USER MOD reduce.3.24.130724 H: found=0, std=0, add=861, rem=0, adj=34 USER MOD reduce.3.24.130724 removed 861 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 49 CYS SG : rot -63:sc= 1.02 USER MOD Set 1.2: A 54 SER OG : rot -75:sc= -0.207! USER MOD Single : A 1 MET CE :methyl 164:sc= -0.0908 (180deg=-0.44) USER MOD Single : A 1 MET N :NH3+ 129:sc= 0.0811 (180deg=-0.00827) USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 4 SER OG : rot 180:sc= 0 USER MOD Single : A 5 HIS : no HD1:sc= -0.0961 X(o=-0.096,f=0) USER MOD Single : A 6 HIS : no HD1:sc= -0.259 X(o=-0.26,f=-0.15) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 8 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 9 HIS : no HD1:sc= -0.249 X(o=-0.25,f=0) USER MOD Single : A 10 HIS : no HD1:sc= -0.177 X(o=-0.18,f=-0.39) USER MOD Single : A 11 SER OG : rot 180:sc= 0.038 USER MOD Single : A 12 SER OG : rot 180:sc= 0 USER MOD Single : A 16 ASN : amide:sc= -0.16 X(o=-0.16,f=-0.24) USER MOD Single : A 18 TYR OH : rot 180:sc= 0 USER MOD Single : A 20 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 22 HIS : no HE2:sc= -3.78! C(o=-3.8!,f=-7!) USER MOD Single : A 23 MET CE :methyl -164:sc= -0.071 (180deg=-0.419) USER MOD Single : A 24 CYS SG : rot 180:sc= 0 USER MOD Single : A 26 GLN : amide:sc= 0 K(o=0,f=-0.5) USER MOD Single : A 27 LYS NZ :NH3+ -149:sc= 2.46 (180deg=1.65) USER MOD Single : A 32 LYS NZ :NH3+ -139:sc= -0.526 (180deg=-2.98!) USER MOD Single : A 34 SER OG : rot 97:sc= 1.21 USER MOD Single : A 35 SER OG : rot 78:sc= 1.26 USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 40 THR OG1 : rot 5:sc= 0.909 USER MOD Single : A 47 LYS NZ :NH3+ -159:sc= 0.947 (180deg=0.909) USER MOD Single : A 48 SER OG : rot 180:sc= 0 USER MOD Single : A 51 CYS SG : rot 180:sc= 0.0173 USER MOD Single : A 53 THR OG1 : rot 180:sc= 0 USER MOD Single : A 61 SER OG : rot 118:sc= 1.69 USER MOD Single : A 62 ASN : amide:sc= -1.11 K(o=-1.1,f=-0.038) USER MOD Single : A 63 ASN : amide:sc= 0 X(o=0,f=-0.1) USER MOD Single : A 67 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 68 LYS NZ :NH3+ -156:sc= 1.01 (180deg=-0.837) USER MOD Single : A 73 HIS : no HD1:sc= -0.0132 X(o=-0.013,f=0) USER MOD Single : A 77 ASN : amide:sc= -0.659 K(o=-0.66,f=0) USER MOD Single : A 78 THR OG1 : rot 99:sc= 1.21 USER MOD Single : A 81 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 85 GLN : amide:sc= 0.176 X(o=0.18,f=-0.2) USER MOD Single : A 86 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 88 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 91 SER OG : rot -94:sc= 1.25 USER MOD Single : A 92 MET CE :methyl -157:sc= -0.114 (180deg=-0.645) USER MOD Single : A 93 LYS NZ :NH3+ -178:sc= 0.927 (180deg=0.822) USER MOD Single : A 94 CYS SG : rot 119:sc= 0.281 USER MOD Single : A 95 HIS : no HD1:sc= -0.4 X(o=-0.4,f=-0.16) USER MOD Single : A 96 THR OG1 : rot 180:sc= -0.926 USER MOD Single : A 100 TYR OH : rot 79:sc= 0.0973 USER MOD Single : A 102 LYS NZ :NH3+ -100:sc= 1.17 (180deg=0.522) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 105 SER OG : rot 180:sc= 0 USER MOD Single : A 106 LYS NZ :NH3+ 143:sc= -1.34 (180deg=-3.63!) USER MOD Single : A 108 SER OG : rot 180:sc= -0.0188 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 0.505 -12.796 -43.740 1.00 34.77 N ATOM 2 CA MET A 1 1.375 -12.823 -44.937 1.00 34.67 C ATOM 3 C MET A 1 2.178 -11.534 -45.037 1.00 34.12 C ATOM 4 O MET A 1 1.763 -10.496 -44.521 1.00 34.13 O ATOM 5 CB MET A 1 0.542 -13.014 -46.211 1.00 35.09 C ATOM 6 CG MET A 1 -0.424 -11.873 -46.498 1.00 35.29 C ATOM 7 SD MET A 1 -1.297 -12.074 -48.065 1.00 35.98 S ATOM 8 CE MET A 1 -2.213 -13.585 -47.760 1.00 36.14 C ATOM 0 H1 MET A 1 -0.469 -13.036 -44.014 1.00 34.77 H new ATOM 0 H2 MET A 1 0.850 -13.488 -43.045 1.00 34.77 H new ATOM 0 H3 MET A 1 0.522 -11.845 -43.320 1.00 34.77 H new ATOM 0 HA MET A 1 2.060 -13.665 -44.838 1.00 34.67 H new ATOM 0 HB2 MET A 1 1.216 -13.127 -47.060 1.00 35.09 H new ATOM 0 HB3 MET A 1 -0.023 -13.942 -46.127 1.00 35.09 H new ATOM 0 HG2 MET A 1 -1.151 -11.806 -45.688 1.00 35.29 H new ATOM 0 HG3 MET A 1 0.126 -10.932 -46.512 1.00 35.29 H new ATOM 0 HE1 MET A 1 -3.003 -13.688 -48.504 1.00 36.14 H new ATOM 0 HE2 MET A 1 -1.539 -14.439 -47.826 1.00 36.14 H new ATOM 0 HE3 MET A 1 -2.655 -13.548 -46.764 1.00 36.14 H new ATOM 20 N GLY A 2 3.324 -11.605 -45.698 1.00 33.70 N ATOM 21 CA GLY A 2 4.158 -10.436 -45.867 1.00 33.20 C ATOM 22 C GLY A 2 5.627 -10.762 -45.722 1.00 32.51 C ATOM 23 O GLY A 2 6.003 -11.935 -45.650 1.00 32.38 O ATOM 0 H GLY A 2 3.692 -12.457 -46.122 1.00 33.70 H new ATOM 0 HA2 GLY A 2 3.978 -10.002 -46.851 1.00 33.20 H new ATOM 0 HA3 GLY A 2 3.880 -9.682 -45.130 1.00 33.20 H new ATOM 27 N SER A 3 6.456 -9.732 -45.676 1.00 32.14 N ATOM 28 CA SER A 3 7.889 -9.911 -45.528 1.00 31.53 C ATOM 29 C SER A 3 8.269 -9.979 -44.053 1.00 30.66 C ATOM 30 O SER A 3 7.552 -9.466 -43.191 1.00 30.36 O ATOM 31 CB SER A 3 8.637 -8.766 -46.214 1.00 31.79 C ATOM 32 OG SER A 3 8.383 -8.759 -47.610 1.00 32.35 O ATOM 0 H SER A 3 6.158 -8.759 -45.740 1.00 32.14 H new ATOM 0 HA SER A 3 8.172 -10.851 -46.002 1.00 31.53 H new ATOM 0 HB2 SER A 3 8.330 -7.814 -45.780 1.00 31.79 H new ATOM 0 HB3 SER A 3 9.708 -8.867 -46.036 1.00 31.79 H new ATOM 0 HG SER A 3 8.870 -8.018 -48.027 1.00 32.35 H new ATOM 38 N SER A 4 9.399 -10.604 -43.762 1.00 30.35 N ATOM 39 CA SER A 4 9.838 -10.764 -42.389 1.00 29.61 C ATOM 40 C SER A 4 10.528 -9.489 -41.907 1.00 28.85 C ATOM 41 O SER A 4 11.754 -9.430 -41.785 1.00 28.81 O ATOM 42 CB SER A 4 10.770 -11.973 -42.260 1.00 29.84 C ATOM 43 OG SER A 4 10.916 -12.373 -40.906 1.00 30.38 O ATOM 0 H SER A 4 10.026 -11.007 -44.458 1.00 30.35 H new ATOM 0 HA SER A 4 8.966 -10.943 -41.759 1.00 29.61 H new ATOM 0 HB2 SER A 4 10.375 -12.803 -42.845 1.00 29.84 H new ATOM 0 HB3 SER A 4 11.747 -11.727 -42.676 1.00 29.84 H new ATOM 0 HG SER A 4 11.515 -13.147 -40.856 1.00 30.38 H new ATOM 49 N HIS A 5 9.729 -8.453 -41.682 1.00 28.34 N ATOM 50 CA HIS A 5 10.233 -7.173 -41.196 1.00 27.68 C ATOM 51 C HIS A 5 9.435 -6.708 -39.986 1.00 27.14 C ATOM 52 O HIS A 5 9.351 -5.515 -39.706 1.00 26.86 O ATOM 53 CB HIS A 5 10.174 -6.111 -42.301 1.00 27.51 C ATOM 54 CG HIS A 5 11.251 -6.249 -43.335 1.00 27.78 C ATOM 55 ND1 HIS A 5 11.053 -5.980 -44.671 1.00 27.73 N ATOM 56 CD2 HIS A 5 12.550 -6.603 -43.214 1.00 28.20 C ATOM 57 CE1 HIS A 5 12.184 -6.164 -45.326 1.00 28.10 C ATOM 58 NE2 HIS A 5 13.111 -6.542 -44.465 1.00 28.39 N ATOM 0 H HIS A 5 8.720 -8.475 -41.830 1.00 28.34 H new ATOM 0 HA HIS A 5 11.273 -7.311 -40.900 1.00 27.68 H new ATOM 0 HB2 HIS A 5 9.203 -6.166 -42.793 1.00 27.51 H new ATOM 0 HB3 HIS A 5 10.245 -5.123 -41.846 1.00 27.51 H new ATOM 0 HD2 HIS A 5 13.054 -6.883 -42.301 1.00 28.20 H new ATOM 0 HE1 HIS A 5 12.327 -6.028 -46.388 1.00 28.10 H new ATOM 0 HE2 HIS A 5 14.083 -6.754 -44.692 1.00 28.39 H new ATOM 67 N HIS A 6 8.877 -7.662 -39.251 1.00 27.11 N ATOM 68 CA HIS A 6 8.083 -7.353 -38.058 1.00 26.72 C ATOM 69 C HIS A 6 8.974 -7.101 -36.840 1.00 26.14 C ATOM 70 O HIS A 6 8.574 -7.347 -35.702 1.00 26.08 O ATOM 71 CB HIS A 6 7.074 -8.477 -37.759 1.00 27.14 C ATOM 72 CG HIS A 6 7.652 -9.868 -37.745 1.00 27.63 C ATOM 73 ND1 HIS A 6 7.077 -10.917 -38.428 1.00 27.73 N ATOM 74 CD2 HIS A 6 8.746 -10.381 -37.128 1.00 28.14 C ATOM 75 CE1 HIS A 6 7.789 -12.011 -38.236 1.00 28.29 C ATOM 76 NE2 HIS A 6 8.807 -11.713 -37.453 1.00 28.54 N ATOM 0 H HIS A 6 8.957 -8.658 -39.456 1.00 27.11 H new ATOM 0 HA HIS A 6 7.530 -6.437 -38.266 1.00 26.72 H new ATOM 0 HB2 HIS A 6 6.613 -8.282 -36.791 1.00 27.14 H new ATOM 0 HB3 HIS A 6 6.279 -8.438 -38.504 1.00 27.14 H new ATOM 0 HD2 HIS A 6 9.439 -9.842 -36.499 1.00 28.14 H new ATOM 0 HE1 HIS A 6 7.574 -12.985 -38.650 1.00 28.29 H new ATOM 0 HE2 HIS A 6 9.524 -12.367 -37.139 1.00 28.54 H new ATOM 85 N HIS A 7 10.167 -6.580 -37.083 1.00 25.80 N ATOM 86 CA HIS A 7 11.120 -6.313 -36.017 1.00 25.30 C ATOM 87 C HIS A 7 10.842 -4.951 -35.385 1.00 24.72 C ATOM 88 O HIS A 7 11.358 -3.931 -35.833 1.00 24.71 O ATOM 89 CB HIS A 7 12.554 -6.372 -36.563 1.00 25.34 C ATOM 90 CG HIS A 7 13.622 -6.137 -35.534 1.00 25.73 C ATOM 91 ND1 HIS A 7 14.591 -5.164 -35.664 1.00 25.90 N ATOM 92 CD2 HIS A 7 13.878 -6.763 -34.360 1.00 26.10 C ATOM 93 CE1 HIS A 7 15.395 -5.204 -34.617 1.00 26.34 C ATOM 94 NE2 HIS A 7 14.984 -6.164 -33.813 1.00 26.47 N ATOM 0 H HIS A 7 10.499 -6.332 -38.015 1.00 25.80 H new ATOM 0 HA HIS A 7 11.010 -7.077 -35.248 1.00 25.30 H new ATOM 0 HB2 HIS A 7 12.716 -7.348 -37.020 1.00 25.34 H new ATOM 0 HB3 HIS A 7 12.659 -5.629 -37.354 1.00 25.34 H new ATOM 0 HD2 HIS A 7 13.316 -7.581 -33.934 1.00 26.10 H new ATOM 0 HE1 HIS A 7 16.245 -4.559 -34.448 1.00 26.34 H new ATOM 0 HE2 HIS A 7 15.419 -6.420 -32.927 1.00 26.47 H new ATOM 103 N HIS A 8 10.001 -4.943 -34.360 1.00 24.34 N ATOM 104 CA HIS A 8 9.685 -3.716 -33.639 1.00 23.83 C ATOM 105 C HIS A 8 9.850 -3.931 -32.141 1.00 23.17 C ATOM 106 O HIS A 8 9.483 -4.983 -31.612 1.00 23.09 O ATOM 107 CB HIS A 8 8.268 -3.212 -33.971 1.00 23.99 C ATOM 108 CG HIS A 8 7.180 -4.238 -33.827 1.00 24.04 C ATOM 109 ND1 HIS A 8 6.680 -4.952 -34.893 1.00 24.18 N ATOM 110 CD2 HIS A 8 6.478 -4.651 -32.743 1.00 24.09 C ATOM 111 CE1 HIS A 8 5.724 -5.758 -34.475 1.00 24.31 C ATOM 112 NE2 HIS A 8 5.579 -5.596 -33.173 1.00 24.25 N ATOM 0 H HIS A 8 9.524 -5.773 -34.008 1.00 24.34 H new ATOM 0 HA HIS A 8 10.385 -2.945 -33.961 1.00 23.83 H new ATOM 0 HB2 HIS A 8 8.038 -2.367 -33.322 1.00 23.99 H new ATOM 0 HB3 HIS A 8 8.262 -2.839 -34.995 1.00 23.99 H new ATOM 0 HD2 HIS A 8 6.603 -4.301 -31.729 1.00 24.09 H new ATOM 0 HE1 HIS A 8 5.155 -6.436 -35.094 1.00 24.31 H new ATOM 0 HE2 HIS A 8 4.910 -6.091 -32.584 1.00 24.25 H new ATOM 121 N HIS A 9 10.403 -2.935 -31.467 1.00 22.79 N ATOM 122 CA HIS A 9 10.747 -3.055 -30.056 1.00 22.26 C ATOM 123 C HIS A 9 9.804 -2.223 -29.192 1.00 21.56 C ATOM 124 O HIS A 9 9.710 -1.008 -29.357 1.00 21.72 O ATOM 125 CB HIS A 9 12.198 -2.604 -29.843 1.00 22.51 C ATOM 126 CG HIS A 9 12.723 -2.838 -28.456 1.00 22.98 C ATOM 127 ND1 HIS A 9 13.452 -3.949 -28.110 1.00 23.33 N ATOM 128 CD2 HIS A 9 12.629 -2.090 -27.332 1.00 23.25 C ATOM 129 CE1 HIS A 9 13.783 -3.879 -26.836 1.00 23.80 C ATOM 130 NE2 HIS A 9 13.296 -2.760 -26.336 1.00 23.76 N ATOM 0 H HIS A 9 10.625 -2.028 -31.877 1.00 22.79 H new ATOM 0 HA HIS A 9 10.643 -4.098 -29.758 1.00 22.26 H new ATOM 0 HB2 HIS A 9 12.837 -3.129 -30.553 1.00 22.51 H new ATOM 0 HB3 HIS A 9 12.273 -1.541 -30.072 1.00 22.51 H new ATOM 0 HD2 HIS A 9 12.123 -1.141 -27.236 1.00 23.25 H new ATOM 0 HE1 HIS A 9 14.357 -4.615 -26.293 1.00 23.80 H new ATOM 0 HE2 HIS A 9 13.398 -2.445 -25.371 1.00 23.76 H new ATOM 139 N HIS A 10 9.112 -2.880 -28.273 1.00 20.90 N ATOM 140 CA HIS A 10 8.236 -2.185 -27.338 1.00 20.28 C ATOM 141 C HIS A 10 8.983 -1.964 -26.024 1.00 19.70 C ATOM 142 O HIS A 10 9.043 -2.851 -25.175 1.00 19.62 O ATOM 143 CB HIS A 10 6.948 -2.991 -27.105 1.00 20.26 C ATOM 144 CG HIS A 10 5.872 -2.246 -26.365 1.00 20.06 C ATOM 145 ND1 HIS A 10 4.571 -2.688 -26.292 1.00 19.78 N ATOM 146 CD2 HIS A 10 5.906 -1.088 -25.662 1.00 20.24 C ATOM 147 CE1 HIS A 10 3.856 -1.838 -25.582 1.00 19.80 C ATOM 148 NE2 HIS A 10 4.641 -0.857 -25.183 1.00 20.08 N ATOM 0 H HIS A 10 9.139 -3.893 -28.154 1.00 20.90 H new ATOM 0 HA HIS A 10 7.952 -1.219 -27.756 1.00 20.28 H new ATOM 0 HB2 HIS A 10 6.554 -3.309 -28.070 1.00 20.26 H new ATOM 0 HB3 HIS A 10 7.196 -3.895 -26.548 1.00 20.26 H new ATOM 0 HD2 HIS A 10 6.771 -0.461 -25.507 1.00 20.24 H new ATOM 0 HE1 HIS A 10 2.802 -1.930 -25.364 1.00 19.80 H new ATOM 0 HE2 HIS A 10 4.356 -0.060 -24.614 1.00 20.08 H new ATOM 157 N SER A 11 9.567 -0.785 -25.879 1.00 19.43 N ATOM 158 CA SER A 11 10.410 -0.480 -24.732 1.00 19.01 C ATOM 159 C SER A 11 9.595 -0.040 -23.516 1.00 18.01 C ATOM 160 O SER A 11 9.653 -0.672 -22.459 1.00 18.01 O ATOM 161 CB SER A 11 11.410 0.604 -25.121 1.00 19.28 C ATOM 162 OG SER A 11 10.762 1.652 -25.824 1.00 19.89 O ATOM 0 H SER A 11 9.472 -0.019 -26.546 1.00 19.43 H new ATOM 0 HA SER A 11 10.937 -1.390 -24.447 1.00 19.01 H new ATOM 0 HB2 SER A 11 11.890 1.001 -24.227 1.00 19.28 H new ATOM 0 HB3 SER A 11 12.197 0.175 -25.741 1.00 19.28 H new ATOM 0 HG SER A 11 11.418 2.339 -26.064 1.00 19.89 H new ATOM 168 N SER A 12 8.853 1.046 -23.661 1.00 17.26 N ATOM 169 CA SER A 12 8.085 1.593 -22.552 1.00 16.34 C ATOM 170 C SER A 12 6.769 0.840 -22.374 1.00 16.15 C ATOM 171 O SER A 12 5.863 0.942 -23.204 1.00 16.20 O