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 70 HIS : no HD1:sc= -0.874 X(o=-0.74,f=-0.6) USER MOD Set 1.2: A 95 HIS : no HE2:sc= -0.997 K(o=-0.74,f=-1.2!) USER MOD Set 1.3: A 99 LYS NZ :NH3+ -164:sc= 1.13 (180deg=0.88) USER MOD Set 2.1: A 60 ASN : amide:sc= -2.07! K(o=-4.2!,f=-0.4) USER MOD Set 2.2: A 69 HIS : no HD1:sc= -0.345 K(o=-4.2,f=-2.5) USER MOD Set 2.3: A 72 ASN : amide:sc= -1.74! K(o=-4.2!,f=-0.74) USER MOD Single : A 1 SER N :NH3+ -111:sc= 0.178 (180deg=-0.00387) USER MOD Single : A 1 SER OG : rot 180:sc= 0 USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=-0.008) USER MOD Single : A 5 MET CE :methyl -174:sc= 0 (180deg=-0.0368) USER MOD Single : A 6 LYS NZ :NH3+ -176:sc= 0 (180deg=-0.00871) USER MOD Single : A 7 ASN : amide:sc= 0 X(o=0,f=-0.27) USER MOD Single : A 9 SER OG : rot 110:sc= 0.18 USER MOD Single : A 11 ASN : amide:sc= -0.0224 K(o=-0.022,f=-1) USER MOD Single : A 14 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 20 LYS NZ :NH3+ -167:sc= 1.2 (180deg=1.05) USER MOD Single : A 21 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 23 MET CE :methyl -161:sc= -0.263 (180deg=-1.04) USER MOD Single : A 24 THR OG1 : rot 180:sc= 0 USER MOD Single : A 26 THR OG1 : rot 180:sc= 0.00263 USER MOD Single : A 30 ASN : amide:sc= 0 X(o=0,f=-0.026) USER MOD Single : A 34 TYR OH : rot 180:sc= 0 USER MOD Single : A 35 ASN : amide:sc= 0.369 K(o=0.37,f=-2.4!) USER MOD Single : A 38 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 41 TYR OH : rot 28:sc= 1.06 USER MOD Single : A 44 LYS NZ :NH3+ -108:sc= 0.331 (180deg=-0.524) USER MOD Single : A 45 ASN : amide:sc= 0 X(o=0,f=-0.28) USER MOD Single : A 48 THR OG1 : rot -60:sc= 0.779 USER MOD Single : A 53 MET CE :methyl -161:sc=-0.00384 (180deg=-0.422) USER MOD Single : A 56 SER OG : rot 180:sc= 0 USER MOD Single : A 57 THR OG1 : rot 180:sc= 0 USER MOD Single : A 58 LYS NZ :NH3+ -146:sc= 1.27 (180deg=1.13) USER MOD Single : A 61 MET CE :methyl 152:sc= -0.032 (180deg=-0.16) USER MOD Single : A 67 ASN : amide:sc= -1.75! K(o=-1.7!,f=0) USER MOD Single : A 74 MET CE :methyl -107:sc= -0.312 (180deg=-1.69) USER MOD Single : A 78 LYS NZ :NH3+ 141:sc= -0.0617 (180deg=-0.941) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 80 HIS : no HE2:sc= -0.216 K(o=-0.22,f=-8.5!) USER MOD Single : A 85 THR OG1 : rot 180:sc= 0 USER MOD Single : A 86 MET CE :methyl -178:sc= -0.256 (180deg=-0.263) USER MOD Single : A 88 GLN : amide:sc= -3.22! K(o=-3.2!,f=-1.3) USER MOD Single : A 89 GLN : amide:sc= -0.253 X(o=-0.25,f=-0.25) USER MOD Single : A 100 SER OG : rot 157:sc= 0.181 USER MOD Single : A 101 THR OG1 : rot -174:sc= 0.271 USER MOD Single : A 104 ASN : amide:sc= -0.0267 X(o=-0.027,f=-0.021) USER MOD Single : A 107 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 111 THR OG1 : rot 78:sc= 0.858 USER MOD Single : A 116 THR OG1 : rot 68:sc= 0.587 USER MOD Single : A 119 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 123 HIS : no HE2:sc= -1.34 K(o=-1.3,f=-2!) USER MOD Single : A 124 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 126 ASN : amide:sc= -0.0963 X(o=-0.096,f=-0.54) USER MOD ----------------------------------------------------------------- ATOM 1 N SER A 1 14.423 -7.529 2.148 1.00 0.00 N ATOM 2 CA SER A 1 14.098 -8.927 2.497 1.00 0.00 C ATOM 3 C SER A 1 12.615 -9.099 2.819 1.00 0.00 C ATOM 4 O SER A 1 12.022 -8.217 3.438 1.00 0.00 O ATOM 5 CB SER A 1 14.902 -9.387 3.712 1.00 0.00 C ATOM 6 OG SER A 1 16.283 -9.462 3.421 1.00 0.00 O ATOM 0 H1 SER A 1 14.665 -7.471 1.138 1.00 0.00 H new ATOM 0 H2 SER A 1 13.601 -6.923 2.342 1.00 0.00 H new ATOM 0 H3 SER A 1 15.232 -7.208 2.717 1.00 0.00 H new ATOM 0 HA SER A 1 14.352 -9.530 1.625 1.00 0.00 H new ATOM 0 HB2 SER A 1 14.740 -8.696 4.539 1.00 0.00 H new ATOM 0 HB3 SER A 1 14.544 -10.364 4.038 1.00 0.00 H new ATOM 0 HG SER A 1 16.770 -9.757 4.219 1.00 0.00 H new ATOM 12 N GLN A 2 12.041 -10.249 2.450 1.00 0.00 N ATOM 13 CA GLN A 2 10.687 -10.707 2.744 1.00 0.00 C ATOM 14 C GLN A 2 10.306 -10.513 4.207 1.00 0.00 C ATOM 15 O GLN A 2 9.226 -10.002 4.460 1.00 0.00 O ATOM 16 CB GLN A 2 10.534 -12.194 2.357 1.00 0.00 C ATOM 17 CG GLN A 2 9.777 -12.338 1.038 1.00 0.00 C ATOM 18 CD GLN A 2 9.732 -13.766 0.513 1.00 0.00 C ATOM 19 OE1 GLN A 2 10.760 -14.427 0.372 1.00 0.00 O ATOM 20 NE2 GLN A 2 8.556 -14.265 0.178 1.00 0.00 N ATOM 0 H GLN A 2 12.554 -10.934 1.895 1.00 0.00 H new ATOM 0 HA GLN A 2 10.009 -10.095 2.149 1.00 0.00 H new ATOM 0 HB2 GLN A 2 11.518 -12.654 2.268 1.00 0.00 H new ATOM 0 HB3 GLN A 2 10.003 -12.727 3.146 1.00 0.00 H new ATOM 0 HG2 GLN A 2 8.757 -11.977 1.173 1.00 0.00 H new ATOM 0 HG3 GLN A 2 10.245 -11.699 0.289 1.00 0.00 H new ATOM 0 HE21 GLN A 2 7.711 -13.706 0.300 1.00 0.00 H new ATOM 0 HE22 GLN A 2 8.492 -15.209 -0.203 1.00 0.00 H new ATOM 29 N GLU A 3 11.152 -10.912 5.159 1.00 0.00 N ATOM 30 CA GLU A 3 10.846 -10.909 6.586 1.00 0.00 C ATOM 31 C GLU A 3 10.300 -9.554 7.037 1.00 0.00 C ATOM 32 O GLU A 3 9.187 -9.441 7.562 1.00 0.00 O ATOM 33 CB GLU A 3 12.137 -11.277 7.332 1.00 0.00 C ATOM 34 CG GLU A 3 11.943 -11.341 8.853 1.00 0.00 C ATOM 35 CD GLU A 3 12.744 -12.481 9.486 1.00 0.00 C ATOM 36 OE1 GLU A 3 12.319 -13.649 9.336 1.00 0.00 O ATOM 37 OE2 GLU A 3 13.765 -12.248 10.174 1.00 0.00 O ATOM 0 H GLU A 3 12.090 -11.254 4.951 1.00 0.00 H new ATOM 0 HA GLU A 3 10.065 -11.636 6.808 1.00 0.00 H new ATOM 0 HB2 GLU A 3 12.496 -12.242 6.975 1.00 0.00 H new ATOM 0 HB3 GLU A 3 12.909 -10.543 7.099 1.00 0.00 H new ATOM 0 HG2 GLU A 3 12.248 -10.394 9.297 1.00 0.00 H new ATOM 0 HG3 GLU A 3 10.885 -11.473 9.078 1.00 0.00 H new ATOM 44 N VAL A 4 11.096 -8.518 6.806 1.00 0.00 N ATOM 45 CA VAL A 4 10.763 -7.152 7.142 1.00 0.00 C ATOM 46 C VAL A 4 9.656 -6.611 6.255 1.00 0.00 C ATOM 47 O VAL A 4 8.779 -5.900 6.730 1.00 0.00 O ATOM 48 CB VAL A 4 12.036 -6.317 7.098 1.00 0.00 C ATOM 49 CG1 VAL A 4 12.853 -6.398 5.809 1.00 0.00 C ATOM 50 CG2 VAL A 4 11.734 -4.870 7.468 1.00 0.00 C ATOM 0 H VAL A 4 12.013 -8.614 6.369 1.00 0.00 H new ATOM 0 HA VAL A 4 10.360 -7.104 8.154 1.00 0.00 H new ATOM 0 HB VAL A 4 12.688 -6.772 7.844 1.00 0.00 H new ATOM 0 HG11 VAL A 4 13.734 -5.762 5.896 1.00 0.00 H new ATOM 0 HG12 VAL A 4 13.164 -7.429 5.640 1.00 0.00 H new ATOM 0 HG13 VAL A 4 12.244 -6.061 4.970 1.00 0.00 H new ATOM 0 HG21 VAL A 4 12.654 -4.286 7.432 1.00 0.00 H new ATOM 0 HG22 VAL A 4 11.014 -4.457 6.762 1.00 0.00 H new ATOM 0 HG23 VAL A 4 11.318 -4.831 8.475 1.00 0.00 H new ATOM 60 N MET A 5 9.671 -6.967 4.978 1.00 0.00 N ATOM 61 CA MET A 5 8.606 -6.632 4.033 1.00 0.00 C ATOM 62 C MET A 5 7.233 -7.069 4.571 1.00 0.00 C ATOM 63 O MET A 5 6.290 -6.279 4.579 1.00 0.00 O ATOM 64 CB MET A 5 8.925 -7.227 2.653 1.00 0.00 C ATOM 65 CG MET A 5 8.371 -6.389 1.512 1.00 0.00 C ATOM 66 SD MET A 5 6.644 -6.731 1.109 1.00 0.00 S ATOM 67 CE MET A 5 5.998 -5.098 1.472 1.00 0.00 C ATOM 0 H MET A 5 10.431 -7.504 4.560 1.00 0.00 H new ATOM 0 HA MET A 5 8.554 -5.550 3.916 1.00 0.00 H new ATOM 0 HB2 MET A 5 10.006 -7.317 2.541 1.00 0.00 H new ATOM 0 HB3 MET A 5 8.513 -8.234 2.592 1.00 0.00 H new ATOM 0 HG2 MET A 5 8.470 -5.335 1.770 1.00 0.00 H new ATOM 0 HG3 MET A 5 8.980 -6.558 0.624 1.00 0.00 H new ATOM 0 HE1 MET A 5 4.911 -5.110 1.391 1.00 0.00 H new ATOM 0 HE2 MET A 5 6.283 -4.811 2.484 1.00 0.00 H new ATOM 0 HE3 MET A 5 6.406 -4.379 0.762 1.00 0.00 H new ATOM 77 N LYS A 6 7.134 -8.282 5.112 1.00 0.00 N ATOM 78 CA LYS A 6 5.928 -8.822 5.728 1.00 0.00 C ATOM 79 C LYS A 6 5.538 -7.970 6.936 1.00 0.00 C ATOM 80 O LYS A 6 4.376 -7.589 7.073 1.00 0.00 O ATOM 81 CB LYS A 6 6.190 -10.295 6.102 1.00 0.00 C ATOM 82 CG LYS A 6 5.008 -11.239 5.859 1.00 0.00 C ATOM 83 CD LYS A 6 3.767 -10.933 6.712 1.00 0.00 C ATOM 84 CE LYS A 6 2.982 -12.224 6.970 1.00 0.00 C ATOM 85 NZ LYS A 6 2.421 -12.812 5.737 1.00 0.00 N ATOM 0 H LYS A 6 7.917 -8.935 5.133 1.00 0.00 H new ATOM 0 HA LYS A 6 5.086 -8.791 5.036 1.00 0.00 H new ATOM 0 HB2 LYS A 6 7.047 -10.653 5.531 1.00 0.00 H new ATOM 0 HB3 LYS A 6 6.466 -10.344 7.155 1.00 0.00 H new ATOM 0 HG2 LYS A 6 4.731 -11.191 4.806 1.00 0.00 H new ATOM 0 HG3 LYS A 6 5.328 -12.262 6.059 1.00 0.00 H new ATOM 0 HD2 LYS A 6 4.067 -10.484 7.659 1.00 0.00 H new ATOM 0 HD3 LYS A 6 3.134 -10.207 6.202 1.00 0.00 H new ATOM 0 HE2 LYS A 6 3.637 -12.952 7.448 1.00 0.00 H new ATOM 0 HE3 LYS A 6 2.172 -12.017 7.669 1.00 0.00 H new ATOM 0 HZ1 LYS A 6 1.845 -13.643 5.980 1.00 0.00 H new ATOM 0 HZ2 LYS A 6 1.826 -12.107 5.256 1.00 0.00 H new ATOM 0 HZ3 LYS A 6 3.196 -13.100 5.106 1.00 0.00 H new ATOM 99 N ASN A 7 6.499 -7.656 7.809 1.00 0.00 N ATOM 100 CA ASN A 7 6.287 -6.838 9.005 1.00 0.00 C ATOM 101 C ASN A 7 5.840 -5.420 8.645 1.00 0.00 C ATOM 102 O ASN A 7 5.014 -4.839 9.345 1.00 0.00 O ATOM 103 CB ASN A 7 7.599 -6.784 9.802 1.00 0.00 C ATOM 104 CG ASN A 7 7.446 -6.165 11.189 1.00 0.00 C ATOM 105 OD1 ASN A 7 6.485 -6.446 11.904 1.00 0.00 O ATOM 106 ND2 ASN A 7 8.402 -5.358 11.618 1.00 0.00 N ATOM 0 H ASN A 7 7.464 -7.969 7.702 1.00 0.00 H new ATOM 0 HA ASN A 7 5.495 -7.290 9.602 1.00 0.00 H new ATOM 0 HB2 ASN A 7 7.993 -7.795 9.906 1.00 0.00 H new ATOM 0 HB3 ASN A 7 8.334 -6.212 9.237 1.00 0.00 H new ATOM 0 HD21 ASN A 7 8.350 -4.958 12.555 1.00 0.00 H new ATOM 0 HD22 ASN A 7 9.192 -5.136 11.012 1.00 0.00 H new ATOM 113 N LEU A 8 6.366 -4.861 7.556 1.00 0.00 N ATOM 114 CA LEU A 8 6.008 -3.564 6.995 1.00 0.00 C ATOM 115 C LEU A 8 4.586 -3.605 6.468 1.00 0.00 C ATOM 116 O LEU A 8 3.783 -2.753 6.830 1.00 0.00 O ATOM 117 CB LEU A 8 6.974 -3.196 5.856 1.00 0.00 C ATOM 118 CG LEU A 8 8.264 -2.558 6.383 1.00 0.00 C ATOM 119 CD1 LEU A 8 9.409 -2.669 5.384 1.00 0.00 C ATOM 120 CD2 LEU A 8 8.047 -1.072 6.661 1.00 0.00 C ATOM 0 H LEU A 8 7.093 -5.328 7.014 1.00 0.00 H new ATOM 0 HA LEU A 8 6.079 -2.809 7.778 1.00 0.00 H new ATOM 0 HB2 LEU A 8 7.219 -4.091 5.285 1.00 0.00 H new ATOM 0 HB3 LEU A 8 6.481 -2.506 5.171 1.00 0.00 H new ATOM 0 HG LEU A 8 8.523 -3.097 7.294 1.00 0.00 H new ATOM 0 HD11 LEU A 8 10.302 -2.203 5.801 1.00 0.00 H new ATOM 0 HD12 LEU A 8 9.611 -3.720 5.177 1.00 0.00 H new ATOM 0 HD13 LEU A 8 9.135 -2.163 4.458 1.00 0.00 H new ATOM 0 HD21 LEU A 8 8.972 -0.633 7.035 1.00 0.00 H new ATOM 0 HD22 LEU A 8 7.753 -0.569 5.740 1.00 0.00 H new ATOM 0 HD23 LEU A 8 7.261 -0.952 7.407 1.00 0.00 H new ATOM 132 N SER A 9 4.260 -4.605 5.650 1.00 0.00 N ATOM 133 CA SER A 9 2.929 -4.817 5.093 1.00 0.00 C ATOM 134 C SER A 9 1.897 -4.949 6.230 1.00 0.00 C ATOM 135 O SER A 9 0.778 -4.437 6.124 1.00 0.00 O ATOM 136 CB SER A 9 3.004 -6.054 4.175 1.00 0.00 C ATOM 137 OG SER A 9 1.796 -6.353 3.499 1.00 0.00 O ATOM 0 H SER A 9 4.935 -5.308 5.350 1.00 0.00 H new ATOM 0 HA SER A 9 2.596 -3.969 4.494 1.00 0.00 H new ATOM 0 HB2 SER A 9 3.790 -5.897 3.437 1.00 0.00 H new ATOM 0 HB3 SER A 9 3.296 -6.918 4.772 1.00 0.00 H new ATOM 0 HG SER A 9 1.900 -6.163 2.543 1.00 0.00 H new ATOM 143 N LEU A 10 2.278 -5.569 7.351 1.00 0.00 N ATOM 144 CA LEU A 10 1.445 -5.747 8.520 1.00 0.00 C ATOM 145 C LEU A 10 1.226 -4.398 9.168 1.00 0.00 C ATOM 146 O LEU A 10 0.095 -3.987 9.419 1.00 0.00 O ATOM 147 CB LEU A 10 2.132 -6.744 9.475 1.00 0.00 C ATOM 148 CG LEU A 10 1.323 -7.058 10.742 1.00 0.00 C ATOM 149 CD1 LEU A 10 0.047 -7.843 10.418 1.00 0.00 C ATOM 150 CD2 LEU A 10 2.179 -7.860 11.725 1.00 0.00 C ATOM 0 H LEU A 10 3.209 -5.971 7.462 1.00 0.00 H new ATOM 0 HA LEU A 10 0.471 -6.157 8.254 1.00 0.00 H new ATOM 0 HB2 LEU A 10 2.321 -7.674 8.938 1.00 0.00 H new ATOM 0 HB3 LEU A 10 3.102 -6.342 9.767 1.00 0.00 H new ATOM 0 HG LEU A 10 1.033 -6.108 11.192 1.00 0.00 H new ATOM 0 HD11 LEU A 10 -0.499 -8.047 11.339 1.00 0.00 H new ATOM 0 HD12 LEU A 10 -0.580 -7.257 9.747 1.00 0.00 H new ATOM 0 HD13 LEU A 10 0.311 -8.785 9.937 1.00 0.00 H new ATOM 0 HD21 LEU A 10 1.597 -8.078 12.620 1.00 0.00 H new ATOM 0 HD22 LEU A 10 2.490 -8.794 11.258 1.00 0.00 H new ATOM 0 HD23 LEU A 10 3.060 -7.279 11.998 1.00 0.00 H new ATOM 162 N ASN A 11 2.325 -3.709 9.444 1.00 0.00 N ATOM 163 CA ASN A 11 2.293 -2.466 10.183 1.00 0.00 C ATOM 164 C ASN A 11 1.591 -1.348 9.428 1.00 0.00 C ATOM 165 O ASN A 11 0.890 -0.525 10.012 1.00 0.00 O ATOM 166 CB ASN A 11 3.707 -2.041 10.545 1.00 0.00 C ATOM 167 CG ASN A 11 4.062 -2.546 11.929 1.00 0.00 C ATOM 168 OD1 ASN A 11 3.731 -1.918 12.934 1.00 0.00 O ATOM 169 ND2 ASN A 11 4.642 -3.728 12.010 1.00 0.00 N ATOM 0 H ASN A 11 3.260 -4.000 9.160 1.00 0.00 H new ATOM 0 HA ASN A 11 1.715 -2.649 11.089 1.00 0.00 H new ATOM 0 HB2 ASN A 11 4.412 -2.435 9.813 1.00 0.00 H new ATOM 0 HB3 ASN A 11 3.788 -0.954 10.513 1.00 0.00 H new ATOM 0 HD21 ASN A 11 4.827 -4.144 12.923 1.00 0.00 H new ATOM 0 HD22 ASN A 11 4.906 -4.226 11.160 1.00 0.00 H new ATOM 176 N PHE A 12 1.768 -1.319 8.114 1.00 0.00 N ATOM 177 CA PHE A 12 1.065 -0.422 7.223 1.00 0.00 C ATOM 178 C PHE A 12 -0.441 -0.657 7.371 1.00 0.00 C ATOM 179 O PHE A 12 -1.175 0.283 7.655 1.00 0.00 O ATOM 180 CB PHE A 12 1.585 -0.659 5.807 1.00 0.00 C ATOM 181 CG PHE A 12 0.809 0.058 4.719 1.00 0.00 C ATOM 182 CD1 PHE A 12 1.079 1.414 4.459 1.00 0.00 C ATOM 183 CD2 PHE A 12 -0.186 -0.610 3.977 1.00 0.00 C ATOM 184 CE1 PHE A 12 0.348 2.109 3.484 1.00 0.00 C ATOM 185 CE2 PHE A 12 -0.906 0.085 2.987 1.00 0.00 C ATOM 186 CZ PHE A 12 -0.647 1.447 2.753 1.00 0.00 C ATOM 0 H PHE A 12 2.422 -1.936 7.632 1.00 0.00 H new ATOM 0 HA PHE A 12 1.242 0.626 7.465 1.00 0.00 H new ATOM 0 HB2 PHE A 12 2.627 -0.343 5.760 1.00 0.00 H new ATOM 0 HB3 PHE A 12 1.567 -1.729 5.602 1.00 0.00 H new ATOM 0 HD1 PHE A 12 1.854 1.923 5.013 1.00 0.00 H new ATOM 0 HD2 PHE A 12 -0.395 -1.652 4.168 1.00 0.00 H new ATOM 0 HE1 PHE A 12 0.552 3.153 3.297 1.00 0.00 H new ATOM 0 HE2 PHE A 12 -1.658 -0.429 2.407 1.00 0.00 H new ATOM 0 HZ PHE A 12 -1.216 1.984 2.008 1.00 0.00 H new ATOM 196 N GLY A 13 -0.894 -1.912 7.295 1.00 0.00 N ATOM 197 CA GLY A 13 -2.291 -2.309 7.456 1.00 0.00 C ATOM 198 C GLY A 13 -2.790 -2.339 8.904 1.00 0.00 C ATOM 199 O GLY A 13 -3.711 -3.099 9.209 1.00 0.00 O ATOM 0 H GLY A 13 -0.276 -2.703 7.114 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -2.917 -1.623 6.886 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -2.425 -3.299 7.020 1.00 0.00 H new ATOM 