA ALA B 18 -1.384 11.559 14.934 1.00 23.32 H new ATOM 0 HB1 ALA B 18 -3.236 9.961 15.426 1.00 34.23 H new ATOM 0 HB2 ALA B 18 -1.823 9.684 16.472 1.00 34.23 H new ATOM 0 HB3 ALA B 18 -3.255 10.523 17.114 1.00 34.23 H new ATOM 1309 N ALA B 19 -2.800 13.524 14.312 1.00 4.24 N ATOM 1310 CA ALA B 19 -3.705 14.535 13.734 1.00 74.34 C ATOM 1311 C ALA B 19 -4.534 13.955 12.568 1.00 61.14 C ATOM 1312 O ALA B 19 -4.203 12.896 12.022 1.00 62.53 O ATOM 1313 CB ALA B 19 -2.883 15.749 13.271 1.00 3.03 C ATOM 0 H ALA B 19 -1.877 13.510 13.877 1.00 4.24 H new ATOM 0 HA ALA B 19 -4.412 14.849 14.502 1.00 74.34 H new ATOM 0 HB1 ALA B 19 -3.549 16.498 12.843 1.00 3.03 H new ATOM 0 HB2 ALA B 19 -2.355 16.177 14.123 1.00 3.03 H new ATOM 0 HB3 ALA B 19 -2.161 15.434 12.518 1.00 3.03 H new ATOM 1319 N GLU B 20 -5.600 14.668 12.188 1.00 2.31 N ATOM 1320 CA GLU B 20 -6.523 14.234 11.117 1.00 33.40 C ATOM 1321 C GLU B 20 -7.086 15.449 10.349 1.00 43.43 C ATOM 1322 O GLU B 20 -7.390 16.489 10.943 1.00 44.44 O ATOM 1323 CB GLU B 20 -7.679 13.381 11.723 1.00 34.42 C ATOM 1324 CG GLU B 20 -8.425 14.053 12.901 1.00 21.03 C ATOM 1325 CD GLU B 20 -9.597 13.225 13.453 1.00 44.13 C ATOM 1326 OE1 GLU B 20 -9.371 12.084 13.912 1.00 42.45 O ATOM 1327 OE2 GLU B 20 -10.750 13.710 13.441 1.00 2.41 O ATOM 0 H GLU B 20 -5.853 15.562 12.609 1.00 2.31 H new ATOM 0 HA GLU B 20 -5.968 13.620 10.408 1.00 33.40 H new ATOM 0 HB2 GLU B 20 -8.398 13.156 10.936 1.00 34.42 H new ATOM 0 HB3 GLU B 20 -7.271 12.429 12.064 1.00 34.42 H new ATOM 0 HG2 GLU B 20 -7.715 14.241 13.707 1.00 21.03 H new ATOM 0 HG3 GLU B 20 -8.801 15.022 12.574 1.00 21.03 H new ATOM 1334 N GLU B 21 -7.181 15.315 9.017 1.00 3.02 N ATOM 1335 CA GLU B 21 -7.850 16.306 8.145 1.00 33.55 C ATOM 1336 C GLU B 21 -9.394 16.108 8.197 1.00 71.43 C ATOM 1337 O GLU B 21 -9.871 14.966 8.274 1.00 5.52 O ATOM 1338 CB GLU B 21 -7.279 16.189 6.703 1.00 12.32 C ATOM 1339 CG GLU B 21 -7.370 14.779 6.078 1.00 35.02 C ATOM 1340 CD GLU B 21 -6.499 14.627 4.820 1.00 2.11 C ATOM 1341 OE1 GLU B 21 -6.964 14.969 3.712 1.00 44.43 O ATOM 1342 OE2 GLU B 21 -5.339 14.174 4.939 1.00 11.13 O ATOM 0 H GLU B 21 -6.797 14.518 8.509 1.00 3.02 H new ATOM 0 HA GLU B 21 -7.650 17.318 8.498 1.00 33.55 H new ATOM 0 HB2 GLU B 21 -7.811 16.890 6.060 1.00 12.32 H new ATOM 0 HB3 GLU B 21 -6.234 16.498 6.716 1.00 12.32 H new ATOM 0 HG2 GLU B 21 -7.065 14.039 6.817 1.00 35.02 H new ATOM 0 HG3 GLU B 21 -8.408 14.566 5.823 1.00 35.02 H new ATOM 1349 N PRO B 22 -10.203 17.217 8.169 1.00 34.50 N ATOM 1350 CA PRO B 22 -11.672 17.160 8.445 1.00 73.21 C ATOM 1351 C PRO B 22 -12.555 16.584 7.306 1.00 65.20 C ATOM 1352 O PRO B 22 -13.787 16.644 7.404 1.00 51.03 O ATOM 1353 CB PRO B 22 -12.004 18.639 8.759 1.00 14.12 C ATOM 1354 CG PRO B 22 -11.042 19.423 7.917 1.00 61.23 C ATOM 1355 CD PRO B 22 -9.757 18.615 7.888 1.00 23.21 C ATOM 0 HA PRO B 22 -11.896 16.460 9.250 1.00 73.21 H new ATOM 0 HB2 PRO B 22 -13.038 18.876 8.507 1.00 14.12 H new ATOM 0 HB3 PRO B 22 -11.875 18.859 9.819 1.00 14.12 H new ATOM 0 HG2 PRO B 22 -11.434 19.569 6.910 1.00 61.23 H new ATOM 0 HG3 PRO B 22 -10.871 20.413 8.339 1.00 61.23 H new ATOM 0 HD2 PRO B 22 -9.261 18.689 6.920 1.00 23.21 H new ATOM 0 HD3 PRO B 22 -9.048 18.966 8.638 1.00 23.21 H new ATOM 1363 N LEU B 23 -11.906 16.013 6.269 1.00 22.24 N ATOM 1364 CA LEU B 23 -12.551 15.314 5.124 1.00 3.25 C ATOM 1365 C LEU B 23 -13.608 16.176 4.377 1.00 20.55 C ATOM 1366 O LEU B 23 -14.759 16.300 4.815 1.00 35.14 O ATOM 1367 CB LEU B 23 -13.147 13.946 5.573 1.00 41.52 C ATOM 1368 CG LEU B 23 -12.127 12.906 6.152 1.00 23.23 C ATOM 1369 CD1 LEU B 23 -12.833 11.587 6.553 1.00 10.42 C ATOM 1370 CD2 LEU B 23 -10.971 12.641 5.156 1.00 22.43 C ATOM 0 H LEU B 23 -10.889 16.023 6.198 1.00 22.24 H new ATOM 0 HA LEU B 23 -11.759 15.130 4.398 1.00 3.25 H new ATOM 0 HB2 LEU B 23 -13.910 14.135 6.328 1.00 41.52 H new ATOM 0 HB3 LEU B 23 -13.650 13.494 4.718 1.00 41.52 H new ATOM 0 HG LEU B 23 -11.695 13.337 7.055 1.00 23.23 H new ATOM 0 HD11 LEU B 23 -12.098 10.887 6.951 1.00 10.42 H new ATOM 0 HD12 LEU B 23 -13.586 11.794 7.314 1.00 10.42 H new ATOM 0 HD13 LEU B 23 -13.313 11.150 5.677 1.00 10.42 H new ATOM 0 HD21 LEU B 23 -10.280 11.916 5.585 1.00 22.43 H new ATOM 0 HD22 LEU B 23 -11.377 12.248 4.224 1.00 22.43 H new ATOM 0 HD23 LEU B 23 -10.442 13.573 4.957 1.00 22.43 H new ATOM 1382 N SER B 24 -13.205 16.762 3.239 1.00 22.22 N ATOM 1383 CA SER B 24 -14.106 17.571 2.374 1.00 21.22 C ATOM 1384 C SER B 24 -13.948 17.137 0.909 1.00 3.31 C ATOM 1385 O SER B 24 -12.822 16.871 0.472 1.00 21.44 O ATOM 1386 CB SER B 24 -13.807 19.085 2.520 1.00 71.30 C ATOM 1387 OG SER B 24 -12.465 19.401 2.171 1.00 75.44 O ATOM 0 H SER B 24 -12.251 16.694 2.885 1.00 22.22 H new ATOM 0 HA SER B 24 -15.134 17.399 2.692 1.00 21.22 H new ATOM 0 HB2 SER B 24 -14.489 19.652 1.886 1.00 71.30 H new ATOM 0 HB3 SER B 24 -13.996 19.394 3.548 1.00 71.30 H new ATOM 0 HG SER B 24 -12.318 20.364 2.275 1.00 75.44 H new ATOM 1393 N LEU B 25 -15.079 17.104 0.155 1.00 12.32 N ATOM 1394 CA LEU B 25 -15.161 16.458 -1.189 1.00 23.50 C ATOM 1395 C LEU B 25 -14.858 14.934 -1.063 1.00 22.14 C ATOM 1396 O LEU B 25 -14.942 14.368 0.036 1.00 21.14 O ATOM 1397 CB LEU B 25 -14.221 17.144 -2.252 1.00 14.35 C ATOM 1398 CG LEU B 25 -14.593 18.592 -2.727 1.00 42.24 C ATOM 1399 CD1 LEU B 25 -14.457 19.646 -1.601 1.00 65.31 C ATOM 1400 CD2 LEU B 25 -13.743 19.002 -3.953 1.00 43.52 C ATOM 0 H LEU B 25 -15.959 17.522 0.458 1.00 12.32 H new ATOM 0 HA LEU B 25 -16.178 16.590 -1.557 1.00 23.50 H new ATOM 0 HB2 LEU B 25 -13.213 17.175 -1.838 1.00 14.35 H new ATOM 0 HB3 LEU B 25 -14.184 16.501 -3.132 1.00 14.35 H new ATOM 0 HG LEU B 25 -15.645 18.565 -3.013 1.00 