USER MOD reduce.3.24.130724 H: found=0, std=0, add=836, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 836 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 17 ASN : amide:sc= 0.0286 X(o=0.51,f=0.48) USER MOD Set 1.2: A 59 SER OG : rot -89:sc= 0.247 USER MOD Set 1.3: A 97 THR OG1 : rot 180:sc= 0.237 USER MOD Set 2.1: A 88 ASN : amide:sc= 0.0642 K(o=-0.13,f=-2.7!) USER MOD Set 2.2: A 90 THR OG1 : rot 67:sc= 0.0345 USER MOD Set 2.3: A 101 GLN : amide:sc= -0.226 K(o=-0.13,f=-6.2!) USER MOD Set 3.1: A 20 CYS SG : rot 58:sc= -1.58 USER MOD Set 3.2: A 21 ASN : amide:sc= -0.288 X(o=-1,f=-1.5) USER MOD Set 3.3: A 53 CYS SG : rot -20:sc= 0.837 USER MOD Set 4.1: A 18 ASN : amide:sc= -1.41 K(o=-3.4,f=-4.5!) USER MOD Set 4.2: A 51 GLN : amide:sc= -1.95 K(o=-3.4,f=-1.6!) USER MOD Set 5.1: A 16 ASN : amide:sc= -7.98! C(o=-6.7!,f=-4.4!) USER MOD Set 5.2: A 56 SER OG : rot 77:sc= 0.203 USER MOD Set 5.3: A 58 THR OG1 : rot 180:sc= 0.329 USER MOD Set 5.4: A 79 TYR OH : rot -10:sc= 0.733 USER MOD Set 6.1: A 3 HIS : no HD1:sc=-0.00152 X(o=-0.018,f=-0.51) USER MOD Set 6.2: A 6 HIS : no HD1:sc= -0.0167 X(o=-0.018,f=-0.026) USER MOD Single : A 1 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 1 MET N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 4 HIS : no HD1:sc= -0.0263 X(o=-0.026,f=0) USER MOD Single : A 5 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 7 HIS : no HD1:sc= 0 X(o=0,f=-0.00074) USER MOD Single : A 9 SER OG : rot 180:sc= 0.0766 USER MOD Single : A 13 GLN : amide:sc= 0 X(o=0,f=-0.47) USER MOD Single : A 15 GLN : amide:sc= -3.25 K(o=-3.2,f=-9.1!) USER MOD Single : A 19 THR OG1 : rot 180:sc= 0 USER MOD Single : A 23 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0598) USER MOD Single : A 24 THR OG1 : rot 35:sc= 0.46 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 THR OG1 : rot 71:sc= 0.398 USER MOD Single : A 29 TYR OH : rot 180:sc= 0 USER MOD Single : A 30 THR OG1 : rot 180:sc= 0 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 SER OG : rot 180:sc= 0 USER MOD Single : A 38 GLN : amide:sc= -0.673 K(o=-0.67,f=-5!) USER MOD Single : A 39 LYS NZ :NH3+ 175:sc= 0.382 (180deg=0.206) USER MOD Single : A 42 ASN : amide:sc= -0.129 X(o=-0.13,f=-0.13) USER MOD Single : A 45 LYS NZ :NH3+ 159:sc= 0.153 (180deg=-0.104) USER MOD Single : A 47 TYR OH : rot 180:sc= 0 USER MOD Single : A 49 LYS NZ :NH3+ -135:sc= 0.657 (180deg=0.234) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 54 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 61 THR OG1 : rot -156:sc= -0.419 USER MOD Single : A 64 THR OG1 : rot 139:sc= 0.392 USER MOD Single : A 65 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 66 LYS NZ :NH3+ -104:sc= 0.666 (180deg=-0.0501) USER MOD Single : A 70 LYS NZ :NH3+ -141:sc= 0.737 (180deg=-0.235) USER MOD Single : A 77 LYS NZ :NH3+ -164:sc= -0.0415 (180deg=-0.277) USER MOD Single : A 84 TYR OH : rot 180:sc= 0 USER MOD Single : A 85 ASN : amide:sc= 0 X(o=0,f=-0.0015) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N MET A 1 -31.748 -3.793 -3.835 1.00 62.30 N ATOM 2 CA MET A 1 -32.473 -2.516 -4.061 1.00 43.12 C ATOM 3 C MET A 1 -32.108 -1.502 -2.963 1.00 4.40 C ATOM 4 O MET A 1 -31.624 -0.407 -3.265 1.00 31.43 O ATOM 5 CB MET A 1 -34.012 -2.775 -4.119 1.00 52.41 C ATOM 6 CG MET A 1 -34.878 -1.545 -4.459 1.00 52.24 C ATOM 7 SD MET A 1 -34.994 -0.358 -3.095 1.00 43.20 S ATOM 8 CE MET A 1 -35.977 0.951 -3.825 1.00 20.54 C ATOM 0 H1 MET A 1 -32.000 -4.472 -4.581 1.00 62.30 H new ATOM 0 H2 MET A 1 -30.723 -3.619 -3.858 1.00 62.30 H new ATOM 0 H3 MET A 1 -32.013 -4.183 -2.908 1.00 62.30 H new ATOM 0 HA MET A 1 -32.172 -2.092 -5.019 1.00 43.12 H new ATOM 0 HB2 MET A 1 -34.205 -3.550 -4.861 1.00 52.41 H new ATOM 0 HB3 MET A 1 -34.333 -3.169 -3.155 1.00 52.41 H new ATOM 0 HG2 MET A 1 -34.461 -1.045 -5.333 1.00 52.24 H new ATOM 0 HG3 MET A 1 -35.880 -1.877 -4.730 1.00 52.24 H new ATOM 0 HE1 MET A 1 -36.125 1.746 -3.094 1.00 20.54 H new ATOM 0 HE2 MET A 1 -35.460 1.351 -4.697 1.00 20.54 H new ATOM 0 HE3 MET A 1 -36.945 0.553 -4.128 1.00 20.54 H new ATOM 20 N HIS A 2 -32.333 -1.883 -1.685 1.00 73.51 N ATOM 21 CA HIS A 2 -32.118 -0.993 -0.528 1.00 33.23 C ATOM 22 C HIS A 2 -30.623 -0.651 -0.360 1.00 73.33 C ATOM 23 O HIS A 2 -29.847 -1.457 0.164 1.00 1.42 O ATOM 24 CB HIS A 2 -32.679 -1.629 0.769 1.00 31.23 C ATOM 25 CG HIS A 2 -34.165 -1.864 0.753 1.00 61.34 C ATOM 26 ND1 HIS A 2 -34.742 -3.100 0.957 1.00 35.41 N ATOM 27 CD2 HIS A 2 -35.193 -0.998 0.585 1.00 74.44 C ATOM 28 CE1 HIS A 2 -36.056 -2.983 0.920 1.00 30.11 C ATOM 29 NE2 HIS A 2 -36.354 -1.719 0.699 1.00 1.11 N ATOM 0 H HIS A 2 -32.667 -2.812 -1.430 1.00 73.51 H new ATOM 0 HA HIS A 2 -32.658 -0.065 -0.717 1.00 33.23 H new ATOM 0 HB2 HIS A 2 -32.175 -2.580 0.940 1.00 31.23 H new ATOM 0 HB3 HIS A 2 -32.435 -0.982 1.612 1.00 31.23 H new ATOM 0 HD2 HIS A 2 -35.113 0.062 0.396 1.00 74.44 H new ATOM 0 HE1 HIS A 2 -36.766 -3.787 1.049 1.00 30.11 H new ATOM 0 HE2 HIS A 2 -37.297 -1.338 0.625 1.00 1.11 H new ATOM 38 N HIS A 3 -30.230 0.531 -0.857 1.00 73.15 N ATOM 39 CA HIS A 3 -28.845 1.020 -0.780 1.00 41.13 C ATOM 40 C HIS A 3 -28.626 1.753 0.561 1.00 21.23 C ATOM 41 O HIS A 3 -29.385 2.661 0.914 1.00 51.03 O ATOM 42 CB HIS A 3 -28.517 1.930 -1.998 1.00 44.52 C ATOM 43 CG HIS A 3 -29.302 3.221 -2.079 1.00 65.14 C ATOM 44 ND1 HIS A 3 -30.588 3.295 -2.563 1.00 11.44 N ATOM 45 CD2 HIS A 3 -28.973 4.485 -1.718 1.00 61.40 C ATOM 46 CE1 HIS A 3 -31.014 4.541 -2.497 1.00 72.24 C ATOM 47 NE2 HIS A 3 -30.055 5.286 -1.986 1.00 10.25 N ATOM 0 H HIS A 3 -30.866 1.177 -1.325 1.00 73.15 H new ATOM 0 HA HIS A 3 -28.160 0.173 -0.819 1.00 41.13 H new ATOM 0 HB2 HIS A 3 -27.455 2.173 -1.972 1.00 44.52 H new ATOM 0 HB3 HIS A 3 -28.692 1.361 -2.911 1.00 44.52 H new ATOM 0 HD2 HIS A 3 -28.031 4.804 -1.296 1.00 61.40 H new ATOM 0 HE1 HIS A 3 -31.986 4.892 -2.810 1.00 72.24 H new ATOM 0 HE2 HIS A 3 -30.108 6.291 -1.818 1.00 10.25 H new ATOM 56 N HIS A 4 -27.611 1.327 1.316 1.00 61.44 N ATOM 57 CA HIS A 4 -27.266 1.936 2.617 1.00 2.45 C ATOM 58 C HIS A 4 -26.322 3.135 2.405 1.00 0.33 C ATOM 59 O HIS A 4 -26.367 4.133 3.134 1.00 50.13 O ATOM 60 CB HIS A 4 -26.610 0.869 3.534 1.00 22.21 C ATOM 61 CG HIS A 4 -27.528 -0.284 3.895 1.00 51.22 C ATOM 62 ND1 HIS A 4 -27.938 -0.540 5.183 1.00 34.14 N ATOM 63 CD2 HIS A 4 -28.098 -1.253 3.133 1.00 31.35 C ATOM 64 CE1 HIS A 4 -28.710 -1.606 5.198 1.00 53.11 C ATOM 65 NE2 HIS A 4 -28.823 -2.059 3.970 1.00 23.31 N ATOM 0 H HIS A 4 -27.002 0.553 1.050 1.00 61.44 H new ATOM 0 HA HIS A 4 -28.173 2.299 3.101 1.00 2.45 H new ATOM 0 HB2 HIS A 4 -25.724 0.473 3.037 1.00 22.21 H new ATOM 0 HB3 HIS A 4 -26.272 1.351 4.451 1.00 22.21 H new ATOM 0 HD2 HIS A 4 -27.998 -1.367 2.064 1.00 31.35 H new ATOM 0 HE1 HIS A 4 -29.173 -2.036 6.074 1.00 53.11 H new ATOM 0 HE2 HIS A 4 -29.362 -2.877 3.686 1.00 23.31 H new ATOM 74 N HIS A 5 -25.460 3.000 1.384 1.00 62.41 N ATOM 75 CA HIS A 5 -24.490 4.025 0.954 1.00 13.52 C ATOM 76 C HIS A 5 -24.673 4.303 -0.557 1.00 61.41 C ATOM 77 O HIS A 5 -25.668 3.873 -1.164 1.00 52.35 O ATOM 78 CB HIS A 5 -23.045 3.526 1.251 1.00 4.44 C ATOM 79 CG HIS A 5 -22.781 3.167 2.693 1.00 42.21 C ATOM 80 ND1 HIS A 5 -22.251 1.956 3.092 1.00 45.11 N ATOM 81 CD2 HIS A 5 -22.982 3.870 3.830 1.00 74.31 C ATOM 82 CE1 HIS A 5 -22.141 1.936 4.402 1.00 34.34 C ATOM 83 NE2 HIS A 5 -22.577 3.081 4.878 1.00 0.44 N ATOM 0 H HIS A 5 -25.416 2.152 0.818 1.00 62.41 H new ATOM 0 HA HIS A 5 -24.659 4.952 1.502 1.00 13.52 H new ATOM 0 HB2 HIS A 5 -22.843 2.652 0.631 1.00 4.44 H new ATOM 0 HB3 HIS A 5 -22.340 4.300 0.949 1.00 4.44 H new ATOM 0 HD2 HIS A 5 -23.387 4.869 3.901 1.00 74.31 H new ATOM 0 HE1 HIS A 5 -21.756 1.115 4.989 1.00 34.34 H new ATOM 0 HE2 HIS A 5 -22.609 3.341 5.864 1.00 0.44 H new ATOM 92 N HIS A 6 -23.725 5.041 -1.156 1.00 50.02 N ATOM 93 CA HIS A 6 -23.675 5.300 -2.608 1.00 10.20 C ATOM 94 C HIS A 6 -22.311 4.868 -3.149 1.00 44.01 C ATOM 95 O HIS A 6 -21.387 5.687 -3.228 1.00 22.04 O ATOM 96 CB HIS A 6 -23.963 6.796 -2.923 1.00 12.11 C ATOM 97 CG HIS A 6 -25.398 7.203 -2.711 1.00 40.22 C ATOM 98 ND1 HIS A 6 -25.784 8.327 -2.022 1.00 5.33 N ATOM 99 CD2 HIS A 6 -26.545 6.618 -3.131 1.00 41.55 C ATOM 100 CE1 HIS A 6 -27.097 8.421 -2.030 1.00 34.14 C ATOM 101 NE2 HIS A 6 -27.588 7.398 -2.697 1.00 31.35 N ATOM 0 H HIS A 6 -22.962 5.481 -0.642 1.00 50.02 H new ATOM 0 HA HIS A 6 -24.453 4.718 -3.102 1.00 10.20 H new ATOM 0 HB2 HIS A 6 -23.324 7.418 -2.296 1.00 12.11 H new ATOM 0 HB3 HIS A 6 -23.688 6.998 -3.958 1.00 12.11 H new ATOM 0 HD2 HIS A 6 -26.625 5.705 -3.703 1.00 41.55 H new ATOM 0 HE1 HIS A 6 -27.675 9.207 -1.566 1.00 34.14 H new ATOM 0 HE2 HIS A 6 -28.578 7.215 -2.864 1.00 31.35 H new ATOM 110 N HIS A 7 -22.181 3.542 -3.408 1.00 61.13 N ATOM 111 CA HIS A 7 -20.954 2.877 -3.948 1.00 0.11 C ATOM 112 C HIS A 7 -19.819 2.769 -2.896 1.00 70.13 C ATOM 113 O HIS A 7 -18.951 1.900 -3.011 1.00 12.32 O ATOM 114 CB HIS A 7 -20.422 3.549 -5.255 1.00 1.33 C ATOM 115 CG HIS A 7 -21.417 3.605 -6.391 1.00 52.10 C ATOM 116 ND1 HIS A 7 -21.666 4.751 -7.118 1.00 62.04 N ATOM 117 CD2 HIS A 7 -22.192 2.643 -6.943 1.00 44.55 C ATOM 118 CE1 HIS A 7 -22.546 4.489 -8.063 1.00 64.02 C ATOM 119 NE2 HIS A 7 -22.881 3.216 -7.982 1.00 75.14 N ATOM 0 H HIS A 7 -22.943 2.884 -3.245 1.00 61.13 H new ATOM 0 HA HIS A 7 -21.271 1.866 -4.203 1.00 0.11 H new ATOM 0 HB2 HIS A 7 -20.103 4.564 -5.020 1.00 1.33 H new ATOM 0 HB3 HIS A 7 -19.538 3.007 -5.591 1.00 1.33 H new ATOM 0 HD2 HIS A 7 -22.256 1.613 -6.624 1.00 44.55 H new ATOM 0 HE1 HIS A 7 -22.929 5.197 -8.783 1.00 64.02 H new ATOM 0 HE2 HIS A 7 -23.543 2.736 -8.592 1.00 75.14 H new ATOM 128 N ARG A 8 -19.854 3.625 -1.856 1.00 15.23 N ATOM 129 CA ARG A 8 -18.789 3.758 -0.866 1.00 74.03 C ATOM 130 C ARG A 8 -18.980 2.684 0.227 1.00 21.11 C ATOM 131 O ARG A 8 -19.845 2.826 1.103 1.00 34.13 O ATOM 132 CB ARG A 8 -18.822 5.206 -0.264 1.00 45.54 C ATOM 133 CG ARG A 8 -17.481 5.781 0.283 1.00 74.02 C ATOM 134 CD ARG A 8 -16.801 4.931 1.390 1.00 2.42 C ATOM 135 NE ARG A 8 -15.738 4.049 0.849 1.00 24.00 N ATOM 136 CZ ARG A 8 -14.792 3.437 1.585 1.00 23.05 C ATOM 137 NH1 ARG A 8 -14.749 3.581 2.903 1.00 12.21 N ATOM 138 NH2 ARG A 8 -13.857 2.714 0.993 1.00 25.42 N ATOM 0 H ARG A 8 -20.641 4.251 -1.685 1.00 15.23 H new ATOM 0 HA ARG A 8 -17.813 3.606 -1.328 1.00 74.03 H new ATOM 0 HB2 ARG A 8 -19.191 5.884 -1.034 1.00 45.54 H new ATOM 0 HB3 ARG A 8 -19.550 5.218 0.547 1.00 45.54 H new ATOM 0 HG2 ARG A 8 -16.785 5.890 -0.548 1.00 74.02 H new ATOM 0 HG3 ARG A 8 -17.666 6.780 0.677 1.00 74.02 H new ATOM 0 HD2 ARG A 8 -16.373 5.594 2.142 1.00 2.42 H new ATOM 0 HD3 ARG A 8 -17.554 4.323 1.892 1.00 2.42 H new ATOM 0 HE ARG A 8 -15.723 3.894 -0.159 1.00 24.00 H new ATOM 0 HH11 ARG A 8 -15.440 4.163 3.375 1.00 12.21 H new ATOM 0 HH12 ARG A 8 -14.024 3.109 3.444 1.00 12.21 H new ATOM 0 HH21 ARG A 8 -13.852 2.620 -0.023 1.00 25.42 H new ATOM 0 HH22 ARG A 8 -13.140 2.251 1.552 1.00 25.42 H new ATOM 152 N SER A 9 -18.173 1.615 0.153 1.00 71.31 N ATOM 153 CA SER A 9 -18.138 0.556 1.170 1.00 41.21 C ATOM 154 C SER A 9 -16.778 -0.179 1.119 1.00 40.33 C ATOM 155 O SER A 9 -15.877 0.133 1.898 1.00 55.32 O ATOM 156 CB SER A 9 -19.340 -0.422 0.996 1.00 22.12 C ATOM 157 OG SER A 9 -19.369 -0.988 -0.302 1.00 2.23 O ATOM 0 H SER A 9 -17.524 1.461 -0.618 1.00 71.31 H new ATOM 0 HA SER A 9 -18.238 1.006 2.158 1.00 41.21 H new ATOM 0 HB2 SER A 9 -19.273 -1.217 1.739 1.00 22.12 H new ATOM 0 HB3 SER A 9 -20.273 0.110 1.182 1.00 22.12 H new ATOM 0 HG SER A 9 -20.133 -1.597 -0.376 1.00 2.23 H new ATOM 163 N GLY A 10 -16.615 -1.099 0.135 1.00 5.54 N ATOM 164 CA GLY A 10 -15.454 -2.000 0.062 1.00 50.22 C ATOM 165 C GLY A 10 -14.446 -1.599 -1.008 1.00 12.21 C ATOM 166 O GLY A 10 -13.650 -2.430 -1.460 1.00 62.51 O ATOM 0 H GLY A 10 -17.285 -1.231 -0.623 1.00 5.54 H new ATOM 0 HA2 GLY A 10 -14.956 -2.019 1.031 1.00 50.22 H new ATOM 0 HA3 GLY A 10 -15.802 -3.014 -0.138 1.00 50.22 H new ATOM 170 N ASP A 11 -14.484 -0.318 -1.411 1.00 53.11 N ATOM 171 CA ASP A 11 -13.534 0.250 -2.384 1.00 35.25 C ATOM 172 C ASP A 11 -12.196 0.564 -1.685 1.00 52.52 C ATOM 173 O ASP A 11 -12.150 1.304 -0.693 1.00 60.20 O ATOM 174 CB ASP A 11 -14.135 1.498 -3.101 1.00 3.00 C ATOM 175 CG ASP A 11 -14.743 2.537 -2.143 1.00 51.41 C ATOM 176 OD1 ASP A 11 -15.879 2.322 -1.674 1.00 12.34 O ATOM 177 OD2 ASP A 11 -14.090 3.554 -1.831 1.00 64.52 O ATOM 0 H ASP A 11 -15.173 0.353 -1.072 1.00 53.11 H new ATOM 0 HA ASP A 11 -13.341 -0.487 -3.163 1.00 35.25 H new ATOM 0 HB2 ASP A 11 -13.354 1.977 -3.691 1.00 3.00 H new ATOM 0 HB3 ASP A 11 -14.905 1.168 -3.799 1.00 3.00 H new ATOM 182 N ILE A 12 -11.129 -0.052 -2.206 1.00 44.42 N ATOM 183 CA ILE A 12 -9.766 0.043 -1.680 1.00 52.21 C ATOM 184 C ILE A 12 -9.205 1.463 -1.885 1.00 23.20 C ATOM 185 O ILE A 12 -8.890 1.858 -3.015 1.00 22.13 O ATOM 186 CB ILE A 12 -8.830 -1.002 -2.402 1.00 34.33 C ATOM 187 CG1 ILE A 12 -9.432 -2.446 -2.314 1.00 71.32 C ATOM 188 CG2 ILE A 12 -7.384 -0.955 -1.843 1.00 22.24 C ATOM 189 CD1 ILE A 12 -8.709 -3.485 -3.157 1.00 24.44 C ATOM 0 H ILE A 12 -11.194 -0.648 -3.031 1.00 44.42 H new ATOM 0 HA ILE A 12 -9.796 -0.176 -0.613 1.00 52.21 H new ATOM 0 HB ILE A 12 -8.776 -0.726 -3.455 1.00 34.33 H new ATOM 0 HG12 ILE A 12 -9.418 -2.768 -1.273 1.00 71.32 H new ATOM 0 HG13 ILE A 12 -10.477 -2.410 -2.623 1.00 71.32 H new ATOM 0 HG21 ILE A 12 -6.768 -1.688 -2.364 1.00 22.24 H new ATOM 0 HG22 ILE A 12 -6.968 0.041 -1.994 1.00 22.24 H new ATOM 0 HG23 ILE A 12 -7.398 -1.185 -0.778 1.00 22.24 H new ATOM 0 HD11 ILE A 12 -9.193 -4.454 -3.035 1.00 24.44 H new ATOM 0 HD12 ILE A 12 -8.745 -3.191 -4.206 1.00 24.44 H new ATOM 0 HD13 ILE A 12 -7.670 -3.556 -2.835 1.00 24.44 H new ATOM 201 N GLN A 13 -9.129 2.227 -0.792 1.00 61.41 N ATOM 202 CA GLN A 13 -8.423 3.514 -0.749 1.00 41.24 C ATOM 203 C GLN A 13 -6.937 3.276 -0.454 1.00 42.02 C ATOM 204 O GLN A 13 -6.595 2.446 0.398 1.00 24.13 O ATOM 205 CB GLN A 13 -9.036 4.433 0.337 1.00 55.24 C ATOM 206 CG GLN A 13 -10.335 5.141 -0.067 1.00 72.23 C ATOM 207 CD GLN A 13 -10.913 5.998 1.065 1.00 61.34 C ATOM 208 OE1 GLN A 13 -10.777 5.675 2.245 1.00 22.05 O ATOM 209 NE2 GLN A 13 -11.531 7.106 0.723 1.00 52.34 N ATOM 0 H GLN A 13 -9.559 1.969 0.096 1.00 61.41 H new ATOM 0 HA GLN A 13 -8.527 4.005 -1.717 1.00 41.24 H new ATOM 0 HB2 GLN A 13 -9.228 3.837 1.229 1.00 55.24 H new ATOM 0 HB3 GLN A 13 -8.299 5.188 0.610 1.00 55.24 H new ATOM 0 HG2 GLN A 13 -10.146 5.772 -0.936 1.00 72.23 H new ATOM 0 HG3 GLN A 13 -11.072 4.397 -0.368 1.00 72.23 H new ATOM 0 HE21 GLN A 13 -11.631 7.351 -0.262 1.00 52.34 H new ATOM 0 HE22 GLN A 13 -11.911 7.721 1.443 1.00 52.34 H new ATOM 218 N VAL A 14 -6.074 4.017 -1.168 1.00 73.11 N ATOM 219 CA VAL A 14 -4.617 3.976 -0.989 1.00 21.03 C ATOM 220 C VAL A 14 -4.118 5.420 -0.857 1.00 73.15 C ATOM 221 O VAL A 14 -4.068 6.136 -1.849 1.00 51.11 O ATOM 222 CB VAL A 14 -3.891 3.269 -2.205 1.00 33.24 C ATOM 223 CG1 VAL A 14 -2.370 3.148 -1.959 1.00 55.32 C ATOM 224 CG2 VAL A 14 -4.522 1.893 -2.520 1.00 2.11 C ATOM 0 H VAL A 14 -6.374 4.668 -1.894 1.00 73.11 H new ATOM 0 HA VAL A 14 -4.386 3.395 -0.096 1.00 21.03 H new ATOM 0 HB VAL A 14 -4.033 3.901 -3.082 1.00 33.24 H new ATOM 0 HG11 VAL A 14 -1.901 2.658 -2.812 1.00 55.32 H new ATOM 0 HG12 VAL A 14 -1.942 4.142 -1.831 1.00 55.32 H new ATOM 0 HG13 VAL A 14 -2.193 2.558 -1.060 1.00 55.32 H new ATOM 0 HG21 VAL A 14 -3.999 1.436 -3.360 1.00 2.11 H new ATOM 0 HG22 VAL A 14 -4.440 1.246 -1.646 1.00 2.11 H new ATOM 0 HG23 VAL A 14 -5.573 2.025 -2.776 1.00 2.11 H new ATOM 234 N GLN A 15 -3.779 5.839 0.377 1.00 32.31 N ATOM 235 CA GLN A 15 -3.308 7.205 0.686 1.00 13.43 C ATOM 236 C GLN A 15 -1.811 7.160 1.020 1.00 10.11 C ATOM 237 O GLN A 15 -1.394 6.408 1.906 1.00 51.20 O ATOM 238 CB GLN A 15 -4.100 7.825 1.885 1.00 2.43 C ATOM 239 CG GLN A 15 -5.559 8.252 1.590 1.00 50.33 C ATOM 240 CD GLN A 15 -6.526 7.092 1.335 1.00 11.20 C ATOM 241 OE1 GLN A 15 -6.752 6.693 0.198 1.00 73.11 O ATOM 242 NE2 GLN A 15 -7.087 6.532 2.399 1.00 15.30 N ATOM 0 H GLN A 15 -3.824 5.233 1.197 1.00 32.31 H new ATOM 0 HA GLN A 15 -3.478 7.834 -0.188 1.00 13.43 H new ATOM 0 HB2 GLN A 15 -4.113 7.100 2.699 1.00 2.43 H new ATOM 0 HB3 GLN A 15 -3.553 8.697 2.243 1.00 2.43 H new ATOM 0 HG2 GLN A 15 -5.929 8.837 2.432 1.00 50.33 H new ATOM 0 HG3 GLN A 15 -5.562 8.908 0.720 1.00 50.33 H new ATOM 0 HE21 GLN A 15 -6.878 6.887 3.332 1.00 15.30 H new ATOM 0 HE22 GLN A 15 -7.727 5.746 2.284 1.00 15.30 H new ATOM 251 N ASN A 16 -1.014 7.987 0.331 1.00 21.11 N ATOM 252 CA ASN A 16 0.445 8.047 0.522 1.00 24.01 C ATOM 253 C ASN A 16 0.800 9.310 1.293 1.00 51.23 C ATOM 254 O ASN A 16 0.687 10.427 0.778 1.00 12.12 O ATOM 255 CB ASN A 16 1.160 8.020 -0.845 1.00 54.33 C ATOM 256 CG ASN A 16 0.951 6.697 -1.565 1.00 41.34 C ATOM 257 OD1 ASN A 16 -0.022 6.507 -2.283 1.00 41.05 O ATOM 258 ND2 ASN A 16 1.849 5.763 -1.359 1.00 41.11 N ATOM 0 H ASN A 16 -1.361 8.635 -0.376 1.00 21.11 H new ATOM 0 HA ASN A 16 0.775 7.180 1.094 1.00 24.01 H new ATOM 0 HB2 ASN A 16 0.788 8.835 -1.466 1.00 54.33 H new ATOM 0 HB3 ASN A 16 2.227 8.191 -0.701 1.00 54.33 H new ATOM 0 HD21 ASN A 16 1.746 4.850 -1.802 1.00 41.11 H new ATOM 0 HD22 ASN A 16 2.650 5.950 -0.756 1.00 41.11 H new ATOM 265 N ASN A 17 1.269 9.105 2.523 1.00 65.24 N ATOM 266 CA ASN A 17 1.562 10.172 3.481 1.00 40.33 C ATOM 267 C ASN A 17 3.077 10.346 3.551 1.00 0.31 C ATOM 268 O ASN A 17 3.775 9.500 4.106 1.00 70.22 O ATOM 269 CB ASN A 17 0.986 9.785 4.875 1.00 72.14 C ATOM 270 CG ASN A 17 -0.510 9.457 4.828 1.00 44.33 C ATOM 271 OD1 ASN A 17 -1.356 10.323 5.045 1.00 64.44 O ATOM 272 ND2 ASN A 17 -0.843 8.207 4.518 1.00 51.43 N ATOM 0 H ASN A 17 1.460 8.173 2.890 1.00 65.24 H new ATOM 0 HA ASN A 17 1.103 11.110 3.170 1.00 40.33 H new ATOM 0 HB2 ASN A 17 1.530 8.923 5.262 1.00 72.14 H new ATOM 0 HB3 ASN A 17 1.152 10.606 5.572 1.00 72.14 H new ATOM 0 HD21 ASN A 17 -1.826 7.942 4.454 1.00 51.43 H new ATOM 0 HD22 ASN A 17 -0.115 7.514 4.344 1.00 51.43 H new ATOM 279 N ASN A 18 3.574 11.447 2.993 1.00 12.24 N ATOM 280 CA ASN A 18 5.009 11.761 2.981 1.00 22.32 C ATOM 281 C ASN A 18 5.271 12.790 4.085 1.00 24.51 C ATOM 282 O ASN A 18 4.532 13.769 4.205 1.00 72.12 O ATOM 283 CB ASN A 18 5.411 12.311 1.577 1.00 51.23 C ATOM 284 CG ASN A 18 6.926 12.491 1.360 1.00 1.23 C ATOM 285 OD1 ASN A 18 7.697 12.728 2.286 1.00 55.14 O ATOM 286 ND2 ASN A 18 7.360 12.401 0.113 1.00 54.13 N ATOM 0 H ASN A 18 2.996 12.151 2.534 1.00 12.24 H new ATOM 0 HA ASN A 18 5.611 10.872 3.168 1.00 22.32 H new ATOM 0 HB2 ASN A 18 5.027 11.634 0.814 1.00 51.23 H new ATOM 0 HB3 ASN A 18 4.920 13.272 1.425 1.00 51.23 H new ATOM 0 HD21 ASN A 18 8.351 12.529 -0.093 1.00 54.13 H new ATOM 0 HD22 ASN A 18 6.704 12.203 -0.642 1.00 54.13 H new ATOM 293 N THR A 19 6.287 12.538 4.915 1.00 35.32 N ATOM 294 CA THR A 19 6.725 13.478 5.953 1.00 24.23 C ATOM 295 C THR A 19 8.056 14.091 5.489 1.00 54.32 C ATOM 296 O THR A 19 9.070 13.395 5.427 1.00 5.45 O ATOM 297 CB THR A 19 6.874 12.753 7.336 1.00 43.30 C ATOM 298 OG1 THR A 19 5.667 12.016 7.628 1.00 33.11 O ATOM 299 CG2 THR A 19 7.141 13.754 8.478 1.00 23.05 C ATOM 0 H THR A 19 6.830 11.675 4.887 1.00 35.32 H new ATOM 0 HA THR A 19 5.985 14.265 6.096 1.00 24.23 H new ATOM 0 HB THR A 19 7.726 12.077 7.267 1.00 43.30 H new ATOM 0 HG1 THR A 19 5.762 11.562 8.491 1.00 33.11 H new ATOM 0 HG21 THR A 19 7.238 13.214 9.420 1.00 23.05 H new ATOM 0 HG22 THR A 19 8.063 14.300 8.276 1.00 23.05 H new ATOM 0 HG23 THR A 19 6.311 14.457 8.547 1.00 23.05 H new ATOM 307 N CYS A 20 8.028 15.391 5.153 1.00 4.42 N ATOM 308 CA CYS A 20 9.149 16.094 4.508 1.00 44.00 C ATOM 309 C CYS A 20 8.892 17.605 4.513 1.00 31.45 C ATOM 310 O CYS A 20 7.747 18.043 4.691 1.00 2.10 O ATOM 311 CB CYS A 20 9.335 15.590 3.052 1.00 63.13 C ATOM 312 SG CYS A 20 10.664 16.399 2.143 1.00 2.34 S ATOM 0 H CYS A 20 7.219 15.989 5.323 1.00 4.42 H new ATOM 0 HA CYS A 20 10.061 15.887 5.068 1.00 44.00 H new ATOM 0 HB2 CYS A 20 9.528 14.517 3.074 1.00 63.13 H new ATOM 0 HB3 CYS A 20 8.401 15.734 2.509 1.00 63.13 H new ATOM 0 HG CYS A 20 11.786 16.238 2.780 1.00 2.34 H new ATOM 318 N ASN A 21 9.965 18.395 4.329 1.00 41.54 N ATOM 319 CA ASN A 21 9.867 19.862 4.182 1.00 41.02 C ATOM 320 C ASN A 21 9.313 20.214 2.789 1.00 41.41 C ATOM 321 O ASN A 21 9.672 19.573 1.790 1.00 71.12 O ATOM 322 CB ASN A 21 11.238 20.549 4.442 1.00 45.54 C ATOM 323 CG ASN A 21 12.360 20.061 3.521 1.00 72.34 C ATOM 324 OD1 ASN A 21 12.625 20.637 2.474 1.00 42.12 O ATOM 325 ND2 ASN A 21 13.007 18.978 3.901 1.00 14.13 N ATOM 0 H ASN A 21 10.920 18.039 4.278 1.00 41.54 H new ATOM 0 HA ASN A 21 9.175 20.242 4.933 1.00 41.02 H new ATOM 0 HB2 ASN A 21 11.123 21.626 4.319 1.00 45.54 H new ATOM 0 HB3 ASN A 21 11.530 20.375 5.478 1.00 45.54 H new ATOM 0 HD21 ASN A 21 13.752 18.598 3.317 1.00 14.13 H new ATOM 0 HD22 ASN A 21 12.763 18.520 4.779 1.00 14.13 H new ATOM 332 N GLY A 22 8.425 21.220 2.743 1.00 43.32 N ATOM 333 CA GLY A 22 7.722 21.604 1.515 1.00 3.25 C ATOM 334 C GLY A 22 6.341 20.970 1.428 1.00 72.44 C ATOM 335 O GLY A 22 5.925 20.250 2.349 1.00 21.05 O ATOM 0 H GLY A 22 8.177 21.786 3.554 1.00 43.32 H new ATOM 0 HA2 GLY A 22 7.626 22.689 1.476 1.00 3.25 H new ATOM 0 HA3 GLY A 22 8.314 21.305 0.650 1.00 3.25 H new ATOM 339 N LYS A 23 5.622 21.233 0.324 1.00 21.23 N ATOM 340 CA LYS A 23 4.264 20.709 0.096 1.00 1.25 C ATOM 341 C LYS A 23 4.350 19.219 -0.272 1.00 22.12 C ATOM 342 O LYS A 23 4.660 18.862 -1.421 1.00 3.13 O ATOM 343 CB LYS A 23 3.527 21.515 -1.017 1.00 1.03 C ATOM 344 CG LYS A 23 2.032 21.158 -1.164 1.00 12.40 C ATOM 345 CD LYS A 23 1.334 21.877 -2.343 1.00 13.43 C ATOM 346 CE LYS A 23 -0.183 21.636 -2.358 1.00 13.40 C ATOM 347 NZ LYS A 23 -0.528 20.193 -2.353 1.00 32.40 N ATOM 0 H LYS A 23 5.967 21.817 -0.438 1.00 21.23 H new ATOM 0 HA LYS A 23 3.684 20.820 1.012 1.00 1.25 H new ATOM 0 HB2 LYS A 23 3.616 22.579 -0.800 1.00 1.03 H new ATOM 0 HB3 LYS A 23 4.027 21.341 -1.970 1.00 1.03 H new ATOM 0 HG2 LYS A 23 1.936 20.081 -1.299 1.00 12.40 H new ATOM 0 HG3 LYS A 23 1.515 21.410 -0.238 1.00 12.40 H new ATOM 0 HD2 LYS A 23 1.529 22.948 -2.279 1.00 13.43 H new ATOM 0 HD3 LYS A 23 1.764 21.530 -3.283 1.00 13.43 H new ATOM 0 HE2 LYS A 23 -0.633 22.117 -1.489 1.00 13.40 H new ATOM 0 HE3 LYS A 23 -0.614 22.106 -3.242 1.00 13.40 H new ATOM 0 HZ1 LYS A 23 -1.554 20.081 -2.483 1.00 32.40 H new ATOM 0 HZ2 LYS A 23 -0.026 19.713 -3.128 1.00 32.40 H new ATOM 0 HZ3 LYS A 23 -0.246 19.772 -1.445 1.00 32.40 H new ATOM 361 N THR A 24 4.133 18.369 0.738 1.00 45.21 N ATOM 362 CA THR A 24 4.194 16.916 0.611 1.00 13.32 C ATOM 363 C THR A 24 3.066 16.404 -0.308 1.00 30.12 C ATOM 364 O THR A 24 1.886 16.438 0.068 1.00 42.11 O ATOM 365 CB THR A 24 4.104 16.252 2.026 1.00 5.12 C ATOM 366 OG1 THR A 24 2.902 16.690 2.696 1.00 11.32 O ATOM 367 CG2 THR A 24 5.324 16.601 2.900 1.00 62.44 C ATOM 0 H THR A 24 3.906 18.682 1.682 1.00 45.21 H new ATOM 0 HA THR A 24 5.147 16.642 0.158 1.00 13.32 H new ATOM 0 HB THR A 24 4.085 15.172 1.882 1.00 5.12 H new ATOM 0 HG1 THR A 24 2.183 16.799 2.039 1.00 11.32 H new ATOM 0 HG21 THR A 24 5.223 16.121 3.874 1.00 62.44 H new ATOM 0 HG22 THR A 24 6.233 16.248 2.413 1.00 62.44 H new ATOM 0 HG23 THR A 24 5.380 17.682 3.032 1.00 62.44 H new ATOM 375 N PHE A 25 3.445 15.970 -1.525 1.00 4.24 N ATOM 376 CA PHE A 25 2.507 15.467 -2.537 1.00 2.12 C ATOM 377 C PHE A 25 1.909 14.116 -2.099 1.00 21.33 C ATOM 378 O PHE A 25 2.615 13.095 -2.039 1.00 62.22 O ATOM 379 CB PHE A 25 3.211 15.342 -3.917 1.00 23.43 C ATOM 380 CG PHE A 25 3.724 16.674 -4.484 1.00 54.25 C ATOM 381 CD1 PHE A 25 2.855 17.552 -5.130 1.00 21.13 C ATOM 382 CD2 PHE A 25 5.069 17.039 -4.378 1.00 61.02 C ATOM 383 CE1 PHE A 25 3.310 18.750 -5.650 1.00 63.43 C ATOM 384 CE2 PHE A 25 5.522 18.237 -4.899 1.00 73.32 C ATOM 385 CZ PHE A 25 4.642 19.092 -5.535 1.00 4.25 C ATOM 0 H PHE A 25 4.418 15.960 -1.832 1.00 4.24 H new ATOM 0 HA PHE A 25 1.690 16.181 -2.636 1.00 2.12 H new ATOM 0 HB2 PHE A 25 4.050 14.653 -3.823 1.00 23.43 H new ATOM 0 HB3 PHE A 25 2.514 14.901 -4.629 1.00 23.43 H new ATOM 0 HD1 PHE A 25 1.811 17.293 -5.226 1.00 21.13 H new ATOM 0 HD2 PHE A 25 5.764 16.377 -3.883 1.00 61.02 H new ATOM 0 HE1 PHE A 