203 N LYS A 14 -2.166 -1.621 9.841 1.00 0.00 N ATOM 204 CA LYS A 14 -2.570 -1.621 11.247 1.00 0.00 C ATOM 205 C LYS A 14 -3.956 -1.002 11.431 1.00 0.00 C ATOM 206 O LYS A 14 -4.871 -1.705 11.853 1.00 0.00 O ATOM 207 CB LYS A 14 -1.525 -0.884 12.086 1.00 0.00 C ATOM 208 CG LYS A 14 -0.330 -1.753 12.515 1.00 0.00 C ATOM 209 CD LYS A 14 -0.478 -2.308 13.930 1.00 0.00 C ATOM 210 CE LYS A 14 0.866 -2.772 14.499 1.00 0.00 C ATOM 211 NZ LYS A 14 0.740 -3.107 15.933 1.00 0.00 N ATOM 0 H LYS A 14 -1.364 -1.022 9.644 1.00 0.00 H new ATOM 0 HA LYS A 14 -2.632 -2.655 11.588 1.00 0.00 H new ATOM 0 HB2 LYS A 14 -1.154 -0.032 11.516 1.00 0.00 H new ATOM 0 HB3 LYS A 14 -2.008 -0.485 12.978 1.00 0.00 H new ATOM 0 HG2 LYS A 14 -0.219 -2.581 11.815 1.00 0.00 H new ATOM 0 HG3 LYS A 14 0.583 -1.161 12.456 1.00 0.00 H new ATOM 0 HD2 LYS A 14 -0.903 -1.542 14.579 1.00 0.00 H new ATOM 0 HD3 LYS A 14 -1.178 -3.144 13.922 1.00 0.00 H new ATOM 0 HE2 LYS A 14 1.219 -3.643 13.947 1.00 0.00 H new ATOM 0 HE3 LYS A 14 1.612 -1.988 14.368 1.00 0.00 H new ATOM 0 HZ1 LYS A 14 1.662 -3.419 16.299 1.00 0.00 H new ATOM 0 HZ2 LYS A 14 0.425 -2.267 16.459 1.00 0.00 H new ATOM 0 HZ3 LYS A 14 0.044 -3.871 16.051 1.00 0.00 H new ATOM 225 N ALA A 15 -4.136 0.281 11.111 1.00 0.00 N ATOM 226 CA ALA A 15 -5.363 1.052 11.327 1.00 0.00 C ATOM 227 C ALA A 15 -6.512 0.673 10.370 1.00 0.00 C ATOM 228 O ALA A 15 -7.364 1.510 10.075 1.00 0.00 O ATOM 229 CB ALA A 15 -5.018 2.543 11.237 1.00 0.00 C ATOM 0 H ALA A 15 -3.399 0.835 10.675 1.00 0.00 H new ATOM 0 HA ALA A 15 -5.744 0.811 12.319 1.00 0.00 H new ATOM 0 HB1 ALA A 15 -5.919 3.135 11.395 1.00 0.00 H new ATOM 0 HB2 ALA A 15 -4.281 2.793 12.000 1.00 0.00 H new ATOM 0 HB3 ALA A 15 -4.608 2.763 10.251 1.00 0.00 H new ATOM 235 N LEU A 16 -6.543 -0.560 9.854 1.00 0.00 N ATOM 236 CA LEU A 16 -7.531 -1.034 8.890 1.00 0.00 C ATOM 237 C LEU A 16 -8.951 -0.831 9.416 1.00 0.00 C ATOM 238 O LEU A 16 -9.761 -0.228 8.729 1.00 0.00 O ATOM 239 CB LEU A 16 -7.272 -2.519 8.565 1.00 0.00 C ATOM 240 CG LEU A 16 -8.235 -3.065 7.491 1.00 0.00 C ATOM 241 CD1 LEU A 16 -7.854 -2.580 6.094 1.00 0.00 C ATOM 242 CD2 LEU A 16 -8.278 -4.594 7.506 1.00 0.00 C ATOM 0 H LEU A 16 -5.859 -1.274 10.106 1.00 0.00 H new ATOM 0 HA LEU A 16 -7.434 -0.451 7.974 1.00 0.00 H new ATOM 0 HB2 LEU A 16 -6.244 -2.639 8.222 1.00 0.00 H new ATOM 0 HB3 LEU A 16 -7.375 -3.110 9.475 1.00 0.00 H new ATOM 0 HG LEU A 16 -9.225 -2.681 7.735 1.00 0.00 H new ATOM 0 HD11 LEU A 16 -8.555 -2.985 5.364 1.00 0.00 H new ATOM 0 HD12 LEU A 16 -7.889 -1.491 6.065 1.00 0.00 H new ATOM 0 HD13 LEU A 16 -6.846 -2.917 5.854 1.00 0.00 H new ATOM 0 HD21 LEU A 16 -8.966 -4.946 6.737 1.00 0.00 H new ATOM 0 HD22 LEU A 16 -7.281 -4.988 7.309 1.00 0.00 H new ATOM 0 HD23 LEU A 16 -8.618 -4.939 8.483 1.00 0.00 H new ATOM 254 N ASP A 17 -9.275 -1.328 10.610 1.00 0.00 N ATOM 255 CA ASP A 17 -10.628 -1.264 11.181 1.00 0.00 C ATOM 256 C ASP A 17 -11.076 0.163 11.418 1.00 0.00 C ATOM 257 O ASP A 17 -12.225 0.519 11.177 1.00 0.00 O ATOM 258 CB ASP A 17 -10.634 -1.948 12.543 1.00 0.00 C ATOM 259 CG ASP A 17 -12.051 -2.072 13.087 1.00 0.00 C ATOM 260 OD1 ASP A 17 -12.881 -2.787 12.484 1.00 0.00 O ATOM 261 OD2 ASP A 17 -12.347 -1.464 14.139 1.00 0.00 O ATOM 0 H ASP A 17 -8.600 -1.792 11.218 1.00 0.00 H new ATOM 0 HA ASP A 17 -11.296 -1.748 10.469 1.00 0.00 H new ATOM 0 HB2 ASP A 17 -10.186 -2.938 12.458 1.00 0.00 H new ATOM 0 HB3 ASP A 17 -10.021 -1.379 13.242 1.00 0.00 H new ATOM 266 N GLU A 18 -10.138 0.983 11.871 1.00 0.00 N ATOM 267 CA GLU A 18 -10.382 2.402 12.062 1.00 0.00 C ATOM 268 C GLU A 18 -10.800 2.990 10.717 1.00 0.00 C ATOM 269 O GLU A 18 -11.891 3.536 10.605 1.00 0.00 O ATOM 270 CB GLU A 18 -9.155 3.118 12.644 1.00 0.00 C ATOM 271 CG GLU A 18 -8.626 2.392 13.884 1.00 0.00 C ATOM 272 CD GLU A 18 -7.699 3.260 14.718 1.00 0.00 C ATOM 273 OE1 GLU A 18 -6.591 3.591 14.231 1.00 0.00 O ATOM 274 OE2 GLU A 18 -7.999 3.461 15.920 1.00 0.00 O ATOM 0 H GLU A 18 -9.194 0.684 12.114 1.00 0.00 H new ATOM 0 HA GLU A 18 -11.180 2.546 12.791 1.00 0.00 H new ATOM 0 HB2 GLU A 18 -8.371 3.172 11.889 1.00 0.00 H new ATOM 0 HB3 GLU A 18 -9.419 4.143 12.904 1.00 0.00 H new ATOM 0 HG2 GLU A 18 -9.467 2.070 14.498 1.00 0.00 H new ATOM 0 HG3 GLU A 18 -8.094 1.492 13.575 1.00 0.00 H new ATOM 281 N CYS A 19 -9.978 2.805 9.681 1.00 0.00 N ATOM 282 CA CYS A 19 -10.259 3.254 8.325 1.00 0.00 C ATOM 283 C CYS A 19 -11.568 2.684 7.764 1.00 0.00 C ATOM 284 O CYS A 19 -12.298 3.396 7.071 1.00 0.00 O ATOM 285 CB CYS A 19 -9.085 2.889 7.427 1.00 0.00 C ATOM 286 SG CYS A 19 -7.621 3.917 7.694 1.00 0.00 S ATOM 0 H CYS A 19 -9.081 2.328 9.769 1.00 0.00 H new ATOM 0 HA CYS A 19 -10.389 4.336 8.353 1.00 0.00 H new ATOM 0 HB2 CYS A 19 -8.821 1.845 7.595 1.00 0.00 H new ATOM 0 HB3 CYS A 19 -9.394 2.976 6.385 1.00 0.00 H new ATOM 291 N LYS A 20 -11.882 1.420 8.060 1.00 0.00 N ATOM 292 CA LYS A 20 -13.113 0.767 7.675 1.00 0.00 C ATOM 293 C LYS A 20 -14.299 1.562 8.188 1.00 0.00 C ATOM 294 O LYS A 20 -15.201 1.863 7.418 1.00 0.00 O ATOM 295 CB LYS A 20 -13.127 -0.663 8.226 1.00 0.00 C ATOM 296 CG LYS A 20 -12.323 -1.676 7.403 1.00 0.00 C ATOM 297 CD LYS A 20 -11.960 -2.995 8.121 1.00 0.00 C ATOM 298 CE LYS A 20 -13.185 -3.658 8.751 1.00 0.00 C ATOM 299 NZ LYS A 20 -13.022 -4.178 10.130 1.00 0.00 N ATOM 0 H LYS A 20 -11.259 0.813 8.592 1.00 0.00 H new ATOM 0 HA LYS A 20 -13.181 0.719 6.588 1.00 0.00 H new ATOM 0 HB2 LYS A 20 -12.735 -0.649 9.243 1.00 0.00 H new ATOM 0 HB3 LYS A 20 -14.161 -1.004 8.287 1.00 0.00 H new ATOM 0 HG2 LYS A 20 -12.892 -1.919 6.506 1.00 0.00 H new ATOM 0 HG3 LYS A 20 -11.400 -1.198 7.076 1.00 0.00 H new ATOM 0 HD2 LYS A 20 -11.502 -3.681 7.409 1.00 0.00 H new ATOM 0 HD3 LYS A 20 -11.218 -2.795 8.894 1.00 0.00 H new ATOM 0 HE2 LYS A 20 -14.000 -2.935 8.754 1.00 0.00 H new ATOM 0 HE3 LYS A 20 -13.493 -4.484 8.110 1.00 0.00 H new ATOM 0 HZ1 LYS A 20 -13.828 -4.790 10.368 1.00 0.00 H new ATOM 0 HZ2 LYS A 20 -12.141 -4.726 10.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 20 -12.983 -3.382 10.799 1.00 0.00 H new ATOM 313 N LYS A 21 -14.322 1.922 9.468 1.00 0.00 N ATOM 314 CA LYS A 21 -15.406 2.696 10.029 1.00 0.00 C ATOM 315 C LYS A 21 -15.329 4.152 9.559 1.00 0.00 C ATOM 316 O LYS A 21 -16.374 4.734 9.272 1.00 0.00 O ATOM 317 CB LYS A 21 -15.328 2.488 11.538 1.00 0.00 C ATOM 318 CG LYS A 21 -15.948 3.624 12.324 1.00 0.00 C ATOM 319 CD LYS A 21 -16.092 3.199 13.780 1.00 0.00 C ATOM 320 CE LYS A 21 -16.427 4.399 14.659 1.00 0.00 C ATOM 321 NZ LYS A 21 -16.861 3.953 15.996 1.00 0.00 N ATOM 0 H LYS A 21 -13.590 1.683 10.136 1.00 0.00 H new ATOM 0 HA LYS A 21 -16.390 2.374 9.689 1.00 0.00 H new ATOM 0 HB2 LYS A 21 -15.831 1.557 11.797 1.00 0.00 H new ATOM 0 HB3 LYS A 21 -14.284 2.378 11.831 1.00 0.00 H new ATOM 0 HG2 LYS A 21 -15.325 4.516 12.252 1.00 0.00 H new ATOM 0 HG3 LYS A 21 -16.922 3.881 11.909 1.00 0.00 H new ATOM 0 HD2 LYS A 21 -16.875 2.446 13.869 1.00 0.00 H new ATOM 0 HD3 LYS A 21 -15.166 2.737 14.123 1.00 0.00 H new ATOM 0 HE2 LYS A 21 -15.554 5.046 14.750 1.00 0.00 H new ATOM 0 HE3 LYS A 21 -17.215 4.991 14.193 1.00 0.00 H new ATOM 0 HZ1 LYS A 21 -17.085 4.782 16.583 1.00 0.00 H new ATOM 0 HZ2 LYS A 21 -17.706 3.354 15.905 1.00 0.00 H new ATOM 0 HZ3 LYS A 21 -16.098 3.408 16.445 1.00 0.00 H new ATOM 335 N GLU A 22 -14.133 4.741 9.481 1.00 0.00 N ATOM 336 CA GLU A 22 -13.882 6.146 9.133 1.00 0.00 C ATOM 337 C GLU A 22 -14.486 6.507 7.781 1.00 0.00 C ATOM 338 O GLU A 22 -14.927 7.639 7.593 1.00 0.00 O ATOM 339 CB GLU A 22 -12.368 6.412 9.044 1.00 0.00 C ATOM 340 CG GLU A 22 -11.619 6.474 10.392 1.00 0.00 C ATOM 341 CD GLU A 22 -11.268 7.883 10.868 1.00 0.00 C ATOM 342 OE1 GLU A 22 -11.898 8.864 10.412 1.00 0.00 O ATOM 343 OE2 GLU A 22 -10.351 8.002 11.711 1.00 0.00 O ATOM 0 H GLU A 22 -13.271 4.229 9.667 1.00 0.00 H new ATOM 0 HA GLU A 22 -14.342 6.750 9.915 1.00 0.00 H new ATOM 0 HB2 GLU A 22 -11.916 5.630 8.434 1.00 0.00 H new ATOM 0 HB3 GLU A 22 -12.214 7.355 8.520 1.00 0.00 H new ATOM 0 HG2 GLU A 22 -12.231 5.991 11.154 1.00 0.00 H new ATOM 0 HG3 GLU A 22 -10.699 5.895 10.307 1.00 0.00 H new ATOM 350 N MET A 23 -14.492 5.563 6.835 1.00 0.00 N ATOM 351 CA MET A 23 -14.899 5.815 5.461 1.00 0.00 C ATOM 352 C MET A 23 -16.044 4.908 5.012 1.00 0.00 C ATOM 353 O MET A 23 -16.601 5.142 3.939 1.00 0.00 O ATOM 354 CB MET A 23 -13.668 5.667 4.560 1.00 0.00 C ATOM 355 CG MET A 23 -12.548 6.635 4.968 1.00 0.00 C ATOM 356 SD MET A 23 -11.633 7.390 3.607 1.00 0.00 S ATOM 357 CE MET A 23 -11.061 5.880 2.813 1.00 0.00 C ATOM 0 H MET A 23 -14.212 4.598 7.009 1.00 0.00 H new ATOM 0 HA MET A 23 -15.291 6.829 5.387 1.00 0.00 H new ATOM 0 HB2 MET A 23 -13.300 4.642 4.611 1.00 0.00 H new ATOM 0 HB3 MET A 23 -13.951 5.853 3.524 1.00 0.00 H new ATOM 0 HG2 MET A 23 -12.982 7.430 5.575 1.00 0.00 H new ATOM 0 HG3 MET A 23 -11.843 6.099 5.603 1.00 0.00 H new ATOM 0 HE1 MET A 23 -10.216 6.108 2.163 1.00 0.00 H new ATOM 0 HE2 MET A 23 -10.750 5.164 3.574 1.00 0.00 H new ATOM 0 HE3 MET A 23 -11.869 5.452 2.220 1.00 0.00 H new ATOM 367 N THR A 24 -16.437 3.934 5.838 1.00 0.00 N ATOM 368 CA THR A 24 -17.341 2.839 5.506 1.00 0.00 C ATOM 369 C THR A 24 -16.758 1.988 4.379 1.00 0.00 C ATOM 370 O THR A 24 -17.069 2.204 3.205 1.00 0.00 O ATOM 371 CB THR A 24 -18.755 3.361 5.223 1.00 0.00 C ATOM 372 OG1 THR A 24 -19.155 4.176 6.311 1.00 0.00 O ATOM 373 CG2 THR A 24 -19.736 2.205 5.037 1.00 0.00 C ATOM 0 H THR A 24 -16.114 3.890 6.805 1.00 0.00 H new ATOM 0 HA THR A 24 -17.440 2.177 6.366 1.00 0.00 H new ATOM 0 HB THR A 24 -18.752 3.941 4.300 1.00 0.00 H new ATOM 0 HG1 THR A 24 -20.058 4.521 6.147 1.00 0.00 H new ATOM 0 HG21 THR A 24 -20.732 2.601 4.838 1.00 0.00 H new ATOM 0 HG22 THR A 24 -19.416 1.588 4.197 1.00 0.00 H new ATOM 0 HG23 THR A 24 -19.761 1.600 5.943 1.00 0.00 H new ATOM 381 N LEU A 25 -15.909 1.023 4.751 1.00 0.00 N ATOM 382 CA LEU A 25 -15.327 0.030 3.861 1.00 0.00 C ATOM 383 C LEU A 25 -15.708 -1.325 4.442 1.00 0.00 C ATOM 384 O LEU A 25 -15.719 -1.460 5.670 1.00 0.00 O ATOM 385 CB LEU A 25 -13.796 0.192 3.817 1.00 0.00 C ATOM 386 CG LEU A 25 -13.296 1.648 3.691 1.00 0.00 C ATOM 387 CD1 LEU A 25 -11.771 1.702 3.744 1.00 0.00 C ATOM 388 CD2 LEU A 25 -13.757 2.286 2.377 1.00 0.00 C ATOM 0 H LEU A 25 -15.601 0.914 5.717 1.00 0.00 H new ATOM 0 HA LEU A 25 -15.691 0.138 2.839 1.00 0.00 H new ATOM 0 HB2 LEU A 25 -13.374 -0.244 4.722 1.00 0.00 H new ATOM 0 HB3 LEU A 25 -13.409 -0.383 2.976 1.00 0.00 H new ATOM 0 HG LEU A 25 -13.719 2.202 4.529 1.00 0.00 H new ATOM 0 HD11 LEU A 25 -11.440 2.737 3.653 1.00 0.00 H new ATOM 0 HD12 LEU A 25 -11.425 1.292 4.693 1.00 0.00 H new ATOM 0 HD13 LEU A 25 -11.357 1.116 2.923 1.00 0.00 H new ATOM 0 HD21 LEU A 25 -13.388 3.310 2.321 1.00 0.00 H new ATOM 0 HD22 LEU A 25 -13.365 1.712 1.537 1.00 0.00 H new ATOM 0 HD23 LEU A 25 -14.846 2.290 2.337 1.00 0.00 H new ATOM 400 N THR A 26 -16.020 -2.313 3.603 1.00 0.00 N ATOM 401 CA THR A 26 -16.578 -3.586 4.056 1.00 0.00 C ATOM 402 C THR A 26 -15.467 -4.531 4.534 1.00 0.00 C ATOM 403 O THR A 26 -14.314 -4.121 4.669 1.00 0.00 O ATOM 404 CB THR A 26 -17.517 -4.182 2.993 1.00 0.00 C ATOM 405 OG1 THR A 26 -16.843 -4.915 1.991 1.00 0.00 O ATOM 406 CG2 THR A 26 -18.370 -3.141 2.283 1.00 0.00 C ATOM 0 H THR A 26 -15.893 -2.253 2.593 1.00 0.00 H new ATOM 0 HA THR A 26 -17.206 -3.418 4.931 1.00 0.00 H new ATOM 0 HB THR A 26 -18.152 -4.848 3.577 1.00 0.00 H new ATOM 0 HG1 THR A 26 -17.495 -5.268 1.349 1.00 0.00 H new ATOM 0 HG21 THR A 26 -19.007 -3.633 1.548 1.00 0.00 H new ATOM 0 HG22 THR A 26 -18.992 -2.621 3.012 1.00 0.00 H new ATOM 0 HG23 THR A 26 -17.723 -2.422 1.780 1.00 0.00 H new ATOM 414 N ASP A 27 -15.783 -5.768 4.920 1.00 0.00 N ATOM 415 CA ASP A 27 -14.804 -6.768 5.321 1.00 0.00 C ATOM 416 C ASP A 27 -14.239 -7.540 4.143 1.00 0.00 C ATOM 417 O ASP A 27 -13.243 -8.238 4.282 1.00 0.00 O ATOM 418 CB ASP A 27 -15.431 -7.700 6.345 1.00 0.00 C ATOM 419 CG ASP A 27 -16.182 -8.946 5.857 1.00 0.00 C ATOM 420 OD1 ASP A 27 -16.706 -8.966 4.721 1.00 0.00 O ATOM 421 OD2 ASP A 27 -16.343 -9.865 6.694 1.00 0.00 O ATOM 0 H ASP A 27 -16.745 -6.105 4.962 1.00 0.00 H new ATOM 0 HA ASP A 27 -13.956 -6.251 5.771 1.00 0.00 H new ATOM 0 HB2 ASP A 27 -14.638 -8.035 7.014 1.00 0.00 H new ATOM 0 HB3 ASP A 27 -16.126 -7.111 6.944 1.00 0.00 H new ATOM 426 N ALA A 28 -14.819 -7.357 2.967 1.00 0.00 N ATOM 427 CA ALA A 28 -14.313 -7.958 1.746 1.00 0.00 C ATOM 428 C ALA A 28 -12.907 -7.429 1.411 1.00 0.00 C ATOM 429 O ALA A 28 -12.093 -8.156 0.844 1.00 0.00 O ATOM 430 CB ALA A 28 -15.314 -7.691 0.625 1.00 0.00 C ATOM 0 H ALA A 28 -15.654 -6.787 2.834 1.00 0.00 H new ATOM 0 HA ALA A 28 -14.208 -9.035 1.874 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -14.950 -8.136 -0.301 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -16.277 -8.131 0.885 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -15.431 -6.616 0.490 1.00 0.00 H new ATOM 436 N ILE A 29 -12.566 -6.200 1.827 1.00 0.00 N ATOM 437 CA ILE A 29 -11.187 -5.721 1.716 1.00 0.00 C ATOM 438 C ILE A 29 -10.239 -6.525 2.607 1.00 0.00 C ATOM 439 O ILE A 29 -9.053 -6.588 2.319 1.00 0.00 O ATOM 440 CB ILE A 29 -11.050 -4.218 2.042 1.00 0.00 C ATOM 441 CG1 ILE A 29 -11.193 -3.962 3.560 1.00 0.00 C ATOM 442 CG2 ILE A 29 -11.980 -3.382 1.148 1.00 0.00 C ATOM 443 CD1 ILE A 29 -11.445 -2.514 3.954 1.00 0.00 C ATOM 0 H ILE A 29 -13.218 -5.531 2.237 1.00 0.00 H new ATOM 0 HA ILE A 29 -10.907 -5.866 0.673 1.00 0.00 H new ATOM 0 HB ILE A 29 -10.043 -3.880 1.800 1.00 0.00 H new ATOM 0 HG12 ILE A 29 -12.013 -4.572 3.939 1.00 0.00 H new ATOM 0 HG13 ILE A 29 -10.285 -4.304 4.057 1.00 0.00 H new ATOM 0 HG21 ILE A 29 -11.868 -2.326 1.394 1.00 0.00 H new ATOM 0 HG22 ILE A 29 -11.719 -3.541 0.102 1.00 0.00 H new ATOM 0 HG23 ILE A 29 -13.014 -3.686 1.314 1.00 0.00 H new ATOM 0 HD11 ILE A 29 -11.530 -2.441 5.038 1.00 0.00 H new ATOM 0 HD12 ILE A 29 -10.616 -1.894 3.613 1.00 0.00 H new ATOM 0 HD13 ILE A 29 -12.370 -2.167 3.494 1.00 0.00 H new ATOM 455 N ASN A 30 -10.736 -7.084 3.711 1.00 0.00 N ATOM 456 CA ASN A 30 -9.952 -7.812 4.697 1.00 0.00 C ATOM 457 C ASN A 30 -9.500 -9.125 