ATOM 172 CB SER A 12 7.818 3.084 -22.777 1.00 15.87 C ATOM 173 OG SER A 12 7.220 3.677 -21.637 1.00 15.96 O ATOM 0 H SER A 12 8.766 1.566 -24.534 1.00 17.26 H new ATOM 0 HA SER A 12 8.670 1.473 -21.640 1.00 16.34 H new ATOM 0 HB2 SER A 12 8.754 3.593 -23.006 1.00 15.87 H new ATOM 0 HB3 SER A 12 7.166 3.213 -23.641 1.00 15.87 H new ATOM 0 HG SER A 12 7.062 4.629 -21.808 1.00 15.96 H new ATOM 179 N GLY A 13 6.686 0.058 -21.305 1.00 16.12 N ATOM 180 CA GLY A 13 5.458 -0.640 -20.987 1.00 16.13 C ATOM 181 C GLY A 13 5.305 -0.890 -19.500 1.00 16.30 C ATOM 182 O GLY A 13 4.416 -1.625 -19.073 1.00 16.67 O ATOM 0 H GLY A 13 7.451 -0.105 -20.651 1.00 16.12 H new ATOM 0 HA2 GLY A 13 4.609 -0.057 -21.344 1.00 16.13 H new ATOM 0 HA3 GLY A 13 5.437 -1.592 -21.517 1.00 16.13 H new ATOM 186 N ARG A 14 6.165 -0.266 -18.706 1.00 16.15 N ATOM 187 CA ARG A 14 6.154 -0.470 -17.263 1.00 16.46 C ATOM 188 C ARG A 14 5.406 0.662 -16.556 1.00 15.51 C ATOM 189 O ARG A 14 4.851 0.476 -15.475 1.00 15.72 O ATOM 190 CB ARG A 14 7.593 -0.549 -16.736 1.00 17.13 C ATOM 191 CG ARG A 14 8.304 0.798 -16.696 1.00 17.25 C ATOM 192 CD ARG A 14 9.788 0.650 -16.419 1.00 17.95 C ATOM 193 NE ARG A 14 10.531 0.255 -17.613 1.00 18.07 N ATOM 194 CZ ARG A 14 11.659 -0.450 -17.597 1.00 18.64 C ATOM 195 NH1 ARG A 14 12.159 -0.892 -16.448 1.00 19.13 N ATOM 196 NH2 ARG A 14 12.285 -0.708 -18.734 1.00 18.84 N ATOM 0 H ARG A 14 6.878 0.385 -19.036 1.00 16.15 H new ATOM 0 HA ARG A 14 5.638 -1.407 -17.054 1.00 16.46 H new ATOM 0 HB2 ARG A 14 7.580 -0.973 -15.732 1.00 17.13 H new ATOM 0 HB3 ARG A 14 8.164 -1.233 -17.364 1.00 17.13 H new ATOM 0 HG2 ARG A 14 8.162 1.311 -17.647 1.00 17.25 H new ATOM 0 HG3 ARG A 14 7.852 1.424 -15.926 1.00 17.25 H new ATOM 0 HD2 ARG A 14 10.182 1.594 -16.042 1.00 17.95 H new ATOM 0 HD3 ARG A 14 9.938 -0.093 -15.636 1.00 17.95 H new ATOM 0 HE ARG A 14 10.160 0.539 -18.520 1.00 18.07 H new ATOM 0 HH11 ARG A 14 11.678 -0.691 -15.571 1.00 19.13 H new ATOM 0 HH12 ARG A 14 13.024 -1.432 -16.443 1.00 19.13 H new ATOM 0 HH21 ARG A 14 11.902 -0.367 -19.616 1.00 18.84 H new ATOM 0 HH22 ARG A 14 13.150 -1.248 -18.729 1.00 18.84 H new ATOM 210 N GLU A 15 5.374 1.827 -17.188 1.00 14.57 N ATOM 211 CA GLU A 15 4.872 3.034 -16.545 1.00 13.69 C ATOM 212 C GLU A 15 3.687 3.626 -17.300 1.00 12.97 C ATOM 213 O GLU A 15 3.368 4.805 -17.151 1.00 12.15 O ATOM 214 CB GLU A 15 6.008 4.052 -16.435 1.00 13.29 C ATOM 215 CG GLU A 15 6.764 4.254 -17.738 1.00 13.12 C ATOM 216 CD GLU A 15 8.063 5.006 -17.548 1.00 13.58 C ATOM 217 OE1 GLU A 15 9.051 4.391 -17.089 1.00 14.07 O ATOM 218 OE2 GLU A 15 8.106 6.212 -17.858 1.00 13.59 O ATOM 0 H GLU A 15 5.691 1.962 -18.148 1.00 14.57 H new ATOM 0 HA GLU A 15 4.515 2.774 -15.549 1.00 13.69 H new ATOM 0 HB2 GLU A 15 5.599 5.008 -16.109 1.00 13.29 H new ATOM 0 HB3 GLU A 15 6.707 3.724 -15.665 1.00 13.29 H new ATOM 0 HG2 GLU A 15 6.973 3.283 -18.186 1.00 13.12 H new ATOM 0 HG3 GLU A 15 6.132 4.799 -18.439 1.00 13.12 H new ATOM 225 N ASN A 16 3.004 2.791 -18.075 1.00 13.44 N ATOM 226 CA ASN A 16 1.839 3.242 -18.840 1.00 13.06 C ATOM 227 C ASN A 16 0.631 3.429 -17.930 1.00 13.07 C ATOM 228 O ASN A 16 -0.444 3.824 -18.382 1.00 12.89 O ATOM 229 CB ASN A 16 1.487 2.252 -19.957 1.00 13.83 C ATOM 230 CG ASN A 16 1.074 0.888 -19.432 1.00 14.84 C ATOM 231 OD1 ASN A 16 -0.083 0.666 -19.072 1.00 15.24 O ATOM 232 ND2 ASN A 16 2.011 -0.045 -19.415 1.00 15.40 N ATOM 0 H ASN A 16 3.232 1.804 -18.192 1.00 13.44 H new ATOM 0 HA ASN A 16 2.101 4.199 -19.291 1.00 13.06 H new ATOM 0 HB2 ASN A 16 0.677 2.664 -20.559 1.00 13.83 H new ATOM 0 HB3 ASN A 16 2.347 2.136 -20.617 1.00 13.83 H new ATOM 0 HD21 ASN A 16 1.787 -0.987 -19.096 1.00 15.40 H new ATOM 0 HD22 ASN A 16 2.958 0.178 -19.721 1.00 15.40 H new ATOM 239 N LEU A 17 0.815 3.141 -16.647 1.00 13.46 N ATOM 240 CA LEU A 17 -0.254 3.270 -15.666 1.00 13.68 C ATOM 241 C LEU A 17 -0.369 4.712 -15.186 1.00 12.77 C ATOM 242 O LEU A 17 -1.388 5.115 -14.625 1.00 12.88 O ATOM 243 CB LEU A 17 0.008 2.344 -14.475 1.00 14.64 C ATOM 244 CG LEU A 17 0.163 0.861 -14.820 1.00 15.73 C ATOM 245 CD1 LEU A 17 0.453 0.053 -13.566 1.00 16.13 C ATOM 246 CD2 LEU A 17 -1.087 0.338 -15.514 1.00 16.35 C ATOM 0 H LEU A 17 1.701 2.815 -16.261 1.00 13.46 H new ATOM 0 HA LEU A 17 -1.193 2.984 -16.140 1.00 13.68 H new ATOM 0 HB2 LEU A 17 0.913 2.679 -13.968 1.00 14.64 H new ATOM 0 HB3 LEU A 17 -0.813 2.451 -13.766 1.00 14.64 H new ATOM 0 HG LEU A 17 1.005 0.753 -15.504 1.00 15.73 H new ATOM 0 HD11 LEU A 17 0.561 -1.000 -13.828 1.00 16.13 H new ATOM 0 HD12 LEU A 17 1.376 0.409 -13.109 1.00 16.13 H new ATOM 0 HD13 LEU A 17 -0.369 0.169 -12.860 1.00 16.13 H new ATOM 0 HD21 LEU A 17 -0.957 -0.718 -15.751 1.00 16.35 H new ATOM 0 HD22 LEU A 17 -1.947 0.459 -14.855 1.00 16.35 H new ATOM 0 HD23 LEU A 17 -1.254 0.898 -16.434 1.00 16.35 H new ATOM 258 N TYR A 18 0.683 5.487 -15.413 1.00 12.00 N ATOM 259 CA TYR A 18 0.718 6.872 -14.980 1.00 11.22 C ATOM 260 C TYR A 18 0.435 7.798 -16.155 1.00 10.27 C ATOM 261 O TYR A 18 1.251 7.929 -17.069 1.00 9.92 O ATOM 262 CB TYR A 18 2.078 7.201 -14.355 1.00 11.19 C ATOM 263 CG TYR A 18 2.412 6.340 -13.156 1.00 12.23 C ATOM 264 CD1 TYR A 18 1.964 6.682 -11.886 1.00 12.64 C ATOM 265 CD2 TYR A 18 3.169 5.183 -13.296 1.00 12.95 C ATOM 266 CE1 TYR A 18 2.261 5.894 -10.790 1.00 13.68 C ATOM 267 CE2 TYR A 18 3.469 4.392 -12.205 1.00 13.98 C ATOM 268 CZ TYR A 18 3.013 4.751 -10.954 1.00 14.32 C ATOM 269 OH TYR A 18 3.306 3.961 -9.865 1.00 15.41 O ATOM 0 H TYR A 18 1.525 5.176 -15.897 1.00 12.00 H new ATOM 0 HA TYR A 18 -0.054 7.022 -14.225 1.00 11.22 H new ATOM 0 HB2 TYR A 18 2.855 7.078 -15.109 1.00 11.19 H new ATOM 0 HB3 TYR A 18 2.088 8.249 -14.055 1.00 11.19 H new ATOM 0 HD1 TYR A 18 1.375 7.577 -11.753 1.00 12.64 H new ATOM 0 HD2 TYR A 18 3.528 4.898 -14.274 1.00 12.95 H new ATOM 0 HE1 TYR A 18 1.905 6.173 -9.809 1.00 13.68 H new ATOM 0 HE2 TYR A 18 4.058 3.496 -12.331 1.00 13.98 H new ATOM 0 HH TYR A 18 3.843 3.193 -10.153 1.00 15.41 H new ATOM 279 N PHE A 19 -0.732 8.433 -16.128 1.00 10.05 N ATOM 280 CA PHE A 19 -1.156 9.310 -17.215 1.00 9.38 C ATOM 281 C PHE A 19 -0.280 10.556 -17.281 1.00 8.44 C ATOM 282 O PHE A 19 -0.126 11.160 -18.341 1.00 7.95 O ATOM 283 CB PHE A 19 -2.632 9.704 -17.051 1.00 9.94 C ATOM 284 CG PHE A 19 -2.938 10.451 -15.779 1.00 10.27 C ATOM 285 CD1 PHE A 19 -3.273 9.766 -14.622 1.00 10.88 C ATOM 286 CD2 PHE A 19 -2.894 11.837 -15.742 1.00 10.22 C ATOM 287 CE1 PHE A 19 -3.557 10.446 -13.453 1.00 11.39 C ATOM 288 CE2 PHE A 19 -3.177 12.523 -14.577 1.00 10.77 C ATOM 289 CZ PHE A 19 -3.508 11.826 -13.431 1.00 11.34 C ATOM 0 H PHE A 19 -1.403 8.357 -15.364 1.00 10.05 H new ATOM 0 HA PHE A 19 -1.045 8.762 -18.151 1.00 9.38 H new ATOM 0 HB2 PHE A 19 -2.928 10.320 -17.900 1.00 9.94 H new ATOM 0 HB3 PHE A 19 -3.242 8.802 -17.084 1.00 9.94 H new ATOM 0 HD1 PHE A 19 -3.313 8.687 -14.634 1.00 10.88 H new ATOM 0 HD2 PHE A 19 -2.635 12.386 -16.635 1.00 10.22 H new ATOM 0 HE1 PHE A 19 -3.817 9.899 -12.558 1.00 11.39 H new ATOM 0 HE2 PHE A 19 -3.140 13.602 -14.562 1.00 10.77 H new ATOM 0 HZ PHE A 19 -3.728 12.360 -12.518 1.00 11.34 H new ATOM 299 N GLN A 20 0.320 10.897 -16.146 1.00 8.42 N ATOM 300 CA GLN A 20 1.131 12.104 -16.016 1.00 7.85 C ATOM 301 C GLN A 20 2.314 12.105 -16.981 1.00 7.07 C ATOM 302 O GLN A 20 2.831 13.163 -17.337 1.00 7.05 O ATOM 303 CB GLN A 20 1.637 12.237 -14.585 1.00 8.59 C ATOM 304 CG GLN A 20 0.527 12.458 -13.576 1.00 9.58 C ATOM 305 CD GLN A 20 0.986 12.213 -12.159 1.00 10.21 C ATOM 306 OE1 GLN A 20 1.436 13.123 -11.462 1.00 10.77 O ATOM 307 NE2 GLN A 20 0.888 10.969 -11.733 1.00 10.35 N ATOM 0 H GLN A 20 0.259 10.346 -15.290 1.00 8.42 H new ATOM 0 HA GLN A 20 0.496 12.954 -16.267 1.00 7.85 H new ATOM 0 HB2 GLN A 20 2.189 11.336 -14.317 1.00 8.59 H new ATOM 0 HB3 GLN A 20 2.339 13.069 -14.531 1.00 8.59 H new ATOM 0 HG2 GLN A 20 0.156 13.479 -13.664 1.00 9.58 H new ATOM 0 HG3 GLN A 20 -0.307 11.795 -13.805 1.00 9.58 H new ATOM 0 HE21 GLN A 20 0.508 10.248 -12.347 1.00 10.35 H new ATOM 0 HE22 GLN A 20 1.192 10.728 -10.790 1.00 10.35 H new ATOM 316 N GLY A 21 2.733 10.919 -17.406 1.00 6.73 N ATOM 317 CA GLY A 21 3.903 10.806 -18.256 1.00 6.33 C ATOM 318 C GLY A 21 3.568 10.720 -19.734 1.00 5.42 C ATOM 319 O GLY A 21 4.389 10.270 -20.530 1.00 5.50 O ATOM 0 H GLY A 21 2.283 10.033 -17.177 1.00 6.73 H new ATOM 0 HA2 GLY A 21 4.550 11.667 -18.087 1.00 6.33 H new ATOM 0 HA3 GLY A 21 4.469 9.920 -17.967 1.00 6.33 H new ATOM 323 N HIS A 22 2.362 11.136 -20.107 1.00 4.89 N ATOM 324 CA HIS A 22 1.968 11.146 -21.513 1.00 4.23 C ATOM 325 C HIS A 22 0.804 12.105 -21.754 1.00 3.24 C ATOM 326 O HIS A 22 -0.292 11.699 -22.144 1.00 3.42 O ATOM 327 CB HIS A 22 1.627 9.726 -22.015 1.00 4.82 C ATOM 328 CG HIS A 22 0.559 9.004 -21.234 1.00 5.13 C ATOM 329 ND1 HIS A 22 -0.790 9.193 -21.448 1.00 5.51 N ATOM 330 CD2 HIS A 22 0.651 8.062 -20.263 1.00 5.53 C ATOM 331 CE1 HIS A 22 -1.479 8.405 -20.647 1.00 6.05 C ATOM 332 NE2 HIS A 22 -0.631 7.708 -19.919 1.00 6.08 N ATOM 0 H HIS A 22 1.645 11.468 -19.462 1.00 4.89 H new ATOM 0 HA HIS A 22 2.822 11.504 -22.088 1.00 4.23 H new ATOM 0 HB2 HIS A 22 1.310 9.793 -23.056 1.00 4.82 H new ATOM 0 HB3 HIS A 22 2.536 9.125 -21.997 1.00 4.82 H new ATOM 0 HD1 HIS A 22 -1.193 9.843 -22.123 1.00 5.51 H new ATOM 0 HD2 HIS A 22 1.562 7.665 -19.839 1.00 5.53 H new ATOM 0 HE1 HIS A 22 -2.556 8.342 -20.596 1.00 6.05 H new ATOM 341 N MET A 23 1.051 13.386 -21.535 1.00 2.70 N ATOM 342 CA MET A 23 0.008 14.394 -21.678 1.00 2.18 C ATOM 343 C MET A 23 -0.055 14.912 -23.113 1.00 1.83 C ATOM 344 O MET A 23 -0.986 15.625 -23.486 1.00 2.36 O ATOM 345 CB MET A 23 0.251 15.558 -20.712 1.00 2.61 C ATOM 346 CG MET A 23 0.374 15.127 -19.258 1.00 2.99 C ATOM 347 SD MET A 23 -1.085 14.250 -18.658 1.00 3.68 S ATOM 348 CE MET A 23 -2.343 15.510 -18.840 1.00 4.41 C ATOM 0 H MET A 23 1.961 13.754 -21.258 1.00 2.70 H new ATOM 0 HA MET A 23 -0.947 13.927 -21.436 1.00 2.18 H new ATOM 0 HB2 MET A 23 1.162 16.079 -21.006 1.00 2.61 H new ATOM 0 HB3 MET A 23 -0.568 16.272 -20.803 1.00 2.61 H new ATOM 0 HG2 MET A 23 1.248 14.485 -19.147 1.00 2.99 H new ATOM 0 HG3 MET A 23 0.544 16.007 -18.637 1.00 2.99 H new ATOM 0 HE1 MET A 23 -3.223 15.232 -18.260 1.00 4.41 H new ATOM 0 HE2 MET A 23 -1.957 16.464 -18.480 1.00 4.41 H new ATOM 0 HE3 MET A 23 -2.616 15.603 -19.891 1.00 4.41 H new ATOM 358 N CYS A 24 0.937 14.547 -23.913 1.00 1.24 N ATOM 359 CA CYS A 24 1.005 14.991 -25.299 1.00 0.95 C ATOM 360 C CYS A 24 0.284 14.018 -26.227 1.00 0.84 C ATOM 361 O CYS A 24 0.885 13.075 -26.758 1.00 0.77 O ATOM 362 CB CYS A 24 2.463 15.154 -25.725 1.00 0.99 C ATOM 363 SG CYS A 24 3.389 16.319 -24.701 1.00 1.71 S ATOM 0 H CYS A 24 1.707 13.943 -23.626 1.00 1.24 H new ATOM 0 HA CYS A 24 0.503 15.956 -25.373 1.00 0.95 H new ATOM 0 HB2 CYS A 24 2.954 14.182 -25.689 1.00 0.99 H new ATOM 0 HB3 CYS A 24 2.495 15.489 -26.762 1.00 0.99 H new ATOM 0 HG CYS A 24 4.614 16.395 -25.130 1.00 1.71 H new ATOM 369 N ILE A 25 -1.010 14.245 -26.413 1.00 0.89 N ATOM 370 CA ILE A 25 -1.823 13.364 -27.235 1.00 0.88 C ATOM 371 C ILE A 25 -1.411 13.439 -28.707 1.00 0.74 C ATOM 372 O ILE A 25 -1.416 12.424 -29.404 1.00 0.71 O ATOM 373 CB ILE A 25 -3.337 13.663 -27.093 1.00 1.05 C ATOM 374 CG1 ILE A 25 -4.146 12.695 -27.965 1.00 1.11 C ATOM 375 CG2 ILE A 25 -3.647 15.111 -27.454 1.00 1.09 C ATOM 376 CD1 ILE A 25 -5.643 12.874 -27.868 1.00 1.37 C ATOM 0 H ILE A 25 -1.517 15.031 -26.006 1.00 0.89 H new ATOM 0 HA ILE A 25 -1.646 12.352 -26.871 1.00 0.88 H new ATOM 0 HB ILE A 25 -3.623 13.517 -26.051 1.00 1.05 H new ATOM 0 HG12 ILE A 25 -3.843 12.821 -29.004 1.00 1.11 H new ATOM 0 HG13 ILE A 25 -3.895 11.673 -27.682 1.00 1.11 H new ATOM 0 HG21 ILE A 25 -4.716 15.292 -27.345 1.00 1.09 H new ATOM 0 HG22 ILE A 25 -3.097 15.777 -26.790 1.00 1.09 H new ATOM 0 HG23 ILE A 25 -3.350 15.300 -28.486 1.00 1.09 H new ATOM 0 HD11 ILE A 25 -6.139 12.151 -28.515 1.00 1.37 H new ATOM 0 HD12 ILE A 25 -5.962 12.717 -26.838 1.00 1.37 H new ATOM 0 HD13 ILE A 25 -5.910 13.883 -28.181 1.00 1.37 H new ATOM 388 N GLN A 26 -1.024 14.627 -29.174 1.00 0.69 N ATOM 389 CA GLN A 26 -0.615 14.784 -30.565 1.00 0.64 C ATOM 390 C GLN A 26 0.610 13.929 -30.850 1.00 0.56 C ATOM 391 O GLN A 26 0.730 13.350 -31.923 1.00 0.59 O ATOM 392 CB GLN A 26 -0.324 16.249 -30.916 1.00 0.70 C ATOM 393 CG GLN A 26 -0.020 16.454 -32.398 1.00 0.80 C ATOM 394 CD GLN A 26 0.292 17.894 -32.757 1.00 1.23 C ATOM 395 OE1 GLN