25 2.622 19.418 -6.147 1.00 63.43 H new ATOM 0 HE2 PHE A 25 6.564 18.505 -4.809 1.00 73.32 H new ATOM 0 HZ PHE A 25 4.997 20.027 -5.942 1.00 4.25 H new ATOM 395 N ASP A 26 0.614 14.145 -1.748 1.00 11.33 N ATOM 396 CA ASP A 26 -0.164 12.947 -1.395 1.00 72.42 C ATOM 397 C ASP A 26 -0.626 12.217 -2.670 1.00 33.11 C ATOM 398 O ASP A 26 -0.796 12.835 -3.728 1.00 33.44 O ATOM 399 CB ASP A 26 -1.383 13.356 -0.512 1.00 51.15 C ATOM 400 CG ASP A 26 -2.393 12.211 -0.267 1.00 75.32 C ATOM 401 OD1 ASP A 26 -2.086 11.282 0.504 1.00 34.14 O ATOM 402 OD2 ASP A 26 -3.485 12.228 -0.870 1.00 42.53 O ATOM 0 H ASP A 26 0.073 15.008 -1.701 1.00 11.33 H new ATOM 0 HA ASP A 26 0.464 12.262 -0.825 1.00 72.42 H new ATOM 0 HB2 ASP A 26 -1.018 13.717 0.450 1.00 51.15 H new ATOM 0 HB3 ASP A 26 -1.901 14.188 -0.989 1.00 51.15 H new ATOM 407 N TYR A 27 -0.808 10.893 -2.562 1.00 45.11 N ATOM 408 CA TYR A 27 -1.364 10.053 -3.638 1.00 33.12 C ATOM 409 C TYR A 27 -2.542 9.251 -3.065 1.00 1.23 C ATOM 410 O TYR A 27 -2.333 8.381 -2.224 1.00 74.01 O ATOM 411 CB TYR A 27 -0.297 9.072 -4.215 1.00 52.15 C ATOM 412 CG TYR A 27 0.959 9.728 -4.825 1.00 15.43 C ATOM 413 CD1 TYR A 27 2.018 10.160 -4.016 1.00 73.42 C ATOM 414 CD2 TYR A 27 1.085 9.910 -6.200 1.00 51.43 C ATOM 415 CE1 TYR A 27 3.142 10.747 -4.562 1.00 52.13 C ATOM 416 CE2 TYR A 27 2.208 10.499 -6.750 1.00 62.21 C ATOM 417 CZ TYR A 27 3.232 10.917 -5.929 1.00 71.21 C ATOM 418 OH TYR A 27 4.358 11.500 -6.477 1.00 14.31 O ATOM 0 H TYR A 27 -0.572 10.369 -1.719 1.00 45.11 H new ATOM 0 HA TYR A 27 -1.691 10.699 -4.453 1.00 33.12 H new ATOM 0 HB2 TYR A 27 0.019 8.399 -3.418 1.00 52.15 H new ATOM 0 HB3 TYR A 27 -0.772 8.459 -4.981 1.00 52.15 H new ATOM 0 HD1 TYR A 27 1.954 10.031 -2.946 1.00 73.42 H new ATOM 0 HD2 TYR A 27 0.287 9.584 -6.851 1.00 51.43 H new ATOM 0 HE1 TYR A 27 3.948 11.072 -3.922 1.00 52.13 H new ATOM 0 HE2 TYR A 27 2.282 10.631 -7.819 1.00 62.21 H new ATOM 0 HH TYR A 27 4.262 11.544 -7.451 1.00 14.31 H new ATOM 428 N THR A 28 -3.776 9.590 -3.477 1.00 2.50 N ATOM 429 CA THR A 28 -4.992 8.830 -3.104 1.00 52.41 C ATOM 430 C THR A 28 -5.574 8.149 -4.353 1.00 5.25 C ATOM 431 O THR A 28 -5.937 8.822 -5.322 1.00 23.43 O ATOM 432 CB THR A 28 -6.073 9.745 -2.429 1.00 54.22 C ATOM 433 OG1 THR A 28 -5.534 10.303 -1.227 1.00 21.11 O ATOM 434 CG2 THR A 28 -7.378 8.985 -2.080 1.00 51.02 C ATOM 0 H THR A 28 -3.963 10.394 -4.076 1.00 2.50 H new ATOM 0 HA THR A 28 -4.707 8.075 -2.371 1.00 52.41 H new ATOM 0 HB THR A 28 -6.327 10.521 -3.150 1.00 54.22 H new ATOM 0 HG1 THR A 28 -4.852 10.969 -1.453 1.00 21.11 H new ATOM 0 HG21 THR A 28 -8.086 9.672 -1.616 1.00 51.02 H new ATOM 0 HG22 THR A 28 -7.814 8.574 -2.990 1.00 51.02 H new ATOM 0 HG23 THR A 28 -7.153 8.174 -1.388 1.00 51.02 H new ATOM 442 N TYR A 29 -5.642 6.809 -4.326 1.00 40.40 N ATOM 443 CA TYR A 29 -6.261 6.005 -5.393 1.00 11.24 C ATOM 444 C TYR A 29 -7.402 5.173 -4.799 1.00 75.32 C ATOM 445 O TYR A 29 -7.283 4.659 -3.687 1.00 61.44 O ATOM 446 CB TYR A 29 -5.221 5.074 -6.069 1.00 13.40 C ATOM 447 CG TYR A 29 -4.063 5.815 -6.770 1.00 13.33 C ATOM 448 CD1 TYR A 29 -4.270 6.515 -7.965 1.00 52.03 C ATOM 449 CD2 TYR A 29 -2.767 5.803 -6.246 1.00 53.43 C ATOM 450 CE1 TYR A 29 -3.232 7.165 -8.605 1.00 70.44 C ATOM 451 CE2 TYR A 29 -1.730 6.456 -6.884 1.00 51.02 C ATOM 452 CZ TYR A 29 -1.966 7.134 -8.060 1.00 30.42 C ATOM 453 OH TYR A 29 -0.928 7.767 -8.709 1.00 72.31 O ATOM 0 H TYR A 29 -5.267 6.249 -3.560 1.00 40.40 H new ATOM 0 HA TYR A 29 -6.651 6.679 -6.156 1.00 11.24 H new ATOM 0 HB2 TYR A 29 -4.805 4.406 -5.315 1.00 13.40 H new ATOM 0 HB3 TYR A 29 -5.732 4.449 -6.801 1.00 13.40 H new ATOM 0 HD1 TYR A 29 -5.260 6.548 -8.395 1.00 52.03 H new ATOM 0 HD2 TYR A 29 -2.573 5.273 -5.325 1.00 53.43 H new ATOM 0 HE1 TYR A 29 -3.412 7.695 -9.529 1.00 70.44 H new ATOM 0 HE2 TYR A 29 -0.736 6.435 -6.462 1.00 51.02 H new ATOM 0 HH TYR A 29 -0.102 7.652 -8.194 1.00 72.31 H new ATOM 463 N THR A 30 -8.501 5.055 -5.546 1.00 71.53 N ATOM 464 CA THR A 30 -9.682 4.288 -5.142 1.00 33.35 C ATOM 465 C THR A 30 -10.011 3.267 -6.241 1.00 40.04 C ATOM 466 O THR A 30 -10.459 3.633 -7.337 1.00 3.43 O ATOM 467 CB THR A 30 -10.891 5.240 -4.877 1.00 2.32 C ATOM 468 OG1 THR A 30 -10.527 6.199 -3.863 1.00 44.32 O ATOM 469 CG2 THR A 30 -12.154 4.486 -4.426 1.00 4.23 C ATOM 0 H THR A 30 -8.598 5.495 -6.461 1.00 71.53 H new ATOM 0 HA THR A 30 -9.476 3.758 -4.212 1.00 33.35 H new ATOM 0 HB THR A 30 -11.125 5.736 -5.819 1.00 2.32 H new ATOM 0 HG1 THR A 30 -11.283 6.800 -3.695 1.00 44.32 H new ATOM 0 HG21 THR A 30 -12.962 5.198 -4.256 1.00 4.23 H new ATOM 0 HG22 THR A 30 -12.451 3.778 -5.200 1.00 4.23 H new ATOM 0 HG23 THR A 30 -11.945 3.947 -3.502 1.00 4.23 H new ATOM 477 N VAL A 31 -9.723 1.988 -5.950 1.00 60.05 N ATOM 478 CA VAL A 31 -9.989 0.853 -6.848 1.00 43.21 C ATOM 479 C VAL A 31 -10.971 -0.111 -6.157 1.00 24.04 C ATOM 480 O VAL A 31 -11.150 -0.050 -4.946 1.00 63.21 O ATOM 481 CB VAL A 31 -8.650 0.099 -7.236 1.00 70.33 C ATOM 482 CG1 VAL A 31 -7.660 1.049 -7.960 1.00 64.14 C ATOM 483 CG2 VAL A 31 -7.982 -0.565 -6.005 1.00 33.31 C ATOM 0 H VAL A 31 -9.291 1.709 -5.069 1.00 60.05 H new ATOM 0 HA VAL A 31 -10.429 1.228 -7.772 1.00 43.21 H new ATOM 0 HB VAL A 31 -8.921 -0.698 -7.928 1.00 70.33 H new ATOM 0 HG11 VAL A 31 -6.751 0.503 -8.213 1.00 64.14 H new ATOM 0 HG12 VAL A 31 -8.121 1.429 -8.872 1.00 64.14 H new ATOM 0 HG13 VAL A 31 -7.411 1.883 -7.304 1.00 64.14 H new ATOM 0 HG21 VAL A 31 -7.068 -1.071 -6.316 1.00 33.31 H new ATOM 0 HG22 VAL A 31 -7.741 0.199 -5.266 1.00 33.31 H new ATOM 0 HG23 VAL A 31 -8.667 -1.291 -5.567 1.00 33.31 H new ATOM 493 N THR A 32 -11.622 -0.981 -6.933 1.00 61.32 N ATOM 494 CA THR A 32 -12.532 -2.022 -6.389 1.00 25.23 C ATOM 495 C THR A 32 -11.976 -3.429 -6.681 1.00 60.33 C ATOM 496 O THR A 32 -12.360 -4.408 -6.035 1.00 53.52 O ATOM 497 CB THR A 32 -13.987 -1.868 -6.971 1.00 31.44 C ATOM 498 OG1 THR A 32 -14.888 -2.776 -6.311 1.00 63.03 O ATOM 499 CG2 THR A 32 -14.047 -2.110 -8.489 1.00 72.33 C ATOM 0 H THR A 32 -11.542 -0.994 -7.950 1.00 61.32 H new ATOM 0 HA THR A 32 -12.590 -1.888 -5.309 1.00 25.23 H new ATOM 0 HB THR A 32 -14.289 -0.837 -6.786 1.00 31.44 H new ATOM 0 HG1 THR A 32 -15.789 -2.669 -6.681 1.00 63.03 H new ATOM 0 HG21 THR A 32 -15.073 -1.991 -8.836 1.00 72.33 H new ATOM 0 HG22 THR A 32 -13.406 -1.390 -8.998 1.00 72.33 H new ATOM 0 HG23 THR A 32 -13.704 -3.121 -8.710 1.00 72.33 H new ATOM 507 N THR A 33 -11.054 -3.510 -7.652 1.00 33.41 N ATOM 508 CA THR A 33 -10.457 -4.764 -8.121 1.00 21.33 C ATOM 509 C THR A 33 -8.947 -4.744 -7.825 1.00 2.54 C ATOM 510 O THR A 33 -8.297 -3.694 -7.943 1.00 2.15 O ATOM 511 CB THR A 33 -10.698 -4.923 -9.658 1.00 54.05 C ATOM 512 OG1 THR A 33 -12.100 -4.767 -9.944 1.00 31.33 O ATOM 513 CG2 THR A 33 -10.227 -6.278 -10.197 1.00 73.21 C ATOM 0 H THR A 33 -10.698 -2.689 -8.141 1.00 33.41 H new ATOM 0 HA THR A 33 -10.918 -5.606 -7.604 1.00 21.33 H new ATOM 0 HB THR A 33 -10.110 -4.150 -10.154 1.00 54.05 H new ATOM 0 HG1 THR A 33 -12.250 -4.865 -10.907 1.00 31.33 H new ATOM 0 HG21 THR A 33 -10.420 -6.330 -11.268 1.00 73.21 H new ATOM 0 HG22 THR A 33 -9.158 -6.390 -10.015 1.00 73.21 H new ATOM 0 HG23 THR A 33 -10.767 -7.078 -9.691 1.00 73.21 H new ATOM 521 N GLU A 34 -8.393 -5.917 -7.464 1.00 73.34 N ATOM 522 CA GLU A 34 -6.962 -6.066 -7.137 1.00 71.54 C ATOM 523 C GLU A 34 -6.081 -5.988 -8.388 1.00 2.05 C ATOM 524 O GLU A 34 -4.936 -5.574 -8.291 1.00 52.33 O ATOM 525 CB GLU A 34 -6.699 -7.380 -6.370 1.00 4.04 C ATOM 526 CG GLU A 34 -7.446 -7.489 -5.026 1.00 74.53 C ATOM 527 CD GLU A 34 -6.985 -8.694 -4.198 1.00 0.34 C ATOM 528 OE1 GLU A 34 -5.870 -8.629 -3.635 1.00 61.04 O ATOM 529 OE2 GLU A 34 -7.702 -9.717 -4.135 1.00 60.52 O ATOM 0 H GLU A 34 -8.923 -6.786 -7.391 1.00 73.34 H new ATOM 0 HA GLU A 34 -6.694 -5.231 -6.490 1.00 71.54 H new ATOM 0 HB2 GLU A 34 -6.987 -8.220 -7.002 1.00 4.04 H new ATOM 0 HB3 GLU A 34 -5.629 -7.472 -6.186 1.00 4.04 H new ATOM 0 HG2 GLU A 34 -7.290 -6.576 -4.452 1.00 74.53 H new ATOM 0 HG3 GLU A 34 -8.517 -7.569 -5.214 1.00 74.53 H new ATOM 536 N SER A 35 -6.629 -6.371 -9.556 1.00 70.41 N ATOM 537 CA SER A 35 -5.924 -6.239 -10.857 1.00 43.31 C ATOM 538 C SER A 35 -5.546 -4.771 -11.129 1.00 61.30 C ATOM 539 O SER A 35 -4.494 -4.483 -11.717 1.00 35.43 O ATOM 540 CB SER A 35 -6.796 -6.791 -12.005 1.00 43.41 C ATOM 541 OG SER A 35 -7.166 -8.136 -11.750 1.00 22.41 O ATOM 0 H SER A 35 -7.562 -6.777 -9.631 1.00 70.41 H new ATOM 0 HA SER A 35 -5.006 -6.825 -10.806 1.00 43.31 H new ATOM 0 HB2 SER A 35 -7.690 -6.177 -12.117 1.00 43.41 H new ATOM 0 HB3 SER A 35 -6.248 -6.731 -12.946 1.00 43.41 H new ATOM 0 HG SER A 35 -7.720 -8.468 -12.487 1.00 22.41 H new ATOM 547 N GLU A 36 -6.420 -3.856 -10.671 1.00 64.42 N ATOM 548 CA GLU A 36 -6.181 -2.407 -10.729 1.00 72.24 C ATOM 549 C GLU A 36 -5.074 -2.019 -9.733 1.00 42.44 C ATOM 550 O GLU A 36 -4.081 -1.381 -10.110 1.00 64.53 O ATOM 551 CB GLU A 36 -7.490 -1.635 -10.398 1.00 60.24 C ATOM 552 CG GLU A 36 -8.699 -1.993 -11.276 1.00 30.41 C ATOM 553 CD GLU A 36 -9.971 -1.216 -10.891 1.00 35.51 C ATOM 554 OE1 GLU A 36 -10.561 -1.506 -9.826 1.00 52.25 O ATOM 555 OE2 GLU A 36 -10.405 -0.324 -11.650 1.00 14.02 O ATOM 0 H GLU A 36 -7.315 -4.105 -10.249 1.00 64.42 H new ATOM 0 HA GLU A 36 -5.862 -2.141 -11.737 1.00 72.24 H new ATOM 0 HB2 GLU A 36 -7.750 -1.822 -9.356 1.00 60.24 H new ATOM 0 HB3 GLU A 36 -7.297 -0.566 -10.492 1.00 60.24 H new ATOM 0 HG2 GLU A 36 -8.457 -1.789 -12.319 1.00 30.41 H new ATOM 0 HG3 GLU A 36 -8.895 -3.062 -11.197 1.00 30.41 H new ATOM 562 N LEU A 37 -5.263 -2.469 -8.475 1.00 35.43 N ATOM 563 CA LEU A 37 -4.390 -2.142 -7.326 1.00 73.44 C ATOM 564 C LEU A 37 -2.919 -2.533 -7.580 1.00 54.05 C ATOM 565 O LEU A 37 -2.009 -1.762 -7.278 1.00 30.32 O ATOM 566 CB LEU A 37 -4.924 -2.854 -6.043 1.00 73.11 C ATOM 567 CG LEU A 37 -4.125 -2.595 -4.721 1.00 51.25 C ATOM 568 CD1 LEU A 37 -4.067 -1.091 -4.374 1.00 51.05 C ATOM 569 CD2 LEU A 37 -4.694 -3.424 -3.543 1.00 2.22 C ATOM 0 H LEU A 37 -6.040 -3.080 -8.224 1.00 35.43 H new ATOM 0 HA LEU A 37 -4.415 -1.061 -7.187 1.00 73.44 H new ATOM 0 HB2 LEU A 37 -5.957 -2.544 -5.885 1.00 73.11 H new ATOM 0 HB3 LEU A 37 -4.939 -3.928 -6.229 1.00 73.11 H new ATOM 0 HG LEU A 37 -3.101 -2.928 -4.893 1.00 51.25 H new ATOM 0 HD11 LEU A 37 -3.505 -0.952 -3.451 1.00 51.05 H new ATOM 0 HD12 LEU A 37 -3.576 -0.550 -5.183 1.00 51.05 H new ATOM 0 HD13 LEU A 37 -5.079 -0.708 -4.243 1.00 51.05 H new ATOM 0 HD21 LEU A 37 -4.116 -3.220 -2.642 1.00 2.22 H new ATOM 0 HD22 LEU A 37 -5.736 -3.151 -3.376 1.00 2.22 H new ATOM 0 HD23 LEU A 37 -4.631 -4.486 -3.782 1.00 2.22 H new ATOM 581 N GLN A 38 -2.718 -3.733 -8.154 1.00 50.51 N ATOM 582 CA GLN A 38 -1.382 -4.291 -8.433 1.00 24.02 C ATOM 583 C GLN A 38 -0.585 -3.366 -9.354 1.00 62.30 C ATOM 584 O GLN A 38 0.544 -2.982 -9.029 1.00 74.34 O ATOM 585 CB GLN A 38 -1.499 -5.719 -9.045 1.00 65.10 C ATOM 586 CG GLN A 38 -2.067 -6.789 -8.084 1.00 62.55 C ATOM 587 CD GLN A 38 -1.139 -7.205 -6.927 1.00 1.44 C ATOM 588 OE1 GLN A 38 -0.286 -6.450 -6.463 1.00 14.34 O ATOM 589 NE2 GLN A 38 -1.319 -8.420 -6.432 1.00 35.45 N ATOM 0 H GLN A 38 -3.482 -4.346 -8.439 1.00 50.51 H new ATOM 0 HA GLN A 38 -0.843 -4.369 -7.489 1.00 24.02 H new ATOM 0 HB2 GLN A 38 -2.135 -5.670 -9.929 1.00 65.10 H new ATOM 0 HB3 GLN A 38 -0.512 -6.038 -9.380 1.00 65.10 H new ATOM 0 HG2 GLN A 38 -2.999 -6.414 -7.661 1.00 62.55 H new ATOM 0 HG3 GLN A 38 -2.315 -7.678 -8.664 1.00 62.55 H new ATOM 0 HE21 GLN A 38 -2.031 -9.032 -6.830 1.00 35.45 H new ATOM 0 HE22 GLN A 38 -0.745 -8.743 -5.653 1.00 35.45 H new ATOM 598 N LYS A 39 -1.220 -2.966 -10.475 1.00 22.01 N ATOM 599 CA LYS A 39 -0.600 -2.072 -11.469 1.00 44.41 C ATOM 600 C LYS A 39 -0.242 -0.717 -10.840 1.00 42.35 C ATOM 601 O LYS A 39 0.856 -0.189 -11.070 1.00 71.24 O ATOM 602 CB LYS A 39 -1.523 -1.872 -12.704 1.00 20.20 C ATOM 603 CG LYS A 39 -1.839 -3.166 -13.489 1.00 61.24 C ATOM 604 CD LYS A 39 -2.511 -2.897 -14.864 1.00 54.32 C ATOM 605 CE LYS A 39 -3.838 -2.125 -14.762 1.00 72.12 C ATOM 606 NZ LYS A 39 -4.857 -2.844 -13.962 1.00 64.14 N ATOM 