42.24 H new ATOM 0 HD11 LEU B 25 -14.727 20.629 -1.988 1.00 65.31 H new ATOM 0 HD12 LEU B 25 -15.121 19.385 -0.777 1.00 65.31 H new ATOM 0 HD13 LEU B 25 -13.427 19.667 -1.245 1.00 65.31 H new ATOM 0 HD21 LEU B 25 -14.018 20.009 -4.266 1.00 43.52 H new ATOM 0 HD22 LEU B 25 -12.686 18.980 -3.687 1.00 43.52 H new ATOM 0 HD23 LEU B 25 -13.926 18.306 -4.772 1.00 43.52 H new ATOM 1412 N LEU B 26 -14.552 14.257 -2.185 1.00 23.24 N ATOM 1413 CA LEU B 26 -14.108 12.847 -2.150 1.00 32.31 C ATOM 1414 C LEU B 26 -12.574 12.765 -2.073 1.00 51.14 C ATOM 1415 O LEU B 26 -11.875 12.879 -3.087 1.00 75.00 O ATOM 1416 CB LEU B 26 -14.647 12.035 -3.349 1.00 51.23 C ATOM 1417 CG LEU B 26 -16.187 11.737 -3.312 1.00 75.14 C ATOM 1418 CD1 LEU B 26 -17.029 12.937 -3.813 1.00 31.43 C ATOM 1419 CD2 LEU B 26 -16.513 10.442 -4.073 1.00 63.44 C ATOM 0 H LEU B 26 -14.603 14.658 -3.122 1.00 23.24 H new ATOM 0 HA LEU B 26 -14.526 12.397 -1.250 1.00 32.31 H new ATOM 0 HB2 LEU B 26 -14.419 12.577 -4.267 1.00 51.23 H new ATOM 0 HB3 LEU B 26 -14.110 11.088 -3.397 1.00 51.23 H new ATOM 0 HG LEU B 26 -16.467 11.586 -2.269 1.00 75.14 H new ATOM 0 HD11 LEU B 26 -18.088 12.682 -3.769 1.00 31.43 H new ATOM 0 HD12 LEU B 26 -16.838 13.805 -3.182 1.00 31.43 H new ATOM 0 HD13 LEU B 26 -16.755 13.170 -4.842 1.00 31.43 H new ATOM 0 HD21 LEU B 26 -17.586 10.257 -4.033 1.00 63.44 H new ATOM 0 HD22 LEU B 26 -16.200 10.542 -5.112 1.00 63.44 H new ATOM 0 HD23 LEU B 26 -15.984 9.607 -3.614 1.00 63.44 H new ATOM 1431 N ASP B 27 -12.068 12.603 -0.842 1.00 24.21 N ATOM 1432 CA ASP B 27 -10.635 12.404 -0.567 1.00 24.14 C ATOM 1433 C ASP B 27 -10.200 10.995 -1.027 1.00 25.24 C ATOM 1434 O ASP B 27 -10.197 10.055 -0.236 1.00 63.33 O ATOM 1435 CB ASP B 27 -10.352 12.619 0.941 1.00 65.14 C ATOM 1436 CG ASP B 27 -10.718 14.033 1.416 1.00 50.35 C ATOM 1437 OD1 ASP B 27 -9.887 14.950 1.250 1.00 73.54 O ATOM 1438 OD2 ASP B 27 -11.836 14.239 1.932 1.00 71.30 O ATOM 0 H ASP B 27 -12.645 12.606 -0.001 1.00 24.21 H new ATOM 0 HA ASP B 27 -10.052 13.135 -1.127 1.00 24.14 H new ATOM 0 HB2 ASP B 27 -10.916 11.888 1.520 1.00 65.14 H new ATOM 0 HB3 ASP B 27 -9.296 12.436 1.138 1.00 65.14 H new ATOM 1443 N ASP B 28 -9.876 10.858 -2.332 1.00 65.51 N ATOM 1444 CA ASP B 28 -9.535 9.560 -2.950 1.00 34.24 C ATOM 1445 C ASP B 28 -8.187 9.007 -2.423 1.00 40.42 C ATOM 1446 O ASP B 28 -7.968 7.798 -2.427 1.00 73.32 O ATOM 1447 CB ASP B 28 -9.539 9.685 -4.494 1.00 33.12 C ATOM 1448 CG ASP B 28 -9.589 8.311 -5.185 1.00 74.14 C ATOM 1449 OD1 ASP B 28 -10.672 7.687 -5.194 1.00 24.45 O ATOM 1450 OD2 ASP B 28 -8.556 7.838 -5.703 1.00 72.00 O ATOM 0 H ASP B 28 -9.844 11.642 -2.983 1.00 65.51 H new ATOM 0 HA ASP B 28 -10.299 8.837 -2.664 1.00 34.24 H new ATOM 0 HB2 ASP B 28 -10.397 10.279 -4.807 1.00 33.12 H new ATOM 0 HB3 ASP B 28 -8.646 10.220 -4.816 1.00 33.12 H new ATOM 1455 N MET B 29 -7.303 9.914 -1.973 1.00 3.40 N ATOM 1456 CA MET B 29 -6.090 9.568 -1.187 1.00 73.30 C ATOM 1457 C MET B 29 -6.463 8.709 0.050 1.00 31.14 C ATOM 1458 O MET B 29 -5.964 7.595 0.239 1.00 13.10 O ATOM 1459 CB MET B 29 -5.403 10.889 -0.724 1.00 72.33 C ATOM 1460 CG MET B 29 -4.167 10.742 0.208 1.00 11.22 C ATOM 1461 SD MET B 29 -2.582 10.815 -0.661 1.00 53.23 S ATOM 1462 CE MET B 29 -2.551 9.272 -1.554 1.00 54.12 C ATOM 0 H MET B 29 -7.404 10.915 -2.141 1.00 3.40 H new ATOM 0 HA MET B 29 -5.410 8.987 -1.811 1.00 73.30 H new ATOM 0 HB2 MET B 29 -5.096 11.443 -1.611 1.00 72.33 H new ATOM 0 HB3 MET B 29 -6.147 11.498 -0.210 1.00 72.33 H new ATOM 0 HG2 MET B 29 -4.195 11.531 0.960 1.00 11.22 H new ATOM 0 HG3 MET B 29 -4.236 9.793 0.739 1.00 11.22 H new ATOM 0 HE1 MET B 29 -1.699 9.262 -2.233 1.00 54.12 H new ATOM 0 HE2 MET B 29 -2.463 8.445 -0.849 1.00 54.12 H new ATOM 0 HE3 MET B 29 -3.472 9.164 -2.126 1.00 54.12 H new ATOM 1472 N ASN B 30 -7.397 9.250 0.841 1.00 33.35 N ATOM 1473 CA ASN B 30 -7.872 8.649 2.101 1.00 63.10 C ATOM 1474 C ASN B 30 -8.832 7.460 1.850 1.00 65.24 C ATOM 1475 O ASN B 30 -8.938 6.560 2.683 1.00 62.15 O ATOM 1476 CB ASN B 30 -8.539 9.754 2.955 1.00 2.42 C ATOM 1477 CG ASN B 30 -7.556 10.882 3.307 1.00 23.13 C ATOM 1478 OD1 ASN B 30 -6.356 10.664 3.475 1.00 44.12 O ATOM 1479 ND2 ASN B 30 -8.049 12.096 3.403 1.00 5.52 N ATOM 0 H ASN B 30 -7.855 10.135 0.622 1.00 33.35 H new ATOM 0 HA ASN B 30 -7.021 8.236 2.643 1.00 63.10 H new ATOM 0 HB2 ASN B 30 -9.388 10.169 2.412 1.00 2.42 H new ATOM 0 HB3 ASN B 30 -8.931 9.316 3.873 1.00 2.42 H new ATOM 0 HD21 ASN B 30 -7.434 12.880 3.621 1.00 5.52 H new ATOM 0 HD22 ASN B 30 -9.046 12.254 3.260 1.00 5.52 H new ATOM 1486 N HIS B 31 -9.522 7.474 0.693 1.00 44.02 N ATOM 1487 CA HIS B 31 -10.412 6.375 0.255 1.00 15.11 C ATOM 1488 C HIS B 31 -9.568 5.134 -0.133 1.00 60.15 C ATOM 1489 O HIS B 31 -9.936 3.996 0.168 1.00 10.35 O ATOM 1490 CB HIS B 31 -11.287 6.841 -0.938 1.00 24.02 C ATOM 1491 CG HIS B 31 -12.411 5.897 -1.307 1.00 31.40 C ATOM 1492 ND1 HIS B 31 -12.170 4.692 -1.923 1.00 20.01 N ATOM 1493 CD2 HIS B 31 -13.751 6.021 -1.111 1.00 32.51 C ATOM 1494 CE1 HIS B 31 -13.346 4.119 -2.085 1.00 12.45 C ATOM 1495 NE2 HIS B 31 -14.335 4.883 -1.608 1.00 42.44 N ATOM 0 H HIS B 31 -9.479 8.250 0.032 1.00 44.02 H new ATOM 0 HA HIS B 31 -11.073 6.100 1.077 1.00 15.11 H new ATOM 0 HB2 HIS B 31 -11.713 7.815 -0.699 1.00 24.02 H new ATOM 0 HB3 HIS B 31 -10.646 6.978 -1.809 1.00 24.02 H new ATOM 0 HD2 HIS B 31 -14.259 6.856 -0.652 1.00 32.51 H new ATOM 0 HE1 HIS B 31 -13.493 3.153 -2.545 1.00 12.45 H new ATOM 0 HE2 HIS B 31 -15.331 4.662 -1.613 1.00 42.44 H new ATOM 1503 N CYS B 32 -8.425 5.387 -0.807 1.00 63.43 N ATOM 1504 CA CYS B 32 -7.422 4.350 -1.128 1.00 35.31 C ATOM 1505 C CYS B 32 -6.775 3.774 0.158 1.00 2.41 C ATOM 1506 O CYS B 32 -6.505 2.574 0.229 1.00 75.54 O ATOM 1507 CB CYS B 32 -6.338 4.903 -2.087 1.00 15.32 C ATOM 1508 SG CYS B 32 -6.901 5.190 -3.786 1.00 33.22 S ATOM 0 H CYS B 32 -8.172 6.316 -1.144 1.00 63.43 H new ATOM 0 HA CYS B 32 -7.941 3.536 -1.634 1.00 35.31 H new ATOM 0 HB2 CYS B 32 -5.959 5.841 -1.682 1.00 15.32 H new ATOM 0 HB3 CYS B 32 -5.502 4.204 -2.109 1.00 15.32 H new ATOM 0 HG CYS B 32 -7.518 6.333 -3.852 1.00 33.22 H new ATOM 1514 N TYR B 33 -6.543 4.644 1.168 1.00 10.54 N ATOM 1515 CA TYR B 33 -6.105 4.216 2.526 1.00 42.32 C ATOM 1516 C TYR B 33 -7.163 3.320 3.218 1.00 13.30 C ATOM 1517 O TYR B 33 -6.811 2.378 3.936 1.00 31.30 O ATOM 1518 CB TYR B 33 -5.790 5.444 3.428 1.00 24.41 C ATOM 1519 CG TYR B 33 -4.440 6.127 3.150 1.00 13.10 C ATOM 1520 CD1 TYR B 33 -3.270 5.372 3.105 1.00 21.10 C ATOM 1521 CD2 TYR B 33 -4.327 7.511 2.980 1.00 4.01 C ATOM 1522 CE1 TYR B 33 -2.045 5.962 2.898 1.00 0.31 C ATOM 1523 CE2 TYR B 33 -3.098 8.107 2.760 1.00 10.20 C ATOM 1524 CZ TYR B 33 -1.961 7.329 2.724 1.00 70.11 C ATOM 1525 OH TYR B 33 -0.736 7.923 2.523 1.00 74.24 O ATOM 0 H TYR B 33 -6.651 5.654 1.071 1.00 10.54 H new ATOM 0 HA TYR B 33 -5.195 3.631 2.391 1.00 42.32 H new ATOM 0 HB2 TYR B 33 -6.584 6.180 3.304 1.00 24.41 H new ATOM 0 HB3 TYR B 33 -5.811 5.125 4.470 1.00 24.41 H new ATOM 0 HD1 TYR B 33 -3.326 4.301 3.235 1.00 21.10 H new ATOM 0 HD2 TYR B 33 -5.215 8.125 3.021 1.00 4.01 H new ATOM 0 HE1 TYR B 33 -1.151 5.357 2.872 1.00 0.31 H new ATOM 0 HE2 TYR B 33 -3.030 9.175 2.617 1.00 10.20 H new ATOM 0 HH TYR B 33 -0.529 7.930 1.565 1.00 74.24 H new ATOM 1535 N SER B 34 -8.454 3.635 3.003 1.00 35.03 N ATOM 1536 CA SER B 34 -9.585 2.831 3.530 1.00 14.41 C ATOM 1537 C SER B 34 -9.658 1.449 2.836 1.00 14.35 C ATOM 1538 O SER B 34 -10.024 0.456 3.461 1.00 14.21 O ATOM 1539 CB SER B 34 -10.920 3.594 3.357 1.00 50.55 C ATOM 1540 OG SER B 34 -10.917 4.813 4.085 1.00 4.43 O ATOM 0 H SER B 34 -8.747 4.449 2.462 1.00 35.03 H new ATOM 0 HA SER B 34 -9.413 2.666 4.594 1.00 14.41 H new ATOM 0 HB2 SER B 34 -11.089 3.800 2.300 1.00 50.55 H new ATOM 0 HB3 SER B 34 -11.745 2.968 3.696 1.00 50.55 H new ATOM 0 HG SER B 34 -10.293 5.443 3.666 1.00 4.43 H new ATOM 1546 N ARG B 35 -9.291 1.412 1.540 1.00 55.23 N ATOM 1547 CA ARG B 35 -9.222 0.164 0.737 1.00 62.02 C ATOM 1548 C ARG B 35 -8.017 -0.725 1.126 1.00 54.01 C ATOM 1549 O ARG B 35 -8.089 -1.954 1.044 1.00 62.13 O ATOM 1550 CB ARG B 35 -9.201 0.513 -0.750 1.00 54.20 C ATOM 1551 CG ARG B 35 -10.590 0.937 -1.248 1.00 24.23 C ATOM 1552 CD ARG B 35 -10.538 1.621 -2.594 1.00 3.45 C ATOM 1553 NE ARG B 35 -9.993 0.766 -3.672 1.00 4.53 N ATOM 1554 CZ ARG B 35 -9.456 1.207 -4.794 1.00 61.02 C ATOM 1555 NH1 ARG B 35 -9.258 2.470 -5.000 1.00 21.34 N ATOM 1556 NH2 ARG B 35 -9.084 0.367 -5.699 1.00 11.41 N ATOM 0 H ARG B 35 -9.032 2.247 1.014 1.00 55.23 H new ATOM 0 HA ARG B 35 -10.113 -0.426 0.954 1.00 62.02 H new ATOM 0 HB2 ARG B 35 -8.489 1.319 -0.926 1.00 54.20 H new ATOM 0 HB3 ARG B 35 -8.855 -0.348 -1.322 1.00 54.20 H new ATOM 0 HG2 ARG B 35 -11.232 0.059 -1.315 1.00 24.23 H new ATOM 0 HG3 ARG B 35 -11.044 1.609 -0.520 1.00 24.23 H new ATOM 0 HD2 ARG B 35 -11.543 1.941 -2.869 1.00 3.45 H new ATOM 0 HD3 ARG B 35 -9.928 2.521 -2.512 1.00 3.45 H new ATOM 0 HE ARG B 35 -10.036 -0.244 -3.537 1.00 4.53 H new ATOM 0 HH11 ARG B 35 -9.519 3.150 -4.286 1.00 21.34 H new ATOM 0 HH12 ARG B 35 -8.841 2.785 -5.876 1.00 21.34 H new ATOM 0 HH21 ARG B 35 -9.205 -0.634 -5.546 1.00 11.41 H new ATOM 0 HH22 ARG B 35 -8.669 0.704 -6.568 1.00 11.41 H new ATOM 1570 N LEU B 36 -6.907 -0.080 1.534 1.00 31.04 N ATOM 1571 CA LEU B 36 -5.757 -0.772 2.150 1.00 1.34 C ATOM 1572 C LEU B 36 -6.181 -1.396 3.498 1.00 3.45 C ATOM 1573 O LEU B 36 -5.915 -2.559 3.758 1.00 32.45 O ATOM 1574 CB LEU B 36 -4.571 0.207 2.345 1.00 45.11 C ATOM 1575 CG LEU B 36 -3.916 0.753 1.033 1.00 62.02 C ATOM 1576 CD1 LEU B 36 -2.856 1.830 1.338 1.00 15.31 C ATOM 1577 CD2 LEU B 36 -3.314 -0.397 0.182 1.00 43.14 C ATOM 0 H LEU B 36 -6.782 0.929 1.447 1.00 31.04 H new ATOM 0 HA LEU B 36 -5.427 -1.569 1.484 1.00 1.34 H new ATOM 0 HB2 LEU B 36 -4.918 1.055 2.936 1.00 45.11 H new ATOM 0 HB3 LEU B 36 -3.802 -0.296 2.931 1.00 45.11 H new ATOM 0 HG LEU B 36 -4.705 1.223 0.447 1.00 62.02 H new ATOM 0 HD11 LEU B 36 -2.421 2.187 0.404 1.00 15.31 H new ATOM 0 HD12 LEU B 36 -3.324 2.663 1.863 1.00 15.31 H new ATOM 0 HD13 LEU B 36 -2.072 1.402 1.963 1.00 15.31 H new ATOM 0 HD21 LEU B 36 -2.867 0.015 -0.722 1.00 43.14 H new ATOM 0 HD22 LEU B 36 -2.550 -0.916 0.761 1.00 43.14 H new ATOM 0 HD23 LEU B 36 -4.102 -1.099 -0.091 1.00 43.14 H new ATOM 1589 N ARG B 37 -6.912 -0.608 4.313 1.00 12.35 N ATOM 1590 CA ARG B 37 -7.468 -1.051 5.615 1.00 63.12 C ATOM 1591 C ARG B 37 -8.367 -2.317 5.469 1.00 11.42 C ATOM 1592 O ARG B 37 -8.520 -3.096 6.416 1.00 74.22 O ATOM 1593 CB ARG B 37 -8.288 0.123 6.226 1.00 64.25 C ATOM 1594 CG ARG B 37 -8.769 -0.080 7.680 1.00 61.24 C ATOM 1595 CD ARG B 37 -7.629 0.008 8.715 1.00 41.11 C ATOM 1596 NE ARG B 37 -8.102 -0.217 10.096 1.00 24.51 N ATOM 1597 CZ ARG B 37 -8.637 0.691 10.890 1.00 13.54 C ATOM 1598 NH1 ARG B 37 -8.906 1.896 10.475 1.00 3.20 N ATOM 1599 NH2 ARG B 37 -8.932 0.369 12.105 1.00 63.34 N ATOM 0 H ARG B 37 -7.136 0.361 4.087 1.00 12.35 H new ATOM 0 HA ARG B 37 -6.642 -1.324 6.272 1.00 63.12 H new ATOM 0 HB2 ARG B 37 -7.679 1.026 6.187 1.00 64.25 H new ATOM 0 HB3 ARG B 37 -9.160 0.299 5.596 1.00 64.25 H new ATOM 0 HG2 ARG B 37 -9.523 0.671 7.915 1.00 61.24 H new ATOM 0 HG3 ARG B 37 -9.252 -1.053 7.763 1.00 61.24 H new ATOM 0 HD2 ARG B 37 -6.864 -0.729 8.472 1.00 41.11 H new ATOM 0 HD3 ARG B 37 -7.159 0.989 8.651 1.00 41.11 H new ATOM 0 HE ARG B 37 -8.006 -1.161 10.470 1.00 24.51 H new ATOM 