USER MOD reduce.3.24.130724 H: found=0, std=0, add=977, rem=0, adj=30 USER MOD reduce.3.24.130724 removed 970 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 95 HIS : no HE2:sc= 0.664 K(o=1.8,f=-3.8) USER MOD Set 1.2: A 99 LYS NZ :NH3+ 140:sc= 1.18 (180deg=0) USER MOD Set 2.1: A 60 ASN : amide:sc= 0.051 K(o=0.34,f=-0.28) USER MOD Set 2.2: A 72 ASN : amide:sc= 0.288 K(o=0.34,f=-0.58) USER MOD Set 3.1: A 35 ASN : amide:sc= -0.377! C(o=0.86!,f=-7.2!) USER MOD Set 3.2: A 38 LYS NZ :NH3+ -146:sc= 1.23 (180deg=0) USER MOD Set 4.1: A 7 ASN : amide:sc= -0.178 K(o=0.46,f=-0.36) USER MOD Set 4.2: A 11 ASN : amide:sc= 0.642 X(o=0.46,f=0) USER MOD Set 5.1: A 1 SER N :NH3+ 156:sc= 0.536 (180deg=0.434) USER MOD Set 5.2: A 1 SER OG : rot 180:sc= 0.00064 USER MOD Set 5.3: A 86 MET CE :methyl 168:sc= -1.2 (180deg=-1.32) USER MOD Single : A 2 GLN : amide:sc= 0.245 K(o=0.24,f=-1.4!) USER MOD Single : A 5 MET CE :methyl -177:sc= -0.0279 (180deg=-0.0358) USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 9 SER OG : rot 150:sc= 0 USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ 168:sc= 1.25 (180deg=1.1) USER MOD Single : A 21 LYS NZ :NH3+ 135:sc= 0.763 (180deg=-0.268) USER MOD Single : A 23 MET CE :methyl -137:sc= -0.0141 (180deg=-2.32!) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.3) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 41 TYR OH : rot -36:sc= -0.174 USER MOD Single : A 44 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 THR OG1 : rot -69:sc= 0.384 USER MOD Single : A 53 MET CE :methyl -171:sc=-0.00136 (180deg=-0.115) USER MOD Single : A 56 SER OG : rot 78:sc= 1.19 USER MOD Single : A 57 THR OG1 : rot 180:sc= -0.455 USER MOD Single : A 58 LYS NZ :NH3+ -157:sc= 1.25 (180deg=0.99) USER MOD Single : A 61 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 67 ASN : amide:sc= -0.249 K(o=-0.25,f=-1.3) USER MOD Single : A 69 HIS : no HD1:sc= -0.214 K(o=-0.21,f=-1.7) USER MOD Single : A 70 HIS : no HD1:sc= -0.299 X(o=-0.3,f=-0.46) USER MOD Single : A 74 MET CE :methyl -118:sc= -0.153 (180deg=-1.46) USER MOD Single : A 78 LYS NZ :NH3+ 151:sc= -0.0885 (180deg=-1.38) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -2.31 K(o=-2.3,f=-6.4!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 88 GLN : amide:sc= 0.181 X(o=0.18,f=-0.072) USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.95) USER MOD Single : A 100 SER OG : rot 180:sc= 0 USER MOD Single : A 101 THR OG1 : rot -170:sc= -0.0184 USER MOD Single : A 104 ASN : amide:sc= -0.103 X(o=-0.1,f=-0.1) USER MOD Single : A 107 LYS NZ :NH3+ -108:sc= 0.369 (180deg=-0.0215) USER MOD Single : A 111 THR OG1 : rot 86:sc= 1.14 USER MOD Single : A 116 THR OG1 : rot 81:sc= 1.26 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc=-0.00662 (180deg=-0.00662) USER MOD Single : A 123 HIS : no HD1:sc= -0.708 K(o=-0.71,f=-1.9) USER MOD Single : A 124 LYS NZ :NH3+ -145:sc= 1.24 (180deg=0.387) USER MOD Single : A 126 ASN : amide:sc= -0.105 K(o=-0.1,f=-1.5) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 12.935 -8.188 0.828 1.00 0.00 N ATOM 2 CA SER A 1 13.055 -9.154 1.934 1.00 0.00 C ATOM 3 C SER A 1 11.688 -9.454 2.545 1.00 0.00 C ATOM 4 O SER A 1 11.368 -8.873 3.581 1.00 0.00 O ATOM 5 CB SER A 1 14.014 -8.649 3.023 1.00 0.00 C ATOM 6 OG SER A 1 15.285 -8.342 2.492 1.00 0.00 O ATOM 0 H1 SER A 1 13.842 -7.695 0.698 1.00 0.00 H new ATOM 0 H2 SER A 1 12.685 -8.691 -0.047 1.00 0.00 H new ATOM 0 H3 SER A 1 12.193 -7.494 1.052 1.00 0.00 H new ATOM 0 HA SER A 1 13.466 -10.073 1.516 1.00 0.00 H new ATOM 0 HB2 SER A 1 13.593 -7.762 3.497 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.116 -9.407 3.799 1.00 0.00 H new ATOM 0 HG SER A 1 15.871 -8.022 3.210 1.00 0.00 H new ATOM 12 N GLN A 2 10.843 -10.264 1.896 1.00 0.00 N ATOM 13 CA GLN A 2 9.873 -11.184 2.510 1.00 0.00 C ATOM 14 C GLN A 2 9.449 -10.858 3.950 1.00 0.00 C ATOM 15 O GLN A 2 8.349 -10.348 4.139 1.00 0.00 O ATOM 16 CB GLN A 2 10.255 -12.655 2.280 1.00 0.00 C ATOM 17 CG GLN A 2 9.984 -13.061 0.812 1.00 0.00 C ATOM 18 CD GLN A 2 8.995 -14.199 0.584 1.00 0.00 C ATOM 19 OE1 GLN A 2 8.541 -14.893 1.498 1.00 0.00 O ATOM 20 NE2 GLN A 2 8.713 -14.469 -0.677 1.00 0.00 N ATOM 0 H GLN A 2 10.814 -10.299 0.877 1.00 0.00 H new ATOM 0 HA GLN A 2 8.945 -11.009 1.966 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.308 -12.805 2.517 1.00 0.00 H new ATOM 0 HB3 GLN A 2 9.683 -13.295 2.952 1.00 0.00 H new ATOM 0 HG2 GLN A 2 9.620 -12.183 0.278 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.934 -13.340 0.356 1.00 0.00 H new ATOM 0 HE21 GLN A 2 9.096 -13.886 -1.421 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.112 -15.261 -0.907 1.00 0.00 H new ATOM 29 N GLU A 3 10.286 -11.172 4.950 1.00 0.00 N ATOM 30 CA GLU A 3 10.023 -10.940 6.370 1.00 0.00 C ATOM 31 C GLU A 3 9.565 -9.502 6.632 1.00 0.00 C ATOM 32 O GLU A 3 8.421 -9.264 7.025 1.00 0.00 O ATOM 33 CB GLU A 3 11.284 -11.273 7.194 1.00 0.00 C ATOM 34 CG GLU A 3 10.995 -11.323 8.703 1.00 0.00 C ATOM 35 CD GLU A 3 12.237 -11.675 9.530 1.00 0.00 C ATOM 36 OE1 GLU A 3 12.675 -12.846 9.479 1.00 0.00 O ATOM 37 OE2 GLU A 3 12.768 -10.781 10.229 1.00 0.00 O ATOM 0 H GLU A 3 11.193 -11.608 4.783 1.00 0.00 H new ATOM 0 HA GLU A 3 9.210 -11.597 6.679 1.00 0.00 H new ATOM 0 HB2 GLU A 3 11.684 -12.234 6.870 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.052 -10.525 6.997 1.00 0.00 H new ATOM 0 HG2 GLU A 3 10.609 -10.357 9.027 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.214 -12.059 8.895 1.00 0.00 H new ATOM 44 N VAL A 4 10.476 -8.548 6.462 1.00 0.00 N ATOM 45 CA VAL A 4 10.258 -7.149 6.790 1.00 0.00 C ATOM 46 C VAL A 4 9.289 -6.504 5.814 1.00 0.00 C ATOM 47 O VAL A 4 8.490 -5.654 6.191 1.00 0.00 O ATOM 48 CB VAL A 4 11.607 -6.434 6.863 1.00 0.00 C ATOM 49 CG1 VAL A 4 12.482 -6.517 5.622 1.00 0.00 C ATOM 50 CG2 VAL A 4 11.441 -4.972 7.279 1.00 0.00 C ATOM 0 H VAL A 4 11.405 -8.734 6.084 1.00 0.00 H new ATOM 0 HA VAL A 4 9.787 -7.065 7.769 1.00 0.00 H new ATOM 0 HB VAL A 4 12.144 -6.995 7.628 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.411 -5.973 5.794 1.00 0.00 H new ATOM 0 HG12 VAL A 4 12.708 -7.561 5.405 1.00 0.00 H new ATOM 0 HG13 VAL A 4 11.955 -6.077 4.775 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.419 -4.492 7.321 1.00 0.00 H new ATOM 0 HG22 VAL A 4 10.815 -4.456 6.552 1.00 0.00 H new ATOM 0 HG23 VAL A 4 10.971 -4.924 8.261 1.00 0.00 H new ATOM 60 N MET A 5 9.333 -6.950 4.569 1.00 0.00 N ATOM 61 CA MET A 5 8.433 -6.510 3.525 1.00 0.00 C ATOM 62 C MET A 5 6.978 -6.805 3.904 1.00 0.00 C ATOM 63 O MET A 5 6.144 -5.896 3.889 1.00 0.00 O ATOM 64 CB MET A 5 8.881 -7.141 2.202 1.00 0.00 C ATOM 65 CG MET A 5 8.422 -6.325 1.014 1.00 0.00 C ATOM 66 SD MET A 5 6.709 -6.676 0.587 1.00 0.00 S ATOM 67 CE MET A 5 6.093 -4.999 0.696 1.00 0.00 C ATOM 0 H MET A 5 10.012 -7.643 4.253 1.00 0.00 H new ATOM 0 HA MET A 5 8.475 -5.428 3.399 1.00 0.00 H new ATOM 0 HB2 MET A 5 9.968 -7.226 2.188 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.481 -8.152 2.126 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.531 -5.264 1.237 1.00 0.00 H new ATOM 0 HG3 MET A 5 9.062 -6.538 0.157 1.00 0.00 H new ATOM 0 HE1 MET A 5 5.018 -4.994 0.517 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.297 -4.600 1.690 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.589 -4.380 -0.052 1.00 0.00 H new ATOM 77 N LYS A 6 6.662 -8.038 4.316 1.00 0.00 N ATOM 78 CA LYS A 6 5.319 -8.371 4.784 1.00 0.00 C ATOM 79 C LYS A 6 4.970 -7.516 5.984 1.00 0.00 C ATOM 80 O LYS A 6 3.872 -6.973 6.017 1.00 0.00 O ATOM 81 CB LYS A 6 5.207 -9.854 5.147 1.00 0.00 C ATOM 82 CG LYS A 6 3.735 -10.285 5.269 1.00 0.00 C ATOM 83 CD LYS A 6 3.531 -11.715 5.771 1.00 0.00 C ATOM 84 CE LYS A 6 4.446 -12.692 5.032 1.00 0.00 C ATOM 85 NZ LYS A 6 4.273 -14.074 5.498 1.00 0.00 N ATOM 0 H LYS A 6 7.319 -8.818 4.333 1.00 0.00 H new ATOM 0 HA LYS A 6 4.617 -8.170 3.975 1.00 0.00 H new ATOM 0 HB2 LYS A 6 5.704 -10.456 4.386 1.00 0.00 H new ATOM 0 HB3 LYS A 6 5.723 -10.041 6.089 1.00 0.00 H new ATOM 0 HG2 LYS A 6 3.224 -9.600 5.946 1.00 0.00 H new ATOM 0 HG3 LYS A 6 3.258 -10.185 4.294 1.00 0.00 H new ATOM 0 HD2 LYS A 6 3.733 -11.761 6.841 1.00 0.00 H new ATOM 0 HD3 LYS A 6 2.491 -12.008 5.630 1.00 0.00 H new ATOM 0 HE2 LYS A 6 4.240 -12.642 3.963 1.00 0.00 H new ATOM 0 HE3 LYS A 6 5.484 -12.391 5.171 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 4.913 -14.701 4.970 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 4.495 -14.129 6.513 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.289 -14.372 5.342 1.00 0.00 H new ATOM 99 N ASN A 7 5.894 -7.398 6.938 1.00 0.00 N ATOM 100 CA ASN A 7 5.716 -6.648 8.173 1.00 0.00 C ATOM 101 C ASN A 7 5.373 -5.181 7.906 1.00 0.00 C ATOM 102 O ASN A 7 4.521 -4.598 8.576 1.00 0.00 O ATOM 103 CB ASN A 7 7.008 -6.745 8.986 1.00 0.00 C ATOM 104 CG ASN A 7 6.895 -5.976 10.283 1.00 0.00 C ATOM 105 OD1 ASN A 7 5.964 -6.188 11.046 1.00 0.00 O ATOM 106 ND2 ASN A 7 7.811 -5.057 10.536 1.00 0.00 N ATOM 0 H ASN A 7 6.812 -7.836 6.867 1.00 0.00 H new ATOM 0 HA ASN A 7 4.880 -7.076 8.726 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.230 -7.791 9.198 1.00 0.00 H new ATOM 0 HB3 ASN A 7 7.840 -6.355 8.400 1.00 0.00 H new ATOM 0 HD21 ASN A 7 7.753 -4.500 11.389 1.00 0.00 H new ATOM 0 HD22 ASN A 7 8.576 -4.905 9.878 1.00 0.00 H new ATOM 113 N LEU A 8 6.025 -4.564 6.923 1.00 0.00 N ATOM 114 CA LEU A 8 5.745 -3.210 6.465 1.00 0.00 C ATOM 115 C LEU A 8 4.371 -3.157 5.819 1.00 0.00 C ATOM 116 O LEU A 8 3.559 -2.296 6.151 1.00 0.00 O ATOM 117 CB LEU A 8 6.826 -2.776 5.463 1.00 0.00 C ATOM 118 CG LEU A 8 7.984 -2.078 6.181 1.00 0.00 C ATOM 119 CD1 LEU A 8 9.265 -2.075 5.352 1.00 0.00 C ATOM 120 CD2 LEU A 8 7.606 -0.632 6.512 1.00 0.00 C ATOM 0 H LEU A 8 6.786 -5.008 6.409 1.00 0.00 H new ATOM 0 HA LEU A 8 5.755 -2.528 7.315 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.199 -3.647 4.923 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.393 -2.103 4.723 1.00 0.00 H new ATOM 0 HG LEU A 8 8.172 -2.641 7.095 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.056 -1.568 5.906 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.567 -3.102 5.146 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.089 -1.553 4.412 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.438 -0.146 7.022 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.382 -0.094 5.591 1.00 0.00 H new ATOM 0 HD23 LEU A 8 6.729 -0.624 7.159 1.00 0.00 H new ATOM 132 N SER A 9 4.085 -4.098 4.926 1.00 0.00 N ATOM 133 CA SER A 9 2.793 -4.305 4.286 1.00 0.00 C ATOM 134 C SER A 9 1.759 -4.909 5.264 1.00 0.00 C ATOM 135 O SER A 9 0.775 -5.503 4.829 1.00 0.00 O ATOM 136 CB SER A 9 3.055 -5.164 3.038 1.00 0.00 C ATOM 137 OG SER A 9 2.067 -5.001 2.039 1.00 0.00 O ATOM 0 H SER A 9 4.785 -4.771 4.614 1.00 0.00 H new ATOM 0 HA SER A 9 2.339 -3.362 3.982 1.00 0.00 H new ATOM 0 HB2 SER A 9 4.029 -4.906 2.623 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.101 -6.214 3.329 1.00 0.00 H new ATOM 0 HG SER A 9 2.468 -5.142 1.156 1.00 0.00 H new ATOM 143 N LEU A 10 1.959 -4.807 6.583 1.00 0.00 N ATOM 144 CA LEU A 10 1.080 -5.331 7.631 1.00 0.00 C ATOM 145 C LEU A 10 0.790 -4.216 8.623 1.00 0.00 C ATOM 146 O LEU A 10 -0.363 -3.894 8.920 1.00 0.00 O ATOM 147 CB LEU A 10 1.747 -6.536 8.319 1.00 0.00 C ATOM 148 CG LEU A 10 0.886 -7.174 9.423 1.00 0.00 C ATOM 149 CD1 LEU A 10 0.007 -8.272 8.818 1.00 0.00 C ATOM 150 CD2 LEU A 10 1.790 -7.735 10.523 1.00 0.00 C ATOM 0 H LEU A 10 2.778 -4.334 6.965 1.00 0.00 H new ATOM 0 HA LEU A 10 0.139 -5.675 7.202 1.00 0.00 H new ATOM 0 HB2 LEU A 10 1.976 -7.291 7.567 1.00 0.00 H new ATOM 0 HB3 LEU A 10 2.696 -6.217 8.750 1.00 0.00 H new ATOM 0 HG LEU A 10 0.236 -6.420 9.867 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.602 -8.723 9.601 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.642 -7.840 8.057 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.639 -9.036 8.365 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.177 -8.186 11.303 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.452 -8.490 10.100 1.00 0.00 H new ATOM 0 HD23 LEU A 10 2.386 -6.929 10.951 1.00 0.00 H new ATOM 162 N ASN A 11 1.865 -3.589 9.097 1.00 0.00 N ATOM 163 CA ASN A 11 1.830 -2.426 9.973 1.00 0.00 C ATOM 164 C ASN A 11 1.133 -1.235 9.327 1.00 0.00 C ATOM 165 O ASN A 11 0.588 -0.383 10.027 1.00 0.00 O ATOM 166 CB ASN A 11 3.252 -2.027 10.343 1.00 0.00 C ATOM 167 CG ASN A 11 3.699 -2.784 11.577 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.458 -2.355 12.699 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.273 -3.954 11.399 1.00 0.00 N ATOM 0 H ASN A 11 2.814 -3.889 8.873 1.00 0.00 H new ATOM 0 HA ASN A 11 1.262 -2.704 10.861 1.00 0.00 H new ATOM 0 HB2 ASN A 11 3.926 -2.239 9.513 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.301 -0.954 10.527 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.527 -4.525 12.205 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.464 -4.290 10.455 1.00 0.00 H new ATOM 176 N PHE A 12 1.165 -1.180 7.995 1.00 0.00 N ATOM 177 CA PHE A 12 0.411 -0.268 7.155 1.00 0.00 C ATOM 178 C PHE A 12 -1.075 -0.389 7.523 1.00 0.00 C ATOM 179 O PHE A 12 -1.646 0.532 8.100 1.00 0.00 O ATOM 180 CB PHE A 12 0.764 -0.622 5.701 1.00 0.00 C ATOM 181 CG PHE A 12 0.195 0.225 4.577 1.00 0.00 C ATOM 182 CD1 PHE A 12 -1.189 0.281 4.337 1.00 0.00 C ATOM 183 CD2 PHE A 12 1.069 0.908 3.706 1.00 0.00 C ATOM 184 CE1 PHE A 12 -1.688 0.992 3.240 1.00 0.00 C ATOM 185 CE2 PHE A 12 0.567 1.613 2.595 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.817 1.660 2.363 1.00 0.00 C ATOM 0 H PHE A 12 1.753 -1.809 7.449 1.00 0.00 H new ATOM 0 HA PHE A 12 0.656 0.784 7.298 1.00 0.00 H new ATOM 0 HB2 PHE A 12 1.850 -0.600 5.612 1.00 0.00 H new ATOM 0 HB3 PHE A 12 0.451 -1.652 5.528 1.00 0.00 H new ATOM 0 HD1 PHE A 12 -1.871 -0.227 5.003 1.00 0.00 H new ATOM 0 HD2 PHE A 12 2.133 0.890 3.893 1.00 0.00 H new ATOM 0 HE1 PHE A 12 -2.753 1.028 3.066 1.00 0.00 H new ATOM 0 HE2 PHE A 12 1.246 2.117 1.922 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.209 2.205 1.517 1.00 0.00 H new ATOM 196 N GLY A 13 -1.702 -1.542 7.281 1.00 0.00 N ATOM 197 CA GLY A 13 -3.104 -1.789 7.587 1.00 0.00 C ATOM 198 C GLY A 13 -3.348 -2.157 9.055 1.00 0.00 C ATOM 199 O GLY A 13 -4.210 -2.995 9.321 1.00 0.00 O ATOM 0 H GLY A 13 -1.235 -2.344 6.858 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -3.685 -0.900 7.341 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -3.471 -2.595 6.952 1.00 0.00 H new ATOM 203 N LYS A 14 -2.615 -1.573 10.016 1.00 0.00 N ATOM 204 CA LYS A 14 -2.929 -1.695 11.446 1.00 0.00 C ATOM 205 C LYS A 14 -4.252 -0.992 11.737 1.00 0.00 C ATOM 206 O LYS A 14 -5.225 -1.669 12.061 1.00 0.00 O ATOM 207 CB LYS A 14 -1.790 -1.135 12.314 1.00 0.00 C ATOM 208 CG LYS A 14 -0.626 -2.110 12.521 1.00 0.00 C ATOM 209 CD LYS A 14 -0.658 -2.844 13.864 1.00 0.00 C ATOM 210 CE LYS A 14 -1.504 -4.123 13.802 1.00 0.00 C ATOM 211 NZ LYS A 14 -1.391 -4.937 15.030 1.00 0.00 N ATOM 0 H LYS A 14 -1.790 -1.005 9.823 1.00 0.00 H new ATOM 0 HA LYS A 14 -3.031 -2.750 11.700 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.409 -0.224 11.852 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.193 -0.855 13.287 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.635 -2.846 11.717 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.312 -1.561 12.441 1.00 0.00 H