0 H LYS A 39 -2.170 -3.252 -10.714 1.00 22.01 H new ATOM 0 HA LYS A 39 0.320 -2.548 -11.810 1.00 44.41 H new ATOM 0 HB2 LYS A 39 -2.461 -1.426 -12.372 1.00 20.20 H new ATOM 0 HB3 LYS A 39 -1.053 -1.158 -13.380 1.00 20.20 H new ATOM 0 HG2 LYS A 39 -0.915 -3.723 -13.646 1.00 61.24 H new ATOM 0 HG3 LYS A 39 -2.494 -3.797 -12.889 1.00 61.24 H new ATOM 0 HD2 LYS A 39 -1.821 -2.334 -15.492 1.00 54.32 H new ATOM 0 HD3 LYS A 39 -2.692 -3.849 -15.363 1.00 54.32 H new ATOM 0 HE2 LYS A 39 -3.652 -1.149 -14.314 1.00 72.12 H new ATOM 0 HE3 LYS A 39 -4.228 -1.947 -15.764 1.00 72.12 H new ATOM 0 HZ1 LYS A 39 -5.700 -2.245 -13.854 1.00 64.14 H new ATOM 0 HZ2 LYS A 39 -5.119 -3.726 -14.446 1.00 64.14 H new ATOM 0 HZ3 LYS A 39 -4.468 -3.067 -13.024 1.00 64.14 H new ATOM 620 N VAL A 40 -1.176 -0.186 -10.021 1.00 73.40 N ATOM 621 CA VAL A 40 -0.989 1.080 -9.294 1.00 54.42 C ATOM 622 C VAL A 40 0.285 1.029 -8.426 1.00 65.13 C ATOM 623 O VAL A 40 1.166 1.860 -8.599 1.00 63.53 O ATOM 624 CB VAL A 40 -2.252 1.437 -8.405 1.00 63.43 C ATOM 625 CG1 VAL A 40 -1.975 2.625 -7.453 1.00 34.41 C ATOM 626 CG2 VAL A 40 -3.496 1.725 -9.285 1.00 71.21 C ATOM 0 H VAL A 40 -2.080 -0.626 -9.848 1.00 73.40 H new ATOM 0 HA VAL A 40 -0.874 1.869 -10.037 1.00 54.42 H new ATOM 0 HB VAL A 40 -2.460 0.562 -7.789 1.00 63.43 H new ATOM 0 HG11 VAL A 40 -2.868 2.835 -6.863 1.00 34.41 H new ATOM 0 HG12 VAL A 40 -1.151 2.372 -6.786 1.00 34.41 H new ATOM 0 HG13 VAL A 40 -1.711 3.506 -8.038 1.00 34.41 H new ATOM 0 HG21 VAL A 40 -4.346 1.967 -8.646 1.00 71.21 H new ATOM 0 HG22 VAL A 40 -3.288 2.567 -9.945 1.00 71.21 H new ATOM 0 HG23 VAL A 40 -3.731 0.844 -9.883 1.00 71.21 H new ATOM 636 N LEU A 41 0.390 -0.001 -7.563 1.00 23.22 N ATOM 637 CA LEU A 41 1.450 -0.105 -6.524 1.00 24.33 C ATOM 638 C LEU A 41 2.888 -0.150 -7.098 1.00 15.52 C ATOM 639 O LEU A 41 3.832 0.262 -6.410 1.00 44.44 O ATOM 640 CB LEU A 41 1.185 -1.333 -5.601 1.00 64.01 C ATOM 641 CG LEU A 41 -0.108 -1.256 -4.721 1.00 23.14 C ATOM 642 CD1 LEU A 41 -0.304 -2.550 -3.895 1.00 64.34 C ATOM 643 CD2 LEU A 41 -0.107 0.001 -3.812 1.00 13.21 C ATOM 0 H LEU A 41 -0.257 -0.790 -7.562 1.00 23.22 H new ATOM 0 HA LEU A 41 1.394 0.813 -5.938 1.00 24.33 H new ATOM 0 HB2 LEU A 41 1.126 -2.226 -6.224 1.00 64.01 H new ATOM 0 HB3 LEU A 41 2.044 -1.461 -4.942 1.00 64.01 H new ATOM 0 HG LEU A 41 -0.957 -1.165 -5.398 1.00 23.14 H new ATOM 0 HD11 LEU A 41 -1.210 -2.465 -3.295 1.00 64.34 H new ATOM 0 HD12 LEU A 41 -0.394 -3.402 -4.569 1.00 64.34 H new ATOM 0 HD13 LEU A 41 0.554 -2.696 -3.238 1.00 64.34 H new ATOM 0 HD21 LEU A 41 -1.020 0.020 -3.216 1.00 13.21 H new ATOM 0 HD22 LEU A 41 0.758 -0.030 -3.150 1.00 13.21 H new ATOM 0 HD23 LEU A 41 -0.059 0.897 -4.430 1.00 13.21 H new ATOM 655 N ASN A 42 3.049 -0.637 -8.347 1.00 5.34 N ATOM 656 CA ASN A 42 4.371 -0.659 -9.030 1.00 71.01 C ATOM 657 C ASN A 42 4.830 0.773 -9.353 1.00 61.21 C ATOM 658 O ASN A 42 5.940 1.182 -8.988 1.00 55.13 O ATOM 659 CB ASN A 42 4.327 -1.484 -10.344 1.00 24.42 C ATOM 660 CG ASN A 42 4.156 -2.984 -10.125 1.00 64.23 C ATOM 661 OD1 ASN A 42 5.129 -3.705 -9.942 1.00 35.22 O ATOM 662 ND2 ASN A 42 2.928 -3.457 -10.172 1.00 15.34 N ATOM 0 H ASN A 42 2.286 -1.020 -8.905 1.00 5.34 H new ATOM 0 HA ASN A 42 5.077 -1.132 -8.348 1.00 71.01 H new ATOM 0 HB2 ASN A 42 3.506 -1.121 -10.962 1.00 24.42 H new ATOM 0 HB3 ASN A 42 5.247 -1.310 -10.902 1.00 24.42 H new ATOM 0 HD21 ASN A 42 2.762 -4.456 -10.054 1.00 15.34 H new ATOM 0 HD22 ASN A 42 2.143 -2.824 -10.326 1.00 15.34 H new ATOM 669 N GLU A 43 3.962 1.516 -10.060 1.00 74.53 N ATOM 670 CA GLU A 43 4.241 2.900 -10.483 1.00 44.00 C ATOM 671 C GLU A 43 4.246 3.857 -9.280 1.00 22.15 C ATOM 672 O GLU A 43 5.012 4.812 -9.257 1.00 74.34 O ATOM 673 CB GLU A 43 3.208 3.353 -11.561 1.00 12.15 C ATOM 674 CG GLU A 43 3.510 2.864 -13.001 1.00 20.35 C ATOM 675 CD GLU A 43 3.474 1.333 -13.175 1.00 52.02 C ATOM 676 OE1 GLU A 43 2.384 0.781 -13.402 1.00 33.20 O ATOM 677 OE2 GLU A 43 4.535 0.679 -13.092 1.00 75.04 O ATOM 0 H GLU A 43 3.047 1.175 -10.355 1.00 74.53 H new ATOM 0 HA GLU A 43 5.236 2.931 -10.927 1.00 44.00 H new ATOM 0 HB2 GLU A 43 2.221 2.994 -11.271 1.00 12.15 H new ATOM 0 HB3 GLU A 43 3.163 4.442 -11.565 1.00 12.15 H new ATOM 0 HG2 GLU A 43 2.787 3.312 -13.683 1.00 20.35 H new ATOM 0 HG3 GLU A 43 4.494 3.228 -13.296 1.00 20.35 H new ATOM 684 N LEU A 44 3.399 3.548 -8.285 1.00 61.43 N ATOM 685 CA LEU A 44 3.263 4.299 -7.016 1.00 42.51 C ATOM 686 C LEU A 44 4.587 4.249 -6.240 1.00 34.35 C ATOM 687 O LEU A 44 5.050 5.270 -5.712 1.00 73.40 O ATOM 688 CB LEU A 44 2.067 3.687 -6.216 1.00 73.14 C ATOM 689 CG LEU A 44 1.755 4.218 -4.767 1.00 62.22 C ATOM 690 CD1 LEU A 44 0.252 4.054 -4.439 1.00 43.21 C ATOM 691 CD2 LEU A 44 2.610 3.501 -3.687 1.00 72.23 C ATOM 0 H LEU A 44 2.770 2.747 -8.338 1.00 61.43 H new ATOM 0 HA LEU A 44 3.049 5.352 -7.197 1.00 42.51 H new ATOM 0 HB2 LEU A 44 1.167 3.825 -6.816 1.00 73.14 H new ATOM 0 HB3 LEU A 44 2.239 2.613 -6.141 1.00 73.14 H new ATOM 0 HG LEU A 44 2.015 5.276 -4.752 1.00 62.22 H new ATOM 0 HD11 LEU A 44 0.056 4.427 -3.434 1.00 43.21 H new ATOM 0 HD12 LEU A 44 -0.341 4.620 -5.157 1.00 43.21 H new ATOM 0 HD13 LEU A 44 -0.020 3.000 -4.495 1.00 43.21 H new ATOM 0 HD21 LEU A 44 2.362 3.899 -2.703 1.00 72.23 H new ATOM 0 HD22 LEU A 44 2.402 2.431 -3.709 1.00 72.23 H new ATOM 0 HD23 LEU A 44 3.668 3.669 -3.890 1.00 72.23 H new ATOM 703 N LYS A 45 5.173 3.039 -6.190 1.00 32.00 N ATOM 704 CA LYS A 45 6.510 2.792 -5.620 1.00 73.54 C ATOM 705 C LYS A 45 7.566 3.701 -6.278 1.00 73.14 C ATOM 706 O LYS A 45 8.416 4.273 -5.593 1.00 0.44 O ATOM 707 CB LYS A 45 6.885 1.300 -5.838 1.00 42.10 C ATOM 708 CG LYS A 45 8.325 0.907 -5.433 1.00 50.24 C ATOM 709 CD LYS A 45 8.643 -0.578 -5.729 1.00 21.33 C ATOM 710 CE LYS A 45 8.469 -0.935 -7.216 1.00 44.33 C ATOM 711 NZ LYS A 45 8.745 -2.370 -7.472 1.00 72.12 N ATOM 0 H LYS A 45 4.726 2.195 -6.549 1.00 32.00 H new ATOM 0 HA LYS A 45 6.488 3.019 -4.554 1.00 73.54 H new ATOM 0 HB2 LYS A 45 6.187 0.682 -5.274 1.00 42.10 H new ATOM 0 HB3 LYS A 45 6.744 1.059 -6.892 1.00 42.10 H new ATOM 0 HG2 LYS A 45 9.034 1.540 -5.967 1.00 50.24 H new ATOM 0 HG3 LYS A 45 8.464 1.099 -4.369 1.00 50.24 H new ATOM 0 HD2 LYS A 45 9.667 -0.794 -5.425 1.00 21.33 H new ATOM 0 HD3 LYS A 45 7.991 -1.212 -5.128 1.00 21.33 H new ATOM 0 HE2 LYS A 45 7.453 -0.698 -7.531 1.00 44.33 H new ATOM 0 HE3 LYS A 45 9.140 -0.322 -7.818 1.00 44.33 H new ATOM 0 HZ1 LYS A 45 8.292 -2.657 -8.363 1.00 72.12 H new ATOM 0 HZ2 LYS A 45 9.772 -2.519 -7.542 1.00 72.12 H new ATOM 0 HZ3 LYS A 45 8.365 -2.941 -6.691 1.00 72.12 H new ATOM 725 N ASP A 46 7.465 3.833 -7.611 1.00 32.32 N ATOM 726 CA ASP A 46 8.418 4.613 -8.426 1.00 70.34 C ATOM 727 C ASP A 46 8.154 6.138 -8.299 1.00 21.33 C ATOM 728 O ASP A 46 9.074 6.942 -8.469 1.00 53.45 O ATOM 729 CB ASP A 46 8.346 4.136 -9.902 1.00 24.20 C ATOM 730 CG ASP A 46 9.418 4.769 -10.812 1.00 24.45 C ATOM 731 OD1 ASP A 46 10.623 4.510 -10.600 1.00 33.22 O ATOM 732 OD2 ASP A 46 9.065 5.526 -11.741 1.00 54.21 O ATOM 0 H ASP A 46 6.719 3.402 -8.157 1.00 32.32 H new ATOM 0 HA ASP A 46 9.428 4.441 -8.055 1.00 70.34 H new ATOM 0 HB2 ASP A 46 8.453 3.052 -9.930 1.00 24.20 H new ATOM 0 HB3 ASP A 46 7.359 4.369 -10.302 1.00 24.20 H new ATOM 737 N TYR A 47 6.893 6.522 -7.987 1.00 74.21 N ATOM 738 CA TYR A 47 6.505 7.937 -7.753 1.00 41.02 C ATOM 739 C TYR A 47 7.119 8.459 -6.439 1.00 51.22 C ATOM 740 O TYR A 47 7.525 9.624 -6.350 1.00 74.22 O ATOM 741 CB TYR A 47 4.957 8.110 -7.713 1.00 41.45 C ATOM 742 CG TYR A 47 4.213 7.813 -9.032 1.00 23.14 C ATOM 743 CD1 TYR A 47 4.832 7.988 -10.272 1.00 13.05 C ATOM 744 CD2 TYR A 47 2.891 7.345 -9.034 1.00 11.15 C ATOM 745 CE1 TYR A 47 4.171 7.717 -11.449 1.00 1.11 C ATOM 746 CE2 TYR A 47 2.230 7.072 -10.217 1.00 61.33 C ATOM 747 CZ TYR A 47 2.878 7.255 -11.418 1.00 72.01 C ATOM 748 OH TYR A 47 2.231 6.978 -12.596 1.00 5.11 O ATOM 0 H TYR A 47 6.119 5.865 -7.890 1.00 74.21 H new ATOM 0 HA TYR A 47 6.892 8.520 -8.589 1.00 41.02 H new ATOM 0 HB2 TYR A 47 4.557 7.457 -6.938 1.00 41.45 H new ATOM 0 HB3 TYR A 47 4.732 9.134 -7.414 1.00 41.45 H new ATOM 0 HD1 TYR A 47 5.851 8.344 -10.308 1.00 13.05 H new ATOM 0 HD2 TYR A 47 2.380 7.195 -8.094 1.00 11.15 H new ATOM 0 HE1 TYR A 47 4.669 7.868 -12.396 1.00 1.11 H new ATOM 0 HE2 TYR A 47 1.210 6.717 -10.199 1.00 61.33 H new ATOM 0 HH TYR A 47 1.324 6.659 -12.404 1.00 5.11 H new ATOM 758 N ILE A 48 7.147 7.574 -5.428 1.00 52.32 N ATOM 759 CA ILE A 48 7.788 7.854 -4.132 1.00 51.10 C ATOM 760 C ILE A 48 9.321 7.795 -4.283 1.00 73.14 C ATOM 761 O ILE A 48 10.044 8.617 -3.723 1.00 64.11 O ATOM 762 CB ILE A 48 7.297 6.834 -3.027 1.00 72.20 C ATOM 763 CG1 ILE A 48 5.741 6.914 -2.864 1.00 71.04 C ATOM 764 CG2 ILE A 48 8.008 7.069 -1.666 1.00 75.21 C ATOM 765 CD1 ILE A 48 5.156 5.949 -1.843 1.00 62.35 C ATOM 0 H ILE A 48 6.727 6.646 -5.486 1.00 52.32 H new ATOM 0 HA ILE A 48 7.502 8.856 -3.811 1.00 51.10 H new ATOM 0 HB ILE A 48 7.564 5.831 -3.360 1.00 72.20 H new ATOM 0 HG12 ILE A 48 5.472 7.931 -2.578 1.00 71.04 H new ATOM 0 HG13 ILE A 48 5.278 6.722 -3.832 1.00 71.04 H new ATOM 0 HG21 ILE A 48 7.642 6.348 -0.935 1.00 75.21 H new ATOM 0 HG22 ILE A 48 9.084 6.945 -1.791 1.00 75.21 H new ATOM 0 HG23 ILE A 48 7.798 8.079 -1.315 1.00 75.21 H new ATOM 0 HD11 ILE A 48 4.074 6.077 -1.799 1.00 62.35 H new ATOM 0 HD12 ILE A 48 5.389 4.925 -2.135 1.00 62.35 H new ATOM 0 HD13 ILE A 48 5.585 6.153 -0.862 1.00 62.35 H new ATOM 777 N LYS A 49 9.795 6.826 -5.082 1.00 4.41 N ATOM 778 CA LYS A 49 11.237 6.602 -5.328 1.00 41.31 C ATOM 779 C LYS A 49 11.848 7.736 -6.182 1.00 64.53 C ATOM 780 O LYS A 49 13.069 7.931 -6.190 1.00 60.22 O ATOM 781 CB LYS A 49 11.445 5.222 -6.009 1.00 62.12 C ATOM 782 CG LYS A 49 12.916 4.762 -6.144 1.00 3.15 C ATOM 783 CD LYS A 49 13.050 3.305 -6.655 1.00 52.33 C ATOM 784 CE LYS A 49 12.383 3.076 -8.017 1.00 1.41 C ATOM 785 NZ LYS A 49 12.980 3.915 -9.087 1.00 34.40 N ATOM 0 H LYS A 49 9.191 6.171 -5.579 1.00 4.41 H new ATOM 0 HA LYS A 49 11.755 6.606 -4.369 1.00 41.31 H new ATOM 0 HB2 LYS A 49 10.898 4.470 -5.441 1.00 62.12 H new ATOM 0 HB3 LYS A 49 11.000 5.256 -7.004 1.00 62.12 H new ATOM 0 HG2 LYS A 49 13.439 5.431 -6.828 1.00 3.15 H new ATOM 0 HG3 LYS A 49 13.408 4.848 -5.175 1.00 3.15 H new ATOM 0 HD2 LYS A 49 14.107 3.049 -6.728 1.00 52.33 H new ATOM 0 HD3 LYS A 49 12.608 2.629 -5.923 1.00 52.33 H new ATOM 0 HE2 LYS A 49 12.473 2.025 -8.291 1.00 1.41 H new ATOM 0 HE3 LYS A 49 11.318 3.295 -7.939 1.00 1.41 H new ATOM 0 HZ1 LYS A 49 12.222 4.341 -9.658 1.00 34.40 H new ATOM 0 HZ2 LYS A 49 13.555 4.668 -8.658 1.00 34.40 H new ATOM 0 HZ3 LYS A 49 13.582 3.325 -9.696 1.00 34.40 H new ATOM 799 N LYS A 50 10.981 8.471 -6.910 1.00 31.30 N ATOM 800 CA LYS A 50 11.377 9.662 -7.686 1.00 33.33 C ATOM 801 C LYS A 50 11.977 10.733 -6.755 1.00 43.20 C ATOM 802 O LYS A 50 13.011 11.339 -7.064 1.00 23.31 O ATOM 803 CB LYS A 50 10.153 10.247 -8.446 1.00 21.53 C ATOM 804 CG LYS A 50 10.463 11.501 -9.305 1.00 35.11 C ATOM 805 CD LYS A 50 9.197 12.160 -9.903 1.00 53.11 C ATOM 806 CE LYS A 50 8.438 11.232 -10.860 1.00 41.00 C ATOM 807 NZ LYS A 50 7.219 11.878 -11.414 1.00 41.40 N ATOM 0 H LYS A 50 9.986 8.254 -6.975 1.00 31.30 H new ATOM 0 HA LYS A 50 12.132 9.363 -8.413 1.00 33.33 H new ATOM 0 HB2 LYS A 50 9.740 9.473 -9.093 1.00 21.53 H new ATOM 0 HB3 LYS A 50 9.380 10.502 -7.721 1.00 21.53 H new ATOM 0 HG2 LYS A 50 10.990 12.232 -8.692 1.00 35.11 H new ATOM 0 HG3 LYS A 50 11.136 11.221 -10.115 1.00 35.11 H new ATOM 0 HD2 LYS A 50 8.533 12.461 -9.093 1.00 53.11 H new ATOM 0 HD3 LYS A 50 9.482 13.068 -10.435 1.00 53.11 H new ATOM 0 HE2 LYS A 50 9.096 10.938 -11.678 1.00 41.00 H new ATOM 0 HE3 LYS A 50 8.157 10.320 -10.334 1.00 41.00 H new ATOM 0 HZ1 LYS A 50 6.737 11.217 -12.055 1.00 41.40 H new ATOM 0 HZ2 LYS A 50 6.579 12.135 -10.636 1.00 41.40 H new ATOM 0 HZ3 LYS A 50 7.488 12.735 -11.939 1.00 41.40 H new ATOM 821 N GLN A 51 11.311 10.937 -5.605 1.00 65.44 N ATOM 822 CA GLN A 51 11.735 11.908 -4.580 1.00 31.05 C ATOM 823 C GLN A 51 12.445 11.192 -3.414 1.00 62.24 C ATOM 824 O GLN A 51 