4.066 1.00 0.00 C ATOM 458 O ASN A 30 -8.339 -9.496 4.213 1.00 0.00 O ATOM 459 CB ASN A 30 -10.818 -8.051 5.947 1.00 0.00 C ATOM 460 CG ASN A 30 -10.067 -8.006 7.264 1.00 0.00 C ATOM 461 OD1 ASN A 30 -8.901 -8.370 7.385 1.00 0.00 O ATOM 462 ND2 ASN A 30 -10.744 -7.548 8.302 1.00 0.00 N ATOM 0 H ASN A 30 -11.727 -7.038 3.947 1.00 0.00 H new ATOM 0 HA ASN A 30 -9.071 -7.248 5.003 1.00 0.00 H new ATOM 0 HB2 ASN A 30 -11.609 -7.302 5.971 1.00 0.00 H new ATOM 0 HB3 ASN A 30 -11.302 -9.023 5.855 1.00 0.00 H new ATOM 0 HD21 ASN A 30 -10.298 -7.494 9.218 1.00 0.00 H new ATOM 0 HD22 ASN A 30 -11.712 -7.249 8.188 1.00 0.00 H new ATOM 469 N GLU A 31 -10.387 -9.770 3.294 1.00 0.00 N ATOM 470 CA GLU A 31 -10.082 -10.906 2.436 1.00 0.00 C ATOM 471 C GLU A 31 -9.021 -10.519 1.402 1.00 0.00 C ATOM 472 O GLU A 31 -8.085 -11.289 1.174 1.00 0.00 O ATOM 473 CB GLU A 31 -11.377 -11.411 1.767 1.00 0.00 C ATOM 474 CG GLU A 31 -11.124 -12.155 0.456 1.00 0.00 C ATOM 475 CD GLU A 31 -12.190 -13.192 0.136 1.00 0.00 C ATOM 476 OE1 GLU A 31 -12.016 -14.317 0.662 1.00 0.00 O ATOM 477 OE2 GLU A 31 -13.028 -12.969 -0.765 1.00 0.00 O ATOM 0 H GLU A 31 -11.370 -9.499 3.254 1.00 0.00 H new ATOM 0 HA GLU A 31 -9.672 -11.719 3.035 1.00 0.00 H new ATOM 0 HB2 GLU A 31 -11.902 -12.072 2.457 1.00 0.00 H new ATOM 0 HB3 GLU A 31 -12.034 -10.563 1.576 1.00 0.00 H new ATOM 0 HG2 GLU A 31 -11.073 -11.433 -0.359 1.00 0.00 H new ATOM 0 HG3 GLU A 31 -10.153 -12.647 0.507 1.00 0.00 H new ATOM 484 N ASP A 32 -9.157 -9.348 0.776 1.00 0.00 N ATOM 485 CA ASP A 32 -8.208 -8.882 -0.230 1.00 0.00 C ATOM 486 C ASP A 32 -6.845 -8.728 0.433 1.00 0.00 C ATOM 487 O ASP A 32 -5.875 -9.318 -0.023 1.00 0.00 O ATOM 488 CB ASP A 32 -8.636 -7.549 -0.862 1.00 0.00 C ATOM 489 CG ASP A 32 -8.890 -7.647 -2.347 1.00 0.00 C ATOM 490 OD1 ASP A 32 -9.986 -8.068 -2.769 1.00 0.00 O ATOM 491 OD2 ASP A 32 -7.923 -7.350 -3.075 1.00 0.00 O ATOM 0 H ASP A 32 -9.925 -8.701 0.953 1.00 0.00 H new ATOM 0 HA ASP A 32 -8.169 -9.616 -1.035 1.00 0.00 H new ATOM 0 HB2 ASP A 32 -9.541 -7.195 -0.368 1.00 0.00 H new ATOM 0 HB3 ASP A 32 -7.861 -6.804 -0.681 1.00 0.00 H new ATOM 496 N PHE A 33 -6.738 -7.947 1.505 1.00 0.00 N ATOM 497 CA PHE A 33 -5.488 -7.697 2.215 1.00 0.00 C ATOM 498 C PHE A 33 -4.893 -8.984 2.779 1.00 0.00 C ATOM 499 O PHE A 33 -3.667 -9.124 2.804 1.00 0.00 O ATOM 500 CB PHE A 33 -5.748 -6.699 3.349 1.00 0.00 C ATOM 501 CG PHE A 33 -5.858 -5.251 2.919 1.00 0.00 C ATOM 502 CD1 PHE A 33 -4.796 -4.625 2.237 1.00 0.00 C ATOM 503 CD2 PHE A 33 -7.007 -4.511 3.245 1.00 0.00 C ATOM 504 CE1 PHE A 33 -4.883 -3.267 1.888 1.00 0.00 C ATOM 505 CE2 PHE A 33 -7.107 -3.162 2.877 1.00 0.00 C ATOM 506 CZ PHE A 33 -6.038 -2.535 2.216 1.00 0.00 C ATOM 0 H PHE A 33 -7.536 -7.460 1.913 1.00 0.00 H new ATOM 0 HA PHE A 33 -4.767 -7.285 1.509 1.00 0.00 H new ATOM 0 HB2 PHE A 33 -6.670 -6.982 3.857 1.00 0.00 H new ATOM 0 HB3 PHE A 33 -4.943 -6.785 4.079 1.00 0.00 H new ATOM 0 HD1 PHE A 33 -3.912 -5.191 1.982 1.00 0.00 H new ATOM 0 HD2 PHE A 33 -7.817 -4.983 3.781 1.00 0.00 H new ATOM 0 HE1 PHE A 33 -4.066 -2.787 1.370 1.00 0.00 H new ATOM 0 HE2 PHE A 33 -8.005 -2.605 3.101 1.00 0.00 H new ATOM 0 HZ PHE A 33 -6.103 -1.488 1.959 1.00 0.00 H new ATOM 516 N TYR A 34 -5.724 -9.925 3.227 1.00 0.00 N ATOM 517 CA TYR A 34 -5.287 -11.222 3.691 1.00 0.00 C ATOM 518 C TYR A 34 -4.636 -11.989 2.550 1.00 0.00 C ATOM 519 O TYR A 34 -3.510 -12.474 2.696 1.00 0.00 O ATOM 520 CB TYR A 34 -6.494 -11.973 4.254 1.00 0.00 C ATOM 521 CG TYR A 34 -6.199 -13.400 4.641 1.00 0.00 C ATOM 522 CD1 TYR A 34 -5.266 -13.667 5.657 1.00 0.00 C ATOM 523 CD2 TYR A 34 -6.846 -14.454 3.974 1.00 0.00 C ATOM 524 CE1 TYR A 34 -4.989 -14.994 6.023 1.00 0.00 C ATOM 525 CE2 TYR A 34 -6.570 -15.785 4.331 1.00 0.00 C ATOM 526 CZ TYR A 34 -5.650 -16.057 5.367 1.00 0.00 C ATOM 527 OH TYR A 34 -5.372 -17.338 5.711 1.00 0.00 O ATOM 0 H TYR A 34 -6.735 -9.796 3.275 1.00 0.00 H new ATOM 0 HA TYR A 34 -4.542 -11.112 4.479 1.00 0.00 H new ATOM 0 HB2 TYR A 34 -6.866 -11.439 5.128 1.00 0.00 H new ATOM 0 HB3 TYR A 34 -7.293 -11.966 3.512 1.00 0.00 H new ATOM 0 HD1 TYR A 34 -4.762 -12.852 6.156 1.00 0.00 H new ATOM 0 HD2 TYR A 34 -7.555 -14.241 3.187 1.00 0.00 H new ATOM 0 HE1 TYR A 34 -4.273 -15.202 6.804 1.00 0.00 H new ATOM 0 HE2 TYR A 34 -7.060 -16.597 3.815 1.00 0.00 H new ATOM 0 HH TYR A 34 -5.912 -17.948 5.166 1.00 0.00 H new ATOM 537 N ASN A 35 -5.335 -12.122 1.423 1.00 0.00 N ATOM 538 CA ASN A 35 -4.837 -12.905 0.305 1.00 0.00 C ATOM 539 C ASN A 35 -3.641 -12.208 -0.346 1.00 0.00 C ATOM 540 O ASN A 35 -2.706 -12.931 -0.654 1.00 0.00 O ATOM 541 CB ASN A 35 -5.947 -13.241 -0.701 1.00 0.00 C ATOM 542 CG ASN A 35 -6.843 -14.373 -0.223 1.00 0.00 C ATOM 543 OD1 ASN A 35 -6.566 -15.551 -0.437 1.00 0.00 O ATOM 544 ND2 ASN A 35 -7.954 -14.044 0.412 1.00 0.00 N ATOM 0 H ASN A 35 -6.248 -11.695 1.265 1.00 0.00 H new ATOM 0 HA ASN A 35 -4.486 -13.863 0.689 1.00 0.00 H new ATOM 0 HB2 ASN A 35 -6.553 -12.353 -0.879 1.00 0.00 H new ATOM 0 HB3 ASN A 35 -5.497 -13.516 -1.655 1.00 0.00 H new ATOM 0 HD21 ASN A 35 -8.594 -14.772 0.731 1.00 0.00 H new ATOM 0 HD22 ASN A 35 -8.172 -13.062 0.583 1.00 0.00 H new ATOM 551 N PHE A 36 -3.615 -10.865 -0.438 1.00 0.00 N ATOM 552 CA PHE A 36 -2.892 -9.947 -1.356 1.00 0.00 C ATOM 553 C PHE A 36 -1.624 -10.531 -1.957 1.00 0.00 C ATOM 554 O PHE A 36 -1.458 -10.540 -3.175 1.00 0.00 O ATOM 555 CB PHE A 36 -2.591 -8.649 -0.574 1.00 0.00 C ATOM 556 CG PHE A 36 -1.844 -7.521 -1.274 1.00 0.00 C ATOM 557 CD1 PHE A 36 -0.443 -7.467 -1.177 1.00 0.00 C ATOM 558 CD2 PHE A 36 -2.526 -6.466 -1.921 1.00 0.00 C ATOM 559 CE1 PHE A 36 0.257 -6.383 -1.726 1.00 0.00 C ATOM 560 CE2 PHE A 36 -1.809 -5.385 -2.483 1.00 0.00 C ATOM 561 CZ PHE A 36 -0.407 -5.353 -2.383 1.00 0.00 C ATOM 0 H PHE A 36 -4.175 -10.320 0.217 1.00 0.00 H new ATOM 0 HA PHE A 36 -3.533 -9.756 -2.217 1.00 0.00 H new ATOM 0 HB2 PHE A 36 -3.542 -8.247 -0.225 1.00 0.00 H new ATOM 0 HB3 PHE A 36 -2.017 -8.924 0.311 1.00 0.00 H new ATOM 0 HD1 PHE A 36 0.095 -8.261 -0.679 1.00 0.00 H new ATOM 0 HD2 PHE A 36 -3.604 -6.486 -1.987 1.00 0.00 H new ATOM 0 HE1 PHE A 36 1.333 -6.347 -1.637 1.00 0.00 H new ATOM 0 HE2 PHE A 36 -2.336 -4.588 -2.987 1.00 0.00 H new ATOM 0 HZ PHE A 36 0.150 -4.534 -2.813 1.00 0.00 H new ATOM 571 N TRP A 37 -0.751 -11.064 -1.107 1.00 0.00 N ATOM 572 CA TRP A 37 0.429 -11.826 -1.477 1.00 0.00 C ATOM 573 C TRP A 37 0.108 -13.178 -2.144 1.00 0.00 C ATOM 574 O TRP A 37 0.906 -14.113 -2.036 1.00 0.00 O ATOM 575 CB TRP A 37 1.302 -11.946 -0.210 1.00 0.00 C ATOM 576 CG TRP A 37 1.762 -10.623 0.340 1.00 0.00 C ATOM 577 CD1 TRP A 37 1.567 -10.111 1.580 1.00 0.00 C ATOM 578 CD2 TRP A 37 2.427 -9.574 -0.407 1.00 0.00 C ATOM 579 NE1 TRP A 37 2.076 -8.823 1.639 1.00 0.00 N ATOM 580 CE2 TRP A 37 2.603 -8.434 0.425 1.00 0.00 C ATOM 581 CE3 TRP A 37 2.832 -9.466 -1.745 1.00 0.00 C ATOM 582 CZ2 TRP A 37 3.157 -7.239 -0.064 1.00 0.00 C ATOM 583 CZ3 TRP A 37 3.362 -8.282 -2.255 1.00 0.00 C ATOM 584 CH2 TRP A 37 3.517 -7.168 -1.424 1.00 0.00 C ATOM 0 H TRP A 37 -0.855 -10.970 -0.097 1.00 0.00 H new ATOM 0 HA TRP A 37 0.982 -11.303 -2.258 1.00 0.00 H new ATOM 0 HB2 TRP A 37 0.738 -12.472 0.560 1.00 0.00 H new ATOM 0 HB3 TRP A 37 2.175 -12.557 -0.439 1.00 0.00 H new ATOM 0 HD1 TRP A 37 1.088 -10.628 2.398 1.00 0.00 H new ATOM 0 HE1 TRP A 37 2.063 -8.237 2.474 1.00 0.00 H new ATOM 0 HE3 TRP A 37 2.731 -10.321 -2.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 37 3.304 -6.392 0.590 1.00 0.00 H new ATOM 0 HZ3 TRP A 37 3.653 -8.225 -3.293 1.00 0.00 H new ATOM 0 HH2 TRP A 37 3.915 -6.248 -1.827 1.00 0.00 H new ATOM 595 N LYS A 38 -1.048 -13.338 -2.797 1.00 0.00 N ATOM 596 CA LYS A 38 -1.477 -14.577 -3.384 1.00 0.00 C ATOM 597 C LYS A 38 -0.912 -14.676 -4.785 1.00 0.00 C ATOM 598 O LYS A 38 -0.845 -13.704 -5.552 1.00 0.00 O ATOM 599 CB LYS A 38 -3.016 -14.686 -3.438 1.00 0.00 C ATOM 600 CG LYS A 38 -3.531 -15.864 -2.596 1.00 0.00 C ATOM 601 CD LYS A 38 -4.835 -16.433 -3.165 1.00 0.00 C ATOM 602 CE LYS A 38 -5.265 -17.667 -2.370 1.00 0.00 C ATOM 603 NZ LYS A 38 -6.553 -18.205 -2.849 1.00 0.00 N ATOM 0 H LYS A 38 -1.717 -12.579 -2.926 1.00 0.00 H new ATOM 0 HA LYS A 38 -1.111 -15.395 -2.763 1.00 0.00 H new ATOM 0 HB2 LYS A 38 -3.460 -13.758 -3.076 1.00 0.00 H new ATOM 0 HB3 LYS A 38 -3.336 -14.810 -4.472 1.00 0.00 H new ATOM 0 HG2 LYS A 38 -2.774 -16.648 -2.564 1.00 0.00 H new ATOM 0 HG3 LYS A 38 -3.693 -15.535 -1.570 1.00 0.00 H new ATOM 0 HD2 LYS A 38 -5.618 -15.676 -3.126 1.00 0.00 H new ATOM 0 HD3 LYS A 38 -4.698 -16.697 -4.214 1.00 0.00 H new ATOM 0 HE2 LYS A 38 -4.497 -18.437 -2.450 1.00 0.00 H new ATOM 0 HE3 LYS A 38 -5.349 -17.409 -1.314 1.00 0.00 H new ATOM 0 HZ1 LYS A 38 -6.811 -19.040 -2.286 1.00 0.00 H new ATOM 0 HZ2 LYS A 38 -7.291 -17.479 -2.750 1.00 0.00 H new ATOM 0 HZ3 LYS A 38 -6.466 -18.475 -3.849 1.00 0.00 H new ATOM 617 N GLU A 39 -0.623 -15.913 -5.126 1.00 0.00 N ATOM 618 CA GLU A 39 -0.477 -16.441 -6.450 1.00 0.00 C ATOM 619 C GLU A 39 -1.789 -16.171 -7.200 1.00 0.00 C ATOM 620 O GLU A 39 -2.804 -16.827 -6.959 1.00 0.00 O ATOM 621 CB GLU A 39 -0.116 -17.925 -6.258 1.00 0.00 C ATOM 622 CG GLU A 39 -0.262 -18.743 -7.533 1.00 0.00 C ATOM 623 CD GLU A 39 0.677 -19.952 -7.592 1.00 0.00 C ATOM 624 OE1 GLU A 39 1.902 -19.779 -7.393 1.00 0.00 O ATOM 625 OE2 GLU A 39 0.226 -21.095 -7.854 1.00 0.00 O ATOM 0 H GLU A 39 -0.473 -16.631 -4.417 1.00 0.00 H new ATOM 0 HA GLU A 39 0.306 -15.986 -7.057 1.00 0.00 H new ATOM 0 HB2 GLU A 39 0.911 -18.000 -5.901 1.00 0.00 H new ATOM 0 HB3 GLU A 39 -0.755 -18.351 -5.484 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -1.292 -19.088 -7.618 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -0.069 -18.100 -8.392 1.00 0.00 H new ATOM 632 N GLY A 40 -1.791 -15.164 -8.072 1.00 0.00 N ATOM 633 CA GLY A 40 -2.791 -14.980 -9.115 1.00 0.00 C ATOM 634 C GLY A 40 -4.050 -14.199 -8.733 1.00 0.00 C ATOM 635 O GLY A 40 -4.746 -13.743 -9.644 1.00 0.00 O ATOM 0 H GLY A 40 -1.077 -14.436 -8.070 1.00 0.00 H new ATOM 0 HA2 GLY A 40 -2.317 -14.471 -9.954 1.00 0.00 H new ATOM 0 HA3 GLY A 40 -3.096 -15.964 -9.470 1.00 0.00 H new ATOM 639 N TYR A 41 -4.357 -14.006 -7.442 1.00 0.00 N ATOM 640 CA TYR A 41 -5.560 -13.316 -6.979 1.00 0.00 C ATOM 641 C TYR A 41 -5.671 -11.957 -7.653 1.00 0.00 C ATOM 642 O TYR A 41 -4.647 -11.298 -7.871 1.00 0.00 O ATOM 643 CB TYR A 41 -5.472 -13.151 -5.457 1.00 0.00 C ATOM 644 CG TYR A 41 -6.645 -12.458 -4.789 1.00 0.00 C ATOM 645 CD1 TYR A 41 -6.828 -11.057 -4.904 1.00 0.00 C ATOM 646 CD2 TYR A 41 -7.430 -13.188 -3.873 1.00 0.00 C ATOM 647 CE1 TYR A 41 -7.837 -10.427 -4.143 1.00 0.00 C ATOM 648 CE2 TYR A 41 -8.447 -12.559 -3.144 1.00 0.00 C ATOM 649 CZ TYR A 41 -8.701 -11.190 -3.323 1.00 0.00 C ATOM 650 OH TYR A 41 -9.720 -10.643 -2.617 1.00 0.00 O ATOM 0 H TYR A 41 -3.763 -14.333 -6.680 1.00 0.00 H new ATOM 0 HA TYR A 41 -6.446 -13.897 -7.235 1.00 0.00 H new ATOM 0 HB2 TYR A 41 -5.359 -14.139 -5.011 1.00 0.00 H new ATOM 0 HB3 TYR A 41 -4.566 -12.591 -5.225 1.00 0.00 H new ATOM 0 HD1 TYR A 41 -6.202 -10.478 -5.567 1.00 0.00 H new ATOM 0 HD2 TYR A 41 -7.245 -14.243 -3.732 1.00 0.00 H new ATOM 0 HE1 TYR A 41 -7.950 -9.354 -4.187 1.00 0.00 H new ATOM 0 HE2 TYR A 41 -9.038 -13.129 -2.442 1.00 0.00 H new ATOM 0 HH TYR A 41 -10.035 -9.834 -3.071 1.00 0.00 H new ATOM 660 N GLU A 42 -6.896 -11.516 -7.936 1.00 0.00 N ATOM 661 CA GLU A 42 -7.137 -10.206 -8.511 1.00 0.00 C ATOM 662 C GLU A 42 -7.823 -9.243 -7.562 1.00 0.00 C ATOM 663 O GLU A 42 -8.769 -9.559 -6.843 1.00 0.00 O ATOM 664 CB GLU A 42 -7.966 -10.296 -9.802 1.00 0.00 C ATOM 665 CG GLU A 42 -7.165 -10.077 -11.083 1.00 0.00 C ATOM 666 CD GLU A 42 -8.117 -9.739 -12.227 1.00 0.00 C ATOM 667 OE1 GLU A 42 -8.896 -10.614 -12.664 1.00 0.00 O ATOM 668 OE2 GLU A 42 -8.205 -8.554 -12.607 1.00 0.00 O ATOM 0 H GLU A 42 -7.743 -12.060 -7.771 1.00 0.00 H new ATOM 0 HA GLU A 42 -6.144 -9.814 -8.730 1.00 0.00 H new ATOM 0 HB2 GLU A 42 -8.440 -11.277 -9.847 1.00 0.00 H new ATOM 0 HB3 GLU A 42 -8.766 -9.557 -9.758 1.00 0.00 H new ATOM 0 HG2 GLU A 42 -6.447 -9.269 -10.942 1.00 0.00 H new ATOM 0 HG3 GLU A 42 -6.593 -10.973 -11.324 1.00 0.00 H new ATOM 675 N ILE A 43 -7.376 -8.007 -7.680 1.00 0.00 N ATOM 676 CA ILE A 43 -7.640 -6.881 -6.830 1.00 0.00 C ATOM 677 C ILE A 43 -8.259 -5.831 -7.745 1.00 0.00 C ATOM 678 O ILE A 43 -7.570 -5.231 -8.569 1.00 0.00 O ATOM 679 CB ILE A 43 -6.310 -6.394 -6.231 1.00 0.00 C ATOM 680 CG1 ILE A 43 -5.478 -7.511 -5.574 1.00 0.00 C ATOM 681 CG2 ILE A 43 -6.606 -5.245 -5.262 1.00 0.00 C ATOM 682 CD1 ILE A 43 -4.148 -6.998 -5.010 1.00 0.00 C ATOM 0 H ILE A 43 -6.760 -7.751 -8.451 1.00 0.00 H new ATOM 0 HA ILE A 43 -8.306 -7.110 -5.998 1.00 0.00 H new ATOM 0 HB ILE A 43 -5.680 -6.039 -7.046 1.00 0.00 H new ATOM 0 HG12 ILE A 43 -6.058 -7.967 -4.771 1.00 0.00 H new ATOM 0 HG13 ILE A 43 -5.280 -8.292 -6.308 1.00 0.00 H new ATOM 0 HG21 ILE A 43 -5.673 -4.886 -4.827 1.00 0.00 H new ATOM 0 HG22 ILE A 43 -7.092 -4.431 -5.800 1.00 0.00 H new ATOM 0 HG23 ILE A 43 -7.264 -5.599 -4.468 1.00 0.00 H new ATOM 0 HD11 ILE A 43 -3.601 -7.826 -4.558 1.00 0.00 H new ATOM 0 HD12 ILE A 43 -3.553 -6.567 -5.815 1.00 0.00 H new ATOM 0 HD13 ILE A 43 -4.343 -6.237 -4.255 1.00 0.00 H new ATOM 694 N LYS A 44 -9.575 -5.650 -7.664 1.00 0.00 N ATOM 695 CA LYS A 44 -10.301 -4.673 -8.469 1.00 0.00 C ATOM 696 C LYS A 44 -11.232 -3.813 -7.616 1.00 0.00 C ATOM 697 O LYS A 44 -11.732 -2.804 -8.117 1.00 0.00 O ATOM 698 CB LYS A 44 -11.038 -5.384 -9.617 1.00 0.00 C ATOM 699 CG LYS A 44 -10.021 -5.783 -10.704 1.00 0.00 C ATOM 700 CD LYS A 44 -10.658 -6.499 -11.893 1.00 0.00 C ATOM 701 CE LYS A 44 -11.054 -7.929 -11.503 1.00 0.00 C ATOM 702 NZ LYS A 44 -11.069 -8.857 -12.652 1.00 0.00 N ATOM 0 H LYS A 44 -10.172 -6.183 -7.032 1.00 0.00 H new ATOM 0 HA LYS A 44 -9.583 -3.982 -8.911 1.00 0.00 H new ATOM 0 HB2 LYS A 44 -11.553 -6.269 -9.242 1.00 0.00 H new ATOM 0 HB3 LYS A 44 -11.799 -4.727 -10.038 1.00 0.00 H new ATOM 0 HG2 LYS A 44 -9.509 -4.888 -11.059 1.00 0.00 H new ATOM 0 HG3 LYS A 44 -9.263 -6.430 -10.263 1.00 0.00 H new ATOM 0 HD2 LYS A 44 -11.537 -5.949 -12.229 