0 HH11 ARG B 37 -8.703 2.161 9.511 1.00 3.20 H new ATOM 0 HH12 ARG B 37 -9.320 2.575 11.114 1.00 3.20 H new ATOM 0 HH21 ARG B 37 -8.751 -0.577 12.440 1.00 63.34 H new ATOM 0 HH22 ARG B 37 -9.346 1.061 12.730 1.00 63.34 H new ATOM 1613 N GLU B 38 -8.935 -2.509 4.263 1.00 62.11 N ATOM 1614 CA GLU B 38 -9.755 -3.697 3.930 1.00 11.13 C ATOM 1615 C GLU B 38 -8.867 -4.945 3.686 1.00 54.21 C ATOM 1616 O GLU B 38 -9.203 -6.056 4.103 1.00 63.14 O ATOM 1617 CB GLU B 38 -10.612 -3.418 2.661 1.00 3.23 C ATOM 1618 CG GLU B 38 -11.627 -2.264 2.786 1.00 20.44 C ATOM 1619 CD GLU B 38 -12.699 -2.500 3.864 1.00 20.40 C ATOM 1620 OE1 GLU B 38 -13.706 -3.175 3.572 1.00 22.54 O ATOM 1621 OE2 GLU B 38 -12.539 -2.022 5.009 1.00 10.43 O ATOM 0 H GLU B 38 -8.841 -1.848 3.492 1.00 62.11 H new ATOM 0 HA GLU B 38 -10.408 -3.897 4.779 1.00 11.13 H new ATOM 0 HB2 GLU B 38 -9.940 -3.199 1.831 1.00 3.23 H new ATOM 0 HB3 GLU B 38 -11.153 -4.328 2.402 1.00 3.23 H new ATOM 0 HG2 GLU B 38 -11.091 -1.343 3.014 1.00 20.44 H new ATOM 0 HG3 GLU B 38 -12.118 -2.117 1.824 1.00 20.44 H new ATOM 1628 N LEU B 39 -7.729 -4.731 2.998 1.00 74.11 N ATOM 1629 CA LEU B 39 -6.850 -5.819 2.493 1.00 2.24 C ATOM 1630 C LEU B 39 -5.662 -6.157 3.428 1.00 71.42 C ATOM 1631 O LEU B 39 -4.945 -7.134 3.174 1.00 32.03 O ATOM 1632 CB LEU B 39 -6.325 -5.427 1.087 1.00 53.33 C ATOM 1633 CG LEU B 39 -7.417 -5.217 -0.010 1.00 5.50 C ATOM 1634 CD1 LEU B 39 -6.790 -4.778 -1.351 1.00 43.15 C ATOM 1635 CD2 LEU B 39 -8.282 -6.492 -0.185 1.00 61.13 C ATOM 0 H LEU B 39 -7.387 -3.797 2.773 1.00 74.11 H new ATOM 0 HA LEU B 39 -7.457 -6.723 2.450 1.00 2.24 H new ATOM 0 HB2 LEU B 39 -5.747 -4.507 1.179 1.00 53.33 H new ATOM 0 HB3 LEU B 39 -5.639 -6.202 0.747 1.00 53.33 H new ATOM 0 HG LEU B 39 -8.072 -4.412 0.324 1.00 5.50 H new ATOM 0 HD11 LEU B 39 -7.577 -4.641 -2.093 1.00 43.15 H new ATOM 0 HD12 LEU B 39 -6.254 -3.839 -1.212 1.00 43.15 H new ATOM 0 HD13 LEU B 39 -6.096 -5.544 -1.696 1.00 43.15 H new ATOM 0 HD21 LEU B 39 -9.034 -6.319 -0.955 1.00 61.13 H new ATOM 0 HD22 LEU B 39 -7.645 -7.326 -0.481 1.00 61.13 H new ATOM 0 HD23 LEU B 39 -8.775 -6.729 0.758 1.00 61.13 H new ATOM 1647 N VAL B 40 -5.440 -5.358 4.491 1.00 34.02 N ATOM 1648 CA VAL B 40 -4.290 -5.556 5.419 1.00 73.54 C ATOM 1649 C VAL B 40 -4.751 -6.124 6.801 1.00 11.14 C ATOM 1650 O VAL B 40 -5.283 -5.377 7.629 1.00 54.44 O ATOM 1651 CB VAL B 40 -3.480 -4.212 5.633 1.00 1.54 C ATOM 1652 CG1 VAL B 40 -2.212 -4.427 6.503 1.00 53.33 C ATOM 1653 CG2 VAL B 40 -3.103 -3.577 4.277 1.00 52.13 C ATOM 0 H VAL B 40 -6.037 -4.568 4.735 1.00 34.02 H new ATOM 0 HA VAL B 40 -3.633 -6.288 4.949 1.00 73.54 H new ATOM 0 HB VAL B 40 -4.134 -3.527 6.172 1.00 1.54 H new ATOM 0 HG11 VAL B 40 -1.688 -3.479 6.623 1.00 53.33 H new ATOM 0 HG12 VAL B 40 -2.503 -4.808 7.482 1.00 53.33 H new ATOM 0 HG13 VAL B 40 -1.554 -5.146 6.015 1.00 53.33 H new ATOM 0 HG21 VAL B 40 -2.547 -2.655 4.449 1.00 52.13 H new ATOM 0 HG22 VAL B 40 -2.485 -4.272 3.709 1.00 52.13 H new ATOM 0 HG23 VAL B 40 -4.010 -3.355 3.715 1.00 52.13 H new ATOM 1663 N PRO B 41 -4.572 -7.468 7.061 1.00 33.03 N ATOM 1664 CA PRO B 41 -4.739 -8.068 8.419 1.00 53.13 C ATOM 1665 C PRO B 41 -3.549 -7.741 9.357 1.00 22.11 C ATOM 1666 O PRO B 41 -3.578 -8.070 10.548 1.00 42.41 O ATOM 1667 CB PRO B 41 -4.830 -9.588 8.120 1.00 3.23 C ATOM 1668 CG PRO B 41 -3.997 -9.758 6.889 1.00 21.21 C ATOM 1669 CD PRO B 41 -4.247 -8.512 6.058 1.00 44.14 C ATOM 0 HA PRO B 41 -5.610 -7.679 8.946 1.00 53.13 H new ATOM 0 HB2 PRO B 41 -4.446 -10.183 8.949 1.00 3.23 H new ATOM 0 HB3 PRO B 41 -5.860 -9.902 7.953 1.00 3.23 H new ATOM 0 HG2 PRO B 41 -2.941 -9.858 7.140 1.00 21.21 H new ATOM 0 HG3 PRO B 41 -4.281 -10.658 6.343 1.00 21.21 H new ATOM 0 HD2 PRO B 41 -3.369 -8.241 5.471 1.00 44.14 H new ATOM 0 HD3 PRO B 41 -5.067 -8.659 5.356 1.00 44.14 H new ATOM 1677 N GLY B 42 -2.495 -7.109 8.785 1.00 31.55 N ATOM 1678 CA GLY B 42 -1.376 -6.560 9.559 1.00 73.01 C ATOM 1679 C GLY B 42 -1.782 -5.408 10.484 1.00 32.21 C ATOM 1680 O GLY B 42 -1.011 -5.023 11.366 1.00 4.50 O ATOM 0 H GLY B 42 -2.405 -6.971 7.778 1.00 31.55 H new ATOM 0 HA2 GLY B 42 -0.932 -7.356 10.156 1.00 73.01 H new ATOM 0 HA3 GLY B 42 -0.606 -6.210 8.872 1.00 73.01 H new ATOM 1684 N VAL B 43 -2.985 -4.831 10.256 1.00 42.44 N ATOM 1685 CA VAL B 43 -3.606 -3.856 11.178 1.00 73.33 C ATOM 1686 C VAL B 43 -3.941 -4.553 12.532 1.00 34.12 C ATOM 1687 O VAL B 43 -4.686 -5.541 12.534 1.00 21.34 O ATOM 1688 CB VAL B 43 -4.907 -3.220 10.540 1.00 13.25 C ATOM 1689 CG1 VAL B 43 -5.593 -2.219 11.499 1.00 32.43 C ATOM 1690 CG2 VAL B 43 -4.586 -2.544 9.181 1.00 12.41 C ATOM 0 H VAL B 43 -3.550 -5.029 9.430 1.00 42.44 H new ATOM 0 HA VAL B 43 -2.898 -3.048 11.360 1.00 73.33 H new ATOM 0 HB VAL B 43 -5.608 -4.036 10.364 1.00 13.25 H new ATOM 0 HG11 VAL B 43 -6.481 -1.807 11.020 1.00 32.43 H new ATOM 0 HG12 VAL B 43 -5.880 -2.733 12.416 1.00 32.43 H new ATOM 0 HG13 VAL B 43 -4.901 -1.411 11.737 1.00 32.43 H new ATOM 0 HG21 VAL B 43 -5.497 -2.115 8.764 1.00 12.41 H new ATOM 0 HG22 VAL B 43 -3.849 -1.755 9.332 1.00 12.41 H new ATOM 0 HG23 VAL B 43 -4.186 -3.287 8.491 1.00 12.41 H new ATOM 1700 N PRO B 44 -3.376 -4.064 13.694 1.00 1.52 N ATOM 1701 CA PRO B 44 -3.508 -4.760 15.004 1.00 54.34 C ATOM 1702 C PRO B 44 -4.966 -4.756 15.545 1.00 23.51 C ATOM 1703 O PRO B 44 -5.398 -3.798 16.196 1.00 73.40 O ATOM 1704 CB PRO B 44 -2.525 -3.979 15.924 1.00 23.50 C ATOM 1705 CG PRO B 44 -2.445 -2.608 15.318 1.00 75.41 C ATOM 1706 CD PRO B 44 -2.582 -2.804 13.823 1.00 2.22 C ATOM 0 HA PRO B 44 -3.270 -5.822 14.939 1.00 54.34 H new ATOM 0 HB2 PRO B 44 -2.891 -3.938 16.950 1.00 23.50 H new ATOM 0 HB3 PRO B 44 -1.546 -4.457 15.954 1.00 23.50 H new ATOM 0 