12.515 9.960 -3.376 1.00 43.22 O ATOM 825 CB GLN A 51 10.511 12.773 -4.115 1.00 52.23 C ATOM 826 CG GLN A 51 9.249 12.011 -3.614 1.00 45.02 C ATOM 827 CD GLN A 51 9.335 11.413 -2.197 1.00 72.03 C ATOM 828 OE1 GLN A 51 8.703 10.407 -1.900 1.00 25.30 O ATOM 829 NE2 GLN A 51 10.083 12.044 -1.298 1.00 15.03 N ATOM 0 H GLN A 51 10.460 10.431 -5.359 1.00 65.44 H new ATOM 0 HA GLN A 51 12.464 12.595 -5.009 1.00 31.05 H new ATOM 0 HB2 GLN A 51 10.848 13.431 -3.314 1.00 52.23 H new ATOM 0 HB3 GLN A 51 10.212 13.410 -4.947 1.00 52.23 H new ATOM 0 HG2 GLN A 51 8.400 12.694 -3.647 1.00 45.02 H new ATOM 0 HG3 GLN A 51 9.035 11.204 -4.314 1.00 45.02 H new ATOM 0 HE21 GLN A 51 10.603 12.881 -1.564 1.00 15.03 H new ATOM 0 HE22 GLN A 51 10.138 11.692 -0.342 1.00 15.03 H new ATOM 838 N GLY A 52 12.968 11.983 -2.467 1.00 34.42 N ATOM 839 CA GLY A 52 13.678 11.456 -1.304 1.00 12.43 C ATOM 840 C GLY A 52 14.258 12.579 -0.460 1.00 33.41 C ATOM 841 O GLY A 52 14.973 13.441 -0.990 1.00 75.52 O ATOM 0 H GLY A 52 12.909 13.001 -2.489 1.00 34.42 H new ATOM 0 HA2 GLY A 52 12.997 10.857 -0.699 1.00 12.43 H new ATOM 0 HA3 GLY A 52 14.479 10.793 -1.633 1.00 12.43 H new ATOM 845 N CYS A 53 13.939 12.572 0.842 1.00 12.54 N ATOM 846 CA CYS A 53 14.408 13.580 1.807 1.00 42.13 C ATOM 847 C CYS A 53 14.279 13.003 3.216 1.00 35.33 C ATOM 848 O CYS A 53 15.231 13.024 4.003 1.00 74.45 O ATOM 849 CB CYS A 53 13.596 14.890 1.684 1.00 44.34 C ATOM 850 SG CYS A 53 14.101 16.208 2.813 1.00 24.23 S ATOM 0 H CYS A 53 13.342 11.859 1.261 1.00 12.54 H new ATOM 0 HA CYS A 53 15.450 13.821 1.597 1.00 42.13 H new ATOM 0 HB2 CYS A 53 13.679 15.257 0.661 1.00 44.34 H new ATOM 0 HB3 CYS A 53 12.544 14.666 1.858 1.00 44.34 H new ATOM 0 HG CYS A 53 14.763 15.697 3.808 1.00 24.23 H new ATOM 856 N LYS A 54 13.064 12.499 3.524 1.00 31.12 N ATOM 857 CA LYS A 54 12.761 11.754 4.763 1.00 11.03 C ATOM 858 C LYS A 54 11.836 10.555 4.423 1.00 72.33 C ATOM 859 O LYS A 54 11.887 10.040 3.296 1.00 44.13 O ATOM 860 CB LYS A 54 12.133 12.694 5.846 1.00 23.22 C ATOM 861 CG LYS A 54 13.091 13.763 6.418 1.00 54.21 C ATOM 862 CD LYS A 54 12.557 14.435 7.705 1.00 24.31 C ATOM 863 CE LYS A 54 11.235 15.186 7.497 1.00 53.41 C ATOM 864 NZ LYS A 54 10.747 15.795 8.766 1.00 32.32 N ATOM 0 H LYS A 54 12.256 12.600 2.910 1.00 31.12 H new ATOM 0 HA LYS A 54 13.686 11.366 5.190 1.00 11.03 H new ATOM 0 HB2 LYS A 54 11.269 13.197 5.412 1.00 23.22 H new ATOM 0 HB3 LYS A 54 11.765 12.081 6.668 1.00 23.22 H new ATOM 0 HG2 LYS A 54 14.055 13.301 6.630 1.00 54.21 H new ATOM 0 HG3 LYS A 54 13.264 14.528 5.661 1.00 54.21 H new ATOM 0 HD2 LYS A 54 12.417 13.674 8.472 1.00 24.31 H new ATOM 0 HD3 LYS A 54 13.307 15.131 8.080 1.00 24.31 H new ATOM 0 HE2 LYS A 54 11.372 15.965 6.747 1.00 53.41 H new ATOM 0 HE3 LYS A 54 10.483 14.499 7.109 1.00 53.41 H new ATOM 0 HZ1 LYS A 54 9.852 16.295 8.590 1.00 32.32 H new ATOM 0 HZ2 LYS A 54 10.593 15.048 9.473 1.00 32.32 H new ATOM 0 HZ3 LYS A 54 11.455 16.468 9.123 1.00 32.32 H new ATOM 878 N ARG A 55 10.987 10.125 5.381 1.00 72.12 N ATOM 879 CA ARG A 55 10.263 8.839 5.308 1.00 71.35 C ATOM 880 C ARG A 55 8.818 9.029 4.789 1.00 12.21 C ATOM 881 O ARG A 55 8.252 10.132 4.872 1.00 41.41 O ATOM 882 CB ARG A 55 10.251 8.201 6.728 1.00 23.44 C ATOM 883 CG ARG A 55 10.043 6.668 6.770 1.00 62.22 C ATOM 884 CD ARG A 55 10.007 6.130 8.218 1.00 41.45 C ATOM 885 NE ARG A 55 11.070 6.713 9.058 1.00 51.54 N ATOM 886 CZ ARG A 55 11.065 6.747 10.400 1.00 2.25 C ATOM 887 NH1 ARG A 55 10.058 6.217 11.102 1.00 11.25 N ATOM 888 NH2 ARG A 55 12.044 7.381 11.031 1.00 73.20 N ATOM 0 H ARG A 55 10.785 10.660 6.226 1.00 72.12 H new ATOM 0 HA ARG A 55 10.772 8.182 4.603 1.00 71.35 H new ATOM 0 HB2 ARG A 55 11.195 8.435 7.220 1.00 23.44 H new ATOM 0 HB3 ARG A 55 9.461 8.673 7.312 1.00 23.44 H new ATOM 0 HG2 ARG A 55 9.111 6.414 6.265 1.00 62.22 H new ATOM 0 HG3 ARG A 55 10.847 6.178 6.221 1.00 62.22 H new ATOM 0 HD2 ARG A 55 9.036 6.350 8.661 1.00 41.45 H new ATOM 0 HD3 ARG A 55 10.113 5.045 8.203 1.00 41.45 H new ATOM 0 HE ARG A 55 11.873 7.123 8.581 1.00 51.54 H new ATOM 0 HH11 ARG A 55 9.275 5.777 10.618 1.00 11.25 H new ATOM 0 HH12 ARG A 55 10.073 6.253 12.121 1.00 11.25 H new ATOM 0 HH21 ARG A 55 12.786 7.833 10.497 1.00 73.20 H new ATOM 0 HH22 ARG A 55 12.055 7.416 12.050 1.00 73.20 H new ATOM 902 N SER A 56 8.232 7.932 4.278 1.00 44.22 N ATOM 903 CA SER A 56 6.846 7.889 3.781 1.00 60.53 C ATOM 904 C SER A 56 6.095 6.702 4.418 1.00 52.33 C ATOM 905 O SER A 56 6.707 5.719 4.860 1.00 4.00 O ATOM 906 CB SER A 56 6.829 7.779 2.237 1.00 52.53 C ATOM 907 OG SER A 56 7.473 6.593 1.788 1.00 50.22 O ATOM 0 H SER A 56 8.715 7.037 4.198 1.00 44.22 H new ATOM 0 HA SER A 56 6.341 8.813 4.062 1.00 60.53 H new ATOM 0 HB2 SER A 56 5.798 7.790 1.883 1.00 52.53 H new ATOM 0 HB3 SER A 56 7.324 8.648 1.805 1.00 52.53 H new ATOM 0 HG SER A 56 6.880 5.825 1.929 1.00 50.22 H new ATOM 913 N ARG A 57 4.761 6.833 4.487 1.00 45.44 N ATOM 914 CA ARG A 57 3.840 5.799 4.982 1.00 13.54 C ATOM 915 C ARG A 57 2.688 5.636 3.975 1.00 20.31 C ATOM 916 O ARG A 57 1.892 6.563 3.799 1.00 21.21 O ATOM 917 CB ARG A 57 3.244 6.200 6.358 1.00 10.41 C ATOM 918 CG ARG A 57 4.224 6.212 7.551 1.00 42.25 C ATOM 919 CD ARG A 57 3.519 6.636 8.856 1.00 52.42 C ATOM 920 NE ARG A 57 4.382 6.503 10.039 1.00 41.42 N ATOM 921 CZ ARG A 57 4.183 7.119 11.218 1.00 65.53 C ATOM 922 NH1 ARG A 57 3.150 7.943 11.407 1.00 32.23 N ATOM 923 NH2 ARG A 57 5.011 6.888 12.221 1.00 0.12 N ATOM 0 H ARG A 57 4.281 7.683 4.192 1.00 45.44 H new ATOM 0 HA ARG A 57 4.392 4.866 5.096 1.00 13.54 H new ATOM 0 HB2 ARG A 57 2.807 7.194 6.265 1.00 10.41 H new ATOM 0 HB3 ARG A 57 2.430 5.514 6.591 1.00 10.41 H new ATOM 0 HG2 ARG A 57 4.659 5.220 7.676 1.00 42.25 H new ATOM 0 HG3 ARG A 57 5.046 6.896 7.341 1.00 42.25 H new ATOM 0 HD2 ARG A 57 3.190 7.671 8.766 1.00 52.42 H new ATOM 0 HD3 ARG A 57 2.625 6.029 8.994 1.00 52.42 H new ATOM 0 HE ARG A 57 5.197 5.895 9.959 1.00 41.42 H new ATOM 0 HH11 ARG A 57 2.491 8.117 10.648 1.00 32.23 H new ATOM 0 HH12 ARG A 57 3.020 8.399 12.310 1.00 32.23 H new ATOM 0 HH21 ARG A 57 5.794 6.246 12.098 1.00 0.12 H new ATOM 0 HH22 ARG A 57 4.867 7.351 13.118 1.00 0.12 H new ATOM 937 N THR A 58 2.583 4.467 3.335 1.00 62.44 N ATOM 938 CA THR A 58 1.477 4.177 2.403 1.00 20.32 C ATOM 939 C THR A 58 0.383 3.402 3.154 1.00 52.13 C ATOM 940 O THR A 58 0.684 2.489 3.926 1.00 1.34 O ATOM 941 CB THR A 58 1.976 3.354 1.173 1.00 43.14 C ATOM 942 OG1 THR A 58 3.052 4.057 0.530 1.00 12.15 O ATOM 943 CG2 THR A 58 0.858 3.097 0.143 1.00 32.22 C ATOM 0 H THR A 58 3.249 3.702 3.442 1.00 62.44 H new ATOM 0 HA THR A 58 1.074 5.118 2.028 1.00 20.32 H new ATOM 0 HB THR A 58 2.313 2.387 1.546 1.00 43.14 H new ATOM 0 HG1 THR A 58 3.366 3.540 -0.241 1.00 12.15 H new ATOM 0 HG21 THR A 58 1.258 2.521 -0.692 1.00 32.22 H new ATOM 0 HG22 THR A 58 0.050 2.538 0.615 1.00 32.22 H new ATOM 0 HG23 THR A 58 0.475 4.049 -0.224 1.00 32.22 H new ATOM 951 N SER A 59 -0.882 3.785 2.929 1.00 13.21 N ATOM 952 CA SER A 59 -2.026 3.262 3.680 1.00 51.45 C ATOM 953 C SER A 59 -3.076 2.665 2.729 1.00 64.04 C ATOM 954 O SER A 59 -3.619 3.378 1.901 1.00 51.01 O ATOM 955 CB SER A 59 -2.631 4.412 4.522 1.00 52.44 C ATOM 956 OG SER A 59 -1.666 4.962 5.413 1.00 72.30 O ATOM 0 H SER A 59 -1.139 4.469 2.217 1.00 13.21 H new ATOM 0 HA SER A 59 -1.696 2.461 4.342 1.00 51.45 H new ATOM 0 HB2 SER A 59 -3.005 5.193 3.860 1.00 52.44 H new ATOM 0 HB3 SER A 59 -3.484 4.040 5.090 1.00 52.44 H new ATOM 0 HG SER A 59 -1.687 4.472 6.261 1.00 72.30 H new ATOM 962 N ILE A 60 -3.371 1.355 2.881 1.00 63.24 N ATOM 963 CA ILE A 60 -4.355 0.629 2.045 1.00 13.04 C ATOM 964 C ILE A 60 -5.513 0.137 2.929 1.00 64.40 C ATOM 965 O ILE A 60 -5.281 -0.339 4.042 1.00 3.33 O ATOM 966 CB ILE A 60 -3.684 -0.590 1.283 1.00 53.24 C ATOM 967 CG1 ILE A 60 -2.599 -0.079 0.276 1.00 54.31 C ATOM 968 CG2 ILE A 60 -4.735 -1.476 0.566 1.00 53.33 C ATOM 969 CD1 ILE A 60 -1.954 -1.157 -0.585 1.00 4.03 C ATOM 0 H ILE A 60 -2.932 0.768 3.590 1.00 63.24 H new ATOM 0 HA ILE A 60 -4.738 1.315 1.289 1.00 13.04 H new ATOM 0 HB ILE A 60 -3.196 -1.216 2.031 1.00 53.24 H new ATOM 0 HG12 ILE A 60 -3.056 0.662 -0.380 1.00 54.31 H new ATOM 0 HG13 ILE A 60 -1.817 0.431 0.838 1.00 54.31 H new ATOM 0 HG21 ILE A 60 -4.232 -2.298 0.057 1.00 53.33 H new ATOM 0 HG22 ILE A 60 -5.434 -1.877 1.300 1.00 53.33 H new ATOM 0 HG23 ILE A 60 -5.279 -0.877 -0.164 1.00 53.33 H new ATOM 0 HD11 ILE A 60 -1.218 -0.702 -1.247 1.00 4.03 H new ATOM 0 HD12 ILE A 60 -1.462 -1.888 0.056 1.00 4.03 H new ATOM 0 HD13 ILE A 60 -2.720 -1.654 -1.181 1.00 4.03 H new ATOM 981 N THR A 61 -6.755 0.262 2.422 1.00 74.23 N ATOM 982 CA THR A 61 -7.973 -0.145 3.139 1.00 20.05 C ATOM 983 C THR A 61 -8.003 -1.675 3.354 1.00 52.31 C ATOM 984 O THR A 61 -8.032 -2.446 2.384 1.00 34.11 O ATOM 985 CB THR A 61 -9.248 0.321 2.366 1.00 61.22 C ATOM 986 OG1 THR A 61 -9.212 1.749 2.207 1.00 5.11 O ATOM 987 CG2 THR A 61 -10.556 -0.081 3.082 1.00 73.14 C ATOM 0 H THR A 61 -6.939 0.651 1.497 1.00 74.23 H new ATOM 0 HA THR A 61 -7.964 0.336 4.117 1.00 20.05 H new ATOM 0 HB THR A 61 -9.241 -0.177 1.396 1.00 61.22 H new ATOM 0 HG1 THR A 61 -10.124 2.088 2.085 1.00 5.11 H new ATOM 0 HG21 THR A 61 -11.410 0.268 2.502 1.00 73.14 H new ATOM 0 HG22 THR A 61 -10.600 -1.166 3.177 1.00 73.14 H new ATOM 0 HG23 THR A 61 -10.582 0.371 4.073 1.00 73.14 H new ATOM 995 N ALA A 62 -7.984 -2.084 4.636 1.00 61.24 N ATOM 996 CA ALA A 62 -7.979 -3.490 5.049 1.00 34.51 C ATOM 997 C ALA A 62 -8.341 -3.588 6.547 1.00 40.41 C ATOM 998 O ALA A 62 -7.600 -3.099 7.409 1.00 3.20 O ATOM 999 CB ALA A 62 -6.607 -4.112 4.758 1.00 62.03 C ATOM 0 H ALA A 62 -7.972 -1.434 5.422 1.00 61.24 H new ATOM 0 HA ALA A 62 -8.725 -4.047 4.482 1.00 34.51 H new ATOM 0 HB1 ALA A 62 -6.609 -5.157 5.067 1.00 62.03 H new ATOM 0 HB2 ALA A 62 -6.398 -4.050 3.690 1.00 62.03 H new ATOM 0 HB3 ALA A 62 -5.838 -3.572 5.310 1.00 62.03 H new ATOM 1005 N ARG A 63 -9.506 -4.197 6.830 1.00 41.41 N ATOM 1006 CA ARG A 63 -10.094 -4.298 8.187 1.00 23.13 C ATOM 1007 C ARG A 63 -10.199 -5.762 8.626 1.00 25.32 C ATOM 1008 O ARG A 63 -9.992 -6.083 9.799 1.00 72.21 O ATOM 1009 CB ARG A 63 -11.499 -3.601 8.283 1.00 52.10 C ATOM 1010 CG ARG A 63 -12.437 -3.761 7.056 1.00 31.03 C ATOM 1011 CD ARG A 63 -12.068 -2.816 5.895 1.00 32.43 C ATOM 1012 NE ARG A 63 -13.050 -2.859 4.802 1.00 12.25 N ATOM 1013 CZ ARG A 63 -13.674 -1.792 4.285 1.00 50.15 C ATOM 1014 NH1 ARG A 63 -13.442 -0.569 4.761 1.00 74.33 N ATOM 1015 NH2 ARG A 63 -14.515 -1.953 3.291 1.00 54.23 N ATOM 0 H ARG A 63 -10.079 -4.642 6.113 1.00 41.41 H new ATOM 0 HA ARG A 63 -9.421 -3.770 8.862 1.00 23.13 H new ATOM 0 HB2 ARG A 63 -12.015 -3.992 9.160 1.00 52.10 H new ATOM 0 HB3 ARG A 63 -11.341 -2.536 8.455 1.00 52.10 H new ATOM 0 HG2 ARG A 63 -12.397 -4.792 6.706 1.00 31.03 H new ATOM 0 HG3 ARG A 63 -13.465 -3.568 7.363 1.00 31.03 H new ATOM 0 HD2 ARG A 63 -11.992 -1.796 6.271 1.00 32.43 H new ATOM 0 HD3 ARG A 63 -11.086 -3.087 5.508 1.00 32.43 H new ATOM 0 HE ARG A 63 -13.274 -3.772 4.406 1.00 12.25 H new ATOM 0 HH11 ARG A 63 -12.783 -0.437 5.528 1.00 74.33 H new ATOM 0 HH12 ARG A 63 -13.924 0.235 4.358 1.00 74.33 H new ATOM 0 HH21 ARG A 63 -14.690 -2.886 2.917 1.00 54.23 H new ATOM 0 HH22 ARG A 63 -14.994 -1.145 2.892 1.00 54.23 H new ATOM 1029 N THR A 64 -10.575 -6.643 7.687 1.00 72.43 N ATOM 1030 CA THR A 64 -10.499 -8.092 7.893 1.00 41.01 C ATOM 1031 C THR A 64 -9.022 -8.496 7.834 1.00 40.32 C ATOM 1032 O THR A 64 -8.274 -7.957 7.014 1.00 54.34 O ATOM 1033 CB THR A 64 -11.318 -8.854 6.812 1.00 71.33 C ATOM 1034 OG1 THR A 64 -10.947 -8.380 5.517 1.00 51.55 O ATOM 1035 CG2 THR A 64 -12.830 -8.680 7.000 1.00 54.35 C ATOM 0 H THR A 64 -10.937 -6.372 6.773 1.00 72.43 H new ATOM 0 HA THR A 64 -10.926 -8.353 8.861 1.00 41.01 H new ATOM 0 HB THR A 64 -11.091 -9.915 6.913 1.00 71.33 H new ATOM 0 HG1 THR A 64 -10.878 -9.137 4.899 1.00 51.55 H new ATOM 0 HG21 THR A 64 -13.359 -9.230 6.222 1.00 54.35 H new ATOM 0 HG22 THR A 64 -13.122 -9.064 7.978 1.00 54.35 H new ATOM 0 HG23 THR A 64 -13.085 -7.622 6.934 1.00 54.35 H new