USER MOD reduce.3.24.130724 H: found=0, std=0, add=691, rem=0, adj=33 USER MOD reduce.3.24.130724 removed 686 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 9 GLN : amide:sc= 0.332 X(o=0.96,f=0.97) USER MOD Set 1.2: A 60 THR OG1 : rot 145:sc= 0.628 USER MOD Set 2.1: A 36 TYR OH : rot 180:sc= 0.037 USER MOD Set 2.2: A 41 GLN : amide:sc= 0.736 X(o=0.77,f=0.68) USER MOD Set 3.1: A 32 THR OG1 : rot -150:sc= -0.0333 USER MOD Set 3.2: A 61 TYR OH : rot 136:sc= 0.432 USER MOD Set 4.1: A 18 TYR OH : rot -93:sc= 1.3 USER MOD Set 4.2: A 43 TYR OH : rot 180:sc= 0 USER MOD Single : A 1 GLY N :NH3+ 141:sc= 0.0729 (180deg=0) USER MOD Single : A 2 HIS : no HD1:sc=-0.00192 X(o=-0.0019,f=0) USER MOD Single : A 3 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 4 GLN : amide:sc= -0.161 X(o=-0.16,f=0) USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 7 TYR OH : rot 180:sc= 0 USER MOD Single : A 8 SER OG : rot 180:sc= 0 USER MOD Single : A 10 TYR OH : rot 180:sc= 0 USER MOD Single : A 16 SER OG : rot 180:sc= 0 USER MOD Single : A 17 THR OG1 : rot -42:sc= 0.0469 USER MOD Single : A 19 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 20 TYR OH : rot 180:sc= 0 USER MOD Single : A 23 THR OG1 : rot 180:sc= 0 USER MOD Single : A 24 SER OG : rot 180:sc= 0 USER MOD Single : A 26 TYR OH : rot 180:sc= 0 USER MOD Single : A 27 TYR OH : rot 180:sc= 0 USER MOD Single : A 28 TYR OH : rot 180:sc= 0 USER MOD Single : A 31 GLN : amide:sc= 0 X(o=0,f=-0.031) USER MOD Single : A 35 TYR OH : rot 180:sc= 0 USER MOD Single : A 39 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 40 SER OG : rot 81:sc= 1.27 USER MOD Single : A 42 TYR OH : rot 180:sc= 0 USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 ASN : amide:sc= -0.0403 K(o=-0.04,f=-0.73) USER MOD Single : A 47 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 48 SER OG : rot 16:sc= 0.148 USER MOD Single : A 49 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 50 GLN : amide:sc= 0.529 K(o=0.53,f=-3.4!) USER MOD Single : A 51 TYR OH : rot 180:sc= 0 USER MOD Single : A 53 TYR OH : rot 180:sc=-0.00295 USER MOD Single : A 67 GLN : amide:sc=-0.00314 X(o=-0.0031,f=-0.0031) USER MOD Single : A 68 SER OG : rot 17:sc= 0.876 USER MOD Single : A 72 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 73 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 75 THR OG1 : rot 180:sc= -0.0129 USER MOD Single : A 79 SER OG : rot 180:sc= 0 USER MOD Single : A 80 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 83 LYS NZ :NH3+ -173:sc= 0 (180deg=-0.0253) USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 86 LYS NZ :NH3+ 179:sc= 0 (180deg=-0.00245) USER MOD Single : A 88 LYS NZ :NH3+ -166:sc= -0.135 (180deg=-0.465) USER MOD Single : A 89 HIS : no HD1:sc= -0.763 K(o=-0.76,f=-0.0038) USER MOD Single : A 90 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 THR OG1 : rot -30:sc= 1.09 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 7.470 21.023 -14.148 1.00 0.00 N ATOM 2 CA GLY A 1 7.933 21.644 -12.905 1.00 0.00 C ATOM 3 C GLY A 1 7.439 20.834 -11.721 1.00 0.00 C ATOM 4 O GLY A 1 6.337 20.285 -11.777 1.00 0.00 O ATOM 0 H1 GLY A 1 7.195 21.763 -14.825 1.00 0.00 H new ATOM 0 H2 GLY A 1 8.235 20.448 -14.555 1.00 0.00 H new ATOM 0 H3 GLY A 1 6.650 20.415 -13.948 1.00 0.00 H new ATOM 0 HA2 GLY A 1 9.022 21.696 -12.895 1.00 0.00 H new ATOM 0 HA3 GLY A 1 7.565 22.668 -12.838 1.00 0.00 H new ATOM 8 N HIS A 2 8.253 20.743 -10.670 1.00 0.00 N ATOM 9 CA HIS A 2 8.010 19.982 -9.451 1.00 0.00 C ATOM 10 C HIS A 2 8.100 20.925 -8.241 1.00 0.00 C ATOM 11 O HIS A 2 8.132 22.149 -8.419 1.00 0.00 O ATOM 12 CB HIS A 2 9.013 18.819 -9.404 1.00 0.00 C ATOM 13 CG HIS A 2 8.879 17.840 -10.547 1.00 0.00 C ATOM 14 ND1 HIS A 2 9.910 17.228 -11.226 1.00 0.00 N ATOM 15 CD2 HIS A 2 7.710 17.339 -11.044 1.00 0.00 C ATOM 16 CE1 HIS A 2 9.373 16.345 -12.086 1.00 0.00 C ATOM 17 NE2 HIS A 2 8.034 16.414 -12.042 1.00 0.00 N ATOM 0 H HIS A 2 9.150 21.227 -10.648 1.00 0.00 H new ATOM 0 HA HIS A 2 7.009 19.550 -9.430 1.00 0.00 H new ATOM 0 HB2 HIS A 2 10.024 19.226 -9.405 1.00 0.00 H new ATOM 0 HB3 HIS A 2 8.886 18.282 -8.464 1.00 0.00 H new ATOM 0 HD2 HIS A 2 6.714 17.608 -10.724 1.00 0.00 H new ATOM 0 HE1 HIS A 2 9.937 15.677 -12.720 1.00 0.00 H new ATOM 0 HE2 HIS A 2 7.379 15.892 -12.624 1.00 0.00 H new ATOM 25 N MET A 3 8.056 20.404 -7.012 1.00 0.00 N ATOM 26 CA MET A 3 8.163 21.211 -5.792 1.00 0.00 C ATOM 27 C MET A 3 9.208 20.580 -4.874 1.00 0.00 C ATOM 28 O MET A 3 9.549 19.403 -5.021 1.00 0.00 O ATOM 29 CB MET A 3 6.797 21.363 -5.094 1.00 0.00 C ATOM 30 CG MET A 3 5.710 21.890 -6.041 1.00 0.00 C ATOM 31 SD MET A 3 4.110 22.286 -5.283 1.00 0.00 S ATOM 32 CE MET A 3 3.148 22.537 -6.804 1.00 0.00 C ATOM 0 H MET A 3 7.945 19.406 -6.834 1.00 0.00 H new ATOM 0 HA MET A 3 8.484 22.220 -6.051 1.00 0.00 H new ATOM 0 HB2 MET A 3 6.488 20.398 -4.692 1.00 0.00 H new ATOM 0 HB3 MET A 3 6.898 22.043 -4.248 1.00 0.00 H new ATOM 0 HG2 MET A 3 6.088 22.787 -6.531 1.00 0.00 H new ATOM 0 HG3 MET A 3 5.545 21.146 -6.821 1.00 0.00 H new ATOM 0 HE1 MET A 3 2.120 22.793 -6.546 1.00 0.00 H new ATOM 0 HE2 MET A 3 3.589 23.348 -7.384 1.00 0.00 H new ATOM 0 HE3 MET A 3 3.157 21.621 -7.395 1.00 0.00 H new ATOM 42 N GLN A 4 9.718 21.344 -3.913 1.00 0.00 N ATOM 43 CA GLN A 4 10.879 21.009 -3.093 1.00 0.00 C ATOM 44 C GLN A 4 10.437 20.529 -1.698 1.00 0.00 C ATOM 45 O GLN A 4 11.158 20.716 -0.717 1.00 0.00 O ATOM 46 CB GLN A 4 11.798 22.252 -3.052 1.00 0.00 C ATOM 47 CG GLN A 4 13.278 21.966 -2.745 1.00 0.00 C ATOM 48 CD GLN A 4 14.018 21.359 -3.937 1.00 0.00 C ATOM 49 OE1 GLN A 4 14.677 22.052 -4.707 1.00 0.00 O ATOM 50 NE2 GLN A 4 13.973 20.055 -4.108 1.00 0.00 N ATOM 0 H GLN A 4 9.318 22.251 -3.674 1.00 0.00 H new ATOM 0 HA GLN A 4 11.441 20.178 -3.520 1.00 0.00 H new ATOM 0 HB2 GLN A 4 11.735 22.761 -4.014 1.00 0.00 H new ATOM 0 HB3 GLN A 4 11.415 22.942 -2.300 1.00 0.00 H new ATOM 0 HG2 GLN A 4 13.770 22.893 -2.450 1.00 0.00 H new ATOM 0 HG3 GLN A 4 13.344 21.286 -1.896 1.00 0.00 H new ATOM 0 HE21 GLN A 4 13.427 19.476 -3.471 1.00 0.00 H new ATOM 0 HE22 GLN A 4 14.484 19.624 -4.878 1.00 0.00 H new ATOM 59 N GLU A 5 9.233 19.958 -1.584 1.00 0.00 N ATOM 60 CA GLU A 5 8.587 19.649 -0.308 1.00 0.00 C ATOM 61 C GLU A 5 9.357 18.634 0.554 1.00 0.00 C ATOM 62 O GLU A 5 9.194 18.643 1.774 1.00 0.00 O ATOM 63 CB GLU A 5 7.108 19.298 -0.505 1.00 0.00 C ATOM 64 CG GLU A 5 6.942 17.958 -1.209 1.00 0.00 C ATOM 65 CD GLU A 5 5.482 17.600 -1.524 1.00 0.00 C ATOM 66 OE1 GLU A 5 4.541 18.209 -0.963 1.00 0.00 O ATOM 67 OE2 GLU A 5 5.248 16.689 -2.353 1.00 0.00 O ATOM 0 H GLU A 5 8.671 19.693 -2.393 1.00 0.00 H new ATOM 0 HA GLU A 5 8.618 20.563 0.286 1.00 0.00 H new ATOM 0 HB2 GLU A 5 6.608 19.266 0.463 1.00 0.00 H new ATOM 0 HB3 GLU A 5 6.622 20.080 -1.089 1.00 0.00 H new ATOM 0 HG2 GLU A 5 7.511 17.973 -2.138 1.00 0.00 H new ATOM 0 HG3 GLU A 5 7.372 17.175 -0.585 1.00 0.00 H new ATOM 74 N SER A 6 10.252 17.834 -0.045 1.00 0.00 N ATOM 75 CA SER A 6 11.110 16.875 0.648 1.00 0.00 C ATOM 76 C SER A 6 10.311 15.938 1.567 1.00 0.00 C ATOM 77 O SER A 6 10.608 15.814 2.760 1.00 0.00 O ATOM 78 CB SER A 6 12.243 17.632 1.367 1.00 0.00 C ATOM 79 OG SER A 6 13.324 17.842 0.477 1.00 0.00 O ATOM 0 H SER A 6 10.399 17.841 -1.054 1.00 0.00 H new ATOM 0 HA SER A 6 11.570 16.210 -0.083 1.00 0.00 H new ATOM 0 HB2 SER A 6 11.875 18.589 1.737 1.00 0.00 H new ATOM 0 HB3 SER A 6 12.580 17.063 2.234 1.00 0.00 H new ATOM 0 HG SER A 6 14.040 18.325 0.940 1.00 0.00 H new ATOM 85 N TYR A 7 9.333 15.230 1.004 1.00 0.00 N ATOM 86 CA TYR A 7 8.524 14.268 1.727 1.00 0.00 C ATOM 87 C TYR A 7 9.368 13.032 1.965 1.00 0.00 C ATOM 88 O TYR A 7 9.866 12.423 1.020 1.00 0.00 O ATOM 89 CB TYR A 7 7.253 13.909 0.955 1.00 0.00 C ATOM 90 CG TYR A 7 5.984 14.155 1.732 1.00 0.00 C ATOM 91 CD1 TYR A 7 5.730 13.422 2.906 1.00 0.00 C ATOM 92 CD2 TYR A 7 5.075 15.136 1.302 1.00 0.00 C ATOM 93 CE1 TYR A 7 4.567 13.673 3.652 1.00 0.00 C ATOM 94 CE2 TYR A 7 3.916 15.396 2.048 1.00 0.00 C ATOM 95 CZ TYR A 7 3.656 14.669 3.229 1.00 0.00 C ATOM 96 OH TYR A 7 2.553 14.966 3.964 1.00 0.00 O ATOM 0 H TYR A 7 9.082 15.315 0.019 1.00 0.00 H new ATOM 0 HA TYR A 7 8.206 14.701 2.675 1.00 0.00 H new ATOM 0 HB2 TYR A 7 7.222 14.489 0.033 1.00 0.00 H new ATOM 0 HB3 TYR A 7 7.296 12.858 0.669 1.00 0.00 H new ATOM 0 HD1 TYR A 7 6.429 12.667 3.233 1.00 0.00 H new ATOM 0 HD2 TYR A 7 5.269 15.691 0.396 1.00 0.00 H new ATOM 0 HE1 TYR A 7 4.368 13.105 4.549 1.00 0.00 H new ATOM 0 HE2 TYR A 7 3.221 16.154 1.718 1.00 0.00 H new ATOM 0 HH TYR A 7 2.045 