HG2 PRO B 44 -3.237 -1.965 15.701 1.00 75.41 H new ATOM 0 HG3 PRO B 44 -1.498 -2.128 15.563 1.00 75.41 H new ATOM 0 HD2 PRO B 44 -3.092 -1.962 13.355 1.00 2.22 H new ATOM 0 HD3 PRO B 44 -1.608 -2.895 13.342 1.00 2.22 H new ATOM 1714 N ARG B 45 -5.703 -5.851 15.237 1.00 64.13 N ATOM 1715 CA ARG B 45 -7.143 -6.040 15.558 1.00 54.54 C ATOM 1716 C ARG B 45 -8.029 -4.897 14.968 1.00 13.43 C ATOM 1717 O ARG B 45 -8.606 -5.040 13.885 1.00 72.14 O ATOM 1718 CB ARG B 45 -7.386 -6.220 17.088 1.00 54.54 C ATOM 1719 CG ARG B 45 -6.546 -7.339 17.757 1.00 50.34 C ATOM 1720 CD ARG B 45 -7.067 -7.738 19.160 1.00 22.13 C ATOM 1721 NE ARG B 45 -8.168 -8.727 19.103 1.00 65.34 N ATOM 1722 CZ ARG B 45 -9.457 -8.468 19.021 1.00 50.31 C ATOM 1723 NH1 ARG B 45 -9.914 -7.255 19.018 1.00 1.33 N ATOM 1724 NH2 ARG B 45 -10.292 -9.451 18.950 1.00 11.01 N ATOM 0 H ARG B 45 -5.303 -6.650 14.745 1.00 64.13 H new ATOM 0 HA ARG B 45 -7.449 -6.968 15.074 1.00 54.54 H new ATOM 0 HB2 ARG B 45 -7.171 -5.276 17.589 1.00 54.54 H new ATOM 0 HB3 ARG B 45 -8.443 -6.433 17.250 1.00 54.54 H new ATOM 0 HG2 ARG B 45 -6.546 -8.218 17.113 1.00 50.34 H new ATOM 0 HG3 ARG B 45 -5.512 -7.006 17.842 1.00 50.34 H new ATOM 0 HD2 ARG B 45 -6.244 -8.150 19.744 1.00 22.13 H new ATOM 0 HD3 ARG B 45 -7.413 -6.846 19.682 1.00 22.13 H new ATOM 0 HE ARG B 45 -7.900 -9.711 19.130 1.00 65.34 H new ATOM 0 HH11 ARG B 45 -9.269 -6.467 19.080 1.00 1.33 H new ATOM 0 HH12 ARG B 45 -10.918 -7.089 18.953 1.00 1.33 H new ATOM 0 HH21 ARG B 45 -9.950 -10.412 18.958 1.00 11.01 H new ATOM 0 HH22 ARG B 45 -11.293 -9.266 18.886 1.00 11.01 H new ATOM 1738 N GLY B 46 -8.116 -3.768 15.698 1.00 1.25 N ATOM 1739 CA GLY B 46 -8.798 -2.551 15.241 1.00 43.21 C ATOM 1740 C GLY B 46 -7.808 -1.394 15.112 1.00 30.34 C ATOM 1741 O GLY B 46 -7.199 -1.230 14.059 1.00 21.32 O ATOM 0 H GLY B 46 -7.710 -3.679 16.629 1.00 1.25 H new ATOM 0 HA2 GLY B 46 -9.277 -2.736 14.279 1.00 43.21 H new ATOM 0 HA3 GLY B 46 -9.587 -2.284 15.944 1.00 43.21 H new ATOM 1745 N THR B 47 -7.672 -0.604 16.204 1.00 12.25 N ATOM 1746 CA THR B 47 -6.615 0.429 16.391 1.00 3.50 C ATOM 1747 C THR B 47 -6.554 1.485 15.249 1.00 4.54 C ATOM 1748 O THR B 47 -6.079 1.201 14.138 1.00 23.44 O ATOM 1749 CB THR B 47 -5.197 -0.222 16.592 1.00 71.23 C ATOM 1750 OG1 THR B 47 -5.237 -1.149 17.696 1.00 33.11 O ATOM 1751 CG2 THR B 47 -4.091 0.828 16.854 1.00 60.22 C ATOM 0 H THR B 47 -8.307 -0.666 17.000 1.00 12.25 H new ATOM 0 HA THR B 47 -6.902 0.961 17.298 1.00 3.50 H new ATOM 0 HB THR B 47 -4.951 -0.739 15.664 1.00 71.23 H new ATOM 0 HG1 THR B 47 -5.293 -2.065 17.352 1.00 33.11 H new ATOM 0 HG21 THR B 47 -3.134 0.323 16.985 1.00 60.22 H new ATOM 0 HG22 THR B 47 -4.028 1.510 16.006 1.00 60.22 H new ATOM 0 HG23 THR B 47 -4.331 1.392 17.756 1.00 60.22 H new ATOM 1759 N GLN B 48 -7.027 2.713 15.541 1.00 35.31 N ATOM 1760 CA GLN B 48 -6.933 3.854 14.603 1.00 13.50 C ATOM 1761 C GLN B 48 -5.449 4.234 14.313 1.00 1.30 C ATOM 1762 O GLN B 48 -4.723 4.726 15.186 1.00 65.21 O ATOM 1763 CB GLN B 48 -7.745 5.074 15.137 1.00 61.23 C ATOM 1764 CG GLN B 48 -7.413 5.521 16.577 1.00 35.22 C ATOM 1765 CD GLN B 48 -8.163 6.787 17.002 1.00 45.53 C ATOM 1766 OE1 GLN B 48 -9.264 6.725 17.544 1.00 2.01 O ATOM 1767 NE2 GLN B 48 -7.578 7.947 16.757 1.00 24.40 N ATOM 0 H GLN B 48 -7.481 2.943 16.425 1.00 35.31 H new ATOM 0 HA GLN B 48 -7.374 3.548 13.655 1.00 13.50 H new ATOM 0 HB2 GLN B 48 -7.580 5.918 14.467 1.00 61.23 H new ATOM 0 HB3 GLN B 48 -8.806 4.830 15.087 1.00 61.23 H new ATOM 0 HG2 GLN B 48 -7.656 4.713 17.267 1.00 35.22 H new ATOM 0 HG3 GLN B 48 -6.340 5.697 16.658 1.00 35.22 H new ATOM 0 HE21 GLN B 48 -6.664 7.972 16.306 1.00 24.40 H new ATOM 0 HE22 GLN B 48 -8.041 8.817 17.019 1.00 24.40 H new ATOM 1776 N LEU B 49 -5.005 3.952 13.079 1.00 45.25 N ATOM 1777 CA LEU B 49 -3.621 4.223 12.618 1.00 12.12 C ATOM 1778 C LEU B 49 -3.475 5.642 12.006 1.00 24.34 C ATOM 1779 O LEU B 49 -4.448 6.398 11.902 1.00 0.43 O ATOM 1780 CB LEU B 49 -3.212 3.150 11.572 1.00 74.23 C ATOM 1781 CG LEU B 49 -3.257 1.664 12.059 1.00 60.45 C ATOM 1782 CD1 LEU B 49 -2.973 0.692 10.898 1.00 54.52 C ATOM 1783 CD2 LEU B 49 -2.282 1.422 13.242 1.00 60.13 C ATOM 0 H LEU B 49 -5.594 3.527 12.363 1.00 45.25 H new ATOM 0 HA LEU B 49 -2.962 4.176 13.485 1.00 12.12 H new ATOM 0 HB2 LEU B 49 -3.867 3.248 10.706 1.00 74.23 H new ATOM 0 HB3 LEU B 49 -2.200 3.370 11.233 1.00 74.23 H new ATOM 0 HG LEU B 49 -4.266 1.468 12.422 1.00 60.45 H new ATOM 0 HD11 LEU B 49 -3.011 -0.334 11.265 1.00 54.52 H new ATOM 0 HD12 LEU B 49 -3.723 0.827 10.119 1.00 54.52 H new ATOM 0 HD13 LEU B 49 -1.984 0.895 10.488 1.00 54.52 H new ATOM 0 HD21 LEU B 49 -2.340 0.379 13.554 1.00 60.13 H new ATOM 0 HD22 LEU B 49 -1.264 1.650 12.927 1.00 60.13 H new ATOM 0 HD23 LEU B 49 -2.556 2.066 14.077 1.00 60.13 H new ATOM 1795 N SER B 50 -2.235 6.000 11.630 1.00 23.05 N ATOM 1796 CA SER B 50 -1.932 7.249 10.876 1.00 24.43 C ATOM 1797 C SER B 50 -1.782 6.953 9.363 1.00 5.11 C ATOM 1798 O SER B 50 -1.708 5.789 8.958 1.00 55.55 O ATOM 1799 CB SER B 50 -0.640 7.901 11.429 1.00 35.45 C ATOM 1800 OG SER B 50 -0.333 9.115 10.753 1.00 52.43 O ATOM 0 H SER B 50 -1.409 5.438 11.836 1.00 23.05 H new ATOM 0 HA SER B 50 -2.762 7.943 11.006 1.00 24.43 H new ATOM 0 HB2 SER B 50 -0.759 8.098 12.495 1.00 35.45 H new ATOM 0 HB3 SER B 50 0.193 7.205 11.324 1.00 35.45 H new ATOM 0 HG SER B 50 0.486 9.500 11.128 1.00 52.43 H new ATOM 1806 N GLN B 51 -1.729 8.016 8.535 1.00 22.04 N ATOM 1807 CA GLN B 51 -1.570 7.898 7.062 1.00 64.12 C ATOM 1808 C GLN B 51 -0.208 7.248 6.689 1.00 52.10 C ATOM 1809 O GLN B 51 -0.136 6.386 5.806 1.00 1.33 O ATOM 1810 CB GLN B 51 -1.702 9.300 6.407 1.00 63.53 C ATOM 1811 CG GLN B 51 -3.033 