ATOM 1043 N LYS A 65 -8.616 -9.436 8.701 1.00 35.34 N ATOM 1044 CA LYS A 65 -7.195 -9.800 8.902 1.00 54.44 C ATOM 1045 C LYS A 65 -6.595 -10.427 7.633 1.00 11.45 C ATOM 1046 O LYS A 65 -5.437 -10.201 7.327 1.00 54.52 O ATOM 1047 CB LYS A 65 -7.013 -10.777 10.104 1.00 32.45 C ATOM 1048 CG LYS A 65 -7.437 -10.232 11.496 1.00 23.31 C ATOM 1049 CD LYS A 65 -8.964 -10.213 11.730 1.00 11.15 C ATOM 1050 CE LYS A 65 -9.592 -11.614 11.643 1.00 64.32 C ATOM 1051 NZ LYS A 65 -11.043 -11.597 11.959 1.00 73.13 N ATOM 0 H LYS A 65 -9.260 -9.969 9.286 1.00 35.34 H new ATOM 0 HA LYS A 65 -6.664 -8.875 9.126 1.00 54.44 H new ATOM 0 HB2 LYS A 65 -7.585 -11.682 9.901 1.00 32.45 H new ATOM 0 HB3 LYS A 65 -5.964 -11.068 10.154 1.00 32.45 H new ATOM 0 HG2 LYS A 65 -6.970 -10.841 12.270 1.00 23.31 H new ATOM 0 HG3 LYS A 65 -7.050 -9.219 11.610 1.00 23.31 H new ATOM 0 HD2 LYS A 65 -9.172 -9.786 12.711 1.00 11.15 H new ATOM 0 HD3 LYS A 65 -9.433 -9.562 10.992 1.00 11.15 H new ATOM 0 HE2 LYS A 65 -9.445 -12.015 10.640 1.00 64.32 H new ATOM 0 HE3 LYS A 65 -9.079 -12.284 12.333 1.00 64.32 H new ATOM 0 HZ1 LYS A 65 -11.425 -12.562 11.888 1.00 73.13 H new ATOM 0 HZ2 LYS A 65 -11.184 -11.239 12.925 1.00 73.13 H new ATOM 0 HZ3 LYS A 65 -11.538 -10.978 11.285 1.00 73.13 H new ATOM 1065 N LYS A 66 -7.421 -11.186 6.905 1.00 64.22 N ATOM 1066 CA LYS A 66 -7.014 -11.894 5.675 1.00 11.54 C ATOM 1067 C LYS A 66 -6.636 -10.895 4.561 1.00 10.01 C ATOM 1068 O LYS A 66 -5.615 -11.059 3.876 1.00 23.23 O ATOM 1069 CB LYS A 66 -8.167 -12.839 5.234 1.00 44.45 C ATOM 1070 CG LYS A 66 -7.938 -13.588 3.902 1.00 40.00 C ATOM 1071 CD LYS A 66 -8.961 -14.728 3.669 1.00 14.43 C ATOM 1072 CE LYS A 66 -10.426 -14.270 3.776 1.00 45.44 C ATOM 1073 NZ LYS A 66 -10.782 -13.239 2.764 1.00 5.30 N ATOM 0 H LYS A 66 -8.400 -11.331 7.151 1.00 64.22 H new ATOM 0 HA LYS A 66 -6.124 -12.492 5.874 1.00 11.54 H new ATOM 0 HB2 LYS A 66 -8.332 -13.575 6.021 1.00 44.45 H new ATOM 0 HB3 LYS A 66 -9.082 -12.253 5.149 1.00 44.45 H new ATOM 0 HG2 LYS A 66 -7.998 -12.878 3.077 1.00 40.00 H new ATOM 0 HG3 LYS A 66 -6.930 -14.003 3.893 1.00 40.00 H new ATOM 0 HD2 LYS A 66 -8.795 -15.158 2.682 1.00 14.43 H new ATOM 0 HD3 LYS A 66 -8.782 -15.520 4.396 1.00 14.43 H new ATOM 0 HE2 LYS A 66 -11.081 -15.133 3.656 1.00 45.44 H new ATOM 0 HE3 LYS A 66 -10.605 -13.870 4.774 1.00 45.44 H new ATOM 0 HZ1 LYS A 66 -10.828 -12.306 3.220 1.00 5.30 H new ATOM 0 HZ2 LYS A 66 -10.060 -13.224 2.015 1.00 5.30 H new ATOM 0 HZ3 LYS A 66 -11.708 -13.466 2.348 1.00 5.30 H new ATOM 1087 N GLU A 67 -7.458 -9.845 4.426 1.00 55.30 N ATOM 1088 CA GLU A 67 -7.210 -8.737 3.483 1.00 12.13 C ATOM 1089 C GLU A 67 -6.077 -7.838 4.004 1.00 3.40 C ATOM 1090 O GLU A 67 -5.289 -7.314 3.221 1.00 54.02 O ATOM 1091 CB GLU A 67 -8.527 -7.933 3.231 1.00 12.33 C ATOM 1092 CG GLU A 67 -9.520 -8.591 2.234 1.00 0.31 C ATOM 1093 CD GLU A 67 -9.814 -10.084 2.509 1.00 30.43 C ATOM 1094 OE1 GLU A 67 -10.610 -10.397 3.423 1.00 0.44 O ATOM 1095 OE2 GLU A 67 -9.243 -10.953 1.821 1.00 4.51 O ATOM 0 H GLU A 67 -8.316 -9.737 4.967 1.00 55.30 H new ATOM 0 HA GLU A 67 -6.889 -9.146 2.525 1.00 12.13 H new ATOM 0 HB2 GLU A 67 -9.035 -7.790 4.185 1.00 12.33 H new ATOM 0 HB3 GLU A 67 -8.264 -6.943 2.858 1.00 12.33 H new ATOM 0 HG2 GLU A 67 -10.459 -8.039 2.259 1.00 0.31 H new ATOM 0 HG3 GLU A 67 -9.120 -8.493 1.225 1.00 0.31 H new ATOM 1102 N ALA A 68 -5.979 -7.713 5.339 1.00 43.41 N ATOM 1103 CA ALA A 68 -4.917 -6.932 6.008 1.00 30.21 C ATOM 1104 C ALA A 68 -3.547 -7.600 5.842 1.00 21.53 C ATOM 1105 O ALA A 68 -2.517 -6.936 5.899 1.00 13.51 O ATOM 1106 CB ALA A 68 -5.264 -6.726 7.490 1.00 4.14 C ATOM 0 H ALA A 68 -6.634 -8.150 5.988 1.00 43.41 H new ATOM 0 HA ALA A 68 -4.857 -5.953 5.532 1.00 30.21 H new ATOM 0 HB1 ALA A 68 -4.474 -6.150 7.972 1.00 4.14 H new ATOM 0 HB2 ALA A 68 -6.208 -6.187 7.571 1.00 4.14 H new ATOM 0 HB3 ALA A 68 -5.356 -7.695 7.980 1.00 4.14 H new ATOM 1112 N GLU A 69 -3.556 -8.920 5.645 1.00 43.33 N ATOM 1113 CA GLU A 69 -2.351 -9.689 5.345 1.00 23.31 C ATOM 1114 C GLU A 69 -1.978 -9.552 3.868 1.00 0.54 C ATOM 1115 O GLU A 69 -0.833 -9.252 3.547 1.00 13.53 O ATOM 1116 CB GLU A 69 -2.546 -11.184 5.722 1.00 64.41 C ATOM 1117 CG GLU A 69 -2.625 -11.460 7.235 1.00 24.30 C ATOM 1118 CD GLU A 69 -1.338 -11.091 7.986 1.00 52.20 C ATOM 1119 OE1 GLU A 69 -0.430 -11.939 8.073 1.00 40.52 O ATOM 1120 OE2 GLU A 69 -1.227 -9.952 8.491 1.00 41.35 O ATOM 0 H GLU A 69 -4.404 -9.486 5.690 1.00 43.33 H new ATOM 0 HA GLU A 69 -1.533 -9.289 5.944 1.00 23.31 H new ATOM 0 HB2 GLU A 69 -3.460 -11.547 5.252 1.00 64.41 H new ATOM 0 HB3 GLU A 69 -1.721 -11.761 5.304 1.00 64.41 H new ATOM 0 HG2 GLU A 69 -3.458 -10.898 7.657 1.00 24.30 H new ATOM 0 HG3 GLU A 69 -2.840 -12.517 7.394 1.00 24.30 H new ATOM 1127 N LYS A 70 -2.966 -9.765 2.975 1.00 72.44 N ATOM 1128 CA LYS A 70 -2.703 -9.890 1.527 1.00 14.30 C ATOM 1129 C LYS A 70 -2.324 -8.537 0.874 1.00 73.02 C ATOM 1130 O LYS A 70 -1.524 -8.507 -0.061 1.00 32.11 O ATOM 1131 CB LYS A 70 -3.920 -10.563 0.811 1.00 51.25 C ATOM 1132 CG LYS A 70 -5.133 -9.649 0.507 1.00 51.42 C ATOM 1133 CD LYS A 70 -6.415 -10.435 0.107 1.00 30.31 C ATOM 1134 CE LYS A 70 -6.186 -11.530 -0.945 1.00 63.12 C ATOM 1135 NZ LYS A 70 -5.641 -11.016 -2.215 1.00 51.35 N ATOM 0 H LYS A 70 -3.950 -9.854 3.230 1.00 72.44 H new ATOM 0 HA LYS A 70 -1.833 -10.535 1.403 1.00 14.30 H new ATOM 0 HB2 LYS A 70 -3.570 -10.990 -0.129 1.00 51.25 H new ATOM 0 HB3 LYS A 70 -4.264 -11.392 1.429 1.00 51.25 H new ATOM 0 HG2 LYS A 70 -5.348 -9.040 1.385 1.00 51.42 H new ATOM 0 HG3 LYS A 70 -4.869 -8.964 -0.299 1.00 51.42 H new ATOM 0 HD2 LYS A 70 -6.841 -10.891 1.001 1.00 30.31 H new ATOM 0 HD3 LYS A 70 -7.154 -9.731 -0.275 1.00 30.31 H new ATOM 0 HE2 LYS A 70 -5.502 -12.276 -0.540 1.00 63.12 H new ATOM 0 HE3 LYS A 70 -7.130 -12.037 -1.142 1.00 63.12 H new ATOM 0 HZ1 LYS A 70 -6.084 -11.518 -3.011 1.00 51.35 H new ATOM 0 HZ2 LYS A 70 -5.842 -9.998 -2.292 1.00 51.35 H new ATOM 0 HZ3 LYS A 70 -4.613 -11.169 -2.239 1.00 51.35 H new ATOM 1149 N PHE A 71 -2.901 -7.426 1.382 1.00 70.21 N ATOM 1150 CA PHE A 71 -2.627 -6.063 0.857 1.00 63.15 C ATOM 1151 C PHE A 71 -1.328 -5.495 1.438 1.00 4.34 C ATOM 1152 O PHE A 71 -0.515 -4.901 0.709 1.00 2.42 O ATOM 1153 CB PHE A 71 -3.811 -5.097 1.157 1.00 51.32 C ATOM 1154 CG PHE A 71 -5.120 -5.450 0.433 1.00 53.44 C ATOM 1155 CD1 PHE A 71 -5.109 -5.912 -0.884 1.00 3.14 C ATOM 1156 CD2 PHE A 71 -6.358 -5.318 1.066 1.00 74.25 C ATOM 1157 CE1 PHE A 71 -6.283 -6.229 -1.533 1.00 73.51 C ATOM 1158 CE2 PHE A 71 -7.534 -5.638 0.408 1.00 30.25 C ATOM 1159 CZ PHE A 71 -7.495 -6.095 -0.891 1.00 23.42 C ATOM 0 H PHE A 71 -3.563 -7.443 2.158 1.00 70.21 H new ATOM 0 HA PHE A 71 -2.514 -6.149 -0.224 1.00 63.15 H new ATOM 0 HB2 PHE A 71 -3.995 -5.091 2.231 1.00 51.32 H new ATOM 0 HB3 PHE A 71 -3.518 -4.085 0.878 1.00 51.32 H new ATOM 0 HD1 PHE A 71 -4.168 -6.023 -1.402 1.00 3.14 H new ATOM 0 HD2 PHE A 71 -6.399 -4.961 2.084 1.00 74.25 H new ATOM 0 HE1 PHE A 71 -6.253 -6.585 -2.552 1.00 73.51 H new ATOM 0 HE2 PHE A 71 -8.482 -5.529 0.914 1.00 30.25 H new ATOM 0 HZ PHE A 71 -8.411 -6.347 -1.404 1.00 23.42 H new ATOM 1169 N ALA A 72 -1.148 -5.669 2.762 1.00 35.21 N ATOM 1170 CA ALA A 72 0.042 -5.174 3.473 1.00 33.25 C ATOM 1171 C ALA A 72 1.303 -5.920 3.022 1.00 12.33 C ATOM 1172 O ALA A 72 2.359 -5.313 2.946 1.00 4.34 O ATOM 1173 CB ALA A 72 -0.135 -5.274 4.992 1.00 51.11 C ATOM 0 H ALA A 72 -1.817 -6.152 3.361 1.00 35.21 H new ATOM 0 HA ALA A 72 0.162 -4.121 3.219 1.00 33.25 H new ATOM 0 HB1 ALA A 72 0.761 -4.901 5.488 1.00 51.11 H new ATOM 0 HB2 ALA A 72 -0.994 -4.678 5.298 1.00 51.11 H new ATOM 0 HB3 ALA A 72 -0.298 -6.315 5.272 1.00 51.11 H new ATOM 1179 N ALA A 73 1.166 -7.230 2.705 1.00 15.11 N ATOM 1180 CA ALA A 73 2.286 -8.061 2.205 1.00 32.51 C ATOM 1181 C ALA A 73 2.935 -7.412 0.973 1.00 33.12 C ATOM 1182 O ALA A 73 4.141 -7.172 0.957 1.00 61.43 O ATOM 1183 CB ALA A 73 1.811 -9.485 1.868 1.00 2.42 C ATOM 0 H ALA A 73 0.284 -7.736 2.788 1.00 15.11 H new ATOM 0 HA ALA A 73 3.031 -8.128 2.998 1.00 32.51 H new ATOM 0 HB1 ALA A 73 2.653 -10.073 1.503 1.00 2.42 H new ATOM 0 HB2 ALA A 73 1.402 -9.954 2.763 1.00 2.42 H new ATOM 0 HB3 ALA A 73 1.041 -9.439 1.098 1.00 2.42 H new ATOM 1189 N ILE A 74 2.090 -7.052 -0.008 1.00 41.32 N ATOM 1190 CA ILE A 74 2.525 -6.394 -1.260 1.00 22.44 C ATOM 1191 C ILE A 74 3.268 -5.077 -0.951 1.00 3.04 C ATOM 1192 O ILE A 74 4.266 -4.749 -1.595 1.00 43.22 O ATOM 1193 CB ILE A 74 1.296 -6.092 -2.209 1.00 11.50 C ATOM 1194 CG1 ILE A 74 0.410 -7.364 -2.408 1.00 44.50 C ATOM 1195 CG2 ILE A 74 1.775 -5.538 -3.578 1.00 11.23 C ATOM 1196 CD1 ILE A 74 -0.896 -7.116 -3.151 1.00 5.54 C ATOM 0 H ILE A 74 1.083 -7.208 0.041 1.00 41.32 H new ATOM 0 HA ILE A 74 3.200 -7.081 -1.771 1.00 22.44 H new ATOM 0 HB ILE A 74 0.685 -5.329 -1.727 1.00 11.50 H new ATOM 0 HG12 ILE A 74 0.987 -8.111 -2.953 1.00 44.50 H new ATOM 0 HG13 ILE A 74 0.182 -7.789 -1.430 1.00 44.50 H new ATOM 0 HG21 ILE A 74 0.911 -5.338 -4.212 1.00 11.23 H new ATOM 0 HG22 ILE A 74 2.332 -4.614 -3.422 1.00 11.23 H new ATOM 0 HG23 ILE A 74 2.419 -6.272 -4.062 1.00 11.23 H new ATOM 0 HD11 ILE A 74 -1.446 -8.053 -3.243 1.00 5.54 H new ATOM 0 HD12 ILE A 74 -1.498 -6.395 -2.598 1.00 5.54 H new ATOM 0 HD13 ILE A 74 -0.680 -6.723 -4.144 1.00 5.54 H new ATOM 1208 N LEU A 75 2.773 -4.361 0.074 1.00 53.44 N ATOM 1209 CA LEU A 75 3.321 -3.062 0.501 1.00 44.42 C ATOM 1210 C LEU A 75 4.684 -3.208 1.219 1.00 10.32 C ATOM 1211 O LEU A 75 5.527 -2.313 1.122 1.00 70.43 O ATOM 1212 CB LEU A 75 2.288 -2.297 1.402 1.00 60.35 C ATOM 1213 CG LEU A 75 1.661 -1.008 0.788 1.00 14.20 C ATOM 1214 CD1 LEU A 75 0.766 -0.288 1.828 1.00 1.31 C ATOM 1215 CD2 LEU A 75 2.768 -0.076 0.226 1.00 75.45 C ATOM 0 H LEU A 75 1.977 -4.669 0.632 1.00 53.44 H new ATOM 0 HA LEU A 75 3.501 -2.474 -0.399 1.00 44.42 H new ATOM 0 HB2 LEU A 75 1.480 -2.984 1.656 1.00 60.35 H new ATOM 0 HB3 LEU A 75 2.782 -2.027 2.335 1.00 60.35 H new ATOM 0 HG LEU A 75 1.022 -1.292 -0.048 1.00 14.20 H new ATOM 0 HD11 LEU A 75 0.338 0.609 1.381 1.00 1.31 H new ATOM 0 HD12 LEU A 75 -0.036 -0.956 2.142 1.00 1.31 H new ATOM 0 HD13 LEU A 75 1.366 -0.010 2.694 1.00 1.31 H new ATOM 0 HD21 LEU A 75 2.310 0.818 -0.198 1.00 75.45 H new ATOM 0 HD22 LEU A 75 3.446 0.210 1.030 1.00 75.45 H new ATOM 0 HD23 LEU A 75 3.326 -0.601 -0.549 1.00 75.45 H new ATOM 1227 N ILE A 76 4.887 -4.320 1.961 1.00 31.24 N ATOM 1228 CA ILE A 76 6.197 -4.633 2.568 1.00 0.32 C ATOM 1229 C ILE A 76 7.208 -4.925 1.447 1.00 64.41 C ATOM 1230 O ILE A 76 8.348 -4.501 1.541 1.00 23.31 O ATOM 1231 CB ILE A 76 6.130 -5.824 3.634 1.00 41.00 C ATOM 1232 CG1 ILE A 76 5.719 -5.317 5.063 1.00 23.14 C ATOM 1233 CG2 ILE A 76 7.465 -6.618 3.741 1.00 43.52 C ATOM 1234 CD1 ILE A 76 4.317 -4.756 5.196 1.00 11.40 C ATOM 0 H ILE A 76 4.162 -5.012 2.152 1.00 31.24 H new ATOM 0 HA ILE A 76 6.523 -3.763 3.138 1.00 0.32 H new ATOM 0 HB ILE A 76 5.360 -6.497 3.257 1.00 41.00 H new ATOM 0 HG12 ILE A 76 5.825 -6.145 5.764 1.00 23.14 H new ATOM 0 HG13 ILE A 76 6.427 -4.547 5.370 1.00 23.14 H new ATOM 0 HG21 ILE A 76 7.358 -7.412 4.480 1.00 43.52 H new ATOM 0 HG22 ILE A 76 7.708 -7.054 2.772 1.00 43.52 H new ATOM 0 HG23 ILE A 76 8.266 -5.944 4.047 1.00 43.52 H new ATOM 0 HD11 ILE A 76 4.148 -4.439 6.225 1.00 11.40 H new ATOM 0 HD12 ILE A 76 4.202 -3.901 4.529 1.00 11.40 H new ATOM 0 HD13 ILE A 76 3.591 -5.524 4.929 1.00 11.40 H new ATOM 1246 N LYS A 77 6.761 -5.624 0.371 1.00 13.55 N ATOM 1247 CA LYS A 77 7.599 -5.871 -0.825 1.00 31.51 C ATOM 1248 C LYS A 77 7.995 -4.531 -1.492 1.00 74.20 C ATOM 1249 O LYS A 77 9.162 -4.349 -1.836 1.00 62.34 O ATOM 1250 CB LYS A 77 6.877 -6.804 -1.857 1.00 11.41 C ATOM 1251 CG LYS A 77 7.091 -8.347 -1.694 1.00 44.14 C ATOM 1252 CD LYS A 77 6.162 -9.063 -0.662 1.00 14.35 C ATOM 1253 CE LYS A 77 6.624 -8.936 0.800 1.00 52.44 C ATOM 1254 NZ LYS A 77 7.962 -9.517 1.032 1.00 74.01 N ATOM 0 H LYS A 77 5.825 -6.025 0.311 1.00 13.55 H new ATOM 0 HA LYS A 77 8.503 -6.383 -0.495 1.00 31.51 H new ATOM 0 HB2 LYS A 77 5.807 -6.603 -1.804 1.00 11.41 H new ATOM 0 HB3 