15.676 3.519 1.00 0.00 H new ATOM 106 N SER A 8 9.535 12.667 3.228 1.00 0.00 N ATOM 107 CA SER A 8 10.258 11.451 3.574 1.00 0.00 C ATOM 108 C SER A 8 9.938 10.971 4.985 1.00 0.00 C ATOM 109 O SER A 8 9.695 11.819 5.846 1.00 0.00 O ATOM 110 CB SER A 8 11.748 11.707 3.362 1.00 0.00 C ATOM 111 OG SER A 8 12.302 12.676 4.237 1.00 0.00 O ATOM 0 H SER A 8 9.181 13.193 4.027 1.00 0.00 H new ATOM 0 HA SER A 8 9.939 10.637 2.924 1.00 0.00 H new ATOM 0 HB2 SER A 8 12.288 10.769 3.489 1.00 0.00 H new ATOM 0 HB3 SER A 8 11.907 12.030 2.333 1.00 0.00 H new ATOM 0 HG SER A 8 13.256 12.784 4.043 1.00 0.00 H new ATOM 117 N GLN A 9 9.965 9.656 5.256 1.00 0.00 N ATOM 118 CA GLN A 9 9.835 9.162 6.621 1.00 0.00 C ATOM 119 C GLN A 9 10.478 7.799 6.921 1.00 0.00 C ATOM 120 O GLN A 9 10.732 7.492 8.087 1.00 0.00 O ATOM 121 CB GLN A 9 8.356 9.179 7.026 1.00 0.00 C ATOM 122 CG GLN A 9 7.557 7.985 6.494 1.00 0.00 C ATOM 123 CD GLN A 9 6.093 8.045 6.893 1.00 0.00 C ATOM 124 OE1 GLN A 9 5.203 7.876 6.059 1.00 0.00 O ATOM 125 NE2 GLN A 9 5.838 8.273 8.167 1.00 0.00 N ATOM 0 H GLN A 9 10.075 8.928 4.550 1.00 0.00 H new ATOM 0 HA GLN A 9 10.420 9.850 7.232 1.00 0.00 H new ATOM 0 HB2 GLN A 9 8.287 9.195 8.114 1.00 0.00 H new ATOM 0 HB3 GLN A 9 7.900 10.100 6.664 1.00 0.00 H new ATOM 0 HG2 GLN A 9 7.634 7.955 5.407 1.00 0.00 H new ATOM 0 HG3 GLN A 9 7.996 7.061 6.870 1.00 0.00 H new ATOM 0 HE21 GLN A 9 6.606 8.407 8.825 1.00 0.00 H new ATOM 0 HE22 GLN A 9 4.873 8.315 8.494 1.00 0.00 H new ATOM 134 N TYR A 10 10.700 6.944 5.923 1.00 0.00 N ATOM 135 CA TYR A 10 11.451 5.697 6.077 1.00 0.00 C ATOM 136 C TYR A 10 12.915 5.938 5.686 1.00 0.00 C ATOM 137 O TYR A 10 13.228 6.983 5.095 1.00 0.00 O ATOM 138 CB TYR A 10 10.801 4.573 5.249 1.00 0.00 C ATOM 139 CG TYR A 10 9.605 3.966 5.959 1.00 0.00 C ATOM 140 CD1 TYR A 10 8.369 4.627 5.915 1.00 0.00 C ATOM 141 CD2 TYR A 10 9.737 2.794 6.730 1.00 0.00 C ATOM 142 CE1 TYR A 10 7.281 4.160 6.667 1.00 0.00 C ATOM 143 CE2 TYR A 10 8.650 2.312 7.486 1.00 0.00 C ATOM 144 CZ TYR A 10 7.422 3.017 7.482 1.00 0.00 C ATOM 145 OH TYR A 10 6.353 2.602 8.216 1.00 0.00 O ATOM 0 H TYR A 10 10.360 7.099 4.974 1.00 0.00 H new ATOM 0 HA TYR A 10 11.429 5.373 7.118 1.00 0.00 H new ATOM 0 HB2 TYR A 10 10.487 4.969 4.283 1.00 0.00 H new ATOM 0 HB3 TYR A 10 11.539 3.795 5.051 1.00 0.00 H new ATOM 0 HD1 TYR A 10 8.254 5.504 5.296 1.00 0.00 H new ATOM 0 HD2 TYR A 10 10.677 2.262 6.742 1.00 0.00 H new ATOM 0 HE1 TYR A 10 6.333 4.676 6.622 1.00 0.00 H new ATOM 0 HE2 TYR A 10 8.753 1.407 8.067 1.00 0.00 H new ATOM 0 HH TYR A 10 6.598 1.803 8.727 1.00 0.00 H new ATOM 155 N PRO A 11 13.815 5.007 6.047 1.00 0.00 N ATOM 156 CA PRO A 11 15.118 4.877 5.412 1.00 0.00 C ATOM 157 C PRO A 11 14.985 4.460 3.935 1.00 0.00 C ATOM 158 O PRO A 11 13.885 4.357 3.402 1.00 0.00 O ATOM 159 CB PRO A 11 15.892 3.867 6.265 1.00 0.00 C ATOM 160 CG PRO A 11 14.828 3.081 7.025 1.00 0.00 C ATOM 161 CD PRO A 11 13.611 3.987 7.069 1.00 0.00 C ATOM 0 HA PRO A 11 15.655 5.825 5.373 1.00 0.00 H new ATOM 0 HB2 PRO A 11 16.497 3.208 5.642 1.00 0.00 H new ATOM 0 HB3 PRO A 11 16.573 4.372 6.951 1.00 0.00 H new ATOM 0 HG2 PRO A 11 14.600 2.141 6.522 1.00 0.00 H new ATOM 0 HG3 PRO A 11 15.168 2.831 8.030 1.00 0.00 H new ATOM 0 HD2 PRO A 11 12.700 3.421 6.876 1.00 0.00 H new ATOM 0 HD3 PRO A 11 13.501 4.441 8.054 1.00 0.00 H new ATOM 169 N VAL A 12 16.117 4.275 3.260 1.00 0.00 N ATOM 170 CA VAL A 12 16.271 4.015 1.835 1.00 0.00 C ATOM 171 C VAL A 12 16.771 2.570 1.678 1.00 0.00 C ATOM 172 O VAL A 12 17.979 2.350 1.826 1.00 0.00 O ATOM 173 CB VAL A 12 17.165 5.081 1.166 1.00 0.00 C ATOM 174 CG1 VAL A 12 17.311 4.821 -0.341 1.00 0.00 C ATOM 175 CG2 VAL A 12 16.574 6.491 1.347 1.00 0.00 C ATOM 0 H VAL A 12 17.019 4.306 3.734 1.00 0.00 H new ATOM 0 HA VAL A 12 15.321 4.100 1.308 1.00 0.00 H new ATOM 0 HB VAL A 12 18.140 5.018 1.649 1.00 0.00 H new ATOM 0 HG11 VAL A 12 17.946 5.589 -0.783 1.00 0.00 H new ATOM 0 HG12 VAL A 12 17.762 3.841 -0.499 1.00 0.00 H new ATOM 0 HG13 VAL A 12 16.328 4.848 -0.812 1.00 0.00 H new ATOM 0 HG21 VAL A 12 17.224 7.222 0.866 1.00 0.00 H new ATOM 0 HG22 VAL A 12 15.584 6.531 0.893 1.00 0.00 H new ATOM 0 HG23 VAL A 12 16.495 6.719 2.410 1.00 0.00 H new ATOM 185 N PRO A 13 15.883 1.561 1.600 1.00 0.00 N ATOM 186 CA PRO A 13 16.268 0.156 1.469 1.00 0.00 C ATOM 187 C PRO A 13 16.898 -0.137 0.096 1.00 0.00 C ATOM 188 O PRO A 13 16.695 0.616 -0.864 1.00 0.00 O ATOM 189 CB PRO A 13 14.955 -0.617 1.639 1.00 0.00 C ATOM 190 CG PRO A 13 13.936 0.329 1.002 1.00 0.00 C ATOM 191 CD PRO A 13 14.438 1.695 1.458 1.00 0.00 C ATOM 0 HA PRO A 13 17.022 -0.126 2.204 1.00 0.00 H new ATOM 0 HB2 PRO A 13 14.984 -1.583 1.135 1.00 0.00 H new ATOM 0 HB3 PRO A 13 14.730 -0.811 2.688 1.00 0.00 H new ATOM 0 HG2 PRO A 13 13.923 0.242 -0.084 1.00 0.00 H new ATOM 0 HG3 PRO A 13 12.922 0.130 1.350 1.00 0.00 H new ATOM 0 HD2 PRO A 13 14.187 2.467 0.730 1.00 0.00 H new ATOM 0 HD3 PRO A 13 13.978 1.985 2.402 1.00 0.00 H new ATOM 199 N ASP A 14 17.566 -1.289 -0.035 1.00 0.00 N ATOM 200 CA ASP A 14 18.001 -1.848 -1.316 1.00 0.00 C ATOM 201 C ASP A 14 17.856 -3.366 -1.242 1.00 0.00 C ATOM 202 O ASP A 14 18.316 -3.996 -0.284 1.00 0.00 O ATOM 203 CB ASP A 14 19.459 -1.476 -1.625 1.00 0.00 C ATOM 204 CG ASP A 14 19.805 -1.659 -3.108 1.00 0.00 C ATOM 205 OD1 ASP A 14 19.581 -2.752 -3.680 1.00 0.00 O ATOM 206 OD2 ASP A 14 20.346 -0.695 -3.704 1.00 0.00 O ATOM 0 H ASP A 14 17.823 -1.869 0.764 1.00 0.00 H new ATOM 0 HA ASP A 14 17.384 -1.438 -2.116 1.00 0.00 H new ATOM 0 HB2 ASP A 14 19.636 -0.439 -1.338 1.00 0.00 H new ATOM 0 HB3 ASP A 14 20.125 -2.092 -1.020 1.00 0.00 H new ATOM 211 N VAL A 15 17.222 -3.965 -2.248 1.00 0.00 N ATOM 212 CA VAL A 15 17.061 -5.409 -2.373 1.00 0.00 C ATOM 213 C VAL A 15 18.420 -6.143 -2.410 1.00 0.00 C ATOM 214 O VAL A 15 18.484 -7.343 -2.137 1.00 0.00 O ATOM 215 CB VAL A 15 16.126 -5.691 -3.573 1.00 0.00 C ATOM 216 CG1 VAL A 15 16.722 -5.211 -4.901 1.00 0.00 C ATOM 217 CG2 VAL A 15 15.732 -7.166 -3.708 1.00 0.00 C ATOM 0 H VAL A 15 16.797 -3.446 -3.016 1.00 0.00 H new ATOM 0 HA VAL A 15 16.582 -5.823 -1.486 1.00 0.00 H new ATOM 0 HB VAL A 15 15.224 -5.119 -3.354 1.00 0.00 H new ATOM 0 HG11 VAL A 15 16.028 -5.432 -5.712 1.00 0.00 H new ATOM 0 HG12 VAL A 15 16.896 -4.136 -4.854 1.00 0.00 H new ATOM 0 HG13 VAL A 15 17.667 -5.724 -5.082 1.00 0.00 H new ATOM 0 HG21 VAL A 15 15.076 -7.290 -4.570 1.00 0.00 H new ATOM 0 HG22 VAL A 15 16.628 -7.771 -3.844 1.00 0.00 H new ATOM 0 HG23 VAL A 15 15.211 -7.487 -2.806 1.00 0.00 H new ATOM 227 N SER A 16 19.526 -5.440 -2.680 1.00 0.00 N ATOM 228 CA SER A 16 20.894 -5.948 -2.623 1.00 0.00 C ATOM 229 C SER A 16 21.238 -6.601 -1.275 1.00 0.00 C ATOM 230 O SER A 16 22.090 -7.487 -1.246 1.00 0.00 O ATOM 231 CB SER A 16 21.832 -4.773 -2.929 1.00 0.00 C ATOM 232 OG SER A 16 23.195 -5.141 -3.005 1.00 0.00 O ATOM 0 H SER A 16 19.486 -4.459 -2.956 1.00 0.00 H new ATOM 0 HA SER A 16 21.011 -6.743 -3.360 1.00 0.00 H new ATOM 0 HB2 SER A 16 21.534 -4.318 -3.874 1.00 0.00 H new ATOM 0 HB3 SER A 16 21.712 -4.013 -2.157 1.00 0.00 H new ATOM 0 HG SER A 16 23.737 -4.349 -3.203 1.00 0.00 H new ATOM 238 N THR A 17 20.580 -6.218 -0.174 1.00 0.00 N ATOM 239 CA THR A 17 20.902 -6.703 1.169 1.00 0.00 C ATOM 240 C THR A 17 19.705 -7.436 1.815 1.00 0.00 C ATOM 241 O THR A 17 19.648 -7.643 3.033 1.00 0.00 O ATOM 242 CB THR A 17 21.534 -5.532 1.950 1.00 0.00 C ATOM 243 OG1 THR A 17 22.201 -5.996 3.102 1.00 0.00 O ATOM 244 CG2 THR A 17 20.569 -4.398 2.316 1.00 0.00 C ATOM 0 H THR A 17 19.803 -5.557 -0.193 1.00 0.00 H new ATOM 0 HA THR A 17 21.653 -7.493 1.160 1.00 0.00 H new ATOM 0 HB THR A 17 22.249 -5.092 1.255 1.00 0.00 H new ATOM 0 HG1 THR A 17 21.656 -6.681 3.542 1.00 0.00 H new ATOM 0 HG21 THR A 17 21.108 -3.624 2.862 1.00 0.00 H new ATOM 0 HG22 THR A 17 20.146 -3.972 1.406 1.00 0.00 H new ATOM 0 HG23 THR A 17 19.766 -4.791 2.940 1.00 0.00 H new ATOM 252 N TYR A 18 18.730 -7.847 0.997 1.00 0.00 N ATOM 253 CA TYR A 18 17.606 -8.701 1.383 1.00 0.00 C ATOM 254 C TYR A 18 18.075 -10.145 1.583 1.00 0.00 C ATOM 255 O TYR A 18 19.276 -10.425 1.674 1.00 0.00 O ATOM 256 CB TYR A 18 16.491 -8.532 0.338 1.00 0.00 C ATOM 257 CG TYR A 18 15.689 -7.245 0.463 1.00 0.00 C ATOM 258 CD1 TYR A 18 16.085 -6.181 1.304 1.00 0.00 C ATOM 259 CD2 TYR A 18 14.524 -7.107 -0.310 1.00 0.00 C ATOM 260 CE1 TYR A 18 15.350 -4.990 1.344 1.00 0.00 C ATOM 261 CE2 TYR A 18 13.814 -5.894 -0.327 1.00 0.00 C ATOM 262 CZ TYR A 18 14.219 -4.837 0.519 1.00 0.00 C ATOM 263 OH TYR A 18 13.509 -3.683 0.583 1.00 0.00 O ATOM 0 H TYR A 18 