new ATOM 0 HD2 LYS A 14 0.359 -3.097 14.163 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.060 -2.181 14.630 1.00 0.00 H new ATOM 0 HE2 LYS A 14 -2.549 -3.856 13.642 1.00 0.00 H new ATOM 0 HE3 LYS A 14 -1.192 -4.720 12.945 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 -1.981 -5.789 14.937 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 -0.399 -5.216 15.171 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 -1.713 -4.380 15.847 1.00 0.00 H new ATOM 225 N ALA A 15 -4.324 0.328 11.523 1.00 0.00 N ATOM 226 CA ALA A 15 -5.519 1.160 11.706 1.00 0.00 C ATOM 227 C ALA A 15 -6.621 0.888 10.658 1.00 0.00 C ATOM 228 O ALA A 15 -7.440 1.763 10.379 1.00 0.00 O ATOM 229 CB ALA A 15 -5.083 2.631 11.698 1.00 0.00 C ATOM 0 H ALA A 15 -3.518 0.867 11.205 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.975 0.905 12.663 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.956 3.270 11.833 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.377 2.806 12.510 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.606 2.864 10.746 1.00 0.00 H new ATOM 235 N LEU A 16 -6.630 -0.288 10.022 1.00 0.00 N ATOM 236 CA LEU A 16 -7.568 -0.637 8.965 1.00 0.00 C ATOM 237 C LEU A 16 -8.992 -0.622 9.493 1.00 0.00 C ATOM 238 O LEU A 16 -9.833 0.004 8.869 1.00 0.00 O ATOM 239 CB LEU A 16 -7.203 -2.008 8.376 1.00 0.00 C ATOM 240 CG LEU A 16 -8.200 -2.516 7.318 1.00 0.00 C ATOM 241 CD1 LEU A 16 -8.155 -1.660 6.051 1.00 0.00 C ATOM 242 CD2 LEU A 16 -7.915 -3.981 6.990 1.00 0.00 C ATOM 0 H LEU A 16 -5.969 -1.035 10.236 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.504 0.105 8.169 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.211 -1.948 7.928 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.144 -2.736 9.185 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.205 -2.435 7.732 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.871 -2.046 5.325 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -8.410 -0.630 6.299 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -7.152 -1.693 5.625 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.625 -4.331 6.241 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -6.901 -4.076 6.601 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.015 -4.582 7.894 1.00 0.00 H new ATOM 254 N ASP A 17 -9.278 -1.286 10.612 1.00 0.00 N ATOM 255 CA ASP A 17 -10.623 -1.363 11.192 1.00 0.00 C ATOM 256 C ASP A 17 -11.196 0.004 11.515 1.00 0.00 C ATOM 257 O ASP A 17 -12.393 0.248 11.374 1.00 0.00 O ATOM 258 CB ASP A 17 -10.526 -2.079 12.537 1.00 0.00 C ATOM 259 CG ASP A 17 -11.906 -2.238 13.166 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.704 -3.027 12.622 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.212 -1.596 14.198 1.00 0.00 O ATOM 0 H ASP A 17 -8.575 -1.793 11.150 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.253 -1.870 10.462 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.068 -3.059 12.400 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -9.878 -1.515 13.208 1.00 0.00 H new ATOM 266 N GLU A 18 -10.304 0.885 11.948 1.00 0.00 N ATOM 267 CA GLU A 18 -10.627 2.281 12.178 1.00 0.00 C ATOM 268 C GLU A 18 -11.130 2.840 10.857 1.00 0.00 C ATOM 269 O GLU A 18 -12.331 3.061 10.726 1.00 0.00 O ATOM 270 CB GLU A 18 -9.462 3.077 12.786 1.00 0.00 C ATOM 271 CG GLU A 18 -8.926 2.394 14.049 1.00 0.00 C ATOM 272 CD GLU A 18 -8.409 3.397 15.076 1.00 0.00 C ATOM 273 OE1 GLU A 18 -9.227 4.021 15.792 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.170 3.542 15.184 1.00 0.00 O ATOM 0 H GLU A 18 -9.333 0.647 12.150 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.406 2.372 12.935 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.661 3.172 12.053 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.795 4.086 13.028 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.717 1.793 14.498 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.122 1.710 13.776 1.00 0.00 H new ATOM 281 N CYS A 19 -10.259 2.937 9.847 1.00 0.00 N ATOM 282 CA CYS A 19 -10.616 3.431 8.522 1.00 0.00 C ATOM 283 C CYS A 19 -11.894 2.757 7.979 1.00 0.00 C ATOM 284 O CYS A 19 -12.784 3.434 7.475 1.00 0.00 O ATOM 285 CB CYS A 19 -9.427 3.221 7.567 1.00 0.00 C ATOM 286 SG CYS A 19 -8.001 4.303 7.843 1.00 0.00 S ATOM 0 H CYS A 19 -9.278 2.671 9.932 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.837 4.496 8.596 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -9.096 2.186 7.650 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.776 3.363 6.544 1.00 0.00 H new ATOM 291 N LYS A 20 -12.046 1.437 8.134 1.00 0.00 N ATOM 292 CA LYS A 20 -13.209 0.670 7.740 1.00 0.00 C ATOM 293 C LYS A 20 -14.480 1.283 8.293 1.00 0.00 C ATOM 294 O LYS A 20 -15.412 1.522 7.533 1.00 0.00 O ATOM 295 CB LYS A 20 -13.057 -0.770 8.240 1.00 0.00 C ATOM 296 CG LYS A 20 -12.151 -1.633 7.363 1.00 0.00 C ATOM 297 CD LYS A 20 -11.884 -3.065 7.827 1.00 0.00 C ATOM 298 CE LYS A 20 -13.169 -3.794 8.201 1.00 0.00 C ATOM 299 NZ LYS A 20 -14.157 -3.933 7.112 1.00 0.00 N ATOM 0 H LYS A 20 -11.322 0.858 8.558 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.281 0.677 6.652 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.657 -0.753 9.254 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.043 -1.232 8.294 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.590 -1.678 6.366 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.191 -1.125 7.267 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.374 -3.613 7.035 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.214 -3.048 8.686 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -12.910 -4.789 8.563 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.639 -3.265 9.030 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -14.895 -4.608 7.397 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -14.590 -3.008 6.916 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -13.682 -4.281 6.255 1.00 0.00 H new ATOM 313 N LYS A 21 -14.555 1.491 9.603 1.00 0.00 N ATOM 314 CA LYS A 21 -15.781 1.980 10.223 1.00 0.00 C ATOM 315 C LYS A 21 -15.890 3.498 10.097 1.00 0.00 C ATOM 316 O LYS A 21 -16.991 4.031 10.171 1.00 0.00 O ATOM 317 CB LYS A 21 -15.839 1.478 11.658 1.00 0.00 C ATOM 318 CG LYS A 21 -16.102 -0.044 11.635 1.00 0.00 C ATOM 319 CD LYS A 21 -15.464 -0.684 12.854 1.00 0.00 C ATOM 320 CE LYS A 21 -15.633 -2.205 12.882 1.00 0.00 C ATOM 321 NZ LYS A 21 -15.028 -2.783 14.099 1.00 0.00 N ATOM 0 H LYS A 21 -13.786 1.330 10.253 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.655 1.587 9.703 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -14.902 1.693 12.172 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -16.629 1.991 12.207 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -17.174 -0.239 11.628 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -15.692 -0.481 10.725 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -14.402 -0.441 12.872 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.904 -0.257 13.755 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -16.693 -2.457 12.843 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -15.169 -2.642 11.998 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -15.680 -3.479 14.514 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -14.132 -3.251 13.853 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -14.845 -2.026 14.789 1.00 0.00 H new ATOM 335 N GLU A 22 -14.783 4.194 9.854 1.00 0.00 N ATOM 336 CA GLU A 22 -14.760 5.622 9.573 1.00 0.00 C ATOM 337 C GLU A 22 -15.323 5.968 8.194 1.00 0.00 C ATOM 338 O GLU A 22 -15.780 7.090 7.984 1.00 0.00 O ATOM 339 CB GLU A 22 -13.313 6.120 9.669 1.00 0.00 C ATOM 340 CG GLU A 22 -12.855 6.213 11.132 1.00 0.00 C ATOM 341 CD GLU A 22 -11.834 7.303 11.420 1.00 0.00 C ATOM 342 OE1 GLU A 22 -12.198 8.494 11.283 1.00 0.00 O ATOM 343 OE2 GLU A 22 -10.741 6.983 11.937 1.00 0.00 O ATOM 0 H GLU A 22 -13.856 3.768 9.847 1.00 0.00 H new ATOM 0 HA GLU A 22 -15.398 6.112 10.309 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -12.656 5.444 9.121 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -13.230 7.099 9.196 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -13.730 6.381 11.760 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -12.431 5.253 11.426 1.00 0.00 H new ATOM 350 N MET A 23 -15.230 5.045 7.238 1.00 0.00 N ATOM 351 CA MET A 23 -15.551 5.281 5.834 1.00 0.00 C ATOM 352 C MET A 23 -16.707 4.396 5.346 1.00 0.00 C ATOM 353 O MET A 23 -17.301 4.697 4.312 1.00 0.00 O ATOM 354 CB MET A 23 -14.285 5.016 5.006 1.00 0.00 C ATOM 355 CG MET A 23 -13.041 5.808 5.448 1.00 0.00 C ATOM 356 SD MET A 23 -11.471 5.013 5.029 1.00 0.00 S ATOM 357 CE MET A 23 -11.433 5.219 3.238 1.00 0.00 C ATOM 0 H MET A 23 -14.922 4.091 7.424 1.00 0.00 H new ATOM 0 HA MET A 23 -15.881 6.313 5.715 1.00 0.00 H new ATOM 0 HB2 MET A 23 -14.055 3.952 5.052 1.00 0.00 H new ATOM 0 HB3 MET A 23 -14.495 5.252 3.963 1.00 0.00 H new ATOM 0 HG2 MET A 23 -13.070 6.796 4.988 1.00 0.00 H new ATOM 0 HG3 MET A 23 -13.083 5.958 6.527 1.00 0.00 H new ATOM 0 HE1 MET A 23 -11.094 4.293 2.772 1.00 0.00 H new ATOM 0 HE2 MET A 23 -12.433 5.461 2.878 1.00 0.00 H new ATOM 0 HE3 MET A 23 -10.749 6.027 2.979 1.00 0.00 H new ATOM 367 N THR A 24 -17.081 3.347 6.089 1.00 0.00 N ATOM 368 CA THR A 24 -17.774 2.157 5.594 1.00 0.00 C ATOM 369 C THR A 24 -16.948 1.500 4.487 1.00 0.00 C ATOM 370 O THR A 24 -17.171 1.759 3.301 1.00 0.00 O ATOM 371 CB THR A 24 -19.213 2.460 5.135 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.996 3.013 6.177 1.00 0.00 O ATOM 373 CG2 THR A 24 -19.931 1.169 4.713 1.00 0.00 C ATOM 0 H THR A 24 -16.900 3.305 7.092 1.00 0.00 H new ATOM 0 HA THR A 24 -17.870 1.454 6.422 1.00 0.00 H new ATOM 0 HB THR A 24 -19.119 3.164 4.308 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.901 3.193 5.846 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.946 1.405 4.392 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.389 0.704 3.889 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.968 0.481 5.557 1.00 0.00 H new ATOM 381 N LEU A 25 -16.034 0.608 4.880 1.00 0.00 N ATOM 382 CA LEU A 25 -15.344 -0.302 3.971 1.00 0.00 C ATOM 383 C LEU A 25 -15.665 -1.730 4.392 1.00 0.00 C ATOM 384 O LEU A 25 -15.688 -2.041 5.589 1.00 0.00 O ATOM 385 CB LEU A 25 -13.826 -0.104 3.999 1.00 0.00 C ATOM 386 CG LEU A 25 -13.314 1.341 3.951 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.785 1.321 4.021 1.00 0.00 C ATOM 388 CD2 LEU A 25 -13.755 2.089 2.690 1.00 0.00 C ATOM 0 H LEU A 25 -15.751 0.499 5.854 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.685 -0.097 2.956 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.440 -0.571 4.905 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.398 -0.644 3.155 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.743 1.872 4.801 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.406 2.342 3.988 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.469 0.847 4.950 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.389 0.759 3.175 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.362 3.105 2.714 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.374 1.573 1.809 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.844 2.122 2.648 1.00 0.00 H new ATOM 400 N THR A 26 -15.888 -2.594 3.408 1.00 0.00 N ATOM 401 CA THR A 26 -16.389 -3.947 3.583 1.00 0.00 C ATOM 402 C THR A 26 -15.370 -4.831 4.301 1.00 0.00 C ATOM 403 O THR A 26 -14.188 -4.496 4.414 1.00 0.00 O ATOM 404 CB THR A 26 -16.774 -4.495 2.196 1.00 0.00 C ATOM 405 OG1 THR A 26 -15.674 -4.461 1.310 1.00 0.00 O ATOM 406 CG2 THR A 26 -17.870 -3.627 1.576 1.00 0.00 C ATOM 0 H THR A 26 -15.717 -2.359 2.430 1.00 0.00 H new ATOM 0 HA THR A 26 -17.272 -3.943 4.222 1.00 0.00 H new ATOM 0 HB THR A 26 -17.112 -5.521 2.339 1.00 0.00 H new ATOM 0 HG1 THR A 26 -15.945 -4.816 0.438 1.00 0.00 H new ATOM 0 HG21 THR A 26 -18.136 -4.022 0.595 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.749 -3.635 2.221 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.508 -2.605 1.469 1.00 0.00 H new ATOM 414 N ASP A 27 -15.813 -5.980 4.810 1.00 0.00 N ATOM 415 CA ASP A 27 -14.919 -6.987 5.370 1.00 0.00 C ATOM 416 C ASP A 27 -14.043 -7.608 4.284 1.00 0.00 C ATOM 417 O ASP A 27 -12.966 -8.100 4.595 1.00 0.00 O ATOM 418 CB ASP A 27 -15.726 -8.062 6.103 1.00 0.00 C ATOM 419 CG ASP A 27 -15.918 -9.329 5.266 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.660 -9.263 4.267 1.00 0.00 O ATOM 421 OD2 ASP A 27 -15.354 -10.391 5.619 1.00 0.00 O ATOM 0 H ASP A 27 -16.800 -6.237 4.845 1.00 0.00 H new ATOM 0 HA ASP A 27 -14.259 -6.500 6.088 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -15.220 -8.319 7.033 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.702 -7.658 6.372 1.00 0.00 H new ATOM 426 N ALA A 28 -14.469 -7.544 3.019 1.00 0.00 N ATOM 427 CA ALA A 28 -13.762 -8.168 1.917 1.00 0.00 C ATOM 428 C ALA A 28 -12.341 -7.617 1.747 1.00 0.00 C ATOM 429 O ALA A 28 -11.491 -8.305 1.191 1.00 0.00 O ATOM 430 CB ALA A 28 -14.568 -7.985 0.627 1.00 0.00 C ATOM 0 H ALA A 28 -15.318 -7.054 2.738 1.00 0.00 H new ATOM 0 HA ALA A 28 -13.660 -9.230 2.142 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.038 -8.453 -0.203 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -15.547 -8.450 0.741 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -14.693 -6.921 0.424 1.00 0.00 H new ATOM 436 N ILE A 29 -12.057 -6.404 2.233 1.00 0.00 N ATOM 437 CA ILE A 29 -10.695 -5.891 2.198 1.00 0.00 C ATOM 438 C ILE A 29 -9.795 -6.591 3.215 1.00 0.00 C ATOM 439 O ILE A 29 -8.597 -6.635 2.977 1.00 0.00 O ATOM 440 CB ILE A 29 -10.649 -4.366 2.378 1.00 0.00 C ATOM 441 CG1 ILE A 29 -10.895 -3.955 3.841 1.00 0.00 C ATOM 442 CG2 ILE A 29 -11.575 -3.681 1.356 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.272 -2.490 3.998 1.00 0.00 C ATOM 0 H ILE A 29 -12.743 -5.773 2.647 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.305 -6.115 1.205 1.00 0.00 H new ATOM 0 HB ILE A 29 -9.642 -4.009 2.162 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -11.690 -4.574 4.257 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -9.996 -4.156 4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.533 -2.601 1.494 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.250 -3.930 0.346 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -12.598 -4.026 1.503 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.431 -2.266 5.053 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.468 -1.864 3.612 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.188 -2.288 3.442 1.00 0.00 H new ATOM 455 N ASN A 30 -10.322 -7.137 4.321 1.00 0.00 N ATOM 456 CA ASN A 30 -9.540 -7.936 5.244 1.00 0.00 C ATOM 457 C ASN A 30 -9.008 -9.123 4.473 1.00 0.00 C ATOM 458 O ASN A 30 -7.830 -9.422 4.570 1.00 0.00 O ATOM 459 CB ASN A 30 -10.386 -8.494 6.383 1.00 0.00 C ATOM 460 CG ASN A 30 -10.899 -7.461 7.356 1.00 0.00 C ATOM 461 OD1 ASN A 30 -10.226 -6.490 7.698 1.00 0.00 O ATOM 462 ND2 ASN A 30 -12.097 -7.674 7.851 1.00 0.00 N ATOM 0 H ASN A 30 -11.300 -7.031 4.590 1.00 0.00 H new ATOM 0 HA ASN A 30 -8.758 -7.304 5.665 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.237 -9.026 5.958 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -9.794 -9.227 6.931 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -12.489 -7.027 8.535 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -12.636 -8.487 7.551 1.00 0.00 H new ATOM 469 N