LYS A 77 7.205 -6.521 -2.857 1.00 11.41 H new ATOM 0 HG2 LYS A 77 6.950 -8.818 -2.667 1.00 44.14 H new ATOM 0 HG3 LYS A 77 8.127 -8.521 -1.402 1.00 44.14 H new ATOM 0 HD2 LYS A 77 5.156 -8.652 -0.750 1.00 14.35 H new ATOM 0 HD3 LYS A 77 6.098 -10.120 -0.920 1.00 14.35 H new ATOM 0 HE2 LYS A 77 6.637 -7.883 1.082 1.00 52.44 H new ATOM 0 HE3 LYS A 77 5.901 -9.431 1.449 1.00 52.44 H new ATOM 0 HZ1 LYS A 77 8.110 -9.651 2.053 1.00 74.01 H new ATOM 0 HZ2 LYS A 77 8.030 -10.435 0.548 1.00 74.01 H new ATOM 0 HZ3 LYS A 77 8.689 -8.874 0.659 1.00 74.01 H new ATOM 1268 N VAL A 78 7.019 -3.609 -1.626 1.00 63.44 N ATOM 1269 CA VAL A 78 7.241 -2.247 -2.178 1.00 72.24 C ATOM 1270 C VAL A 78 8.358 -1.520 -1.395 1.00 72.12 C ATOM 1271 O VAL A 78 9.363 -1.090 -1.974 1.00 31.14 O ATOM 1272 CB VAL A 78 5.888 -1.404 -2.153 1.00 22.12 C ATOM 1273 CG1 VAL A 78 6.119 0.110 -2.382 1.00 4.41 C ATOM 1274 CG2 VAL A 78 4.867 -1.964 -3.181 1.00 15.11 C ATOM 0 H VAL A 78 6.051 -3.784 -1.355 1.00 63.44 H new ATOM 0 HA VAL A 78 7.561 -2.343 -3.216 1.00 72.24 H new ATOM 0 HB VAL A 78 5.474 -1.511 -1.150 1.00 22.12 H new ATOM 0 HG11 VAL A 78 5.163 0.632 -2.354 1.00 4.41 H new ATOM 0 HG12 VAL A 78 6.769 0.501 -1.599 1.00 4.41 H new ATOM 0 HG13 VAL A 78 6.588 0.264 -3.354 1.00 4.41 H new ATOM 0 HG21 VAL A 78 3.952 -1.372 -3.145 1.00 15.11 H new ATOM 0 HG22 VAL A 78 5.294 -1.912 -4.183 1.00 15.11 H new ATOM 0 HG23 VAL A 78 4.638 -3.001 -2.938 1.00 15.11 H new ATOM 1284 N TYR A 79 8.188 -1.457 -0.067 1.00 65.03 N ATOM 1285 CA TYR A 79 9.134 -0.791 0.850 1.00 32.24 C ATOM 1286 C TYR A 79 10.438 -1.592 1.044 1.00 71.21 C ATOM 1287 O TYR A 79 11.424 -1.038 1.516 1.00 24.11 O ATOM 1288 CB TYR A 79 8.446 -0.514 2.213 1.00 72.33 C ATOM 1289 CG TYR A 79 7.613 0.777 2.256 1.00 42.42 C ATOM 1290 CD1 TYR A 79 6.357 0.856 1.649 1.00 32.24 C ATOM 1291 CD2 TYR A 79 8.096 1.923 2.894 1.00 71.21 C ATOM 1292 CE1 TYR A 79 5.622 2.024 1.682 1.00 13.33 C ATOM 1293 CE2 TYR A 79 7.364 3.091 2.921 1.00 71.04 C ATOM 1294 CZ TYR A 79 6.131 3.135 2.314 1.00 32.04 C ATOM 1295 OH TYR A 79 5.409 4.303 2.329 1.00 61.31 O ATOM 0 H TYR A 79 7.385 -1.869 0.408 1.00 65.03 H new ATOM 0 HA TYR A 79 9.420 0.156 0.392 1.00 32.24 H new ATOM 0 HB2 TYR A 79 7.799 -1.357 2.457 1.00 72.33 H new ATOM 0 HB3 TYR A 79 9.211 -0.464 2.988 1.00 72.33 H new ATOM 0 HD1 TYR A 79 5.955 -0.011 1.146 1.00 32.24 H new ATOM 0 HD2 TYR A 79 9.062 1.893 3.376 1.00 71.21 H new ATOM 0 HE1 TYR A 79 4.650 2.066 1.213 1.00 13.33 H new ATOM 0 HE2 TYR A 79 7.757 3.967 3.416 1.00 71.04 H new ATOM 0 HH TYR A 79 4.644 4.222 1.722 1.00 61.31 H new ATOM 1305 N ALA A 80 10.425 -2.890 0.705 1.00 24.45 N ATOM 1306 CA ALA A 80 11.626 -3.751 0.776 1.00 55.12 C ATOM 1307 C ALA A 80 12.533 -3.489 -0.425 1.00 55.34 C ATOM 1308 O ALA A 80 13.745 -3.614 -0.323 1.00 61.30 O ATOM 1309 CB ALA A 80 11.245 -5.230 0.838 1.00 14.02 C ATOM 0 H ALA A 80 9.590 -3.374 0.375 1.00 24.45 H new ATOM 0 HA ALA A 80 12.165 -3.504 1.691 1.00 55.12 H new ATOM 0 HB1 ALA A 80 12.149 -5.837 0.889 1.00 14.02 H new ATOM 0 HB2 ALA A 80 10.635 -5.412 1.723 1.00 14.02 H new ATOM 0 HB3 ALA A 80 10.679 -5.498 -0.054 1.00 14.02 H new ATOM 1315 N GLU A 81 11.913 -3.147 -1.563 1.00 13.43 N ATOM 1316 CA GLU A 81 12.630 -2.744 -2.782 1.00 61.21 C ATOM 1317 C GLU A 81 13.201 -1.325 -2.605 1.00 1.10 C ATOM 1318 O GLU A 81 14.305 -1.029 -3.077 1.00 61.34 O ATOM 1319 CB GLU A 81 11.674 -2.821 -3.999 1.00 53.14 C ATOM 1320 CG GLU A 81 11.142 -4.246 -4.280 1.00 13.21 C ATOM 1321 CD GLU A 81 10.069 -4.290 -5.380 1.00 13.12 C ATOM 1322 OE1 GLU A 81 8.877 -4.066 -5.079 1.00 3.31 O ATOM 1323 OE2 GLU A 81 10.420 -4.511 -6.556 1.00 70.40 O ATOM 0 H GLU A 81 10.898 -3.142 -1.665 1.00 13.43 H new ATOM 0 HA GLU A 81 13.463 -3.423 -2.962 1.00 61.21 H new ATOM 0 HB2 GLU A 81 10.829 -2.154 -3.829 1.00 53.14 H new ATOM 0 HB3 GLU A 81 12.196 -2.456 -4.884 1.00 53.14 H new ATOM 0 HG2 GLU A 81 11.975 -4.887 -4.569 1.00 13.21 H new ATOM 0 HG3 GLU A 81 10.727 -4.659 -3.361 1.00 13.21 H new ATOM 1330 N LEU A 82 12.429 -0.471 -1.904 1.00 44.04 N ATOM 1331 CA LEU A 82 12.862 0.891 -1.517 1.00 13.51 C ATOM 1332 C LEU A 82 13.892 0.830 -0.370 1.00 23.02 C ATOM 1333 O LEU A 82 14.724 1.734 -0.217 1.00 51.11 O ATOM 1334 CB LEU A 82 11.628 1.745 -1.088 1.00 73.12 C ATOM 1335 CG LEU A 82 10.511 1.930 -2.165 1.00 54.45 C ATOM 1336 CD1 LEU A 82 9.343 2.799 -1.632 1.00 12.45 C ATOM 1337 CD2 LEU A 82 11.092 2.502 -3.475 1.00 54.23 C ATOM 0 H LEU A 82 11.487 -0.704 -1.589 1.00 44.04 H new ATOM 0 HA LEU A 82 13.335 1.361 -2.379 1.00 13.51 H new ATOM 0 HB2 LEU A 82 11.182 1.284 -0.207 1.00 73.12 H new ATOM 0 HB3 LEU A 82 11.981 2.731 -0.787 1.00 73.12 H new ATOM 0 HG LEU A 82 10.101 0.945 -2.388 1.00 54.45 H new ATOM 0 HD11 LEU A 82 8.585 2.906 -2.408 1.00 12.45 H new ATOM 0 HD12 LEU A 82 8.902 2.319 -0.758 1.00 12.45 H new ATOM 0 HD13 LEU A 82 9.719 3.784 -1.354 1.00 12.45 H new ATOM 0 HD21 LEU A 82 10.293 2.620 -4.206 1.00 54.23 H new ATOM 0 HD22 LEU A 82 11.549 3.471 -3.277 1.00 54.23 H new ATOM 0 HD23 LEU A 82 11.845 1.819 -3.868 1.00 54.23 H new ATOM 1349 N GLY A 83 13.814 -0.248 0.425 1.00 74.45 N ATOM 1350 CA GLY A 83 14.747 -0.512 1.515 1.00 53.11 C ATOM 1351 C GLY A 83 15.644 -1.690 1.194 1.00 12.32 C ATOM 1352 O GLY A 83 16.044 -1.879 0.042 1.00 31.03 O ATOM 0 H GLY A 83 13.093 -0.963 0.323 1.00 74.45 H new ATOM 0 HA2 GLY A 83 15.356 0.373 1.698 1.00 53.11 H new ATOM 0 HA3 GLY A 83 14.192 -0.713 2.432 1.00 53.11 H new ATOM 1356 N TYR A 84 15.968 -2.502 2.208 1.00 61.53 N ATOM 1357 CA TYR A 84 16.841 -3.685 2.061 1.00 44.41 C ATOM 1358 C TYR A 84 16.169 -4.906 2.699 1.00 70.52 C ATOM 1359 O TYR A 84 15.890 -5.897 2.024 1.00 15.45 O ATOM 1360 CB TYR A 84 18.239 -3.416 2.692 1.00 65.20 C ATOM 1361 CG TYR A 84 19.094 -2.402 1.902 1.00 61.15 C ATOM 1362 CD1 TYR A 84 18.950 -1.025 2.091 1.00 31.33 C ATOM 1363 CD2 TYR A 84 20.018 -2.826 0.941 1.00 14.54 C ATOM 1364 CE1 TYR A 84 19.688 -0.123 1.358 1.00 2.35 C ATOM 1365 CE2 TYR A 84 20.752 -1.920 0.200 1.00 73.52 C ATOM 1366 CZ TYR A 84 20.584 -0.574 0.414 1.00 33.51 C ATOM 1367 OH TYR A 84 21.304 0.330 -0.328 1.00 1.43 O ATOM 0 H TYR A 84 15.633 -2.360 3.161 1.00 61.53 H new ATOM 0 HA TYR A 84 16.992 -3.889 1.001 1.00 44.41 H new ATOM 0 HB2 TYR A 84 18.104 -3.048 3.709 1.00 65.20 H new ATOM 0 HB3 TYR A 84 18.783 -4.358 2.763 1.00 65.20 H new ATOM 0 HD1 TYR A 84 18.247 -0.662 2.826 1.00 31.33 H new ATOM 0 HD2 TYR A 84 20.161 -3.884 0.775 1.00 14.54 H new ATOM 0 HE1 TYR A 84 19.565 0.937 1.523 1.00 2.35 H new ATOM 0 HE2 TYR A 84 21.454 -2.268 -0.543 1.00 73.52 H new ATOM 0 HH TYR A 84 21.892 -0.150 -0.948 1.00 1.43 H new ATOM 1377 N ASN A 85 15.890 -4.801 4.006 1.00 2.20 N ATOM 1378 CA ASN A 85 15.316 -5.907 4.807 1.00 54.14 C ATOM 1379 C ASN A 85 14.521 -5.341 5.991 1.00 61.22 C ATOM 1380 O ASN A 85 14.858 -4.259 6.488 1.00 30.04 O ATOM 1381 CB ASN A 85 16.444 -6.853 5.316 1.00 60.51 C ATOM 1382 CG ASN A 85 17.450 -6.164 6.254 1.00 25.15 C ATOM 1383 OD1 ASN A 85 17.274 -6.156 7.469 1.00 75.11 O ATOM 1384 ND2 ASN A 85 18.505 -5.587 5.694 1.00 44.52 N ATOM 0 H ASN A 85 16.054 -3.950 4.543 1.00 2.20 H new ATOM 0 HA ASN A 85 14.642 -6.484 4.174 1.00 54.14 H new ATOM 0 HB2 ASN A 85 15.991 -7.696 5.838 1.00 60.51 H new ATOM 0 HB3 ASN A 85 16.980 -7.260 4.458 1.00 60.51 H new ATOM 0 HD21 ASN A 85 19.199 -5.119 6.276 1.00 44.52 H new ATOM 0 HD22 ASN A 85 18.622 -5.611 4.681 1.00 44.52 H new ATOM 1391 N ASP A 86 13.481 -6.088 6.419 1.00 55.43 N ATOM 1392 CA ASP A 86 12.638 -5.770 7.598 1.00 31.32 C ATOM 1393 C ASP A 86 11.885 -4.428 7.440 1.00 75.54 C ATOM 1394 O ASP A 86 12.476 -3.348 7.532 1.00 21.04 O ATOM 1395 CB ASP A 86 13.470 -5.796 8.915 1.00 60.21 C ATOM 1396 CG ASP A 86 12.648 -5.449 10.167 1.00 73.34 C ATOM 1397 OD1 ASP A 86 11.692 -6.186 10.484 1.00 24.25 O ATOM 1398 OD2 ASP A 86 12.938 -4.428 10.822 1.00 71.21 O ATOM 0 H ASP A 86 13.196 -6.946 5.947 1.00 55.43 H new ATOM 0 HA ASP A 86 11.882 -6.552 7.661 1.00 31.32 H new ATOM 0 HB2 ASP A 86 13.907 -6.787 9.040 1.00 60.21 H new ATOM 0 HB3 ASP A 86 14.297 -5.092 8.827 1.00 60.21 H new ATOM 1403 N ILE A 87 10.573 -4.520 7.196 1.00 2.14 N ATOM 1404 CA ILE A 87 9.677 -3.359 7.036 1.00 15.21 C ATOM 1405 C ILE A 87 8.473 -3.559 7.960 1.00 44.11 C ATOM 1406 O ILE A 87 7.903 -4.656 7.994 1.00 1.03 O ATOM 1407 CB ILE A 87 9.192 -3.212 5.541 1.00 63.52 C ATOM 1408 CG1 ILE A 87 10.399 -2.990 4.567 1.00 3.11 C ATOM 1409 CG2 ILE A 87 8.145 -2.084 5.392 1.00 54.25 C ATOM 1410 CD1 ILE A 87 11.223 -1.728 4.830 1.00 61.41 C ATOM 0 H ILE A 87 10.092 -5.415 7.102 1.00 2.14 H new ATOM 0 HA ILE A 87 10.215 -2.447 7.296 1.00 15.21 H new ATOM 0 HB ILE A 87 8.709 -4.150 5.265 1.00 63.52 H new ATOM 0 HG12 ILE A 87 11.059 -3.855 4.629 1.00 3.11 H new ATOM 0 HG13 ILE A 87 10.019 -2.951 3.546 1.00 3.11 H new ATOM 0 HG21 ILE A 87 7.834 -2.012 4.350 1.00 54.25 H new ATOM 0 HG22 ILE A 87 7.279 -2.307 6.015 1.00 54.25 H new ATOM 0 HG23 ILE A 87 8.583 -1.137 5.706 1.00 54.25 H new ATOM 0 HD11 ILE A 87 12.034 -1.665 4.104 1.00 61.41 H new ATOM 0 HD12 ILE A 87 10.584 -0.850 4.737 1.00 61.41 H new ATOM 0 HD13 ILE A 87 11.640 -1.769 5.836 1.00 61.41 H new ATOM 1422 N ASN A 88 8.061 -2.506 8.690 1.00 32.02 N ATOM 1423 CA ASN A 88 6.955 -2.615 9.664 1.00 32.01 C ATOM 1424 C ASN A 88 5.604 -2.329 8.986 1.00 12.03 C ATOM 1425 O ASN A 88 5.529 -1.573 8.009 1.00 14.33 O ATOM 1426 CB ASN A 88 7.163 -1.664 10.882 1.00 24.51 C ATOM 1427 CG ASN A 88 6.945 -0.176 10.578 1.00 34.43 C ATOM 1428 OD1 ASN A 88 5.821 0.330 10.670 1.00 3.44 O ATOM 1429 ND2 ASN A 88 8.010 0.540 10.250 1.00 54.14 N ATOM 0 H ASN A 88 8.473 -1.575 8.626 1.00 32.02 H new ATOM 0 HA ASN A 88 6.951 -3.638 10.039 1.00 32.01 H new ATOM 0 HB2 ASN A 88 6.481 -1.962 11.679 1.00 24.51 H new ATOM 0 HB3 ASN A 88 8.176 -1.799 11.262 1.00 24.51 H new ATOM 0 HD21 ASN A 88 7.916 1.539 10.065 1.00 54.14 H new ATOM 0 HD22 ASN A 88 8.924 0.093 10.182 1.00 54.14 H new ATOM 1436 N VAL A 89 4.552 -2.961 9.514 1.00 25.33 N ATOM 1437 CA VAL A 89 3.165 -2.672 9.139 1.00 12.22 C ATOM 1438 C VAL A 89 2.396 -2.247 10.398 1.00 33.23 C ATOM 1439 O VAL A 89 2.163 -3.046 11.311 1.00 53.32 O ATOM 1440 CB VAL A 89 2.471 -3.896 8.412 1.00 62.45 C ATOM 1441 CG1 VAL A 89 2.636 -5.228 9.188 1.00 2.55 C ATOM 1442 CG2 VAL A 89 0.978 -3.585 8.107 1.00 40.32 C ATOM 0 H VAL A 89 4.640 -3.693 10.219 1.00 25.33 H new ATOM 0 HA VAL A 89 3.156 -1.858 8.414 1.00 12.22 H new ATOM 0 HB VAL A 89 2.988 -4.037 7.463 1.00 62.45 H new ATOM 0 HG11 VAL A 89 2.140 -6.031 8.642 1.00 2.55 H new ATOM 0 HG12 VAL A 89 3.696 -5.460 9.291 1.00 2.55 H new ATOM 0 HG13 VAL A 89 2.188 -5.131 10.177 1.00 2.55 H new ATOM 0 HG21 VAL A 89 0.523 -4.440 7.608 1.00 40.32 H new ATOM 0 HG22 VAL A 89 0.450 -3.386 9.040 1.00 40.32 H new ATOM 0 HG23 VAL A 89 0.913 -2.710 7.460 1.00 40.32 H new ATOM 1452 N THR A 90 2.067 -0.961 10.460 1.00 22.15 N ATOM 1453 CA THR A 90 1.271 -0.390 11.545 1.00 63.34 C ATOM 1454 C THR A 90 -0.199 -0.370 11.107 1.00 12.44 C ATOM 1455 O THR A 90 -0.581 0.432 10.258 1.00 41.33 O ATOM 1456 CB THR A 90 1.769 1.063 11.866 1.00 20.00 C ATOM 1457 OG1 THR A 90 3.175 1.038 12.164 1.00 33.15 O ATOM 1458 CG2 THR A 90 1.009 1.705 13.049 1.00 61.34 C ATOM 0 H THR A 90 2.346 -0.279 9.755 1.00 22.15 H new ATOM 0 HA THR A 90 1.377 -0.991 12.448 1.00 63.34 H new ATOM 0 HB THR A 90 1.574 1.671 10.982 1.00 20.00 H new ATOM 0 HG1 THR A 90 3.676 0.801 11.356 1.00 33.15 H new ATOM 0 HG21 THR A 90 1.394 2.709 13.227 1.00 61.34 H new ATOM 0 HG22 THR A 90 -0.053 1.761 12.812 1.00 61.34 H new ATOM 0 HG23 THR A 90 1.149 1.099 13.944 1.00 61.34 H new ATOM 1466 N TRP A 91 -1.016 -1.270 11.674 1.00 44.35 N ATOM 1467 CA TRP A 91 -2.449 -1.311 11.369 1.00 21.41 C ATOM 1468 C TRP A 91 -3.132 -0.198 12.179 1.00 42.03 C ATOM 1469 O TRP A 91 -3.187 -0.273 13.406 1.00 43.23 O ATOM 1470 CB TRP A 91 -3.045 -2.712 11.689 1.00 74.22 C ATOM 1471 CG TRP A 91 -4.478 -2.925 11.222 1.00 35.14 C ATOM 1472 CD1 TRP A 91 -5.117 -2.299 10.184 1.00 74.31 C ATOM 1473 CD2 TRP A 91 -5.426 -3.857 11.757 1.00 30.22 C ATOM 1474 NE1 TRP A 91 -6.395 -2.766 10.061 1.00 