1.00 0.00 H new ATOM 0 HD3 LYS A 44 -9.959 -6.523 -12.729 1.00 0.00 H new ATOM 0 HE2 LYS A 44 -10.357 -8.301 -10.752 1.00 0.00 H new ATOM 0 HE3 LYS A 44 -12.042 -7.914 -11.042 1.00 0.00 H new ATOM 0 HZ1 LYS A 44 -12.052 -9.095 -12.893 1.00 0.00 H new ATOM 0 HZ2 LYS A 44 -10.612 -8.405 -13.469 1.00 0.00 H new ATOM 0 HZ3 LYS A 44 -10.554 -9.725 -12.404 1.00 0.00 H new ATOM 716 N ASN A 45 -11.446 -4.174 -6.349 1.00 0.00 N ATOM 717 CA ASN A 45 -12.276 -3.457 -5.392 1.00 0.00 C ATOM 718 C ASN A 45 -11.680 -2.094 -5.089 1.00 0.00 C ATOM 719 O ASN A 45 -10.714 -1.996 -4.341 1.00 0.00 O ATOM 720 CB ASN A 45 -12.400 -4.274 -4.090 1.00 0.00 C ATOM 721 CG ASN A 45 -13.599 -5.199 -4.146 1.00 0.00 C ATOM 722 OD1 ASN A 45 -13.924 -5.741 -5.194 1.00 0.00 O ATOM 723 ND2 ASN A 45 -14.337 -5.314 -3.064 1.00 0.00 N ATOM 0 H ASN A 45 -11.024 -5.012 -5.949 1.00 0.00 H new ATOM 0 HA ASN A 45 -13.266 -3.317 -5.826 1.00 0.00 H new ATOM 0 HB2 ASN A 45 -11.492 -4.857 -3.934 1.00 0.00 H new ATOM 0 HB3 ASN A 45 -12.496 -3.599 -3.240 1.00 0.00 H new ATOM 0 HD21 ASN A 45 -15.197 -5.862 -3.089 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -14.050 -4.855 -2.200 1.00 0.00 H new ATOM 730 N ARG A 46 -12.287 -1.010 -5.579 1.00 0.00 N ATOM 731 CA ARG A 46 -11.875 0.340 -5.218 1.00 0.00 C ATOM 732 C ARG A 46 -11.851 0.566 -3.706 1.00 0.00 C ATOM 733 O ARG A 46 -11.101 1.415 -3.238 1.00 0.00 O ATOM 734 CB ARG A 46 -12.787 1.324 -5.959 1.00 0.00 C ATOM 735 CG ARG A 46 -14.167 1.530 -5.315 1.00 0.00 C ATOM 736 CD ARG A 46 -15.303 1.578 -6.337 1.00 0.00 C ATOM 737 NE ARG A 46 -15.471 2.900 -6.959 1.00 0.00 N ATOM 738 CZ ARG A 46 -16.613 3.286 -7.532 1.00 0.00 C ATOM 739 NH1 ARG A 46 -17.524 2.389 -7.897 1.00 0.00 N ATOM 740 NH2 ARG A 46 -16.845 4.578 -7.715 1.00 0.00 N ATOM 0 H ARG A 46 -13.071 -1.047 -6.231 1.00 0.00 H new ATOM 0 HA ARG A 46 -10.842 0.504 -5.527 1.00 0.00 H new ATOM 0 HB2 ARG A 46 -12.283 2.288 -6.022 1.00 0.00 H new ATOM 0 HB3 ARG A 46 -12.927 0.970 -6.980 1.00 0.00 H new ATOM 0 HG2 ARG A 46 -14.356 0.722 -4.608 1.00 0.00 H new ATOM 0 HG3 ARG A 46 -14.160 2.458 -4.744 1.00 0.00 H new ATOM 0 HD2 ARG A 46 -15.113 0.839 -7.116 1.00 0.00 H new ATOM 0 HD3 ARG A 46 -16.235 1.293 -5.848 1.00 0.00 H new ATOM 0 HE ARG A 46 -14.683 3.548 -6.952 1.00 0.00 H new ATOM 0 HH11 ARG A 46 -17.353 1.396 -7.740 1.00 0.00 H new ATOM 0 HH12 ARG A 46 -18.394 2.694 -8.334 1.00 0.00 H new ATOM 0 HH21 ARG A 46 -16.154 5.267 -7.419 1.00 0.00 H new ATOM 0 HH22 ARG A 46 -17.715 4.883 -8.152 1.00 0.00 H new ATOM 754 N GLU A 47 -12.640 -0.190 -2.938 1.00 0.00 N ATOM 755 CA GLU A 47 -12.691 -0.049 -1.492 1.00 0.00 C ATOM 756 C GLU A 47 -11.373 -0.495 -0.850 1.00 0.00 C ATOM 757 O GLU A 47 -11.007 0.068 0.180 1.00 0.00 O ATOM 758 CB GLU A 47 -13.913 -0.784 -0.906 1.00 0.00 C ATOM 759 CG GLU A 47 -15.217 -0.209 -1.480 1.00 0.00 C ATOM 760 CD GLU A 47 -16.442 -0.616 -0.660 1.00 0.00 C ATOM 761 OE1 GLU A 47 -16.775 -1.821 -0.595 1.00 0.00 O ATOM 762 OE2 GLU A 47 -17.112 0.285 -0.105 1.00 0.00 O ATOM 0 H GLU A 47 -13.258 -0.914 -3.306 1.00 0.00 H new ATOM 0 HA GLU A 47 -12.816 1.007 -1.253 1.00 0.00 H new ATOM 0 HB2 GLU A 47 -13.847 -1.848 -1.133 1.00 0.00 H new ATOM 0 HB3 GLU A 47 -13.915 -0.689 0.180 1.00 0.00 H new ATOM 0 HG2 GLU A 47 -15.149 0.878 -1.512 1.00 0.00 H new ATOM 0 HG3 GLU A 47 -15.341 -0.551 -2.508 1.00 0.00 H new ATOM 769 N THR A 48 -10.616 -1.428 -1.451 1.00 0.00 N ATOM 770 CA THR A 48 -9.273 -1.737 -0.970 1.00 0.00 C ATOM 771 C THR A 48 -8.378 -0.526 -1.244 1.00 0.00 C ATOM 772 O THR A 48 -7.611 -0.101 -0.389 1.00 0.00 O ATOM 773 CB THR A 48 -8.700 -3.021 -1.598 1.00 0.00 C ATOM 774 OG1 THR A 48 -8.326 -2.828 -2.943 1.00 0.00 O ATOM 775 CG2 THR A 48 -9.632 -4.228 -1.551 1.00 0.00 C ATOM 0 H THR A 48 -10.913 -1.972 -2.261 1.00 0.00 H new ATOM 0 HA THR A 48 -9.316 -1.935 0.101 1.00 0.00 H new ATOM 0 HB THR A 48 -7.833 -3.238 -0.975 1.00 0.00 H new ATOM 0 HG1 THR A 48 -9.111 -2.560 -3.465 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.143 -5.084 -2.016 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.869 -4.465 -0.514 1.00 0.00 H new ATOM 0 HG23 THR A 48 -10.552 -3.999 -2.090 1.00 0.00 H new ATOM 783 N GLY A 49 -8.536 0.091 -2.416 1.00 0.00 N ATOM 784 CA GLY A 49 -7.826 1.280 -2.834 1.00 0.00 C ATOM 785 C GLY A 49 -7.993 2.428 -1.844 1.00 0.00 C ATOM 786 O GLY A 49 -7.013 3.015 -1.386 1.00 0.00 O ATOM 0 H GLY A 49 -9.191 -0.245 -3.122 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -6.767 1.049 -2.944 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -8.188 1.592 -3.814 1.00 0.00 H new ATOM 790 N CYS A 50 -9.235 2.752 -1.484 1.00 0.00 N ATOM 791 CA CYS A 50 -9.484 3.770 -0.473 1.00 0.00 C ATOM 792 C CYS A 50 -9.014 3.328 0.914 1.00 0.00 C ATOM 793 O CYS A 50 -8.574 4.175 1.690 1.00 0.00 O ATOM 794 CB CYS A 50 -10.952 4.197 -0.482 1.00 0.00 C ATOM 795 SG CYS A 50 -11.134 5.852 -1.190 1.00 0.00 S ATOM 0 H CYS A 50 -10.075 2.326 -1.876 1.00 0.00 H new ATOM 0 HA CYS A 50 -8.888 4.646 -0.728 1.00 0.00 H new ATOM 0 HB2 CYS A 50 -11.540 3.483 -1.059 1.00 0.00 H new ATOM 0 HB3 CYS A 50 -11.345 4.186 0.535 1.00 0.00 H new ATOM 800 N ALA A 51 -9.046 2.029 1.231 1.00 0.00 N ATOM 801 CA ALA A 51 -8.456 1.524 2.463 1.00 0.00 C ATOM 802 C ALA A 51 -6.963 1.855 2.500 1.00 0.00 C ATOM 803 O ALA A 51 -6.518 2.462 3.472 1.00 0.00 O ATOM 804 CB ALA A 51 -8.706 0.025 2.629 1.00 0.00 C ATOM 0 H ALA A 51 -9.476 1.312 0.647 1.00 0.00 H new ATOM 0 HA ALA A 51 -8.938 2.018 3.307 1.00 0.00 H new ATOM 0 HB1 ALA A 51 -8.252 -0.319 3.559 1.00 0.00 H new ATOM 0 HB2 ALA A 51 -9.779 -0.164 2.657 1.00 0.00 H new ATOM 0 HB3 ALA A 51 -8.265 -0.513 1.790 1.00 0.00 H new ATOM 810 N ILE A 52 -6.210 1.508 1.451 1.00 0.00 N ATOM 811 CA ILE A 52 -4.791 1.820 1.277 1.00 0.00 C ATOM 812 C ILE A 52 -4.582 3.320 1.502 1.00 0.00 C ATOM 813 O ILE A 52 -3.728 3.695 2.300 1.00 0.00 O ATOM 814 CB ILE A 52 -4.308 1.355 -0.121 1.00 0.00 C ATOM 815 CG1 ILE A 52 -4.317 -0.180 -0.256 1.00 0.00 C ATOM 816 CG2 ILE A 52 -2.884 1.841 -0.444 1.00 0.00 C ATOM 817 CD1 ILE A 52 -4.403 -0.637 -1.713 1.00 0.00 C ATOM 0 H ILE A 52 -6.591 0.979 0.667 1.00 0.00 H new ATOM 0 HA ILE A 52 -4.190 1.282 2.010 1.00 0.00 H new ATOM 0 HB ILE A 52 -5.015 1.797 -0.823 1.00 0.00 H new ATOM 0 HG12 ILE A 52 -3.413 -0.587 0.197 1.00 0.00 H new ATOM 0 HG13 ILE A 52 -5.162 -0.586 0.300 1.00 0.00 H new ATOM 0 HG21 ILE A 52 -2.595 1.488 -1.434 1.00 0.00 H new ATOM 0 HG22 ILE A 52 -2.858 2.931 -0.426 1.00 0.00 H new ATOM 0 HG23 ILE A 52 -2.189 1.449 0.298 1.00 0.00 H new ATOM 0 HD11 ILE A 52 -4.406 -1.726 -1.753 1.00 0.00 H new ATOM 0 HD12 ILE A 52 -5.320 -0.255 -2.161 1.00 0.00 H new ATOM 0 HD13 ILE A 52 -3.544 -0.256 -2.265 1.00 0.00 H new ATOM 829 N MET A 53 -5.369 4.174 0.841 1.00 0.00 N ATOM 830 CA MET A 53 -5.220 5.624 0.946 1.00 0.00 C ATOM 831 C MET A 53 -5.382 6.097 2.395 1.00 0.00 C ATOM 832 O MET A 53 -4.588 6.904 2.882 1.00 0.00 O ATOM 833 CB MET A 53 -6.232 6.311 0.020 1.00 0.00 C ATOM 834 CG MET A 53 -5.782 7.727 -0.364 1.00 0.00 C ATOM 835 SD MET A 53 -6.926 9.072 0.036 1.00 0.00 S ATOM 836 CE MET A 53 -8.410 8.514 -0.842 1.00 0.00 C ATOM 0 H MET A 53 -6.123 3.879 0.221 1.00 0.00 H new ATOM 0 HA MET A 53 -4.213 5.898 0.633 1.00 0.00 H new ATOM 0 HB2 MET A 53 -6.363 5.714 -0.882 1.00 0.00 H new ATOM 0 HB3 MET A 53 -7.202 6.359 0.514 1.00 0.00 H new ATOM 0 HG2 MET A 53 -4.831 7.929 0.130 1.00 0.00 H new ATOM 0 HG3 MET A 53 -5.594 7.746 -1.438 1.00 0.00 H new ATOM 0 HE1 MET A 53 -9.086 9.357 -0.986 1.00 0.00 H new ATOM 0 HE2 MET A 53 -8.127 8.106 -1.812 1.00 0.00 H new ATOM 0 HE3 MET A 53 -8.911 7.743 -0.256 1.00 0.00 H new ATOM 846 N CYS A 54 -6.375 5.557 3.109 1.00 0.00 N ATOM 847 CA CYS A 54 -6.550 5.828 4.526 1.00 0.00 C ATOM 848 C CYS A 54 -5.341 5.339 5.327 1.00 0.00 C ATOM 849 O CYS A 54 -4.841 6.097 6.152 1.00 0.00 O ATOM 850 CB CYS A 54 -7.868 5.241 5.036 1.00 0.00 C ATOM 851 SG CYS A 54 -8.207 5.625 6.772 1.00 0.00 S ATOM 0 H CYS A 54 -7.072 4.924 2.717 1.00 0.00 H new ATOM 0 HA CYS A 54 -6.610 6.907 4.670 1.00 0.00 H new ATOM 0 HB2 CYS A 54 -8.686 5.618 4.422 1.00 0.00 H new ATOM 0 HB3 CYS A 54 -7.848 4.159 4.909 1.00 0.00 H new ATOM 856 N LEU A 55 -4.835 4.121 5.088 1.00 0.00 N ATOM 857 CA LEU A 55 -3.658 3.605 5.795 1.00 0.00 C ATOM 858 C LEU A 55 -2.509 4.593 5.630 1.00 0.00 C ATOM 859 O LEU A 55 -1.948 5.039 6.625 1.00 0.00 O ATOM 860 CB LEU A 55 -3.230 2.203 5.316 1.00 0.00 C ATOM 861 CG LEU A 55 -4.249 1.081 5.568 1.00 0.00 C ATOM 862 CD1 LEU A 55 -3.790 -0.207 4.882 1.00 0.00 C ATOM 863 CD2 LEU A 55 -4.544 0.848 7.057 1.00 0.00 C ATOM 0 H LEU A 55 -5.227 3.472 4.405 1.00 0.00 H new ATOM 0 HA LEU A 55 -3.925 3.499 6.846 1.00 0.00 H new ATOM 0 HB2 LEU A 55 -3.024 2.250 4.247 1.00 0.00 H new ATOM 0 HB3 LEU A 55 -2.295 1.939 5.809 1.00 0.00 H new ATOM 0 HG LEU A 55 -5.194 1.404 5.130 1.00 0.00 H new ATOM 0 HD11 LEU A 55 -4.518 -0.997 5.066 1.00 0.00 H new ATOM 0 HD12 LEU A 55 -3.703 -0.037 3.809 1.00 0.00 H new ATOM 0 HD13 LEU A 55 -2.821 -0.507 5.282 1.00 0.00 H new ATOM 0 HD21 LEU A 55 -5.271 0.043 7.162 1.00 0.00 H new ATOM 0 HD22 LEU A 55 -3.623 0.575 7.572 1.00 0.00 H new ATOM 0 HD23 LEU A 55 -4.948 1.761 7.495 1.00 0.00 H new ATOM 875 N SER A 56 -2.196 4.987 4.396 1.00 0.00 N ATOM 876 CA SER A 56 -1.204 6.005 4.098 1.00 0.00 C ATOM 877 C SER A 56 -1.430 7.277 4.913 1.00 0.00 C ATOM 878 O SER A 56 -0.528 7.698 5.637 1.00 0.00 O ATOM 879 CB SER A 56 -1.200 6.270 2.595 1.00 0.00 C ATOM 880 OG SER A 56 -0.708 5.115 1.949 1.00 0.00 O ATOM 0 H SER A 56 -2.637 4.596 3.563 1.00 0.00 H new ATOM 0 HA SER A 56 -0.219 5.642 4.391 1.00 0.00 H new ATOM 0 HB2 SER A 56 -2.206 6.502 2.246 1.00 0.00 H new ATOM 0 HB3 SER A 56 -0.575 7.132 2.362 1.00 0.00 H new ATOM 0 HG SER A 56 -0.698 5.261 0.980 1.00 0.00 H new ATOM 886 N THR A 57 -2.603 7.906 4.843 1.00 0.00 N ATOM 887 CA THR A 57 -2.820 9.150 5.574 1.00 0.00 C ATOM 888 C THR A 57 -2.607 8.940 7.084 1.00 0.00 C ATOM 889 O THR A 57 -1.927 9.745 7.723 1.00 0.00 O ATOM 890 CB THR A 57 -4.194 9.730 5.205 1.00 0.00 C ATOM 891 OG1 THR A 57 -4.072 11.126 5.036 1.00 0.00 O ATOM 892 CG2 THR A 57 -5.283 9.486 6.233 1.00 0.00 C ATOM 0 H THR A 57 -3.402 7.581 4.298 1.00 0.00 H new ATOM 0 HA THR A 57 -2.080 9.895 5.282 1.00 0.00 H new ATOM 0 HB THR A 57 -4.495 9.215 4.293 1.00 0.00 H new ATOM 0 HG1 THR A 57 -4.944 11.504 4.799 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.216 9.931 5.887 1.00 0.00 H new ATOM 0 HG22 THR A 57 -5.421 8.413 6.369 1.00 0.00 H new ATOM 0 HG23 THR A 57 -4.995 9.938 7.182 1.00 0.00 H new ATOM 900 N LYS A 58 -3.145 7.848 7.639 1.00 0.00 N ATOM 901 CA LYS A 58 -3.023 7.463 9.045 1.00 0.00 C ATOM 902 C LYS A 58 -1.589 7.139 9.461 1.00 0.00 C ATOM 903 O LYS A 58 -1.361 6.946 10.656 1.00 0.00 O ATOM 904 CB LYS A 58 -3.931 6.260 9.322 1.00 0.00 C ATOM 905 CG LYS A 58 -5.417 6.669 9.280 1.00 0.00 C ATOM 906 CD LYS A 58 -6.154 6.235 10.544 1.00 0.00 C ATOM 907 CE LYS A 58 -7.604 6.737 10.560 1.00 0.00 C ATOM 908 NZ LYS A 58 -7.726 8.127 11.052 1.00 0.00 N ATOM 0 H LYS A 58 -3.698 7.184 7.098 1.00 0.00 H new ATOM 0 HA LYS A 58 -3.331 8.323 9.640 1.00 0.00 H new ATOM 0 HB2 LYS A 58 -3.744 5.481 8.584 1.00 0.00 H new ATOM 0 HB3 LYS A 58 -3.694 5.838 10.298 1.00 0.00 H new ATOM 0 HG2 LYS A 58 -5.494 7.750 9.166 1.00 0.00 H new ATOM 0 HG3 LYS A 58 -5.894 6.221 8.408 1.00 0.00 H new ATOM 0 HD2 LYS A 58 -6.145 5.147 10.614 1.00 0.00 H new ATOM 0 HD3 LYS A 58 -5.628 6.615 11.420 1.00 0.00 H new ATOM 0 HE2 LYS A 58 -8.016 6.676 9.553 1.00 0.00 H new ATOM 0 HE3 LYS A 58 -8.204 6.080 11.190 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 -8.619 8.233 11.575 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 -6.928 8.343 11.682 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 -7.717 8.783 10.245 1.00 0.00 H new ATOM 922 N LEU A 59 -0.650 7.061 8.516 1.00 0.00 N ATOM 923 CA LEU A 59 0.774 6.849 8.750 1.00 0.00 C ATOM 924 C LEU A 59 1.568 8.104 8.364 1.00 0.00 C ATOM 925 O LEU A 59 2.772 8.011 8.111 1.00 0.00 O ATOM 926 CB LEU A 59 1.273 5.636 7.946 1.00 0.00 C ATOM 927 CG LEU A 59 0.587 4.311 8.317 1.00 0.00 C ATOM 928 CD1 LEU A 59 0.802 3.303 7.191 1.00 0.00 C ATOM 929 CD2 LEU A 59 1.115 3.738 9.632 1.00 0.00 C ATOM 0 H LEU A 59 -0.874 7.148 7.525 1.00 0.00 H new ATOM 0 HA LEU A 59 0.927 6.651 9.811 1.00 0.00 H new ATOM 0 HB2 LEU A 59 1.117 5.828 6.884 1.00 0.00 H new ATOM 0 HB3 LEU A 59 2.347 5.531 8.097 1.00 0.00 H new ATOM 0 HG LEU A 59 -0.476 4.509 8.452 1.00 0.00 H new ATOM 0 HD11 LEU A 59 0.318 2.361 7.448 1.00 0.00 H new ATOM 0 HD12 LEU A 59 0.372 3.692 6.268 1.00 0.00 H new ATOM 0 HD13 LEU A 59 1.870 3.136 7.052 1.00 0.00 H new ATOM 0 HD21 LEU A 59 0.602 2.802 9.853 1.00 0.00 H new ATOM 0 HD22 LEU A 59 2.186 3.553 9.544 1.00 0.00 H new ATOM 0 HD23 LEU A 59 0.935 4.450 10.437 1.00 0.00 H new ATOM 941 N ASN A 60 0.903 9.257 8.241 1.00 0.00 N ATOM 942 CA ASN A 60 1.416 10.536 7.765 1.00 0.00 C ATOM 943 C ASN A 60 2.090 10.391 6.403 1.00 0.00 C ATOM 944 O ASN A 60 3.224 10.836 6.227 1.00 0.00 O ATOM 945 CB ASN A 60 2.326 11.220 8.803 1.00 0.00 C ATOM 946 CG ASN A 60 2.367 12.715 8.527 1.00 0.00 C ATOM 947 OD1 ASN A 60 1.376 13.400 8.764 1.00 0.00 O ATOM 948 ND2 ASN A 60 3.486 13.248 8.076 1.00 0.00 N ATOM 0 H ASN A 60 -0.084 9.320 8.492 1.00 0.00 H new ATOM 0 HA ASN A 60 0.562 11.199 7.629 1.00 0.00 H new ATOM 0 HB2 ASN A 60 1.952 11.034 9.810 1.00 0.00 H new ATOM 0 HB3 ASN A 60 3.331 10.802 8.754 1.00 0.00 H new ATOM 0 HD21 ASN A 60 3.543 14.254 7.916 1.00 0.00 H new ATOM 0 HD22 ASN A 60 4.294 12.655 7.888 1.00 0.00 H new ATOM 955 N MET A 61 1.414 9.739 5.444 1.00 0.00 N ATOM 956 CA MET A 61 1.998 9.541 4.111 1.00 0.00 C ATOM 957 C MET A 61 1.312 10.358 3.024 1.00 0.00 C ATOM 958 O MET A 61 1.713 10.229 1.875 1.00 0.00 O ATOM 959 CB MET A 61 2.120 8.059 3.705 1.00 0.00 C ATOM 960 CG MET A 61 3.335 7.373 4.321 1.00 0.00 C ATOM 961 SD MET A 61 3.825 5.875 3.433 1.00 0.00 S ATOM 962 CE MET A 61 2.906 4.635 4.370 1.00 0.00 C ATOM 0 H MET A 61 0.480 9.347 5.564 1.00 0.00 H new ATOM 0 HA MET A 61 3.014 9.925 4.203 1.00 0.00 H new ATOM 0 HB2 MET A 61 1.217 7.529 4.008 1.00 0.00 