GLU A 31 -9.882 -9.788 3.713 1.00 0.00 N ATOM 470 CA GLU A 31 -9.541 -10.901 2.852 1.00 0.00 C ATOM 471 C GLU A 31 -8.501 -10.475 1.819 1.00 0.00 C ATOM 472 O GLU A 31 -7.545 -11.215 1.598 1.00 0.00 O ATOM 473 CB GLU A 31 -10.837 -11.444 2.230 1.00 0.00 C ATOM 474 CG GLU A 31 -10.628 -12.159 0.892 1.00 0.00 C ATOM 475 CD GLU A 31 -11.794 -13.079 0.577 1.00 0.00 C ATOM 476 OE1 GLU A 31 -11.982 -14.066 1.326 1.00 0.00 O ATOM 477 OE2 GLU A 31 -12.525 -12.817 -0.401 1.00 0.00 O ATOM 0 H GLU A 31 -10.874 -9.552 3.686 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.078 -11.709 3.419 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.304 -12.135 2.932 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -11.533 -10.618 2.085 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -10.516 -11.423 0.096 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -9.704 -12.736 0.925 1.00 0.00 H new ATOM 484 N ASP A 32 -8.671 -9.304 1.204 1.00 0.00 N ATOM 485 CA ASP A 32 -7.734 -8.792 0.215 1.00 0.00 C ATOM 486 C ASP A 32 -6.357 -8.605 0.847 1.00 0.00 C ATOM 487 O ASP A 32 -5.401 -9.239 0.412 1.00 0.00 O ATOM 488 CB ASP A 32 -8.267 -7.499 -0.414 1.00 0.00 C ATOM 489 CG ASP A 32 -7.492 -7.106 -1.639 1.00 0.00 C ATOM 490 OD1 ASP A 32 -6.366 -6.582 -1.491 1.00 0.00 O ATOM 491 OD2 ASP A 32 -8.061 -7.323 -2.730 1.00 0.00 O ATOM 0 H ASP A 32 -9.464 -8.687 1.381 1.00 0.00 H new ATOM 0 HA ASP A 32 -7.628 -9.517 -0.592 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.317 -7.630 -0.676 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -8.219 -6.693 0.319 1.00 0.00 H new ATOM 496 N PHE A 33 -6.253 -7.804 1.908 1.00 0.00 N ATOM 497 CA PHE A 33 -5.027 -7.551 2.660 1.00 0.00 C ATOM 498 C PHE A 33 -4.407 -8.847 3.190 1.00 0.00 C ATOM 499 O PHE A 33 -3.193 -9.028 3.076 1.00 0.00 O ATOM 500 CB PHE A 33 -5.365 -6.579 3.817 1.00 0.00 C ATOM 501 CG PHE A 33 -5.446 -5.108 3.429 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.336 -4.456 2.857 1.00 0.00 C ATOM 503 CD2 PHE A 33 -6.637 -4.380 3.621 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.443 -3.120 2.425 1.00 0.00 C ATOM 505 CE2 PHE A 33 -6.755 -3.057 3.163 1.00 0.00 C ATOM 506 CZ PHE A 33 -5.658 -2.426 2.560 1.00 0.00 C ATOM 0 H PHE A 33 -7.054 -7.294 2.281 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.283 -7.104 2.001 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.319 -6.876 4.252 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.611 -6.691 4.596 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.399 -4.983 2.749 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.470 -4.845 4.127 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -3.588 -2.626 1.988 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -7.689 -2.527 3.275 1.00 0.00 H new ATOM 0 HZ PHE A 33 -5.746 -1.411 2.201 1.00 0.00 H new ATOM 516 N TYR A 34 -5.200 -9.747 3.765 1.00 0.00 N ATOM 517 CA TYR A 34 -4.754 -11.014 4.320 1.00 0.00 C ATOM 518 C TYR A 34 -4.143 -11.883 3.228 1.00 0.00 C ATOM 519 O TYR A 34 -3.045 -12.414 3.406 1.00 0.00 O ATOM 520 CB TYR A 34 -5.965 -11.704 4.957 1.00 0.00 C ATOM 521 CG TYR A 34 -5.778 -13.139 5.387 1.00 0.00 C ATOM 522 CD1 TYR A 34 -4.789 -13.490 6.323 1.00 0.00 C ATOM 523 CD2 TYR A 34 -6.651 -14.119 4.883 1.00 0.00 C ATOM 524 CE1 TYR A 34 -4.682 -14.821 6.763 1.00 0.00 C ATOM 525 CE2 TYR A 34 -6.551 -15.448 5.317 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.576 -15.800 6.272 1.00 0.00 C ATOM 527 OH TYR A 34 -5.525 -17.078 6.727 1.00 0.00 O ATOM 0 H TYR A 34 -6.206 -9.606 3.859 1.00 0.00 H new ATOM 0 HA TYR A 34 -3.985 -10.849 5.075 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.268 -11.124 5.829 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -6.791 -11.666 4.247 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.113 -12.739 6.703 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.403 -13.846 4.157 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -3.918 -15.095 7.475 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.218 -16.199 4.921 1.00 0.00 H new ATOM 0 HH TYR A 34 -6.214 -17.612 6.280 1.00 0.00 H new ATOM 537 N ASN A 35 -4.830 -12.033 2.096 1.00 0.00 N ATOM 538 CA ASN A 35 -4.428 -12.936 1.026 1.00 0.00 C ATOM 539 C ASN A 35 -3.548 -12.249 -0.013 1.00 0.00 C ATOM 540 O ASN A 35 -3.181 -12.912 -0.968 1.00 0.00 O ATOM 541 CB ASN A 35 -5.655 -13.544 0.335 1.00 0.00 C ATOM 542 CG ASN A 35 -6.452 -14.453 1.250 1.00 0.00 C ATOM 543 OD1 ASN A 35 -5.954 -15.473 1.720 1.00 0.00 O ATOM 544 ND2 ASN A 35 -7.687 -14.094 1.522 1.00 0.00 N ATOM 0 H ASN A 35 -5.691 -11.523 1.897 1.00 0.00 H new ATOM 0 HA ASN A 35 -3.842 -13.728 1.493 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.299 -12.742 -0.024 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.332 -14.109 -0.539 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.261 -14.668 2.139 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.071 -13.241 1.116 1.00 0.00 H new ATOM 551 N PHE A 36 -3.190 -10.973 0.136 1.00 0.00 N ATOM 552 CA PHE A 36 -2.564 -10.151 -0.904 1.00 0.00 C ATOM 553 C PHE A 36 -1.354 -10.837 -1.552 1.00 0.00 C ATOM 554 O PHE A 36 -1.197 -10.802 -2.772 1.00 0.00 O ATOM 555 CB PHE A 36 -2.229 -8.790 -0.253 1.00 0.00 C ATOM 556 CG PHE A 36 -1.498 -7.713 -1.042 1.00 0.00 C ATOM 557 CD1 PHE A 36 -2.203 -6.774 -1.824 1.00 0.00 C ATOM 558 CD2 PHE A 36 -0.128 -7.509 -0.817 1.00 0.00 C ATOM 559 CE1 PHE A 36 -1.535 -5.676 -2.412 1.00 0.00 C ATOM 560 CE2 PHE A 36 0.515 -6.376 -1.339 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.166 -5.478 -2.162 1.00 0.00 C ATOM 0 H PHE A 36 -3.331 -10.466 1.010 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.247 -10.001 -1.740 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.169 -8.356 0.087 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -1.633 -8.997 0.636 1.00 0.00 H new ATOM 0 HD1 PHE A 36 -3.265 -6.896 -1.975 1.00 0.00 H new ATOM 0 HD2 PHE A 36 0.434 -8.228 -0.239 1.00 0.00 H new ATOM 0 HE1 PHE A 36 -2.074 -4.992 -3.051 1.00 0.00 H new ATOM 0 HE2 PHE A 36 1.553 -6.196 -1.100 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.353 -4.640 -2.602 1.00 0.00 H new ATOM 571 N TRP A 37 -0.557 -11.547 -0.753 1.00 0.00 N ATOM 572 CA TRP A 37 0.601 -12.331 -1.184 1.00 0.00 C ATOM 573 C TRP A 37 0.258 -13.742 -1.713 1.00 0.00 C ATOM 574 O TRP A 37 1.085 -14.655 -1.607 1.00 0.00 O ATOM 575 CB TRP A 37 1.621 -12.358 -0.033 1.00 0.00 C ATOM 576 CG TRP A 37 2.064 -11.017 0.461 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.997 -10.554 1.729 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.611 -9.930 -0.330 1.00 0.00 C ATOM 579 NE1 TRP A 37 2.481 -9.260 1.781 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.879 -8.824 0.529 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.867 -9.765 -1.702 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.386 -7.612 0.032 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.344 -8.556 -2.212 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.598 -7.482 -1.356 1.00 0.00 C ATOM 0 H TRP A 37 -0.707 -11.593 0.255 1.00 0.00 H new ATOM 0 HA TRP A 37 1.036 -11.840 -2.055 1.00 0.00 H new ATOM 0 HB2 TRP A 37 1.188 -12.909 0.802 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.499 -12.914 -0.361 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.622 -11.111 2.575 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.537 -8.700 2.631 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.691 -10.591 -2.376 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.609 -6.794 0.701 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.517 -8.451 -3.273 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.959 -6.547 -1.759 1.00 0.00 H new ATOM 595 N LYS A 38 -0.950 -13.970 -2.243 1.00 0.00 N ATOM 596 CA LYS A 38 -1.343 -15.143 -3.012 1.00 0.00 C ATOM 597 C LYS A 38 -0.690 -15.094 -4.385 1.00 0.00 C ATOM 598 O LYS A 38 -0.234 -14.053 -4.852 1.00 0.00 O ATOM 599 CB LYS A 38 -2.874 -15.135 -3.194 1.00 0.00 C ATOM 600 CG LYS A 38 -3.677 -16.191 -2.433 1.00 0.00 C ATOM 601 CD LYS A 38 -3.392 -16.323 -0.934 1.00 0.00 C ATOM 602 CE LYS A 38 -4.396 -17.342 -0.392 1.00 0.00 C ATOM 603 NZ LYS A 38 -4.302 -17.576 1.059 1.00 0.00 N ATOM 0 H LYS A 38 -1.715 -13.303 -2.138 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.029 -16.044 -2.485 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.244 -14.153 -2.899 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.088 -15.250 -4.257 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -4.737 -15.969 -2.560 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.496 -17.159 -2.900 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -2.369 -16.656 -0.761 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -3.504 -15.362 -0.431 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -5.404 -17.002 -0.628 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -4.250 -18.289 -0.911 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -4.528 -18.570 1.266 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -3.336 -17.366 1.383 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -4.975 -16.958 1.555 1.00 0.00 H new ATOM 617 N GLU A 39 -0.770 -16.215 -5.085 1.00 0.00 N ATOM 618 CA GLU A 39 -0.013 -16.492 -6.302 1.00 0.00 C ATOM 619 C GLU A 39 -0.778 -16.211 -7.598 1.00 0.00 C ATOM 620 O GLU A 39 -0.454 -16.746 -8.661 1.00 0.00 O ATOM 621 CB GLU A 39 0.568 -17.918 -6.198 1.00 0.00 C ATOM 622 CG GLU A 39 -0.483 -19.038 -6.133 1.00 0.00 C ATOM 623 CD GLU A 39 0.062 -20.278 -5.417 1.00 0.00 C ATOM 624 OE1 GLU A 39 0.895 -21.020 -5.991 1.00 0.00 O ATOM 625 OE2 GLU A 39 -0.380 -20.546 -4.276 1.00 0.00 O ATOM 0 H GLU A 39 -1.383 -16.984 -4.815 1.00 0.00 H new ATOM 0 HA GLU A 39 0.813 -15.784 -6.372 1.00 0.00 H new ATOM 0 HB2 GLU A 39 1.215 -18.095 -7.057 1.00 0.00 H new ATOM 0 HB3 GLU A 39 1.196 -17.976 -5.309 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.370 -18.676 -5.613 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.793 -19.306 -7.143 1.00 0.00 H new ATOM 632 N GLY A 40 -1.764 -15.322 -7.531 1.00 0.00 N ATOM 633 CA GLY A 40 -2.542 -14.855 -8.672 1.00 0.00 C ATOM 634 C GLY A 40 -3.826 -14.159 -8.234 1.00 0.00 C ATOM 635 O GLY A 40 -4.844 -14.295 -8.909 1.00 0.00 O ATOM 0 H GLY A 40 -2.052 -14.893 -6.652 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -1.940 -14.167 -9.266 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -2.788 -15.700 -9.315 1.00 0.00 H new ATOM 639 N TYR A 41 -3.822 -13.516 -7.061 1.00 0.00 N ATOM 640 CA TYR A 41 -4.997 -12.826 -6.544 1.00 0.00 C ATOM 641 C TYR A 41 -5.224 -11.550 -7.362 1.00 0.00 C ATOM 642 O TYR A 41 -4.301 -10.747 -7.525 1.00 0.00 O ATOM 643 CB TYR A 41 -4.780 -12.558 -5.045 1.00 0.00 C ATOM 644 CG TYR A 41 -5.942 -11.970 -4.275 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.474 -10.729 -4.651 1.00 0.00 C ATOM 646 CD2 TYR A 41 -6.442 -12.617 -3.128 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.565 -10.193 -3.956 1.00 0.00 C ATOM 648 CE2 TYR A 41 -7.516 -12.061 -2.409 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.114 -10.864 -2.851 1.00 0.00 C ATOM 650 OH TYR A 41 -9.206 -10.351 -2.223 1.00 0.00 O ATOM 0 H TYR A 41 -3.007 -13.462 -6.451 1.00 0.00 H new ATOM 0 HA TYR A 41 -5.900 -13.429 -6.641 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -4.501 -13.499 -4.570 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -3.930 -11.884 -4.941 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.042 -10.185 -5.478 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -5.998 -13.545 -2.799 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.990 -9.252 -4.274 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -7.882 -12.551 -1.519 1.00 0.00 H new ATOM 0 HH TYR A 41 -9.148 -9.373 -2.213 1.00 0.00 H new ATOM 660 N GLU A 42 -6.458 -11.320 -7.825 1.00 0.00 N ATOM 661 CA GLU A 42 -6.878 -10.058 -8.418 1.00 0.00 C ATOM 662 C GLU A 42 -7.679 -9.198 -7.453 1.00 0.00 C ATOM 663 O GLU A 42 -8.597 -9.671 -6.783 1.00 0.00 O ATOM 664 CB GLU A 42 -7.729 -10.290 -9.666 1.00 0.00 C ATOM 665 CG GLU A 42 -6.884 -10.534 -10.908 1.00 0.00 C ATOM 666 CD GLU A 42 -6.458 -11.984 -11.149 1.00 0.00 C ATOM 667 OE1 GLU A 42 -7.290 -12.910 -10.992 1.00 0.00 O ATOM 668 OE2 GLU A 42 -5.340 -12.144 -11.687 1.00 0.00 O ATOM 0 H GLU A 42 -7.199 -12.020 -7.795 1.00 0.00 H new ATOM 0 HA GLU A 42 -5.958 -9.534 -8.678 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.384 -11.146 -9.502 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.371 -9.424 -9.831 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -7.443 -10.190 -11.778 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -5.987 -9.918 -10.841 1.00 0.00 H new ATOM 675 N ILE A 43 -7.380 -7.901 -7.470 1.00 0.00 N ATOM 676 CA ILE A 43 -7.753 -6.930 -6.462 1.00 0.00 C ATOM 677 C ILE A 43 -8.692 -5.962 -7.154 1.00 0.00 C ATOM 678 O ILE A 43 -8.245 -5.160 -7.981 1.00 0.00 O ATOM 679 CB ILE A 43 -6.488 -6.245 -5.902 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.598 -7.297 -5.217 1.00 0.00 C ATOM 681 CG2 ILE A 43 -6.871 -5.113 -4.940 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.480 -6.713 -4.367 1.00 0.00 C ATOM 0 H ILE A 43 -6.843 -7.484 -8.230 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.251 -7.378 -5.602 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.923 -5.796 -6.719 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.223 -7.931 -4.588 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.160 -7.939 -5.981 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.967 -4.641 -4.555 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.469 -4.372 -5.470 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.449 -5.520 -4.111 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.901 -7.522 -3.921 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.828 -6.103 -4.992 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.908 -6.095 -3.578 1.00 0.00 H new ATOM 694 N LYS A 44 -9.994 -6.089 -6.895 1.00 0.00 N ATOM 695 CA LYS A 44 -11.010 -5.249 -7.517 1.00 0.00 C ATOM 696 C LYS A 44 -12.082 -4.782 -6.520 1.00 0.00 C ATOM 697 O LYS A 44 -13.041 -4.123 -6.926 1.00 0.00 O ATOM 698 CB LYS A 44 -11.588 -5.981 -8.736 1.00 0.00 C ATOM 699 CG LYS A 44 -10.511 -6.142 -9.826 1.00 0.00 C ATOM 700 CD LYS A 44 -11.034 -6.688 -11.148 1.00 0.00 C ATOM 701 CE LYS A 44 -11.367 -8.169 -10.983 1.00 0.00 C ATOM 702 NZ LYS A 44 -11.787 -8.778 -12.255 1.00 0.00 N ATOM 0 H LYS A 44 -10.371 -6.780 -6.246 1.00 0.00 H new ATOM 0 HA LYS A 44 -10.545 -4.326 -7.864 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.961 -6.961 -8.437 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -12.437 -5.425 -9.134 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -10.045 -5.173 -10.005 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.731 -6.807 -9.455 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.921 -6.136 -11.458 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -10.287 -6.556 -11.931 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.495 -8.697 -10.597 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.161 -8.283 -10.245 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.005 -9.784 -12.103 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -12.634 -8.290 -12.611 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -11.020 -8.691 -12.952 1.00 0.00 H new ATOM 716 N ASN A 45 -11.952 -5.086 -5.224 1.00 0.00 N ATOM 717 CA ASN A 45 -12.627 -4.352 -4.158 1.00 0.00 C ATOM 718 C ASN A 45 -12.099 -2.927 -4.160 1.00 0.00 C ATOM 719 O ASN A 45 -11.100 -2.651 -3.500 1.00 0.00 O ATOM 720 CB ASN A 45 -12.355 -4.975 -2.776 1.00 0.00 C ATOM 721 CG ASN A 45 -13.142 -6.240 -2.525 1.00 0.00 C ATOM 722 OD1 ASN A 45 -12.584 -7.329 -2.496 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.448 -6.122 -2.337 1.00 0.00 N ATOM 0 H ASN A 45 -11.371 -5.854 -4.887 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.701 -4.385 -4.338 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.291 -5.194 -2.687 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.596 -4.246 -2.003 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.015 -6.952 -2.163 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.886 -5.201 -2.367 1.00 0.00 H new ATOM 730 N ARG A 46 -12.756 -1.998 -4.851 1.00 0.00 N ATOM 731 CA ARG A 46 -12.435 -0.582 -4.864 1.00 0.00 C ATOM 732 C ARG A 46 -12.183 -0.004 -3.469 1.00 0.00 C ATOM 733 O ARG A 46 -11.389 0.927 -3.317 1.00 0.00 O ATOM 734 CB ARG A 46 -13.653 0.088 -5.519 1.00 0.00 C ATOM 735 CG ARG A 46 -13.444 1.579 -5.718 1.00 0.00 C ATOM 736 CD ARG A 46 -14.685 2.234 -6.331 1.00 0.00 C ATOM 737 NE ARG A 46 -14.698 3.677 -6.063 1.00 0.00 N ATOM 738 CZ ARG A 46 -15.194 4.286 -4.981 1.00 0.00 C ATOM 739 NH1 ARG A 46 -15.793 3.609 -4.007 1.00 0.00 N ATOM 740 NH2 ARG A 46 -15.077 5.599 -4.867 1.00 0.00 N ATOM 0 H ARG A 46 -13.558 -2.225 -5.439 1.00 0.00 H new ATOM 0 HA ARG A 46 -11.505 -0.405 -5.405 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -13.851 -0.382 -6.482 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -14.534 -0.075 -4.898 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -13.217 2.048 -4.761 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -12.584 1.745 -6.366 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -14.700 2.059 -7.407 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -15.584 1.775 -5.921 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.286 4.278 -6.777 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -15.885 2.595 -4.072 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -16.161 4.103 -3.194 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -14.612 6.135 -5.600 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -15.451 6.075 -4.046 1.00 0.00 H new ATOM 754 N GLU A 47 -12.844 -0.553 -2.451 1.00 0.00 N ATOM 755 CA GLU A 47 -12.686 -0.131 -1.068 1.00 0.00 C ATOM 756 C GLU A 47 -11.246 -0.313 -0.577 1.00 0.00 C ATOM 757 O GLU A 47 -10.851 0.399 0.344 1.00 0.00 O ATOM 758 CB GLU A 47 -13.642 -0.924 -0.160 1.00 0.00 C ATOM 759 CG GLU A 47 -15.116 -0.921 -0.585 1.00 0.00 C ATOM 760 CD GLU A 47 -15.698 0.479 -0.774 1.00 0.00 C ATOM 761 OE1 GLU A 47 -15.506 1.094 -1.849 1.00 0.00 O ATOM 762 OE2 GLU A 47 -16.415 0.963 0.124 1.00 0.00 O ATOM 0 H GLU A 47 -13.513 -1.314 -2.570 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.927 0.931 -1.022 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.298 -1.957 -0.115 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.573 -0.521 0.850 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.217 -1.476 -1.518 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.703 -1.450 0.166 1.00 0.00 H new ATOM 769 N THR A 48 -10.452 -1.216 -1.166 1.00 0.00 N ATOM 770 CA THR A 48 -9.066 -1.408 -0.775 1.00 0.00 C ATOM 771 C THR A 48 -8.272 -0.175 -1.191 1.00 0.00 C ATOM 772 O THR A 48 -7.487 0.335 -0.404 1.00 0.00 O ATOM 773 CB THR A 48 -8.441 -2.684 -1.361 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.202 -2.607 -2.753 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.226 -3.961 -1.093 1.00 0.00 C ATOM 0 H THR A 48 -10.759 -1.827 -1.923 1.00 0.00 H new ATOM 0 HA THR A 48 -9.035 -1.538 0.307 1.00 0.00 H new ATOM 0 HB THR A 48 -7.494 -2.742 -0.824 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.057 -2.592 -3.231 1.00 0.00 H new ATOM 0 HG21 THR A 48 -8.709 -4.808 -1.544 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.309 -4.118 -0.018 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.223 -3.873 -1.525 1.00 0.00 H new ATOM 783 N GLY A 49 -8.525 0.358 -2.389 1.00 0.00 N ATOM 784 CA GLY A 49 -7.877 1.549 -2.906 1.00 0.00 C ATOM 785 C GLY A 49 -8.041 2.713 -1.940 1.00 0.00 C ATOM 786 O GLY A 49 -7.080 3.409 -1.609 1.00 0.00 O ATOM 0 H GLY A 49 -9.204 -0.042 -3.036 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.817 1.351 -3.068 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.304 1.810 -3.874 1.00 0.00 H new ATOM 790 N CYS A 50 -9.273 2.910 -1.465 1.00 0.00 N ATOM 791 CA CYS A 50 -9.553 3.927 -0.470 1.00 0.00 C ATOM 792 C CYS A 50 -9.039 3.567 0.935 1.00 0.00 C ATOM 793 O CYS A 50 -8.626 4.480 1.648 1.00 0.00 O ATOM 794 CB CYS A 50 -11.033 4.314 -0.525 1.00 0.00 C ATOM 795 SG CYS A 50 -11.227 5.880 -1.425 1.00 0.00 S ATOM 0 H CYS A 50 -10.089 2.373 -1.759 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.978 4.819 -0.720 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.606 3.528 -1.017 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.430 4.413 0.485 1.00 0.00 H new ATOM 800 N ALA A 51 -8.966 2.291 1.344 1.00 0.00 N ATOM 801 CA ALA A 51 -8.235 1.926 2.562 1.00 0.00 C ATOM 802 C ALA A 51 -6.792 2.396 2.428 1.00 0.00 C ATOM 803 O ALA A 51 -6.309 3.129 3.283 1.00 0.00 O ATOM 804 CB ALA A 51 -8.250 0.418 2.869 1.00 0.00 C ATOM 0 H ALA A 51 -9.398 1.507 0.856 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.743 2.415 3.394 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -7.689 0.227 3.784 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.279 0.083 2.998 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -7.792 -0.126 2.043 1.00 0.00 H new ATOM 810 N ILE A 52 -6.105 1.980 1.365 1.00 0.00 N ATOM 811 CA ILE A 52 -4.701 2.261 1.104 1.00 0.00 C ATOM 812 C ILE A 52 -4.446 3.761 1.266 1.00 0.00 C ATOM 813 O ILE A 52 -3.480 4.138 1.930 1.00 0.00 O ATOM 814 CB ILE A 52 -4.300 1.638 -0.259 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.275 0.096 -0.114 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.938 2.111 -0.794 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.137 -0.664 -1.435 1.00 0.00 C ATOM 0 H ILE A 52 -6.534 1.414 0.633 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.040 1.789 1.831 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.045 1.970 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.447 -0.181 0.538 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.192 -0.225 0.381 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.735 1.628 -1.750 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.956 3.192 -0.931 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.156 1.849 -0.081 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.128 -1.736 -1.239 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -4.978 -0.421 -2.084 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.206 -0.377 -1.924 1.00 0.00 H new ATOM 829 N MET A 53 -5.346 4.607 0.765 1.00 0.00 N ATOM 830 CA MET A 53 -5.327 6.045 0.983 1.00 0.00 C ATOM 831 C MET A 53 -5.468 6.424 2.469 1.00 0.00 C ATOM 832 O MET A 53 -4.590 7.113 2.989 1.00 0.00 O ATOM 833 CB MET A 53 -6.419 6.660 0.109 1.00 0.00 C ATOM 834 CG MET A 53 -6.341 8.180 0.092 1.00 0.00 C ATOM 835 SD MET A 53 -7.218 8.877 -1.324 1.00 0.00 S ATOM 836 CE MET A 53 -8.926 8.700 -0.745 1.00 0.00 C ATOM 0 H MET A 53 -6.125 4.299 0.183 1.00 0.00 H new ATOM 0 HA MET A 53 -4.356 6.448 0.695 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.327 6.280 -0.908 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.397 6.350 0.478 1.00 0.00 H new ATOM 0 HG2 MET A 53 -6.765 8.577 1.014 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.297 8.491 0.062 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.612 8.933 -1.559 1.00 0.00 H new ATOM 0 HE2 MET A 53 -9.093 7.676 -0.412 1.00 0.00 H new ATOM 0 HE3 MET A 53 -9.102 9.385 0.085 1.00 0.00 H new ATOM 846 N CYS A 54 -6.526 5.979 3.160 1.00 0.00 N ATOM 847 CA CYS A 54 -6.762 6.266 4.579 1.00 0.00 C ATOM 848 C CYS A 54 -5.549 5.891 5.431 1.00 0.00 C ATOM 849 O CYS A 54 -4.976 6.751 6.098 1.00 0.00 O ATOM 850 CB CYS A 54 -8.038 5.574 5.087 1.00 0.00 C ATOM 851 SG CYS A 54 -8.481 5.983 6.800 1.00 0.00 S ATOM 0 H CYS A 54 -7.253 5.400 2.740 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.912 7.341 4.675 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.868 5.845 4.435 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.909 4.495 5.006 1.00 0.00 H new ATOM 856 N LEU A 55 -5.123 4.624 5.395 1.00 0.00 N ATOM 857 CA LEU A 55 -3.920 4.123 6.001 1.00 0.00 C ATOM 858 C LEU A 55 -2.719 5.000 5.660 1.00 0.00 C ATOM 859 O LEU A 55 -2.032 5.416 6.585 1.00 0.00 O ATOM 860 CB LEU A 55 -3.838 2.697 5.461 1.00 0.00 C ATOM 861 CG LEU A 55 -4.697 1.659 6.207 1.00 0.00 C ATOM 862 CD1 LEU A 55 -4.746 1.811 7.735 1.00 0.00 C ATOM 863 CD2 LEU A 55 -6.160 1.605 5.803 1.00 0.00 C ATOM 0 H LEU A 55 -5.648 3.895 4.913 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.924 4.134 7.091 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -4.137 2.706 4.413 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.798 2.373 5.493 1.00 0.00 H new ATOM 0 HG LEU A 55 -4.162 0.757 5.908 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -5.378 1.030 8.158 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.739 1.723 8.142 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -5.157 2.788 7.990 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -6.671 0.842 6.389 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -6.624 2.574 5.986 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -6.236 1.360 4.744 1.00 0.00 H new ATOM 875 N SER A 56 -2.484 5.351 4.391 1.00 0.00 N ATOM 876 CA SER A 56 -1.387 6.258 4.029 1.00 0.00 C ATOM 877 C SER A 56 -1.398 7.551 4.852 1.00 0.00 C ATOM 878 O SER A 56 -0.375 7.865 5.461 1.00 0.00 O ATOM 879 CB SER A 56 -1.351 6.544 2.530 1.00 0.00 C ATOM 880 OG SER A 56 -1.163 5.333 1.820 1.00 0.00 O ATOM 0 H SER A 56 -3.036 5.022 3.599 1.00 0.00 H new ATOM 0 HA SER A 56 -0.464 5.736 4.280 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.281 7.020 2.218 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.544 7.240 2.302 1.00 0.00 H new ATOM 0 HG SER A 56 -2.011 4.844 1.777 1.00 0.00 H new ATOM 886 N THR A 57 -2.525 8.262 4.956 1.00 0.00 N ATOM 887 CA THR A 57 -2.644 9.371 5.902 1.00 0.00 C ATOM 888 C THR A 57 -2.264 8.912 7.317 1.00 0.00 C ATOM 889 O THR A 57 -1.452 9.566 7.969 1.00 0.00 O ATOM 890 CB THR A 57 -4.062 9.974 5.847 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.156 10.914 4.797 1.00 0.00 O ATOM 892 CG2 THR A 57 -4.437 10.696 7.135 1.00 0.00 C ATOM 0 H THR A 57 -3.362 8.089 4.400 1.00 0.00 H new ATOM 0 HA THR A 57 -1.946 10.159 5.619 1.00 0.00 H new ATOM 0 HB THR A 57 -4.742 9.136 5.693 1.00 0.00 H new ATOM 0 HG1 THR A 57 -5.062 11.288 4.772 1.00 0.00 H new ATOM 0 HG21 THR A 57 -5.444 11.102 7.044 1.00 0.00 H new ATOM 0 HG22 THR A 57 -4.402 9.995 7.969 1.00 0.00 H new ATOM 0 HG23 THR A 57 -3.733 11.509 7.315 1.00 0.00 H new ATOM 900 N LYS A 58 -2.825 7.805 7.807 1.00 0.00 N ATOM 901 CA LYS A 58 -2.624 7.365 9.184 1.00 0.00 C ATOM 902 C LYS A 58 -1.168 7.015 9.515 1.00 0.00 C ATOM 903 O LYS A 58 -0.845 6.950 10.701 1.00 0.00 O ATOM 904 CB LYS A 58 -3.549 6.194 9.529 1.00 0.00 C ATOM 905 CG LYS A 58 -5.055 6.484 9.337 1.00 0.00 C ATOM 906 CD LYS A 58 -5.866 6.318 10.629 1.00 0.00 C ATOM 907 CE LYS A 58 -7.318 6.753 10.421 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.988 7.029 11.705 1.00 0.00 N ATOM 0 H LYS A 58 -3.429 7.192 7.260 1.00 0.00 H new ATOM 0 HA LYS A 58 -2.881 8.222 9.807 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.276 5.338 8.911 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.377 5.906 10.566 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.179 7.501 8.965 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.454 5.814 8.575 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -5.836 5.277 10.951 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.415 6.910 11.425 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -7.346 7.645 9.796 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -7.860 5.973 9.887 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -9.017 6.938 11.586 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -7.660 6.349 12.421 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.760 7.995 12.015 1.00 0.00 H new ATOM 922 N LEU A 59 -0.273 6.766 8.549 1.00 0.00 N ATOM 923 CA LEU A 59 1.163 6.605 8.819 1.00 0.00 C ATOM 924 C LEU A 59 1.936 7.917 8.619 1.00 0.00 C ATOM 925 O LEU A 59 3.160 7.918 8.757 1.00 0.00 O ATOM 926 CB LEU A 59 1.801 5.510 7.938 1.00 0.00 C ATOM 927 CG LEU A 59 1.480 4.048 8.279 1.00 0.00 C ATOM 928 CD1 LEU A 59 1.734 3.642 9.729 1.00 0.00 C ATOM 929 CD2 LEU A 59 0.053 3.695 7.928 1.00 0.00 C ATOM 0 H LEU A 59 -0.522 6.671 7.564 1.00 0.00 H new ATOM 0 HA LEU A 59 1.234 6.305 9.864 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.497 5.689 6.907 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.883 5.635 7.978 1.00 0.00 H new ATOM 0 HG LEU A 59 2.185 3.487 7.665 1.00 0.00 H new ATOM 0 HD11 LEU A 59 1.475 2.592 9.863 1.00 0.00 H new ATOM 0 HD12 LEU A 59 2.787 3.790 9.969 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.121 4.254 10.391 1.00 0.00 H new ATOM 0 HD21 LEU A 59 -0.137 2.653 8.183 1.00 0.00 H new ATOM 0 HD22 LEU A 59 -0.628 4.336 8.487 1.00 0.00 H new ATOM 0 HD23 LEU A 59 -0.106 3.842 6.860 1.00 0.00 H new ATOM 941 N ASN A 60 1.258 9.014 8.287 1.00 0.00 N ATOM 942 CA ASN A 60 1.785 10.296 7.825 1.00 0.00 C ATOM 943 C ASN A 60 2.468 10.209 6.451 1.00 0.00 C ATOM 944 O ASN A 60 3.479 10.862 6.217 1.00 0.00 O ATOM 945 CB ASN A 60 2.650 10.991 8.886 1.00 0.00 C ATOM 946 CG ASN A 60 2.895 12.461 8.553 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.958 13.250 8.440 1.00 0.00 O ATOM 948 ND2 ASN A 60 4.148 12.865 8.441 1.00 0.00 N ATOM 0 H ASN A 60 0.239 9.030 8.339 1.00 0.00 H new ATOM 0 HA ASN A 60 0.919 10.940 7.673 1.00 0.00 H new ATOM 0 HB2 ASN A 60 2.161 10.916 9.858 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.606 10.474 8.969 1.00 0.00 H new ATOM 0 HD21 ASN A 60 4.353 13.847 8.258 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.911 12.195 8.538 1.00 0.00 H new ATOM 955 N MET A 61 1.954 9.383 5.533 1.00 0.00 N ATOM 956 CA MET A 61 2.498 9.246 4.172 1.00 0.00 C ATOM 957 C MET A 61 1.757 10.127 3.158 1.00 0.00 C ATOM 958 O MET A 61 2.002 9.973 1.964 1.00 0.00 O ATOM 959 CB MET A 61 2.542 7.778 3.690 1.00 0.00 C ATOM 960 CG MET A 61 3.532 6.925 4.483 1.00 0.00 C ATOM 961 SD MET A 61 4.032 5.359 3.720 1.00 0.00 S ATOM 962 CE MET A 61 2.760 4.257 4.366 1.00 0.00 C ATOM 0 H MET A 61 1.146 8.787 5.711 1.00 0.00 H new ATOM 0 HA MET A 61 3.528 9.599 4.232 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.546 7.343 3.773 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.813 7.755 2.634 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.428 7.519 4.664 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.093 6.707 5.456 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.926 3.248 3.988 1.00 0.00 H new ATOM 0 HE2 MET A 61 2.805 4.248 5.455 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.779 4.607 4.046 1.00 0.00 H new ATOM 972 N LEU A 62 0.863 11.032 3.574 1.00 0.00 N ATOM 973 CA LEU