18.703 -7.583 0.012 1.00 0.00 H new ATOM 0 HA TYR A 18 17.192 -8.405 2.347 1.00 0.00 H new ATOM 0 HB2 TYR A 18 16.935 -8.571 -0.656 1.00 0.00 H new ATOM 0 HB3 TYR A 18 15.808 -9.378 0.416 1.00 0.00 H new ATOM 0 HD1 TYR A 18 16.964 -6.287 1.923 1.00 0.00 H new ATOM 0 HD2 TYR A 18 14.170 -7.942 -0.897 1.00 0.00 H new ATOM 0 HE1 TYR A 18 15.650 -4.191 2.006 1.00 0.00 H new ATOM 0 HE2 TYR A 18 12.964 -5.771 -0.982 1.00 0.00 H new ATOM 0 HH TYR A 18 12.774 -3.786 1.223 1.00 0.00 H new ATOM 273 N GLN A 19 17.132 -11.071 1.714 1.00 0.00 N ATOM 274 CA GLN A 19 17.345 -12.495 1.578 1.00 0.00 C ATOM 275 C GLN A 19 16.415 -12.980 0.485 1.00 0.00 C ATOM 276 O GLN A 19 15.342 -12.408 0.315 1.00 0.00 O ATOM 277 CB GLN A 19 16.978 -13.179 2.890 1.00 0.00 C ATOM 278 CG GLN A 19 17.876 -12.736 4.045 1.00 0.00 C ATOM 279 CD GLN A 19 18.192 -13.860 5.018 1.00 0.00 C ATOM 280 OE1 GLN A 19 19.351 -14.191 5.251 1.00 0.00 O ATOM 281 NE2 GLN A 19 17.193 -14.465 5.629 1.00 0.00 N ATOM 0 H GLN A 19 16.163 -10.834 1.926 1.00 0.00 H new ATOM 0 HA GLN A 19 18.384 -12.719 1.336 1.00 0.00 H new ATOM 0 HB2 GLN A 19 15.939 -12.958 3.135 1.00 0.00 H new ATOM 0 HB3 GLN A 19 17.053 -14.259 2.768 1.00 0.00 H new ATOM 0 HG2 GLN A 19 18.808 -12.340 3.642 1.00 0.00 H new ATOM 0 HG3 GLN A 19 17.390 -11.922 4.584 1.00 0.00 H new ATOM 0 HE21 GLN A 19 16.232 -14.187 5.433 1.00 0.00 H new ATOM 0 HE22 GLN A 19 17.381 -15.211 6.298 1.00 0.00 H new ATOM 290 N TYR A 20 16.790 -14.033 -0.225 1.00 0.00 N ATOM 291 CA TYR A 20 15.890 -14.812 -1.058 1.00 0.00 C ATOM 292 C TYR A 20 15.379 -15.986 -0.234 1.00 0.00 C ATOM 293 O TYR A 20 16.081 -16.478 0.653 1.00 0.00 O ATOM 294 CB TYR A 20 16.678 -15.305 -2.266 1.00 0.00 C ATOM 295 CG TYR A 20 15.887 -16.083 -3.296 1.00 0.00 C ATOM 296 CD1 TYR A 20 14.951 -15.423 -4.117 1.00 0.00 C ATOM 297 CD2 TYR A 20 16.143 -17.452 -3.484 1.00 0.00 C ATOM 298 CE1 TYR A 20 14.327 -16.105 -5.179 1.00 0.00 C ATOM 299 CE2 TYR A 20 15.505 -18.141 -4.527 1.00 0.00 C ATOM 300 CZ TYR A 20 14.629 -17.467 -5.400 1.00 0.00 C ATOM 301 OH TYR A 20 14.163 -18.107 -6.505 1.00 0.00 O ATOM 0 H TYR A 20 17.750 -14.376 -0.238 1.00 0.00 H new ATOM 0 HA TYR A 20 15.041 -14.220 -1.399 1.00 0.00 H new ATOM 0 HB2 TYR A 20 17.130 -14.443 -2.758 1.00 0.00 H new ATOM 0 HB3 TYR A 20 17.494 -15.934 -1.911 1.00 0.00 H new ATOM 0 HD1 TYR A 20 14.711 -14.387 -3.930 1.00 0.00 H new ATOM 0 HD2 TYR A 20 16.827 -17.971 -2.829 1.00 0.00 H new ATOM 0 HE1 TYR A 20 13.624 -15.592 -5.818 1.00 0.00 H new ATOM 0 HE2 TYR A 20 15.687 -19.197 -4.661 1.00 0.00 H new ATOM 0 HH TYR A 20 14.468 -19.038 -6.497 1.00 0.00 H new ATOM 311 N ASP A 21 14.188 -16.481 -0.546 1.00 0.00 N ATOM 312 CA ASP A 21 13.629 -17.663 0.091 1.00 0.00 C ATOM 313 C ASP A 21 13.026 -18.522 -0.996 1.00 0.00 C ATOM 314 O ASP A 21 11.842 -18.407 -1.290 1.00 0.00 O ATOM 315 CB ASP A 21 12.621 -17.276 1.188 1.00 0.00 C ATOM 316 CG ASP A 21 13.062 -17.894 2.501 1.00 0.00 C ATOM 317 OD1 ASP A 21 12.875 -19.112 2.693 1.00 0.00 O ATOM 318 OD2 ASP A 21 13.640 -17.157 3.334 1.00 0.00 O ATOM 0 H ASP A 21 13.580 -16.069 -1.254 1.00 0.00 H new ATOM 0 HA ASP A 21 14.402 -18.235 0.604 1.00 0.00 H new ATOM 0 HB2 ASP A 21 12.564 -16.192 1.282 1.00 0.00 H new ATOM 0 HB3 ASP A 21 11.623 -17.626 0.923 1.00 0.00 H new ATOM 323 N GLU A 22 13.852 -19.375 -1.605 1.00 0.00 N ATOM 324 CA GLU A 22 13.509 -20.315 -2.683 1.00 0.00 C ATOM 325 C GLU A 22 12.228 -21.110 -2.393 1.00 0.00 C ATOM 326 O GLU A 22 11.500 -21.464 -3.319 1.00 0.00 O ATOM 327 CB GLU A 22 14.661 -21.306 -2.941 1.00 0.00 C ATOM 328 CG GLU A 22 15.428 -21.743 -1.689 1.00 0.00 C ATOM 329 CD GLU A 22 16.584 -22.691 -1.992 1.00 0.00 C ATOM 330 OE1 GLU A 22 16.787 -23.096 -3.157 1.00 0.00 O ATOM 331 OE2 GLU A 22 17.367 -22.967 -1.054 1.00 0.00 O ATOM 0 H GLU A 22 14.837 -19.434 -1.346 1.00 0.00 H new ATOM 0 HA GLU A 22 13.337 -19.703 -3.568 1.00 0.00 H new ATOM 0 HB2 GLU A 22 14.256 -22.192 -3.429 1.00 0.00 H new ATOM 0 HB3 GLU A 22 15.363 -20.851 -3.639 1.00 0.00 H new ATOM 0 HG2 GLU A 22 15.815 -20.860 -1.181 1.00 0.00 H new ATOM 0 HG3 GLU A 22 14.738 -22.230 -1.000 1.00 0.00 H new ATOM 338 N THR A 23 11.943 -21.379 -1.116 1.00 0.00 N ATOM 339 CA THR A 23 10.804 -22.178 -0.691 1.00 0.00 C ATOM 340 C THR A 23 9.478 -21.462 -1.031 1.00 0.00 C ATOM 341 O THR A 23 8.475 -22.124 -1.308 1.00 0.00 O ATOM 342 CB THR A 23 11.019 -22.523 0.797 1.00 0.00 C ATOM 343 OG1 THR A 23 10.356 -23.706 1.172 1.00 0.00 O ATOM 344 CG2 THR A 23 10.593 -21.415 1.753 1.00 0.00 C ATOM 0 H THR A 23 12.511 -21.039 -0.340 1.00 0.00 H new ATOM 0 HA THR A 23 10.728 -23.121 -1.232 1.00 0.00 H new ATOM 0 HB THR A 23 12.097 -22.656 0.883 1.00 0.00 H new ATOM 0 HG1 THR A 23 10.521 -23.887 2.121 1.00 0.00 H new ATOM 0 HG21 THR A 23 10.774 -21.731 2.780 1.00 0.00 H new ATOM 0 HG22 THR A 23 11.168 -20.513 1.544 1.00 0.00 H new ATOM 0 HG23 THR A 23 9.531 -21.207 1.619 1.00 0.00 H new ATOM 352 N SER A 24 9.473 -20.125 -1.115 1.00 0.00 N ATOM 353 CA SER A 24 8.380 -19.333 -1.674 1.00 0.00 C ATOM 354 C SER A 24 8.765 -18.709 -3.020 1.00 0.00 C ATOM 355 O SER A 24 7.884 -18.433 -3.829 1.00 0.00 O ATOM 356 CB SER A 24 7.958 -18.258 -0.668 1.00 0.00 C ATOM 357 OG SER A 24 7.241 -18.849 0.403 1.00 0.00 O ATOM 0 H SER A 24 10.251 -19.554 -0.786 1.00 0.00 H new ATOM 0 HA SER A 24 7.535 -19.995 -1.862 1.00 0.00 H new ATOM 0 HB2 SER A 24 8.838 -17.741 -0.285 1.00 0.00 H new ATOM 0 HB3 SER A 24 7.338 -17.510 -1.162 1.00 0.00 H new ATOM 0 HG SER A 24 6.977 -18.155 1.042 1.00 0.00 H new ATOM 363 N GLY A 25 10.052 -18.505 -3.301 1.00 0.00 N ATOM 364 CA GLY A 25 10.541 -17.893 -4.523 1.00 0.00 C ATOM 365 C GLY A 25 10.435 -16.371 -4.487 1.00 0.00 C ATOM 366 O GLY A 25 10.296 -15.746 -5.539 1.00 0.00 O ATOM 0 H GLY A 25 10.800 -18.771 -2.661 1.00 0.00 H new ATOM 0 HA2 GLY A 25 11.581 -18.180 -4.680 1.00 0.00 H new ATOM 0 HA3 GLY A 25 9.973 -18.275 -5.371 1.00 0.00 H new ATOM 370 N TYR A 26 10.484 -15.775 -3.296 1.00 0.00 N ATOM 371 CA TYR A 26 10.408 -14.333 -3.078 1.00 0.00 C ATOM 372 C TYR A 26 11.705 -13.876 -2.429 1.00 0.00 C ATOM 373 O TYR A 26 12.493 -14.702 -1.966 1.00 0.00 O ATOM 374 CB TYR A 26 9.194 -14.011 -2.192 1.00 0.00 C ATOM 375 CG TYR A 26 7.908 -13.983 -2.986 1.00 0.00 C ATOM 376 CD1 TYR A 26 7.306 -15.185 -3.395 1.00 0.00 C ATOM 377 CD2 TYR A 26 7.368 -12.756 -3.406 1.00 0.00 C ATOM 378 CE1 TYR A 26 6.180 -15.176 -4.235 1.00 0.00 C ATOM 379 CE2 TYR A 26 6.224 -12.738 -4.219 1.00 0.00 C ATOM 380 CZ TYR A 26 5.625 -13.941 -4.640 1.00 0.00 C ATOM 381 OH TYR A 26 4.513 -13.892 -5.421 1.00 0.00 O ATOM 0 H TYR A 26 10.581 -16.302 -2.428 1.00 0.00 H new ATOM 0 HA TYR A 26 10.281 -13.805 -4.023 1.00 0.00 H new ATOM 0 HB2 TYR A 26 9.115 -14.755 -1.400 1.00 0.00 H new ATOM 0 HB3 TYR A 26 9.343 -13.046 -1.709 1.00 0.00 H new ATOM 0 HD1 TYR A 26 7.714 -16.127 -3.060 1.00 0.00 H new ATOM 0 HD2 TYR A 26 7.832 -11.829 -3.104 1.00 0.00 H new ATOM 0 HE1 TYR A 26 5.742 -16.105 -4.569 1.00 0.00 H new ATOM 0 HE2 TYR A 26 5.799 -11.793 -4.524 1.00 0.00 H new ATOM 0 HH TYR A 26 4.277 -12.957 -5.597 1.00 0.00 H new ATOM 391 N TYR A 27 11.913 -12.566 -2.357 1.00 0.00 N ATOM 392 CA TYR A 27 12.847 -11.964 -1.427 1.00 0.00 C ATOM 393 C TYR A 27 12.080 -11.558 -0.177 1.00 0.00 C ATOM 394 O TYR A 27 10.888 -11.255 -0.240 1.00 0.00 O ATOM 395 CB TYR A 27 13.590 -10.770 -2.050 1.00 0.00 C ATOM 396 CG TYR A 27 14.588 -11.201 -3.106 1.00 0.00 C ATOM 397 CD1 TYR A 27 14.161 -11.478 -4.419 1.00 0.00 C ATOM 398 CD2 TYR A 27 15.934 -11.397 -2.753 1.00 0.00 C ATOM 399 CE1 TYR A 27 15.065 -11.994 -5.366 1.00 0.00 C ATOM 400 CE2 TYR A 27 16.838 -11.924 -3.686 1.00 0.00 C ATOM 401 CZ TYR A 27 16.404 -12.248 -4.988 1.00 0.00 C ATOM 402 OH TYR A 27 17.297 -12.757 -5.875 1.00 0.00 O ATOM 0 H TYR A 27 11.431 -11.890 -2.950 1.00 0.00 H new ATOM 0 HA TYR A 27 13.617 -12.690 -1.166 1.00 0.00 H new ATOM 0 HB2 TYR A 27 12.867 -10.087 -2.494 1.00 0.00 H new ATOM 0 HB3 TYR A 27 14.109 -10.219 -1.266 1.00 0.00 H new ATOM 0 HD1 TYR A 27 13.135 -11.294 -4.701 1.00 0.00 H new ATOM 0 HD2 TYR A 27 16.273 -11.141 -1.760 1.00 0.00 H new ATOM 0 HE1 TYR A 27 14.738 -12.195 -6.376 1.00 0.00 H new ATOM 0 HE2 TYR A 27 17.869 -12.082 -3.407 1.00 0.00 H new ATOM 0 HH TYR A 27 18.168 -12.864 -5.438 1.00 0.00 H new ATOM 412 N TYR A 28 12.790 -11.490 0.938 1.00 0.00 N ATOM 413 CA TYR A 28 12.356 -11.033 2.240 1.00 0.00 C ATOM 414 C TYR A 28 13.210 -9.818 2.578 1.00 0.00 C ATOM 415 O TYR A 28 14.417 -9.832 2.336 1.00 0.00 O ATOM 416 CB TYR A 28 12.561 -12.171 3.247 1.00 0.00 C ATOM 417 CG TYR A 28 12.419 -11.776 4.704 