H new ATOM 0 HB3 MET A 61 2.181 7.989 2.619 1.00 0.00 H new ATOM 0 HG2 MET A 61 4.172 8.071 4.334 1.00 0.00 H new ATOM 0 HG3 MET A 61 3.115 7.119 5.358 1.00 0.00 H new ATOM 0 HE1 MET A 61 2.677 3.787 3.725 1.00 0.00 H new ATOM 0 HE2 MET A 61 3.508 4.297 5.214 1.00 0.00 H new ATOM 0 HE3 MET A 61 1.978 5.072 4.738 1.00 0.00 H new ATOM 972 N LEU A 62 0.334 11.206 3.345 1.00 0.00 N ATOM 973 CA LEU A 62 -0.215 12.149 2.380 1.00 0.00 C ATOM 974 C LEU A 62 0.261 13.530 2.781 1.00 0.00 C ATOM 975 O LEU A 62 -0.102 14.022 3.850 1.00 0.00 O ATOM 976 CB LEU A 62 -1.738 12.042 2.262 1.00 0.00 C ATOM 977 CG LEU A 62 -2.198 10.730 1.596 1.00 0.00 C ATOM 978 CD1 LEU A 62 -3.720 10.740 1.481 1.00 0.00 C ATOM 979 CD2 LEU A 62 -1.627 10.503 0.187 1.00 0.00 C ATOM 0 H LEU A 62 -0.093 11.256 4.270 1.00 0.00 H new ATOM 0 HA LEU A 62 0.143 11.919 1.376 1.00 0.00 H new ATOM 0 HB2 LEU A 62 -2.180 12.113 3.256 1.00 0.00 H new ATOM 0 HB3 LEU A 62 -2.113 12.887 1.685 1.00 0.00 H new ATOM 0 HG LEU A 62 -1.827 9.925 2.231 1.00 0.00 H new ATOM 0 HD11 LEU A 62 -4.055 9.816 1.011 1.00 0.00 H new ATOM 0 HD12 LEU A 62 -4.159 10.822 2.475 1.00 0.00 H new ATOM 0 HD13 LEU A 62 -4.033 11.590 0.875 1.00 0.00 H new ATOM 0 HD21 LEU A 62 -2.000 9.558 -0.209 1.00 0.00 H new ATOM 0 HD22 LEU A 62 -1.937 11.318 -0.467 1.00 0.00 H new ATOM 0 HD23 LEU A 62 -0.539 10.471 0.236 1.00 0.00 H new ATOM 991 N ASP A 63 1.117 14.102 1.939 1.00 0.00 N ATOM 992 CA ASP A 63 1.681 15.438 2.070 1.00 0.00 C ATOM 993 C ASP A 63 0.573 16.509 2.029 1.00 0.00 C ATOM 994 O ASP A 63 -0.595 16.184 1.780 1.00 0.00 O ATOM 995 CB ASP A 63 2.740 15.652 0.965 1.00 0.00 C ATOM 996 CG ASP A 63 2.221 16.440 -0.247 1.00 0.00 C ATOM 997 OD1 ASP A 63 1.160 16.102 -0.807 1.00 0.00 O ATOM 998 OD2 ASP A 63 2.878 17.446 -0.613 1.00 0.00 O ATOM 0 H ASP A 63 1.452 13.620 1.105 1.00 0.00 H new ATOM 0 HA ASP A 63 2.171 15.536 3.039 1.00 0.00 H new ATOM 0 HB2 ASP A 63 3.594 16.179 1.390 1.00 0.00 H new ATOM 0 HB3 ASP A 63 3.101 14.680 0.627 1.00 0.00 H new ATOM 1003 N PRO A 64 0.904 17.800 2.219 1.00 0.00 N ATOM 1004 CA PRO A 64 -0.070 18.885 2.167 1.00 0.00 C ATOM 1005 C PRO A 64 -0.925 18.946 0.890 1.00 0.00 C ATOM 1006 O PRO A 64 -2.052 19.444 0.956 1.00 0.00 O ATOM 1007 CB PRO A 64 0.745 20.169 2.340 1.00 0.00 C ATOM 1008 CG PRO A 64 1.967 19.714 3.139 1.00 0.00 C ATOM 1009 CD PRO A 64 2.219 18.312 2.591 1.00 0.00 C ATOM 0 HA PRO A 64 -0.811 18.730 2.951 1.00 0.00 H new ATOM 0 HB2 PRO A 64 1.031 20.595 1.378 1.00 0.00 H new ATOM 0 HB3 PRO A 64 0.180 20.934 2.872 1.00 0.00 H new ATOM 0 HG2 PRO A 64 2.822 20.371 2.981 1.00 0.00 H new ATOM 0 HG3 PRO A 64 1.769 19.701 4.211 1.00 0.00 H new ATOM 0 HD2 PRO A 64 2.887 18.341 1.730 1.00 0.00 H new ATOM 0 HD3 PRO A 64 2.691 17.676 3.340 1.00 0.00 H new ATOM 1017 N GLU A 65 -0.453 18.423 -0.246 1.00 0.00 N ATOM 1018 CA GLU A 65 -1.166 18.463 -1.524 1.00 0.00 C ATOM 1019 C GLU A 65 -2.105 17.255 -1.605 1.00 0.00 C ATOM 1020 O GLU A 65 -3.107 17.258 -2.319 1.00 0.00 O ATOM 1021 CB GLU A 65 -0.209 18.392 -2.724 1.00 0.00 C ATOM 1022 CG GLU A 65 0.915 19.420 -2.667 1.00 0.00 C ATOM 1023 CD GLU A 65 0.506 20.840 -3.023 1.00 0.00 C ATOM 1024 OE1 GLU A 65 -0.283 21.455 -2.278 1.00 0.00 O ATOM 1025 OE2 GLU A 65 1.137 21.423 -3.937 1.00 0.00 O ATOM 0 H GLU A 65 0.450 17.953 -0.303 1.00 0.00 H new ATOM 0 HA GLU A 65 -1.710 19.407 -1.567 1.00 0.00 H new ATOM 0 HB2 GLU A 65 0.225 17.393 -2.774 1.00 0.00 H new ATOM 0 HB3 GLU A 65 -0.778 18.538 -3.642 1.00 0.00 H new ATOM 0 HG2 GLU A 65 1.336 19.421 -1.662 1.00 0.00 H new ATOM 0 HG3 GLU A 65 1.709 19.106 -3.345 1.00 0.00 H new ATOM 1032 N GLY A 66 -1.762 16.194 -0.877 1.00 0.00 N ATOM 1033 CA GLY A 66 -2.349 14.879 -0.935 1.00 0.00 C ATOM 1034 C GLY A 66 -1.679 14.018 -2.005 1.00 0.00 C ATOM 1035 O GLY A 66 -2.357 13.209 -2.644 1.00 0.00 O ATOM 0 H GLY A 66 -1.013 16.246 -0.186 1.00 0.00 H new ATOM 0 HA2 GLY A 66 -2.255 14.394 0.036 1.00 0.00 H new ATOM 0 HA3 GLY A 66 -3.415 14.963 -1.148 1.00 0.00 H new ATOM 1039 N ASN A 67 -0.380 14.230 -2.243 1.00 0.00 N ATOM 1040 CA ASN A 67 0.511 13.296 -2.926 1.00 0.00 C ATOM 1041 C ASN A 67 1.226 12.475 -1.851 1.00 0.00 C ATOM 1042 O ASN A 67 1.135 12.795 -0.665 1.00 0.00 O ATOM 1043 CB ASN A 67 1.530 14.056 -3.791 1.00 0.00 C ATOM 1044 CG ASN A 67 0.888 14.638 -5.038 1.00 0.00 C ATOM 1045 OD1 ASN A 67 0.924 14.029 -6.107 1.00 0.00 O ATOM 1046 ND2 ASN A 67 0.278 15.805 -4.941 1.00 0.00 N ATOM 0 H ASN A 67 0.092 15.087 -1.954 1.00 0.00 H new ATOM 0 HA ASN A 67 -0.057 12.644 -3.590 1.00 0.00 H new ATOM 0 HB2 ASN A 67 1.978 14.858 -3.205 1.00 0.00 H new ATOM 0 HB3 ASN A 67 2.337 13.382 -4.078 1.00 0.00 H new ATOM 0 HD21 ASN A 67 -0.172 16.215 -5.759 1.00 0.00 H new ATOM 0 HD22 ASN A 67 0.257 16.297 -4.048 1.00 0.00 H new ATOM 1053 N LEU A 68 1.938 11.414 -2.238 1.00 0.00 N ATOM 1054 CA LEU A 68 2.600 10.554 -1.263 1.00 0.00 C ATOM 1055 C LEU A 68 3.858 11.245 -0.742 1.00 0.00 C ATOM 1056 O LEU A 68 4.707 11.670 -1.526 1.00 0.00 O ATOM 1057 CB LEU A 68 2.897 9.183 -1.872 1.00 0.00 C ATOM 1058 CG LEU A 68 3.247 8.112 -0.820 1.00 0.00 C ATOM 1059 CD1 LEU A 68 2.770 6.760 -1.336 1.00 0.00 C ATOM 1060 CD2 LEU A 68 4.748 7.987 -0.562 1.00 0.00 C ATOM 0 H LEU A 68 2.068 11.134 -3.210 1.00 0.00 H new ATOM 0 HA LEU A 68 1.939 10.384 -0.413 1.00 0.00 H new ATOM 0 HB2 LEU A 68 2.030 8.851 -2.444 1.00 0.00 H new ATOM 0 HB3 LEU A 68 3.725 9.277 -2.575 1.00 0.00 H new ATOM 0 HG LEU A 68 2.764 8.411 0.110 1.00 0.00 H new ATOM 0 HD11 LEU A 68 3.008 5.987 -0.605 1.00 0.00 H new ATOM 0 HD12 LEU A 68 1.692 6.790 -1.493 1.00 0.00 H new ATOM 0 HD13 LEU A 68 3.268 6.534 -2.279 1.00 0.00 H new ATOM 0 HD21 LEU A 68 4.925 7.216 0.188 1.00 0.00 H new ATOM 0 HD22 LEU A 68 5.255 7.716 -1.488 1.00 0.00 H new ATOM 0 HD23 LEU A 68 5.136 8.940 -0.202 1.00 0.00 H new ATOM 1072 N HIS A 69 3.970 11.373 0.579 1.00 0.00 N ATOM 1073 CA HIS A 69 5.107 11.988 1.238 1.00 0.00 C ATOM 1074 C HIS A 69 6.269 10.994 1.303 1.00 0.00 C ATOM 1075 O HIS A 69 6.405 10.242 2.270 1.00 0.00 O ATOM 1076 CB HIS A 69 4.717 12.501 2.630 1.00 0.00 C ATOM 1077 CG HIS A 69 5.771 13.399 3.239 1.00 0.00 C ATOM 1078 ND1 HIS A 69 7.126 13.368 2.973 1.00 0.00 N ATOM 1079 CD2 HIS A 69 5.557 14.391 4.158 1.00 0.00 C ATOM 1080 CE1 HIS A 69 7.720 14.290 3.738 1.00 0.00 C ATOM 1081 NE2 HIS A 69 6.804 14.956 4.466 1.00 0.00 N ATOM 0 H HIS A 69 3.256 11.044 1.229 1.00 0.00 H new ATOM 0 HA HIS A 69 5.433 12.852 0.658 1.00 0.00 H new ATOM 0 HB2 HIS A 69 3.776 13.047 2.561 1.00 0.00 H new ATOM 0 HB3 HIS A 69 4.544 11.651 3.290 1.00 0.00 H new ATOM 0 HD2 HIS A 69 4.603 14.685 4.570 1.00 0.00 H new ATOM 0 HE1 HIS A 69 8.784 14.474 3.768 1.00 0.00 H new ATOM 0 HE2 HIS A 69 6.982 15.722 5.115 1.00 0.00 H new ATOM 1089 N HIS A 70 7.135 11.007 0.292 1.00 0.00 N ATOM 1090 CA HIS A 70 8.225 10.041 0.159 1.00 0.00 C ATOM 1091 C HIS A 70 9.200 10.059 1.343 1.00 0.00 C ATOM 1092 O HIS A 70 9.676 8.999 1.745 1.00 0.00 O ATOM 1093 CB HIS A 70 8.985 10.288 -1.139 1.00 0.00 C ATOM 1094 CG HIS A 70 8.085 10.403 -2.338 1.00 0.00 C ATOM 1095 ND1 HIS A 70 7.878 11.551 -3.061 1.00 0.00 N ATOM 1096 CD2 HIS A 70 7.285 9.423 -2.862 1.00 0.00 C ATOM 1097 CE1 HIS A 70 7.007 11.255 -4.034 1.00 0.00 C ATOM 1098 NE2 HIS A 70 6.605 9.978 -3.947 1.00 0.00 N ATOM 0 H HIS A 70 7.101 11.692 -0.463 1.00 0.00 H new ATOM 0 HA HIS A 70 7.764 9.053 0.146 1.00 0.00 H new ATOM 0 HB2 HIS A 70 9.569 11.203 -1.042 1.00 0.00 H new ATOM 0 HB3 HIS A 70 9.692 9.474 -1.300 1.00 0.00 H new ATOM 0 HD2 HIS A 70 7.197 8.409 -2.502 1.00 0.00 H new ATOM 0 HE1 HIS A 70 6.673 11.952 -4.788 1.00 0.00 H new ATOM 0 HE2 HIS A 70 5.935 9.506 -4.554 1.00 0.00 H new ATOM 1106 N GLY A 71 9.486 11.234 1.913 1.00 0.00 N ATOM 1107 CA GLY A 71 10.301 11.367 3.118 1.00 0.00 C ATOM 1108 C GLY A 71 9.774 10.483 4.251 1.00 0.00 C ATOM 1109 O GLY A 71 10.457 9.569 4.723 1.00 0.00 O ATOM 0 H GLY A 71 9.154 12.126 1.545 1.00 0.00 H new ATOM 0 HA2 GLY A 71 11.332 11.096 2.893 1.00 0.00 H new ATOM 0 HA3 GLY A 71 10.308 12.408 3.441 1.00 0.00 H new ATOM 1113 N ASN A 72 8.525 10.734 4.657 1.00 0.00 N ATOM 1114 CA ASN A 72 7.841 9.989 5.713 1.00 0.00 C ATOM 1115 C ASN A 72 7.747 8.504 5.377 1.00 0.00 C ATOM 1116 O ASN A 72 7.861 7.657 6.268 1.00 0.00 O ATOM 1117 CB ASN A 72 6.429 10.557 5.928 1.00 0.00 C ATOM 1118 CG ASN A 72 6.450 11.669 6.962 1.00 0.00 C ATOM 1119 OD1 ASN A 72 6.963 12.747 6.697 1.00 0.00 O ATOM 1120 ND2 ASN A 72 5.941 11.430 8.157 1.00 0.00 N ATOM 0 H ASN A 72 7.953 11.475 4.252 1.00 0.00 H new ATOM 0 HA ASN A 72 8.425 10.097 6.627 1.00 0.00 H new ATOM 0 HB2 ASN A 72 6.037 10.938 4.985 1.00 0.00 H new ATOM 0 HB3 ASN A 72 5.758 9.763 6.254 1.00 0.00 H new ATOM 0 HD21 ASN A 72 5.972 12.151 8.878 1.00 0.00 H new ATOM 0 HD22 ASN A 72 5.517 10.524 8.359 1.00 0.00 H new ATOM 1127 N ALA A 73 7.521 8.198 4.099 1.00 0.00 N ATOM 1128 CA ALA A 73 7.424 6.851 3.572 1.00 0.00 C ATOM 1129 C ALA A 73 8.736 6.088 3.788 1.00 0.00 C ATOM 1130 O ALA A 73 8.714 5.027 4.412 1.00 0.00 O ATOM 1131 CB ALA A 73 7.013 6.932 2.101 1.00 0.00 C ATOM 0 H ALA A 73 7.397 8.913 3.382 1.00 0.00 H new ATOM 0 HA ALA A 73 6.660 6.285 4.106 1.00 0.00 H new ATOM 0 HB1 ALA A 73 6.935 5.926 1.689 1.00 0.00 H new ATOM 0 HB2 ALA A 73 6.048 7.433 2.020 1.00 0.00 H new ATOM 0 HB3 ALA A 73 7.762 7.495 1.544 1.00 0.00 H new ATOM 1137 N MET A 74 9.871 6.629 3.333 1.00 0.00 N ATOM 1138 CA MET A 74 11.194 6.036 3.492 1.00 0.00 C ATOM 1139 C MET A 74 11.574 5.887 4.962 1.00 0.00 C ATOM 1140 O MET A 74 12.156 4.867 5.339 1.00 0.00 O ATOM 1141 CB MET A 74 12.237 6.895 2.763 1.00 0.00 C ATOM 1142 CG MET A 74 13.633 6.282 2.937 1.00 0.00 C ATOM 1143 SD MET A 74 14.815 6.654 1.627 1.00 0.00 S ATOM 1144 CE MET A 74 14.260 5.433 0.409 1.00 0.00 C ATOM 0 H MET A 74 9.890 7.516 2.830 1.00 0.00 H new ATOM 0 HA MET A 74 11.169 5.038 3.055 1.00 0.00 H new ATOM 0 HB2 MET A 74 11.989 6.962 1.704 1.00 0.00 H new ATOM 0 HB3 MET A 74 12.225 7.911 3.158 1.00 0.00 H new ATOM 0 HG2 MET A 74 14.047 6.628 3.884 1.00 0.00 H new ATOM 0 HG3 MET A 74 13.528 5.200 3.011 1.00 0.00 H new ATOM 0 HE1 MET A 74 14.986 4.622 0.350 1.00 0.00 H new ATOM 0 HE2 MET A 74 13.292 5.033 0.710 1.00 0.00 H new ATOM 0 HE3 MET A 74 14.168 5.909 -0.567 1.00 0.00 H new ATOM 1154 N GLU A 75 11.240 6.872 5.802 1.00 0.00 N ATOM 1155 CA GLU A 75 11.498 6.765 7.234 1.00 0.00 C ATOM 1156 C GLU A 75 10.838 5.520 7.812 1.00 0.00 C ATOM 1157 O GLU A 75 11.419 4.919 8.707 1.00 0.00 O ATOM 1158 CB GLU A 75 10.987 8.000 7.999 1.00 0.00 C ATOM 1159 CG GLU A 75 12.035 9.112 8.100 1.00 0.00 C ATOM 1160 CD GLU A 75 13.276 8.654 8.872 1.00 0.00 C ATOM 1161 OE1 GLU A 75 13.213 8.474 10.114 1.00 0.00 O ATOM 1162 OE2 GLU A 75 14.323 8.473 8.217 1.00 0.00 O ATOM 0 H GLU A 75 10.795 7.743 5.515 1.00 0.00 H new ATOM 0 HA GLU A 75 12.579 6.699 7.355 1.00 0.00 H new ATOM 0 HB2 GLU A 75 10.099 8.388 7.501 1.00 0.00 H new ATOM 0 HB3 GLU A 75 10.684 7.700 9.002 1.00 0.00 H new ATOM 0 HG2 GLU A 75 12.326 9.429 7.099 1.00 0.00 H new ATOM 0 HG3 GLU A 75 11.598 9.979 8.595 1.00 0.00 H new ATOM 1169 N PHE A 76 9.657 5.130 7.327 1.00 0.00 N ATOM 1170 CA PHE A 76 8.934 3.955 7.799 1.00 0.00 C ATOM 1171 C PHE A 76 9.702 2.692 7.432 1.00 0.00 C ATOM 1172 O PHE A 76 9.723 1.726 8.190 1.00 0.00 O ATOM 1173 CB PHE A 76 7.560 3.918 7.131 1.00 0.00 C ATOM 1174 CG PHE A 76 6.541 2.954 7.702 1.00 0.00 C ATOM 1175 CD1 PHE A 76 5.774 3.294 8.831 1.00 0.00 C ATOM 1176 CD2 PHE A 76 6.303 1.738 7.038 1.00 0.00 C ATOM 1177 CE1 PHE A 76 4.751 2.426 9.265 1.00 0.00 C ATOM 1178 CE2 PHE A 76 5.293 0.867 7.481 1.00 0.00 C ATOM 1179 CZ PHE A 76 4.494 1.225 8.575 1.00 0.00 C ATOM 0 H PHE A 76 9.172 5.632 6.584 1.00 0.00 H new ATOM 0 HA PHE A 76 8.825 4.007 8.882 1.00 0.00 H new ATOM 0 HB2 PHE A 76 7.137 4.922 7.172 1.00 0.00 H new ATOM 0 HB3 PHE A 76 7.702 3.675 6.078 1.00 0.00 H new ATOM 0 HD1 PHE A 76 5.967 4.214 9.362 1.00 0.00 H new ATOM 0 HD2 PHE A 76 6.902 1.471 6.180 1.00 0.00 H new ATOM 0 HE1 PHE A 76 4.161 2.684 10.132 1.00 0.00 H new ATOM 0 HE2 PHE A 76 5.133 -0.076 6.979 1.00 0.00 H new ATOM 0 HZ PHE A 76 3.684 0.583 8.888 1.00 0.00 H new ATOM 1189 N ALA A 77 10.343 2.682 6.268 1.00 0.00 N ATOM 1190 CA ALA A 77 11.095 1.541 5.792 1.00 0.00 C ATOM 1191 C ALA A 77 12.276 1.282 6.734 1.00 0.00 C ATOM 1192 O ALA A 77 12.368 0.215 7.349 1.00 0.00 O ATOM 1193 CB ALA A 77 11.514 1.828 4.352 1.00 0.00 C ATOM 0 H ALA A 77 10.351 3.476 5.627 1.00 0.00 H new ATOM 0 HA ALA A 77 10.501 0.627 5.791 1.00 0.00 H new ATOM 0 HB1 ALA A 77 12.084 0.984 3.964 1.00 0.00 H new ATOM 0 HB2 ALA A 77 10.626 1.979 3.738 1.00 0.00 H new ATOM 0 HB3 ALA A 77 12.131 2.726 4.325 1.00 0.00 H new ATOM 1199 N LYS A 78 13.121 2.296 6.936 1.00 0.00 N ATOM 1200 CA LYS A 78 14.199 2.307 7.919 1.00 0.00 C ATOM 1201 C LYS A 78 13.686 2.393 9.375 1.00 0.00 C ATOM 1202 O LYS A 78 14.480 2.589 10.291 1.00 0.00 O ATOM 1203 CB LYS A 78 15.174 3.441 7.533 1.00 0.00 C ATOM 1204 CG LYS A 78 16.221 3.006 6.471 1.00 0.00 C ATOM 1205 CD LYS A 78 16.040 3.727 5.113 1.00 0.00 C ATOM 1206 CE LYS A 78 16.814 5.040 4.902 1.00 0.00 C ATOM 1207 NZ LYS A 78 18.255 5.004 5.246 1.00 0.00 N ATOM 0 H LYS A 78 13.069 3.161 6.399 1.00 0.00 H new ATOM 0 HA LYS A 78 14.733 1.357 7.897 1.00 0.00 H new ATOM 0 HB2 LYS A 78 14.605 4.287 7.148 1.00 0.00 H new ATOM 0 HB3 LYS A 78 15.693 3.786 8.427 1.00 0.00 H new ATOM 0 HG2 LYS A 78 17.222 3.207 6.852 1.00 0.00 H new ATOM 0 HG3 LYS A 78 16.149 1.929 6.317 1.00 0.00 H new ATOM 0 HD2 LYS A 78 16.329 3.034 4.322 1.00 0.00 H new ATOM 0 HD3 LYS A 78 14.978 3.936 4.981 1.00 0.00 H new ATOM 0 HE2 LYS A 78 16.717 5.332 3.856 1.00 0.00 H new ATOM 0 HE3 LYS A 78 16.338 5.820 5.496 1.00 0.00 H new ATOM 0 HZ1 LYS A 78 18.793 5.556 4.547 1.00 0.00 H new ATOM 0 HZ2 LYS A 78 18.396 5.412 6.192 1.00 0.00 H new ATOM 0 HZ3 LYS A 78 18.589 4.019 5.240 1.00 0.00 H new ATOM 1221 N LYS A 79 12.378 2.248 9.631 1.00 0.00 N ATOM 1222 CA LYS A 79 11.793 2.072 10.969 1.00 0.00 C ATOM 1223 C LYS A 79 11.633 0.594 11.308 1.00 0.00 C ATOM 1224 O LYS A 79 11.608 0.258 12.491 1.00 0.00 O ATOM 1225 CB LYS A 79 10.446 2.819 11.045 1.00 0.00 C ATOM 1226 CG