A 26 -0.194 18.827 -32.120 1.00 1.75 O ATOM 396 NE2 GLN A 26 1.097 18.083 -33.795 1.00 1.54 N ATOM 0 H GLN A 26 -0.986 15.481 -28.617 1.00 0.69 H new ATOM 0 HA GLN A 26 -1.445 14.453 -31.189 1.00 0.64 H new ATOM 0 HB2 GLN A 26 -1.182 16.862 -30.638 1.00 0.70 H new ATOM 0 HB3 GLN A 26 0.522 16.598 -30.325 1.00 0.70 H new ATOM 0 HG2 GLN A 26 0.826 15.826 -32.678 1.00 0.80 H new ATOM 0 HG3 GLN A 26 -0.874 16.118 -32.986 1.00 0.80 H new ATOM 0 HE21 GLN A 26 1.479 17.281 -34.297 1.00 1.54 H new ATOM 0 HE22 GLN A 26 1.334 19.030 -34.091 1.00 1.54 H new ATOM 405 N LYS A 27 1.502 13.832 -29.872 1.00 0.56 N ATOM 406 CA LYS A 27 2.704 13.018 -30.019 1.00 0.60 C ATOM 407 C LYS A 27 2.338 11.542 -30.138 1.00 0.58 C ATOM 408 O LYS A 27 2.868 10.837 -30.997 1.00 0.58 O ATOM 409 CB LYS A 27 3.664 13.259 -28.843 1.00 0.75 C ATOM 410 CG LYS A 27 4.783 12.224 -28.709 1.00 1.27 C ATOM 411 CD LYS A 27 5.556 12.024 -30.009 1.00 1.53 C ATOM 412 CE LYS A 27 6.369 13.245 -30.401 1.00 1.93 C ATOM 413 NZ LYS A 27 7.025 13.056 -31.720 1.00 2.50 N ATOM 0 H LYS A 27 1.417 14.304 -28.972 1.00 0.56 H new ATOM 0 HA LYS A 27 3.215 13.312 -30.936 1.00 0.60 H new ATOM 0 HB2 LYS A 27 4.112 14.246 -28.954 1.00 0.75 H new ATOM 0 HB3 LYS A 27 3.088 13.273 -27.918 1.00 0.75 H new ATOM 0 HG2 LYS A 27 5.472 12.539 -27.926 1.00 1.27 H new ATOM 0 HG3 LYS A 27 4.356 11.272 -28.394 1.00 1.27 H new ATOM 0 HD2 LYS A 27 6.222 11.168 -29.903 1.00 1.53 H new ATOM 0 HD3 LYS A 27 4.856 11.786 -30.810 1.00 1.53 H new ATOM 0 HE2 LYS A 27 5.720 14.120 -30.437 1.00 1.93 H new ATOM 0 HE3 LYS A 27 7.125 13.440 -29.641 1.00 1.93 H new ATOM 0 HZ1 LYS A 27 7.921 13.583 -31.741 1.00 2.50 H new ATOM 0 HZ2 LYS A 27 7.214 12.045 -31.872 1.00 2.50 H new ATOM 0 HZ3 LYS A 27 6.399 13.408 -32.473 1.00 2.50 H new ATOM 427 N VAL A 28 1.424 11.084 -29.288 1.00 0.62 N ATOM 428 CA VAL A 28 0.975 9.693 -29.328 1.00 0.68 C ATOM 429 C VAL A 28 0.475 9.319 -30.728 1.00 0.62 C ATOM 430 O VAL A 28 0.954 8.355 -31.336 1.00 0.62 O ATOM 431 CB VAL A 28 -0.145 9.429 -28.295 1.00 0.77 C ATOM 432 CG1 VAL A 28 -0.585 7.973 -28.336 1.00 1.03 C ATOM 433 CG2 VAL A 28 0.320 9.807 -26.897 1.00 1.04 C ATOM 0 H VAL A 28 0.980 11.651 -28.566 1.00 0.62 H new ATOM 0 HA VAL A 28 1.835 9.072 -29.076 1.00 0.68 H new ATOM 0 HB VAL A 28 -1.002 10.051 -28.554 1.00 0.77 H new ATOM 0 HG11 VAL A 28 -1.373 7.810 -27.601 1.00 1.03 H new ATOM 0 HG12 VAL A 28 -0.961 7.735 -29.331 1.00 1.03 H new ATOM 0 HG13 VAL A 28 0.264 7.330 -28.105 1.00 1.03 H new ATOM 0 HG21 VAL A 28 -0.481 9.615 -26.183 1.00 1.04 H new ATOM 0 HG22 VAL A 28 1.194 9.212 -26.631 1.00 1.04 H new ATOM 0 HG23 VAL A 28 0.580 10.865 -26.874 1.00 1.04 H new ATOM 443 N ILE A 29 -0.468 10.103 -31.239 1.00 0.60 N ATOM 444 CA ILE A 29 -1.017 9.876 -32.572 1.00 0.57 C ATOM 445 C ILE A 29 0.070 10.005 -33.642 1.00 0.52 C ATOM 446 O ILE A 29 0.301 9.077 -34.420 1.00 0.51 O ATOM 447 CB ILE A 29 -2.177 10.866 -32.884 1.00 0.62 C ATOM 448 CG1 ILE A 29 -3.483 10.424 -32.210 1.00 0.75 C ATOM 449 CG2 ILE A 29 -2.393 11.005 -34.385 1.00 0.67 C ATOM 450 CD1 ILE A 29 -3.447 10.435 -30.698 1.00 0.79 C ATOM 0 H ILE A 29 -0.869 10.903 -30.750 1.00 0.60 H new ATOM 0 HA ILE A 29 -1.413 8.860 -32.588 1.00 0.57 H new ATOM 0 HB ILE A 29 -1.888 11.837 -32.481 1.00 0.62 H new ATOM 0 HG12 ILE A 29 -4.289 11.077 -32.546 1.00 0.75 H new ATOM 0 HG13 ILE A 29 -3.728 9.417 -32.547 1.00 0.75 H new ATOM 0 HG21 ILE A 29 -3.209 11.703 -34.572 1.00 0.67 H new ATOM 0 HG22 ILE A 29 -1.481 11.380 -34.851 1.00 0.67 H new ATOM 0 HG23 ILE A 29 -2.643 10.032 -34.808 1.00 0.67 H new ATOM 0 HD11 ILE A 29 -4.411 10.109 -30.309 1.00 0.79 H new ATOM 0 HD12 ILE A 29 -2.667 9.759 -30.348 1.00 0.79 H new ATOM 0 HD13 ILE A 29 -3.237 11.445 -30.346 1.00 0.79 H new ATOM 462 N GLU A 30 0.758 11.144 -33.641 1.00 0.53 N ATOM 463 CA GLU A 30 1.748 11.466 -34.665 1.00 0.55 C ATOM 464 C GLU A 30 2.816 10.387 -34.778 1.00 0.55 C ATOM 465 O GLU A 30 3.065 9.859 -35.859 1.00 0.58 O ATOM 466 CB GLU A 30 2.421 12.801 -34.340 1.00 0.64 C ATOM 467 CG GLU A 30 3.575 13.150 -35.265 1.00 0.99 C ATOM 468 CD GLU A 30 4.677 13.902 -34.549 1.00 1.49 C ATOM 469 OE1 GLU A 30 5.449 13.259 -33.807 1.00 1.84 O ATOM 470 OE2 GLU A 30 4.794 15.128 -34.733 1.00 2.20 O ATOM 0 H GLU A 30 0.645 11.868 -32.932 1.00 0.53 H new ATOM 0 HA GLU A 30 1.222 11.530 -35.618 1.00 0.55 H new ATOM 0 HB2 GLU A 30 1.675 13.594 -34.390 1.00 0.64 H new ATOM 0 HB3 GLU A 30 2.787 12.772 -33.314 1.00 0.64 H new ATOM 0 HG2 GLU A 30 3.982 12.235 -35.695 1.00 0.99 H new ATOM 0 HG3 GLU A 30 3.204 13.754 -36.093 1.00 0.99 H new ATOM 477 N ASP A 31 3.424 10.040 -33.654 1.00 0.57 N ATOM 478 CA ASP A 31 4.590 9.174 -33.679 1.00 0.64 C ATOM 479 C ASP A 31 4.202 7.730 -33.952 1.00 0.57 C ATOM 480 O ASP A 31 4.981 6.976 -34.535 1.00 0.61 O ATOM 481 CB ASP A 31 5.373 9.274 -32.369 1.00 0.80 C ATOM 482 CG ASP A 31 6.869 9.362 -32.603 1.00 1.05 C ATOM 483 OD1 ASP A 31 7.479 8.348 -32.994 1.00 1.67 O ATOM 484 OD2 ASP A 31 7.444 10.459 -32.408 1.00 1.17 O ATOM 0 H ASP A 31 3.133 10.341 -32.724 1.00 0.57 H new ATOM 0 HA ASP A 31 5.231 9.512 -34.493 1.00 0.64 H new ATOM 0 HB2 ASP A 31 5.041 10.152 -31.815 1.00 0.80 H new ATOM 0 HB3 ASP A 31 5.154 8.405 -31.749 1.00 0.80 H new ATOM 489 N LYS A 32 2.990 7.341 -33.559 1.00 0.53 N ATOM 490 CA LYS A 32 2.541 5.976 -33.784 1.00 0.55 C ATOM 491 C LYS A 32 2.348 5.711 -35.276 1.00 0.48 C ATOM 492 O LYS A 32 2.840 4.710 -35.801 1.00 0.52 O ATOM 493 CB LYS A 32 1.251 5.685 -33.012 1.00 0.67 C ATOM 494 CG LYS A 32 0.789 4.239 -33.135 1.00 0.97 C ATOM 495 CD LYS A 32 -0.374 3.911 -32.202 1.00 1.09 C ATOM 496 CE LYS A 32 -1.634 4.694 -32.546 1.00 1.51 C ATOM 497 NZ LYS A 32 -1.627 6.062 -31.962 1.00 2.03 N ATOM 0 H LYS A 32 2.314 7.944 -33.091 1.00 0.53 H new ATOM 0 HA LYS A 32 3.314 5.303 -33.412 1.00 0.55 H new ATOM 0 HB2 LYS A 32 1.404 5.922 -31.959 1.00 0.67 H new ATOM 0 HB3 LYS A 32 0.462 6.343 -33.375 1.00 0.67 H new ATOM 0 HG2 LYS A 32 0.490 4.044 -34.165 1.00 0.97 H new ATOM 0 HG3 LYS A 32 1.625 3.575 -32.915 1.00 0.97 H new ATOM 0 HD2 LYS A 32 -0.588 2.843 -32.254 1.00 1.09 H new ATOM 0 HD3 LYS A 32 -0.084 4.128 -31.174 1.00 1.09 H new ATOM 0 HE2 LYS A 32 -1.730 4.765 -33.629 1.00 1.51 H new ATOM 0 HE3 LYS A 32 -2.507 4.151 -32.183 1.00 1.51 H new ATOM 0 HZ1 LYS A 32 -2.574 6.288 -31.595 1.00 2.03 H new ATOM 0 HZ2 LYS A 32 -0.936 6.105 -31.186 1.00 2.03 H new ATOM 0 HZ3 LYS A 32 -1.367 6.751 -32.696 1.00 2.03 H new ATOM 511 N LEU A 33 1.656 6.614 -35.964 1.00 0.44 N ATOM 512 CA LEU A 33 1.423 6.445 -37.394 1.00 0.44 C ATOM 513 C LEU A 33 2.702 6.702 -38.190 1.00 0.46 C ATOM 514 O LEU A 33 2.916 6.105 -39.249 1.00 0.51 O ATOM 515 CB LEU A 33 0.263 7.339 -37.875 1.00 0.47 C ATOM 516 CG LEU A 33 0.388 8.845 -37.603 1.00 0.48 C ATOM 517 CD1 LEU A 33 1.212 9.537 -38.682 1.00 0.57 C ATOM 518 CD2 LEU A 33 -0.992 9.474 -37.507 1.00 0.55 C ATOM 0 H LEU A 33 1.252 7.459 -35.561 1.00 0.44 H new ATOM 0 HA LEU A 33 1.131 5.410 -37.571 1.00 0.44 H new ATOM 0 HB2 LEU A 33 0.148 7.197 -38.950 1.00 0.47 H new ATOM 0 HB3 LEU A 33 -0.655 6.985 -37.407 1.00 0.47 H new ATOM 0 HG LEU A 33 0.907 8.975 -36.653 1.00 0.48 H new ATOM 0 HD11 LEU A 33 1.281 10.602 -38.460 1.00 0.57 H new ATOM 0 HD12 LEU A 33 2.213 9.106 -38.708 1.00 0.57 H new ATOM 0 HD13 LEU A 33 0.732 9.399 -39.651 1.00 0.57 H new ATOM 0 HD21 LEU A 33 -0.892 10.542 -37.314 1.00 0.55 H new ATOM 0 HD22 LEU A 33 -1.527 9.323 -38.445 1.00 0.55 H new ATOM 0 HD23 LEU A 33 -1.548 9.009 -36.693 1.00 0.55 H new ATOM 530 N SER A 34 3.566 7.566 -37.665 1.00 0.47 N ATOM 531 CA SER A 34 4.832 7.865 -38.323 1.00 0.53 C ATOM 532 C SER A 34 5.783 6.678 -38.245 1.00 0.54 C ATOM 533 O SER A 34 6.545 6.432 -39.169 1.00 0.59 O ATOM 534 CB SER A 34 5.484 9.105 -37.710 1.00 0.60 C ATOM 535 OG SER A 34 4.677 10.251 -37.915 1.00 1.29 O ATOM 0 H SER A 34 3.413 8.069 -36.791 1.00 0.47 H new ATOM 0 HA SER A 34 4.620 8.067 -39.373 1.00 0.53 H new ATOM 0 HB2 SER A 34 5.639 8.950 -36.642 1.00 0.60 H new ATOM 0 HB3 SER A 34 6.467 9.262 -38.155 1.00 0.60 H new ATOM 0 HG SER A 34 4.135 10.416 -37.116 1.00 1.29 H new ATOM 541 N SER A 35 5.737 5.941 -37.147 1.00 0.55 N ATOM 542 CA SER A 35 6.575 4.759 -37.000 1.00 0.62 C ATOM 543 C SER A 35 6.093 3.624 -37.903 1.00 0.59 C ATOM 544 O SER A 35 6.879 2.778 -38.324 1.00 0.65 O ATOM 545 CB SER A 35 6.607 4.311 -35.538 1.00 0.72 C ATOM 546 OG SER A 35 7.140 5.336 -34.711 1.00 0.78 O ATOM 0 H SER A 35 5.133 6.137 -36.349 1.00 0.55 H new ATOM 0 HA SER A 35 7.588 5.020 -37.308 1.00 0.62 H new ATOM 0 HB2 SER A 35 5.600 4.057 -35.208 1.00 0.72 H new ATOM 0 HB3 SER A 35 7.211 3.408 -35.442 1.00 0.72 H new ATOM 0 HG SER A 35 6.456 6.021 -34.557 1.00 0.78 H new ATOM 552 N ALA A 36 4.798 3.622 -38.206 1.00 0.54 N ATOM 553 CA ALA A 36 4.204 2.572 -39.025 1.00 0.57 C ATOM 554 C ALA A 36 4.530 2.757 -40.506 1.00 0.51 C ATOM 555 O ALA A 36 4.963 1.821 -41.178 1.00 0.52 O ATOM 556 CB ALA A 36 2.698 2.539 -38.816 1.00 0.64 C ATOM 0 H ALA A 36 4.140 4.337 -37.896 1.00 0.54 H new ATOM 0 HA ALA A 36 4.633 1.620 -38.711 1.00 0.57 H new ATOM 0 HB1 ALA A 36 2.262 1.752 -39.432 1.00 0.64 H new ATOM 0 HB2 ALA A 36 2.481 2.341 -37.766 1.00 0.64 H new ATOM 0 HB3 ALA A 36 2.270 3.500 -39.100 1.00 0.64 H new ATOM 562 N LEU A 37 4.312 3.963 -41.014 1.00 0.50 N ATOM 563 CA LEU A 37 4.575 4.254 -42.420 1.00 0.53 C ATOM 564 C LEU A 37 6.046 4.601 -42.625 1.00 0.52 C ATOM 565 O LEU A 37 6.624 4.309 -43.673 1.00 0.62 O ATOM 566 CB LEU A 37 3.696 5.413 -42.899 1.00 0.57 C ATOM 567 CG LEU A 37 2.186 5.185 -42.782 1.00 0.70 C ATOM 568 CD1 LEU A 37 1.425 6.423 -43.231 1.00 0.86 C ATOM 569 CD2 LEU A 37 1.759 3.974 -43.599 1.00 0.94 C ATOM 0 H LEU A 37 3.955 4.754 -40.477 1.00 0.50 H new ATOM 0 HA LEU A 37 4.337 3.365 -43.004 1.00 0.53 H new ATOM 0 HB2 LEU A 37 3.957 6.304 -42.328 1.00 0.57 H new ATOM 0 HB3 LEU A 37 3.935 5.621 -43.942 1.00 0.57 H new ATOM 0 HG LEU A 37 1.950 4.992 -41.735 1.00 0.70 H new ATOM 0 HD11 LEU A 37 0.354 6.244 -43.141 1.00 0.86 H new ATOM 0 HD12 LEU A 37 1.705 7.270 -42.604 1.00 0.86 H new ATOM 0 HD13 LEU A 37 1.670 6.644 -44.270 1.00 0.86 H new ATOM 0 HD21 LEU A 37 0.683 3.830 -43.502 1.00 0.94 H new ATOM 0 HD22 LEU A 37 2.010 4.135 -44.647 1.00 0.94 H new ATOM 0 HD23 LEU A 37 2.278 3.088 -43.234 1.00 0.94 H new ATOM 581 N LYS A 38 6.627 5.207 -41.597 1.00 0.47 N ATOM 582 CA LYS A 38 8.006 5.692 -41.606 1.00 0.52 C ATOM 583 C LYS A 38 8.259 6.653 -42.766 1.00 0.47 C ATOM 584 O LYS A 38 8.663 6.251 -43.857 1.00 0.54 O ATOM 585 CB LYS A 38 9.018 4.544 -41.624 1.00 0.70 C ATOM 586 CG LYS A 38 10.445 5.019 -41.390 1.00 1.32 C ATOM 587 CD LYS A 38 10.557 5.788 -40.081 1.00 1.93 C ATOM 588 CE LYS A 38 11.874 6.539 -39.978 1.00 2.67 C ATOM 589 NZ LYS A 38 11.970 7.315 -38.713 1.00 3.36 N ATOM 0 H LYS A 38 6.145 5.380 -40.715 1.00 0.47 H new ATOM 0 HA LYS A 38 8.148 6.242 -40.676 1.00 0.52 H new ATOM 0 HB2 LYS A 38 8.751 3.817 -40.857 1.00 0.70 H new ATOM 0 HB3 LYS A 38 8.963 4.030 -42.584 1.00 0.70 H new ATOM 0 HG2 LYS A 38 11.119 4.162 -41.371 1.00 1.32 H new ATOM 0 HG3 LYS A 38 10.761 5.655 -42.217 1.00 1.32 H new ATOM 0 HD2 LYS A 38 9.730 6.493 -40.002 1.00 1.93 H new ATOM 0 HD3 LYS A 38 10.467 5.096 -39.244 1.00 1.93 H new ATOM 0 HE2 LYS A 38 12.701 5.831 -40.034 1.00 2.67 H new ATOM 0 HE3 LYS A 38 11.974 7.215 -40.827 1.00 2.67 H new ATOM 0 HZ1 LYS A 38 12.882 7.813 -38.680 1.00 3.36 H new ATOM 0 HZ2 LYS A 38 11.195 8.008 -38.671 1.00 3.36 H new ATOM 0 HZ3 LYS A 38 11.900 6.667 -37.902 1.00 3.36 H new ATOM 603 N PRO A 39 8.011 7.945 -42.544 1.00 0.46 N ATOM 604 CA PRO A 39 8.223 8.969 -43.550 1.00 0.47 C ATOM 605 C PRO A 39 9.636 9.544 -43.513 1.00 0.51 C ATOM 606 O PRO A 39 10.190 9.794 -42.442 1.00 0.63 O ATOM 607 CB PRO A 39 7.199 10.030 -43.159 1.00 0.50 C ATOM 608 CG PRO A 39 7.068 9.914 -41.673 1.00 0.54 C ATOM 609 CD PRO A 39 7.491 8.515 -41.291 1.00 0.52 C ATOM 0 HA PRO A 39 8.110 8.587 -44.565 1.00 0.47 H new ATOM 0 HB2 PRO A 39 7.533 11.026 -43.449 1.00 0.50 H new ATOM 0 HB3 PRO A 39 6.243 9.857 -43.654 1.00 0.50 H new ATOM 0 HG2 PRO A 39 7.693 10.654 -41.173 1.00 0.54 H new ATOM 0 HG3 PRO A 39 6.040 10.103 -41.362 1.00 0.54 H new ATOM 0 HD2 PRO A 39 8.253 8.527 -40.512 1.00 0.52 H new ATOM 0 HD3 PRO A 39 6.652 7.935 -40.907 1.00 0.52 H new ATOM 617 N THR A 40 10.219 9.743 -44.686 1.00 0.52 N ATOM 618 CA THR A 40 11.504 10.410 -44.793 1.00 0.61 C ATOM 619 C THR A 40 11.347 11.890 -44.450 1.00 0.62 C ATOM 620 O