1.00 0.00 C ATOM 418 CD1 TYR A 28 11.243 -11.155 5.169 1.00 0.00 C ATOM 419 CD2 TYR A 28 13.474 -12.040 5.597 1.00 0.00 C ATOM 420 CE1 TYR A 28 11.120 -10.807 6.529 1.00 0.00 C ATOM 421 CE2 TYR A 28 13.363 -11.694 6.952 1.00 0.00 C ATOM 422 CZ TYR A 28 12.184 -11.076 7.423 1.00 0.00 C ATOM 423 OH TYR A 28 12.097 -10.772 8.749 1.00 0.00 O ATOM 0 H TYR A 28 13.768 -11.779 0.951 1.00 0.00 H new ATOM 0 HA TYR A 28 11.302 -10.757 2.263 1.00 0.00 H new ATOM 0 HB2 TYR A 28 11.842 -12.961 3.030 1.00 0.00 H new ATOM 0 HB3 TYR A 28 13.555 -12.593 3.097 1.00 0.00 H new ATOM 0 HD1 TYR A 28 10.436 -10.946 4.483 1.00 0.00 H new ATOM 0 HD2 TYR A 28 14.376 -12.512 5.237 1.00 0.00 H new ATOM 0 HE1 TYR A 28 10.217 -10.336 6.888 1.00 0.00 H new ATOM 0 HE2 TYR A 28 14.176 -11.900 7.632 1.00 0.00 H new ATOM 0 HH TYR A 28 12.927 -11.033 9.200 1.00 0.00 H new ATOM 433 N ASP A 29 12.582 -8.781 3.118 1.00 0.00 N ATOM 434 CA ASP A 29 13.147 -7.502 3.528 1.00 0.00 C ATOM 435 C ASP A 29 13.341 -7.525 5.049 1.00 0.00 C ATOM 436 O ASP A 29 12.418 -7.161 5.777 1.00 0.00 O ATOM 437 CB ASP A 29 12.238 -6.344 3.069 1.00 0.00 C ATOM 438 CG ASP A 29 12.746 -4.951 3.470 1.00 0.00 C ATOM 439 OD1 ASP A 29 13.590 -4.860 4.383 1.00 0.00 O ATOM 440 OD2 ASP A 29 12.279 -3.937 2.887 1.00 0.00 O ATOM 0 H ASP A 29 11.578 -8.817 3.295 1.00 0.00 H new ATOM 0 HA ASP A 29 14.117 -7.340 3.057 1.00 0.00 H new ATOM 0 HB2 ASP A 29 12.137 -6.384 1.984 1.00 0.00 H new ATOM 0 HB3 ASP A 29 11.242 -6.490 3.488 1.00 0.00 H new ATOM 445 N PRO A 30 14.469 -8.022 5.590 1.00 0.00 N ATOM 446 CA PRO A 30 14.709 -8.014 7.028 1.00 0.00 C ATOM 447 C PRO A 30 14.861 -6.616 7.632 1.00 0.00 C ATOM 448 O PRO A 30 14.857 -6.505 8.866 1.00 0.00 O ATOM 449 CB PRO A 30 15.989 -8.813 7.252 1.00 0.00 C ATOM 450 CG PRO A 30 16.696 -8.842 5.900 1.00 0.00 C ATOM 451 CD PRO A 30 15.578 -8.633 4.882 1.00 0.00 C ATOM 0 HA PRO A 30 13.841 -8.445 7.527 1.00 0.00 H new ATOM 0 HB2 PRO A 30 16.615 -8.345 8.012 1.00 0.00 H new ATOM 0 HB3 PRO A 30 15.766 -9.822 7.599 1.00 0.00 H new ATOM 0 HG2 PRO A 30 17.450 -8.058 5.829 1.00 0.00 H new ATOM 0 HG3 PRO A 30 17.207 -9.791 5.739 1.00 0.00 H new ATOM 0 HD2 PRO A 30 15.914 -7.993 4.066 1.00 0.00 H new ATOM 0 HD3 PRO A 30 15.277 -9.582 4.439 1.00 0.00 H new ATOM 459 N GLN A 31 15.008 -5.565 6.818 1.00 0.00 N ATOM 460 CA GLN A 31 15.012 -4.200 7.328 1.00 0.00 C ATOM 461 C GLN A 31 13.635 -3.942 7.936 1.00 0.00 C ATOM 462 O GLN A 31 13.551 -3.592 9.115 1.00 0.00 O ATOM 463 CB GLN A 31 15.322 -3.126 6.261 1.00 0.00 C ATOM 464 CG GLN A 31 16.653 -3.294 5.503 1.00 0.00 C ATOM 465 CD GLN A 31 17.842 -2.773 6.310 1.00 0.00 C ATOM 466 OE1 GLN A 31 17.895 -1.598 6.662 1.00 0.00 O ATOM 467 NE2 GLN A 31 18.833 -3.588 6.609 1.00 0.00 N ATOM 0 H GLN A 31 15.125 -5.638 5.807 1.00 0.00 H new ATOM 0 HA GLN A 31 15.815 -4.117 8.061 1.00 0.00 H new ATOM 0 HB2 GLN A 31 14.510 -3.120 5.533 1.00 0.00 H new ATOM 0 HB3 GLN A 31 15.323 -2.150 6.746 1.00 0.00 H new ATOM 0 HG2 GLN A 31 16.807 -4.348 5.270 1.00 0.00 H new ATOM 0 HG3 GLN A 31 16.599 -2.762 4.553 1.00 0.00 H new ATOM 0 HE21 GLN A 31 18.795 -4.565 6.319 1.00 0.00 H new ATOM 0 HE22 GLN A 31 19.639 -3.242 7.130 1.00 0.00 H new ATOM 476 N THR A 32 12.561 -4.184 7.177 1.00 0.00 N ATOM 477 CA THR A 32 11.213 -3.769 7.564 1.00 0.00 C ATOM 478 C THR A 32 10.283 -4.929 7.934 1.00 0.00 C ATOM 479 O THR A 32 9.445 -4.760 8.820 1.00 0.00 O ATOM 480 CB THR A 32 10.599 -2.922 6.446 1.00 0.00 C ATOM 481 OG1 THR A 32 10.629 -3.632 5.221 1.00 0.00 O ATOM 482 CG2 THR A 32 11.308 -1.570 6.335 1.00 0.00 C ATOM 0 H THR A 32 12.603 -4.671 6.282 1.00 0.00 H new ATOM 0 HA THR A 32 11.317 -3.179 8.475 1.00 0.00 H new ATOM 0 HB THR A 32 9.556 -2.720 6.690 1.00 0.00 H new ATOM 0 HG1 THR A 32 10.702 -2.998 4.477 1.00 0.00 H new ATOM 0 HG21 THR A 32 10.854 -0.986 5.534 1.00 0.00 H new ATOM 0 HG22 THR A 32 11.212 -1.030 7.277 1.00 0.00 H new ATOM 0 HG23 THR A 32 12.363 -1.730 6.115 1.00 0.00 H new ATOM 490 N GLY A 33 10.433 -6.098 7.313 1.00 0.00 N ATOM 491 CA GLY A 33 9.571 -7.259 7.497 1.00 0.00 C ATOM 492 C GLY A 33 8.644 -7.521 6.309 1.00 0.00 C ATOM 493 O GLY A 33 7.677 -8.277 6.437 1.00 0.00 O ATOM 0 H GLY A 33 11.185 -6.266 6.645 1.00 0.00 H new ATOM 0 HA2 GLY A 33 10.191 -8.140 7.666 1.00 0.00 H new ATOM 0 HA3 GLY A 33 8.969 -7.117 8.394 1.00 0.00 H new ATOM 497 N LEU A 34 8.867 -6.866 5.170 1.00 0.00 N ATOM 498 CA LEU A 34 8.068 -7.058 3.957 1.00 0.00 C ATOM 499 C LEU A 34 8.649 -8.212 3.133 1.00 0.00 C ATOM 500 O LEU A 34 9.768 -8.652 3.389 1.00 0.00 O ATOM 501 CB LEU A 34 8.089 -5.752 3.145 1.00 0.00 C ATOM 502 CG LEU A 34 7.458 -4.557 3.891 1.00 0.00 C ATOM 503 CD1 LEU A 34 7.854 -3.262 3.187 1.00 0.00 C ATOM 504 CD2 LEU A 34 5.930 -4.687 3.972 1.00 0.00 C ATOM 0 H LEU A 34 9.614 -6.180 5.061 1.00 0.00 H new ATOM 0 HA LEU A 34 7.039 -7.307 4.218 1.00 0.00 H new ATOM 0 HB2 LEU A 34 9.120 -5.508 2.890 1.00 0.00 H new ATOM 0 HB3 LEU A 34 7.556 -5.907 2.207 1.00 0.00 H new ATOM 0 HG LEU A 34 7.833 -4.545 4.914 1.00 0.00 H new ATOM 0 HD11 LEU A 34 7.411 -2.414 3.709 1.00 0.00 H new ATOM 0 HD12 LEU A 34 8.940 -3.164 3.190 1.00 0.00 H new ATOM 0 HD13 LEU A 34 7.494 -3.282 2.158 1.00 0.00 H new ATOM 0 HD21 LEU A 34 5.519 -3.829 4.504 1.00 0.00 H new ATOM 0 HD22 LEU A 34 5.514 -4.723 2.965 1.00 0.00 H new ATOM 0 HD23 LEU A 34 5.670 -5.602 4.505 1.00 0.00 H new ATOM 516 N TYR A 35 7.938 -8.675 2.105 1.00 0.00 N ATOM 517 CA TYR A 35 8.503 -9.499 1.043 1.00 0.00 C ATOM 518 C TYR A 35 8.505 -8.700 -0.262 1.00 0.00 C ATOM 519 O TYR A 35 7.754 -7.733 -0.419 1.00 0.00 O ATOM 520 CB TYR A 35 7.678 -10.778 0.910 1.00 0.00 C ATOM 521 CG TYR A 35 7.995 -11.794 1.986 1.00 0.00 C ATOM 522 CD1 TYR A 35 7.477 -11.650 3.290 1.00 0.00 C ATOM 523 CD2 TYR A 35 8.882 -12.846 1.696 1.00 0.00 C ATOM 524 CE1 TYR A 35 7.894 -12.515 4.319 1.00 0.00 C ATOM 525 CE2 TYR A 35 9.288 -13.717 2.711 1.00 0.00 C ATOM 526 CZ TYR A 35 8.824 -13.540 4.034 1.00 0.00 C ATOM 527 OH TYR A 35 9.274 -14.345 5.031 1.00 0.00 O ATOM 0 H TYR A 35 6.943 -8.485 1.987 1.00 0.00 H new ATOM 0 HA TYR A 35 9.531 -9.777 1.278 1.00 0.00 H new ATOM 0 HB2 TYR A 35 6.618 -10.528 0.954 1.00 0.00 H new ATOM 0 HB3 TYR A 35 7.860 -11.223 -0.068 1.00 0.00 H new ATOM 0 HD1 TYR A 35 6.757 -10.873 3.500 1.00 0.00 H new ATOM 0 HD2 TYR A 35 9.249 -12.981 0.689 1.00 0.00 H new ATOM 0 HE1 TYR A 35 7.506 -12.396 5.320 1.00 0.00 H new ATOM 0 HE2 TYR A 35 9.961 -14.531 2.483 1.00 0.00 H new ATOM 0 HH TYR A 35 9.907 -14.997 4.664 1.00 0.00 H new ATOM 537 N TYR A 36 9.304 -9.120 -1.236 1.00 0.00 N ATOM 538 CA TYR A 36 9.509 -8.464 -2.520 1.00 0.00 C ATOM 539 C TYR A 36 9.654 -9.536 -3.600 1.00 0.00 C ATOM 540 O TYR A 36 10.117 -10.636 -3.298 1.00 0.00 O ATOM 541 CB TYR A 36 10.765 -7.596 -2.410 1.00 0.00 C ATOM 542 CG TYR A 36 11.150 -6.902 -3.694 1.00 0.00 C ATOM 543 CD1 TYR A 36 10.449 -5.750 -4.094 1.00 0.00 C ATOM 544 CD2 TYR A 36 12.184 -7.418 -4.500 1.00 0.00 C ATOM 545 CE1 TYR A 36 10.802 -5.082 -5.276 1.00 0.00 C ATOM 546 CE2 TYR A 36 12.542 -6.755 -5.687 1.00 0.00 C ATOM 547 CZ TYR A 36 11.868 -5.571 -6.058 1.00 0.00 C ATOM 548 OH TYR A 36 12.221 -4.887 -7.175 1.00 0.00 O ATOM 0 H TYR A 36 9.855 -9.973 -1.145 1.00 0.00 H new ATOM 0 HA TYR A 36 8.666 -7.828 -2.789 1.00 0.00 H new ATOM 0 HB2 TYR A 36 10.607 -6.844 -1.637 1.00 0.00 H new ATOM 0 HB3 TYR A 36 11.597 -8.220 -2.083 1.00 0.00 H new ATOM 0 HD1 TYR A 36 9.636 -5.378 -3.489 1.00 0.00 H new ATOM 0 HD2 TYR A 36 12.700 -8.320 -4.207 1.00 0.00 H new ATOM 0 HE1 TYR A 36 10.261 -4.200 -5.585 1.00 0.00 H new ATOM 0 HE2 TYR A 36 13.329 -7.150 -6.312 1.00 0.00 H new ATOM 0 HH TYR A 36 12.971 -5.341 -7.613 1.00 0.00 H new ATOM 558 N ASP A 37 9.305 -9.237 -4.853 1.00 0.00 N ATOM 559 CA ASP A 37 9.464 -10.174 -5.970 1.00 0.00 C ATOM 560 C ASP A 37 10.305 -9.530 -7.074 1.00 0.00 C ATOM 561 O ASP A 37 10.172 -8.329 -7.321 1.00 0.00 O ATOM 562 CB ASP A 37 8.096 -10.557 -6.531 1.00 0.00 C ATOM 563 CG ASP A 37 8.204 -11.510 -7.719 1.00 0.00 C ATOM 564 OD1 ASP A 37 8.324 -12.732 -7.509 1.00 0.00 O ATOM 565 OD2 ASP A 37 8.211 -11.004 -8.864 1.00 0.00 O ATOM 0 H ASP A 37 8.904 -8.339 -5.123 1.00 0.00 H new ATOM 0 HA ASP A 37 9.967 -11.070 -5.607 1.00 0.00 H new ATOM 0 HB2 ASP A 37 7.502 -11.024 -5.746 1.00 0.00 H new ATOM 0 HB3 ASP A 37 7.566 -9.655 -6.838 1.00 0.00 H new ATOM 570 N PRO A 38 11.156 -10.293 -7.779 1.00 0.00 N ATOM 571 CA PRO A 38 12.028 -9.740 -8.805 1.00 0.00 C ATOM 572 C PRO A 38 11.306 -9.337 -10.095 1.00 0.00 C ATOM 573 O PRO A 38 11.722 -8.362 -10.728 1.00 0.00 O ATOM 574 CB PRO A 38 13.082 -10.825 -9.065 1.00 0.00 C ATOM 575 CG PRO A 38 12.341 -12.110 -8.696 1.00 0.00 C ATOM 576 CD PRO A 38 11.528 -11.670 -7.495 1.00 0.00 C ATOM 0 HA PRO A 38 12.464 -8.804 -8.457 1.00 0.00 H new ATOM 0 HB2 PRO A 38 13.409 -10.831 -10.105 1.00 0.00 H new ATOM 0 HB3 PRO A 38 13.972 -10.680 -8.452 1.00 0.00 H new ATOM 0 HG2 PRO A 38 11.708 -12.464 -9.510 1.00 0.00 H new ATOM 0 HG3 PRO A 38 13.027 -12.920 -8.450 1.00 0.00 H new ATOM 0 HD2 PRO A 38 10.647 -12.298 -7.363 1.00 0.00 H new ATOM 0 HD3 PRO A 38 12.110 -11.740 -6.576 1.00 0.00 H new ATOM 584 N ASN A 39 10.256 -10.043 -10.522 1.00 0.00 N ATOM 585 CA ASN A 39 9.433 -9.624 -11.654 1.00 0.00 C ATOM 586 C ASN A 39 8.462 -8.517 -11.291 1.00 0.00 C ATOM 587 O ASN A 39 8.038 -7.778 -12.179 1.00 0.00 O ATOM 588 CB ASN A 39 8.606 -10.802 -12.185 1.00 0.00 C ATOM 589 CG ASN A 39 9.186 -11.259 -13.495 1.00 0.00 C ATOM 590 OD1 ASN A 39 9.124 -10.552 -14.494 1.00 0.00 O ATOM 591 ND2 ASN A 39 9.889 -12.371 -13.498 1.00 0.00 N ATOM 0 H ASN A 39 9.955 -10.918 -10.093 1.00 0.00 H new ATOM 0 HA ASN A 39 10.129 -9.257 -12.409 1.00 0.00 H new ATOM 0 HB2 ASN A 39 8.612 -11.620 -11.465 1.00 0.00 H new ATOM 0 HB3 ASN A 39 7.567 -10.502 -12.318 1.00 0.00 H new ATOM 0 HD21 ASN A 39 10.391 -12.654 -14.339 1.00 0.00 H new ATOM 0 HD22 ASN A 39 9.932 -12.950 -12.659 1.00 0.00 H new ATOM 598 N SER A 40 8.061 -8.460 -10.027 1.00 0.00 N ATOM 599 CA SER A 40 6.786 -7.881 -9.644 1.00 0.00 C ATOM 600 C SER A 40 7.055 -6.971 -8.451 1.00 0.00 C ATOM 601 O SER A 40 6.923 -7.376 -7.297 1.00 0.00 O ATOM 602 CB SER A 40 5.741 -8.990 -9.383 1.00 0.00 C ATOM 603 OG SER A 40 6.052 -10.209 -10.044 1.00 0.00 O ATOM 0 H SER A 40 8.610 -8.813 -9.244 1.00 0.00 H new ATOM 0 HA SER A 40 6.347 -7.280 -10.440 1.00 0.00 H new ATOM 0 HB2 SER A 40 5.671 -9.172 -8.310 1.00 0.00 H new ATOM 0 HB3 SER A 40 4.761 -8.644 -9.712 1.00 0.00 H new ATOM 0 HG SER A 40 6.713 -10.707 -9.519 1.00 0.00 H new ATOM 609 N GLN A 41 7.479 -5.740 -8.737 1.00 0.00 N ATOM 610 CA GLN A 41 8.075 -4.793 -7.797 1.00 0.00 C ATOM 611 C GLN A 41 7.157 -4.410 -6.619 1.00 0.00 C ATOM 612 O GLN A 41 7.604 -3.714 -5.705 1.00 0.00 O ATOM 613 CB GLN A 41 8.532 -3.554 -8.576 1.00 0.00 C ATOM 614 CG GLN A 41 9.898 -3.699 -9.269 1.00 0.00 C ATOM 615 CD GLN A 41 10.170 -5.002 -10.035 1.00 0.00 C ATOM 616 OE1 GLN A 41 9.947 -5.107 -11.240 1.00 0.00 O ATOM 617 NE2 GLN A 41 10.660 -6.036 -9.374 1.00 0.00 N ATOM 0 H GLN A 41 7.412 -5.357 -9.680 1.00 0.00 H new ATOM 0 HA GLN A 41 8.927 -5.286 -7.329 1.00 0.00 H new ATOM 0 HB2 GLN A 41 7.781 -3.318 -9.329 1.00 0.00 H new ATOM 0 HB3 GLN A 41 8.575 -2.707 -7.892 1.00 0.00 H new ATOM 0 HG2 GLN A 41 10.011 -2.869 -9.966 1.00 0.00 H new ATOM 0 HG3 GLN A 41 10.673 -3.586 -8.511 1.00 0.00 H new ATOM 0 HE21 GLN A 41 10.849 -5.959 -8.375 1.00 0.00 H new ATOM 0 HE22 GLN A 41 10.850 -6.911 -9.863 1.00 0.00 H new ATOM 626 N TYR A 42 5.892 -4.838 -6.616 1.00 0.00 N ATOM 627 CA TYR A 42 4.987 -4.689 -5.488 1.00 0.00 C ATOM 628 C TYR A 42 5.489 -5.510 -4.302 1.00 0.00 C ATOM 629 O TYR A 42 5.697 -6.724 -4.401 1.00 0.00 O ATOM 630 CB TYR A 42 3.556 -5.079 -5.889 1.00 0.00 C ATOM 631 CG TYR A 42 3.041 -4.228 -7.031 1.00 0.00 C ATOM 632 CD1 TYR A 42 3.023 -2.830 -6.880 1.00 0.00 C ATOM 633 CD2 TYR A 42 2.692 -4.806 -8.267 1.00 0.00 C ATOM 634 CE1 TYR A 42 2.717 -2.002 -7.968 1.00 0.00 C ATOM 635 CE2 TYR A 42 2.361 -3.982 -9.358 1.00 0.00 C ATOM 636 CZ TYR A 42 2.406 -2.576 -9.218 1.00 0.00 C ATOM 637 OH TYR A 42 2.154 -1.763 -10.277 1.00 0.00 O ATOM 0 H TYR A 42 5.466 -5.306 -7.416 1.00 0.00 H new ATOM 0 HA TYR A 42 4.964 -3.643 -5.183 1.00 0.00 H new ATOM 0 HB2 TYR A 42 3.533 -6.129 -6.179 1.00 0.00 H new ATOM 0 HB3 TYR A 42 2.895 -4.972 -5.029 1.00 0.00 H new ATOM 0 HD1 TYR A 42 3.247 -2.392 -5.919 1.00 0.00 H new ATOM 0 HD2 TYR A 42 2.679 -5.880 -8.377 1.00 0.00 H new ATOM 0 HE1 TYR A 42 2.719 -0.928 -7.850 1.00 0.00 H new ATOM 0 HE2 TYR A 42 2.073 -4.423 -10.301 1.00 0.00 H new ATOM 0 HH TYR A 42 1.957 -2.307 -11.068 1.00 0.00 H new ATOM 647 N TYR A 43 5.692 -4.847 -3.170 1.00 0.00 N ATOM 648 CA TYR A 43 6.046 -5.487 -1.918 1.00 0.00 C ATOM 649 C TYR A 43 4.794 -6.159 -1.338 1.00 0.00 C ATOM 650 O TYR A 43 3.668 -5.709 -1.558 1.00 0.00 O ATOM 651 CB TYR A 43 6.618 -4.447 -0.945 1.00 0.00 C ATOM 652 CG TYR A 43 8.003 -3.942 -1.310 1.00 0.00 C ATOM 653 CD1 TYR A 43 8.183 -3.059 -2.394 1.00 0.00 C ATOM 654 CD2 TYR A 43 9.121 -4.361 -0.565 1.00 0.00 C ATOM 655 CE1 TYR A 43 9.464 -2.594 -2.733 1.00 0.00 C ATOM 656 CE2 TYR A 43 10.403 -3.890 -0.894 1.00 0.00 C ATOM 657 CZ TYR A 43 10.582 -3.002 -1.977 1.00 0.00 C ATOM 658 OH TYR A 43 11.825 -2.555 -2.296 1.00 0.00 O ATOM 0 H TYR A 43 5.613 -3.833 -3.100 1.00 0.00 H new ATOM 0 HA TYR A 43 6.811 -6.245 -2.083 1.00 0.00 H new ATOM 0 HB2 TYR A 43 5.936 -3.598 -0.897 1.00 0.00 H new ATOM 0 HB3 TYR A 43 6.655 -4.883 0.053 1.00 0.00 H new ATOM 0 HD1 TYR A 43 7.328 -2.737 -2.969 1.00 0.00 H new ATOM 0 HD2 TYR A 43 8.993 -5.045 0.261 1.00 0.00 H new ATOM 0 HE1 TYR A 43 9.593 -1.925 -3.571 1.00 0.00 H new ATOM 0 HE2 TYR A 43 11.257 -4.209 -0.315 1.00 0.00 H new ATOM 0 HH TYR A 43 12.479 -2.934 -1.672 1.00 0.00 H new ATOM 668 N TYR A 44 4.994 -7.211 -0.552 1.00 0.00 N ATOM 669 CA TYR A 44 3.963 -8.024 0.068 1.00 0.00 C ATOM 670 C TYR A 44 4.089 -7.817 1.568 1.00 0.00 C ATOM 671 O TYR A 44 5.066 -8.234 2.194 1.00 0.00 O ATOM 672 CB TYR A 44 4.115 -9.491 -0.354 1.00 0.00 C ATOM 673 CG TYR A 44 3.350 -10.518 0.466 1.00 0.00 C ATOM 674 CD1 TYR A 44 1.975 -10.354 0.722 1.00 0.00 C ATOM 675 CD2 TYR A 44 4.011 -11.669 0.938 1.00 0.00 C ATOM 676 CE1 TYR A 44 1.273 -11.346 1.429 1.00 0.00 C ATOM 677 CE2 TYR A 44 3.306 -12.671 1.626 1.00 0.00 C ATOM 678 CZ TYR A 44 1.925 -12.522 1.856 1.00 0.00 C ATOM 679 OH TYR A 44 1.247 -13.487 2.536 1.00 0.00 O ATOM 0 H TYR A 44 5.933 -7.534 -0.320 1.00 0.00 H new ATOM 0 HA TYR A 44 2.963 -7.732 -0.252 1.00 0.00 H new ATOM 0 HB2 TYR A 44 3.799 -9.581 -1.393 1.00 0.00 H new ATOM 0 HB3 TYR A 44 5.174 -9.748 -0.319 1.00 0.00 H new ATOM 0 HD1 TYR A 44 1.461 -9.469 0.376 1.00 0.00 H new ATOM 0 HD2 TYR A 44 5.072 -11.783 0.769 1.00 0.00 H new ATOM 0 HE1 TYR A 44 0.225 -11.206 1.647 1.00 0.00 H new ATOM 0 HE2 TYR A 44 3.822 -13.553 1.977 1.00 0.00 H new ATOM 0 HH TYR A 44 1.855 -14.226 2.749 1.00 0.00 H new ATOM 689 N ASN A 45 3.111 -7.114 2.125 1.00 0.00 N ATOM 690 CA ASN A 45 2.913 -6.940 3.546 1.00 0.00 C ATOM 691 C ASN A 45 2.151 -8.153 4.049 1.00 0.00 C ATOM 692 O ASN A 45 0.941 -8.073 4.272 1.00 0.00 O ATOM 693 CB ASN A 45 2.109 -5.661 3.784 1.00 0.00 C ATOM 694 CG ASN A 45 1.897 -5.412 5.266 1.00 0.00 C ATOM 695 OD1 ASN A 45 2.803 -5.562 6.071 1.00 0.00 O ATOM 696 ND2 ASN A 45 0.697 -5.022 5.654 1.00 0.00 N ATOM 0 H ASN A 45 2.406 -6.631 1.568 1.00 0.00 H new ATOM 0 HA ASN A 45 3.862 -6.852 4.075 1.00 0.00 H new ATOM 0 HB2 ASN A 45 2.631 -4.813 3.341 1.00 0.00 H new ATOM 0 HB3 ASN A 45 1.144 -5.737 3.284 1.00 0.00 H new ATOM 0 HD21 ASN A 45 0.514 -4.840 6.641 1.00 0.00 H new ATOM 0 HD22 ASN A 45 -0.047 -4.902 4.967 1.00 0.00 H new ATOM 703 N ALA A 46 2.837 -9.284 4.214 1.00 0.00 N ATOM 704 CA ALA A 46 2.234 -10.513 4.717 1.00 0.00 C ATOM 705 C ALA A 46 1.492 -10.243 6.029 1.00 0.00 C ATOM 706 O ALA A 46 0.436 -10.826 6.273 1.00 0.00 O ATOM 707 CB ALA A 46 3.325 -11.558 4.954 1.00 0.00 C ATOM 0 H ALA A 46 3.831 -9.371 4.001 1.00 0.00 H new ATOM 0 HA ALA A 46 1.523 -10.884 3.979 1.00 0.00 H new ATOM 0 HB1 ALA A 46 2.874 -12.476 5.330 1.00 0.00 H new ATOM 0 HB2 ALA A 46 3.841 -11.765 4.016 1.00 0.00 H new ATOM 0 HB3 ALA A 46 4.039 -11.179 5.685 1.00 0.00 H new ATOM 713 N GLN A 47 2.011 -9.304 6.823 1.00 0.00 N ATOM 714 CA GLN A 47 1.492 -8.830 8.089 1.00 0.00 C ATOM 715 C GLN A 47 0.003 -8.496 8.084 1.00 0.00 C ATOM 716 O GLN A 47 -0.648 -8.645 9.113 1.00 0.00 O ATOM 717 CB GLN A 47 2.261 -7.563 8.467 1.00 0.00 C ATOM 718 CG GLN A 47 2.561 -7.572 9.958 1.00 0.00 C ATOM 719 CD GLN A 47 2.824 -6.155 10.455 1.00 0.00 C ATOM 720 OE1 GLN A 47 2.009 -5.579 11.175 1.00 0.00 O ATOM 721 NE2 GLN A 47 3.895 -5.524 10.027 1.00 0.00 N ATOM 0 H GLN A 47 2.874 -8.823 6.569 1.00 0.00 H new ATOM 0 HA GLN A 47 1.622 -9.644 8.802 1.00 0.00 H new ATOM 0 HB2 GLN A 47 3.190 -7.507 7.900 1.00 0.00 H new ATOM 0 HB3 GLN A 47 1.676 -6.680 8.209 1.00 0.00 H new ATOM 0 HG2 GLN A 47 1.722 -8.005 10.502 1.00 0.00 H new ATOM 0 HG3 GLN A 47 3.429 -8.201 10.157 1.00 0.00 H new ATOM 0 HE21 GLN A 47 4.567 -6.007 9.430 1.00 0.00 H new ATOM 0 HE22 GLN A 47 4.054 -4.552 10.292 1.00 0.00 H new ATOM 730 N SER A 48 -0.542 -8.030 6.961 1.00 0.00 N ATOM 731 CA