A 62 0.190 11.951 2.657 1.00 0.00 C ATOM 974 C LEU A 62 0.545 13.377 3.048 1.00 0.00 C ATOM 975 O LEU A 62 -0.013 13.938 4.000 1.00 0.00 O ATOM 976 CB LEU A 62 -1.322 11.686 2.562 1.00 0.00 C ATOM 977 CG LEU A 62 -1.683 10.481 1.666 1.00 0.00 C ATOM 978 CD1 LEU A 62 -3.198 10.265 1.681 1.00 0.00 C ATOM 979 CD2 LEU A 62 -1.260 10.661 0.203 1.00 0.00 C ATOM 0 H LEU A 62 0.589 11.145 4.550 1.00 0.00 H new ATOM 0 HA LEU A 62 0.547 11.782 1.641 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -1.716 11.514 3.564 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -1.815 12.577 2.174 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.142 9.629 2.076 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -3.451 9.414 1.048 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -3.527 10.069 2.701 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -3.697 11.158 1.304 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -1.544 9.778 -0.369 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.755 11.538 -0.214 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.180 10.795 0.151 1.00 0.00 H new ATOM 991 N ASP A 63 1.524 13.910 2.321 1.00 0.00 N ATOM 992 CA ASP A 63 2.081 15.262 2.397 1.00 0.00 C ATOM 993 C ASP A 63 0.954 16.300 2.277 1.00 0.00 C ATOM 994 O ASP A 63 -0.172 15.941 1.910 1.00 0.00 O ATOM 995 CB ASP A 63 3.111 15.408 1.261 1.00 0.00 C ATOM 996 CG ASP A 63 4.447 16.078 1.568 1.00 0.00 C ATOM 997 OD1 ASP A 63 4.891 16.146 2.726 1.00 0.00 O ATOM 998 OD2 ASP A 63 5.071 16.562 0.596 1.00 0.00 O ATOM 0 H ASP A 63 1.990 13.360 1.600 1.00 0.00 H new ATOM 0 HA ASP A 63 2.573 15.431 3.355 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.322 14.411 0.875 1.00 0.00 H new ATOM 0 HB3 ASP A 63 2.637 15.968 0.455 1.00 0.00 H new ATOM 1003 N PRO A 64 1.190 17.588 2.576 1.00 0.00 N ATOM 1004 CA PRO A 64 0.114 18.512 2.933 1.00 0.00 C ATOM 1005 C PRO A 64 -0.559 19.138 1.707 1.00 0.00 C ATOM 1006 O PRO A 64 -1.018 20.277 1.739 1.00 0.00 O ATOM 1007 CB PRO A 64 0.833 19.549 3.807 1.00 0.00 C ATOM 1008 CG PRO A 64 2.248 19.609 3.239 1.00 0.00 C ATOM 1009 CD PRO A 64 2.497 18.183 2.763 1.00 0.00 C ATOM 0 HA PRO A 64 -0.714 18.023 3.447 1.00 0.00 H new ATOM 0 HB2 PRO A 64 0.342 20.521 3.755 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.838 19.250 4.855 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.323 20.325 2.420 1.00 0.00 H new ATOM 0 HG3 PRO A 64 2.972 19.913 3.995 1.00 0.00 H new ATOM 0 HD2 PRO A 64 3.065 18.176 1.833 1.00 0.00 H new ATOM 0 HD3 PRO A 64 3.079 17.624 3.496 1.00 0.00 H new ATOM 1017 N GLU A 65 -0.784 18.316 0.691 1.00 0.00 N ATOM 1018 CA GLU A 65 -1.340 18.613 -0.623 1.00 0.00 C ATOM 1019 C GLU A 65 -2.143 17.403 -1.124 1.00 0.00 C ATOM 1020 O GLU A 65 -2.961 17.527 -2.039 1.00 0.00 O ATOM 1021 CB GLU A 65 -0.202 18.878 -1.612 1.00 0.00 C ATOM 1022 CG GLU A 65 0.656 20.081 -1.211 1.00 0.00 C ATOM 1023 CD GLU A 65 -0.048 21.424 -1.432 1.00 0.00 C ATOM 1024 OE1 GLU A 65 -0.322 21.772 -2.603 1.00 0.00 O ATOM 1025 OE2 GLU A 65 -0.307 22.180 -0.463 1.00 0.00 O ATOM 0 H GLU A 65 -0.559 17.325 0.775 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.984 19.489 -0.547 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.429 17.992 -1.680 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.620 19.049 -2.604 1.00 0.00 H new ATOM 0 HG2 GLU A 65 0.929 19.990 -0.160 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.583 20.065 -1.784 1.00 0.00 H new ATOM 1032 N GLY A 66 -1.902 16.227 -0.533 1.00 0.00 N ATOM 1033 CA GLY A 66 -2.541 14.962 -0.880 1.00 0.00 C ATOM 1034 C GLY A 66 -1.742 14.152 -1.903 1.00 0.00 C ATOM 1035 O GLY A 66 -2.318 13.294 -2.580 1.00 0.00 O ATOM 0 H GLY A 66 -1.230 16.132 0.229 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.673 14.367 0.024 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.536 15.161 -1.278 1.00 0.00 H new ATOM 1039 N ASN A 67 -0.441 14.438 -2.025 1.00 0.00 N ATOM 1040 CA ASN A 67 0.545 13.604 -2.708 1.00 0.00 C ATOM 1041 C ASN A 67 1.246 12.706 -1.679 1.00 0.00 C ATOM 1042 O ASN A 67 1.125 12.928 -0.470 1.00 0.00 O ATOM 1043 CB ASN A 67 1.529 14.479 -3.506 1.00 0.00 C ATOM 1044 CG ASN A 67 2.530 15.256 -2.649 1.00 0.00 C ATOM 1045 OD1 ASN A 67 3.384 14.697 -1.965 1.00 0.00 O ATOM 1046 ND2 ASN A 67 2.438 16.574 -2.676 1.00 0.00 N ATOM 0 H ASN A 67 -0.034 15.288 -1.635 1.00 0.00 H new ATOM 0 HA ASN A 67 0.053 12.956 -3.433 1.00 0.00 H new ATOM 0 HB2 ASN A 67 2.080 13.843 -4.199 1.00 0.00 H new ATOM 0 HB3 ASN A 67 0.959 15.187 -4.108 1.00 0.00 H new ATOM 0 HD21 ASN A 67 3.081 17.142 -2.124 1.00 0.00 H new ATOM 0 HD22 ASN A 67 1.724 17.024 -3.249 1.00 0.00 H new ATOM 1053 N LEU A 68 1.940 11.665 -2.147 1.00 0.00 N ATOM 1054 CA LEU A 68 2.598 10.685 -1.289 1.00 0.00 C ATOM 1055 C LEU A 68 3.917 11.265 -0.803 1.00 0.00 C ATOM 1056 O LEU A 68 4.788 11.601 -1.606 1.00 0.00 O ATOM 1057 CB LEU A 68 2.785 9.339 -2.011 1.00 0.00 C ATOM 1058 CG LEU A 68 2.986 8.164 -1.023 1.00 0.00 C ATOM 1059 CD1 LEU A 68 2.456 6.876 -1.648 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.435 7.902 -0.599 1.00 0.00 C ATOM 0 H LEU A 68 2.060 11.480 -3.143 1.00 0.00 H new ATOM 0 HA LEU A 68 1.968 10.476 -0.425 1.00 0.00 H new ATOM 0 HB2 LEU A 68 1.914 9.140 -2.636 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.646 9.403 -2.676 1.00 0.00 H new ATOM 0 HG LEU A 68 2.441 8.461 -0.127 1.00 0.00 H new ATOM 0 HD11 LEU A 68 2.598 6.049 -0.952 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.394 6.988 -1.867 1.00 0.00 H new ATOM 0 HD13 LEU A 68 2.997 6.670 -2.571 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.465 7.060 0.093 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.035 7.671 -1.479 1.00 0.00 H new ATOM 0 HD23 LEU A 68 4.837 8.789 -0.109 1.00 0.00 H new ATOM 1072 N HIS A 69 4.052 11.380 0.514 1.00 0.00 N ATOM 1073 CA HIS A 69 5.245 11.859 1.182 1.00 0.00 C ATOM 1074 C HIS A 69 6.296 10.754 1.167 1.00 0.00 C ATOM 1075 O HIS A 69 6.418 9.977 2.116 1.00 0.00 O ATOM 1076 CB HIS A 69 4.866 12.284 2.606 1.00 0.00 C ATOM 1077 CG HIS A 69 5.886 13.096 3.362 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.238 13.197 3.120 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.597 13.900 4.428 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.759 13.992 4.069 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.803 14.430 4.907 1.00 0.00 N ATOM 0 H HIS A 69 3.305 11.132 1.163 1.00 0.00 H new ATOM 0 HA HIS A 69 5.669 12.724 0.673 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.942 12.860 2.555 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.650 11.385 3.184 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.614 14.093 4.830 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.806 14.246 4.148 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.930 15.026 5.725 1.00 0.00 H new ATOM 1089 N HIS A 70 7.062 10.690 0.084 1.00 0.00 N ATOM 1090 CA HIS A 70 8.177 9.777 -0.112 1.00 0.00 C ATOM 1091 C HIS A 70 9.155 9.807 1.064 1.00 0.00 C ATOM 1092 O HIS A 70 9.688 8.768 1.448 1.00 0.00 O ATOM 1093 CB HIS A 70 8.902 10.168 -1.398 1.00 0.00 C ATOM 1094 CG HIS A 70 7.983 10.346 -2.575 1.00 0.00 C ATOM 1095 ND1 HIS A 70 7.846 11.512 -3.285 1.00 0.00 N ATOM 1096 CD2 HIS A 70 7.105 9.433 -3.093 1.00 0.00 C ATOM 1097 CE1 HIS A 70 6.950 11.296 -4.258 1.00 0.00 C ATOM 1098 NE2 HIS A 70 6.466 10.040 -4.175 1.00 0.00 N ATOM 0 H HIS A 70 6.914 11.303 -0.718 1.00 0.00 H new ATOM 0 HA HIS A 70 7.787 8.762 -0.181 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.448 11.096 -1.230 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.641 9.403 -1.636 1.00 0.00 H new ATOM 0 HD2 HIS A 70 6.938 8.429 -2.732 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.658 12.023 -5.001 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.768 9.616 -4.785 1.00 0.00 H new ATOM 1106 N GLY A 71 9.371 10.987 1.651 1.00 0.00 N ATOM 1107 CA GLY A 71 10.102 11.164 2.897 1.00 0.00 C ATOM 1108 C GLY A 71 9.600 10.231 3.991 1.00 0.00 C ATOM 1109 O GLY A 71 10.305 9.313 4.411 1.00 0.00 O ATOM 0 H GLY A 71 9.031 11.865 1.258 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.163 10.982 2.724 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.006 12.198 3.230 1.00 0.00 H new ATOM 1113 N ASN A 72 8.376 10.464 4.469 1.00 0.00 N ATOM 1114 CA ASN A 72 7.806 9.685 5.568 1.00 0.00 C ATOM 1115 C ASN A 72 7.631 8.214 5.184 1.00 0.00 C ATOM 1116 O ASN A 72 7.694 7.340 6.046 1.00 0.00 O ATOM 1117 CB ASN A 72 6.461 10.277 6.007 1.00 0.00 C ATOM 1118 CG ASN A 72 6.451 10.610 7.490 1.00 0.00 C ATOM 1119 OD1 ASN A 72 6.686 11.747 7.881 1.00 0.00 O ATOM 1120 ND2 ASN A 72 6.162 9.671 8.365 1.00 0.00 N ATOM 0 H ASN A 72 7.758 11.191 4.109 1.00 0.00 H new ATOM 0 HA ASN A 72 8.506 9.735 6.402 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.254 11.178 5.430 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.662 9.568 5.788 1.00 0.00 H new ATOM 0 HD21 ASN A 72 6.135 9.892 9.360 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.965 8.722 8.048 1.00 0.00 H new ATOM 1127 N ALA A 73 7.417 7.935 3.897 1.00 0.00 N ATOM 1128 CA ALA A 73 7.373 6.595 3.342 1.00 0.00 C ATOM 1129 C ALA A 73 8.713 5.871 3.532 1.00 0.00 C ATOM 1130 O ALA A 73 8.726 4.709 3.939 1.00 0.00 O ATOM 1131 CB ALA A 73 6.945 6.672 1.875 1.00 0.00 C ATOM 0 H ALA A 73 7.266 8.662 3.197 1.00 0.00 H new ATOM 0 HA ALA A 73 6.634 6.000 3.878 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.910 5.668 1.453 1.00 0.00 H new ATOM 0 HB2 ALA A 73 5.957 7.128 1.808 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.662 7.275 1.318 1.00 0.00 H new ATOM 1137 N MET A 74 9.844 6.533 3.280 1.00 0.00 N ATOM 1138 CA MET A 74 11.165 5.963 3.507 1.00 0.00 C ATOM 1139 C MET A 74 11.456 5.807 5.000 1.00 0.00 C ATOM 1140 O MET A 74 12.040 4.803 5.407 1.00 0.00 O ATOM 1141 CB MET A 74 12.223 6.835 2.826 1.00 0.00 C ATOM 1142 CG MET A 74 13.612 6.239 3.063 1.00 0.00 C ATOM 1143 SD MET A 74 14.829 6.651 1.804 1.00 0.00 S ATOM 1144 CE MET A 74 14.250 5.560 0.478 1.00 0.00 C ATOM 0 H MET A 74 9.865 7.484 2.911 1.00 0.00 H new ATOM 0 HA MET A 74 11.195 4.965 3.070 1.00 0.00 H new ATOM 0 HB2 MET A 74 12.022 6.899 1.757 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.180 7.850 3.220 1.00 0.00 H new ATOM 0 HG2 MET A 74 13.979 6.581 4.030 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.522 5.154 3.122 1.00 0.00 H new ATOM 0 HE1 MET A 74 15.030 4.839 0.233 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.356 5.030 0.807 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.015 6.154 -0.405 1.00 0.00 H new ATOM 1154 N GLU A 75 11.036 6.766 5.824 1.00 0.00 N ATOM 1155 CA GLU A 75 11.227 6.713 7.273 1.00 0.00 C ATOM 1156 C GLU A 75 10.552 5.458 7.826 1.00 0.00 C ATOM 1157 O GLU A 75 11.167 4.692 8.562 1.00 0.00 O ATOM 1158 CB GLU A 75 10.641 7.966 7.921 1.00 0.00 C ATOM 1159 CG GLU A 75 11.406 9.226 7.492 1.00 0.00 C ATOM 1160 CD GLU A 75 12.564 9.601 8.414 1.00 0.00 C ATOM 1161 OE1 GLU A 75 13.419 8.737 8.705 1.00 0.00 O ATOM 1162 OE2 GLU A 75 12.619 10.781 8.830 1.00 0.00 O ATOM 0 H GLU A 75 10.552 7.605 5.504 1.00 0.00 H new ATOM 0 HA GLU A 75 12.292 6.673 7.501 1.00 0.00 H new ATOM 0 HB2 GLU A 75 9.591 8.064 7.645 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.677 7.868 9.006 1.00 0.00 H new ATOM 0 HG2 GLU A 75 11.793 9.077 6.484 1.00 0.00 H new ATOM 0 HG3 GLU A 75 10.708 10.062 7.445 1.00 0.00 H new ATOM 1169 N PHE A 76 9.302 5.214 7.417 1.00 0.00 N ATOM 1170 CA PHE A 76 8.536 4.016 7.739 1.00 0.00 C ATOM 1171 C PHE A 76 9.345 2.764 7.390 1.00 0.00 C ATOM 1172 O PHE A 76 9.416 1.835 8.195 1.00 0.00 O ATOM 1173 CB PHE A 76 7.231 4.052 6.921 1.00 0.00 C ATOM 1174 CG PHE A 76 6.155 3.050 7.292 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.557 3.081 8.563 1.00 0.00 C ATOM 1176 CD2 PHE A 76 5.721 2.105 6.343 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.566 2.134 8.890 1.00 0.00 C ATOM 1178 CE2 PHE A 76 4.724 1.170 6.668 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.149 1.179 7.946 1.00 0.00 C ATOM 0 H PHE A 76 8.783 5.870 6.833 1.00 0.00 H new ATOM 0 HA PHE A 76 8.311 3.986 8.805 1.00 0.00 H new ATOM 0 HB2 PHE A 76 6.806 5.052 7.006 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.485 3.902 5.872 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.855 3.826 9.285 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.159 2.099 5.356 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.123 2.142 9.875 1.00 0.00 H new ATOM 0 HE2 PHE A 76 4.401 0.446 5.935 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.389 0.456 8.204 1.00 0.00 H new ATOM 1189 N ALA A 77 9.962 2.747 6.206 1.00 0.00 N ATOM 1190 CA ALA A 77 10.720 1.620 5.697 1.00 0.00 C ATOM 1191 C ALA A 77 11.909 1.313 6.607 1.00 0.00 C ATOM 1192 O ALA A 77 12.010 0.206 7.152 1.00 0.00 O ATOM 1193 CB ALA A 77 11.164 1.912 4.260 1.00 0.00 C ATOM 0 H ALA A 77 9.943 3.540 5.565 1.00 0.00 H new ATOM 0 HA ALA A 77 10.088 0.732 5.687 1.00 0.00 H new ATOM 0 HB1 ALA A 77 11.734 1.066 3.876 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.287 2.073 3.634 1.00 0.00 H new ATOM 0 HB3 ALA A 77 11.788 2.806 4.246 1.00 0.00 H new ATOM 1199 N LYS A 78 12.794 2.298 6.797 1.00 0.00 N ATOM 1200 CA LYS A 78 13.998 2.147 7.599 1.00 0.00 C ATOM 1201 C LYS A 78 13.613 1.769 9.026 1.00 0.00 C ATOM 1202 O LYS A 78 14.185 0.819 9.564 1.00 0.00 O ATOM 1203 CB LYS A 78 14.855 3.427 7.511 1.00 0.00 C ATOM 1204 CG LYS A 78 16.056 3.299 6.543 1.00 0.00 C ATOM 1205 CD LYS A 78 15.816 3.846 5.115 1.00 0.00 C ATOM 1206 CE LYS A 78 16.669 5.064 4.724 1.00 0.00 C ATOM 1207 NZ LYS A 78 18.120 4.922 5.002 1.00 0.00 N ATOM 0 H LYS A 78 12.687 3.228 6.392 1.00 0.00 H new ATOM 0 HA LYS A 78 14.617 1.337 7.213 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.225 4.256 7.188 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.225 3.677 8.506 1.00 0.00 H new ATOM 0 HG2 LYS A 78 16.908 3.823 6.976 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.332 2.247 6.470 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.007 3.045 4.401 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.764 4.114 5.019 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.534 5.258 3.660 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.295 5.938 5.257 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.661 5.490 4.320 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.323 5.254 5.967 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.394 3.923 4.915 1.00 0.00 H new ATOM 1221 N LYS A 79 12.600 2.423 9.599 1.00 0.00 N ATOM 1222 CA LYS A 79 12.011 2.103 10.895 1.00 0.00 C ATOM 1223 C LYS A 79 11.758 0.601 11.029 1.00 0.00 C ATOM 1224 O LYS A 79 12.267 -0.011 11.968 1.00 0.00 O ATOM 1225 CB LYS A 79 10.763 2.978 11.068 1.00 0.00 C ATOM 1226 CG LYS A 79 9.987 2.760 12.367 1.00 0.00 C ATOM 1227 CD LYS A 79 8.833 3.770 12.489 1.00 0.00 C ATOM 1228 CE LYS A 79 7.499 3.102 12.164 1.00 0.00 C ATOM 1229 NZ LYS A 79 6.332 3.965 12.439 1.00 0.00 N ATOM 0 H LYS A 79 12.151 3.222 9.152 1.00 0.00 H new ATOM 0 HA LYS A 79 12.695 2.332 11.712 1.00 0.00 H new ATOM 0 HB2 LYS A 79 11.063 4.025 11.015 1.00 0.00 H new ATOM 0 HB3 LYS A 79 10.092 2.795 10.228 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.592 1.744 12.394 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.659 2.864 13.219 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.805 4.178 13.499 