THR A 40 12.261 12.529 -43.925 1.00 0.73 O ATOM 621 CB THR A 40 12.097 10.248 -46.210 1.00 0.67 C ATOM 622 OG1 THR A 40 11.085 10.483 -47.203 1.00 0.70 O ATOM 623 CG2 THR A 40 12.676 8.852 -46.399 1.00 0.71 C ATOM 0 H THR A 40 9.820 9.451 -45.578 1.00 0.52 H new ATOM 0 HA THR A 40 12.193 9.948 -44.086 1.00 0.61 H new ATOM 0 HB THR A 40 12.896 10.980 -46.326 1.00 0.67 H new ATOM 0 HG1 THR A 40 10.255 10.765 -46.764 1.00 0.70 H new ATOM 0 HG21 THR A 40 13.088 8.762 -47.404 1.00 0.71 H new ATOM 0 HG22 THR A 40 13.466 8.684 -45.667 1.00 0.71 H new ATOM 0 HG23 THR A 40 11.889 8.110 -46.261 1.00 0.71 H new ATOM 631 N PHE A 41 10.158 12.413 -44.733 1.00 0.54 N ATOM 632 CA PHE A 41 9.803 13.780 -44.392 1.00 0.55 C ATOM 633 C PHE A 41 8.356 13.816 -43.918 1.00 0.48 C ATOM 634 O PHE A 41 7.465 13.296 -44.591 1.00 0.45 O ATOM 635 CB PHE A 41 9.997 14.706 -45.598 1.00 0.57 C ATOM 636 CG PHE A 41 9.646 16.142 -45.320 1.00 0.62 C ATOM 637 CD1 PHE A 41 10.523 16.959 -44.626 1.00 0.69 C ATOM 638 CD2 PHE A 41 8.440 16.672 -45.753 1.00 0.62 C ATOM 639 CE1 PHE A 41 10.204 18.279 -44.369 1.00 0.76 C ATOM 640 CE2 PHE A 41 8.117 17.991 -45.499 1.00 0.70 C ATOM 641 CZ PHE A 41 9.000 18.795 -44.805 1.00 0.75 C ATOM 0 H PHE A 41 9.415 11.898 -45.206 1.00 0.54 H new ATOM 0 HA PHE A 41 10.455 14.132 -43.593 1.00 0.55 H new ATOM 0 HB2 PHE A 41 11.036 14.652 -45.923 1.00 0.57 H new ATOM 0 HB3 PHE A 41 9.385 14.345 -46.424 1.00 0.57 H new ATOM 0 HD1 PHE A 41 11.466 16.560 -44.282 1.00 0.69 H new ATOM 0 HD2 PHE A 41 7.746 16.047 -46.295 1.00 0.62 H new ATOM 0 HE1 PHE A 41 10.896 18.907 -43.827 1.00 0.76 H new ATOM 0 HE2 PHE A 41 7.175 18.393 -45.843 1.00 0.70 H new ATOM 0 HZ PHE A 41 8.749 19.826 -44.604 1.00 0.75 H new ATOM 651 N LEU A 42 8.129 14.403 -42.755 1.00 0.50 N ATOM 652 CA LEU A 42 6.792 14.473 -42.184 1.00 0.48 C ATOM 653 C LEU A 42 6.548 15.872 -41.628 1.00 0.54 C ATOM 654 O LEU A 42 7.339 16.377 -40.832 1.00 0.64 O ATOM 655 CB LEU A 42 6.642 13.412 -41.080 1.00 0.53 C ATOM 656 CG LEU A 42 5.208 12.963 -40.746 1.00 0.60 C ATOM 657 CD1 LEU A 42 4.424 14.065 -40.056 1.00 1.03 C ATOM 658 CD2 LEU A 42 4.485 12.507 -42.002 1.00 1.55 C ATOM 0 H LEU A 42 8.854 14.839 -42.186 1.00 0.50 H new ATOM 0 HA LEU A 42 6.051 14.272 -42.957 1.00 0.48 H new ATOM 0 HB2 LEU A 42 7.215 12.532 -41.373 1.00 0.53 H new ATOM 0 HB3 LEU A 42 7.098 13.801 -40.170 1.00 0.53 H new ATOM 0 HG LEU A 42 5.279 12.122 -40.056 1.00 0.60 H new ATOM 0 HD11 LEU A 42 3.417 13.712 -39.836 1.00 1.03 H new ATOM 0 HD12 LEU A 42 4.923 14.340 -39.127 1.00 1.03 H new ATOM 0 HD13 LEU A 42 4.368 14.936 -40.709 1.00 1.03 H new ATOM 0 HD21 LEU A 42 3.473 12.193 -41.746 1.00 1.55 H new ATOM 0 HD22 LEU A 42 4.440 13.330 -42.715 1.00 1.55 H new ATOM 0 HD23 LEU A 42 5.022 11.670 -42.447 1.00 1.55 H new ATOM 670 N GLU A 43 5.464 16.496 -42.064 1.00 0.57 N ATOM 671 CA GLU A 43 5.120 17.838 -41.615 1.00 0.69 C ATOM 672 C GLU A 43 3.666 17.869 -41.149 1.00 0.60 C ATOM 673 O GLU A 43 2.771 17.426 -41.872 1.00 0.53 O ATOM 674 CB GLU A 43 5.333 18.836 -42.760 1.00 0.82 C ATOM 675 CG GLU A 43 5.922 20.174 -42.328 1.00 1.00 C ATOM 676 CD GLU A 43 5.018 20.957 -41.398 1.00 1.62 C ATOM 677 OE1 GLU A 43 4.120 21.669 -41.895 1.00 2.23 O ATOM 678 OE2 GLU A 43 5.212 20.875 -40.166 1.00 2.19 O ATOM 0 H GLU A 43 4.805 16.093 -42.730 1.00 0.57 H new ATOM 0 HA GLU A 43 5.763 18.117 -40.780 1.00 0.69 H new ATOM 0 HB2 GLU A 43 5.993 18.385 -43.501 1.00 0.82 H new ATOM 0 HB3 GLU A 43 4.377 19.016 -43.252 1.00 0.82 H new ATOM 0 HG2 GLU A 43 6.877 19.999 -41.832 1.00 1.00 H new ATOM 0 HG3 GLU A 43 6.128 20.775 -43.214 1.00 1.00 H new ATOM 685 N LEU A 44 3.436 18.368 -39.939 1.00 0.67 N ATOM 686 CA LEU A 44 2.084 18.470 -39.406 1.00 0.65 C ATOM 687 C LEU A 44 1.529 19.859 -39.674 1.00 0.64 C ATOM 688 O LEU A 44 2.030 20.854 -39.145 1.00 0.77 O ATOM 689 CB LEU A 44 2.040 18.184 -37.894 1.00 0.82 C ATOM 690 CG LEU A 44 2.363 16.748 -37.460 1.00 0.97 C ATOM 691 CD1 LEU A 44 1.546 15.745 -38.258 1.00 1.27 C ATOM 692 CD2 LEU A 44 3.852 16.459 -37.585 1.00 1.72 C ATOM 0 H LEU A 44 4.166 18.707 -39.312 1.00 0.67 H new ATOM 0 HA LEU A 44 1.474 17.719 -39.908 1.00 0.65 H new ATOM 0 HB2 LEU A 44 2.741 18.856 -37.399 1.00 0.82 H new ATOM 0 HB3 LEU A 44 1.045 18.436 -37.528 1.00 0.82 H new ATOM 0 HG LEU A 44 2.091 16.646 -36.409 1.00 0.97 H new ATOM 0 HD11 LEU A 44 1.792 14.734 -37.933 1.00 1.27 H new ATOM 0 HD12 LEU A 44 0.484 15.930 -38.096 1.00 1.27 H new ATOM 0 HD13 LEU A 44 1.775 15.851 -39.318 1.00 1.27 H new ATOM 0 HD21 LEU A 44 4.051 15.435 -37.271 1.00 1.72 H new ATOM 0 HD22 LEU A 44 4.162 16.587 -38.622 1.00 1.72 H new ATOM 0 HD23 LEU A 44 4.411 17.148 -36.952 1.00 1.72 H new ATOM 704 N VAL A 45 0.486 19.920 -40.475 1.00 0.57 N ATOM 705 CA VAL A 45 -0.105 21.187 -40.867 1.00 0.63 C ATOM 706 C VAL A 45 -1.391 21.433 -40.095 1.00 0.60 C ATOM 707 O VAL A 45 -2.321 20.622 -40.142 1.00 0.56 O ATOM 708 CB VAL A 45 -0.397 21.231 -42.383 1.00 0.73 C ATOM 709 CG1 VAL A 45 -0.987 22.572 -42.784 1.00 1.08 C ATOM 710 CG2 VAL A 45 0.862 20.941 -43.184 1.00 0.90 C ATOM 0 H VAL A 45 0.025 19.101 -40.871 1.00 0.57 H new ATOM 0 HA VAL A 45 0.616 21.970 -40.633 1.00 0.63 H new ATOM 0 HB VAL A 45 -1.131 20.456 -42.605 1.00 0.73 H new ATOM 0 HG11 VAL A 45 -1.183 22.577 -43.856 1.00 1.08 H new ATOM 0 HG12 VAL A 45 -1.919 22.736 -42.243 1.00 1.08 H new ATOM 0 HG13 VAL A 45 -0.282 23.367 -42.541 1.00 1.08 H new ATOM 0 HG21 VAL A 45 0.632 20.977 -44.249 1.00 0.90 H new ATOM 0 HG22 VAL A 45 1.621 21.687 -42.951 1.00 0.90 H new ATOM 0 HG23 VAL A 45 1.236 19.950 -42.927 1.00 0.90 H new ATOM 720 N ASP A 46 -1.431 22.541 -39.374 1.00 0.76 N ATOM 721 CA ASP A 46 -2.621 22.933 -38.636 1.00 0.83 C ATOM 722 C ASP A 46 -3.723 23.316 -39.609 1.00 0.80 C ATOM 723 O ASP A 46 -3.615 24.317 -40.323 1.00 0.99 O ATOM 724 CB ASP A 46 -2.309 24.107 -37.705 1.00 1.16 C ATOM 725 CG ASP A 46 -3.503 24.544 -36.876 1.00 1.38 C ATOM 726 OD1 ASP A 46 -4.296 25.381 -37.358 1.00 1.57 O ATOM 727 OD2 ASP A 46 -3.631 24.081 -35.722 1.00 1.83 O ATOM 0 H ASP A 46 -0.648 23.189 -39.284 1.00 0.76 H new ATOM 0 HA ASP A 46 -2.954 22.091 -38.030 1.00 0.83 H new ATOM 0 HB2 ASP A 46 -1.494 23.827 -37.038 1.00 1.16 H new ATOM 0 HB3 ASP A 46 -1.959 24.951 -38.299 1.00 1.16 H new ATOM 732 N LYS A 47 -4.763 22.501 -39.670 1.00 0.81 N ATOM 733 CA LYS A 47 -5.874 22.773 -40.557 1.00 1.03 C ATOM 734 C LYS A 47 -6.791 23.792 -39.899 1.00 1.12 C ATOM 735 O LYS A 47 -7.356 23.534 -38.838 1.00 1.66 O ATOM 736 CB LYS A 47 -6.632 21.486 -40.890 1.00 1.36 C ATOM 737 CG LYS A 47 -7.046 21.389 -42.350 1.00 1.85 C ATOM 738 CD LYS A 47 -5.831 21.404 -43.264 1.00 2.14 C ATOM 739 CE LYS A 47 -6.220 21.279 -44.727 1.00 2.34 C ATOM 740 NZ LYS A 47 -5.028 21.238 -45.618 1.00 2.76 N ATOM 0 H LYS A 47 -4.858 21.649 -39.117 1.00 0.81 H new ATOM 0 HA LYS A 47 -5.499 23.180 -41.496 1.00 1.03 H new ATOM 0 HB2 LYS A 47 -6.006 20.629 -40.640 1.00 1.36 H new ATOM 0 HB3 LYS A 47 -7.522 21.425 -40.263 1.00 1.36 H new ATOM 0 HG2 LYS A 47 -7.615 20.473 -42.510 1.00 1.85 H new ATOM 0 HG3 LYS A 47 -7.704 22.221 -42.601 1.00 1.85 H new ATOM 0 HD2 LYS A 47 -5.276 22.330 -43.114 1.00 2.14 H new ATOM 0 HD3 LYS A 47 -5.164 20.585 -42.995 1.00 2.14 H new ATOM 0 HE2 LYS A 47 -6.811 20.374 -44.869 1.00 2.34 H new ATOM 0 HE3 LYS A 47 -6.854 22.121 -45.007 1.00 2.34 H new ATOM 0 HZ1 LYS A 47 -5.307 21.508 -46.583 1.00 2.76 H new ATOM 0 HZ2 LYS A 47 -4.309 21.902 -45.267 1.00 2.76 H new ATOM 0 HZ3 LYS A 47 -4.635 20.275 -45.627 1.00 2.76 H new ATOM 754 N SER A 48 -6.917 24.945 -40.538 1.00 1.40 N ATOM 755 CA SER A 48 -7.574 26.098 -39.943 1.00 1.68 C ATOM 756 C SER A 48 -9.030 25.805 -39.579 1.00 1.52 C ATOM 757 O SER A 48 -9.866 25.554 -40.453 1.00 1.97 O ATOM 758 CB SER A 48 -7.493 27.287 -40.904 1.00 2.50 C ATOM 759 OG SER A 48 -7.828 28.502 -40.256 1.00 3.20 O ATOM 0 H SER A 48 -6.567 25.107 -41.482 1.00 1.40 H new ATOM 0 HA SER A 48 -7.054 26.339 -39.016 1.00 1.68 H new ATOM 0 HB2 SER A 48 -6.485 27.357 -41.313 1.00 2.50 H new ATOM 0 HB3 SER A 48 -8.168 27.124 -41.744 1.00 2.50 H new ATOM 0 HG SER A 48 -7.765 29.242 -40.895 1.00 3.20 H new ATOM 765 N CYS A 49 -9.308 25.823 -38.281 1.00 2.02 N ATOM 766 CA CYS A 49 -10.663 25.698 -37.761 1.00 2.76 C ATOM 767 C CYS A 49 -10.698 26.190 -36.318 1.00 2.78 C ATOM 768 O CYS A 49 -9.676 26.164 -35.627 1.00 3.32 O ATOM 769 CB CYS A 49 -11.155 24.250 -37.847 1.00 3.84 C ATOM 770 SG CYS A 49 -10.116 23.057 -36.977 1.00 4.74 S ATOM 0 H CYS A 49 -8.597 25.925 -37.557 1.00 2.02 H new ATOM 0 HA CYS A 49 -11.330 26.310 -38.368 1.00 2.76 H new ATOM 0 HB2 CYS A 49 -12.165 24.198 -37.441 1.00 3.84 H new ATOM 0 HB3 CYS A 49 -11.218 23.962 -38.896 1.00 3.84 H new ATOM 0 HG CYS A 49 -8.934 23.035 -37.518 1.00 4.74 H new ATOM 776 N GLY A 50 -11.860 26.645 -35.869 1.00 2.67 N ATOM 777 CA GLY A 50 -11.971 27.222 -34.542 1.00 2.93 C ATOM 778 C GLY A 50 -11.918 26.192 -33.432 1.00 2.80 C ATOM 779 O GLY A 50 -10.975 26.171 -32.638 1.00 3.16 O ATOM 0 H GLY A 50 -12.730 26.625 -36.401 1.00 2.67 H new ATOM 0 HA2 GLY A 50 -11.165 27.942 -34.398 1.00 2.93 H new ATOM 0 HA3 GLY A 50 -12.908 27.774 -34.471 1.00 2.93 H new ATOM 783 N CYS A 51 -12.926 25.338 -33.371 1.00 2.72 N ATOM 784 CA CYS A 51 -13.023 24.343 -32.309 1.00 2.86 C ATOM 785 C CYS A 51 -13.046 22.935 -32.889 1.00 2.48 C ATOM 786 O CYS A 51 -13.373 21.967 -32.201 1.00 3.01 O ATOM 787 CB CYS A 51 -14.282 24.595 -31.477 1.00 3.50 C ATOM 788 SG CYS A 51 -15.796 24.723 -32.460 1.00 4.36 S ATOM 0 H CYS A 51 -13.692 25.312 -34.044 1.00 2.72 H new ATOM 0 HA CYS A 51 -12.147 24.431 -31.667 1.00 2.86 H new ATOM 0 HB2 CYS A 51 -14.396 23.787 -30.755 1.00 3.50 H new ATOM 0 HB3 CYS A 51 -14.151 25.515 -30.907 1.00 3.50 H new ATOM 0 HG CYS A 51 -16.808 24.934 -31.672 1.00 4.36 H new ATOM 794 N GLY A 52 -12.690 22.829 -34.160 1.00 2.09 N ATOM 795 CA GLY A 52 -12.699 21.545 -34.826 1.00 2.20 C ATOM 796 C GLY A 52 -11.513 20.687 -34.443 1.00 1.68 C ATOM 797 O GLY A 52 -11.661 19.488 -34.222 1.00 2.26 O ATOM 0 H GLY A 52 -12.394 23.612 -34.743 1.00 2.09 H new ATOM 0 HA2 GLY A 52 -13.620 21.017 -34.579 1.00 2.20 H new ATOM 0 HA3 GLY A 52 -12.699 21.699 -35.905 1.00 2.20 H new ATOM 801 N THR A 53 -10.344 21.312 -34.347 1.00 1.51 N ATOM 802 CA THR A 53 -9.097 20.608 -34.068 1.00 1.81 C ATOM 803 C THR A 53 -8.809 19.578 -35.163 1.00 1.47 C ATOM 804 O THR A 53 -9.127 18.393 -35.031 1.00 1.48 O ATOM 805 CB THR A 53 -9.121 19.927 -32.681 1.00 2.71 C ATOM 806 OG1 THR A 53 -9.490 20.885 -31.677 1.00 3.27 O ATOM 807 CG2 THR A 53 -7.760 19.337 -32.333 1.00 3.46 C ATOM 0 H THR A 53 -10.234 22.320 -34.460 1.00 1.51 H new ATOM 0 HA THR A 53 -8.297 21.348 -34.057 1.00 1.81 H new ATOM 0 HB THR A 53 -9.852 19.119 -32.715 1.00 2.71 H new ATOM 0 HG1 THR A 53 -9.506 20.449 -30.799 1.00 3.27 H new ATOM 0 HG21 THR A 53 -7.808 18.865 -31.352 1.00 3.46 H new ATOM 0 HG22 THR A 53 -7.484 18.593 -33.080 1.00 3.46 H new ATOM 0 HG23 THR A 53 -7.013 20.130 -32.318 1.00 3.46 H new ATOM 815 N SER A 54 -8.233 20.047 -36.257 1.00 1.25 N ATOM 816 CA SER A 54 -7.954 19.195 -37.400 1.00 1.00 C ATOM 817 C SER A 54 -6.505 19.340 -37.847 1.00 0.82 C ATOM 818 O SER A 54 -5.952 20.441 -37.846 1.00 0.89 O ATOM 819 CB SER A 54 -8.906 19.545 -38.545 1.00 1.14 C ATOM 820 OG SER A 54 -8.963 20.947 -38.753 1.00 1.71 O ATOM 0 H SER A 54 -7.948 21.019 -36.378 1.00 1.25 H new ATOM 0 HA SER A 54 -8.110 18.156 -37.109 1.00 1.00 H new ATOM 0 HB2 SER A 54 -8.576 19.052 -39.459 1.00 1.14 H new ATOM 0 HB3 SER A 54 -9.903 19.167 -38.321 1.00 1.14 H new ATOM 0 HG SER A 54 -9.501 21.361 -38.046 1.00 1.71 H new ATOM 826 N PHE A 55 -5.894 18.229 -38.227 1.00 0.67 N ATOM 827 CA PHE A 55 -4.502 18.233 -38.647 1.00 0.60 C ATOM 828 C PHE A 55 -4.346 17.571 -40.006 1.00 0.52 C ATOM 829 O PHE A 55 -4.904 16.505 -40.254 1.00 0.50 O ATOM 830 CB PHE A 55 -3.620 17.521 -37.615 1.00 0.67 C ATOM 831 CG PHE A 55 -3.547 18.227 -36.290 1.00 0.81 C ATOM 832 CD1 PHE A 55 -2.682 19.294 -36.107 1.00 0.86 C ATOM 833 CD2 PHE A 55 -4.343 17.823 -35.230 1.00 0.99 C ATOM 834 CE1 PHE A 55 -2.613 19.946 -34.892 1.00 1.03 C ATOM 835 CE2 PHE A 55 -4.276 18.472 -34.012 1.00 1.15 C ATOM 836 CZ PHE A 55 -3.410 19.535 -33.843 1.00 1.15 C ATOM 0 H PHE A 55 -6.341 17.312 -38.253 1.00 0.67 H new ATOM 0 HA PHE A 55 -4.181 19.272 -38.725 1.00 0.60 H new ATOM 0 HB2 PHE A 55 -4.002 16.512 -37.458 1.00 0.67 H new ATOM 0 HB3 PHE A 55 -2.613 17.421 -38.019 1.00 0.67 H new ATOM 0 HD1 PHE