LYS A 79 9.860 3.016 12.446 1.00 0.00 C ATOM 1227 CD LYS A 79 8.876 4.203 12.482 1.00 0.00 C ATOM 1228 CE LYS A 79 7.492 3.963 11.866 1.00 0.00 C ATOM 1229 NZ LYS A 79 6.594 3.244 12.794 1.00 0.00 N ATOM 0 H LYS A 79 11.676 2.250 8.891 1.00 0.00 H new ATOM 0 HA LYS A 79 12.469 2.497 11.711 1.00 0.00 H new ATOM 0 HB2 LYS A 79 10.572 3.799 10.585 1.00 0.00 H new ATOM 0 HB3 LYS A 79 9.718 2.275 10.443 1.00 0.00 H new ATOM 0 HG2 LYS A 79 9.347 2.107 12.759 1.00 0.00 H new ATOM 0 HG3 LYS A 79 10.667 3.188 13.159 1.00 0.00 H new ATOM 0 HD2 LYS A 79 8.740 4.502 13.521 1.00 0.00 H new ATOM 0 HD3 LYS A 79 9.338 5.045 11.966 1.00 0.00 H new ATOM 0 HE2 LYS A 79 7.044 4.919 11.595 1.00 0.00 H new ATOM 0 HE3 LYS A 79 7.599 3.389 10.946 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 5.669 3.101 12.341 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 7.009 2.321 13.033 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 6.472 3.804 13.662 1.00 0.00 H new ATOM 1243 N HIS A 80 11.488 -0.257 10.287 1.00 0.00 N ATOM 1244 CA HIS A 80 11.237 -1.684 10.412 1.00 0.00 C ATOM 1245 C HIS A 80 12.477 -2.537 10.095 1.00 0.00 C ATOM 1246 O HIS A 80 12.440 -3.757 10.260 1.00 0.00 O ATOM 1247 CB HIS A 80 10.117 -2.053 9.438 1.00 0.00 C ATOM 1248 CG HIS A 80 8.798 -1.442 9.813 1.00 0.00 C ATOM 1249 ND1 HIS A 80 8.498 -0.108 9.884 1.00 0.00 N ATOM 1250 CD2 HIS A 80 7.686 -2.131 10.184 1.00 0.00 C ATOM 1251 CE1 HIS A 80 7.253 -0.001 10.356 1.00 0.00 C ATOM 1252 NE2 HIS A 80 6.701 -1.210 10.535 1.00 0.00 N ATOM 0 H HIS A 80 11.546 0.048 9.315 1.00 0.00 H new ATOM 0 HA HIS A 80 10.962 -1.890 11.446 1.00 0.00 H new ATOM 0 HB2 HIS A 80 10.392 -1.727 8.435 1.00 0.00 H new ATOM 0 HB3 HIS A 80 10.014 -3.138 9.404 1.00 0.00 H new ATOM 0 HD1 HIS A 80 9.113 0.663 9.624 1.00 0.00 H new ATOM 0 HD2 HIS A 80 7.584 -3.206 10.203 1.00 0.00 H new ATOM 0 HE1 HIS A 80 6.757 0.935 10.566 1.00 0.00 H new ATOM 1260 N GLY A 81 13.553 -1.942 9.572 1.00 0.00 N ATOM 1261 CA GLY A 81 14.746 -2.654 9.123 1.00 0.00 C ATOM 1262 C GLY A 81 14.716 -3.019 7.643 1.00 0.00 C ATOM 1263 O GLY A 81 15.412 -3.954 7.247 1.00 0.00 O ATOM 0 H GLY A 81 13.617 -0.932 9.448 1.00 0.00 H new ATOM 0 HA2 GLY A 81 15.623 -2.037 9.319 1.00 0.00 H new ATOM 0 HA3 GLY A 81 14.859 -3.565 9.711 1.00 0.00 H new ATOM 1267 N ALA A 82 13.903 -2.347 6.811 1.00 0.00 N ATOM 1268 CA ALA A 82 14.020 -2.542 5.367 1.00 0.00 C ATOM 1269 C ALA A 82 15.410 -2.106 4.941 1.00 0.00 C ATOM 1270 O ALA A 82 15.981 -1.195 5.550 1.00 0.00 O ATOM 1271 CB ALA A 82 12.995 -1.712 4.591 1.00 0.00 C ATOM 0 H ALA A 82 13.183 -1.687 7.105 1.00 0.00 H new ATOM 0 HA ALA A 82 13.839 -3.594 5.148 1.00 0.00 H new ATOM 0 HB1 ALA A 82 13.118 -1.888 3.522 1.00 0.00 H new ATOM 0 HB2 ALA A 82 11.989 -2.002 4.893 1.00 0.00 H new ATOM 0 HB3 ALA A 82 13.147 -0.654 4.804 1.00 0.00 H new ATOM 1277 N ASP A 83 15.909 -2.678 3.851 1.00 0.00 N ATOM 1278 CA ASP A 83 17.191 -2.293 3.291 1.00 0.00 C ATOM 1279 C ASP A 83 17.029 -0.991 2.496 1.00 0.00 C ATOM 1280 O ASP A 83 15.911 -0.577 2.180 1.00 0.00 O ATOM 1281 CB ASP A 83 17.795 -3.405 2.391 1.00 0.00 C ATOM 1282 CG ASP A 83 17.351 -4.882 2.566 1.00 0.00 C ATOM 1283 OD1 ASP A 83 16.137 -5.196 2.599 1.00 0.00 O ATOM 1284 OD2 ASP A 83 18.240 -5.770 2.476 1.00 0.00 O ATOM 0 H ASP A 83 15.435 -3.419 3.335 1.00 0.00 H new ATOM 0 HA ASP A 83 17.887 -2.139 4.116 1.00 0.00 H new ATOM 0 HB2 ASP A 83 17.593 -3.128 1.356 1.00 0.00 H new ATOM 0 HB3 ASP A 83 18.877 -3.375 2.524 1.00 0.00 H new ATOM 1289 N GLU A 84 18.131 -0.310 2.184 1.00 0.00 N ATOM 1290 CA GLU A 84 18.122 1.033 1.612 1.00 0.00 C ATOM 1291 C GLU A 84 17.716 0.973 0.138 1.00 0.00 C ATOM 1292 O GLU A 84 16.852 1.741 -0.280 1.00 0.00 O ATOM 1293 CB GLU A 84 19.520 1.636 1.765 1.00 0.00 C ATOM 1294 CG GLU A 84 19.508 3.030 2.385 1.00 0.00 C ATOM 1295 CD GLU A 84 20.919 3.598 2.318 1.00 0.00 C ATOM 1296 OE1 GLU A 84 21.254 4.214 1.294 1.00 0.00 O ATOM 1297 OE2 GLU A 84 21.685 3.388 3.290 1.00 0.00 O ATOM 0 H GLU A 84 19.070 -0.683 2.324 1.00 0.00 H new ATOM 0 HA GLU A 84 17.398 1.658 2.134 1.00 0.00 H new ATOM 0 HB2 GLU A 84 20.128 0.976 2.383 1.00 0.00 H new ATOM 0 HB3 GLU A 84 19.997 1.685 0.786 1.00 0.00 H new ATOM 0 HG2 GLU A 84 18.813 3.677 1.850 1.00 0.00 H new ATOM 0 HG3 GLU A 84 19.167 2.982 3.419 1.00 0.00 H new ATOM 1304 N THR A 85 18.279 0.043 -0.645 1.00 0.00 N ATOM 1305 CA THR A 85 17.853 -0.192 -2.026 1.00 0.00 C ATOM 1306 C THR A 85 16.391 -0.614 -2.063 1.00 0.00 C ATOM 1307 O THR A 85 15.648 -0.159 -2.928 1.00 0.00 O ATOM 1308 CB THR A 85 18.752 -1.255 -2.672 1.00 0.00 C ATOM 1309 OG1 THR A 85 20.042 -0.692 -2.806 1.00 0.00 O ATOM 1310 CG2 THR A 85 18.259 -1.775 -4.025 1.00 0.00 C ATOM 0 H THR A 85 19.039 -0.564 -0.338 1.00 0.00 H new ATOM 0 HA THR A 85 17.949 0.733 -2.595 1.00 0.00 H new ATOM 0 HB THR A 85 18.747 -2.130 -2.022 1.00 0.00 H new ATOM 0 HG1 THR A 85 20.644 -1.348 -3.215 1.00 0.00 H new ATOM 0 HG21 THR A 85 18.957 -2.521 -4.404 1.00 0.00 H new ATOM 0 HG22 THR A 85 17.275 -2.227 -3.904 1.00 0.00 H new ATOM 0 HG23 THR A 85 18.194 -0.947 -4.731 1.00 0.00 H new ATOM 1318 N MET A 86 15.966 -1.454 -1.118 1.00 0.00 N ATOM 1319 CA MET A 86 14.574 -1.831 -0.972 1.00 0.00 C ATOM 1320 C MET A 86 13.728 -0.578 -0.763 1.00 0.00 C ATOM 1321 O MET A 86 12.766 -0.385 -1.487 1.00 0.00 O ATOM 1322 CB MET A 86 14.453 -2.882 0.149 1.00 0.00 C ATOM 1323 CG MET A 86 13.108 -2.889 0.878 1.00 0.00 C ATOM 1324 SD MET A 86 12.889 -4.359 1.929 1.00 0.00 S ATOM 1325 CE MET A 86 11.134 -4.223 2.342 1.00 0.00 C ATOM 0 H MET A 86 16.585 -1.889 -0.434 1.00 0.00 H new ATOM 0 HA MET A 86 14.187 -2.303 -1.875 1.00 0.00 H new ATOM 0 HB2 MET A 86 14.624 -3.870 -0.278 1.00 0.00 H new ATOM 0 HB3 MET A 86 15.245 -2.708 0.878 1.00 0.00 H new ATOM 0 HG2 MET A 86 13.027 -1.992 1.492 1.00 0.00 H new ATOM 0 HG3 MET A 86 12.302 -2.847 0.146 1.00 0.00 H new ATOM 0 HE1 MET A 86 10.854 -5.035 3.013 1.00 0.00 H new ATOM 0 HE2 MET A 86 10.949 -3.267 2.832 1.00 0.00 H new ATOM 0 HE3 MET A 86 10.540 -4.284 1.430 1.00 0.00 H new ATOM 1335 N ALA A 87 14.071 0.298 0.178 1.00 0.00 N ATOM 1336 CA ALA A 87 13.305 1.511 0.429 1.00 0.00 C ATOM 1337 C ALA A 87 13.356 2.525 -0.706 1.00 0.00 C ATOM 1338 O ALA A 87 12.368 3.219 -0.920 1.00 0.00 O ATOM 1339 CB ALA A 87 13.702 2.083 1.770 1.00 0.00 C ATOM 0 H ALA A 87 14.884 0.186 0.784 1.00 0.00 H new ATOM 0 HA ALA A 87 12.250 1.240 0.468 1.00 0.00 H new ATOM 0 HB1 ALA A 87 13.131 2.991 1.962 1.00 0.00 H new ATOM 0 HB2 ALA A 87 13.496 1.353 2.552 1.00 0.00 H new ATOM 0 HB3 ALA A 87 14.766 2.318 1.765 1.00 0.00 H new ATOM 1345 N GLN A 88 14.465 2.600 -1.440 1.00 0.00 N ATOM 1346 CA GLN A 88 14.548 3.416 -2.640 1.00 0.00 C ATOM 1347 C GLN A 88 13.486 2.902 -3.614 1.00 0.00 C ATOM 1348 O GLN A 88 12.594 3.654 -3.984 1.00 0.00 O ATOM 1349 CB GLN A 88 15.988 3.398 -3.198 1.00 0.00 C ATOM 1350 CG GLN A 88 16.264 4.492 -4.242 1.00 0.00 C ATOM 1351 CD GLN A 88 15.407 4.301 -5.482 1.00 0.00 C ATOM 1352 OE1 GLN A 88 15.396 3.221 -6.066 1.00 0.00 O ATOM 1353 NE2 GLN A 88 14.610 5.295 -5.821 1.00 0.00 N ATOM 0 H GLN A 88 15.325 2.098 -1.217 1.00 0.00 H new ATOM 0 HA GLN A 88 14.339 4.467 -2.441 1.00 0.00 H new ATOM 0 HB2 GLN A 88 16.689 3.513 -2.371 1.00 0.00 H new ATOM 0 HB3 GLN A 88 16.181 2.424 -3.647 1.00 0.00 H new ATOM 0 HG2 GLN A 88 16.065 5.471 -3.807 1.00 0.00 H new ATOM 0 HG3 GLN A 88 17.318 4.475 -4.520 1.00 0.00 H new ATOM 0 HE21 GLN A 88 14.650 6.177 -5.311 1.00 0.00 H new ATOM 0 HE22 GLN A 88 13.954 5.182 -6.594 1.00 0.00 H new ATOM 1362 N GLN A 89 13.540 1.618 -3.958 1.00 0.00 N ATOM 1363 CA GLN A 89 12.594 0.942 -4.834 1.00 0.00 C ATOM 1364 C GLN A 89 11.152 1.109 -4.349 1.00 0.00 C ATOM 1365 O GLN A 89 10.266 1.425 -5.135 1.00 0.00 O ATOM 1366 CB GLN A 89 13.017 -0.529 -4.897 1.00 0.00 C ATOM 1367 CG GLN A 89 14.027 -0.745 -6.030 1.00 0.00 C ATOM 1368 CD GLN A 89 14.497 -2.183 -6.103 1.00 0.00 C ATOM 1369 OE1 GLN A 89 14.485 -2.835 -7.139 1.00 0.00 O ATOM 1370 NE2 GLN A 89 14.949 -2.722 -4.989 1.00 0.00 N ATOM 0 H GLN A 89 14.275 0.997 -3.619 1.00 0.00 H new ATOM 0 HA GLN A 89 12.612 1.382 -5.831 1.00 0.00 H new ATOM 0 HB2 GLN A 89 13.458 -0.829 -3.946 1.00 0.00 H new ATOM 0 HB3 GLN A 89 12.142 -1.159 -5.056 1.00 0.00 H new ATOM 0 HG2 GLN A 89 13.572 -0.463 -6.980 1.00 0.00 H new ATOM 0 HG3 GLN A 89 14.885 -0.090 -5.881 1.00 0.00 H new ATOM 0 HE21 GLN A 89 14.959 -2.178 -4.126 1.00 0.00 H new ATOM 0 HE22 GLN A 89 15.289 -3.684 -4.989 1.00 0.00 H new ATOM 1379 N LEU A 90 10.901 0.939 -3.051 1.00 0.00 N ATOM 1380 CA LEU A 90 9.581 1.102 -2.450 1.00 0.00 C ATOM 1381 C LEU A 90 9.035 2.522 -2.606 1.00 0.00 C ATOM 1382 O LEU A 90 7.840 2.701 -2.374 1.00 0.00 O ATOM 1383 CB LEU A 90 9.607 0.722 -0.963 1.00 0.00 C ATOM 1384 CG LEU A 90 9.725 -0.776 -0.634 1.00 0.00 C ATOM 1385 CD1 LEU A 90 10.113 -0.950 0.839 1.00 0.00 C ATOM 1386 CD2 LEU A 90 8.428 -1.551 -0.878 1.00 0.00 C ATOM 0 H LEU A 90 11.622 0.680 -2.378 1.00 0.00 H new ATOM 0 HA LEU A 90 8.914 0.429 -2.988 1.00 0.00 H new ATOM 0 HB2 LEU A 90 10.444 1.240 -0.494 1.00 0.00 H new ATOM 0 HB3 LEU A 90 8.697 1.101 -0.499 1.00 0.00 H new ATOM 0 HG LEU A 90 10.487 -1.178 -1.301 1.00 0.00 H new ATOM 0 HD11 LEU A 90 10.196 -2.012 1.070 1.00 0.00 H new ATOM 0 HD12 LEU A 90 11.070 -0.462 1.023 1.00 0.00 H new ATOM 0 HD13 LEU A 90 9.349 -0.499 1.472 1.00 0.00 H new ATOM 0 HD21 LEU A 90 8.579 -2.601 -0.627 1.00 0.00 H new ATOM 0 HD22 LEU A 90 7.635 -1.139 -0.254 1.00 0.00 H new ATOM 0 HD23 LEU A 90 8.145 -1.466 -1.927 1.00 0.00 H new ATOM 1398 N ILE A 91 9.849 3.508 -2.989 1.00 0.00 N ATOM 1399 CA ILE A 91 9.396 4.804 -3.445 1.00 0.00 C ATOM 1400 C ILE A 91 9.466 4.912 -4.959 1.00 0.00 C ATOM 1401 O ILE A 91 8.509 5.436 -5.510 1.00 0.00 O ATOM 1402 CB ILE A 91 10.141 5.934 -2.699 1.00 0.00 C ATOM 1403 CG1 ILE A 91 9.455 6.096 -1.317 1.00 0.00 C ATOM 1404 CG2 ILE A 91 10.039 7.275 -3.457 1.00 0.00 C ATOM 1405 CD1 ILE A 91 10.001 5.209 -0.195 1.00 0.00 C ATOM 0 H ILE A 91 10.865 3.415 -2.987 1.00 0.00 H new ATOM 0 HA ILE A 91 8.341 4.921 -3.196 1.00 0.00 H new ATOM 0 HB ILE A 91 11.196 5.676 -2.611 1.00 0.00 H new ATOM 0 HG12 ILE A 91 9.545 7.137 -1.008 1.00 0.00 H new ATOM 0 HG13 ILE A 91 8.391 5.889 -1.434 1.00 0.00 H new ATOM 0 HG21 ILE A 91 10.574 8.047 -2.904 1.00 0.00 H new ATOM 0 HG22 ILE A 91 10.480 7.167 -4.448 1.00 0.00 H new ATOM 0 HG23 ILE A 91 8.991 7.559 -3.555 1.00 0.00 H new ATOM 0 HD11 ILE A 91 9.449 5.405 0.725 1.00 0.00 H new ATOM 0 HD12 ILE A 91 9.886 4.161 -0.471 1.00 0.00 H new ATOM 0 HD13 ILE A 91 11.057 5.429 -0.038 1.00 0.00 H new ATOM 1417 N ASP A 92 10.515 4.456 -5.646 1.00 0.00 N ATOM 1418 CA ASP A 92 10.601 4.602 -7.102 1.00 0.00 C ATOM 1419 C ASP A 92 9.356 4.038 -7.762 1.00 0.00 C ATOM 1420 O ASP A 92 8.729 4.718 -8.581 1.00 0.00 O ATOM 1421 CB ASP A 92 11.825 3.882 -7.690 1.00 0.00 C ATOM 1422 CG ASP A 92 11.825 3.949 -9.225 1.00 0.00 C ATOM 1423 OD1 ASP A 92 11.227 3.056 -9.858 1.00 0.00 O ATOM 1424 OD2 ASP A 92 12.399 4.911 -9.789 1.00 0.00 O ATOM 0 H ASP A 92 11.314 3.985 -5.221 1.00 0.00 H new ATOM 0 HA ASP A 92 10.695 5.669 -7.302 1.00 0.00 H new ATOM 0 HB2 ASP A 92 12.738 4.336 -7.304 1.00 0.00 H new ATOM 0 HB3 ASP A 92 11.826 2.840 -7.369 1.00 0.00 H new ATOM 1429 N ILE A 93 8.999 2.822 -7.346 1.00 0.00 N ATOM 1430 CA ILE A 93 7.934 2.049 -7.938 1.00 0.00 C ATOM 1431 C ILE A 93 6.604 2.755 -7.643 1.00 0.00 C ATOM 1432 O ILE A 93 5.781 2.915 -8.545 1.00 0.00 O ATOM 1433 CB ILE A 93 8.004 0.592 -7.413 1.00 0.00 C ATOM 1434 CG1 ILE A 93 9.370 -0.112 -7.659 1.00 0.00 C ATOM 1435 CG2 ILE A 93 6.911 -0.237 -8.096 1.00 0.00 C ATOM 1436 CD1 ILE A 93 9.608 -1.308 -6.715 1.00 0.00 C ATOM 0 H ILE A 93 9.460 2.347 -6.570 1.00 0.00 H new ATOM 0 HA ILE A 93 8.030 1.985 -9.022 1.00 0.00 H new ATOM 0 HB ILE A 93 7.867 0.653 -6.333 1.00 0.00 H new ATOM 0 HG12 ILE A 93 9.414 -0.457 -8.692 1.00 0.00 H new ATOM 0 HG13 ILE A 93 10.175 0.612 -7.530 1.00 0.00 H new ATOM 0 HG21 ILE A 93 6.953 -1.264 -7.733 1.00 0.00 H new ATOM 0 HG22 ILE A 93 5.934 0.190 -7.867 1.00 0.00 H new ATOM 0 HG23 ILE A 93 7.067 -0.227 -9.175 1.00 0.00 H new ATOM 0 HD11 ILE A 93 10.576 -1.758 -6.935 1.00 0.00 H new ATOM 0 HD12 ILE A 93 9.594 -0.964 -5.681 1.00 0.00 H new ATOM 0 HD13 ILE A 93 8.822 -2.049 -6.861 1.00 0.00 H new ATOM 1448 N VAL A 94 6.404 3.181 -6.394 1.00 0.00 N ATOM 1449 CA VAL A 94 5.185 3.808 -5.898 1.00 0.00 C ATOM 1450 C VAL A 94 5.000 5.182 -6.540 1.00 0.00 C ATOM 1451 O VAL A 94 3.987 5.430 -7.201 1.00 0.00 O ATOM 1452 CB VAL A 94 5.240 3.859 -4.354 1.00 0.00 C ATOM 1453 CG1 VAL A 94 4.063 4.622 -3.764 1.00 0.00 C ATOM 1454 CG2 VAL A 94 5.164 2.433 -3.816 1.00 0.00 C ATOM 0 H VAL A 94 7.120 3.093 -5.673 1.00 0.00 H new ATOM 0 HA VAL A 94 4.309 3.222 -6.176 1.00 0.00 H new ATOM 0 HB VAL A 94 6.166 4.362 -4.075 1.00 0.00 H new ATOM 0 HG11 VAL A 94 4.144 4.632 -2.677 1.00 0.00 H new ATOM 0 HG12 VAL A 94 4.069 5.646 -4.138 1.00 0.00 H new ATOM 0 HG13 VAL A 94 3.132 4.136 -4.054 1.00 0.00 H new ATOM 0 HG21 VAL A 94 5.202 2.453 -2.727 1.00 0.00 H new ATOM 0 HG22 VAL A 94 4.231 1.972 -4.139 1.00 0.00 H new ATOM 0 HG23 VAL A 94 6.005 1.855 -4.198 1.00 0.00 H new ATOM 1464 N HIS A 95 6.003 6.051 -6.412 1.00 0.00 N ATOM 1465 CA HIS A 95 6.021 7.382 -6.987 1.00 0.00 C ATOM 1466 C HIS A 95 5.780 7.271 -8.507 1.00 0.00 C ATOM 1467 O HIS A 95 5.046 8.055 -9.122 1.00 0.00 O ATOM 1468 CB HIS A 95 7.398 8.023 -6.771 1.00 0.00 C ATOM 1469 CG HIS A 95 7.501 9.406 -7.364 1.00 0.00 C ATOM 1470 ND1 HIS A 95 8.471 9.832 -8.239 1.00 0.00 N ATOM 1471 CD2 HIS A 95 6.615 10.435 -7.198 1.00 0.00 C ATOM 1472 CE1 HIS A 95 8.202 11.110 -8.552 1.00 0.00 C ATOM 1473 NE2 HIS A 95 7.062 11.516 -7.968 1.00 0.00 N ATOM 0 H HIS A 95 6.850 5.834 -5.887 1.00 0.00 H new ATOM 0 HA HIS A 95 5.249 7.988 -6.513 1.00 0.00 H new ATOM 0 HB2 HIS A 95 7.605 8.075 -5.702 1.00 0.00 H new ATOM 0 HB3 HIS A 95 8.163 7.385 -7.213 1.00 0.00 H new ATOM 0 HD1 HIS A 95 9.253 9.278 -8.588 1.00 0.00 H new ATOM 0 HD2 HIS A 95 5.728 10.417 -6.582 1.00 0.00 H new ATOM 0 HE1 HIS A 95 8.819 11.728 -9.187 1.00 0.00 H new ATOM 1481 N GLY A 96 6.417 6.266 -9.120 1.00 0.00 N ATOM 1482 