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.002 4.607 11.811 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.491 2.815 11.112 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.409 2.184 12.745 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.458 3.455 12.198 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.318 4.219 13.447 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.397 4.830 11.865 1.00 0.00 H new ATOM 1243 N HIS A 80 11.010 -0.012 10.108 1.00 0.00 N ATOM 1244 CA HIS A 80 10.633 -1.419 10.224 1.00 0.00 C ATOM 1245 C HIS A 80 11.774 -2.388 9.898 1.00 0.00 C ATOM 1246 O HIS A 80 11.590 -3.585 10.117 1.00 0.00 O ATOM 1247 CB HIS A 80 9.444 -1.718 9.312 1.00 0.00 C ATOM 1248 CG HIS A 80 8.166 -1.062 9.763 1.00 0.00 C ATOM 1249 ND1 HIS A 80 7.983 0.281 9.956 1.00 0.00 N ATOM 1250 CD2 HIS A 80 6.983 -1.682 10.058 1.00 0.00 C ATOM 1251 CE1 HIS A 80 6.741 0.455 10.414 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.079 -0.705 10.476 1.00 0.00 N ATOM 0 H HIS A 80 10.653 0.448 9.271 1.00 0.00 H new ATOM 0 HA HIS A 80 10.369 -1.577 11.270 1.00 0.00 H new ATOM 0 HB2 HIS A 80 9.678 -1.385 8.301 1.00 0.00 H new ATOM 0 HB3 HIS A 80 9.293 -2.797 9.265 1.00 0.00 H new ATOM 0 HD1 HIS A 80 8.670 1.015 9.782 1.00 0.00 H new ATOM 0 HD2 HIS A 80 6.784 -2.741 9.981 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.325 1.410 10.698 1.00 0.00 H new ATOM 1260 N GLY A 81 12.929 -1.928 9.398 1.00 0.00 N ATOM 1261 CA GLY A 81 14.082 -2.781 9.099 1.00 0.00 C ATOM 1262 C GLY A 81 14.324 -3.028 7.612 1.00 0.00 C ATOM 1263 O GLY A 81 15.152 -3.874 7.268 1.00 0.00 O ATOM 0 H GLY A 81 13.088 -0.943 9.188 1.00 0.00 H new ATOM 0 HA2 GLY A 81 14.975 -2.326 9.528 1.00 0.00 H new ATOM 0 HA3 GLY A 81 13.945 -3.742 9.595 1.00 0.00 H new ATOM 1267 N ALA A 82 13.607 -2.348 6.708 1.00 0.00 N ATOM 1268 CA ALA A 82 13.903 -2.490 5.288 1.00 0.00 C ATOM 1269 C ALA A 82 15.307 -1.948 5.014 1.00 0.00 C ATOM 1270 O ALA A 82 15.824 -1.125 5.776 1.00 0.00 O ATOM 1271 CB ALA A 82 12.850 -1.766 4.447 1.00 0.00 C ATOM 0 H ALA A 82 12.840 -1.713 6.931 1.00 0.00 H new ATOM 0 HA ALA A 82 13.873 -3.543 5.009 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.086 -1.882 3.389 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.867 -2.193 4.648 1.00 0.00 H new ATOM 0 HB3 ALA A 82 12.845 -0.707 4.703 1.00 0.00 H new ATOM 1277 N ASP A 83 15.912 -2.361 3.903 1.00 0.00 N ATOM 1278 CA ASP A 83 17.249 -1.903 3.518 1.00 0.00 C ATOM 1279 C ASP A 83 17.177 -0.532 2.857 1.00 0.00 C ATOM 1280 O ASP A 83 16.095 -0.051 2.509 1.00 0.00 O ATOM 1281 CB ASP A 83 17.957 -2.860 2.541 1.00 0.00 C ATOM 1282 CG ASP A 83 17.502 -4.306 2.570 1.00 0.00 C ATOM 1283 OD1 ASP A 83 18.007 -5.100 3.393 1.00 0.00 O ATOM 1284 OD2 ASP A 83 16.649 -4.694 1.745 1.00 0.00 O ATOM 0 H ASP A 83 15.494 -3.019 3.246 1.00 0.00 H new ATOM 0 HA ASP A 83 17.824 -1.864 4.443 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.821 -2.479 1.529 1.00 0.00 H new ATOM 0 HB3 ASP A 83 19.026 -2.833 2.750 1.00 0.00 H new ATOM 1289 N GLU A 84 18.341 0.069 2.621 1.00 0.00 N ATOM 1290 CA GLU A 84 18.493 1.294 1.858 1.00 0.00 C ATOM 1291 C GLU A 84 18.008 1.041 0.425 1.00 0.00 C ATOM 1292 O GLU A 84 17.115 1.735 -0.064 1.00 0.00 O ATOM 1293 CB GLU A 84 19.975 1.731 1.900 1.00 0.00 C ATOM 1294 CG GLU A 84 20.194 3.192 2.312 1.00 0.00 C ATOM 1295 CD GLU A 84 20.125 4.241 1.196 1.00 0.00 C ATOM 1296 OE1 GLU A 84 19.155 4.273 0.407 1.00 0.00 O ATOM 1297 OE2 GLU A 84 20.991 5.147 1.185 1.00 0.00 O ATOM 0 H GLU A 84 19.227 -0.298 2.968 1.00 0.00 H new ATOM 0 HA GLU A 84 17.895 2.101 2.282 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.512 1.086 2.596 1.00 0.00 H new ATOM 0 HB3 GLU A 84 20.415 1.574 0.915 1.00 0.00 H new ATOM 0 HG2 GLU A 84 19.449 3.448 3.066 1.00 0.00 H new ATOM 0 HG3 GLU A 84 21.171 3.268 2.790 1.00 0.00 H new ATOM 1304 N THR A 85 18.549 -0.004 -0.213 1.00 0.00 N ATOM 1305 CA THR A 85 18.294 -0.354 -1.611 1.00 0.00 C ATOM 1306 C THR A 85 16.792 -0.573 -1.800 1.00 0.00 C ATOM 1307 O THR A 85 16.155 0.030 -2.669 1.00 0.00 O ATOM 1308 CB THR A 85 19.102 -1.618 -1.983 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.451 -1.514 -1.548 1.00 0.00 O ATOM 1310 CG2 THR A 85 19.119 -1.886 -3.490 1.00 0.00 C ATOM 0 H THR A 85 19.195 -0.647 0.245 1.00 0.00 H new ATOM 0 HA THR A 85 18.612 0.453 -2.271 1.00 0.00 H new ATOM 0 HB THR A 85 18.598 -2.443 -1.479 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.938 -2.328 -1.795 1.00 0.00 H new ATOM 0 HG21 THR A 85 19.701 -2.785 -3.693 1.00 0.00 H new ATOM 0 HG22 THR A 85 18.098 -2.026 -3.846 1.00 0.00 H new ATOM 0 HG23 THR A 85 19.570 -1.038 -4.005 1.00 0.00 H new ATOM 1318 N MET A 86 16.227 -1.404 -0.921 1.00 0.00 N ATOM 1319 CA MET A 86 14.821 -1.738 -0.903 1.00 0.00 C ATOM 1320 C MET A 86 13.974 -0.486 -0.702 1.00 0.00 C ATOM 1321 O MET A 86 13.016 -0.289 -1.434 1.00 0.00 O ATOM 1322 CB MET A 86 14.584 -2.801 0.178 1.00 0.00 C ATOM 1323 CG MET A 86 13.099 -2.981 0.528 1.00 0.00 C ATOM 1324 SD MET A 86 12.536 -4.691 0.781 1.00 0.00 S ATOM 1325 CE MET A 86 13.256 -5.016 2.403 1.00 0.00 C ATOM 0 H MET A 86 16.759 -1.870 -0.186 1.00 0.00 H new ATOM 0 HA MET A 86 14.515 -2.156 -1.862 1.00 0.00 H new ATOM 0 HB2 MET A 86 14.989 -3.754 -0.162 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.133 -2.524 1.078 1.00 0.00 H new ATOM 0 HG2 MET A 86 12.889 -2.414 1.435 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.503 -2.538 -0.270 1.00 0.00 H new ATOM 0 HE1 MET A 86 12.838 -5.937 2.809 1.00 0.00 H new ATOM 0 HE2 MET A 86 14.337 -5.119 2.307 1.00 0.00 H new ATOM 0 HE3 MET A 86 13.029 -4.188 3.074 1.00 0.00 H new ATOM 1335 N ALA A 87 14.266 0.366 0.281 1.00 0.00 N ATOM 1336 CA ALA A 87 13.438 1.544 0.509 1.00 0.00 C ATOM 1337 C ALA A 87 13.519 2.550 -0.626 1.00 0.00 C ATOM 1338 O ALA A 87 12.512 3.204 -0.901 1.00 0.00 O ATOM 1339 CB ALA A 87 13.719 2.116 1.879 1.00 0.00 C ATOM 0 H ALA A 87 15.055 0.264 0.920 1.00 0.00 H new ATOM 0 HA ALA A 87 12.391 1.242 0.505 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.096 2.996 2.041 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.494 1.368 2.639 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.770 2.398 1.947 1.00 0.00 H new ATOM 1345 N GLN A 88 14.648 2.627 -1.332 1.00 0.00 N ATOM 1346 CA GLN A 88 14.689 3.399 -2.556 1.00 0.00 C ATOM 1347 C GLN A 88 13.683 2.821 -3.550 1.00 0.00 C ATOM 1348 O GLN A 88 12.881 3.581 -4.082 1.00 0.00 O ATOM 1349 CB GLN A 88 16.111 3.454 -3.128 1.00 0.00 C ATOM 1350 CG GLN A 88 16.170 4.199 -4.468 1.00 0.00 C ATOM 1351 CD GLN A 88 15.839 5.678 -4.303 1.00 0.00 C ATOM 1352 OE1 GLN A 88 16.725 6.507 -4.117 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.561 6.022 -4.348 1.00 0.00 N ATOM 0 H GLN A 88 15.525 2.172 -1.078 1.00 0.00 H new ATOM 0 HA GLN A 88 14.406 4.430 -2.346 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.770 3.946 -2.412 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.486 2.439 -3.262 1.00 0.00 H new ATOM 0 HG2 GLN A 88 17.165 4.094 -4.900 1.00 0.00 H new ATOM 0 HG3 GLN A 88 15.469 3.745 -5.169 1.00 0.00 H new ATOM 0 HE21 GLN A 88 13.847 5.311 -4.504 1.00 0.00 H new ATOM 0 HE22 GLN A 88 14.291 6.998 -4.227 1.00 0.00 H new ATOM 1362 N GLN A 89 13.712 1.512 -3.799 1.00 0.00 N ATOM 1363 CA GLN A 89 12.795 0.815 -4.696 1.00 0.00 C ATOM 1364 C GLN A 89 11.331 1.024 -4.288 1.00 0.00 C ATOM 1365 O GLN A 89 10.478 1.283 -5.135 1.00 0.00 O ATOM 1366 CB GLN A 89 13.159 -0.679 -4.682 1.00 0.00 C ATOM 1367 CG GLN A 89 14.192 -1.039 -5.749 1.00 0.00 C ATOM 1368 CD GLN A 89 14.710 -2.448 -5.592 1.00 0.00 C ATOM 1369 OE1 GLN A 89 15.072 -2.898 -4.510 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.835 -3.162 -6.684 1.00 0.00 N ATOM 0 H GLN A 89 14.396 0.890 -3.368 1.00 0.00 H new ATOM 0 HA GLN A 89 12.896 1.220 -5.703 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.548 -0.946 -3.699 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.257 -1.271 -4.839 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.745 -0.926 -6.737 1.00 0.00 H new ATOM 0 HG3 GLN A 89 15.026 -0.339 -5.695 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.532 -2.781 -7.580 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.236 -4.099 -6.638 1.00 0.00 H new ATOM 1379 N LEU A 90 11.022 0.920 -2.995 1.00 0.00 N ATOM 1380 CA LEU A 90 9.669 1.076 -2.456 1.00 0.00 C ATOM 1381 C LEU A 90 9.109 2.479 -2.669 1.00 0.00 C ATOM 1382 O LEU A 90 7.896 2.653 -2.561 1.00 0.00 O ATOM 1383 CB LEU A 90 9.630 0.739 -0.957 1.00 0.00 C ATOM 1384 CG LEU A 90 9.896 -0.738 -0.613 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.231 -0.852 0.875 1.00 0.00 C ATOM 1386 CD2 LEU A 90 8.707 -1.650 -0.924 1.00 0.00 C ATOM 0 H LEU A 90 11.719 0.721 -2.278 1.00 0.00 H new ATOM 0 HA LEU A 90 9.042 0.375 -3.008 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.368 1.354 -0.443 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.653 1.017 -0.563 1.00 0.00 H new ATOM 0 HG LEU A 90 10.728 -1.067 -1.235 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.421 -1.896 1.126 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.119 -0.259 1.095 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.393 -0.483 1.466 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.957 -2.677 -0.659 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.840 -1.328 -0.347 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.475 -1.596 -1.988 1.00 0.00 H new ATOM 1398 N ILE A 91 9.942 3.469 -2.980 1.00 0.00 N ATOM 1399 CA ILE A 91 9.499 4.764 -3.447 1.00 0.00 C ATOM 1400 C ILE A 91 9.618 4.841 -4.961 1.00 0.00 C ATOM 1401 O ILE A 91 8.699 5.351 -5.577 1.00 0.00 O ATOM 1402 CB ILE A 91 10.223 5.876 -2.654 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.476 6.051 -1.311 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.244 7.217 -3.407 1.00 0.00 C ATOM 1405 CD1 ILE A 91 9.974 5.144 -0.180 1.00 0.00 C ATOM 0 H ILE A 91 10.956 3.385 -2.911 1.00 0.00 H new ATOM 0 HA ILE A 91 8.439 4.920 -3.248 1.00 0.00 H new ATOM 0 HB ILE A 91 11.262 5.582 -2.505 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.567 7.090 -0.993 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.415 5.859 -1.473 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.764 7.963 -2.806 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.761 7.092 -4.358 1.00 0.00 H new ATOM 0 HG23 ILE A 91 9.222 7.547 -3.591 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.393 5.335 0.722 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.857 4.100 -0.472 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.026 5.350 0.015 1.00 0.00 H new ATOM 1417 N ASP A 92 10.674 4.339 -5.587 1.00 0.00 N ATOM 1418 CA ASP A 92 10.894 4.447 -7.028 1.00 0.00 C ATOM 1419 C ASP A 92 9.713 3.865 -7.814 1.00 0.00 C ATOM 1420 O ASP A 92 9.200 4.495 -8.747 1.00 0.00 O ATOM 1421 CB ASP A 92 12.214 3.736 -7.377 1.00 0.00 C ATOM 1422 CG ASP A 92 12.743 4.037 -8.778 1.00 0.00 C ATOM 1423 OD1 ASP A 92 12.056 4.698 -9.587 1.00 0.00 O ATOM 1424 OD2 ASP A 92 13.921 3.702 -9.043 1.00 0.00 O ATOM 0 H ASP A 92 11.417 3.836 -5.101 1.00 0.00 H new ATOM 0 HA ASP A 92 10.967 5.497 -7.311 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.971 4.023 -6.647 1.00 0.00 H new ATOM 0 HB3 ASP A 92 12.069 2.660 -7.280 1.00 0.00 H new ATOM 1429 N ILE A 93 9.235 2.694 -7.383 1.00 0.00 N ATOM 1430 CA ILE A 93 8.111 1.995 -7.982 1.00 0.00 C ATOM 1431 C ILE A 93 6.821 2.778 -7.683 1.00 0.00 C ATOM 1432 O ILE A 93 6.076 3.102 -8.610 1.00 0.00 O ATOM 1433 CB ILE A 93 8.078 0.528 -7.474 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.393 -0.237 -7.780 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.907 -0.235 -8.113 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.600 -1.516 -6.956 1.00 0.00 C ATOM 0 H ILE A 93 9.635 2.199 -6.586 1.00 0.00 H new ATOM 0 HA ILE A 93 8.211 1.942 -9.066 1.00 0.00 H new ATOM 0 HB ILE A 93 7.955 0.579 -6.392 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.408 -0.497 -8.838 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.235 0.432 -7.604 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.898 -1.261 -7.746 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.968 0.252 -7.850 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.023 -0.238 -9.197 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.544 -1.982 -7.238 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.622 -1.266 -5.895 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.781 -2.209 -7.149 1.00 0.00 H new ATOM 1448 N VAL A 94 6.548 3.077 -6.408 1.00 0.00 N ATOM 1449 CA VAL A 94 5.313 3.726 -5.959 1.00 0.00 C ATOM 1450 C VAL A 94 5.169 5.099 -6.619 1.00 0.00 C ATOM 1451 O VAL A 94 4.203 5.339 -7.350 1.00 0.00 O ATOM 1452 CB VAL A 94 5.282 3.780 -4.413 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.085 4.580 -3.893 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.143 2.356 -3.870 1.00 0.00 C ATOM 0 H VAL A 94 7.193 2.870 -5.645 1.00 0.00 H new ATOM 0 HA VAL A 94 4.446 3.144 -6.270 1.00 0.00 H new ATOM 0 HB VAL A 94 6.204 4.259 -4.084 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.102 4.593 -2.803 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.139 5.602 -4.269 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.160 4.116 -4.236 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.120 2.383 -2.781 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.219 1.913 -4.242 1.00 0.00 H new ATOM 0 HG23 VAL A 94 5.991 1.756 -4.201 1.00 0.00 H new ATOM 1464 N HIS A 95 6.180 5.950 -6.421 1.00 0.00 N ATOM 1465 CA HIS A 95 6.263 7.296 -6.954 1.00 0.00 C ATOM 1466 C HIS A 95 6.013 7.232 -8.468 1.00 0.00 C ATOM 1467 O HIS A 95 5.333 8.083 -9.028 1.00 0.00 O ATOM 1468 CB HIS A 95 7.666 7.883 -6.699 1.00 0.00 C ATOM 1469 CG HIS A 95 7.872 9.336 -7.066 1.00 0.00 C ATOM 1470 ND1 HIS A 95 9.077 9.996 -7.018 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.940 10.242 -7.496 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.871 11.273 -7.372 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.591 11.458 -7.731 1.00 0.00 N ATOM 0 H HIS A 95 6.994 5.700 -5.859 1.00 0.00 H new ATOM 0 HA HIS A 95 5.521 7.929 -6.467 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.898 7.763 -5.641 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.390 7.286 -7.253 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.974 9.585 -6.758 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.886 10.051 -7.630 1.00 0.00 H new ATOM 0 HE1 HIS A 95 9.628 12.043 -7.369 1.00 0.00 H new ATOM 1481 N GLY A 96 6.596 6.234 -9.146 1.00 0.00 N ATOM 1482 CA GLY A 96 6.484 6.010 -10.579 1.00 0.00 C ATOM 1483 C GLY A 96 5.035 5.938 -11.044 1.00 0.00 C ATOM 1484 O GLY A 96 4.666 6.646 -11.983 1.00 0.00 O ATOM 0 H GLY A 96 7.181 5.537 -8.685 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.994 6.814 -11.111 1.00 0.00 H new ATOM 0 HA3 GLY A 96 6.993 5.082 -10.840 1.00 0.00 H new ATOM 1488 N CYS A 97 4.228 5.086 -10.416 1.00 0.00 N ATOM 1489 CA CYS A 97 2.817 4.907 -10.725 1.00 0.00 C ATOM 1490 C CYS A 97 1.971 6.113 -10.348 1.00 0.00 C ATOM 1491 O CYS A 97 1.040 6.369 -11.094 1.00 0.00 O ATOM 1492 CB CYS A 97 2.324 3.627 -10.076 1.00 0.00 C ATOM 1493 SG CYS A 97 2.694 2.167 -11.078 1.00 0.00 S ATOM 0 H CYS A 97 4.550 4.485 -9.657 1.00 0.00 H new ATOM 0 HA CYS A 97 2.710 4.819 -11.806 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.785 