10.026 6.719 1.00 30.51 C ATOM 1812 CD GLN B 51 -3.126 11.430 6.104 1.00 74.20 C ATOM 1813 OE1 GLN B 51 -2.707 12.412 6.710 1.00 32.25 O ATOM 1814 NE2 GLN B 51 -3.698 11.544 4.915 1.00 55.23 N ATOM 0 H GLN B 51 -1.795 8.980 8.862 1.00 22.04 H new ATOM 0 HA GLN B 51 -2.358 7.248 6.682 1.00 64.12 H new ATOM 0 HB2 GLN B 51 -0.874 9.924 6.742 1.00 63.53 H new ATOM 0 HB3 GLN B 51 -1.604 9.194 5.327 1.00 63.53 H new ATOM 0 HG2 GLN B 51 -3.862 9.421 6.351 1.00 30.51 H new ATOM 0 HG3 GLN B 51 -3.150 10.103 7.800 1.00 30.51 H new ATOM 0 HE21 GLN B 51 -4.038 10.713 4.431 1.00 55.23 H new ATOM 0 HE22 GLN B 51 -3.798 12.463 4.483 1.00 55.23 H new ATOM 1823 N VAL B 52 0.866 7.669 7.397 1.00 44.20 N ATOM 1824 CA VAL B 52 2.230 7.104 7.207 1.00 51.23 C ATOM 1825 C VAL B 52 2.310 5.657 7.762 1.00 15.21 C ATOM 1826 O VAL B 52 2.982 4.793 7.184 1.00 15.32 O ATOM 1827 CB VAL B 52 3.350 7.977 7.898 1.00 75.32 C ATOM 1828 CG1 VAL B 52 4.766 7.560 7.417 1.00 71.21 C ATOM 1829 CG2 VAL B 52 3.115 9.483 7.664 1.00 62.22 C ATOM 0 H VAL B 52 0.818 8.399 8.107 1.00 44.20 H new ATOM 0 HA VAL B 52 2.411 7.104 6.132 1.00 51.23 H new ATOM 0 HB VAL B 52 3.290 7.792 8.970 1.00 75.32 H new ATOM 0 HG11 VAL B 52 5.515 8.179 7.911 1.00 71.21 H new ATOM 0 HG12 VAL B 52 4.941 6.513 7.664 1.00 71.21 H new ATOM 0 HG13 VAL B 52 4.838 7.695 6.338 1.00 71.21 H new ATOM 0 HG21 VAL B 52 3.904 10.055 8.153 1.00 62.22 H new ATOM 0 HG22 VAL B 52 3.126 9.691 6.594 1.00 62.22 H new ATOM 0 HG23 VAL B 52 2.149 9.769 8.079 1.00 62.22 H new ATOM 1839 N GLU B 53 1.616 5.433 8.903 1.00 41.41 N ATOM 1840 CA GLU B 53 1.494 4.103 9.556 1.00 74.25 C ATOM 1841 C GLU B 53 0.933 3.045 8.592 1.00 54.04 C ATOM 1842 O GLU B 53 1.445 1.930 8.536 1.00 42.22 O ATOM 1843 CB GLU B 53 0.595 4.203 10.842 1.00 0.24 C ATOM 1844 CG GLU B 53 1.358 4.188 12.181 1.00 24.44 C ATOM 1845 CD GLU B 53 1.895 2.787 12.540 1.00 25.15 C ATOM 1846 OE1 GLU B 53 2.936 2.365 11.988 1.00 72.30 O ATOM 1847 OE2 GLU B 53 1.278 2.104 13.381 1.00 74.42 O ATOM 0 H GLU B 53 1.121 6.173 9.401 1.00 41.41 H new ATOM 0 HA GLU B 53 2.496 3.787 9.847 1.00 74.25 H new ATOM 0 HB2 GLU B 53 0.010 5.121 10.786 1.00 0.24 H new ATOM 0 HB3 GLU B 53 -0.112 3.374 10.836 1.00 0.24 H new ATOM 0 HG2 GLU B 53 2.190 4.890 12.129 1.00 24.44 H new ATOM 0 HG3 GLU B 53 0.697 4.535 12.976 1.00 24.44 H new ATOM 1854 N ILE B 54 -0.126 3.415 7.849 1.00 44.32 N ATOM 1855 CA ILE B 54 -0.720 2.550 6.820 1.00 34.20 C ATOM 1856 C ILE B 54 0.318 2.214 5.716 1.00 65.14 C ATOM 1857 O ILE B 54 0.508 1.048 5.413 1.00 35.52 O ATOM 1858 CB ILE B 54 -2.016 3.196 6.196 1.00 21.35 C ATOM 1859 CG1 ILE B 54 -3.140 3.339 7.282 1.00 41.20 C ATOM 1860 CG2 ILE B 54 -2.529 2.398 4.965 1.00 5.41 C ATOM 1861 CD1 ILE B 54 -4.421 4.014 6.801 1.00 23.10 C ATOM 0 H ILE B 54 -0.590 4.318 7.946 1.00 44.32 H new ATOM 0 HA ILE B 54 -1.019 1.620 7.304 1.00 34.20 H new ATOM 0 HB ILE B 54 -1.748 4.191 5.842 1.00 21.35 H new ATOM 0 HG12 ILE B 54 -3.389 2.347 7.658 1.00 41.20 H new ATOM 0 HG13 ILE B 54 -2.742 3.907 8.123 1.00 41.20 H new ATOM 0 HG21 ILE B 54 -3.423 2.878 4.567 1.00 5.41 H new ATOM 0 HG22 ILE B 54 -1.756 2.377 4.197 1.00 5.41 H new ATOM 0 HG23 ILE B 54 -2.769 1.378 5.267 1.00 5.41 H new ATOM 0 HD11 ILE B 54 -5.136 4.066 7.623 1.00 23.10 H new ATOM 0 HD12 ILE B 54 -4.193 5.022 6.454 1.00 23.10 H new ATOM 0 HD13 ILE B 54 -4.851 3.437 5.982 1.00 23.10 H new ATOM 1873 N LEU B 55 1.008 3.241 5.175 1.00 64.32 N ATOM 1874 CA LEU B 55 2.035 3.055 4.109 1.00 44.31 C ATOM 1875 C LEU B 55 3.122 2.021 4.496 1.00 14.24 C ATOM 1876 O LEU B 55 3.365 1.062 3.760 1.00 62.42 O ATOM 1877 CB LEU B 55 2.723 4.409 3.790 1.00 52.41 C ATOM 1878 CG LEU B 55 1.833 5.502 3.142 1.00 0.05 C ATOM 1879 CD1 LEU B 55 2.615 6.825 2.971 1.00 71.31 C ATOM 1880 CD2 LEU B 55 1.259 5.012 1.797 1.00 54.54 C ATOM 0 H LEU B 55 0.877 4.213 5.455 1.00 64.32 H new ATOM 0 HA LEU B 55 1.508 2.675 3.234 1.00 44.31 H new ATOM 0 HB2 LEU B 55 3.134 4.809 4.717 1.00 52.41 H new ATOM 0 HB3 LEU B 55 3.565 4.216 3.125 1.00 52.41 H new ATOM 0 HG LEU B 55 0.995 5.699 3.811 1.00 0.05 H new ATOM 0 HD11 LEU B 55 1.968 7.574 2.515 1.00 71.31 H new ATOM 0 HD12 LEU B 55 2.948 7.179 3.946 1.00 71.31 H new ATOM 0 HD13 LEU B 55 3.481 6.656 2.331 1.00 71.31 H new ATOM 0 HD21 LEU B 55 0.638 5.794 1.360 1.00 54.54 H new ATOM 0 HD22 LEU B 55 2.077 4.776 1.117 1.00 54.54 H new ATOM 0 HD23 LEU B 55 0.656 4.120 1.962 1.00 54.54 H new ATOM 1892 N GLN B 56 3.724 2.214 5.682 1.00 11.11 N ATOM 1893 CA GLN B 56 4.802 1.342 6.205 1.00 14.52 C ATOM 1894 C GLN B 56 4.284 -0.069 6.563 1.00 51.41 C ATOM 1895 O GLN B 56 5.005 -1.057 6.409 1.00 21.23 O ATOM 1896 CB GLN B 56 5.486 2.013 7.428 1.00 12.11 C ATOM 1897 CG GLN B 56 6.333 3.255 7.065 1.00 52.02 C ATOM 1898 CD GLN B 56 7.026 3.923 8.256 1.00 24.13 C ATOM 1899 OE1 GLN B 56 7.329 3.289 9.266 1.00 14.02 O ATOM 1900 NE2 GLN B 56 7.319 5.199 8.137 1.00 71.14 N ATOM 0 H GLN B 56 3.480 2.980 6.310 1.00 11.11 H new ATOM 0 HA GLN B 56 5.541 1.215 5.414 1.00 14.52 H new ATOM 0 HB2 GLN B 56 4.720 2.304 8.146 1.00 12.11 H new ATOM 0 HB3 GLN B 56 6.125 1.281 7.922 1.00 12.11 H new ATOM 0 HG2 GLN B 56 7.090 2.962 6.338 1.00 52.02 H new ATOM 0 HG3 GLN B 56 5.690 3.988 6.578 1.00 52.02 H new ATOM 0 HE21 GLN B 56 7.058 5.705 7.291 1.00 71.14 H new ATOM 0 HE22 GLN B 56 7.807 5.683 8.891 1.00 71.14 H new ATOM 1909 N ARG B 57 3.035 -0.142 7.052 1.00 42.50 N ATOM 1910 CA ARG B 57 2.377 -1.417 7.421 1.00 0.53 C ATOM 1911 C ARG B 57 1.957 -2.229 6.175 1.00 33.22 C ATOM 1912 O ARG B 57 1.883 -3.455 6.228 1.00 55.54 O ATOM 1913 CB ARG B 57 1.157 -1.127 8.324 1.00 42.22 C ATOM 1914 CG ARG B 57 0.488 -2.367 8.947 1.00 31.34 C ATOM 1915 CD ARG B 57 -0.593 -1.989 9.972 1.00 