CA GLY A 96 6.365 5.878 -10.521 1.00 0.00 C ATOM 1483 C GLY A 96 5.075 5.164 -10.918 1.00 0.00 C ATOM 1484 O GLY A 96 4.966 4.722 -12.059 1.00 0.00 O ATOM 0 H GLY A 96 7.037 5.652 -8.592 1.00 0.00 H new ATOM 0 HA2 GLY A 96 6.481 6.768 -11.139 1.00 0.00 H new ATOM 0 HA3 GLY A 96 7.211 5.226 -10.739 1.00 0.00 H new ATOM 1488 N CYS A 97 4.082 5.093 -10.031 1.00 0.00 N ATOM 1489 CA CYS A 97 2.706 4.726 -10.319 1.00 0.00 C ATOM 1490 C CYS A 97 1.754 5.856 -9.924 1.00 0.00 C ATOM 1491 O CYS A 97 0.768 6.020 -10.632 1.00 0.00 O ATOM 1492 CB CYS A 97 2.328 3.428 -9.590 1.00 0.00 C ATOM 1493 SG CYS A 97 2.857 1.846 -10.311 1.00 0.00 S ATOM 0 H CYS A 97 4.229 5.302 -9.043 1.00 0.00 H new ATOM 0 HA CYS A 97 2.616 4.557 -11.392 1.00 0.00 H new ATOM 0 HB2 CYS A 97 2.734 3.484 -8.580 1.00 0.00 H new ATOM 0 HB3 CYS A 97 1.242 3.404 -9.497 1.00 0.00 H new ATOM 1498 N GLU A 98 2.025 6.691 -8.909 1.00 0.00 N ATOM 1499 CA GLU A 98 1.109 7.742 -8.432 1.00 0.00 C ATOM 1500 C GLU A 98 0.557 8.639 -9.545 1.00 0.00 C ATOM 1501 O GLU A 98 -0.547 9.171 -9.435 1.00 0.00 O ATOM 1502 CB GLU A 98 1.805 8.649 -7.396 1.00 0.00 C ATOM 1503 CG GLU A 98 1.251 8.500 -5.976 1.00 0.00 C ATOM 1504 CD GLU A 98 2.203 7.750 -5.062 1.00 0.00 C ATOM 1505 OE1 GLU A 98 3.347 8.237 -4.916 1.00 0.00 O ATOM 1506 OE2 GLU A 98 1.748 6.753 -4.469 1.00 0.00 O ATOM 0 H GLU A 98 2.901 6.655 -8.387 1.00 0.00 H new ATOM 0 HA GLU A 98 0.273 7.202 -7.988 1.00 0.00 H new ATOM 0 HB2 GLU A 98 2.871 8.422 -7.386 1.00 0.00 H new ATOM 0 HB3 GLU A 98 1.703 9.688 -7.709 1.00 0.00 H new ATOM 0 HG2 GLU A 98 1.054 9.488 -5.560 1.00 0.00 H new ATOM 0 HG3 GLU A 98 0.297 7.974 -6.014 1.00 0.00 H new ATOM 1513 N LYS A 99 1.311 8.806 -10.626 1.00 0.00 N ATOM 1514 CA LYS A 99 0.926 9.625 -11.766 1.00 0.00 C ATOM 1515 C LYS A 99 0.810 8.723 -12.984 1.00 0.00 C ATOM 1516 O LYS A 99 -0.214 8.732 -13.655 1.00 0.00 O ATOM 1517 CB LYS A 99 1.912 10.788 -11.969 1.00 0.00 C ATOM 1518 CG LYS A 99 2.058 11.721 -10.750 1.00 0.00 C ATOM 1519 CD LYS A 99 3.127 11.344 -9.704 1.00 0.00 C ATOM 1520 CE LYS A 99 4.571 11.637 -10.139 1.00 0.00 C ATOM 1521 NZ LYS A 99 5.280 10.438 -10.634 1.00 0.00 N ATOM 0 H LYS A 99 2.225 8.366 -10.735 1.00 0.00 H new ATOM 0 HA LYS A 99 -0.043 10.092 -11.591 1.00 0.00 H new ATOM 0 HB2 LYS A 99 2.891 10.379 -12.217 1.00 0.00 H new ATOM 0 HB3 LYS A 99 1.587 11.378 -12.826 1.00 0.00 H new ATOM 0 HG2 LYS A 99 2.280 12.724 -11.115 1.00 0.00 H new ATOM 0 HG3 LYS A 99 1.093 11.772 -10.245 1.00 0.00 H new ATOM 0 HD2 LYS A 99 2.921 11.886 -8.781 1.00 0.00 H new ATOM 0 HD3 LYS A 99 3.037 10.282 -9.477 1.00 0.00 H new ATOM 0 HE2 LYS A 99 4.562 12.396 -10.921 1.00 0.00 H new ATOM 0 HE3 LYS A 99 5.121 12.055 -9.296 1.00 0.00 H new ATOM 0 HZ1 LYS A 99 6.303 10.624 -10.655 1.00 0.00 H new ATOM 0 HZ2 LYS A 99 5.087 9.635 -10.002 1.00 0.00 H new ATOM 0 HZ3 LYS A 99 4.949 10.211 -11.593 1.00 0.00 H new ATOM 1535 N SER A 100 1.826 7.885 -13.191 1.00 0.00 N ATOM 1536 CA SER A 100 1.983 6.934 -14.277 1.00 0.00 C ATOM 1537 C SER A 100 0.788 6.010 -14.479 1.00 0.00 C ATOM 1538 O SER A 100 0.470 5.655 -15.614 1.00 0.00 O ATOM 1539 CB SER A 100 3.176 6.093 -13.881 1.00 0.00 C ATOM 1540 OG SER A 100 4.393 6.797 -14.018 1.00 0.00 O ATOM 0 H SER A 100 2.619 7.856 -12.550 1.00 0.00 H new ATOM 0 HA SER A 100 2.094 7.477 -15.216 1.00 0.00 H new ATOM 0 HB2 SER A 100 3.061 5.766 -12.847 1.00 0.00 H new ATOM 0 HB3 SER A 100 3.206 5.195 -14.498 1.00 0.00 H new ATOM 0 HG SER A 100 5.069 6.400 -13.429 1.00 0.00 H new ATOM 1546 N THR A 101 0.175 5.557 -13.386 1.00 0.00 N ATOM 1547 CA THR A 101 -0.984 4.696 -13.444 1.00 0.00 C ATOM 1548 C THR A 101 -2.185 5.542 -13.861 1.00 0.00 C ATOM 1549 O THR A 101 -2.586 6.422 -13.100 1.00 0.00 O ATOM 1550 CB THR A 101 -1.149 4.019 -12.084 1.00 0.00 C ATOM 1551 OG1 THR A 101 -0.100 3.082 -11.950 1.00 0.00 O ATOM 1552 CG2 THR A 101 -2.477 3.276 -11.925 1.00 0.00 C ATOM 0 H THR A 101 0.476 5.783 -12.438 1.00 0.00 H new ATOM 0 HA THR A 101 -0.880 3.901 -14.183 1.00 0.00 H new ATOM 0 HB THR A 101 -1.130 4.798 -11.321 1.00 0.00 H new ATOM 0 HG1 THR A 101 -0.228 2.563 -11.129 1.00 0.00 H new ATOM 0 HG21 THR A 101 -2.523 2.821 -10.936 1.00 0.00 H new ATOM 0 HG22 THR A 101 -3.303 3.978 -12.040 1.00 0.00 H new ATOM 0 HG23 THR A 101 -2.552 2.499 -12.686 1.00 0.00 H new ATOM 1560 N PRO A 102 -2.775 5.290 -15.042 1.00 0.00 N ATOM 1561 CA PRO A 102 -3.984 5.968 -15.457 1.00 0.00 C ATOM 1562 C PRO A 102 -5.133 5.465 -14.587 1.00 0.00 C ATOM 1563 O PRO A 102 -5.315 4.251 -14.409 1.00 0.00 O ATOM 1564 CB PRO A 102 -4.161 5.609 -16.927 1.00 0.00 C ATOM 1565 CG PRO A 102 -3.456 4.265 -17.101 1.00 0.00 C ATOM 1566 CD PRO A 102 -2.442 4.214 -15.963 1.00 0.00 C ATOM 0 HA PRO A 102 -3.949 7.052 -15.344 1.00 0.00 H new ATOM 0 HB2 PRO A 102 -5.216 5.537 -17.190 1.00 0.00 H new ATOM 0 HB3 PRO A 102 -3.723 6.370 -17.573 1.00 0.00 H new ATOM 0 HG2 PRO A 102 -4.162 3.436 -17.041 1.00 0.00 H new ATOM 0 HG3 PRO A 102 -2.966 4.197 -18.072 1.00 0.00 H new ATOM 0 HD2 PRO A 102 -2.479 3.249 -15.457 1.00 0.00 H new ATOM 0 HD3 PRO A 102 -1.428 4.334 -16.345 1.00 0.00 H new ATOM 1574 N ALA A 103 -5.867 6.415 -14.019 1.00 0.00 N ATOM 1575 CA ALA A 103 -7.000 6.189 -13.151 1.00 0.00 C ATOM 1576 C ALA A 103 -7.903 7.425 -13.187 1.00 0.00 C ATOM 1577 O ALA A 103 -7.458 8.499 -13.597 1.00 0.00 O ATOM 1578 CB ALA A 103 -6.492 5.926 -11.734 1.00 0.00 C ATOM 0 H ALA A 103 -5.674 7.406 -14.162 1.00 0.00 H new ATOM 0 HA ALA A 103 -7.575 5.324 -13.482 1.00 0.00 H new ATOM 0 HB1 ALA A 103 -7.339 5.754 -11.070 1.00 0.00 H new ATOM 0 HB2 ALA A 103 -5.848 5.047 -11.736 1.00 0.00 H new ATOM 0 HB3 ALA A 103 -5.926 6.789 -11.384 1.00 0.00 H new ATOM 1584 N ASN A 104 -9.140 7.285 -12.708 1.00 0.00 N ATOM 1585 CA ASN A 104 -10.142 8.347 -12.604 1.00 0.00 C ATOM 1586 C ASN A 104 -9.741 9.469 -11.636 1.00 0.00 C ATOM 1587 O ASN A 104 -8.791 9.368 -10.859 1.00 0.00 O ATOM 1588 CB ASN A 104 -11.460 7.778 -12.052 1.00 0.00 C ATOM 1589 CG ASN A 104 -12.049 6.647 -12.844 1.00 0.00 C ATOM 1590 OD1 ASN A 104 -12.175 6.709 -14.064 1.00 0.00 O ATOM 1591 ND2 ASN A 104 -12.473 5.634 -12.132 1.00 0.00 N ATOM 0 H ASN A 104 -9.486 6.388 -12.367 1.00 0.00 H new ATOM 0 HA ASN A 104 -10.240 8.748 -13.613 1.00 0.00 H new ATOM 0 HB2 ASN A 104 -11.290 7.436 -11.031 1.00 0.00 H new ATOM 0 HB3 ASN A 104 -12.192 8.584 -12.000 1.00 0.00 H new ATOM 0 HD21 ASN A 104 -12.933 4.847 -12.589 1.00 0.00 H new ATOM 0 HD22 ASN A 104 -12.343 5.632 -11.120 1.00 0.00 H new ATOM 1598 N ASP A 105 -10.638 10.446 -11.530 1.00 0.00 N ATOM 1599 CA ASP A 105 -10.947 11.265 -10.359 1.00 0.00 C ATOM 1600 C ASP A 105 -11.019 10.446 -9.074 1.00 0.00 C ATOM 1601 O ASP A 105 -10.597 10.937 -8.029 1.00 0.00 O ATOM 1602 CB ASP A 105 -12.338 11.906 -10.584 1.00 0.00 C ATOM 1603 CG ASP A 105 -12.349 13.416 -10.768 1.00 0.00 C ATOM 1604 OD1 ASP A 105 -11.386 14.113 -10.386 1.00 0.00 O ATOM 1605 OD2 ASP A 105 -13.380 13.916 -11.269 1.00 0.00 O ATOM 0 H ASP A 105 -11.217 10.708 -12.328 1.00 0.00 H new ATOM 0 HA ASP A 105 -10.153 12.003 -10.247 1.00 0.00 H new ATOM 0 HB2 ASP A 105 -12.790 11.448 -11.464 1.00 0.00 H new ATOM 0 HB3 ASP A 105 -12.973 11.658 -9.734 1.00 0.00 H new ATOM 1610 N ASP A 106 -11.577 9.226 -9.138 1.00 0.00 N ATOM 1611 CA ASP A 106 -11.961 8.434 -7.976 1.00 0.00 C ATOM 1612 C ASP A 106 -10.712 8.012 -7.196 1.00 0.00 C ATOM 1613 O ASP A 106 -10.103 6.996 -7.524 1.00 0.00 O ATOM 1614 CB ASP A 106 -12.758 7.199 -8.447 1.00 0.00 C ATOM 1615 CG ASP A 106 -13.482 6.457 -7.326 1.00 0.00 C ATOM 1616 OD1 ASP A 106 -13.364 6.840 -6.143 1.00 0.00 O ATOM 1617 OD2 ASP A 106 -14.247 5.524 -7.655 1.00 0.00 O ATOM 0 H ASP A 106 -11.775 8.759 -10.023 1.00 0.00 H new ATOM 0 HA ASP A 106 -12.589 9.029 -7.313 1.00 0.00 H new ATOM 0 HB2 ASP A 106 -13.490 7.515 -9.190 1.00 0.00 H new ATOM 0 HB3 ASP A 106 -12.077 6.508 -8.944 1.00 0.00 H new ATOM 1622 N LYS A 107 -10.249 8.793 -6.224 1.00 0.00 N ATOM 1623 CA LYS A 107 -8.988 8.538 -5.515 1.00 0.00 C ATOM 1624 C LYS A 107 -8.942 7.151 -4.862 1.00 0.00 C ATOM 1625 O LYS A 107 -7.839 6.630 -4.671 1.00 0.00 O ATOM 1626 CB LYS A 107 -8.674 9.674 -4.522 1.00 0.00 C ATOM 1627 CG LYS A 107 -8.304 10.973 -5.259 1.00 0.00 C ATOM 1628 CD LYS A 107 -6.888 10.998 -5.838 1.00 0.00 C ATOM 1629 CE LYS A 107 -6.836 11.428 -7.308 1.00 0.00 C ATOM 1630 NZ LYS A 107 -7.096 12.871 -7.486 1.00 0.00 N ATOM 0 H LYS A 107 -10.738 9.628 -5.900 1.00 0.00 H new ATOM 0 HA LYS A 107 -8.194 8.530 -6.262 1.00 0.00 H new ATOM 0 HB2 LYS A 107 -9.539 9.850 -3.882 1.00 0.00 H new ATOM 0 HB3 LYS A 107 -7.852 9.375 -3.872 1.00 0.00 H new ATOM 0 HG2 LYS A 107 -9.016 11.131 -6.069 1.00 0.00 H new ATOM 0 HG3 LYS A 107 -8.415 11.810 -4.570 1.00 0.00 H new ATOM 0 HD2 LYS A 107 -6.274 11.678 -5.247 1.00 0.00 H new ATOM 0 HD3 LYS A 107 -6.447 10.006 -5.742 1.00 0.00 H new ATOM 0 HE2 LYS A 107 -5.856 11.185 -7.719 1.00 0.00 H new ATOM 0 HE3 LYS A 107 -7.571 10.857 -7.876 1.00 0.00 H new ATOM 0 HZ1 LYS A 107 -7.049 13.110 -8.497 1.00 0.00 H new ATOM 0 HZ2 LYS A 107 -8.041 13.101 -7.119 1.00 0.00 H new ATOM 0 HZ3 LYS A 107 -6.380 13.419 -6.967 1.00 0.00 H new ATOM 1644 N CYS A 108 -10.094 6.513 -4.617 1.00 0.00 N ATOM 1645 CA CYS A 108 -10.171 5.106 -4.244 1.00 0.00 C ATOM 1646 C CYS A 108 -9.598 4.225 -5.354 1.00 0.00 C ATOM 1647 O CYS A 108 -8.673 3.458 -5.108 1.00 0.00 O ATOM 1648 CB CYS A 108 -11.616 4.687 -3.935 1.00 0.00 C ATOM 1649 SG CYS A 108 -12.497 5.646 -2.686 1.00 0.00 S ATOM 0 H CYS A 108 -11.004 6.969 -4.674 1.00 0.00 H new ATOM 0 HA CYS A 108 -9.577 4.972 -3.340 1.00 0.00 H new ATOM 0 HB2 CYS A 108 -12.187 4.732 -4.862 1.00 0.00 H new ATOM 0 HB3 CYS A 108 -11.606 3.644 -3.617 1.00 0.00 H new ATOM 1654 N ILE A 109 -10.126 4.347 -6.576 1.00 0.00 N ATOM 1655 CA ILE A 109 -9.728 3.562 -7.752 1.00 0.00 C ATOM 1656 C ILE A 109 -8.227 3.738 -7.969 1.00 0.00 C ATOM 1657 O ILE A 109 -7.497 2.760 -8.082 1.00 0.00 O ATOM 1658 CB ILE A 109 -10.517 4.016 -8.987 1.00 0.00 C ATOM 1659 CG1 ILE A 109 -12.005 3.691 -8.818 1.00 0.00 C ATOM 1660 CG2 ILE A 109 -9.972 3.527 -10.339 1.00 0.00 C ATOM 1661 CD1 ILE A 109 -12.496 2.358 -9.346 1.00 0.00 C ATOM 0 H ILE A 109 -10.867 5.017 -6.782 1.00 0.00 H new ATOM 0 HA ILE A 109 -9.949 2.507 -7.589 1.00 0.00 H new ATOM 0 HB ILE A 109 -10.383 5.097 -9.034 1.00 0.00 H new ATOM 0 HG12 ILE A 109 -12.241 3.739 -7.755 1.00 0.00 H new ATOM 0 HG13 ILE A 109 -12.579 4.478 -9.307 1.00 0.00 H new ATOM 0 HG21 ILE A 109 -10.603 3.905 -11.144 1.00 0.00 H new ATOM 0 HG22 ILE A 109 -8.954 3.892 -10.474 1.00 0.00 H new ATOM 0 HG23 ILE A 109 -9.972 2.437 -10.359 1.00 0.00 H new ATOM 0 HD11 ILE A 109 -13.566 2.264 -9.158 1.00 0.00 H new ATOM 0 HD12 ILE A 109 -12.310 2.300 -10.418 1.00 0.00 H new ATOM 0 HD13 ILE A 109 -11.967 1.550 -8.842 1.00 0.00 H new ATOM 1673 N TRP A 110 -7.772 4.990 -8.010 1.00 0.00 N ATOM 1674 CA TRP A 110 -6.402 5.379 -8.184 1.00 0.00 C ATOM 1675 C TRP A 110 -5.491 4.684 -7.183 1.00 0.00 C ATOM 1676 O TRP A 110 -4.552 4.016 -7.601 1.00 0.00 O ATOM 1677 CB TRP A 110 -6.328 6.904 -8.088 1.00 0.00 C ATOM 1678 CG TRP A 110 -4.949 7.420 -8.045 1.00 0.00 C ATOM 1679 CD1 TRP A 110 -4.052 7.271 -9.033 1.00 0.00 C ATOM 1680 CD2 TRP A 110 -4.271 8.091 -6.955 1.00 0.00 C ATOM 1681 NE1 TRP A 110 -2.873 7.872 -8.655 1.00 0.00 N ATOM 1682 CE2 TRP A 110 -2.969 8.440 -7.399 1.00 0.00 C ATOM 1683 CE3 TRP A 110 -4.628 8.427 -5.635 1.00 0.00 C ATOM 1684 CZ2 TRP A 110 -2.097 9.184 -6.597 1.00 0.00 C ATOM 1685 CZ3 TRP A 110 -3.740 9.141 -4.807 1.00 0.00 C ATOM 1686 CH2 TRP A 110 -2.483 9.529 -5.295 1.00 0.00 C ATOM 0 H TRP A 110 -8.395 5.792 -7.916 1.00 0.00 H new ATOM 0 HA TRP A 110 -6.044 5.066 -9.165 1.00 0.00 H new ATOM 0 HB2 TRP A 110 -6.845 7.340 -8.943 1.00 0.00 H new ATOM 0 HB3 TRP A 110 -6.859 7.231 -7.194 1.00 0.00 H new ATOM 0 HD1 TRP A 110 -4.227 6.763 -9.970 1.00 0.00 H new ATOM 0 HE1 TRP A 110 -2.032 7.895 -9.231 1.00 0.00 H new ATOM 0 HE3 TRP A 110 -5.595 8.134 -5.253 1.00 0.00 H new ATOM 0 HZ2 TRP A 110 -1.134 9.490 -6.978 1.00 0.00 H new ATOM 0 HZ3 TRP A 110 -4.027 9.390 -3.796 1.00 0.00 H new ATOM 0 HH2 TRP A 110 -1.812 10.095 -4.666 1.00 0.00 H new ATOM 1697 N THR A 111 -5.747 4.816 -5.883 1.00 0.00 N ATOM 1698 CA THR A 111 -4.853 4.245 -4.890 1.00 0.00 C ATOM 1699 C THR A 111 -4.849 2.709 -4.949 1.00 0.00 C ATOM 1700 O THR A 111 -3.788 2.100 -4.812 1.00 0.00 O ATOM 1701 CB THR A 111 -5.177 4.810 -3.505 1.00 0.00 C ATOM 1702 OG1 THR A 111 -5.258 6.222 -3.531 1.00 0.00 O ATOM 1703 CG2 THR A 111 -4.098 4.393 -2.511 1.00 0.00 C ATOM 0 H THR A 111 -6.555 5.307 -5.501 1.00 0.00 H new ATOM 0 HA THR A 111 -3.829 4.540 -5.118 1.00 0.00 H new ATOM 0 HB THR A 111 -6.144 4.411 -3.200 1.00 0.00 H new ATOM 0 HG1 THR A 111 -6.119 6.493 -3.912 1.00 0.00 H new ATOM 0 HG21 THR A 111 -4.334 4.798 -1.527 1.00 0.00 H new ATOM 0 HG22 THR A 111 -4.056 3.305 -2.455 1.00 0.00 H new ATOM 0 HG23 THR A 111 -3.132 4.777 -2.840 1.00 0.00 H new ATOM 1711 N LEU A 112 -5.993 2.081 -5.254 1.00 0.00 N ATOM 1712 CA LEU A 112 -6.066 0.660 -5.597 1.00 0.00 C ATOM 1713 C LEU A 112 -5.054 0.395 -6.713 1.00 0.00 C ATOM 1714 O LEU A 112 -4.201 -0.481 -6.583 1.00 0.00 O ATOM 1715 CB LEU A 112 -7.534 0.278 -5.950 1.00 0.00 C ATOM 1716 CG LEU A 112 -7.715 -0.758 -7.063 1.00 0.00 C ATOM 1717 CD1 LEU A 112 -7.356 -2.161 -6.590 1.00 0.00 C ATOM 1718 CD2 LEU A 112 -9.143 -0.773 -7.614 1.00 0.00 C ATOM 0 H LEU A 112 -6.898 2.551 -5.269 1.00 0.00 H new ATOM 0 HA LEU A 112 -5.797 0.018 -4.758 1.00 0.00 H new ATOM 0 HB2 LEU A 112 -8.016 -0.100 -5.048 1.00 0.00 H new ATOM 0 HB3 LEU A 112 -8.064 1.186 -6.238 1.00 0.00 H new ATOM 0 HG LEU A 112 -7.034 -0.459 -7.860 1.00 0.00 H new ATOM 0 HD11 LEU A 112 -7.497 -2.868 -7.408 1.00 0.00 H new ATOM 0 HD12 LEU A 112 -6.315 -2.181 -6.269 1.00 0.00 H new ATOM 0 HD13 LEU A 112 -7.999 -2.439 -5.755 1.00 0.00 H new ATOM 0 HD21 LEU A 112 -9.222 -1.523 -8.401 1.00 0.00 H new ATOM 0 HD22 LEU A 112 -9.840 -1.014 -6.811 1.00 0.00 H new ATOM 0 HD23 LEU A 112 -9.386 0.208 -8.023 1.00 0.00 H new ATOM 1730 N GLY A 113 -5.133 1.173 -7.790 1.00 0.00 N ATOM 1731 CA GLY A 113 -4.377 0.944 -8.997 1.00 0.00 C ATOM 