SER A 48 -1.979 -7.870 6.760 1.00 0.00 C ATOM 732 C SER A 48 -2.367 -8.330 5.348 1.00 0.00 C ATOM 733 O SER A 48 -3.326 -7.833 4.769 1.00 0.00 O ATOM 734 CB SER A 48 -2.405 -6.428 7.054 1.00 0.00 C ATOM 735 OG SER A 48 -2.438 -6.184 8.453 1.00 0.00 O ATOM 0 H SER A 48 0.013 -7.749 6.153 1.00 0.00 H new ATOM 0 HA SER A 48 -2.519 -8.504 7.463 1.00 0.00 H new ATOM 0 HB2 SER A 48 -1.712 -5.735 6.576 1.00 0.00 H new ATOM 0 HB3 SER A 48 -3.389 -6.241 6.625 1.00 0.00 H new ATOM 0 HG SER A 48 -1.940 -6.888 8.920 1.00 0.00 H new ATOM 741 N GLN A 49 -1.584 -9.236 4.757 1.00 0.00 N ATOM 742 CA GLN A 49 -1.711 -9.775 3.404 1.00 0.00 C ATOM 743 C GLN A 49 -1.807 -8.715 2.290 1.00 0.00 C ATOM 744 O GLN A 49 -2.276 -9.010 1.185 1.00 0.00 O ATOM 745 CB GLN A 49 -2.897 -10.756 3.334 1.00 0.00 C ATOM 746 CG GLN A 49 -3.013 -11.784 4.472 1.00 0.00 C ATOM 747 CD GLN A 49 -4.334 -12.535 4.336 1.00 0.00 C ATOM 748 OE1 GLN A 49 -4.370 -13.694 3.927 1.00 0.00 O ATOM 749 NE2 GLN A 49 -5.441 -11.889 4.656 1.00 0.00 N ATOM 0 H GLN A 49 -0.787 -9.640 5.249 1.00 0.00 H new ATOM 0 HA GLN A 49 -0.777 -10.301 3.207 1.00 0.00 H new ATOM 0 HB2 GLN A 49 -3.818 -10.174 3.306 1.00 0.00 H new ATOM 0 HB3 GLN A 49 -2.834 -11.299 2.391 1.00 0.00 H new ATOM 0 HG2 GLN A 49 -2.178 -12.483 4.433 1.00 0.00 H new ATOM 0 HG3 GLN A 49 -2.964 -11.282 5.438 1.00 0.00 H new ATOM 0 HE21 GLN A 49 -5.391 -10.928 4.994 1.00 0.00 H new ATOM 0 HE22 GLN A 49 -6.346 -12.351 4.566 1.00 0.00 H new ATOM 758 N GLN A 50 -1.402 -7.478 2.565 1.00 0.00 N ATOM 759 CA GLN A 50 -1.684 -6.333 1.719 1.00 0.00 C ATOM 760 C GLN A 50 -0.516 -6.064 0.776 1.00 0.00 C ATOM 761 O GLN A 50 0.604 -6.516 1.010 1.00 0.00 O ATOM 762 CB GLN A 50 -2.137 -5.146 2.596 1.00 0.00 C ATOM 763 CG GLN A 50 -3.564 -4.633 2.300 1.00 0.00 C ATOM 764 CD GLN A 50 -4.603 -5.689 1.899 1.00 0.00 C ATOM 765 OE1 GLN A 50 -5.282 -5.542 0.890 1.00 0.00 O ATOM 766 NE2 GLN A 50 -4.730 -6.782 2.627 1.00 0.00 N ATOM 0 H GLN A 50 -0.860 -7.244 3.397 1.00 0.00 H new ATOM 0 HA GLN A 50 -2.522 -6.529 1.050 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -2.082 -5.444 3.643 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -1.435 -4.323 2.461 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -3.930 -4.114 3.186 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -3.502 -3.895 1.500 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -4.164 -6.904 3.467 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -5.394 -7.505 2.350 1.00 0.00 H new ATOM 775 N TYR A 51 -0.784 -5.345 -0.309 1.00 0.00 N ATOM 776 CA TYR A 51 0.160 -5.180 -1.408 1.00 0.00 C ATOM 777 C TYR A 51 0.585 -3.727 -1.482 1.00 0.00 C ATOM 778 O TYR A 51 -0.250 -2.825 -1.502 1.00 0.00 O ATOM 779 CB TYR A 51 -0.418 -5.692 -2.728 1.00 0.00 C ATOM 780 CG TYR A 51 -0.174 -7.179 -2.896 1.00 0.00 C ATOM 781 CD1 TYR A 51 -0.760 -8.086 -1.996 1.00 0.00 C ATOM 782 CD2 TYR A 51 0.715 -7.653 -3.879 1.00 0.00 C ATOM 783 CE1 TYR A 51 -0.477 -9.457 -2.075 1.00 0.00 C ATOM 784 CE2 TYR A 51 0.999 -9.028 -3.974 1.00 0.00 C ATOM 785 CZ TYR A 51 0.403 -9.932 -3.065 1.00 0.00 C ATOM 786 OH TYR A 51 0.595 -11.271 -3.178 1.00 0.00 O ATOM 0 H TYR A 51 -1.668 -4.857 -0.451 1.00 0.00 H new ATOM 0 HA TYR A 51 1.046 -5.787 -1.220 1.00 0.00 H new ATOM 0 HB2 TYR A 51 -1.489 -5.491 -2.761 1.00 0.00 H new ATOM 0 HB3 TYR A 51 0.034 -5.151 -3.559 1.00 0.00 H new ATOM 0 HD1 TYR A 51 -1.435 -7.723 -1.236 1.00 0.00 H new ATOM 0 HD2 TYR A 51 1.181 -6.959 -4.563 1.00 0.00 H new ATOM 0 HE1 TYR A 51 -0.933 -10.146 -1.379 1.00 0.00 H new ATOM 0 HE2 TYR A 51 1.670 -9.391 -4.738 1.00 0.00 H new ATOM 0 HH TYR A 51 1.227 -11.451 -3.905 1.00 0.00 H new ATOM 796 N LEU A 52 1.887 -3.489 -1.481 1.00 0.00 N ATOM 797 CA LEU A 52 2.480 -2.172 -1.339 1.00 0.00 C ATOM 798 C LEU A 52 3.439 -1.941 -2.499 1.00 0.00 C ATOM 799 O LEU A 52 3.728 -2.847 -3.278 1.00 0.00 O ATOM 800 CB LEU A 52 3.226 -2.061 0.004 1.00 0.00 C ATOM 801 CG LEU A 52 2.442 -2.453 1.269 1.00 0.00 C ATOM 802 CD1 LEU A 52 3.382 -2.290 2.462 1.00 0.00 C ATOM 803 CD2 LEU A 52 1.183 -1.617 1.512 1.00 0.00 C ATOM 0 H LEU A 52 2.580 -4.231 -1.582 1.00 0.00 H new ATOM 0 HA LEU A 52 1.697 -1.414 -1.353 1.00 0.00 H new ATOM 0 HB2 LEU A 52 4.117 -2.686 -0.050 1.00 0.00 H new ATOM 0 HB3 LEU A 52 3.565 -1.032 0.120 1.00 0.00 H new ATOM 0 HG LEU A 52 2.100 -3.479 1.136 1.00 0.00 H new ATOM 0 HD11 LEU A 52 2.857 -2.560 3.378 1.00 0.00 H new ATOM 0 HD12 LEU A 52 4.248 -2.940 2.335 1.00 0.00 H new ATOM 0 HD13 LEU A 52 3.713 -1.253 2.526 1.00 0.00 H new ATOM 0 HD21 LEU A 52 0.690 -1.958 2.422 1.00 0.00 H new ATOM 0 HD22 LEU A 52 1.458 -0.568 1.619 1.00 0.00 H new ATOM 0 HD23 LEU A 52 0.503 -1.729 0.667 1.00 0.00 H new ATOM 815 N TYR A 53 3.988 -0.741 -2.587 1.00 0.00 N ATOM 816 CA TYR A 53 5.170 -0.422 -3.358 1.00 0.00 C ATOM 817 C TYR A 53 6.058 0.440 -2.470 1.00 0.00 C ATOM 818 O TYR A 53 5.565 1.109 -1.557 1.00 0.00 O ATOM 819 CB TYR A 53 4.799 0.259 -4.682 1.00 0.00 C ATOM 820 CG TYR A 53 4.155 1.633 -4.607 1.00 0.00 C ATOM 821 CD1 TYR A 53 2.835 1.788 -4.145 1.00 0.00 C ATOM 822 CD2 TYR A 53 4.854 2.757 -5.086 1.00 0.00 C ATOM 823 CE1 TYR A 53 2.211 3.045 -4.171 1.00 0.00 C ATOM 824 CE2 TYR A 53 4.234 4.016 -5.130 1.00 0.00 C ATOM 825 CZ TYR A 53 2.912 4.170 -4.666 1.00 0.00 C ATOM 826 OH TYR A 53 2.325 5.395 -4.670 1.00 0.00 O ATOM 0 H TYR A 53 3.603 0.069 -2.101 1.00 0.00 H new ATOM 0 HA TYR A 53 5.713 -1.322 -3.647 1.00 0.00 H new ATOM 0 HB2 TYR A 53 5.705 0.344 -5.282 1.00 0.00 H new ATOM 0 HB3 TYR A 53 4.120 -0.402 -5.222 1.00 0.00 H new ATOM 0 HD1 TYR A 53 2.297 0.931 -3.767 1.00 0.00 H new ATOM 0 HD2 TYR A 53 5.875 2.650 -5.422 1.00 0.00 H new ATOM 0 HE1 TYR A 53 1.198 3.153 -3.814 1.00 0.00 H new ATOM 0 HE2 TYR A 53 4.771 4.868 -5.520 1.00 0.00 H new ATOM 0 HH TYR A 53 2.947 6.054 -5.043 1.00 0.00 H new ATOM 836 N TRP A 54 7.363 0.409 -2.711 1.00 0.00 N ATOM 837 CA TRP A 54 8.273 1.403 -2.175 1.00 0.00 C ATOM 838 C TRP A 54 8.107 2.633 -3.058 1.00 0.00 C ATOM 839 O TRP A 54 8.208 2.511 -4.281 1.00 0.00 O ATOM 840 CB TRP A 54 9.709 0.867 -2.224 1.00 0.00 C ATOM 841 CG TRP A 54 10.768 1.884 -1.937 1.00 0.00 C ATOM 842 CD1 TRP A 54 11.745 2.257 -2.791 1.00 0.00 C ATOM 843 CD2 TRP A 54 10.952 2.694 -0.740 1.00 0.00 C ATOM 844 NE1 TRP A 54 12.517 3.242 -2.209 1.00 0.00 N ATOM 845 CE2 TRP A 54 12.049 3.579 -0.958 1.00 0.00 C ATOM 846 CE3 TRP A 54 10.307 2.764 0.511 1.00 0.00 C ATOM 847 CZ2 TRP A 54 12.464 4.512 0.003 1.00 0.00 C ATOM 848 CZ3 TRP A 54 10.729 3.678 1.491 1.00 0.00 C ATOM 849 CH2 TRP A 54 11.793 4.561 1.235 1.00 0.00 C ATOM 0 H TRP A 54 7.815 -0.305 -3.282 1.00 0.00 H new ATOM 0 HA TRP A 54 8.061 1.644 -1.133 1.00 0.00 H new ATOM 0 HB2 TRP A 54 9.803 0.053 -1.505 1.00 0.00 H new ATOM 0 HB3 TRP A 54 9.890 0.443 -3.212 1.00 0.00 H new ATOM 0 HD1 TRP A 54 11.899 1.847 -3.778 1.00 0.00 H new ATOM 0 HE1 TRP A 54 13.332 3.667 -2.650 1.00 0.00 H new ATOM 0 HE3 TRP A 54 9.477 2.106 0.719 1.00 0.00 H new ATOM 0 HZ2 TRP A 54 13.286 5.182 -0.201 1.00 0.00 H new ATOM 0 HZ3 TRP A 54 10.232 3.703 2.449 1.00 0.00 H new ATOM 0 HH2 TRP A 54 12.094 5.277 1.986 1.00 0.00 H new ATOM 860 N ASP A 55 7.857 3.804 -2.479 1.00 0.00 N ATOM 861 CA ASP A 55 7.969 5.060 -3.200 1.00 0.00 C ATOM 862 C ASP A 55 9.165 5.821 -2.665 1.00 0.00 C ATOM 863 O ASP A 55 9.140 6.330 -1.542 1.00 0.00 O ATOM 864 CB ASP A 55 6.720 5.935 -3.105 1.00 0.00 C ATOM 865 CG ASP A 55 6.975 7.238 -3.867 1.00 0.00 C ATOM 866 OD1 ASP A 55 7.682 7.214 -4.899 1.00 0.00 O ATOM 867 OD2 ASP A 55 6.521 8.306 -3.416 1.00 0.00 O ATOM 0 H ASP A 55 7.574 3.905 -1.504 1.00 0.00 H new ATOM 0 HA ASP A 55 8.091 4.817 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 55 5.860 5.413 -3.525 1.00 0.00 H new ATOM 0 HB3 ASP A 55 6.485 6.147 -2.062 1.00 0.00 H new ATOM 872 N GLY A 56 10.218 5.904 -3.467 1.00 0.00 N ATOM 873 CA GLY A 56 11.399 6.659 -3.133 1.00 0.00 C ATOM 874 C GLY A 56 11.180 8.165 -3.212 1.00 0.00 C ATOM 875 O GLY A 56 12.017 8.878 -2.659 1.00 0.00 O ATOM 0 H GLY A 56 10.268 5.441 -4.375 1.00 0.00 H new ATOM 0 HA2 GLY A 56 11.720 6.396 -2.125 1.00 0.00 H new ATOM 0 HA3 GLY A 56 12.207 6.378 -3.808 1.00 0.00 H new ATOM 879 N GLU A 57 10.109 8.678 -3.846 1.00 0.00 N ATOM 880 CA GLU A 57 9.879 10.120 -3.848 1.00 0.00 C ATOM 881 C GLU A 57 9.489 10.525 -2.436 1.00 0.00 C ATOM 882 O GLU A 57 10.162 11.351 -1.822 1.00 0.00 O ATOM 883 CB GLU A 57 8.799 10.565 -4.841 1.00 0.00 C ATOM 884 CG GLU A 57 9.139 10.241 -6.293 1.00 0.00 C ATOM 885 CD GLU A 57 8.165 10.929 -7.245 1.00 0.00 C ATOM 886 OE1 GLU A 57 8.389 12.110 -7.609 1.00 0.00 O ATOM 