A 55 -2.055 19.619 -36.924 1.00 0.86 H new ATOM 0 HD2 PHE A 55 -5.022 16.993 -35.357 1.00 0.99 H new ATOM 0 HE1 PHE A 55 -1.936 20.777 -34.763 1.00 1.03 H new ATOM 0 HE2 PHE A 55 -4.900 18.148 -33.192 1.00 1.15 H new ATOM 0 HZ PHE A 55 -3.357 20.043 -32.892 1.00 1.15 H new ATOM 846 N ASP A 56 -3.598 18.222 -40.879 1.00 0.51 N ATOM 847 CA ASP A 56 -3.309 17.693 -42.205 1.00 0.52 C ATOM 848 C ASP A 56 -1.828 17.355 -42.283 1.00 0.50 C ATOM 849 O ASP A 56 -0.978 18.235 -42.166 1.00 0.55 O ATOM 850 CB ASP A 56 -3.694 18.729 -43.265 1.00 0.58 C ATOM 851 CG ASP A 56 -3.532 18.242 -44.693 1.00 0.64 C ATOM 852 OD1 ASP A 56 -3.740 17.042 -44.957 1.00 1.23 O ATOM 853 OD2 ASP A 56 -3.230 19.081 -45.571 1.00 1.35 O ATOM 0 H ASP A 56 -3.173 19.130 -40.692 1.00 0.51 H new ATOM 0 HA ASP A 56 -3.889 16.789 -42.390 1.00 0.52 H new ATOM 0 HB2 ASP A 56 -4.731 19.025 -43.109 1.00 0.58 H new ATOM 0 HB3 ASP A 56 -3.083 19.621 -43.125 1.00 0.58 H new ATOM 858 N ALA A 57 -1.516 16.085 -42.448 1.00 0.48 N ATOM 859 CA ALA A 57 -0.138 15.634 -42.356 1.00 0.48 C ATOM 860 C ALA A 57 0.440 15.310 -43.722 1.00 0.44 C ATOM 861 O ALA A 57 -0.057 14.435 -44.435 1.00 0.46 O ATOM 862 CB ALA A 57 -0.043 14.422 -41.443 1.00 0.51 C ATOM 0 H ALA A 57 -2.193 15.348 -42.646 1.00 0.48 H new ATOM 0 HA ALA A 57 0.450 16.449 -41.934 1.00 0.48 H new ATOM 0 HB1 ALA A 57 0.994 14.093 -41.382 1.00 0.51 H new ATOM 0 HB2 ALA A 57 -0.399 14.688 -40.448 1.00 0.51 H new ATOM 0 HB3 ALA A 57 -0.656 13.615 -41.844 1.00 0.51 H new ATOM 868 N VAL A 58 1.495 16.021 -44.080 1.00 0.42 N ATOM 869 CA VAL A 58 2.197 15.770 -45.324 1.00 0.41 C ATOM 870 C VAL A 58 3.203 14.647 -45.117 1.00 0.39 C ATOM 871 O VAL A 58 4.190 14.812 -44.397 1.00 0.41 O ATOM 872 CB VAL A 58 2.924 17.034 -45.836 1.00 0.48 C ATOM 873 CG1 VAL A 58 3.597 16.767 -47.175 1.00 0.51 C ATOM 874 CG2 VAL A 58 1.952 18.201 -45.948 1.00 0.55 C ATOM 0 H VAL A 58 1.885 16.781 -43.522 1.00 0.42 H new ATOM 0 HA VAL A 58 1.462 15.483 -46.076 1.00 0.41 H new ATOM 0 HB VAL A 58 3.697 17.297 -45.114 1.00 0.48 H new ATOM 0 HG11 VAL A 58 4.102 17.671 -47.515 1.00 0.51 H new ATOM 0 HG12 VAL A 58 4.326 15.965 -47.062 1.00 0.51 H new ATOM 0 HG13 VAL A 58 2.845 16.474 -47.908 1.00 0.51 H new ATOM 0 HG21 VAL A 58 2.482 19.082 -46.310 1.00 0.55 H new ATOM 0 HG22 VAL A 58 1.155 17.945 -46.646 1.00 0.55 H new ATOM 0 HG23 VAL A 58 1.523 18.412 -44.969 1.00 0.55 H new ATOM 884 N ILE A 59 2.940 13.506 -45.736 1.00 0.38 N ATOM 885 CA ILE A 59 3.782 12.337 -45.567 1.00 0.40 C ATOM 886 C ILE A 59 4.601 12.083 -46.829 1.00 0.44 C ATOM 887 O ILE A 59 4.072 11.724 -47.884 1.00 0.65 O ATOM 888 CB ILE A 59 2.945 11.088 -45.150 1.00 0.49 C ATOM 889 CG1 ILE A 59 3.813 9.811 -45.067 1.00 1.18 C ATOM 890 CG2 ILE A 59 1.756 10.884 -46.082 1.00 0.77 C ATOM 891 CD1 ILE A 59 3.898 9.003 -46.352 1.00 0.80 C ATOM 0 H ILE A 59 2.146 13.367 -46.362 1.00 0.38 H new ATOM 0 HA ILE A 59 4.480 12.531 -44.753 1.00 0.40 H new ATOM 0 HB ILE A 59 2.559 11.281 -44.149 1.00 0.49 H new ATOM 0 HG12 ILE A 59 4.822 10.095 -44.768 1.00 1.18 H new ATOM 0 HG13 ILE A 59 3.415 9.171 -44.279 1.00 1.18 H new ATOM 0 HG21 ILE A 59 1.192 10.006 -45.766 1.00 0.77 H new ATOM 0 HG22 ILE A 59 1.111 11.762 -46.046 1.00 0.77 H new ATOM 0 HG23 ILE A 59 2.114 10.738 -47.101 1.00 0.77 H new ATOM 0 HD11 ILE A 59 4.529 8.129 -46.191 1.00 0.80 H new ATOM 0 HD12 ILE A 59 2.899 8.681 -46.646 1.00 0.80 H new ATOM 0 HD13 ILE A 59 4.327 9.619 -47.142 1.00 0.80 H new ATOM 903 N VAL A 60 5.892 12.329 -46.713 1.00 0.39 N ATOM 904 CA VAL A 60 6.833 12.053 -47.782 1.00 0.42 C ATOM 905 C VAL A 60 7.664 10.833 -47.409 1.00 0.40 C ATOM 906 O VAL A 60 8.498 10.898 -46.505 1.00 0.44 O ATOM 907 CB VAL A 60 7.758 13.264 -48.035 1.00 0.51 C ATOM 908 CG1 VAL A 60 8.794 12.949 -49.094 1.00 0.58 C ATOM 909 CG2 VAL A 60 6.943 14.483 -48.434 1.00 0.58 C ATOM 0 H VAL A 60 6.318 12.726 -45.875 1.00 0.39 H new ATOM 0 HA VAL A 60 6.277 11.859 -48.699 1.00 0.42 H new ATOM 0 HB VAL A 60 8.283 13.485 -47.106 1.00 0.51 H new ATOM 0 HG11 VAL A 60 9.431 13.820 -49.251 1.00 0.58 H new ATOM 0 HG12 VAL A 60 9.405 12.107 -48.767 1.00 0.58 H new ATOM 0 HG13 VAL A 60 8.294 12.693 -50.028 1.00 0.58 H new ATOM 0 HG21 VAL A 60 7.611 15.326 -48.608 1.00 0.58 H new ATOM 0 HG22 VAL A 60 6.387 14.266 -49.346 1.00 0.58 H new ATOM 0 HG23 VAL A 60 6.245 14.732 -47.634 1.00 0.58 H new ATOM 919 N SER A 61 7.423 9.720 -48.082 1.00 0.39 N ATOM 920 CA SER A 61 8.039 8.458 -47.702 1.00 0.42 C ATOM 921 C SER A 61 8.175 7.512 -48.887 1.00 0.42 C ATOM 922 O SER A 61 7.437 7.612 -49.868 1.00 0.43 O ATOM 923 CB SER A 61 7.221 7.781 -46.601 1.00 0.45 C ATOM 924 OG SER A 61 7.719 6.484 -46.317 1.00 0.84 O ATOM 0 H SER A 61 6.807 9.664 -48.893 1.00 0.39 H new ATOM 0 HA SER A 61 9.040 8.684 -47.334 1.00 0.42 H new ATOM 0 HB2 SER A 61 7.248 8.390 -45.697 1.00 0.45 H new ATOM 0 HB3 SER A 61 6.177 7.714 -46.909 1.00 0.45 H new ATOM 0 HG SER A 61 8.026 6.448 -45.387 1.00 0.84 H new ATOM 930 N ASN A 62 9.143 6.602 -48.784 1.00 0.51 N ATOM 931 CA ASN A 62 9.312 5.529 -49.760 1.00 0.57 C ATOM 932 C ASN A 62 8.084 4.620 -49.773 1.00 0.56 C ATOM 933 O ASN A 62 7.856 3.885 -50.732 1.00 0.59 O ATOM 934 CB ASN A 62 10.565 4.700 -49.448 1.00 0.75 C ATOM 935 CG ASN A 62 11.864 5.447 -49.702 1.00 0.86 C ATOM 936 OD1 ASN A 62 12.847 5.262 -48.984 1.00 1.67 O ATOM 937 ND2 ASN A 62 11.892 6.275 -50.739 1.00 0.76 N ATOM 0 H ASN A 62 9.827 6.588 -48.027 1.00 0.51 H new ATOM 0 HA ASN A 62 9.429 5.985 -50.743 1.00 0.57 H new ATOM 0 HB2 ASN A 62 10.533 4.387 -48.405 1.00 0.75 H new ATOM 0 HB3 ASN A 62 10.552 3.794 -50.054 1.00 0.75 H new ATOM 0 HD21 ASN A 62 12.748 6.783 -50.963 1.00 0.76 H new ATOM 0 HD22 ASN A 62 11.058 6.403 -51.312 1.00 0.76 H new ATOM 944 N ASN A 63 7.305 4.682 -48.692 1.00 0.57 N ATOM 945 CA ASN A 63 6.051 3.936 -48.569 1.00 0.66 C ATOM 946 C ASN A 63 5.165 4.133 -49.798 1.00 0.67 C ATOM 947 O ASN A 63 4.647 3.173 -50.369 1.00 0.86 O ATOM 948 CB ASN A 63 5.302 4.399 -47.310 1.00 0.73 C ATOM 949 CG ASN A 63 3.904 3.818 -47.194 1.00 1.03 C ATOM 950 OD1 ASN A 63 2.934 4.389 -47.690 1.00 1.81 O ATOM 951 ND2 ASN A 63 3.787 2.687 -46.520 1.00 1.00 N ATOM 0 H ASN A 63 7.526 5.252 -47.875 1.00 0.57 H new ATOM 0 HA ASN A 63 6.289 2.875 -48.491 1.00 0.66 H new ATOM 0 HB2 ASN A 63 5.879 4.118 -46.429 1.00 0.73 H new ATOM 0 HB3 ASN A 63 5.236 5.487 -47.314 1.00 0.73 H new ATOM 0 HD21 ASN A 63 2.869 2.259 -46.397 1.00 1.00 H new ATOM 0 HD22 ASN A 63 4.614 2.242 -46.123 1.00 1.00 H new ATOM 958 N PHE A 64 5.026 5.380 -50.216 1.00 0.60 N ATOM 959 CA PHE A 64 4.139 5.729 -51.315 1.00 0.67 C ATOM 960 C PHE A 64 4.905 5.769 -52.641 1.00 0.60 C ATOM 961 O PHE A 64 4.339 6.040 -53.698 1.00 0.65 O ATOM 962 CB PHE A 64 3.475 7.079 -51.009 1.00 0.80 C ATOM 963 CG PHE A 64 2.507 7.557 -52.056 1.00 1.48 C ATOM 964 CD1 PHE A 64 1.321 6.879 -52.286 1.00 1.84 C ATOM 965 CD2 PHE A 64 2.786 8.685 -52.812 1.00 2.11 C ATOM 966 CE1 PHE A 64 0.432 7.316 -53.250 1.00 2.66 C ATOM 967 CE2 PHE A 64 1.903 9.127 -53.777 1.00 2.95 C ATOM 968 CZ PHE A 64 0.723 8.442 -53.996 1.00 3.19 C ATOM 0 H PHE A 64 5.520 6.174 -49.808 1.00 0.60 H new ATOM 0 HA PHE A 64 3.365 4.968 -51.417 1.00 0.67 H new ATOM 0 HB2 PHE A 64 2.950 7.002 -50.057 1.00 0.80 H new ATOM 0 HB3 PHE A 64 4.254 7.831 -50.884 1.00 0.80 H new ATOM 0 HD1 PHE A 64 1.088 5.999 -51.705 1.00 1.84 H new ATOM 0 HD2 PHE A 64 3.706 9.225 -52.644 1.00 2.11 H new ATOM 0 HE1 PHE A 64 -0.489 6.778 -53.420 1.00 2.66 H new ATOM 0 HE2 PHE A 64 2.134 10.007 -54.360 1.00 2.95 H new ATOM 0 HZ PHE A 64 0.029 8.786 -54.749 1.00 3.19 H new ATOM 978 N GLU A 65 6.188 5.441 -52.587 1.00 0.58 N ATOM 979 CA GLU A 65 7.045 5.506 -53.741 1.00 0.61 C ATOM 980 C GLU A 65 6.924 4.209 -54.541 1.00 0.65 C ATOM 981 O GLU A 65 7.121 4.184 -55.753 1.00 0.75 O ATOM 982 CB GLU A 65 8.472 5.767 -53.248 1.00 0.71 C ATOM 983 CG GLU A 65 9.542 5.022 -53.998 1.00 0.87 C ATOM 984 CD GLU A 65 9.900 5.670 -55.322 1.00 1.55 C ATOM 985 OE1 GLU A 65 10.493 6.769 -55.306 1.00 2.11 O ATOM 986 OE2 GLU A 65 9.599 5.086 -56.385 1.00 2.14 O ATOM 0 H GLU A 65 6.655 5.124 -51.738 1.00 0.58 H new ATOM 0 HA GLU A 65 6.758 6.315 -54.413 1.00 0.61 H new ATOM 0 HB2 GLU A 65 8.676 6.836 -53.317 1.00 0.71 H new ATOM 0 HB3 GLU A 65 8.532 5.498 -52.193 1.00 0.71 H new ATOM 0 HG2 GLU A 65 10.436 4.959 -53.377 1.00 0.87 H new ATOM 0 HG3 GLU A 65 9.207 4.001 -54.179 1.00 0.87 H new ATOM 993 N ASP A 66 6.532 3.142 -53.854 1.00 0.69 N ATOM 994 CA ASP A 66 6.387 1.833 -54.484 1.00 0.84 C ATOM 995 C ASP A 66 5.089 1.770 -55.299 1.00 0.80 C ATOM 996 O ASP A 66 4.760 0.742 -55.893 1.00 0.93 O ATOM 997 CB ASP A 66 6.418 0.737 -53.414 1.00 1.00 C ATOM 998 CG ASP A 66 6.683 -0.645 -53.984 1.00 1.40 C ATOM 999 OD1 ASP A 66 7.694 -0.818 -54.696 1.00 2.03 O ATOM 1000 OD2 ASP A 66 5.893 -1.568 -53.715 1.00 1.94 O ATOM 0 H ASP A 66 6.308 3.157 -52.859 1.00 0.69 H new ATOM 0 HA ASP A 66 7.219 1.673 -55.170 1.00 0.84 H new ATOM 0 HB2 ASP A 66 7.189 0.975 -52.681 1.00 1.00 H new ATOM 0 HB3 ASP A 66 5.466 0.728 -52.884 1.00 1.00 H new ATOM 1005 N LYS A 67 4.365 2.894 -55.310 1.00 0.78 N ATOM 1006 CA LYS A 67 3.143 3.071 -56.106 1.00 0.88 C ATOM 1007 C LYS A 67 1.983 2.215 -55.603 1.00 0.78 C ATOM 1008 O LYS A 67 0.952 2.112 -56.268 1.00 0.86 O ATOM 1009 CB LYS A 67 3.386 2.767 -57.588 1.00 1.17 C ATOM 1010 CG LYS A 67 4.347 3.722 -58.273 1.00 1.67 C ATOM 1011 CD LYS A 67 4.306 3.542 -59.782 1.00 2.00 C ATOM 1012 CE LYS A 67 5.296 4.455 -60.481 1.00 2.46 C ATOM 1013 NZ LYS A 67 5.084 4.485 -61.954 1.00 3.31 N ATOM 0 H LYS A 67 4.613 3.717 -54.760 1.00 0.78 H new ATOM 0 HA LYS A 67 2.868 4.120 -55.992 1.00 0.88 H new ATOM 0 HB2 LYS A 67 3.774 1.752 -57.680 1.00 1.17 H new ATOM 0 HB3 LYS A 67 2.431 2.792 -58.113 1.00 1.17 H new ATOM 0 HG2 LYS A 67 4.088 4.750 -58.018 1.00 1.67 H new ATOM 0 HG3 LYS A 67 5.360 3.548 -57.909 1.00 1.67 H new ATOM 0 HD2 LYS A 67 4.528 2.504 -60.031 1.00 2.00 H new ATOM 0 HD3 LYS A 67 3.300 3.749 -60.146 1.00 2.00 H new ATOM 0 HE2 LYS A 67 5.203 5.465 -60.081 1.00 2.46 H new ATOM 0 HE3 LYS A 67 6.311 4.120 -60.268 1.00 2.46 H new ATOM 0 HZ1 LYS A 67 5.781 5.120 -62.392 1.00 3.31 H new ATOM 0 HZ2 LYS A 67 5.198 3.526 -62.341 1.00 3.31 H new ATOM 0 HZ3 LYS A 67 4.124 4.829 -62.160 1.00 3.31 H new ATOM 1027 N LYS A 68 2.125 1.619 -54.432 1.00 0.83 N ATOM 1028 CA LYS A 68 1.070 0.762 -53.916 1.00 0.90 C ATOM 1029 C LYS A 68 0.018 1.596 -53.199 1.00 0.82 C ATOM 1030 O LYS A 68 0.107 1.831 -51.992 1.00 0.87 O ATOM 1031 CB LYS A 68 1.646 -0.282 -52.960 1.00 1.16 C ATOM 1032 CG LYS A 68 2.909 -0.957 -53.470 1.00 1.35 C ATOM 1033 CD LYS A 68 2.674 -1.758 -54.747 1.00 1.37 C ATOM 1034 CE LYS A 68 1.812 -2.987 -54.503 1.00 1.55 C ATOM 1035 NZ LYS A 68 2.307 -3.795 -53.357 1.00 1.99 N ATOM 0 H LYS A 68 2.943 1.709 -53.830 1.00 0.83 H new ATOM 0 HA LYS A 68 0.604 0.247 -54.756 1.00 0.90 H new ATOM 0 HB2 LYS A 68 1.862 0.195 -52.004 1.00 1.16 H new ATOM 0 HB3 LYS A 68 0.890 -1.044 -52.772 1.00 1.16 H new ATOM 0 HG2 LYS A 68 3.671 -0.200 -53.656 1.00 1.35 H new ATOM 0 HG3 LYS A 68 3.299 -1.619 -52.697 1.00 1.35 H new ATOM 0 HD2 LYS A 68 2.194 -1.121 -55.490 1.00 1.37 H new ATOM 0 HD3 LYS A 68 3.633 -2.066 -55.163 1.00 1.37 H new ATOM 0 HE2 LYS A 68 0.785 -2.677 -54.311 1.00 1.55 H new ATOM 0 HE3 LYS A 68 1.797 -3.604 -55.402 1.00 1.55 H new ATOM 0 HZ1 LYS A 68 1.985 -4.779 -53.461 1.00 1.99 H new ATOM 0 HZ2 LYS A 68 3.347 -3.771 -53.339 1.00 1.99 H new ATOM 0 HZ3 LYS A 68 1.936 -3.402 -52.469 1.00 1.99 H new ATOM 1049 N LEU A 69 -0.977 2.047 -53.949 1.00 0.84 N ATOM 1050 CA LEU A 69 -2.046 2.856 -53.384 1.00 0.91 C ATOM 1051 C LEU A 69 -2.993 2.005 -52.545 1.00 0.85 C ATOM 1052 O LEU A 69 -3.524 2.464 -51.536 1.00 0.83 O ATOM 1053 CB LEU A 69 -2.788 3.626 -54.489 1.00 1.16 C ATOM 1054 CG LEU A 69 -3.247 2.806 -55.703 1.00 1.63 C ATOM 1055 CD1 LEU A 69 -4.589 2.144 -55.440 1.00 1.97 C ATOM 1056 CD2 LEU A 69 -3.318 3.687 -56.940 1.00 2.33 C ATOM 0 H LEU A 69 -1.066 1.867 -54.949 1.00 0.84 H new ATOM 0 HA LEU A 69 -1.603 3.593 -52.715 1.00 0.91 H new ATOM 0 HB2 LEU A 69 -3.664 4.100 -54.046 1.00 1.16 H new ATOM 0 HB3 LEU A 69 -2.138 4.426 -54.843 1.00 1.16 H new ATOM 0 HG LEU A 69 -2.514 2.018 -55.878 1.00 1.63 H new ATOM 0 HD11 LEU A 69 -4.890 1.570 -56.317 1.00 1.97 H new ATOM 0 HD12 LEU A 69 -4.504 1.478 -54.582 1.00 1.97 H new ATOM 0 HD13 LEU A 69 -5.338 2.909 -55.233 1.00 1.97 H new ATOM 0 HD21 LEU A 69 -3.645 3.092 -57.792 1.00 2.33 