3.518 -9.094 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.248 3.693 -9.917 1.00 0.00 H new ATOM 1498 N GLU A 98 2.280 6.907 -9.320 1.00 0.00 N ATOM 1499 CA GLU A 98 1.445 8.033 -8.880 1.00 0.00 C ATOM 1500 C GLU A 98 1.060 9.052 -9.971 1.00 0.00 C ATOM 1501 O GLU A 98 0.151 9.855 -9.754 1.00 0.00 O ATOM 1502 CB GLU A 98 2.143 8.750 -7.710 1.00 0.00 C ATOM 1503 CG GLU A 98 1.362 8.640 -6.386 1.00 0.00 C ATOM 1504 CD GLU A 98 2.011 7.790 -5.296 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.243 7.896 -5.109 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.239 7.099 -4.592 1.00 0.00 O ATOM 0 H GLU A 98 3.125 6.787 -8.762 1.00 0.00 H new ATOM 0 HA GLU A 98 0.496 7.590 -8.576 1.00 0.00 H new ATOM 0 HB2 GLU A 98 3.139 8.328 -7.574 1.00 0.00 H new ATOM 0 HB3 GLU A 98 2.274 9.802 -7.962 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.209 9.645 -5.993 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.376 8.228 -6.602 1.00 0.00 H new ATOM 1513 N LYS A 99 1.724 9.042 -11.129 1.00 0.00 N ATOM 1514 CA LYS A 99 1.419 9.870 -12.293 1.00 0.00 C ATOM 1515 C LYS A 99 1.285 9.065 -13.583 1.00 0.00 C ATOM 1516 O LYS A 99 0.552 9.470 -14.484 1.00 0.00 O ATOM 1517 CB LYS A 99 2.453 10.995 -12.437 1.00 0.00 C ATOM 1518 CG LYS A 99 3.953 10.643 -12.447 1.00 0.00 C ATOM 1519 CD LYS A 99 4.496 10.102 -11.110 1.00 0.00 C ATOM 1520 CE LYS A 99 5.921 10.558 -10.771 1.00 0.00 C ATOM 1521 NZ LYS A 99 5.934 11.876 -10.105 1.00 0.00 N ATOM 0 H LYS A 99 2.524 8.429 -11.286 1.00 0.00 H new ATOM 0 HA LYS A 99 0.440 10.315 -12.118 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.234 11.524 -13.364 1.00 0.00 H new ATOM 0 HB3 LYS A 99 2.287 11.699 -11.622 1.00 0.00 H new ATOM 0 HG2 LYS A 99 4.133 9.900 -13.224 1.00 0.00 H new ATOM 0 HG3 LYS A 99 4.519 11.533 -12.720 1.00 0.00 H new ATOM 0 HD2 LYS A 99 3.828 10.415 -10.308 1.00 0.00 H new ATOM 0 HD3 LYS A 99 4.474 9.013 -11.137 1.00 0.00 H new ATOM 0 HE2 LYS A 99 6.394 9.820 -10.124 1.00 0.00 H new ATOM 0 HE3 LYS A 99 6.513 10.607 -11.685 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.643 11.874 -9.344 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 6.173 12.613 -10.799 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.995 12.071 -9.702 1.00 0.00 H new ATOM 1535 N SER A 100 1.990 7.942 -13.691 1.00 0.00 N ATOM 1536 CA SER A 100 1.838 6.995 -14.786 1.00 0.00 C ATOM 1537 C SER A 100 0.458 6.335 -14.792 1.00 0.00 C ATOM 1538 O SER A 100 -0.209 6.338 -15.828 1.00 0.00 O ATOM 1539 CB SER A 100 2.929 5.934 -14.677 1.00 0.00 C ATOM 1540 OG SER A 100 4.028 6.288 -15.496 1.00 0.00 O ATOM 0 H SER A 100 2.694 7.662 -13.008 1.00 0.00 H new ATOM 0 HA SER A 100 1.933 7.541 -15.725 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.253 5.838 -13.641 1.00 0.00 H new ATOM 0 HB3 SER A 100 2.536 4.963 -14.980 1.00 0.00 H new ATOM 0 HG SER A 100 4.726 5.604 -15.421 1.00 0.00 H new ATOM 1546 N THR A 101 0.052 5.751 -13.665 1.00 0.00 N ATOM 1547 CA THR A 101 -1.135 4.928 -13.529 1.00 0.00 C ATOM 1548 C THR A 101 -2.365 5.711 -14.002 1.00 0.00 C ATOM 1549 O THR A 101 -2.698 6.735 -13.400 1.00 0.00 O ATOM 1550 CB THR A 101 -1.222 4.491 -12.063 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.373 3.389 -11.825 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.606 4.027 -11.651 1.00 0.00 C ATOM 0 H THR A 101 0.567 5.846 -12.790 1.00 0.00 H new ATOM 0 HA THR A 101 -1.089 4.036 -14.153 1.00 0.00 H new ATOM 0 HB THR A 101 -0.941 5.376 -11.492 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.554 3.023 -10.934 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.594 3.733 -10.602 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.319 4.839 -11.792 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.901 3.175 -12.263 1.00 0.00 H new ATOM 1560 N PRO A 102 -3.050 5.259 -15.062 1.00 0.00 N ATOM 1561 CA PRO A 102 -4.254 5.904 -15.531 1.00 0.00 C ATOM 1562 C PRO A 102 -5.390 5.553 -14.582 1.00 0.00 C ATOM 1563 O PRO A 102 -5.638 4.378 -14.279 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.466 5.383 -16.947 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.843 3.989 -16.924 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.798 4.040 -15.811 1.00 0.00 C ATOM 0 HA PRO A 102 -4.198 6.992 -15.552 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.525 5.343 -17.203 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.983 6.024 -17.685 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.594 3.225 -16.725 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -3.386 3.745 -17.883 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.876 3.165 -15.165 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.790 4.041 -16.226 1.00 0.00 H new ATOM 1574 N ALA A 103 -6.096 6.578 -14.123 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.224 6.465 -13.218 1.00 0.00 C ATOM 1576 C ALA A 103 -8.314 7.437 -13.648 1.00 0.00 C ATOM 1577 O ALA A 103 -8.090 8.280 -14.522 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.746 6.758 -11.797 1.00 0.00 C ATOM 0 H ALA A 103 -5.889 7.543 -14.382 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.639 5.458 -13.244 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.586 6.676 -11.107 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.975 6.040 -11.517 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -6.336 7.767 -11.752 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.496 7.321 -13.047 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.486 8.393 -13.117 1.00 0.00 C ATOM 1586 C ASN A 104 -10.085 9.434 -12.075 1.00 0.00 C ATOM 1587 O ASN A 104 -9.117 9.240 -11.338 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.934 7.930 -12.911 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.132 6.486 -13.281 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -11.905 6.059 -14.406 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -12.466 5.696 -12.292 1.00 0.00 N ATOM 0 H ASN A 104 -9.790 6.504 -12.511 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.482 8.806 -14.126 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -12.215 8.077 -11.868 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.600 8.551 -13.511 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.544 4.691 -12.446 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -12.648 6.086 -11.367 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.908 10.463 -11.888 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.782 11.352 -10.731 1.00 0.00 C ATOM 1600 C ASP A 105 -11.056 10.625 -9.408 1.00 0.00 C ATOM 1601 O ASP A 105 -10.917 11.216 -8.339 1.00 0.00 O ATOM 1602 CB ASP A 105 -11.701 12.568 -10.896 1.00 0.00 C ATOM 1603 CG ASP A 105 -10.939 13.866 -10.674 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -10.103 14.212 -11.535 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -11.152 14.563 -9.661 1.00 0.00 O ATOM 0 H ASP A 105 -11.670 10.704 -12.522 1.00 0.00 H new ATOM 0 HA ASP A 105 -9.749 11.696 -10.689 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.137 12.565 -11.895 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.527 12.502 -10.188 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.475 9.352 -9.456 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.742 8.533 -8.288 1.00 0.00 C ATOM 1612 C ASP A 106 -10.419 8.199 -7.590 1.00 0.00 C ATOM 1613 O ASP A 106 -9.731 7.250 -7.967 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.478 7.252 -8.716 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.160 6.538 -7.551 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -12.860 6.809 -6.366 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.046 5.699 -7.833 1.00 0.00 O ATOM 0 H ASP A 106 -11.638 8.861 -10.335 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.377 9.076 -7.588 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.225 7.503 -9.469 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -11.768 6.572 -9.186 1.00 0.00 H new ATOM 1622 N LYS A 107 -10.028 8.969 -6.573 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.801 8.721 -5.801 1.00 0.00 C ATOM 1624 C LYS A 107 -8.717 7.298 -5.256 1.00 0.00 C ATOM 1625 O LYS A 107 -7.595 6.820 -5.082 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.686 9.674 -4.625 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.394 11.111 -5.065 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.924 11.431 -5.312 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.071 10.974 -4.137 1.00 0.00 C ATOM 1630 NZ LYS A 107 -5.014 11.938 -3.745 1.00 0.00 N ATOM 0 H LYS A 107 -10.552 9.785 -6.258 1.00 0.00 H new ATOM 0 HA LYS A 107 -7.984 8.879 -6.505 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.613 9.654 -4.052 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.893 9.332 -3.960 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -8.952 11.314 -5.979 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.774 11.791 -4.303 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.588 10.940 -6.225 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.800 12.503 -5.463 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -6.719 10.794 -3.280 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -5.604 10.022 -4.389 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -4.084 11.565 -4.023 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -5.180 12.847 -4.222 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -5.037 12.078 -2.715 1.00 0.00 H new ATOM 1644 N CYS A 108 -9.845 6.615 -4.996 1.00 0.00 N ATOM 1645 CA CYS A 108 -9.787 5.216 -4.591 1.00 0.00 C ATOM 1646 C CYS A 108 -9.142 4.409 -5.717 1.00 0.00 C ATOM 1647 O CYS A 108 -8.220 3.649 -5.452 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.162 4.611 -4.268 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.272 5.472 -3.123 1.00 0.00 S ATOM 0 H CYS A 108 -10.785 7.006 -5.059 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.202 5.173 -3.672 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -11.695 4.491 -5.211 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -10.993 3.611 -3.868 1.00 0.00 H new ATOM 1654 N ILE A 109 -9.632 4.573 -6.953 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.163 3.895 -8.163 1.00 0.00 C ATOM 1656 C ILE A 109 -7.701 4.241 -8.394 1.00 0.00 C ATOM 1657 O ILE A 109 -6.895 3.351 -8.641 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.011 4.297 -9.377 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -11.481 3.959 -9.101 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.537 3.682 -10.706 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -11.868 2.494 -9.043 1.00 0.00 C ATOM 0 H ILE A 109 -10.403 5.213 -7.142 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.263 2.818 -8.031 1.00 0.00 H new ATOM 0 HB ILE A 109 -9.891 5.372 -9.508 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -11.758 4.417 -8.151 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.085 4.435 -9.873 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.189 4.015 -11.514 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.515 4.000 -10.910 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.572 2.595 -10.637 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -12.936 2.407 -8.841 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -11.640 2.019 -9.997 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.307 2.001 -8.249 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.374 5.533 -8.311 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.037 6.046 -8.453 1.00 0.00 C ATOM 1675 C TRP A 110 -5.073 5.291 -7.551 1.00 0.00 C ATOM 1676 O TRP A 110 -4.195 4.577 -8.034 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.066 7.556 -8.189 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.737 8.163 -8.367 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -3.940 8.104 -9.452 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -3.976 8.791 -7.325 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.760 8.777 -9.180 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.717 9.185 -7.855 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.255 9.006 -5.965 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -1.768 9.823 -7.048 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.271 9.575 -5.143 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.032 9.984 -5.676 1.00 0.00 C ATOM 0 H TRP A 110 -8.065 6.263 -8.137 1.00 0.00 H new ATOM 0 HA TRP A 110 -5.668 5.891 -9.467 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.777 8.031 -8.865 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.419 7.742 -7.174 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.182 7.612 -10.382 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.022 8.949 -9.863 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.218 8.736 -5.556 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -0.845 10.187 -7.474 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -3.465 9.701 -4.088 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.285 10.421 -5.030 1.00 0.00 H new ATOM 1697 N THR A 111 -5.287 5.401 -6.246 1.00 0.00 N ATOM 1698 CA THR A 111 -4.443 4.802 -5.233 1.00 0.00 C ATOM 1699 C THR A 111 -4.403 3.266 -5.391 1.00 0.00 C ATOM 1700 O THR A 111 -3.365 2.650 -5.131 1.00 0.00 O ATOM 1701 CB THR A 111 -4.964 5.285 -3.867 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.143 6.688 -3.845 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.016 4.902 -2.735 1.00 0.00 C ATOM 0 H THR A 111 -6.073 5.923 -5.858 1.00 0.00 H new ATOM 0 HA THR A 111 -3.403 5.112 -5.332 1.00 0.00 H new ATOM 0 HB THR A 111 -5.925 4.793 -3.718 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.033 6.910 -4.191 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.418 5.260 -1.787 1.00 0.00 H new ATOM 0 HG22 THR A 111 -3.912 3.818 -2.699 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.040 5.354 -2.909 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.492 2.648 -5.877 1.00 0.00 N ATOM 1712 CA LEU A 112 -5.566 1.231 -6.234 1.00 0.00 C ATOM 1713 C LEU A 112 -4.573 0.890 -7.331 1.00 0.00 C ATOM 1714 O LEU A 112 -3.791 -0.043 -7.167 1.00 0.00 O ATOM 1715 CB LEU A 112 -6.987 0.845 -6.699 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.590 -0.248 -5.821 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -9.116 -0.239 -5.880 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -7.117 -1.642 -6.192 1.00 0.00 C ATOM 0 H LEU A 112 -6.371 3.141 -6.035 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.318 0.663 -5.337 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -7.629 1.726 -6.677 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -6.951 0.503 -7.733 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.246 -0.018 -4.813 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -9.509 -1.031 -5.243 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -9.488 0.725 -5.533 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -9.441 -0.405 -6.907 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -7.583 -2.372 -5.530 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -7.395 -1.858 -7.224 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -6.033 -1.698 -6.089 1.00 0.00 H new ATOM 1730 N GLY A 113 -4.608 1.610 -8.451 1.00 0.00 N ATOM 1731 CA GLY A 113 -3.734 1.363 -9.584 1.00 0.00 C ATOM 1732 C GLY A 113 -2.272 1.470 -9.164 1.00 0.00 C ATOM 1733 O GLY A 113 -1.482 