887 OE2 GLU A 57 7.154 10.299 -7.614 1.00 0.00 O ATOM 0 H GLU A 57 9.412 8.128 -4.348 1.00 0.00 H new ATOM 0 HA GLU A 57 10.797 10.612 -4.171 1.00 0.00 H new ATOM 0 HB2 GLU A 57 7.856 10.084 -4.580 1.00 0.00 H new ATOM 0 HB3 GLU A 57 8.646 11.640 -4.743 1.00 0.00 H new ATOM 0 HG2 GLU A 57 10.157 10.562 -6.513 1.00 0.00 H new ATOM 0 HG3 GLU A 57 9.104 9.163 -6.447 1.00 0.00 H new ATOM 894 N ARG A 58 8.437 9.900 -1.904 1.00 0.00 N ATOM 895 CA ARG A 58 7.938 10.145 -0.558 1.00 0.00 C ATOM 896 C ARG A 58 8.728 9.405 0.519 1.00 0.00 C ATOM 897 O ARG A 58 8.396 9.546 1.696 1.00 0.00 O ATOM 898 CB ARG A 58 6.458 9.742 -0.503 1.00 0.00 C ATOM 899 CG ARG A 58 5.570 10.613 -1.401 1.00 0.00 C ATOM 900 CD ARG A 58 4.123 10.093 -1.350 1.00 0.00 C ATOM 901 NE ARG A 58 3.142 11.140 -1.680 1.00 0.00 N ATOM 902 CZ ARG A 58 2.818 11.578 -2.903 1.00 0.00 C ATOM 903 NH1 ARG A 58 3.373 11.045 -3.990 1.00 0.00 N ATOM 904 NH2 ARG A 58 1.949 12.575 -3.028 1.00 0.00 N ATOM 0 H ARG A 58 7.900 9.196 -2.411 1.00 0.00 H new ATOM 0 HA ARG A 58 8.059 11.207 -0.346 1.00 0.00 H new ATOM 0 HB2 ARG A 58 6.359 8.699 -0.804 1.00 0.00 H new ATOM 0 HB3 ARG A 58 6.105 9.812 0.526 1.00 0.00 H new ATOM 0 HG2 ARG A 58 5.607 11.651 -1.070 1.00 0.00 H new ATOM 0 HG3 ARG A 58 5.939 10.592 -2.426 1.00 0.00 H new ATOM 0 HD2 ARG A 58 4.013 9.262 -2.047 1.00 0.00 H new ATOM 0 HD3 ARG A 58 3.914 9.703 -0.354 1.00 0.00 H new ATOM 0 HE ARG A 58 2.659 11.577 -0.895 1.00 0.00 H new ATOM 0 HH11 ARG A 58 4.055 10.292 -3.897 1.00 0.00 H new ATOM 0 HH12 ARG A 58 3.116 11.389 -4.915 1.00 0.00 H new ATOM 0 HH21 ARG A 58 1.536 12.999 -2.197 1.00 0.00 H new ATOM 0 HH22 ARG A 58 1.695 12.917 -3.955 1.00 0.00 H new ATOM 918 N ARG A 59 9.707 8.572 0.141 1.00 0.00 N ATOM 919 CA ARG A 59 10.510 7.703 1.008 1.00 0.00 C ATOM 920 C ARG A 59 9.609 7.023 2.029 1.00 0.00 C ATOM 921 O ARG A 59 9.782 7.212 3.239 1.00 0.00 O ATOM 922 CB ARG A 59 11.737 8.388 1.634 1.00 0.00 C ATOM 923 CG ARG A 59 12.648 9.055 0.602 1.00 0.00 C ATOM 924 CD ARG A 59 13.923 9.613 1.252 1.00 0.00 C ATOM 925 NE ARG A 59 14.394 10.803 0.533 1.00 0.00 N ATOM 926 CZ ARG A 59 15.241 11.739 0.965 1.00 0.00 C ATOM 927 NH1 ARG A 59 15.822 11.653 2.154 1.00 0.00 N ATOM 928 NH2 ARG A 59 15.505 12.786 0.198 1.00 0.00 N ATOM 0 H ARG A 59 9.975 8.482 -0.839 1.00 0.00 H new ATOM 0 HA ARG A 59 10.954 6.935 0.375 1.00 0.00 H new ATOM 0 HB2 ARG A 59 11.400 9.138 2.350 1.00 0.00 H new ATOM 0 HB3 ARG A 59 12.312 7.649 2.193 1.00 0.00 H new ATOM 0 HG2 ARG A 59 12.918 8.332 -0.168 1.00 0.00 H new ATOM 0 HG3 ARG A 59 12.108 9.862 0.106 1.00 0.00 H new ATOM 0 HD2 ARG A 59 13.725 9.866 2.294 1.00 0.00 H new ATOM 0 HD3 ARG A 59 14.701 8.850 1.251 1.00 0.00 H new ATOM 0 HE ARG A 59 14.030 10.930 -0.411 1.00 0.00 H new ATOM 0 HH11 ARG A 59 15.625 10.858 2.762 1.00 0.00 H new ATOM 0 HH12 ARG A 59 16.466 12.382 2.461 1.00 0.00 H new ATOM 0 HH21 ARG A 59 15.062 12.873 -0.717 1.00 0.00 H new ATOM 0 HH22 ARG A 59 16.152 13.505 0.522 1.00 0.00 H new ATOM 942 N THR A 60 8.618 6.283 1.553 1.00 0.00 N ATOM 943 CA THR A 60 7.719 5.520 2.393 1.00 0.00 C ATOM 944 C THR A 60 7.197 4.356 1.553 1.00 0.00 C ATOM 945 O THR A 60 7.218 4.410 0.321 1.00 0.00 O ATOM 946 CB THR A 60 6.639 6.469 2.960 1.00 0.00 C ATOM 947 OG1 THR A 60 5.959 5.874 4.044 1.00 0.00 O ATOM 948 CG2 THR A 60 5.623 6.939 1.921 1.00 0.00 C ATOM 0 H THR A 60 8.417 6.197 0.557 1.00 0.00 H new ATOM 0 HA THR A 60 8.200 5.085 3.269 1.00 0.00 H new ATOM 0 HB THR A 60 7.182 7.351 3.298 1.00 0.00 H new ATOM 0 HG1 THR A 60 5.736 6.561 4.707 1.00 0.00 H new ATOM 0 HG21 THR A 60 4.898 7.601 2.395 1.00 0.00 H new ATOM 0 HG22 THR A 60 6.139 7.476 1.125 1.00 0.00 H new ATOM 0 HG23 THR A 60 5.106 6.076 1.501 1.00 0.00 H new ATOM 956 N TYR A 61 6.742 3.291 2.207 1.00 0.00 N ATOM 957 CA TYR A 61 6.024 2.227 1.526 1.00 0.00 C ATOM 958 C TYR A 61 4.559 2.647 1.507 1.00 0.00 C ATOM 959 O TYR A 61 4.019 3.100 2.523 1.00 0.00 O ATOM 960 CB TYR A 61 6.239 0.875 2.216 1.00 0.00 C ATOM 961 CG TYR A 61 7.691 0.437 2.339 1.00 0.00 C ATOM 962 CD1 TYR A 61 8.470 0.905 3.414 1.00 0.00 C ATOM 963 CD2 TYR A 61 8.259 -0.466 1.415 1.00 0.00 C ATOM 964 CE1 TYR A 61 9.783 0.442 3.594 1.00 0.00 C ATOM 965 CE2 TYR A 61 9.563 -0.965 1.615 1.00 0.00 C ATOM 966 CZ TYR A 61 10.319 -0.546 2.735 1.00 0.00 C ATOM 967 OH TYR A 61 11.532 -1.104 3.029 1.00 0.00 O ATOM 0 H TYR A 61 6.860 3.145 3.210 1.00 0.00 H new ATOM 0 HA TYR A 61 6.391 2.086 0.509 1.00 0.00 H new ATOM 0 HB2 TYR A 61 5.804 0.921 3.214 1.00 0.00 H new ATOM 0 HB3 TYR A 61 5.691 0.112 1.664 1.00 0.00 H new ATOM 0 HD1 TYR A 61 8.055 1.624 4.104 1.00 0.00 H new ATOM 0 HD2 TYR A 61 7.692 -0.777 0.550 1.00 0.00 H new ATOM 0 HE1 TYR A 61 10.388 0.843 4.394 1.00 0.00 H new ATOM 0 HE2 TYR A 61 9.985 -1.668 0.912 1.00 0.00 H new ATOM 0 HH TYR A 61 11.484 -2.075 2.907 1.00 0.00 H new ATOM 977 N VAL A 62 3.920 2.553 0.354 1.00 0.00 N ATOM 978 CA VAL A 62 2.542 2.970 0.122 1.00 0.00 C ATOM 979 C VAL A 62 1.730 1.819 -0.471 1.00 0.00 C ATOM 980 O VAL A 62 2.315 0.928 -1.086 1.00 0.00 O ATOM 981 CB VAL A 62 2.506 4.274 -0.711 1.00 0.00 C ATOM 982 CG1 VAL A 62 2.355 5.486 0.215 1.00 0.00 C ATOM 983 CG2 VAL A 62 3.779 4.527 -1.545 1.00 0.00 C ATOM 0 H VAL A 62 4.362 2.169 -0.481 1.00 0.00 H new ATOM 0 HA VAL A 62 2.060 3.213 1.069 1.00 0.00 H new ATOM 0 HB VAL A 62 1.662 4.148 -1.389 1.00 0.00 H new ATOM 0 HG11 VAL A 62 2.331 6.398 -0.381 1.00 0.00 H new ATOM 0 HG12 VAL A 62 1.428 5.398 0.781 1.00 0.00 H new ATOM 0 HG13 VAL A 62 3.199 5.525 0.904 1.00 0.00 H new ATOM 0 HG21 VAL A 62 3.672 5.460 -2.098 1.00 0.00 H new ATOM 0 HG22 VAL A 62 4.641 4.595 -0.881 1.00 0.00 H new ATOM 0 HG23 VAL A 62 3.925 3.705 -2.245 1.00 0.00 H new ATOM 993 N PRO A 63 0.400 1.789 -0.289 1.00 0.00 N ATOM 994 CA PRO A 63 -0.433 0.707 -0.788 1.00 0.00 C ATOM 995 C PRO A 63 -0.557 0.793 -2.303 1.00 0.00 C ATOM 996 O PRO A 63 -0.904 1.840 -2.846 1.00 0.00 O ATOM 997 CB PRO A 63 -1.781 0.863 -0.089 1.00 0.00 C ATOM 998 CG PRO A 63 -1.842 2.349 0.255 1.00 0.00 C ATOM 999 CD PRO A 63 -0.385 2.729 0.495 1.00 0.00 C ATOM 0 HA PRO A 63 -0.008 -0.274 -0.577 1.00 0.00 H new ATOM 0 HB2 PRO A 63 -2.605 0.568 -0.739 1.00 0.00 H new ATOM 0 HB3 PRO A 63 -1.842 0.242 0.805 1.00 0.00 H new ATOM 0 HG2 PRO A 63 -2.278 2.930 -0.558 1.00 0.00 H new ATOM 0 HG3 PRO A 63 -2.453 2.530 1.139 1.00 0.00 H new ATOM 0 HD2 PRO A 63 -0.192 3.756 0.184 1.00 0.00 H new ATOM 0 HD3 PRO A 63 -0.132 2.663 1.553 1.00 0.00 H new ATOM 1007 N ALA A 64 -0.318 -0.324 -2.994 1.00 0.00 N ATOM 1008 CA ALA A 64 -0.370 -0.378 -4.452 1.00 0.00 C ATOM 1009 C ALA A 64 -1.751 -0.763 -4.987 1.00 0.00 C ATOM 1010 O ALA A 64 -1.897 -1.126 -6.158 1.00 0.00 O ATOM 1011 CB ALA A 64 0.726 -1.310 -4.972 1.00 0.00 C ATOM 0 H ALA A 64 -0.083 -1.215 -2.556 1.00 0.00 H new ATOM 0 HA ALA A 64 -0.186 0.628 -4.829 1.00 0.00 H new ATOM 0 HB1 ALA A 64 0.685 -1.348 -6.061 1.00 0.00 H new ATOM 0 HB2 ALA A 64 1.701 -0.936 -4.659 1.00 0.00 H new ATOM 0 HB3 ALA A 64 0.575 -2.311 -4.568 1.00 0.00 H new ATOM 1017 N LEU A 65 -2.757 -0.700 -4.124 1.00 0.00 N ATOM 1018 CA LEU A 65 -4.096 -1.227 -4.364 1.00 0.00 C ATOM 1019 C LEU A 65 -4.861 -0.397 -5.385 1.00 0.00 C ATOM 1020 O LEU A 65 -5.579 -0.951 -6.212 1.00 0.00 O ATOM 1021 CB LEU A 65 -4.910 -1.249 -3.057 1.00 0.00 C ATOM 1022 CG LEU A 65 -4.649 -2.507 -2.215 1.00 0.00 C ATOM 1023 CD1 LEU A 65 -3.395 -2.395 -1.350 1.00 0.00 C ATOM 1024 CD2 LEU A 65 -5.842 -2.780 -1.306 1.00 0.00 C ATOM 0 H LEU A 65 -2.661 -0.266 -3.206 1.00 0.00 H new ATOM 0 HA LEU A 65 -3.968 -2.238 -4.752 1.00 0.00 H new ATOM 0 HB2 LEU A 65 -4.666 -0.365 -2.467 1.00 0.00 H new ATOM 0 HB3 LEU A 65 -5.972 -1.190 -3.295 1.00 0.00 H new ATOM 0 HG LEU A 65 -4.498 -3.325 -2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 65 -3.264 -3.314 -0.779 1.00 0.00 H new ATOM 0 HD12 LEU A 65 -2.526 -2.237 -1.988 1.00 0.00 H new ATOM 0 HD13 LEU A 65 -3.500 -1.554 -0.665 1.00 0.00 H new ATOM 0 HD21 LEU A 65 -5.650 -3.673 -0.712 1.00 0.00 H new ATOM 0 HD22 LEU A 65 -5.996 -1.929 -0.642 1.00 0.00 H new ATOM 0 HD23 LEU A 65 -6.734 -2.933 -1.913 1.00 0.00 H new ATOM 1036 N GLU A 66 -4.787 0.919 -5.247 1.00 0.00 N ATOM 1037 CA GLU A 66 -5.667 1.864 -5.915 1.00 0.00 C ATOM 1038 C GLU A 66 -4.894 3.164 -6.079 1.00 0.00 C ATOM 1039 O GLU A 66 -4.760 3.657 -7.202 1.00 0.00 O ATOM 1040 CB GLU A 66 -7.013 2.031 -5.166 1.00 0.00 C ATOM 1041 CG GLU A 66 -7.053 1.905 -3.624 1.00 0.00 C ATOM 1042 CD GLU A 66 -7.275 3.232 -2.899 1.00 0.00 C ATOM 1043 OE1 GLU A 66 -6.502 4.182 -3.183 1.00 0.00 O ATOM 1044 OE2 GLU A 66 -8.114 