1732 C GLY A 113 -2.880 1.138 -8.813 1.00 0.00 C ATOM 1733 O GLY A 113 -2.115 0.369 -9.396 1.00 0.00 O ATOM 0 H GLY A 113 -5.738 1.993 -7.839 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -4.565 -0.071 -9.348 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -4.732 1.621 -9.774 1.00 0.00 H new ATOM 1737 N VAL A 114 -2.470 2.141 -8.034 1.00 0.00 N ATOM 1738 CA VAL A 114 -1.078 2.400 -7.680 1.00 0.00 C ATOM 1739 C VAL A 114 -0.537 1.199 -6.897 1.00 0.00 C ATOM 1740 O VAL A 114 0.559 0.728 -7.190 1.00 0.00 O ATOM 1741 CB VAL A 114 -0.978 3.733 -6.902 1.00 0.00 C ATOM 1742 CG1 VAL A 114 0.420 4.013 -6.335 1.00 0.00 C ATOM 1743 CG2 VAL A 114 -1.333 4.921 -7.818 1.00 0.00 C ATOM 0 H VAL A 114 -3.117 2.813 -7.622 1.00 0.00 H new ATOM 0 HA VAL A 114 -0.459 2.515 -8.570 1.00 0.00 H new ATOM 0 HB VAL A 114 -1.679 3.629 -6.074 1.00 0.00 H new ATOM 0 HG11 VAL A 114 0.413 4.964 -5.803 1.00 0.00 H new ATOM 0 HG12 VAL A 114 0.700 3.215 -5.648 1.00 0.00 H new ATOM 0 HG13 VAL A 114 1.141 4.059 -7.151 1.00 0.00 H new ATOM 0 HG21 VAL A 114 -1.257 5.851 -7.254 1.00 0.00 H new ATOM 0 HG22 VAL A 114 -0.642 4.950 -8.660 1.00 0.00 H new ATOM 0 HG23 VAL A 114 -2.351 4.803 -8.188 1.00 0.00 H new ATOM 1753 N ALA A 115 -1.308 0.644 -5.957 1.00 0.00 N ATOM 1754 CA ALA A 115 -0.881 -0.557 -5.261 1.00 0.00 C ATOM 1755 C ALA A 115 -0.821 -1.772 -6.198 1.00 0.00 C ATOM 1756 O ALA A 115 0.083 -2.582 -6.035 1.00 0.00 O ATOM 1757 CB ALA A 115 -1.776 -0.804 -4.051 1.00 0.00 C ATOM 0 H ALA A 115 -2.217 1.006 -5.669 1.00 0.00 H new ATOM 0 HA ALA A 115 0.137 -0.404 -4.903 1.00 0.00 H new ATOM 0 HB1 ALA A 115 -1.449 -1.707 -3.535 1.00 0.00 H new ATOM 0 HB2 ALA A 115 -1.712 0.046 -3.372 1.00 0.00 H new ATOM 0 HB3 ALA A 115 -2.807 -0.928 -4.381 1.00 0.00 H new ATOM 1763 N THR A 116 -1.705 -1.923 -7.193 1.00 0.00 N ATOM 1764 CA THR A 116 -1.720 -3.098 -8.061 1.00 0.00 C ATOM 1765 C THR A 116 -0.447 -3.221 -8.914 1.00 0.00 C ATOM 1766 O THR A 116 0.106 -4.325 -9.001 1.00 0.00 O ATOM 1767 CB THR A 116 -2.985 -3.084 -8.931 1.00 0.00 C ATOM 1768 OG1 THR A 116 -4.143 -2.998 -8.124 1.00 0.00 O ATOM 1769 CG2 THR A 116 -3.118 -4.358 -9.765 1.00 0.00 C ATOM 0 H THR A 116 -2.425 -1.235 -7.415 1.00 0.00 H new ATOM 0 HA THR A 116 -1.737 -3.983 -7.425 1.00 0.00 H new ATOM 0 HB THR A 116 -2.894 -2.218 -9.587 1.00 0.00 H new ATOM 0 HG1 THR A 116 -4.173 -2.122 -7.687 1.00 0.00 H new ATOM 0 HG21 THR A 116 -4.026 -4.307 -10.366 1.00 0.00 H new ATOM 0 HG22 THR A 116 -2.254 -4.455 -10.422 1.00 0.00 H new ATOM 0 HG23 THR A 116 -3.169 -5.222 -9.103 1.00 0.00 H new ATOM 1777 N CYS A 117 0.009 -2.132 -9.548 1.00 0.00 N ATOM 1778 CA CYS A 117 1.243 -2.150 -10.337 1.00 0.00 C ATOM 1779 C CYS A 117 2.428 -2.454 -9.426 1.00 0.00 C ATOM 1780 O CYS A 117 3.182 -3.393 -9.668 1.00 0.00 O ATOM 1781 CB CYS A 117 1.454 -0.827 -11.085 1.00 0.00 C ATOM 1782 SG CYS A 117 1.174 0.698 -10.148 1.00 0.00 S ATOM 0 H CYS A 117 -0.461 -1.227 -9.528 1.00 0.00 H new ATOM 0 HA CYS A 117 1.159 -2.934 -11.090 1.00 0.00 H new ATOM 0 HB2 CYS A 117 2.476 -0.810 -11.463 1.00 0.00 H new ATOM 0 HB3 CYS A 117 0.794 -0.818 -11.952 1.00 0.00 H new ATOM 1787 N PHE A 118 2.542 -1.686 -8.342 1.00 0.00 N ATOM 1788 CA PHE A 118 3.549 -1.852 -7.314 1.00 0.00 C ATOM 1789 C PHE A 118 3.603 -3.296 -6.831 1.00 0.00 C ATOM 1790 O PHE A 118 4.681 -3.876 -6.842 1.00 0.00 O ATOM 1791 CB PHE A 118 3.241 -0.832 -6.217 1.00 0.00 C ATOM 1792 CG PHE A 118 3.961 -0.971 -4.895 1.00 0.00 C ATOM 1793 CD1 PHE A 118 5.331 -0.671 -4.813 1.00 0.00 C ATOM 1794 CD2 PHE A 118 3.238 -1.259 -3.720 1.00 0.00 C ATOM 1795 CE1 PHE A 118 5.976 -0.604 -3.567 1.00 0.00 C ATOM 1796 CE2 PHE A 118 3.886 -1.190 -2.474 1.00 0.00 C ATOM 1797 CZ PHE A 118 5.246 -0.854 -2.392 1.00 0.00 C ATOM 0 H PHE A 118 1.910 -0.907 -8.157 1.00 0.00 H new ATOM 0 HA PHE A 118 4.553 -1.658 -7.692 1.00 0.00 H new ATOM 0 HB2 PHE A 118 3.459 0.160 -6.613 1.00 0.00 H new ATOM 0 HB3 PHE A 118 2.170 -0.868 -6.019 1.00 0.00 H new ATOM 0 HD1 PHE A 118 5.894 -0.490 -5.717 1.00 0.00 H new ATOM 0 HD2 PHE A 118 2.194 -1.531 -3.776 1.00 0.00 H new ATOM 0 HE1 PHE A 118 7.027 -0.362 -3.512 1.00 0.00 H new ATOM 0 HE2 PHE A 118 3.331 -1.398 -1.571 1.00 0.00 H new ATOM 0 HZ PHE A 118 5.730 -0.788 -1.429 1.00 0.00 H new ATOM 1807 N LYS A 119 2.465 -3.906 -6.487 1.00 0.00 N ATOM 1808 CA LYS A 119 2.382 -5.289 -6.034 1.00 0.00 C ATOM 1809 C LYS A 119 3.097 -6.221 -6.999 1.00 0.00 C ATOM 1810 O LYS A 119 3.945 -6.991 -6.563 1.00 0.00 O ATOM 1811 CB LYS A 119 0.923 -5.711 -5.808 1.00 0.00 C ATOM 1812 CG LYS A 119 0.897 -7.080 -5.120 1.00 0.00 C ATOM 1813 CD LYS A 119 -0.513 -7.647 -4.931 1.00 0.00 C ATOM 1814 CE LYS A 119 -0.735 -8.874 -5.819 1.00 0.00 C ATOM 1815 NZ LYS A 119 -1.518 -8.623 -7.045 1.00 0.00 N ATOM 0 H LYS A 119 1.559 -3.438 -6.518 1.00 0.00 H new ATOM 0 HA LYS A 119 2.891 -5.362 -5.073 1.00 0.00 H new ATOM 0 HB2 LYS A 119 0.409 -4.972 -5.194 1.00 0.00 H new ATOM 0 HB3 LYS A 119 0.394 -5.758 -6.760 1.00 0.00 H new ATOM 0 HG2 LYS A 119 1.486 -7.784 -5.708 1.00 0.00 H new ATOM 0 HG3 LYS A 119 1.379 -6.997 -4.146 1.00 0.00 H new ATOM 0 HD2 LYS A 119 -0.663 -7.918 -3.886 1.00 0.00 H new ATOM 0 HD3 LYS A 119 -1.252 -6.882 -5.171 1.00 0.00 H new ATOM 0 HE2 LYS A 119 0.236 -9.279 -6.103 1.00 0.00 H new ATOM 0 HE3 LYS A 119 -1.241 -9.641 -5.233 1.00 0.00 H new ATOM 0 HZ1 LYS A 119 -1.617 -9.509 -7.581 1.00 0.00 H new ATOM 0 HZ2 LYS A 119 -2.461 -8.267 -6.788 1.00 0.00 H new ATOM 0 HZ3 LYS A 119 -1.029 -7.916 -7.631 1.00 0.00 H new ATOM 1829 N ALA A 120 2.769 -6.163 -8.291 1.00 0.00 N ATOM 1830 CA ALA A 120 3.408 -7.005 -9.294 1.00 0.00 C ATOM 1831 C ALA A 120 4.935 -6.926 -9.193 1.00 0.00 C ATOM 1832 O ALA A 120 5.601 -7.952 -9.291 1.00 0.00 O ATOM 1833 CB ALA A 120 2.929 -6.617 -10.696 1.00 0.00 C ATOM 0 H ALA A 120 2.058 -5.535 -8.666 1.00 0.00 H new ATOM 0 HA ALA A 120 3.121 -8.039 -9.105 1.00 0.00 H new ATOM 0 HB1 ALA A 120 3.414 -7.254 -11.436 1.00 0.00 H new ATOM 0 HB2 ALA A 120 1.848 -6.745 -10.760 1.00 0.00 H new ATOM 0 HB3 ALA A 120 3.183 -5.575 -10.892 1.00 0.00 H new ATOM 1839 N GLU A 121 5.493 -5.737 -8.970 1.00 0.00 N ATOM 1840 CA GLU A 121 6.930 -5.547 -8.802 1.00 0.00 C ATOM 1841 C GLU A 121 7.430 -6.247 -7.537 1.00 0.00 C ATOM 1842 O GLU A 121 8.478 -6.875 -7.607 1.00 0.00 O ATOM 1843 CB GLU A 121 7.300 -4.058 -8.777 1.00 0.00 C ATOM 1844 CG GLU A 121 6.840 -3.295 -10.033 1.00 0.00 C ATOM 1845 CD GLU A 121 7.898 -3.188 -11.139 1.00 0.00 C ATOM 1846 OE1 GLU A 121 8.774 -4.078 -11.279 1.00 0.00 O ATOM 1847 OE2 GLU A 121 7.758 -2.295 -12.007 1.00 0.00 O ATOM 0 H GLU A 121 4.955 -4.873 -8.901 1.00 0.00 H new ATOM 0 HA GLU A 121 7.423 -5.999 -9.663 1.00 0.00 H new ATOM 0 HB2 GLU A 121 6.856 -3.595 -7.896 1.00 0.00 H new ATOM 0 HB3 GLU A 121 8.381 -3.961 -8.677 1.00 0.00 H new ATOM 0 HG2 GLU A 121 5.957 -3.789 -10.439 1.00 0.00 H new ATOM 0 HG3 GLU A 121 6.536 -2.290 -9.741 1.00 0.00 H new ATOM 1854 N ILE A 122 6.711 -6.197 -6.407 1.00 0.00 N ATOM 1855 CA ILE A 122 7.095 -6.877 -5.159 1.00 0.00 C ATOM 1856 C ILE A 122 7.212 -8.387 -5.411 1.00 0.00 C ATOM 1857 O ILE A 122 8.223 -8.999 -5.055 1.00 0.00 O ATOM 1858 CB ILE A 122 6.098 -6.542 -4.020 1.00 0.00 C ATOM 1859 CG1 ILE A 122 5.715 -5.055 -3.938 1.00 0.00 C ATOM 1860 CG2 ILE A 122 6.592 -6.942 -2.627 1.00 0.00 C ATOM 1861 CD1 ILE A 122 6.886 -4.065 -3.926 1.00 0.00 C ATOM 0 H ILE A 122 5.836 -5.678 -6.332 1.00 0.00 H new ATOM 0 HA ILE A 122 8.071 -6.517 -4.832 1.00 0.00 H new ATOM 0 HB ILE A 122 5.228 -7.137 -4.297 1.00 0.00 H new ATOM 0 HG12 ILE A 122 5.072 -4.818 -4.785 1.00 0.00 H new ATOM 0 HG13 ILE A 122 5.124 -4.901 -3.035 1.00 0.00 H new ATOM 0 HG21 ILE A 122 5.840 -6.676 -1.884 1.00 0.00 H new ATOM 0 HG22 ILE A 122 6.766 -8.018 -2.598 1.00 0.00 H new ATOM 0 HG23 ILE A 122 7.522 -6.418 -2.406 1.00 0.00 H new ATOM 0 HD11 ILE A 122 6.501 -3.047 -3.866 1.00 0.00 H new ATOM 0 HD12 ILE A 122 7.522 -4.264 -3.063 1.00 0.00 H new ATOM 0 HD13 ILE A 122 7.469 -4.180 -4.840 1.00 0.00 H new ATOM 1873 N HIS A 123 6.224 -8.963 -6.103 1.00 0.00 N ATOM 1874 CA HIS A 123 6.263 -10.366 -6.505 1.00 0.00 C ATOM 1875 C HIS A 123 7.486 -10.649 -7.392 1.00 0.00 C ATOM 1876 O HIS A 123 8.226 -11.592 -7.109 1.00 0.00 O ATOM 1877 CB HIS A 123 4.969 -10.779 -7.217 1.00 0.00 C ATOM 1878 CG HIS A 123 3.744 -10.933 -6.339 1.00 0.00 C ATOM 1879 ND1 HIS A 123 3.045 -12.102 -6.129 1.00 0.00 N ATOM 1880 CD2 HIS A 123 3.110 -9.957 -5.622 1.00 0.00 C ATOM 1881 CE1 HIS A 123 2.015 -11.832 -5.310 1.00 0.00 C ATOM 1882 NE2 HIS A 123 1.981 -10.524 -5.021 1.00 0.00 N ATOM 0 H HIS A 123 5.381 -8.470 -6.397 1.00 0.00 H new ATOM 0 HA HIS A 123 6.351 -10.966 -5.599 1.00 0.00 H new ATOM 0 HB2 HIS A 123 4.749 -10.038 -7.986 1.00 0.00 H new ATOM 0 HB3 HIS A 123 5.146 -11.725 -7.728 1.00 0.00 H new ATOM 0 HD1 HIS A 123 3.271 -13.014 -6.526 1.00 0.00 H new ATOM 0 HD2 HIS A 123 3.426 -8.928 -5.535 1.00 0.00 H new ATOM 0 HE1 HIS A 123 1.314 -12.565 -4.938 1.00 0.00 H new ATOM 1890 N LYS A 124 7.743 -9.849 -8.443 1.00 0.00 N ATOM 1891 CA LYS A 124 8.950 -9.981 -9.275 1.00 0.00 C ATOM 1892 C LYS A 124 10.220 -9.907 -8.413 1.00 0.00 C ATOM 1893 O LYS A 124 11.129 -10.723 -8.568 1.00 0.00 O ATOM 1894 CB LYS A 124 8.995 -8.881 -10.352 1.00 0.00 C ATOM 1895 CG LYS A 124 7.918 -8.956 -11.443 1.00 0.00 C ATOM 1896 CD LYS A 124 8.005 -7.709 -12.344 1.00 0.00 C ATOM 1897 CE LYS A 124 6.819 -7.642 -13.310 1.00 0.00 C ATOM 1898 NZ LYS A 124 6.868 -6.449 -14.187 1.00 0.00 N ATOM 0 H LYS A 124 7.121 -9.096 -8.737 1.00 0.00 H new ATOM 0 HA LYS A 124 8.909 -10.955 -9.763 1.00 0.00 H new ATOM 0 HB2 LYS A 124 8.914 -7.913 -9.857 1.00 0.00 H new ATOM 0 HB3 LYS A 124 9.973 -8.912 -10.833 1.00 0.00 H new ATOM 0 HG2 LYS A 124 8.053 -9.858 -12.040 1.00 0.00 H new ATOM 0 HG3 LYS A 124 6.929 -9.020 -10.988 1.00 0.00 H new ATOM 0 HD2 LYS A 124 8.026 -6.811 -11.726 1.00 0.00 H new ATOM 0 HD3 LYS A 124 8.937 -7.729 -12.909 1.00 0.00 H new ATOM 0 HE2 LYS A 124 6.805 -8.541 -13.926 1.00 0.00 H new ATOM 0 HE3 LYS A 124 5.890 -7.632 -12.740 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 6.044 -6.450 -14.821 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 6.854 -5.588 -13.603 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 7.740 -6.470 -14.753 1.00 0.00 H new ATOM 1912 N LEU A 125 10.275 -8.956 -7.477 1.00 0.00 N ATOM 1913 CA LEU A 125 11.350 -8.739 -6.506 1.00 0.00 C ATOM 1914 C LEU A 125 11.479 -9.906 -5.522 1.00 0.00 C ATOM 1915 O LEU A 125 12.450 -9.952 -4.767 1.00 0.00 O ATOM 1916 CB LEU A 125 11.122 -7.420 -5.731 1.00 0.00 C ATOM 1917 CG LEU A 125 11.370 -6.149 -6.564 1.00 0.00 C ATOM 1918 CD1 LEU A 125 10.659 -4.923 -5.991 1.00 0.00 C ATOM 1919 CD2 LEU A 125 12.867 -5.841 -6.633 1.00 0.00 C ATOM 0 H LEU A 125 9.523 -8.275 -7.371 1.00 0.00 H new ATOM 0 HA LEU A 125 12.282 -8.672 -7.068 1.00 0.00 H new ATOM 0 HB2 LEU A 125 10.098 -7.403 -5.358 1.00 0.00 H new ATOM 0 HB3 LEU A 125 11.778 -7.405 -4.861 1.00 0.00 H new ATOM 0 HG LEU A 125 10.968 -6.352 -7.557 1.00 0.00 H new ATOM 0 HD11 LEU A 125 10.868 -4.056 -6.617 1.00 0.00 H new ATOM 0 HD12 LEU A 125 9.584 -5.103 -5.968 1.00 0.00 H new ATOM 0 HD13 LEU A 125 11.017 -4.735 -4.979 1.00 0.00 H new ATOM 0 HD21 LEU A 125 13.026 -4.940 -7.225 1.00 0.00 H new ATOM 0 HD22 LEU A 125 13.253 -5.686 -5.626 1.00 0.00 H new ATOM 0 HD23 LEU A 125 13.389 -6.677 -7.097 1.00 0.00 H new ATOM 1931 N ASN A 126 10.550 -10.869 -5.543 1.00 0.00 N ATOM 1932 CA ASN A 126 10.483 -12.013 -4.642 1.00 0.00 C ATOM 1933 C ASN A 126 10.445 -11.559 -3.177 1.00 0.00 C ATOM 1934 O ASN A 126 11.053 -12.171 -2.291 1.00 0.00 O ATOM 1935 CB ASN A 126 11.612 -12.988 -4.985 1.00 0.00 C ATOM 1936 CG ASN A 126 11.465 -14.340 -4.315 1.00 0.00 C ATOM 1937 OD1 ASN A 126 10.379 -14.919 -4.272 1.00 0.00 O ATOM 1938 ND2 ASN A 126 12.555 -14.912 -3.842 1.00 0.00 N ATOM 0 H ASN A 126 9.790 -10.866 -6.224 1.00 0.00 H new ATOM 0 HA ASN A 126 9.550 -12.559 -4.781 1.00 0.00 H new ATOM 0 HB2 ASN A 126 11.645 -13.128 -6.065 1.00 0.00 H new ATOM 0 HB3 ASN A 126 12.565 -12.547 -4.691 1.00 0.00 H new ATOM 0 HD21 ASN A 126 12.505 -15.846 -3.434 1.00 0.00 H new ATOM 0 HD22 ASN A 126 13.448 -14.421 -3.884 1.00 0.00 H new ATOM 1945 N TRP A 127 9.730 -10.456 -2.942 1.00 0.00 N ATOM 1946 CA TRP A 127 9.491 -9.804 -1.660 1.00 0.00 C ATOM 1947 C TRP A 127 8.189 -10.290 -0.994 1.00 0.00 C ATOM 1948 O TRP A 127 7.814 -9.757 0.052 1.00 0.00 O ATOM 1949 CB TRP A 127 9.545 -8.289 -1.859 1.00 0.00 C ATOM 1950 CG TRP A 127 10.887 -7.639 -2.030 1.00 0.00 C ATOM 1951 CD1 TRP A 127 12.088 -8.248 -2.148 1.00 0.00 C ATOM 1952 CD2 TRP A 127 11.157 -6.218 -2.199 1.00 0.00 C ATOM 1953 NE1 TRP A 127 13.076 -7.307 -2.358 1.00 0.00 N ATOM 1954 CE2 TRP A 127 12.550 -6.036 -2.443 1.00 0.00 C ATOM 1955 CE3 TRP A 127 10.342 -5.070 -2.235 1.00 0.00 C ATOM 1956 CZ2 TRP A 127 13.097 -4.780 -2.743 1.00 0.00 C ATOM 1957 CZ3 TRP A 127 10.871 -3.808 -2.551 1.00 0.00 C ATOM 1958 CH2 TRP A 127 12.239 -3.668 -2.821 1.00 0.00 C ATOM 0 H TRP A 127 9.269 -9.960 -3.705 1.00 0.00 H new ATOM 0 HA TRP A 127 10.277 -10.082 -0.957 1.00 0.00 H new ATOM 0 HB2 TRP A 127 8.945 -8.048 -2.737 1.00 0.00 H new ATOM 0 HB3 TRP A 127 9.058 -7.824 -1.002 1.00 0.00 H new ATOM 0 HD1 TRP A 127 12.251 -9.314 -2.087 1.00 0.00 H new ATOM 0 HE1 TRP A 127 14.069 -7.525 -2.440 1.00 0.00 H new ATOM 0 HE3 TRP A 127 9.289 -5.162 -2.015 1.00 0.00 H new ATOM 0 HZ2 TRP A 127 14.158 -4.668 -2.911 1.00 0.00 H new ATOM 0 HZ3 TRP A 127 10.223 -2.945 -2.586 1.00 0.00 H new ATOM 0 HH2 TRP A 127 12.637 -2.701 -3.091 1.00 0.00 H new ATOM 1969 N ALA A 128 7.617 -11.395 -1.495 1.00 0.00 N ATOM 1970 CA ALA A 128 6.241 -11.896 -1.418 1.00 0.00 C ATOM 1971 C ALA A 128 5.516 -11.483 -2.697 1.00 0.00 C ATOM 1972 O ALA A 128 4.696 -12.309 -3.164 1.00 0.00 O ATOM 1973 CB ALA A 128 5.460 -11.416 -0.190 1.00 0.00 C ATOM 0 H ALA A 128 8.189 -12.043 -2.036 1.00 0.00 H new ATOM 0 HA ALA A 128 6.295 -12.980 -1.314 1.00 0.00 H new ATOM 0 HB1 ALA A 128 4.453 -11.834 -0.213 1.00 0.00 H new ATOM 0 HB2 ALA A 128 5.969 -11.745 0.716 1.00 0.00 H new ATOM 0 HB3 ALA A 128 5.402 -10.328 -0.199 1.00 0.00 H new TER 1979 ALA A 128