55.23 N ATOM 1475 CE2 TRP A 91 -6.607 -3.727 11.007 1.00 50.15 C ATOM 1476 CE3 TRP A 91 -5.388 -4.784 12.801 1.00 33.11 C ATOM 1477 CZ2 TRP A 91 -7.736 -4.490 11.268 1.00 44.13 C ATOM 1478 CZ3 TRP A 91 -6.512 -5.543 13.058 1.00 22.02 C ATOM 1479 CH2 TRP A 91 -7.674 -5.393 12.291 1.00 35.03 C ATOM 0 H TRP A 91 -0.708 -1.975 12.343 1.00 44.35 H new ATOM 0 HA TRP A 91 -2.619 -1.143 10.305 1.00 21.41 H new ATOM 0 HB2 TRP A 91 -2.413 -3.472 11.230 1.00 74.22 H new ATOM 0 HB3 TRP A 91 -3.003 -2.870 12.767 1.00 74.22 H new ATOM 0 HD1 TRP A 91 -4.673 -1.543 9.553 1.00 74.31 H new ATOM 0 HE1 TRP A 91 -7.079 -2.448 9.374 1.00 55.23 H new ATOM 0 HE3 TRP A 91 -4.495 -4.905 13.397 1.00 33.11 H new ATOM 0 HZ2 TRP A 91 -8.635 -4.374 10.681 1.00 44.13 H new ATOM 0 HZ3 TRP A 91 -6.495 -6.263 13.863 1.00 22.02 H new ATOM 0 HH2 TRP A 91 -8.537 -6.003 12.512 1.00 35.03 H new ATOM 1490 N ASP A 92 -3.608 0.842 11.470 1.00 32.15 N ATOM 1491 CA ASP A 92 -4.225 2.030 12.085 1.00 64.15 C ATOM 1492 C ASP A 92 -5.647 1.712 12.605 1.00 64.45 C ATOM 1493 O ASP A 92 -6.060 2.206 13.663 1.00 35.05 O ATOM 1494 CB ASP A 92 -4.270 3.184 11.047 1.00 23.12 C ATOM 1495 CG ASP A 92 -4.895 4.474 11.609 1.00 62.23 C ATOM 1496 OD1 ASP A 92 -4.185 5.261 12.267 1.00 41.14 O ATOM 1497 OD2 ASP A 92 -6.109 4.692 11.421 1.00 72.32 O ATOM 0 H ASP A 92 -3.575 0.881 10.451 1.00 32.15 H new ATOM 0 HA ASP A 92 -3.622 2.336 12.940 1.00 64.15 H new ATOM 0 HB2 ASP A 92 -3.257 3.397 10.704 1.00 23.12 H new ATOM 0 HB3 ASP A 92 -4.840 2.860 10.176 1.00 23.12 H new ATOM 1502 N GLY A 93 -6.370 0.861 11.857 1.00 32.24 N ATOM 1503 CA GLY A 93 -7.772 0.534 12.146 1.00 15.32 C ATOM 1504 C GLY A 93 -8.614 0.793 10.914 1.00 0.20 C ATOM 1505 O GLY A 93 -8.742 1.947 10.501 1.00 33.14 O ATOM 0 H GLY A 93 -5.997 0.383 11.037 1.00 32.24 H new ATOM 0 HA2 GLY A 93 -7.859 -0.510 12.446 1.00 15.32 H new ATOM 0 HA3 GLY A 93 -8.133 1.136 12.980 1.00 15.32 H new ATOM 1509 N ASP A 94 -9.101 -0.306 10.296 1.00 63.33 N ATOM 1510 CA ASP A 94 -9.847 -0.318 8.998 1.00 65.45 C ATOM 1511 C ASP A 94 -8.894 -0.122 7.789 1.00 52.53 C ATOM 1512 O ASP A 94 -9.258 -0.410 6.649 1.00 22.20 O ATOM 1513 CB ASP A 94 -11.030 0.712 8.972 1.00 53.01 C ATOM 1514 CG ASP A 94 -11.940 0.596 7.730 1.00 33.33 C ATOM 1515 OD1 ASP A 94 -12.920 -0.174 7.771 1.00 34.34 O ATOM 1516 OD2 ASP A 94 -11.681 1.275 6.714 1.00 14.11 O ATOM 0 H ASP A 94 -8.988 -1.240 10.690 1.00 63.33 H new ATOM 0 HA ASP A 94 -10.295 -1.308 8.909 1.00 65.45 H new ATOM 0 HB2 ASP A 94 -11.636 0.575 9.867 1.00 53.01 H new ATOM 0 HB3 ASP A 94 -10.620 1.721 9.016 1.00 53.01 H new ATOM 1521 N THR A 95 -7.670 0.334 8.066 1.00 44.42 N ATOM 1522 CA THR A 95 -6.658 0.653 7.066 1.00 22.13 C ATOM 1523 C THR A 95 -5.278 0.275 7.641 1.00 51.25 C ATOM 1524 O THR A 95 -4.983 0.586 8.806 1.00 60.10 O ATOM 1525 CB THR A 95 -6.709 2.190 6.728 1.00 53.15 C ATOM 1526 OG1 THR A 95 -8.027 2.556 6.277 1.00 35.23 O ATOM 1527 CG2 THR A 95 -5.681 2.599 5.659 1.00 71.32 C ATOM 0 H THR A 95 -7.350 0.495 9.021 1.00 44.42 H new ATOM 0 HA THR A 95 -6.841 0.096 6.147 1.00 22.13 H new ATOM 0 HB THR A 95 -6.460 2.719 7.648 1.00 53.15 H new ATOM 0 HG1 THR A 95 -8.048 3.514 6.071 1.00 35.23 H new ATOM 0 HG21 THR A 95 -5.762 3.669 5.467 1.00 71.32 H new ATOM 0 HG22 THR A 95 -4.676 2.369 6.014 1.00 71.32 H new ATOM 0 HG23 THR A 95 -5.875 2.049 4.738 1.00 71.32 H new ATOM 1535 N VAL A 96 -4.446 -0.411 6.832 1.00 63.41 N ATOM 1536 CA VAL A 96 -3.060 -0.742 7.196 1.00 1.42 C ATOM 1537 C VAL A 96 -2.141 0.393 6.719 1.00 15.54 C ATOM 1538 O VAL A 96 -2.415 1.014 5.701 1.00 41.23 O ATOM 1539 CB VAL A 96 -2.596 -2.123 6.569 1.00 1.25 C ATOM 1540 CG1 VAL A 96 -3.484 -3.289 7.070 1.00 52.11 C ATOM 1541 CG2 VAL A 96 -2.559 -2.088 5.011 1.00 13.23 C ATOM 0 H VAL A 96 -4.719 -0.749 5.909 1.00 63.41 H new ATOM 0 HA VAL A 96 -3.001 -0.848 8.279 1.00 1.42 H new ATOM 0 HB VAL A 96 -1.575 -2.293 6.909 1.00 1.25 H new ATOM 0 HG11 VAL A 96 -3.143 -4.223 6.624 1.00 52.11 H new ATOM 0 HG12 VAL A 96 -3.415 -3.359 8.156 1.00 52.11 H new ATOM 0 HG13 VAL A 96 -4.520 -3.107 6.783 1.00 52.11 H new ATOM 0 HG21 VAL A 96 -2.235 -3.058 4.633 1.00 13.23 H new ATOM 0 HG22 VAL A 96 -3.555 -1.863 4.628 1.00 13.23 H new ATOM 0 HG23 VAL A 96 -1.861 -1.318 4.681 1.00 13.23 H new ATOM 1551 N THR A 97 -1.084 0.672 7.480 1.00 14.23 N ATOM 1552 CA THR A 97 -0.135 1.757 7.187 1.00 52.33 C ATOM 1553 C THR A 97 1.293 1.202 7.302 1.00 52.34 C ATOM 1554 O THR A 97 1.796 0.980 8.400 1.00 32.32 O ATOM 1555 CB THR A 97 -0.340 2.957 8.181 1.00 12.41 C ATOM 1556 OG1 THR A 97 -1.700 3.430 8.115 1.00 44.14 O ATOM 1557 CG2 THR A 97 0.616 4.127 7.891 1.00 72.30 C ATOM 0 H THR A 97 -0.856 0.150 8.326 1.00 14.23 H new ATOM 0 HA THR A 97 -0.306 2.130 6.177 1.00 52.33 H new ATOM 0 HB THR A 97 -0.119 2.582 9.180 1.00 12.41 H new ATOM 0 HG1 THR A 97 -1.817 4.176 8.739 1.00 44.14 H new ATOM 0 HG21 THR A 97 0.435 4.931 8.605 1.00 72.30 H new ATOM 0 HG22 THR A 97 1.647 3.786 7.983 1.00 72.30 H new ATOM 0 HG23 THR A 97 0.445 4.495 6.879 1.00 72.30 H new ATOM 1565 N VAL A 98 1.920 0.974 6.151 1.00 11.40 N ATOM 1566 CA VAL A 98 3.250 0.365 6.061 1.00 21.12 C ATOM 1567 C VAL A 98 4.323 1.461 6.000 1.00 63.24 C ATOM 1568 O VAL A 98 4.176 2.446 5.261 1.00 33.32 O ATOM 1569 CB VAL A 98 3.310 -0.586 4.812 1.00 4.44 C ATOM 1570 CG1 VAL A 98 4.726 -1.152 4.569 1.00 5.11 C ATOM 1571 CG2 VAL A 98 2.259 -1.719 4.967 1.00 74.31 C ATOM 0 H VAL A 98 1.517 1.208 5.244 1.00 11.40 H new ATOM 0 HA VAL A 98 3.445 -0.237 6.949 1.00 21.12 H new ATOM 0 HB VAL A 98 3.068 0.003 3.927 1.00 4.44 H new ATOM 0 HG11 VAL A 98 4.713 -1.803 3.695 1.00 5.11 H new ATOM 0 HG12 VAL A 98 5.422 -0.331 4.399 1.00 5.11 H new ATOM 0 HG13 VAL A 98 5.044 -1.723 5.441 1.00 5.11 H new ATOM 0 HG21 VAL A 98 2.303 -2.377 4.099 1.00 74.31 H new ATOM 0 HG22 VAL A 98 2.473 -2.293 5.869 1.00 74.31 H new ATOM 0 HG23 VAL A 98 1.263 -1.283 5.042 1.00 74.31 H new ATOM 1581 N GLU A 99 5.395 1.268 6.786 1.00 73.14 N ATOM 1582 CA GLU A 99 6.435 2.278 7.016 1.00 74.42 C ATOM 1583 C GLU A 99 7.828 1.613 7.003 1.00 1.32 C ATOM 1584 O GLU A 99 7.967 0.433 7.367 1.00 10.41 O ATOM 1585 CB GLU A 99 6.187 2.956 8.400 1.00 35.40 C ATOM 1586 CG GLU A 99 7.196 4.068 8.758 1.00 51.53 C ATOM 1587 CD GLU A 99 7.299 4.387 10.259 1.00 44.32 C ATOM 1588 OE1 GLU A 99 7.586 3.468 11.050 1.00 73.52 O ATOM 1589 OE2 GLU A 99 7.132 5.557 10.648 1.00 61.01 O ATOM 0 H GLU A 99 5.564 0.394 7.285 1.00 73.14 H new ATOM 0 HA GLU A 99 6.397 3.028 6.226 1.00 74.42 H new ATOM 0 HB2 GLU A 99 5.182 3.378 8.409 1.00 35.40 H new ATOM 0 HB3 GLU A 99 6.218 2.191 9.176 1.00 35.40 H new ATOM 0 HG2 GLU A 99 8.181 3.776 8.395 1.00 51.53 H new ATOM 0 HG3 GLU A 99 6.917 4.977 8.226 1.00 51.53 H new ATOM 1596 N GLY A 100 8.858 2.386 6.583 1.00 51.33 N ATOM 1597 CA GLY A 100 10.261 2.002 6.763 1.00 32.43 C ATOM 1598 C GLY A 100 10.707 2.083 8.223 1.00 43.13 C ATOM 1599 O GLY A 100 9.957 2.535 9.093 1.00 53.30 O ATOM 0 H GLY A 100 8.732 3.284 6.115 1.00 51.33 H new ATOM 0 HA2 GLY A 100 10.406 0.985 6.398 1.00 32.43 H new ATOM 0 HA3 GLY A 100 10.893 2.651 6.157 1.00 32.43 H new ATOM 1603 N GLN A 101 11.940 1.663 8.502 1.00 70.44 N ATOM 1604 CA GLN A 101 12.438 1.500 9.891 1.00 31.54 C ATOM 1605 C GLN A 101 13.380 2.637 10.329 1.00 0.25 C ATOM 1606 O GLN A 101 14.000 3.308 9.495 1.00 24.13 O ATOM 1607 CB GLN A 101 13.123 0.120 10.030 1.00 63.41 C ATOM 1608 CG GLN A 101 12.200 -1.093 9.739 1.00 71.14 C ATOM 1609 CD GLN A 101 11.063 -1.324 10.744 1.00 74.34 C ATOM 1610 OE1 GLN A 101 10.545 -0.410 11.376 1.00 62.53 O ATOM 1611 NE2 GLN A 101 10.657 -2.562 10.891 1.00 61.35 N ATOM 0 H GLN A 101 12.627 1.425 7.787 1.00 70.44 H new ATOM 0 HA GLN A 101 11.580 1.553 10.561 1.00 31.54 H new ATOM 0 HB2 GLN A 101 13.975 0.082 9.351 1.00 63.41 H new ATOM 0 HB3 GLN A 101 13.517 0.025 11.042 1.00 63.41 H new ATOM 0 HG2 GLN A 101 11.763 -0.964 8.749 1.00 71.14 H new ATOM 0 HG3 GLN A 101 12.815 -1.992 9.702 1.00 71.14 H new ATOM 0 HE21 GLN A 101 11.099 -3.310 10.357 1.00 61.35 H new ATOM 0 HE22 GLN A 101 9.899 -2.777 11.539 1.00 61.35 H new ATOM 1620 N LEU A 102 13.468 2.818 11.659 1.00 71.12 N ATOM 1621 CA LEU A 102 14.324 3.824 12.319 1.00 72.42 C ATOM 1622 C LEU A 102 15.824 3.518 12.104 1.00 23.23 C ATOM 1623 O LEU A 102 16.213 2.348 12.008 1.00 22.33 O ATOM 1624 CB LEU A 102 14.023 3.851 13.851 1.00 0.22 C ATOM 1625 CG LEU A 102 12.559 4.216 14.262 1.00 31.13 C ATOM 1626 CD1 LEU A 102 12.332 4.037 15.782 1.00 62.12 C ATOM 1627 CD2 LEU A 102 12.199 5.649 13.823 1.00 43.41 C ATOM 0 H LEU A 102 12.934 2.256 12.322 1.00 71.12 H new ATOM 0 HA LEU A 102 14.101 4.794 11.874 1.00 72.42 H new ATOM 0 HB2 LEU A 102 14.260 2.870 14.264 1.00 0.22 H new ATOM 0 HB3 LEU A 102 14.699 4.566 14.320 1.00 0.22 H new ATOM 0 HG LEU A 102 11.896 3.523 13.743 1.00 31.13 H new ATOM 0 HD11 LEU A 102 11.304 4.300 16.030 1.00 62.12 H new ATOM 0 HD12 LEU A 102 12.518 2.999 16.058 1.00 62.12 H new ATOM 0 HD13 LEU A 102 13.015 4.686 16.331 1.00 62.12 H new ATOM 0 HD21 LEU A 102 11.175 5.875 14.122 1.00 43.41 H new ATOM 0 HD22 LEU A 102 12.880 6.356 14.296 1.00 43.41 H new ATOM 0 HD23 LEU A 102 12.287 5.730 12.740 1.00 43.41 H new ATOM 1639 N GLU A 103 16.649 4.577 12.026 1.00 41.45 N ATOM 1640 CA GLU A 103 18.116 4.456 12.066 1.00 13.03 C ATOM 1641 C GLU A 103 18.549 4.311 13.541 1.00 63.44 C ATOM 1642 O GLU A 103 18.888 5.294 14.215 1.00 15.41 O ATOM 1643 CB GLU A 103 18.791 5.687 11.383 1.00 34.15 C ATOM 1644 CG GLU A 103 20.342 5.706 11.447 1.00 72.32 C ATOM 1645 CD GLU A 103 20.966 7.006 10.909 1.00 40.24 C ATOM 1646 OE1 GLU A 103 20.687 8.086 11.479 1.00 64.35 O ATOM 1647 OE2 GLU A 103 21.714 6.959 9.907 1.00 35.11 O ATOM 0 H GLU A 103 16.318 5.538 11.934 1.00 41.45 H new ATOM 0 HA GLU A 103 18.437 3.575 11.510 1.00 13.03 H new ATOM 0 HB2 GLU A 103 18.485 5.716 10.337 1.00 34.15 H new ATOM 0 HB3 GLU A 103 18.412 6.596 11.851 1.00 34.15 H new ATOM 0 HG2 GLU A 103 20.656 5.563 12.481 1.00 72.32 H new ATOM 0 HG3 GLU A 103 20.731 4.863 10.876 1.00 72.32 H new ATOM 1654 N GLY A 104 18.430 3.080 14.057 1.00 44.34 N ATOM 1655 CA GLY A 104 18.779 2.767 15.442 1.00 52.11 C ATOM 1656 C GLY A 104 20.133 2.090 15.543 1.00 41.44 C ATOM 1657 O GLY A 104 20.362 1.070 14.885 1.00 70.42 O ATOM 0 H GLY A 104 18.090 2.279 13.525 1.00 44.34 H new ATOM 0 HA2 GLY A 104 18.786 3.684 16.031 1.00 52.11 H new ATOM 0 HA3 GLY A 104 18.015 2.118 15.872 1.00 52.11 H new ATOM 1661 N VAL A 105 21.045 2.667 16.333 1.00 15.04 N ATOM 1662 CA VAL A 105 22.357 2.070 16.617 1.00 13.22 C ATOM 1663 C VAL A 105 22.199 1.014 17.731 1.00 12.40 C ATOM 1664 O VAL A 105 22.297 1.324 18.923 1.00 63.23 O ATOM 1665 CB VAL A 105 23.426 3.172 16.986 1.00 62.13 C ATOM 1666 CG1 VAL A 105 24.813 2.555 17.304 1.00 74.24 C ATOM 1667 CG2 VAL A 105 23.525 4.222 15.848 1.00 43.01 C ATOM 0 H VAL A 105 20.895 3.564 16.795 1.00 15.04 H new ATOM 0 HA VAL A 105 22.732 1.576 15.720 1.00 13.22 H new ATOM 0 HB VAL A 105 23.091 3.672 17.895 1.00 62.13 H new ATOM 0 HG11 VAL A 105 25.516 3.350 17.552 1.00 74.24 H new ATOM 0 HG12 VAL A 105 24.723 1.873 18.150 1.00 74.24 H new ATOM 0 HG13 VAL A 105 25.176 2.008 16.434 1.00 74.24 H new ATOM 0 HG21 VAL A 105 24.265 4.977 16.113 1.00 43.01 H new ATOM 0 HG22 VAL A 105 23.825 3.729 14.923 1.00 43.01 H new ATOM 0 HG23 VAL A 105 22.555 4.698 15.707 1.00 43.01 H new ATOM 1677 N ASP A 106 21.873 -0.221 17.305 1.00 0.24 N ATOM 1678 CA ASP A 106 21.687 -1.382 18.189 1.00 52.10 C ATOM 1679 C ASP A 106 23.045 -1.812 18.803 1.00 33.23 C ATOM 1680 O ASP A 106 23.154 -1.882 20.039 1.00 11.20 O ATOM 1681 CB ASP A 106 21.054 -2.551 17.392 1.00 30.13 C ATOM 1682 CG ASP A 106 20.870 -3.832 18.228 1.00 50.14 C ATOM 1683 OD1 ASP A 106 19.914 -3.894 19.031 1.00 14.42 O ATOM 1684 OD2 ASP A 106 21.674 -4.779 18.085 1.00 55.41 O ATOM 1685 OXT ASP A 106 23.999 -2.035 18.034 1.00 39.49 O ATOM 0 H ASP A 106 21.730 -0.441 16.319 1.00 0.24 H new ATOM 0 HA ASP A 106 21.016 -1.108 19.003 1.00 52.10 H new ATOM 0 HB2 ASP A 106 20.085 -2.235 17.006 1.00 30.13 H new ATOM 0 HB3 ASP A 106 21.682 -2.776 16.530 1.00 30.13 H new TER 1690 ASP A 106