H new ATOM 0 HD22 LEU A 69 -4.027 4.497 -56.770 1.00 2.33 H new ATOM 0 HD23 LEU A 69 -2.333 4.105 -57.146 1.00 2.33 H new ATOM 1068 N LEU A 70 -3.195 0.761 -52.964 1.00 0.89 N ATOM 1069 CA LEU A 70 -4.052 -0.154 -52.223 1.00 0.91 C ATOM 1070 C LEU A 70 -3.426 -0.524 -50.876 1.00 0.79 C ATOM 1071 O LEU A 70 -4.135 -0.696 -49.883 1.00 0.80 O ATOM 1072 CB LEU A 70 -4.427 -1.407 -53.066 1.00 1.06 C ATOM 1073 CG LEU A 70 -3.328 -2.436 -53.440 1.00 1.09 C ATOM 1074 CD1 LEU A 70 -2.084 -1.783 -54.026 1.00 1.03 C ATOM 1075 CD2 LEU A 70 -2.974 -3.328 -52.258 1.00 1.07 C ATOM 0 H LEU A 70 -2.780 0.366 -53.808 1.00 0.89 H new ATOM 0 HA LEU A 70 -4.988 0.364 -52.012 1.00 0.91 H new ATOM 0 HB2 LEU A 70 -5.205 -1.944 -52.524 1.00 1.06 H new ATOM 0 HB3 LEU A 70 -4.872 -1.053 -53.996 1.00 1.06 H new ATOM 0 HG LEU A 70 -3.751 -3.064 -54.224 1.00 1.09 H new ATOM 0 HD11 LEU A 70 -1.350 -2.551 -54.269 1.00 1.03 H new ATOM 0 HD12 LEU A 70 -2.351 -1.238 -54.931 1.00 1.03 H new ATOM 0 HD13 LEU A 70 -1.659 -1.092 -53.298 1.00 1.03 H new ATOM 0 HD21 LEU A 70 -2.201 -4.037 -52.556 1.00 1.07 H new ATOM 0 HD22 LEU A 70 -2.606 -2.714 -51.436 1.00 1.07 H new ATOM 0 HD23 LEU A 70 -3.861 -3.873 -51.935 1.00 1.07 H new ATOM 1087 N ASP A 71 -2.100 -0.612 -50.834 1.00 0.72 N ATOM 1088 CA ASP A 71 -1.407 -0.987 -49.607 1.00 0.70 C ATOM 1089 C ASP A 71 -1.413 0.153 -48.604 1.00 0.63 C ATOM 1090 O ASP A 71 -1.712 -0.058 -47.433 1.00 0.63 O ATOM 1091 CB ASP A 71 0.022 -1.454 -49.885 1.00 0.77 C ATOM 1092 CG ASP A 71 0.063 -2.852 -50.472 1.00 1.25 C ATOM 1093 OD1 ASP A 71 -0.391 -3.803 -49.797 1.00 1.58 O ATOM 1094 OD2 ASP A 71 0.545 -3.007 -51.610 1.00 2.08 O ATOM 0 H ASP A 71 -1.488 -0.430 -51.629 1.00 0.72 H new ATOM 0 HA ASP A 71 -1.951 -1.826 -49.174 1.00 0.70 H new ATOM 0 HB2 ASP A 71 0.503 -0.758 -50.573 1.00 0.77 H new ATOM 0 HB3 ASP A 71 0.596 -1.434 -48.959 1.00 0.77 H new ATOM 1099 N ARG A 72 -1.102 1.364 -49.051 1.00 0.67 N ATOM 1100 CA ARG A 72 -1.156 2.513 -48.155 1.00 0.74 C ATOM 1101 C ARG A 72 -2.581 2.700 -47.633 1.00 0.67 C ATOM 1102 O ARG A 72 -2.782 3.087 -46.489 1.00 0.68 O ATOM 1103 CB ARG A 72 -0.673 3.800 -48.836 1.00 0.92 C ATOM 1104 CG ARG A 72 -1.478 4.193 -50.062 1.00 1.31 C ATOM 1105 CD ARG A 72 -1.363 5.678 -50.360 1.00 1.53 C ATOM 1106 NE ARG A 72 -1.968 6.494 -49.306 1.00 1.92 N ATOM 1107 CZ ARG A 72 -3.031 7.280 -49.492 1.00 2.22 C ATOM 1108 NH1 ARG A 72 -3.600 7.353 -50.689 1.00 2.39 N ATOM 1109 NH2 ARG A 72 -3.523 7.990 -48.480 1.00 2.93 N ATOM 0 H ARG A 72 -0.816 1.574 -50.007 1.00 0.67 H new ATOM 0 HA ARG A 72 -0.482 2.312 -47.322 1.00 0.74 H new ATOM 0 HB2 ARG A 72 -0.709 4.616 -48.114 1.00 0.92 H new ATOM 0 HB3 ARG A 72 0.371 3.676 -49.125 1.00 0.92 H new ATOM 0 HG2 ARG A 72 -1.131 3.622 -50.923 1.00 1.31 H new ATOM 0 HG3 ARG A 72 -2.525 3.933 -49.908 1.00 1.31 H new ATOM 0 HD2 ARG A 72 -0.312 5.946 -50.469 1.00 1.53 H new ATOM 0 HD3 ARG A 72 -1.848 5.896 -51.312 1.00 1.53 H new ATOM 0 HE ARG A 72 -1.553 6.460 -48.375 1.00 1.92 H new ATOM 0 HH11 ARG A 72 -3.225 6.809 -51.466 1.00 2.39 H new ATOM 0 HH12 ARG A 72 -4.412 7.953 -50.832 1.00 2.39 H new ATOM 0 HH21 ARG A 72 -3.088 7.935 -47.559 1.00 2.93 H new ATOM 0 HH22 ARG A 72 -4.335 8.590 -48.625 1.00 2.93 H new ATOM 1123 N HIS A 73 -3.563 2.394 -48.478 1.00 0.68 N ATOM 1124 CA HIS A 73 -4.966 2.508 -48.098 1.00 0.71 C ATOM 1125 C HIS A 73 -5.289 1.524 -46.974 1.00 0.62 C ATOM 1126 O HIS A 73 -5.844 1.909 -45.946 1.00 0.62 O ATOM 1127 CB HIS A 73 -5.869 2.244 -49.313 1.00 0.82 C ATOM 1128 CG HIS A 73 -7.314 2.587 -49.097 1.00 0.93 C ATOM 1129 ND1 HIS A 73 -7.908 3.712 -49.633 1.00 1.11 N ATOM 1130 CD2 HIS A 73 -8.293 1.941 -48.416 1.00 1.00 C ATOM 1131 CE1 HIS A 73 -9.182 3.741 -49.293 1.00 1.21 C ATOM 1132 NE2 HIS A 73 -9.439 2.680 -48.556 1.00 1.15 N ATOM 0 H HIS A 73 -3.411 2.065 -49.431 1.00 0.68 H new ATOM 0 HA HIS A 73 -5.151 3.521 -47.740 1.00 0.71 H new ATOM 0 HB2 HIS A 73 -5.495 2.818 -50.160 1.00 0.82 H new ATOM 0 HB3 HIS A 73 -5.795 1.191 -49.584 1.00 0.82 H new ATOM 0 HD2 HIS A 73 -8.189 1.017 -47.866 1.00 1.00 H new ATOM 0 HE1 HIS A 73 -9.893 4.505 -49.571 1.00 1.21 H new ATOM 0 HE2 HIS A 73 -10.346 2.446 -48.153 1.00 1.15 H new ATOM 1141 N ARG A 74 -4.918 0.262 -47.173 1.00 0.60 N ATOM 1142 CA ARG A 74 -5.209 -0.790 -46.201 1.00 0.59 C ATOM 1143 C ARG A 74 -4.442 -0.557 -44.896 1.00 0.51 C ATOM 1144 O ARG A 74 -4.959 -0.818 -43.810 1.00 0.52 O ATOM 1145 CB ARG A 74 -4.881 -2.176 -46.789 1.00 0.68 C ATOM 1146 CG ARG A 74 -3.393 -2.454 -46.932 1.00 0.74 C ATOM 1147 CD ARG A 74 -3.098 -3.489 -48.006 1.00 0.86 C ATOM 1148 NE ARG A 74 -3.681 -4.794 -47.713 1.00 0.88 N ATOM 1149 CZ ARG A 74 -3.142 -5.948 -48.104 1.00 1.20 C ATOM 1150 NH1 ARG A 74 -1.980 -5.963 -48.753 1.00 1.67 N ATOM 1151 NH2 ARG A 74 -3.768 -7.086 -47.833 1.00 1.32 N ATOM 0 H ARG A 74 -4.414 -0.058 -48.000 1.00 0.60 H new ATOM 0 HA ARG A 74 -6.275 -0.758 -45.974 1.00 0.59 H new ATOM 0 HB2 ARG A 74 -5.323 -2.943 -46.153 1.00 0.68 H new ATOM 0 HB3 ARG A 74 -5.352 -2.264 -47.768 1.00 0.68 H new ATOM 0 HG2 ARG A 74 -2.874 -1.526 -47.173 1.00 0.74 H new ATOM 0 HG3 ARG A 74 -2.998 -2.802 -45.978 1.00 0.74 H new ATOM 0 HD2 ARG A 74 -3.481 -3.132 -48.962 1.00 0.86 H new ATOM 0 HD3 ARG A 74 -2.019 -3.595 -48.114 1.00 0.86 H new ATOM 0 HE ARG A 74 -4.550 -4.825 -47.179 1.00 0.88 H new ATOM 0 HH11 ARG A 74 -1.497 -5.088 -48.954 1.00 1.67 H new ATOM 0 HH12 ARG A 74 -1.573 -6.850 -49.050 1.00 1.67 H new ATOM 0 HH21 ARG A 74 -4.655 -7.073 -47.329 1.00 1.32 H new ATOM 0 HH22 ARG A 74 -3.363 -7.974 -48.129 1.00 1.32 H new ATOM 1165 N LEU A 75 -3.215 -0.049 -45.006 1.00 0.47 N ATOM 1166 CA LEU A 75 -2.401 0.246 -43.830 1.00 0.46 C ATOM 1167 C LEU A 75 -3.011 1.385 -43.027 1.00 0.42 C ATOM 1168 O LEU A 75 -3.257 1.248 -41.826 1.00 0.42 O ATOM 1169 CB LEU A 75 -0.968 0.603 -44.234 1.00 0.51 C ATOM 1170 CG LEU A 75 -0.160 -0.535 -44.863 1.00 0.79 C ATOM 1171 CD1 LEU A 75 1.218 -0.041 -45.273 1.00 1.48 C ATOM 1172 CD2 LEU A 75 -0.043 -1.706 -43.899 1.00 1.36 C ATOM 0 H LEU A 75 -2.765 0.166 -45.896 1.00 0.47 H new ATOM 0 HA LEU A 75 -2.375 -0.649 -43.209 1.00 0.46 H new ATOM 0 HB2 LEU A 75 -1.004 1.433 -44.939 1.00 0.51 H new ATOM 0 HB3 LEU A 75 -0.437 0.958 -43.350 1.00 0.51 H new ATOM 0 HG LEU A 75 -0.684 -0.879 -45.755 1.00 0.79 H new ATOM 0 HD11 LEU A 75 1.781 -0.861 -45.719 1.00 1.48 H new ATOM 0 HD12 LEU A 75 1.114 0.765 -46.000 1.00 1.48 H new ATOM 0 HD13 LEU A 75 1.748 0.328 -44.395 1.00 1.48 H new ATOM 0 HD21 LEU A 75 0.535 -2.504 -44.365 1.00 1.36 H new ATOM 0 HD22 LEU A 75 0.459 -1.379 -42.988 1.00 1.36 H new ATOM 0 HD23 LEU A 75 -1.039 -2.075 -43.652 1.00 1.36 H new ATOM 1184 N VAL A 76 -3.270 2.502 -43.702 1.00 0.45 N ATOM 1185 CA VAL A 76 -3.856 3.671 -43.060 1.00 0.50 C ATOM 1186 C VAL A 76 -5.197 3.327 -42.425 1.00 0.48 C ATOM 1187 O VAL A 76 -5.460 3.704 -41.291 1.00 0.50 O ATOM 1188 CB VAL A 76 -4.029 4.842 -44.057 1.00 0.61 C ATOM 1189 CG1 VAL A 76 -4.862 5.965 -43.452 1.00 0.73 C ATOM 1190 CG2 VAL A 76 -2.669 5.374 -44.488 1.00 0.82 C ATOM 0 H VAL A 76 -3.082 2.620 -44.697 1.00 0.45 H new ATOM 0 HA VAL A 76 -3.166 3.989 -42.279 1.00 0.50 H new ATOM 0 HB VAL A 76 -4.557 4.462 -44.931 1.00 0.61 H new ATOM 0 HG11 VAL A 76 -4.965 6.772 -44.177 1.00 0.73 H new ATOM 0 HG12 VAL A 76 -5.849 5.585 -43.189 1.00 0.73 H new ATOM 0 HG13 VAL A 76 -4.368 6.342 -42.556 1.00 0.73 H new ATOM 0 HG21 VAL A 76 -2.806 6.197 -45.189 1.00 0.82 H new ATOM 0 HG22 VAL A 76 -2.123 5.729 -43.614 1.00 0.82 H new ATOM 0 HG23 VAL A 76 -2.103 4.577 -44.970 1.00 0.82 H new ATOM 1200 N ASN A 77 -6.029 2.585 -43.141 1.00 0.48 N ATOM 1201 CA ASN A 77 -7.348 2.227 -42.632 1.00 0.53 C ATOM 1202 C ASN A 77 -7.252 1.385 -41.365 1.00 0.49 C ATOM 1203 O ASN A 77 -7.991 1.614 -40.416 1.00 0.54 O ATOM 1204 CB ASN A 77 -8.170 1.474 -43.684 1.00 0.61 C ATOM 1205 CG ASN A 77 -8.910 2.394 -44.641 1.00 0.76 C ATOM 1206 OD1 ASN A 77 -10.001 2.062 -45.109 1.00 1.14 O ATOM 1207 ND2 ASN A 77 -8.329 3.546 -44.946 1.00 0.92 N ATOM 0 H ASN A 77 -5.818 2.220 -44.070 1.00 0.48 H new ATOM 0 HA ASN A 77 -7.853 3.163 -42.393 1.00 0.53 H new ATOM 0 HB2 ASN A 77 -7.508 0.824 -44.255 1.00 0.61 H new ATOM 0 HB3 ASN A 77 -8.891 0.831 -43.179 1.00 0.61 H new ATOM 0 HD21 ASN A 77 -8.786 4.193 -45.589 1.00 0.92 H new ATOM 0 HD22 ASN A 77 -7.425 3.785 -44.538 1.00 0.92 H new ATOM 1214 N THR A 78 -6.329 0.432 -41.340 1.00 0.45 N ATOM 1215 CA THR A 78 -6.227 -0.494 -40.214 1.00 0.50 C ATOM 1216 C THR A 78 -5.736 0.212 -38.947 1.00 0.46 C ATOM 1217 O THR A 78 -6.331 0.079 -37.878 1.00 0.50 O ATOM 1218 CB THR A 78 -5.283 -1.668 -40.547 1.00 0.57 C ATOM 1219 OG1 THR A 78 -5.715 -2.314 -41.753 1.00 0.62 O ATOM 1220 CG2 THR A 78 -5.250 -2.683 -39.415 1.00 0.69 C ATOM 0 H THR A 78 -5.644 0.279 -42.080 1.00 0.45 H new ATOM 0 HA THR A 78 -7.229 -0.882 -40.029 1.00 0.50 H new ATOM 0 HB THR A 78 -4.279 -1.266 -40.682 1.00 0.57 H new ATOM 0 HG1 THR A 78 -5.184 -1.986 -42.508 1.00 0.62 H new ATOM 0 HG21 THR A 78 -4.577 -3.499 -39.678 1.00 0.69 H new ATOM 0 HG22 THR A 78 -4.897 -2.200 -38.504 1.00 0.69 H new ATOM 0 HG23 THR A 78 -6.253 -3.078 -39.251 1.00 0.69 H new ATOM 1228 N ILE A 79 -4.661 0.974 -39.081 1.00 0.44 N ATOM 1229 CA ILE A 79 -4.052 1.654 -37.943 1.00 0.45 C ATOM 1230 C ILE A 79 -4.883 2.865 -37.532 1.00 0.45 C ATOM 1231 O ILE A 79 -5.259 3.026 -36.362 1.00 0.50 O ATOM 1232 CB ILE A 79 -2.620 2.111 -38.292 1.00 0.51 C ATOM 1233 CG1 ILE A 79 -1.800 0.916 -38.787 1.00 0.66 C ATOM 1234 CG2 ILE A 79 -1.950 2.763 -37.086 1.00 0.59 C ATOM 1235 CD1 ILE A 79 -0.557 1.307 -39.553 1.00 0.77 C ATOM 0 H ILE A 79 -4.189 1.139 -39.970 1.00 0.44 H new ATOM 0 HA ILE A 79 -4.013 0.950 -37.112 1.00 0.45 H new ATOM 0 HB ILE A 79 -2.673 2.855 -39.087 1.00 0.51 H new ATOM 0 HG12 ILE A 79 -1.512 0.305 -37.931 1.00 0.66 H new ATOM 0 HG13 ILE A 79 -2.429 0.295 -39.425 1.00 0.66 H new ATOM 0 HG21 ILE A 79 -0.942 3.077 -37.356 1.00 0.59 H new ATOM 0 HG22 ILE A 79 -2.529 3.632 -36.773 1.00 0.59 H new ATOM 0 HG23 ILE A 79 -1.900 2.046 -36.266 1.00 0.59 H new ATOM 0 HD11 ILE A 79 -0.028 0.409 -39.871 1.00 0.77 H new ATOM 0 HD12 ILE A 79 -0.838 1.892 -40.429 1.00 0.77 H new ATOM 0 HD13 ILE A 79 0.093 1.903 -38.912 1.00 0.77 H new ATOM 1247 N LEU A 80 -5.199 3.700 -38.508 1.00 0.45 N ATOM 1248 CA LEU A 80 -5.910 4.932 -38.241 1.00 0.52 C ATOM 1249 C LEU A 80 -7.388 4.676 -37.991 1.00 0.56 C ATOM 1250 O LEU A 80 -8.111 5.594 -37.650 1.00 0.63 O ATOM 1251 CB LEU A 80 -5.727 5.954 -39.370 1.00 0.56 C ATOM 1252 CG LEU A 80 -4.382 6.696 -39.382 1.00 0.61 C ATOM 1253 CD1 LEU A 80 -3.234 5.763 -39.736 1.00 0.78 C ATOM 1254 CD2 LEU A 80 -4.433 7.866 -40.350 1.00 0.71 C ATOM 0 H LEU A 80 -4.973 3.544 -39.490 1.00 0.45 H new ATOM 0 HA LEU A 80 -5.477 5.355 -37.335 1.00 0.52 H new ATOM 0 HB2 LEU A 80 -5.847 5.440 -40.324 1.00 0.56 H new ATOM 0 HB3 LEU A 80 -6.527 6.691 -39.302 1.00 0.56 H new ATOM 0 HG LEU A 80 -4.202 7.077 -38.377 1.00 0.61 H new ATOM 0 HD11 LEU A 80 -2.298 6.321 -39.735 1.00 0.78 H new ATOM 0 HD12 LEU A 80 -3.178 4.960 -39.001 1.00 0.78 H new ATOM 0 HD13 LEU A 80 -3.402 5.338 -40.726 1.00 0.78 H new ATOM 0 HD21 LEU A 80 -3.473 8.382 -40.348 1.00 0.71 H new ATOM 0 HD22 LEU A 80 -4.645 7.499 -41.354 1.00 0.71 H new ATOM 0 HD23 LEU A 80 -5.218 8.558 -40.044 1.00 0.71 H new ATOM 1266 N LYS A 81 -7.839 3.435 -38.153 1.00 0.57 N ATOM 1267 CA LYS A 81 -9.203 3.086 -37.770 1.00 0.68 C ATOM 1268 C LYS A 81 -9.456 3.521 -36.334 1.00 0.68 C ATOM 1269 O LYS A 81 -10.282 4.392 -36.069 1.00 0.72 O ATOM 1270 CB LYS A 81 -9.433 1.573 -37.896 1.00 0.77 C ATOM 1271 CG LYS A 81 -10.798 1.114 -37.403 1.00 1.02 C ATOM 1272 CD LYS A 81 -11.932 1.705 -38.225 1.00 0.99 C ATOM 1273 CE LYS A 81 -11.966 1.133 -39.635 1.00 1.56 C ATOM 1274 NZ LYS A 81 -13.141 1.620 -40.403 1.00 1.93 N ATOM 0 H LYS A 81 -7.291 2.667 -38.540 1.00 0.57 H new ATOM 0 HA LYS A 81 -9.894 3.600 -38.439 1.00 0.68 H new ATOM 0 HB2 LYS A 81 -9.319 1.284 -38.941 1.00 0.77 H new ATOM 0 HB3 LYS A 81 -8.660 1.050 -37.334 1.00 0.77 H new ATOM 0 HG2 LYS A 81 -10.850 0.026 -37.444 1.00 1.02 H new ATOM 0 HG3 LYS A 81 -10.921 1.400 -36.358 1.00 1.02 H new ATOM 0 HD2 LYS A 81 -12.882 1.506 -37.729 1.00 0.99 H new ATOM 0 HD3 LYS A 81 -11.819 2.788 -38.275 1.00 0.99 H new ATOM 0 HE2 LYS A 81 -11.051 1.407 -40.160 1.00 1.56 H new ATOM 0 HE3 LYS A 81 -11.991 0.044 -39.585 1.00 1.56 H new ATOM 0 HZ1 LYS A 81 -13.127 1.207 -41.358 1.00 1.93 H new ATOM 0 HZ2 LYS A 81 -14.015 