1.54 C ATOM 1916 NE ARG B 57 -0.063 -1.135 11.056 1.00 64.02 N ATOM 1917 CZ ARG B 57 0.434 -1.560 12.199 1.00 14.31 C ATOM 1918 NH1 ARG B 57 0.567 -2.823 12.462 1.00 71.10 N ATOM 1919 NH2 ARG B 57 0.825 -0.701 13.075 1.00 3.04 N ATOM 0 H ARG B 57 2.449 0.679 7.205 1.00 42.50 H new ATOM 0 HA ARG B 57 3.096 -2.026 7.969 1.00 0.53 H new ATOM 0 HB2 ARG B 57 1.471 -0.462 9.128 1.00 42.22 H new ATOM 0 HB3 ARG B 57 0.412 -0.589 7.738 1.00 42.22 H new ATOM 0 HG2 ARG B 57 0.042 -2.973 8.158 1.00 31.34 H new ATOM 0 HG3 ARG B 57 1.246 -2.982 9.431 1.00 31.34 H new ATOM 0 HD2 ARG B 57 -1.405 -1.467 9.465 1.00 1.54 H new ATOM 0 HD3 ARG B 57 -1.017 -2.897 10.402 1.00 1.54 H new ATOM 0 HE ARG B 57 -0.084 -0.126 10.905 1.00 64.02 H new ATOM 0 HH11 ARG B 57 0.283 -3.520 11.774 1.00 71.10 H new ATOM 0 HH12 ARG B 57 0.956 -3.119 13.357 1.00 71.10 H new ATOM 0 HH21 ARG B 57 0.748 0.297 12.880 1.00 3.04 H new ATOM 0 HH22 ARG B 57 1.212 -1.019 13.964 1.00 3.04 H new ATOM 1933 N VAL B 58 1.670 -1.529 5.062 1.00 52.25 N ATOM 1934 CA VAL B 58 1.377 -2.164 3.761 1.00 15.34 C ATOM 1935 C VAL B 58 2.674 -2.730 3.133 1.00 31.43 C ATOM 1936 O VAL B 58 2.666 -3.839 2.601 1.00 61.33 O ATOM 1937 CB VAL B 58 0.660 -1.169 2.768 1.00 30.14 C ATOM 1938 CG1 VAL B 58 0.560 -1.749 1.342 1.00 51.31 C ATOM 1939 CG2 VAL B 58 -0.752 -0.794 3.281 1.00 64.05 C ATOM 0 H VAL B 58 1.634 -0.510 5.038 1.00 52.25 H new ATOM 0 HA VAL B 58 0.687 -2.988 3.944 1.00 15.34 H new ATOM 0 HB VAL B 58 1.275 -0.270 2.725 1.00 30.14 H new ATOM 0 HG11 VAL B 58 0.060 -1.031 0.692 1.00 51.31 H new ATOM 0 HG12 VAL B 58 1.561 -1.949 0.960 1.00 51.31 H new ATOM 0 HG13 VAL B 58 -0.012 -2.677 1.366 1.00 51.31 H new ATOM 0 HG21 VAL B 58 -1.224 -0.107 2.578 1.00 64.05 H new ATOM 0 HG22 VAL B 58 -1.358 -1.696 3.370 1.00 64.05 H new ATOM 0 HG23 VAL B 58 -0.669 -0.315 4.256 1.00 64.05 H new ATOM 1949 N ILE B 59 3.783 -1.964 3.217 1.00 33.50 N ATOM 1950 CA ILE B 59 5.129 -2.455 2.831 1.00 53.42 C ATOM 1951 C ILE B 59 5.467 -3.742 3.632 1.00 63.20 C ATOM 1952 O ILE B 59 5.765 -4.779 3.050 1.00 22.25 O ATOM 1953 CB ILE B 59 6.241 -1.363 3.090 1.00 64.14 C ATOM 1954 CG1 ILE B 59 5.939 -0.054 2.294 1.00 3.22 C ATOM 1955 CG2 ILE B 59 7.659 -1.896 2.746 1.00 33.24 C ATOM 1956 CD1 ILE B 59 6.823 1.128 2.663 1.00 20.33 C ATOM 0 H ILE B 59 3.775 -1.000 3.549 1.00 33.50 H new ATOM 0 HA ILE B 59 5.113 -2.675 1.763 1.00 53.42 H new ATOM 0 HB ILE B 59 6.222 -1.130 4.155 1.00 64.14 H new ATOM 0 HG12 ILE B 59 6.052 -0.257 1.229 1.00 3.22 H new ATOM 0 HG13 ILE B 59 4.897 0.223 2.457 1.00 3.22 H new ATOM 0 HG21 ILE B 59 8.397 -1.117 2.937 1.00 33.24 H new ATOM 0 HG22 ILE B 59 7.881 -2.765 3.365 1.00 33.24 H new ATOM 0 HG23 ILE B 59 7.696 -2.180 1.694 1.00 33.24 H new ATOM 0 HD11 ILE B 59 6.543 1.993 2.062 1.00 20.33 H new ATOM 0 HD12 ILE B 59 6.694 1.363 3.719 1.00 20.33 H new ATOM 0 HD13 ILE B 59 7.866 0.876 2.473 1.00 20.33 H new ATOM 1968 N ASP B 60 5.336 -3.646 4.970 1.00 71.43 N ATOM 1969 CA ASP B 60 5.572 -4.760 5.919 1.00 11.34 C ATOM 1970 C ASP B 60 4.619 -5.961 5.667 1.00 20.54 C ATOM 1971 O ASP B 60 4.999 -7.109 5.883 1.00 22.12 O ATOM 1972 CB ASP B 60 5.411 -4.230 7.367 1.00 30.11 C ATOM 1973 CG ASP B 60 5.613 -5.304 8.452 1.00 4.22 C ATOM 1974 OD1 ASP B 60 6.754 -5.782 8.622 1.00 2.34 O ATOM 1975 OD2 ASP B 60 4.632 -5.702 9.118 1.00 4.44 O ATOM 0 H ASP B 60 5.059 -2.780 5.432 1.00 71.43 H new ATOM 0 HA ASP B 60 6.586 -5.131 5.767 1.00 11.34 H new ATOM 0 HB2 ASP B 60 6.127 -3.424 7.530 1.00 30.11 H new ATOM 0 HB3 ASP B 60 4.416 -3.799 7.477 1.00 30.11 H new ATOM 1980 N TYR B 61 3.378 -5.663 5.228 1.00 10.43 N ATOM 1981 CA TYR B 61 2.379 -6.684 4.827 1.00 1.24 C ATOM 1982 C TYR B 61 2.875 -7.498 3.614 1.00 71.41 C ATOM 1983 O TYR B 61 2.842 -8.728 3.629 1.00 32.42 O ATOM 1984 CB TYR B 61 1.013 -6.000 4.511 1.00 23.15 C ATOM 1985 CG TYR B 61 -0.015 -6.905 3.808 1.00 14.44 C ATOM 1986 CD1 TYR B 61 -0.667 -7.923 4.501 1.00 2.23 C ATOM 1987 CD2 TYR B 61 -0.309 -6.749 2.446 1.00 30.43 C ATOM 1988 CE1 TYR B 61 -1.572 -8.746 3.866 1.00 41.33 C ATOM 1989 CE2 TYR B 61 -1.219 -7.572 1.818 1.00 1.31 C ATOM 1990 CZ TYR B 61 -1.848 -8.566 2.534 1.00 24.23 C ATOM 1991 OH TYR B 61 -2.751 -9.398 1.911 1.00 21.13 O ATOM 0 H TYR B 61 3.037 -4.706 5.140 1.00 10.43 H new ATOM 0 HA TYR B 61 2.241 -7.376 5.658 1.00 1.24 H new ATOM 0 HB2 TYR B 61 0.580 -5.638 5.443 1.00 23.15 H new ATOM 0 HB3 TYR B 61 1.196 -5.127 3.884 1.00 23.15 H new ATOM 0 HD1 TYR B 61 -0.460 -8.069 5.551 1.00 2.23 H new ATOM 0 HD2 TYR B 61 0.185 -5.973 1.881 1.00 30.43 H new ATOM 0 HE1 TYR B 61 -2.064 -9.533 4.417 1.00 41.33 H new ATOM 0 HE2 TYR B 61 -1.438 -7.438 0.769 1.00 1.31 H new ATOM 0 HH TYR B 61 -3.419 -9.701 2.561 1.00 21.13 H new ATOM 2001 N ILE B 62 3.331 -6.789 2.571 1.00 11.20 N ATOM 2002 CA ILE B 62 3.851 -7.416 1.339 1.00 65.24 C ATOM 2003 C ILE B 62 5.152 -8.219 1.637 1.00 32.30 C ATOM 2004 O ILE B 62 5.353 -9.313 1.110 1.00 61.45 O ATOM 2005 CB ILE B 62 4.108 -6.335 0.223 1.00 24.12 C ATOM 2006 CG1 ILE B 62 2.806 -5.507 -0.075 1.00 20.33 C ATOM 2007 CG2 ILE B 62 4.636 -6.991 -1.073 1.00 64.51 C ATOM 2008 CD1 ILE B 62 3.007 -4.298 -0.989 1.00 45.33 C ATOM 0 H ILE B 62 3.351 -5.769 2.554 1.00 11.20 H new ATOM 0 HA ILE B 62 3.097 -8.111 0.969 1.00 65.24 H new ATOM 0 HB ILE B 62 4.870 -5.651 0.597 1.00 24.12 H new ATOM 0 HG12 ILE B 62 2.068 -6.169 -0.529 1.00 20.33 H new ATOM 0 HG13 ILE B 62 2.387 -5.163 0.871 1.00 20.33 H new ATOM 0 HG21 ILE B 62 4.805 -6.222 -1.827 1.00 64.51 H new ATOM 0 HG22 ILE B 62 5.573 -7.507 -0.864 1.00 64.51 H new ATOM 0 HG23 ILE B 62 3.903 -7.707 -1.443 1.00 64.51 H new ATOM 0 HD11 ILE B 62 2.054 -3.791 -1.136 1.00 45.33 H new ATOM 0 HD12 ILE B 62 3.717 -3.610 -0.531 