0.586 -9.501 1.00 0.00 O ATOM 0 H GLY A 113 -5.252 2.388 -8.593 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -3.930 0.371 -9.992 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -3.944 2.081 -10.376 1.00 0.00 H new ATOM 1737 N VAL A 114 -1.930 2.497 -8.375 1.00 0.00 N ATOM 1738 CA VAL A 114 -0.587 2.648 -7.824 1.00 0.00 C ATOM 1739 C VAL A 114 -0.194 1.411 -6.998 1.00 0.00 C ATOM 1740 O VAL A 114 0.920 0.908 -7.134 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.464 3.968 -7.029 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.978 4.181 -6.553 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -0.860 5.215 -7.843 1.00 0.00 C ATOM 0 H VAL A 114 -2.575 3.239 -8.105 1.00 0.00 H new ATOM 0 HA VAL A 114 0.127 2.713 -8.645 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.154 3.860 -6.192 1.00 0.00 H new ATOM 0 HG11 VAL A 114 1.043 5.115 -5.996 1.00 0.00 H new ATOM 0 HG12 VAL A 114 1.275 3.353 -5.909 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.643 4.226 -7.415 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -0.750 6.105 -7.223 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.214 5.299 -8.717 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -1.897 5.124 -8.166 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.095 0.869 -6.174 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.797 -0.332 -5.403 1.00 0.00 C ATOM 1755 C ALA A 115 -0.699 -1.577 -6.294 1.00 0.00 C ATOM 1756 O ALA A 115 0.090 -2.474 -6.003 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.860 -0.531 -4.325 1.00 0.00 C ATOM 0 H ALA A 115 -2.032 1.244 -6.027 1.00 0.00 H new ATOM 0 HA ALA A 115 0.177 -0.195 -4.933 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.633 -1.430 -3.752 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.869 0.332 -3.659 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -2.838 -0.637 -4.794 1.00 0.00 H new ATOM 1763 N THR A 116 -1.478 -1.652 -7.374 1.00 0.00 N ATOM 1764 CA THR A 116 -1.589 -2.840 -8.206 1.00 0.00 C ATOM 1765 C THR A 116 -0.322 -3.037 -9.052 1.00 0.00 C ATOM 1766 O THR A 116 0.156 -4.172 -9.163 1.00 0.00 O ATOM 1767 CB THR A 116 -2.866 -2.737 -9.061 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.006 -2.449 -8.269 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.200 -4.058 -9.750 1.00 0.00 C ATOM 0 H THR A 116 -2.056 -0.875 -7.696 1.00 0.00 H new ATOM 0 HA THR A 116 -1.674 -3.727 -7.579 1.00 0.00 H new ATOM 0 HB THR A 116 -2.656 -1.946 -9.780 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.039 -1.488 -8.080 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.107 -3.940 -10.342 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.376 -4.347 -10.402 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.355 -4.832 -8.998 1.00 0.00 H new ATOM 1777 N CYS A 117 0.249 -1.972 -9.635 1.00 0.00 N ATOM 1778 CA CYS A 117 1.508 -2.078 -10.380 1.00 0.00 C ATOM 1779 C CYS A 117 2.629 -2.466 -9.422 1.00 0.00 C ATOM 1780 O CYS A 117 3.412 -3.373 -9.717 1.00 0.00 O ATOM 1781 CB CYS A 117 1.855 -0.772 -11.105 1.00 0.00 C ATOM 1782 SG CYS A 117 1.741 0.704 -10.069 1.00 0.00 S ATOM 0 H CYS A 117 -0.142 -1.030 -9.604 1.00 0.00 H new ATOM 0 HA CYS A 117 1.389 -2.848 -11.143 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.868 -0.847 -11.500 1.00 0.00 H new ATOM 0 HB3 CYS A 117 1.188 -0.655 -11.959 1.00 0.00 H new ATOM 1787 N PHE A 118 2.665 -1.789 -8.272 1.00 0.00 N ATOM 1788 CA PHE A 118 3.619 -1.981 -7.202 1.00 0.00 C ATOM 1789 C PHE A 118 3.603 -3.426 -6.720 1.00 0.00 C ATOM 1790 O PHE A 118 4.663 -4.043 -6.716 1.00 0.00 O ATOM 1791 CB PHE A 118 3.304 -0.967 -6.101 1.00 0.00 C ATOM 1792 CG PHE A 118 4.076 -1.101 -4.807 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.453 -0.809 -4.771 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.390 -1.397 -3.612 1.00 0.00 C ATOM 1795 CE1 PHE A 118 6.136 -0.761 -3.545 1.00 0.00 C ATOM 1796 CE2 PHE A 118 4.078 -1.337 -2.390 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.444 -1.018 -2.351 1.00 0.00 C ATOM 0 H PHE A 118 1.989 -1.055 -8.061 1.00 0.00 H new ATOM 0 HA PHE A 118 4.638 -1.803 -7.547 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.480 0.032 -6.499 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.241 -1.035 -5.871 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.987 -0.621 -5.691 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.345 -1.667 -3.636 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.190 -0.527 -3.521 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.550 -1.539 -1.470 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.962 -0.970 -1.404 1.00 0.00 H new ATOM 1807 N LYS A 119 2.437 -3.992 -6.370 1.00 0.00 N ATOM 1808 CA LYS A 119 2.308 -5.378 -5.907 1.00 0.00 C ATOM 1809 C LYS A 119 3.069 -6.313 -6.838 1.00 0.00 C ATOM 1810 O LYS A 119 3.923 -7.059 -6.375 1.00 0.00 O ATOM 1811 CB LYS A 119 0.829 -5.808 -5.794 1.00 0.00 C ATOM 1812 CG LYS A 119 0.703 -7.185 -5.107 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.614 -7.930 -5.381 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.530 -8.652 -6.735 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.703 -9.504 -7.022 1.00 0.00 N ATOM 0 H LYS A 119 1.549 -3.492 -6.402 1.00 0.00 H new ATOM 0 HA LYS A 119 2.741 -5.439 -4.909 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.272 -5.062 -5.226 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.382 -5.851 -6.787 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.533 -7.813 -5.431 1.00 0.00 H new ATOM 0 HG3 LYS A 119 0.808 -7.048 -4.031 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.808 -8.650 -4.586 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.447 -7.227 -5.384 1.00 0.00 H new ATOM 0 HE2 LYS A 119 -0.427 -7.911 -7.527 1.00 0.00 H new ATOM 0 HE3 LYS A 119 0.370 -9.267 -6.755 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.582 -9.961 -7.948 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -1.791 -10.233 -6.285 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -2.563 -8.919 -7.034 1.00 0.00 H new ATOM 1829 N ALA A 120 2.782 -6.265 -8.139 1.00 0.00 N ATOM 1830 CA ALA A 120 3.400 -7.175 -9.089 1.00 0.00 C ATOM 1831 C ALA A 120 4.930 -7.053 -9.090 1.00 0.00 C ATOM 1832 O ALA A 120 5.621 -8.057 -9.268 1.00 0.00 O ATOM 1833 CB ALA A 120 2.814 -6.913 -10.473 1.00 0.00 C ATOM 0 H ALA A 120 2.125 -5.604 -8.554 1.00 0.00 H new ATOM 0 HA ALA A 120 3.181 -8.201 -8.792 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.270 -7.590 -11.195 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.737 -7.079 -10.450 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.016 -5.882 -10.764 1.00 0.00 H new ATOM 1839 N GLU A 121 5.485 -5.855 -8.894 1.00 0.00 N ATOM 1840 CA GLU A 121 6.918 -5.666 -8.774 1.00 0.00 C ATOM 1841 C GLU A 121 7.455 -6.408 -7.543 1.00 0.00 C ATOM 1842 O GLU A 121 8.471 -7.088 -7.660 1.00 0.00 O ATOM 1843 CB GLU A 121 7.294 -4.173 -8.758 1.00 0.00 C ATOM 1844 CG GLU A 121 6.842 -3.397 -10.014 1.00 0.00 C ATOM 1845 CD GLU A 121 7.988 -3.021 -10.966 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.890 -3.850 -11.219 1.00 0.00 O ATOM 1847 OE2 GLU A 121 7.991 -1.898 -11.522 1.00 0.00 O ATOM 0 H GLU A 121 4.946 -4.993 -8.815 1.00 0.00 H new ATOM 0 HA GLU A 121 7.394 -6.096 -9.656 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.852 -3.707 -7.877 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.376 -4.083 -8.657 1.00 0.00 H new ATOM 0 HG2 GLU A 121 6.115 -4.000 -10.558 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.331 -2.487 -9.701 1.00 0.00 H new ATOM 1854 N ILE A 122 6.766 -6.367 -6.394 1.00 0.00 N ATOM 1855 CA ILE A 122 7.163 -7.093 -5.183 1.00 0.00 C ATOM 1856 C ILE A 122 7.287 -8.594 -5.492 1.00 0.00 C ATOM 1857 O ILE A 122 8.323 -9.201 -5.201 1.00 0.00 O ATOM 1858 CB ILE A 122 6.173 -6.795 -4.032 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.827 -5.300 -3.845 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.681 -7.299 -2.692 1.00 0.00 C ATOM 1861 CD1 ILE A 122 7.009 -4.326 -3.768 1.00 0.00 C ATOM 0 H ILE A 122 5.910 -5.824 -6.280 1.00 0.00 H new ATOM 0 HA ILE A 122 8.143 -6.752 -4.849 1.00 0.00 H new ATOM 0 HB ILE A 122 5.273 -7.326 -4.343 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.186 -4.993 -4.671 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.241 -5.198 -2.932 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.952 -7.067 -1.916 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.827 -8.378 -2.741 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.629 -6.815 -2.457 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.636 -3.310 -3.637 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.645 -4.591 -2.923 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.588 -4.383 -4.690 1.00 0.00 H new ATOM 1873 N HIS A 123 6.288 -9.158 -6.174 1.00 0.00 N ATOM 1874 CA HIS A 123 6.303 -10.555 -6.599 1.00 0.00 C ATOM 1875 C HIS A 123 7.539 -10.852 -7.460 1.00 0.00 C ATOM 1876 O HIS A 123 8.210 -11.867 -7.260 1.00 0.00 O ATOM 1877 CB HIS A 123 5.027 -10.916 -7.377 1.00 0.00 C ATOM 1878 CG HIS A 123 3.734 -10.942 -6.594 1.00 0.00 C ATOM 1879 ND1 HIS A 123 2.752 -11.893 -6.728 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.285 -10.034 -5.674 1.00 0.00 C ATOM 1881 CE1 HIS A 123 1.746 -11.564 -5.910 1.00 0.00 C ATOM 1882 NE2 HIS A 123 1.998 -10.411 -5.277 1.00 0.00 N ATOM 0 H HIS A 123 5.444 -8.655 -6.447 1.00 0.00 H new ATOM 0 HA HIS A 123 6.344 -11.168 -5.699 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.915 -10.203 -8.194 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.171 -11.898 -7.828 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.831 -9.174 -5.316 1.00 0.00 H new ATOM 0 HE1 HIS A 123 0.849 -12.151 -5.778 1.00 0.00 H new ATOM 0 HE2 HIS A 123 1.380 -9.911 -4.638 1.00 0.00 H new ATOM 1890 N LYS A 124 7.893 -9.974 -8.412 1.00 0.00 N ATOM 1891 CA LYS A 124 9.020 -10.133 -9.319 1.00 0.00 C ATOM 1892 C LYS A 124 10.298 -10.185 -8.498 1.00 0.00 C ATOM 1893 O LYS A 124 11.198 -10.979 -8.766 1.00 0.00 O ATOM 1894 CB LYS A 124 8.966 -8.980 -10.331 1.00 0.00 C ATOM 1895 CG LYS A 124 10.125 -8.018 -10.314 1.00 0.00 C ATOM 1896 CD LYS A 124 9.901 -6.726 -11.102 1.00 0.00 C ATOM 1897 CE LYS A 124 9.501 -6.939 -12.564 1.00 0.00 C ATOM 1898 NZ LYS A 124 9.407 -5.650 -13.277 1.00 0.00 N ATOM 0 H LYS A 124 7.379 -9.107 -8.569 1.00 0.00 H new ATOM 0 HA LYS A 124 8.985 -11.063 -9.886 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.891 -9.407 -11.331 1.00 0.00 H new ATOM 0 HB3 LYS A 124 8.051 -8.415 -10.156 1.00 0.00 H new ATOM 0 HG2 LYS A 124 10.350 -7.761 -9.279 1.00 0.00 H new ATOM 0 HG3 LYS A 124 11.004 -8.523 -10.715 1.00 0.00 H new ATOM 0 HD2 LYS A 124 9.125 -6.143 -10.607 1.00 0.00 H new ATOM 0 HD3 LYS A 124 10.815 -6.132 -11.071 1.00 0.00 H new ATOM 0 HE2 LYS A 124 10.233 -7.579 -13.056 1.00 0.00 H new ATOM 0 HE3 LYS A 124 8.543 -7.456 -12.611 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 8.637 -5.695 -13.975 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 9.212 -4.889 -12.595 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 10.305 -5.456 -13.764 1.00 0.00 H new ATOM 1912 N LEU A 125 10.352 -9.334 -7.474 1.00 0.00 N ATOM 1913 CA LEU A 125 11.505 -9.182 -6.613 1.00 0.00 C ATOM 1914 C LEU A 125 11.669 -10.409 -5.692 1.00 0.00 C ATOM 1915 O LEU A 125 12.629 -10.500 -4.922 1.00 0.00 O ATOM 1916 CB LEU A 125 11.392 -7.870 -5.803 1.00 0.00 C ATOM 1917 CG LEU A 125 11.500 -6.587 -6.654 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.931 -5.349 -5.963 1.00 0.00 C ATOM 1919 CD2 LEU A 125 12.955 -6.306 -6.999 1.00 0.00 C ATOM 0 H LEU A 125 9.575 -8.723 -7.222 1.00 0.00 H new ATOM 0 HA LEU A 125 12.401 -9.121 -7.230 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.438 -7.863 -5.276 1.00 0.00 H new ATOM 0 HB3 LEU A 125 12.175 -7.856 -5.045 1.00 0.00 H new ATOM 0 HG LEU A 125 10.908 -6.776 -7.549 1.00 0.00 H new ATOM 0 HD11 LEU A 125 11.040 -4.484 -6.618 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.875 -5.508 -5.744 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.471 -5.170 -5.033 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.018 -5.398 -7.599 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.528 -6.174 -6.081 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.363 -7.144 -7.564 1.00 0.00 H new ATOM 1931 N ASN A 126 10.723 -11.357 -5.764 1.00 0.00 N ATOM 1932 CA ASN A 126 10.484 -12.473 -4.855 1.00 0.00 C ATOM 1933 C ASN A 126 10.305 -11.996 -3.412 1.00 0.00 C ATOM 1934 O ASN A 126 10.497 -12.748 -2.454 1.00 0.00 O ATOM 1935 CB ASN A 126 11.539 -13.577 -5.040 1.00 0.00 C ATOM 1936 CG ASN A 126 11.086 -14.921 -4.473 1.00 0.00 C ATOM 1937 OD1 ASN A 126 9.932 -15.118 -4.106 1.00 0.00 O ATOM 1938 ND2 ASN A 126 11.973 -15.898 -4.447 1.00 0.00 N ATOM 0 H ASN A 126 10.049 -11.356 -6.530 1.00 0.00 H new ATOM 0 HA ASN A 126 9.533 -12.939 -5.114 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.759 -13.690 -6.101 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.466 -13.275 -4.552 1.00 0.00 H new ATOM 0 HD21 ASN A 126 11.701 -16.825 -4.120 1.00 0.00 H new ATOM 0 HD22 ASN A 126 12.930 -15.726 -4.754 1.00 0.00 H new ATOM 1945 N TRP A 127 9.919 -10.729 -3.235 1.00 0.00 N ATOM 1946 CA TRP A 127 9.601 -10.109 -1.954 1.00 0.00 C ATOM 1947 C TRP A 127 8.252 -10.592 -1.390 1.00 0.00 C ATOM 1948 O TRP A 127 7.847 -10.121 -0.327 1.00 0.00 O ATOM 1949 CB TRP A 127 9.661 -8.586 -2.108 1.00 0.00 C ATOM 1950 CG TRP A 127 11.004 -7.939 -2.245 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.187 -8.573 -2.361 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.312 -6.520 -2.388 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.200 -7.651 -2.492 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.720 -6.364 -2.528 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.534 -5.353 -2.489 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.322 -5.112 -2.719 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 11.116 -4.084 -2.651 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.509 -3.967 -2.768 1.00 0.00 C ATOM 0 H TRP A 127 9.816 -10.083 -4.018 1.00 0.00 H new ATOM 0 HA TRP A 127 10.344 -10.416 -1.218 1.00 0.00 H new ATOM 0 HB2 TRP A 127 9.071 -8.317 -2.984 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.166 -8.145 -1.243 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.320 -9.645 -2.352 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.189 -7.894 -2.555 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.458 -5.434 -2.441 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.393 -5.029 -2.827 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.493 -3.202 -2.685 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.958 -2.993 -2.896 1.00 0.00 H new ATOM 1969 N ALA A 128 7.678 -11.625 -2.014 1.00 0.00 N ATOM 1970 CA ALA A 128 6.408 -12.320 -1.855 1.00 0.00 C ATOM 1971 C ALA A 128 5.376 -11.797 -2.845 1.00 0.00 C ATOM 1972 O ALA A 128 5.622 -10.728 -3.442 1.00 0.00 O ATOM 1973 CB ALA A 128 5.808 -12.207 -0.455 1.00 0.00 C ATOM 0 H ALA A 128 8.195 -12.063 -2.777 1.00 0.00 H new ATOM 0 HA ALA A 128 6.641 -13.369 -2.039 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.864 -12.751 -0.419 1.00 0.00 H new ATOM 0 HB2 ALA A 128 6.500 -12.632 0.273 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.632 -11.158 -0.218 1.00 0.00 H new TER 1979 ALA A 128