1.337 -39.916 1.00 1.93 H new ATOM 0 HZ3 LYS A 81 -13.104 2.657 -40.474 1.00 1.93 H new ATOM 1288 N GLU A 82 -8.719 2.925 -35.416 1.00 0.69 N ATOM 1289 CA GLU A 82 -8.829 3.262 -34.008 1.00 0.73 C ATOM 1290 C GLU A 82 -8.150 4.599 -33.711 1.00 0.67 C ATOM 1291 O GLU A 82 -8.565 5.324 -32.810 1.00 0.68 O ATOM 1292 CB GLU A 82 -8.233 2.141 -33.159 1.00 0.90 C ATOM 1293 CG GLU A 82 -8.840 0.783 -33.470 1.00 1.53 C ATOM 1294 CD GLU A 82 -8.195 -0.347 -32.699 1.00 2.23 C ATOM 1295 OE1 GLU A 82 -7.155 -0.864 -33.153 1.00 2.91 O ATOM 1296 OE2 GLU A 82 -8.741 -0.739 -31.644 1.00 2.75 O ATOM 0 H GLU A 82 -8.032 2.199 -35.622 1.00 0.69 H new ATOM 0 HA GLU A 82 -9.884 3.368 -33.754 1.00 0.73 H new ATOM 0 HB2 GLU A 82 -7.156 2.099 -33.324 1.00 0.90 H new ATOM 0 HB3 GLU A 82 -8.385 2.369 -32.104 1.00 0.90 H new ATOM 0 HG2 GLU A 82 -9.906 0.808 -33.243 1.00 1.53 H new ATOM 0 HG3 GLU A 82 -8.746 0.586 -34.538 1.00 1.53 H new ATOM 1303 N GLU A 83 -7.105 4.917 -34.473 1.00 0.64 N ATOM 1304 CA GLU A 83 -6.385 6.176 -34.309 1.00 0.64 C ATOM 1305 C GLU A 83 -7.324 7.381 -34.430 1.00 0.55 C ATOM 1306 O GLU A 83 -7.395 8.224 -33.532 1.00 0.58 O ATOM 1307 CB GLU A 83 -5.301 6.274 -35.372 1.00 0.70 C ATOM 1308 CG GLU A 83 -4.415 7.487 -35.230 1.00 0.64 C ATOM 1309 CD GLU A 83 -3.404 7.327 -34.116 1.00 1.03 C ATOM 1310 OE1 GLU A 83 -3.805 7.331 -32.931 1.00 1.46 O ATOM 1311 OE2 GLU A 83 -2.207 7.163 -34.412 1.00 1.66 O ATOM 0 H GLU A 83 -6.738 4.317 -35.212 1.00 0.64 H new ATOM 0 HA GLU A 83 -5.944 6.189 -33.312 1.00 0.64 H new ATOM 0 HB2 GLU A 83 -4.683 5.377 -35.330 1.00 0.70 H new ATOM 0 HB3 GLU A 83 -5.771 6.292 -36.356 1.00 0.70 H new ATOM 0 HG2 GLU A 83 -3.893 7.666 -36.170 1.00 0.64 H new ATOM 0 HG3 GLU A 83 -5.031 8.365 -35.036 1.00 0.64 H new ATOM 1318 N LEU A 84 -8.052 7.429 -35.547 1.00 0.49 N ATOM 1319 CA LEU A 84 -8.983 8.519 -35.854 1.00 0.48 C ATOM 1320 C LEU A 84 -9.943 8.805 -34.708 1.00 0.52 C ATOM 1321 O LEU A 84 -10.392 9.930 -34.559 1.00 0.58 O ATOM 1322 CB LEU A 84 -9.802 8.226 -37.120 1.00 0.50 C ATOM 1323 CG LEU A 84 -9.010 8.103 -38.425 1.00 0.47 C ATOM 1324 CD1 LEU A 84 -9.952 7.913 -39.601 1.00 0.56 C ATOM 1325 CD2 LEU A 84 -8.121 9.314 -38.648 1.00 0.51 C ATOM 0 H LEU A 84 -8.013 6.709 -36.269 1.00 0.49 H new ATOM 0 HA LEU A 84 -8.360 9.398 -36.017 1.00 0.48 H new ATOM 0 HB2 LEU A 84 -10.352 7.298 -36.965 1.00 0.50 H new ATOM 0 HB3 LEU A 84 -10.541 9.018 -37.241 1.00 0.50 H new ATOM 0 HG LEU A 84 -8.367 7.227 -38.345 1.00 0.47 H new ATOM 0 HD11 LEU A 84 -9.373 7.827 -40.521 1.00 0.56 H new ATOM 0 HD12 LEU A 84 -10.538 7.005 -39.455 1.00 0.56 H new ATOM 0 HD13 LEU A 84 -10.622 8.770 -39.673 1.00 0.56 H new ATOM 0 HD21 LEU A 84 -7.572 9.196 -39.582 1.00 0.51 H new ATOM 0 HD22 LEU A 84 -8.736 10.212 -38.700 1.00 0.51 H new ATOM 0 HD23 LEU A 84 -7.415 9.404 -37.822 1.00 0.51 H new ATOM 1337 N GLN A 85 -10.286 7.785 -33.921 1.00 0.57 N ATOM 1338 CA GLN A 85 -11.257 7.949 -32.838 1.00 0.67 C ATOM 1339 C GLN A 85 -10.851 9.088 -31.890 1.00 0.70 C ATOM 1340 O GLN A 85 -11.706 9.734 -31.283 1.00 0.81 O ATOM 1341 CB GLN A 85 -11.421 6.657 -32.026 1.00 0.75 C ATOM 1342 CG GLN A 85 -11.772 5.413 -32.840 1.00 0.80 C ATOM 1343 CD GLN A 85 -12.812 5.658 -33.920 1.00 0.76 C ATOM 1344 OE1 GLN A 85 -14.017 5.628 -33.667 1.00 0.92 O ATOM 1345 NE2 GLN A 85 -12.350 5.831 -35.144 1.00 0.72 N ATOM 0 H GLN A 85 -9.909 6.842 -34.012 1.00 0.57 H new ATOM 0 HA GLN A 85 -12.209 8.195 -33.309 1.00 0.67 H new ATOM 0 HB2 GLN A 85 -10.494 6.467 -31.485 1.00 0.75 H new ATOM 0 HB3 GLN A 85 -12.199 6.813 -31.279 1.00 0.75 H new ATOM 0 HG2 GLN A 85 -10.865 5.026 -33.304 1.00 0.80 H new ATOM 0 HG3 GLN A 85 -12.139 4.640 -32.165 1.00 0.80 H new ATOM 0 HE21 GLN A 85 -11.344 5.850 -35.311 1.00 0.72 H new ATOM 0 HE22 GLN A 85 -12.999 5.946 -35.923 1.00 0.72 H new ATOM 1354 N ASN A 86 -9.549 9.346 -31.782 1.00 0.64 N ATOM 1355 CA ASN A 86 -9.045 10.389 -30.886 1.00 0.71 C ATOM 1356 C ASN A 86 -8.904 11.720 -31.622 1.00 0.67 C ATOM 1357 O ASN A 86 -8.482 12.723 -31.045 1.00 0.77 O ATOM 1358 CB ASN A 86 -7.689 9.990 -30.293 1.00 0.75 C ATOM 1359 CG ASN A 86 -7.762 8.746 -29.429 1.00 0.85 C ATOM 1360 OD1 ASN A 86 -8.044 8.821 -28.233 1.00 1.02 O ATOM 1361 ND2 ASN A 86 -7.483 7.595 -30.023 1.00 0.87 N ATOM 0 H ASN A 86 -8.825 8.850 -32.301 1.00 0.64 H new ATOM 0 HA ASN A 86 -9.768 10.505 -30.078 1.00 0.71 H new ATOM 0 HB2 ASN A 86 -6.980 9.821 -31.103 1.00 0.75 H new ATOM 0 HB3 ASN A 86 -7.302 10.817 -29.698 1.00 0.75 H new ATOM 0 HD21 ASN A 86 -7.497 6.728 -29.486 1.00 0.87 H new ATOM 0 HD22 ASN A 86 -7.254 7.576 -31.017 1.00 0.87 H new ATOM 1368 N ILE A 87 -9.262 11.722 -32.897 1.00 0.61 N ATOM 1369 CA ILE A 87 -9.128 12.905 -33.732 1.00 0.62 C ATOM 1370 C ILE A 87 -10.487 13.295 -34.298 1.00 0.67 C ATOM 1371 O ILE A 87 -11.302 12.434 -34.622 1.00 0.77 O ATOM 1372 CB ILE A 87 -8.152 12.661 -34.908 1.00 0.58 C ATOM 1373 CG1 ILE A 87 -6.917 11.895 -34.431 1.00 0.55 C ATOM 1374 CG2 ILE A 87 -7.741 13.985 -35.543 1.00 0.68 C ATOM 1375 CD1 ILE A 87 -5.912 11.601 -35.525 1.00 0.59 C ATOM 0 H ILE A 87 -9.650 10.911 -33.378 1.00 0.61 H new ATOM 0 HA ILE A 87 -8.732 13.706 -33.108 1.00 0.62 H new ATOM 0 HB ILE A 87 -8.664 12.059 -35.659 1.00 0.58 H new ATOM 0 HG12 ILE A 87 -6.426 12.471 -33.646 1.00 0.55 H new ATOM 0 HG13 ILE A 87 -7.237 10.954 -33.983 1.00 0.55 H new ATOM 0 HG21 ILE A 87 -7.055 13.795 -36.368 1.00 0.68 H new ATOM 0 HG22 ILE A 87 -8.626 14.499 -35.918 1.00 0.68 H new ATOM 0 HG23 ILE A 87 -7.248 14.609 -34.797 1.00 0.68 H new ATOM 0 HD11 ILE A 87 -5.066 11.056 -35.105 1.00 0.59 H new ATOM 0 HD12 ILE A 87 -6.384 10.997 -36.300 1.00 0.59 H new ATOM 0 HD13 ILE A 87 -5.561 12.538 -35.958 1.00 0.59 H new ATOM 1387 N HIS A 88 -10.740 14.585 -34.407 1.00 0.71 N ATOM 1388 CA HIS A 88 -11.983 15.052 -34.997 1.00 0.80 C ATOM 1389 C HIS A 88 -11.904 14.943 -36.514 1.00 0.76 C ATOM 1390 O HIS A 88 -12.832 14.458 -37.162 1.00 0.89 O ATOM 1391 CB HIS A 88 -12.275 16.493 -34.581 1.00 0.95 C ATOM 1392 CG HIS A 88 -13.645 16.967 -34.967 1.00 1.08 C ATOM 1393 ND1 HIS A 88 -14.745 16.840 -34.147 1.00 1.37 N ATOM 1394 CD2 HIS A 88 -14.092 17.565 -36.099 1.00 1.48 C ATOM 1395 CE1 HIS A 88 -15.806 17.335 -34.757 1.00 1.75 C ATOM 1396 NE2 HIS A 88 -15.435 17.782 -35.940 1.00 1.85 N ATOM 0 H HIS A 88 -10.108 15.324 -34.098 1.00 0.71 H new ATOM 0 HA HIS A 88 -12.798 14.426 -34.635 1.00 0.80 H new ATOM 0 HB2 HIS A 88 -12.161 16.580 -33.500 1.00 0.95 H new ATOM 0 HB3 HIS A 88 -11.532 17.150 -35.033 1.00 0.95 H new ATOM 0 HD2 HIS A 88 -13.500 17.822 -36.965 1.00 1.48 H new ATOM 0 HE1 HIS A 88 -16.808 17.368 -34.355 1.00 1.75 H new ATOM 0 HE2 HIS A 88 -16.049 18.219 -36.627 1.00 1.85 H new ATOM 1405 N ALA A 89 -10.788 15.394 -37.074 1.00 0.69 N ATOM 1406 CA ALA A 89 -10.571 15.325 -38.511 1.00 0.68 C ATOM 1407 C ALA A 89 -9.081 15.279 -38.837 1.00 0.62 C ATOM 1408 O ALA A 89 -8.385 16.293 -38.756 1.00 0.73 O ATOM 1409 CB ALA A 89 -11.229 16.509 -39.207 1.00 0.78 C ATOM 0 H ALA A 89 -10.018 15.812 -36.552 1.00 0.69 H new ATOM 0 HA ALA A 89 -11.028 14.406 -38.878 1.00 0.68 H new ATOM 0 HB1 ALA A 89 -11.057 16.441 -40.281 1.00 0.78 H new ATOM 0 HB2 ALA A 89 -12.301 16.497 -39.010 1.00 0.78 H new ATOM 0 HB3 ALA A 89 -10.801 17.437 -38.829 1.00 0.78 H new ATOM 1415 N PHE A 90 -8.589 14.094 -39.166 1.00 0.52 N ATOM 1416 CA PHE A 90 -7.207 13.935 -39.591 1.00 0.47 C ATOM 1417 C PHE A 90 -7.135 13.786 -41.108 1.00 0.48 C ATOM 1418 O PHE A 90 -7.879 13.004 -41.700 1.00 0.63 O ATOM 1419 CB PHE A 90 -6.576 12.716 -38.912 1.00 0.50 C ATOM 1420 CG PHE A 90 -5.123 12.515 -39.246 1.00 0.48 C ATOM 1421 CD1 PHE A 90 -4.144 13.251 -38.600 1.00 0.48 C ATOM 1422 CD2 PHE A 90 -4.739 11.591 -40.203 1.00 0.51 C ATOM 1423 CE1 PHE A 90 -2.808 13.068 -38.903 1.00 0.49 C ATOM 1424 CE2 PHE A 90 -3.405 11.404 -40.511 1.00 0.51 C ATOM 1425 CZ PHE A 90 -2.439 12.145 -39.861 1.00 0.49 C ATOM 0 H PHE A 90 -9.127 13.228 -39.147 1.00 0.52 H new ATOM 0 HA PHE A 90 -6.650 14.825 -39.298 1.00 0.47 H new ATOM 0 HB2 PHE A 90 -6.679 12.820 -37.832 1.00 0.50 H new ATOM 0 HB3 PHE A 90 -7.132 11.824 -39.201 1.00 0.50 H new ATOM 0 HD1 PHE A 90 -4.427 13.976 -37.851 1.00 0.48 H new ATOM 0 HD2 PHE A 90 -5.491 11.009 -40.715 1.00 0.51 H new ATOM 0 HE1 PHE A 90 -2.053 13.647 -38.391 1.00 0.49 H new ATOM 0 HE2 PHE A 90 -3.119 10.679 -41.259 1.00 0.51 H new ATOM 0 HZ PHE A 90 -1.396 12.003 -40.101 1.00 0.49 H new ATOM 1435 N SER A 91 -6.244 14.543 -41.724 1.00 0.44 N ATOM 1436 CA SER A 91 -6.032 14.481 -43.159 1.00 0.48 C ATOM 1437 C SER A 91 -4.572 14.142 -43.444 1.00 0.45 C ATOM 1438 O SER A 91 -3.706 14.349 -42.591 1.00 0.52 O ATOM 1439 CB SER A 91 -6.417 15.821 -43.800 1.00 0.56 C ATOM 1440 OG SER A 91 -6.119 15.845 -45.187 1.00 1.27 O ATOM 0 H SER A 91 -5.648 15.217 -41.244 1.00 0.44 H new ATOM 0 HA SER A 91 -6.661 13.702 -43.590 1.00 0.48 H new ATOM 0 HB2 SER A 91 -7.482 16.002 -43.654 1.00 0.56 H new ATOM 0 HB3 SER A 91 -5.885 16.630 -43.300 1.00 0.56 H new ATOM 0 HG SER A 91 -5.231 16.237 -45.324 1.00 1.27 H new ATOM 1446 N MET A 92 -4.300 13.605 -44.625 1.00 0.48 N ATOM 1447 CA MET A 92 -2.941 13.241 -44.993 1.00 0.48 C ATOM 1448 C MET A 92 -2.693 13.488 -46.478 1.00 0.53 C ATOM 1449 O MET A 92 -3.560 13.241 -47.317 1.00 0.62 O ATOM 1450 CB MET A 92 -2.649 11.772 -44.640 1.00 0.52 C ATOM 1451 CG MET A 92 -3.339 10.744 -45.536 1.00 0.61 C ATOM 1452 SD MET A 92 -5.139 10.752 -45.392 1.00 0.64 S ATOM 1453 CE MET A 92 -5.351 10.319 -43.665 1.00 0.64 C ATOM 0 H MET A 92 -5.000 13.413 -45.342 1.00 0.48 H new ATOM 0 HA MET A 92 -2.262 13.873 -44.421 1.00 0.48 H new ATOM 0 HB2 MET A 92 -1.572 11.609 -44.688 1.00 0.52 H new ATOM 0 HB3 MET A 92 -2.952 11.595 -43.608 1.00 0.52 H new ATOM 0 HG2 MET A 92 -3.065 10.936 -46.573 1.00 0.61 H new ATOM 0 HG3 MET A 92 -2.967 9.750 -45.287 1.00 0.61 H new ATOM 0 HE1 MET A 92 -6.343 9.891 -43.516 1.00 0.64 H new ATOM 0 HE2 MET A 92 -4.594 9.589 -43.377 1.00 0.64 H new ATOM 0 HE3 MET A 92 -5.245 11.213 -43.050 1.00 0.64 H new ATOM 1463 N LYS A 93 -1.509 13.993 -46.785 1.00 0.52 N ATOM 1464 CA LYS A 93 -1.098 14.244 -48.161 1.00 0.59 C ATOM 1465 C LYS A 93 0.166 13.450 -48.457 1.00 0.49 C ATOM 1466 O LYS A 93 1.234 13.763 -47.935 1.00 0.42 O ATOM 1467 CB LYS A 93 -0.848 15.740 -48.371 1.00 0.70 C ATOM 1468 CG LYS A 93 -2.042 16.605 -48.006 1.00 1.14 C ATOM 1469 CD LYS A 93 -3.201 16.394 -48.965 1.00 1.44 C ATOM 1470 CE LYS A 93 -4.507 16.916 -48.388 1.00 1.93 C ATOM 1471 NZ LYS A 93 -4.390 18.313 -47.894 1.00 2.23 N ATOM 0 H LYS A 93 -0.805 14.241 -46.090 1.00 0.52 H new ATOM 0 HA LYS A 93 -1.889 13.929 -48.841 1.00 0.59 H new ATOM 0 HB2 LYS A 93 0.010 16.046 -47.772 1.00 0.70 H new ATOM 0 HB3 LYS A 93 -0.587 15.915 -49.415 1.00 0.70 H new ATOM 0 HG2 LYS A 93 -2.363 16.373 -46.990 1.00 1.14 H new ATOM 0 HG3 LYS A 93 -1.748 17.655 -48.016 1.00 1.14 H new ATOM 0 HD2 LYS A 93 -2.991 16.900 -49.907 1.00 1.44 H new ATOM 0 HD3 LYS A 93 -3.300 15.332 -49.189 1.00 1.44 H new ATOM 0 HE2 LYS A 93 -5.283 16.867 -49.151 1.00 1.93 H new ATOM 0 HE3 LYS A 93 -4.824 16.269 -47.570 1.00 1.93 H new ATOM 0 HZ1 LYS A 93 -5.296 18.612 -47.480 1.00 2.23 H new ATOM 0 HZ2 LYS A 93 -3.645 18.364 -47.170 1.00 2.23 H new ATOM 0 HZ3 LYS A 93 -4.147 18.942 -48.686 1.00 2.23 H new ATOM 1485 N CYS A 94 0.046 12.418 -49.276 1.00 0.56 N ATOM 1486 CA CYS A 94 1.155 11.502 -49.502 1.00 0.54 C ATOM 1487 C CYS A 94 1.909 11.816 -50.788 1.00 0.52 C ATOM 1488 O CYS A 94 1.311 11.996 -51.850 1.00 0.64 O ATOM 1489 CB CYS A 94 0.648 10.058 -49.522 1.00 0.73 C ATOM 1490 SG CYS A 94 -0.781 9.788 -50.598 1.00 1.38 S ATOM 0 H CYS A 94 -0.803 12.193 -49.794 1.00 0.56 H new ATOM 0 HA CYS A 94 1.857 11.629 -48.678 1.00 0.54 H new ATOM 0 HB2 CYS A 94 1.459 9.405 -49.843 1.00 0.73 H new ATOM 0 HB3 CYS A 94 0.385 9.763 -48.506 1.00 0.73 H new ATOM 0 HG CYS A 94 -0.468 8.938 -51.530 1.00 1.38 H new ATOM 1496 N HIS A 95 3.229 11.886 -50.676 1.00 0.44 N ATOM 1497 CA HIS A 95 4.103 12.057 -51.827 1.00 0.50 C ATOM 1498 C HIS A 95 5.438 11.368 -51.581 1.00 0.44 C ATOM 1499 O HIS A 95 5.686 10.844 -50.496 1.00 0.44 O ATOM 1500 CB HIS A 95 4.325 13.537 -52.153 1.00 0.62 C ATOM 1501 CG HIS A 95 3.426 14.051 -53.239 1.00 0.95 C ATOM 1502 ND1 HIS A 95 3.084 15.377 -53.374 1.00 1.36 N ATOM 1503 CD2 HIS A 95 2.819 13.403 -54.263 1.00 1.84 C ATOM 1504 CE1 HIS A 95 2.306 15.524 -54.431 1.00 1.65 C ATOM 1505 NE2 HIS A 95 2.129 14.341 -54.988 1.00 1.98 N ATOM 0 H HIS A 95 3.723 11.826 -49.785 1.00 0.44 H new ATOM 0 HA HIS A 95 3.614 11.597 -52.686 1.00 0.50 H new ATOM 0 HB2 HIS A 95 4.166 14.128 -51.251 1.00 0.62 H new ATOM 0 HB3 HIS A 95 5.363 13.684 -52.451 1.00 0.62 H new ATOM 0 HD2 HIS A 95 2.869 12.344 -54.470 1.00 1.84 H new ATOM 0 HE1 HIS A 95 1.886 16.455 -54.781 1.00 1.65 H new ATOM 0 HE2 HIS A 95 1.571 14.155 -55.821 1.00 1.98 H new ATOM 1514 N THR A 96 6.293 11.370 -52.590 1.00 0.46 N ATOM 1515 CA THR A 96 7.564 10.673 -52.514 1.00 0.49 C ATOM 1516 C THR A 96 8.714 11.646 -52.281 1.00 0.46 C ATOM 1517 O THR A 96 8.588 12.845 -52.549 1.00 0.47 O ATOM 1518 CB THR A 96 7.820 9.886 -53.808 1.00 0.58 C ATOM 1519 OG1 THR A 96 7.821 10.782 -54.925 1.00 0.76 O ATOM 1520 CG2 THR A 96 6.756 8.822 -54.003 1.00 0.65 C ATOM 0 H THR A 96 6.128 11.849 -53.475 1.00 0.46 H new ATOM 0 HA THR A 96 7.512 9.984 -51.671 1.00 0.49 H new ATOM 0 HB THR A 96 8.791 9.397 -53.734 1.00 0.58 H new ATOM 0 HG1 THR A 96 7.986 10.278 -55.749 1.00 0.76 H new ATOM 0 HG21 THR A 96 6.954 8.275 -54.925 1.00 0.65 H new ATOM 0 HG22 THR A 96 6.773 8.131 -53.160 1.00 0.65 H new ATOM 0 HG23 THR A 96 5.776 9.295 -54.065 1.00 0.65 H new ATOM 1528 N PRO A 97 9.854 11.142 -51.771 1.00 0.47 N ATOM 1529 CA PRO A 97 11.056 11.954 -51.570 1.00 0.48 C ATOM 1530 C PRO A 97 11.584 12.512 -52.885 1.00 0.52 C ATOM 1531 O PRO A 97 12.223 13.559 -52.910 1.00 0.54 O ATOM 1532 CB PRO A 97 12.065 10.976 -50.955 1.00 0.53 C ATOM 1533 CG PRO A 97 11.547 9.621 -51.290 1.00 0.72 C ATOM 1534 CD PRO A 97 10.052 9.751 -51.331 1.00 0.51 C ATOM 0 HA PRO A 97 10.863 12.822 -50.940 1.00 0.48 H new ATOM 0 HB2 PRO A 97 13.063 11.129 -51.366 1.00 0.53 H new ATOM 0 HB3 PRO A 97 12.140 11.114 -49.876 1.00 0.53 H new ATOM 0 HG2 PRO A 97 11.936 9.280 -52.250 1.00 0.72 H new ATOM 0 HG3 PRO A 97 11.855 8.889 -50.543 1.00 0.72 H new ATOM 0 HD2 PRO A 97 9.604 9.040 -52.025 1.00 0.51 H new ATOM 0 HD3 PRO A 97 9.604 9.569 -50.354 1.00 0.51 H new ATOM 1542 N LEU A 98 11.290 11.809 -53.976 1.00 0.60 N ATOM 1543 CA LEU A 98 11.696 12.237 -55.306 1.00 0.71 C ATOM 1544 C LEU A 98 11.013 13.560 -55.644 1.00 0.66 C ATOM 1545 O LEU A 98 11.661 14.521 -56.067 1.00 0.71 O ATOM 1546 CB LEU A 98 11.324 11.156 -56.334 1.00 0.88 C ATOM 1547 CG LEU A 98 12.235 11.048 -57.565 1.00 1.34 C ATOM 1548 CD1 LEU A 98 12.166 12.302 -58.424 1.00 2.08 C ATOM 1549 CD2 LEU A 98 13.668 10.772 -57.137 1.00 1.78 C ATOM 0 H LEU A 98 10.767 10.933 -53.961 1.00 0.60 H new ATOM 0 HA LEU A 98 12.776 12.383 -55.333 1.00 0.71 H new ATOM 0 HB2 LEU A 98 11.316 10.191 -55.828 1.00 0.88 H new ATOM 0 HB3 LEU A 98 10.307 11.345 -56.676 1.00 0.88 H new ATOM 0 HG LEU A 98 11.880 10.215 -58.171 1.00 1.34 H new ATOM 0 HD11 LEU A 98 12.824 12.189 -59.286 1.00 2.08 H new ATOM 0 HD12 LEU A 98 11.142 12.453 -58.766 1.00 2.08 H new ATOM 0 HD13 LEU A 98 12.483 13.164 -57.836 1.00 2.08 H new ATOM 0 HD21 LEU A 98 14.303 10.698 -58.020 1.00 1.78 H new ATOM 0 HD22 LEU A 98 14.021 11.585 -56.503 1.00 1.78 H new ATOM 0 HD23 LEU A 98 13.708 9.835 -56.581 1.00 1.78 H new ATOM 1561 N GLU A 99 9.703 13.603 -55.428 1.00 0.65 N ATOM 1562 CA GLU A 99 8.919 14.810 -55.659 1.00 0.72 C ATOM 1563 C GLU A 99 9.404 15.943 -54.765 1.00 0.64 C ATOM 1564 O GLU A 99 9.660 17.052 -55.234 1.00 0.71 O ATOM 1565 CB GLU A 99 7.438 14.541 -55.387 1.00 0.88 C ATOM 1566 CG GLU A 99 6.827 13.501 -56.307 1.00 1.19 C ATOM 1567 CD GLU A 99 6.821 13.941 -57.755 1.00 1.91 C ATOM 1568 OE1 GLU A 99 7.827 13.720 -58.456 1.00 2.44 O ATOM 1569 OE2 GLU A 99 5.804 14.510 -58.196 1.00 2.69 O ATOM 0 H GLU A 99 9.159 12.809 -55.091 1.00 0.65 H new ATOM 0 HA GLU A 99 9.045 15.103 -56.701 1.00 0.72 H new ATOM 0 HB2 GLU A 99 7.321 14.213 -54.354 1.00 0.88 H new ATOM 0 HB3 GLU A 99 6.884 15.474 -55.489 1.00 0.88 H new ATOM 0 HG2 GLU A 99 7.384 12.568 -56.216 1.00 1.19 H new ATOM 0 HG3 GLU A 99 5.805 13.295 -55.989 1.00 1.19 H new ATOM 1576 N TYR A 100 9.539 15.647 -53.475 1.00 0.57 N ATOM 1577 CA TYR A 100 9.973 16.639 -52.500 1.00 0.63 C ATOM 1578 C TYR A 100 11.353 17.184 -52.856 1.00 0.66 C ATOM 1579 O TYR A 100 11.591 18.391 -52.782 1.00 0.76 O ATOM 1580 CB TYR A 100 9.991 16.033 -51.093 1.00 0.67 C ATOM 1581 CG TYR A 100 10.512 16.980 -50.033 1.00 0.85 C ATOM 1582 CD1 TYR A 100 9.751 18.061 -49.608 1.00 0.98 C ATOM 1583 CD2 TYR A 100 11.767 16.798 -49.467 1.00 0.96 C ATOM 1584 CE1 TYR A 100 10.227 18.934 -48.648 1.00 1.17 C ATOM 1585 CE2 TYR A 100 12.248 17.664 -48.504 1.00 1.15 C ATOM 1586 CZ TYR A 100 11.475 18.732 -48.100 1.00 1.24 C ATOM 1587 OH TYR A 100 11.953 19.600 -47.147 1.00 1.46 O ATOM 0 H TYR A 100 9.353 14.725 -53.081 1.00 0.57 H new ATOM 0 HA TYR A 100 9.262 17.465 -52.518 1.00 0.63 H new ATOM 0 HB2 TYR A 100 8.980 15.723 -50.827 1.00 0.67 H new ATOM 0 HB3 TYR A 100 10.608 15.135 -51.101 1.00 0.67 H new ATOM 0 HD1 TYR A 100 8.772 18.222 -50.034 1.00 0.98 H new ATOM 0 HD2 TYR A 100 12.377 15.966 -49.785 1.00 0.96 H new ATOM 0 HE1 TYR A 100 9.623 19.771 -48.329 1.00 1.17 H new ATOM 0 HE2 TYR A 100 13.224 17.505 -48.070 1.00 1.15 H new ATOM 0 HH TYR A 100 11.549 19.389 -46.280 1.00 1.46 H new ATOM 1597 N ASP A 101 12.252 16.290 -53.254 1.00 0.66 N ATOM 1598 CA ASP A 101 13.617 16.668 -53.608 1.00 0.78 C ATOM 1599 C ASP A 101 13.624 17.630 -54.790 1.00 0.81 C ATOM 1600 O ASP A 101 14.416 18.566 -54.830 1.00 0.93 O ATOM 1601 CB ASP A 101 14.447 15.427 -53.936 1.00 0.88 C ATOM 1602 CG ASP A 101 15.885 15.758 -54.275 1.00 1.07 C ATOM 1603 OD1 ASP A 101 16.695 15.951 -53.346 1.00 1.23 O ATOM 1604 OD2 ASP A 101 16.220 15.808 -55.475 1.00 1.14 O ATOM 0 H ASP A 101 12.059 15.292 -53.340 1.00 0.66 H new ATOM 0 HA ASP A 101 14.062 17.172 -52.750 1.00 0.78 H new ATOM 0 HB2 ASP A 101 14.426 14.746 -53.085 1.00 0.88 H new ATOM 0 HB3 ASP A 101 13.992 14.902 -54.776 1.00 0.88 H new ATOM 1609 N LYS A 102 12.724 17.405 -55.740 1.00 0.75 N ATOM 1610 CA LYS A 102 12.590 18.291 -56.895 1.00 0.84 C ATOM 1611 C LYS A 102 12.120 19.679 -56.468 1.00 0.89 C ATOM 1612 O LYS A 102 12.583 20.694 -56.998 1.00 1.05 O ATOM 1613 CB LYS A 102 11.617 17.692 -57.917 1.00 0.88 C ATOM 1614 CG LYS A 102 12.280 16.962 -59.085 1.00 1.03 C ATOM 1615 CD LYS A 102 13.350 15.974 -58.637 1.00 1.09 C ATOM 1616 CE LYS A 102 14.719 16.636 -58.555 1.00 1.86 C ATOM 1617 NZ LYS A 102 15.774 15.692 -58.108 1.00 2.66 N ATOM 0 H LYS A 102 12.076 16.618 -55.735 1.00 0.75 H new ATOM 0 HA LYS A 102 13.571 18.392 -57.360 1.00 0.84 H new ATOM 0 HB2 LYS A 102 10.954 16.997 -57.402 1.00 0.88 H new ATOM 0 HB3 LYS A 102 10.993 18.492 -58.315 1.00 0.88 H new ATOM 0 HG2 LYS A 102 11.518 16.430 -59.654 1.00 1.03 H new ATOM 0 HG3 LYS A 102 12.727 17.694 -59.757 1.00 1.03 H new ATOM 0 HD2 LYS A 102 13.084 15.564 -57.663 1.00 1.09 H new ATOM 0 HD3 LYS A 102 13.390 15.138 -59.335 1.00 1.09 H new ATOM 0 HE2 LYS A 102 14.985 17.039 -59.532 1.00 1.86 H new ATOM 0 HE3 LYS A 102 14.672 17.479 -57.865 1.00 1.86 H new ATOM 0 HZ1 LYS A 102 15.964 15.838 -57.096 1.00 2.66 H new ATOM 0 HZ2 LYS A 102 15.454 14.715 -58.263 1.00 2.66 H new ATOM 0 HZ3 LYS A 102 16.644 15.861 -58.652 1.00 2.66 H new ATOM 1631 N LEU A 103 11.218 19.715 -55.495 1.00 0.83 N ATOM 1632 CA LEU A 103 10.674 20.974 -54.997 1.00 0.97 C ATOM 1633 C LEU A 103 11.761 21.795 -54.305 1.00 1.12 C ATOM 1634 O LEU A 103 11.944 22.974 -54.600 1.00 1.31 O ATOM 1635 CB LEU A 103 9.521 20.714 -54.021 1.00 0.98 C ATOM 1636 CG LEU A 103 8.405 19.804 -54.543 1.00 0.91 C ATOM 1637 CD1 LEU A 103 7.304 19.663 -53.505 1.00 1.01 C ATOM 1638 CD2 LEU A 103 7.840 20.334 -55.852 1.00 1.00 C ATOM 0 H LEU A 103 10.846 18.885 -55.033 1.00 0.83 H new ATOM 0 HA LEU A 103 10.296 21.538 -55.850 1.00 0.97 H new ATOM 0 HB2 LEU A 103 9.930 20.272 -53.112 1.00 0.98 H new ATOM 0 HB3 LEU A 103 9.083 21.672 -53.741 1.00 0.98 H new ATOM 0 HG LEU A 103 8.831 18.819 -54.732 1.00 0.91 H new ATOM 0 HD11 LEU A 103 6.519 19.013 -53.893 1.00 1.01 H new ATOM 0 HD12 LEU A 103 7.716 19.230 -52.594 1.00 1.01 H new ATOM 0 HD13 LEU A 103 6.885 20.645 -53.283 1.00 1.01 H new ATOM 0 HD21 LEU A 103 7.049 19.670 -56.202 1.00 1.00 H new ATOM 0 HD22 LEU A 103 7.433 21.333 -55.695 1.00 1.00 H new ATOM 0 HD23 LEU A 103 8.633 20.379 -56.599 1.00 1.00 H new ATOM 1650 N LYS A 104 12.487 21.156 -53.394 1.00 1.09 N ATOM 1651 CA LYS A 104 13.540 21.831 -52.639 1.00 1.27 C ATOM 1652 C LYS A 104 14.746 22.153 -53.521 1.00 1.37 C ATOM 1653 O LYS A 104 15.455 23.131 -53.276 1.00 1.56 O ATOM 1654 CB LYS A 104 13.985 20.974 -51.447 1.00 1.32 C ATOM 1655 CG LYS A 104 14.260 19.523 -51.809 1.00 1.07 C ATOM 1656 CD LYS A 104 15.035 18.795 -50.725 1.00 1.22 C ATOM 1657 CE LYS A 104 16.475 19.273 -50.668 1.00 1.45 C ATOM 1658 NZ LYS A 104 17.299 18.459 -49.737 1.00 1.84 N ATOM 0 H LYS A 104 12.366 20.171 -53.159 1.00 1.09 H new ATOM 0 HA LYS A 104 13.125 22.770 -52.272 1.00 1.27 H new ATOM 0 HB2 LYS A 104 14.886 21.409 -51.014 1.00 1.32 H new ATOM 0 HB3 LYS A 104 13.213 21.008 -50.678 1.00 1.32 H new ATOM 0 HG2 LYS A 104 13.315 19.009 -51.984 1.00 1.07 H new ATOM 0 HG3 LYS A 104 14.822 19.484 -52.742 1.00 1.07 H new ATOM 0 HD2 LYS A 104 14.556 18.958 -49.759 1.00 1.22 H new ATOM 0 HD3 LYS A 104 15.012 17.722 -50.915 1.00 1.22 H new ATOM 0 HE2 LYS A 104 16.910 19.232 -51.667 1.00 1.45 H new ATOM 0 HE3 LYS A 104 16.498 20.316 -50.353 1.00 1.45 H new ATOM 0 HZ1 LYS A 104 18.274 18.821 -49.730 1.00 1.84 H new ATOM 0 HZ2 LYS A 104 16.901 18.518 -48.778 1.00 1.84 H new ATOM 0 HZ3 LYS A 104 17.300 17.467 -50.051 1.00 1.84 H new ATOM 1672 N SER A 105 14.972 21.329 -54.539 1.00 1.32 N ATOM 1673 CA SER A 105 16.121 21.488 -55.422 1.00 1.51 C ATOM 1674 C SER A 105 16.096 22.845 -56.120 1.00 1.66 C ATOM 1675 O SER A 105 17.045 23.626 -56.022 1.00 1.77 O ATOM 1676 CB SER A 105 16.143 20.362 -56.462 1.00 1.59 C ATOM 1677 OG SER A 105 17.318 20.405 -57.253 1.00 2.05 O ATOM 0 H SER A 105 14.370 20.540 -54.773 1.00 1.32 H new ATOM 0 HA SER A 105 17.025 21.436 -54.815 1.00 1.51 H new ATOM 0 HB2 SER A 105 16.079 19.398 -55.957 1.00 1.59 H new ATOM 0 HB3 SER A 105 15.267 20.443 -57.106 1.00 1.59 H new ATOM 0 HG SER A 105 17.301 19.673 -57.904 1.00 2.05 H new ATOM 1683 N LYS A 106 15.006 23.130 -56.815 1.00 1.79 N ATOM 1684 CA LYS A 106 14.906 24.364 -57.579 1.00 2.10 C ATOM 1685 C LYS A 106 13.717 25.213 -57.134 1.00 2.28 C ATOM 1686 O LYS A 106 13.881 26.369 -56.743 1.00 2.61 O ATOM 1687 CB LYS A 106 14.816 24.038 -59.071 1.00 2.43 C ATOM 1688 CG LYS A 106 13.713 23.050 -59.417 1.00 2.59 C ATOM 1689 CD LYS A 106 13.791 22.580 -60.857 1.00 2.88 C ATOM 1690 CE LYS A 106 13.310 23.635 -61.851 1.00 3.39 C ATOM 1691 NZ LYS A 106 14.226 24.804 -61.948 1.00 4.02 N ATOM 0 H LYS A 106 14.184 22.529 -56.866 1.00 1.79 H new ATOM 0 HA LYS A 106 15.803 24.954 -57.394 1.00 2.10 H new ATOM 0 HB2 LYS A 106 14.651 24.962 -59.626 1.00 2.43 H new ATOM 0 HB3 LYS A 106 15.772 23.633 -59.403 1.00 2.43 H new ATOM 0 HG2 LYS A 106 13.778 22.189 -58.752 1.00 2.59 H new ATOM 0 HG3 LYS A 106 12.743 23.516 -59.241 1.00 2.59 H new ATOM 0 HD2 LYS A 106 14.821 22.310 -61.091 1.00 2.88 H new ATOM 0 HD3 LYS A 106 13.191 21.678 -60.973 1.00 2.88 H new ATOM 0 HE2 LYS A 106 13.207 23.178 -62.835 1.00 3.39 H new ATOM 0 HE3 LYS A 106 12.319 23.980 -61.555 1.00 3.39 H new ATOM 0 HZ1 LYS A 106 14.266 25.133 -62.934 1.00 4.02 H new ATOM 0 HZ2 LYS A 106 13.875 25.572 -61.341 1.00 4.02 H new ATOM 0 HZ3 LYS A 106 15.179 24.525 -61.637 1.00 4.02 H new ATOM 1705 N GLY A 107 12.526 24.634 -57.178 1.00 2.51 N ATOM 1706 CA GLY A 107 11.330 25.378 -56.846 1.00 2.97 C ATOM 1707 C GLY A 107 10.259 25.228 -57.904 1.00 3.39 C ATOM 1708 O GLY A 107 9.749 26.216 -58.436 1.00 3.92 O ATOM 0 H GLY A 107 12.367 23.661 -57.438 1.00 2.51 H new ATOM 0 HA2 GLY A 107 10.943 25.034 -55.887 1.00 2.97 H new ATOM 0 HA3 GLY A 107 11.579 26.433 -56.729 1.00 2.97 H new ATOM 1712 N SER A 108 9.939 23.988 -58.230 1.00 3.41 N ATOM 1713 CA SER A 108 8.886 23.696 -59.183 1.00 4.00 C ATOM 1714 C SER A 108 7.520 23.838 -58.518 1.00 4.47 C ATOM 1715 O SER A 108 6.877 24.892 -58.699 1.00 4.98 O ATOM 1716 CB SER A 108 9.084 22.289 -59.743 1.00 4.21 C ATOM 1717 OG SER A 108 9.434 21.382 -58.711 1.00 4.39 O ATOM 1718 OXT SER A 108 7.113 22.913 -57.781 1.00 4.69 O ATOM 0 H SER A 108 10.398 23.163 -57.845 1.00 3.41 H new ATOM 0 HA SER A 108 8.931 24.408 -60.008 1.00 4.00 H new ATOM 0 HB2 SER A 108 8.169 21.955 -60.232 1.00 4.21 H new ATOM 0 HB3 SER A 108 9.865 22.302 -60.503 1.00 4.21 H new ATOM 0 HG SER A 108 9.555 20.486 -59.090 1.00 4.39 H new TER 1724 SER A 108