1.00 45.33 H new ATOM 0 HD13 ILE B 62 3.394 -4.630 -1.952 1.00 45.33 H new ATOM 2020 N LEU B 63 6.002 -7.669 2.524 1.00 3.14 N ATOM 2021 CA LEU B 63 7.236 -8.335 3.002 1.00 45.24 C ATOM 2022 C LEU B 63 6.908 -9.574 3.876 1.00 43.44 C ATOM 2023 O LEU B 63 7.685 -10.524 3.922 1.00 2.40 O ATOM 2024 CB LEU B 63 8.121 -7.335 3.792 1.00 64.25 C ATOM 2025 CG LEU B 63 8.622 -6.077 3.006 1.00 30.10 C ATOM 2026 CD1 LEU B 63 9.473 -5.159 3.911 1.00 52.22 C ATOM 2027 CD2 LEU B 63 9.383 -6.469 1.718 1.00 24.03 C ATOM 0 H LEU B 63 5.855 -6.746 2.933 1.00 3.14 H new ATOM 0 HA LEU B 63 7.789 -8.679 2.128 1.00 45.24 H new ATOM 0 HB2 LEU B 63 7.558 -6.993 4.661 1.00 64.25 H new ATOM 0 HB3 LEU B 63 8.992 -7.872 4.168 1.00 64.25 H new ATOM 0 HG LEU B 63 7.742 -5.514 2.696 1.00 30.10 H new ATOM 0 HD11 LEU B 63 9.808 -4.293 3.339 1.00 52.22 H new ATOM 0 HD12 LEU B 63 8.873 -4.825 4.757 1.00 52.22 H new ATOM 0 HD13 LEU B 63 10.340 -5.710 4.276 1.00 52.22 H new ATOM 0 HD21 LEU B 63 9.714 -5.568 1.202 1.00 24.03 H new ATOM 0 HD22 LEU B 63 10.250 -7.077 1.978 1.00 24.03 H new ATOM 0 HD23 LEU B 63 8.723 -7.039 1.065 1.00 24.03 H new ATOM 2039 N ASP B 64 5.753 -9.535 4.571 1.00 53.42 N ATOM 2040 CA ASP B 64 5.236 -10.679 5.359 1.00 43.44 C ATOM 2041 C ASP B 64 4.792 -11.841 4.431 1.00 62.45 C ATOM 2042 O ASP B 64 4.932 -13.016 4.779 1.00 20.41 O ATOM 2043 CB ASP B 64 4.054 -10.211 6.247 1.00 33.23 C ATOM 2044 CG ASP B 64 3.486 -11.313 7.157 1.00 72.20 C ATOM 2045 OD1 ASP B 64 4.178 -11.702 8.125 1.00 51.52 O ATOM 2046 OD2 ASP B 64 2.352 -11.785 6.923 1.00 73.35 O ATOM 0 H ASP B 64 5.151 -8.712 4.604 1.00 53.42 H new ATOM 0 HA ASP B 64 6.037 -11.051 5.997 1.00 43.44 H new ATOM 0 HB2 ASP B 64 4.385 -9.377 6.866 1.00 33.23 H new ATOM 0 HB3 ASP B 64 3.257 -9.836 5.606 1.00 33.23 H new ATOM 2051 N LEU B 65 4.250 -11.481 3.256 1.00 1.53 N ATOM 2052 CA LEU B 65 3.864 -12.448 2.204 1.00 44.12 C ATOM 2053 C LEU B 65 5.113 -13.038 1.504 1.00 34.13 C ATOM 2054 O LEU B 65 5.138 -14.215 1.138 1.00 44.14 O ATOM 2055 CB LEU B 65 2.945 -11.750 1.168 1.00 52.23 C ATOM 2056 CG LEU B 65 1.670 -11.071 1.755 1.00 3.53 C ATOM 2057 CD1 LEU B 65 0.880 -10.327 0.668 1.00 13.13 C ATOM 2058 CD2 LEU B 65 0.779 -12.083 2.506 1.00 1.42 C ATOM 0 H LEU B 65 4.065 -10.510 3.004 1.00 1.53 H new ATOM 0 HA LEU B 65 3.323 -13.271 2.670 1.00 44.12 H new ATOM 0 HB2 LEU B 65 3.528 -10.995 0.641 1.00 52.23 H new ATOM 0 HB3 LEU B 65 2.635 -12.487 0.428 1.00 52.23 H new ATOM 0 HG LEU B 65 2.004 -10.332 2.483 1.00 3.53 H new ATOM 0 HD11 LEU B 65 -0.002 -9.865 1.111 1.00 13.13 H new ATOM 0 HD12 LEU B 65 1.509 -9.555 0.225 1.00 13.13 H new ATOM 0 HD13 LEU B 65 0.572 -11.032 -0.104 1.00 13.13 H new ATOM 0 HD21 LEU B 65 -0.099 -11.572 2.900 1.00 1.42 H new ATOM 0 HD22 LEU B 65 0.464 -12.869 1.820 1.00 1.42 H new ATOM 0 HD23 LEU B 65 1.342 -12.523 3.329 1.00 1.42 H new ATOM 2070 N GLN B 66 6.138 -12.189 1.336 1.00 70.23 N ATOM 2071 CA GLN B 66 7.418 -12.544 0.661 1.00 32.10 C ATOM 2072 C GLN B 66 8.472 -13.105 1.656 1.00 13.32 C ATOM 2073 O GLN B 66 8.319 -12.999 2.875 1.00 65.41 O ATOM 2074 CB GLN B 66 7.972 -11.286 -0.065 1.00 5.01 C ATOM 2075 CG GLN B 66 7.057 -10.741 -1.191 1.00 13.14 C ATOM 2076 CD GLN B 66 7.462 -9.362 -1.728 1.00 22.31 C ATOM 2077 OE1 GLN B 66 7.280 -9.062 -2.907 1.00 15.20 O ATOM 2078 NE2 GLN B 66 7.961 -8.489 -0.866 1.00 11.23 N ATOM 0 H GLN B 66 6.112 -11.224 1.665 1.00 70.23 H new ATOM 0 HA GLN B 66 7.216 -13.335 -0.061 1.00 32.10 H new ATOM 0 HB2 GLN B 66 8.131 -10.498 0.671 1.00 5.01 H new ATOM 0 HB3 GLN B 66 8.946 -11.527 -0.490 1.00 5.01 H new ATOM 0 HG2 GLN B 66 7.055 -11.452 -2.017 1.00 13.14 H new ATOM 0 HG3 GLN B 66 6.035 -10.685 -0.816 1.00 13.14 H new ATOM 0 HE21 GLN B 66 8.104 -8.758 0.107 1.00 11.23 H new ATOM 0 HE22 GLN B 66 8.202 -7.548 -1.176 1.00 11.23 H new ATOM 2087 N VAL B 67 9.539 -13.723 1.115 1.00 71.04 N ATOM 2088 CA VAL B 67 10.663 -14.254 1.922 1.00 25.55 C ATOM 2089 C VAL B 67 11.716 -13.142 2.167 1.00 40.30 C ATOM 2090 O VAL B 67 12.511 -12.808 1.274 1.00 4.00 O ATOM 2091 CB VAL B 67 11.334 -15.501 1.220 1.00 71.43 C ATOM 2092 CG1 VAL B 67 12.468 -16.110 2.084 1.00 2.32 C ATOM 2093 CG2 VAL B 67 10.271 -16.573 0.862 1.00 34.11 C ATOM 0 H VAL B 67 9.650 -13.870 0.112 1.00 71.04 H new ATOM 0 HA VAL B 67 10.265 -14.585 2.881 1.00 25.55 H new ATOM 0 HB VAL B 67 11.788 -15.147 0.294 1.00 71.43 H new ATOM 0 HG11 VAL B 67 12.902 -16.964 1.565 1.00 2.32 H new ATOM 0 HG12 VAL B 67 13.239 -15.359 2.254 1.00 2.32 H new ATOM 0 HG13 VAL B 67 12.061 -16.436 3.041 1.00 2.32 H new ATOM 0 HG21 VAL B 67 10.757 -17.421 0.380 1.00 34.11 H new ATOM 0 HG22 VAL B 67 9.773 -16.909 1.771 1.00 34.11 H new ATOM 0 HG23 VAL B 67 9.535 -16.143 0.183 1.00 34.11 H new ATOM 2103 N VAL B 68 11.682 -12.544 3.371 1.00 54.53 N ATOM 2104 CA VAL B 68 12.588 -11.424 3.761 1.00 62.13 C ATOM 2105 C VAL B 68 13.534 -11.797 4.940 1.00 4.23 C ATOM 2106 O VAL B 68 14.632 -11.215 5.038 1.00 36.39 O ATOM 2107 CB VAL B 68 11.775 -10.123 4.121 1.00 1.04 C ATOM 2108 CG1 VAL B 68 11.028 -9.575 2.884 1.00 60.44 C ATOM 2109 CG2 VAL B 68 10.798 -10.359 5.302 1.00 0.42 C ATOM 2110 OXT VAL B 68 13.192 -12.688 5.745 1.00 36.39 O ATOM 0 H VAL B 68 11.030 -12.815 4.107 1.00 54.53 H new ATOM 0 HA VAL B 68 13.209 -11.226 2.888 1.00 62.13 H new ATOM 0 HB VAL B 68 12.496 -9.371 4.443 1.00 1.04 H new ATOM 0 HG11 VAL B 68 10.475 -8.677 3.161 1.00 60.44 H new ATOM 0 HG12 VAL B 68 11.748 -9.331 2.103 1.00 60.44 H new ATOM 0 HG13 VAL B 68 10.333 -10.329 2.515 1.00 60.44 H new ATOM 0 HG21 VAL B 68 10.258 -9.437 5.517 1.00 0.42 H new ATOM 0 HG22 VAL B 68 10.088 -11.142 5.036 1.00 0.42 H new ATOM 0 HG23 VAL B 68 11.361 -10.664 6.184 1.00 0.42 H new TER 2120 VAL B 68