3.258 -1.972 1.00 0.00 O ATOM 0 H GLU A 66 -4.094 1.370 -4.650 1.00 0.00 H new ATOM 0 HA GLU A 66 -5.955 1.496 -6.900 1.00 0.00 H new ATOM 0 HB2 GLU A 66 -7.409 3.014 -5.423 1.00 0.00 H new ATOM 0 HB3 GLU A 66 -7.705 1.293 -5.571 1.00 0.00 H new ATOM 0 HG2 GLU A 66 -7.848 1.213 -3.346 1.00 0.00 H new ATOM 0 HG3 GLU A 66 -6.116 1.467 -3.281 1.00 0.00 H new ATOM 1051 N GLN A 67 -4.283 3.648 -4.994 1.00 0.00 N ATOM 1052 CA GLN A 67 -3.392 4.802 -4.982 1.00 0.00 C ATOM 1053 C GLN A 67 -4.126 6.078 -5.425 1.00 0.00 C ATOM 1054 O GLN A 67 -3.525 6.989 -5.994 1.00 0.00 O ATOM 1055 CB GLN A 67 -2.111 4.472 -5.780 1.00 0.00 C ATOM 1056 CG GLN A 67 -0.819 4.862 -5.059 1.00 0.00 C ATOM 1057 CD GLN A 67 -0.588 6.368 -4.978 1.00 0.00 C ATOM 1058 OE1 GLN A 67 -0.153 6.986 -5.951 1.00 0.00 O ATOM 1059 NE2 GLN A 67 -0.841 6.975 -3.829 1.00 0.00 N ATOM 0 H GLN A 67 -4.402 3.230 -4.071 1.00 0.00 H new ATOM 0 HA GLN A 67 -3.067 5.021 -3.965 1.00 0.00 H new ATOM 0 HB2 GLN A 67 -2.090 3.403 -5.991 1.00 0.00 H new ATOM 0 HB3 GLN A 67 -2.150 4.986 -6.741 1.00 0.00 H new ATOM 0 HG2 GLN A 67 -0.840 4.452 -4.049 1.00 0.00 H new ATOM 0 HG3 GLN A 67 0.025 4.402 -5.572 1.00 0.00 H new ATOM 0 HE21 GLN A 67 -1.201 6.441 -3.038 1.00 0.00 H new ATOM 0 HE22 GLN A 67 -0.676 7.977 -3.735 1.00 0.00 H new ATOM 1068 N SER A 68 -5.443 6.131 -5.222 1.00 0.00 N ATOM 1069 CA SER A 68 -6.322 7.218 -5.617 1.00 0.00 C ATOM 1070 C SER A 68 -7.614 7.035 -4.832 1.00 0.00 C ATOM 1071 O SER A 68 -8.468 6.230 -5.209 1.00 0.00 O ATOM 1072 CB SER A 68 -6.585 7.171 -7.126 1.00 0.00 C ATOM 1073 OG SER A 68 -5.442 7.608 -7.845 1.00 0.00 O ATOM 0 H SER A 68 -5.945 5.376 -4.754 1.00 0.00 H new ATOM 0 HA SER A 68 -5.874 8.189 -5.404 1.00 0.00 H new ATOM 0 HB2 SER A 68 -6.843 6.155 -7.424 1.00 0.00 H new ATOM 0 HB3 SER A 68 -7.439 7.802 -7.372 1.00 0.00 H new ATOM 0 HG SER A 68 -4.659 7.590 -7.256 1.00 0.00 H new ATOM 1079 N ALA A 69 -7.726 7.745 -3.713 1.00 0.00 N ATOM 1080 CA ALA A 69 -8.927 7.817 -2.908 1.00 0.00 C ATOM 1081 C ALA A 69 -8.874 9.106 -2.095 1.00 0.00 C ATOM 1082 O ALA A 69 -7.829 9.755 -1.989 1.00 0.00 O ATOM 1083 CB ALA A 69 -8.995 6.613 -1.970 1.00 0.00 C ATOM 0 H ALA A 69 -6.958 8.300 -3.336 1.00 0.00 H new ATOM 0 HA ALA A 69 -9.811 7.809 -3.545 1.00 0.00 H new ATOM 0 HB1 ALA A 69 -9.901 6.673 -1.367 1.00 0.00 H new ATOM 0 HB2 ALA A 69 -9.010 5.695 -2.557 1.00 0.00 H new ATOM 0 HB3 ALA A 69 -8.123 6.612 -1.316 1.00 0.00 H new ATOM 1089 N ASP A 70 -9.989 9.433 -1.451 1.00 0.00 N ATOM 1090 CA ASP A 70 -10.217 10.723 -0.812 1.00 0.00 C ATOM 1091 C ASP A 70 -9.400 10.903 0.466 1.00 0.00 C ATOM 1092 O ASP A 70 -9.211 12.028 0.925 1.00 0.00 O ATOM 1093 CB ASP A 70 -11.702 10.845 -0.476 1.00 0.00 C ATOM 1094 CG ASP A 70 -12.096 12.299 -0.259 1.00 0.00 C ATOM 1095 OD1 ASP A 70 -12.085 13.060 -1.251 1.00 0.00 O ATOM 1096 OD2 ASP A 70 -12.525 12.660 0.861 1.00 0.00 O ATOM 0 H ASP A 70 -10.778 8.793 -1.357 1.00 0.00 H new ATOM 0 HA ASP A 70 -9.900 11.498 -1.509 1.00 0.00 H new ATOM 0 HB2 ASP A 70 -12.297 10.420 -1.284 1.00 0.00 H new ATOM 0 HB3 ASP A 70 -11.924 10.267 0.421 1.00 0.00 H new ATOM 1101 N GLY A 71 -8.900 9.805 1.035 1.00 0.00 N ATOM 1102 CA GLY A 71 -8.016 9.800 2.192 1.00 0.00 C ATOM 1103 C GLY A 71 -8.167 8.551 3.054 1.00 0.00 C ATOM 1104 O GLY A 71 -7.267 8.244 3.835 1.00 0.00 O ATOM 0 H GLY A 71 -9.108 8.868 0.690 1.00 0.00 H new ATOM 0 HA2 GLY A 71 -6.983 9.878 1.853 1.00 0.00 H new ATOM 0 HA3 GLY A 71 -8.219 10.681 2.801 1.00 0.00 H new ATOM 1108 N HIS A 72 -9.255 7.790 2.881 1.00 0.00 N ATOM 1109 CA HIS A 72 -9.338 6.441 3.429 1.00 0.00 C ATOM 1110 C HIS A 72 -8.243 5.571 2.821 1.00 0.00 C ATOM 1111 O HIS A 72 -7.517 4.926 3.569 1.00 0.00 O ATOM 1112 CB HIS A 72 -10.711 5.817 3.183 1.00 0.00 C ATOM 1113 CG HIS A 72 -11.695 6.178 4.259 1.00 0.00 C ATOM 1114 ND1 HIS A 72 -12.007 5.386 5.337 1.00 0.00 N ATOM 1115 CD2 HIS A 72 -12.390 7.349 4.378 1.00 0.00 C ATOM 1116 CE1 HIS A 72 -12.869 6.065 6.106 1.00 0.00 C ATOM 1117 NE2 HIS A 72 -13.155 7.257 5.548 1.00 0.00 N ATOM 0 H HIS A 72 -10.084 8.089 2.367 1.00 0.00 H new ATOM 0 HA HIS A 72 -9.195 6.503 4.508 1.00 0.00 H new ATOM 0 HB2 HIS A 72 -11.092 6.149 2.217 1.00 0.00 H new ATOM 0 HB3 HIS A 72 -10.612 4.733 3.131 1.00 0.00 H new ATOM 0 HD2 HIS A 72 -12.356 8.187 3.698 1.00 0.00 H new ATOM 0 HE1 HIS A 72 -13.276 5.707 7.040 1.00 0.00 H new ATOM 0 HE2 HIS A 72 -13.803 7.957 5.908 1.00 0.00 H new ATOM 1125 N LYS A 73 -8.128 5.571 1.482 1.00 0.00 N ATOM 1126 CA LYS A 73 -7.101 4.929 0.642 1.00 0.00 C ATOM 1127 C LYS A 73 -6.853 3.436 0.892 1.00 0.00 C ATOM 1128 O LYS A 73 -5.880 2.862 0.388 1.00 0.00 O ATOM 1129 CB LYS A 73 -5.845 5.825 0.548 1.00 0.00 C ATOM 1130 CG LYS A 73 -5.072 6.099 1.847 1.00 0.00 C ATOM 1131 CD LYS A 73 -4.440 4.854 2.480 1.00 0.00 C ATOM 1132 CE LYS A 73 -3.576 5.271 3.669 1.00 0.00 C ATOM 1133 NZ LYS A 73 -2.136 5.174 3.362 1.00 0.00 N ATOM 0 H LYS A 73 -8.812 6.064 0.908 1.00 0.00 H new ATOM 0 HA LYS A 73 -7.516 4.866 -0.364 1.00 0.00 H new ATOM 0 HB2 LYS A 73 -5.157 5.367 -0.163 1.00 0.00 H new ATOM 0 HB3 LYS A 73 -6.146 6.784 0.127 1.00 0.00 H new ATOM 0 HG2 LYS A 73 -4.287 6.826 1.642 1.00 0.00 H new ATOM 0 HG3 LYS A 73 -5.749 6.556 2.569 1.00 0.00 H new ATOM 0 HD2 LYS A 73 -5.218 4.164 2.806 1.00 0.00 H new ATOM 0 HD3 LYS A 73 -3.834 4.326 1.744 1.00 0.00 H new ATOM 0 HE2 LYS A 73 -3.819 6.295 3.953 1.00 0.00 H new ATOM 0 HE3 LYS A 73 -3.808 4.639 4.526 1.00 0.00 H new ATOM 0 HZ1 LYS A 73 -1.583 5.465 4.193 1.00 0.00 H new ATOM 0 HZ2 LYS A 73 -1.899 4.192 3.115 1.00 0.00 H new ATOM 0 HZ3 LYS A 73 -1.909 5.796 2.560 1.00 0.00 H new ATOM 1147 N GLU A 74 -7.710 2.817 1.697 1.00 0.00 N ATOM 1148 CA GLU A 74 -7.582 1.456 2.175 1.00 0.00 C ATOM 1149 C GLU A 74 -7.991 0.467 1.094 1.00 0.00 C ATOM 1150 O GLU A 74 -7.331 -0.557 0.912 1.00 0.00 O ATOM 1151 CB GLU A 74 -8.468 1.288 3.416 1.00 0.00 C ATOM 1152 CG GLU A 74 -8.146 0.003 4.198 1.00 0.00 C ATOM 1153 CD GLU A 74 -6.755 -0.004 4.848 1.00 0.00 C ATOM 1154 OE1 GLU A 74 -5.748 -0.189 4.126 1.00 0.00 O ATOM 1155 OE2 GLU A 74 -6.677 0.179 6.086 1.00 0.00 O ATOM 0 H GLU A 74 -8.550 3.277 2.047 1.00 0.00 H new ATOM 0 HA GLU A 74 -6.542 1.256 2.433 1.00 0.00 H new ATOM 0 HB2 GLU A 74 -8.339 2.150 4.070 1.00 0.00 H new ATOM 0 HB3 GLU A 74 -9.515 1.272 3.112 1.00 0.00 H new ATOM 0 HG2 GLU A 74 -8.899 -0.135 4.974 1.00 0.00 H new ATOM 0 HG3 GLU A 74 -8.224 -0.849 3.523 1.00 0.00 H new ATOM 1162 N THR A 75 -9.060 0.787 0.371 1.00 0.00 N ATOM 1163 CA THR A 75 -9.631 -0.048 -0.675 1.00 0.00 C ATOM 1164 C THR A 75 -10.445 0.821 -1.626 1.00 0.00 C ATOM 1165 O THR A 75 -10.429 0.592 -2.838 1.00 0.00 O ATOM 1166 CB THR A 75 -10.554 -1.152 -0.093 1.00 0.00 C ATOM 1167 OG1 THR A 75 -10.405 -1.381 1.298 1.00 0.00 O ATOM 1168 CG2 THR A 75 -10.307 -2.476 -0.808 1.00 0.00 C ATOM 0 H THR A 75 -9.567 1.662 0.503 1.00 0.00 H new ATOM 0 HA THR A 75 -8.808 -0.532 -1.200 1.00 0.00 H new ATOM 0 HB THR A 75 -11.565 -0.778 -0.254 1.00 0.00 H new ATOM 0 HG1 THR A 75 -11.022 -2.088 1.581 1.00 0.00 H new ATOM 0 HG21 THR A 75 -10.960 -3.242 -0.391 1.00 0.00 H new ATOM 0 HG22 THR A 75 -10.517 -2.360 -1.871 1.00 0.00 H new ATOM 0 HG23 THR A 75 -9.267 -2.774 -0.674 1.00 0.00 H new ATOM 1176 N GLY A 76 -11.193 1.777 -1.065 1.00 0.00 N ATOM 1177 CA GLY A 76 -12.219 2.517 -1.785 1.00 0.00 C ATOM 1178 C GLY A 76 -12.984 3.448 -0.852 1.00 0.00 C ATOM 1179 O GLY A 76 -12.408 4.005 0.093 1.00 0.00 O ATOM 0 H GLY A 76 -11.097 2.057 -0.089 1.00 0.00 H new ATOM 0 HA2 GLY A 76 -11.759 3.097 -2.585 1.00 0.00 H new ATOM 0 HA3 GLY A 76 -12.912 1.819 -2.255 1.00 0.00 H new ATOM 1183 N ALA A 77 -14.280 3.629 -1.116 1.00 0.00 N ATOM 1184 CA ALA A 77 -15.176 4.548 -0.418 1.00 0.00 C ATOM 1185 C ALA A 77 -16.585 3.940 -0.310 1.00 0.00 C ATOM 1186 O ALA A 77 -16.863 2.945 -0.984 1.00 0.00 O ATOM 1187 CB ALA A 77 -15.226 5.854 -1.216 1.00 0.00 C ATOM 0 H ALA A 77 -14.754 3.113 -1.858 1.00 0.00 H new ATOM 0 HA ALA A 77 -14.811 4.734 0.592 1.00 0.00 H new ATOM 0 HB1 ALA A 77 -15.889 6.560 -0.717 1.00 0.00 H new ATOM 0 HB2 ALA A 77 -14.225 6.280 -1.280 1.00 0.00 H new ATOM 0 HB3 ALA A 77 -15.600 5.653 -2.220 1.00 0.00 H new ATOM 1193 N PRO A 78 -17.480 4.473 0.540 1.00 0.00 N ATOM 1194 CA PRO A 78 -18.926 4.350 0.382 1.00 0.00 C ATOM 1195 C PRO A 78 -19.392 5.179 -0.833 1.00 0.00 C ATOM 1196 O PRO A 78 -18.607 5.486 -1.735 1.00 0.00 O ATOM 1197 CB PRO A 78 -19.515 4.798 1.727 1.00 0.00 C ATOM 1198 CG PRO A 78 -18.505 5.821 2.230 1.00 0.00 C ATOM 1199 CD PRO A 78 -17.170 5.288 1.704 1.00 0.00 C ATOM 0 HA PRO A 78 -19.264 3.337 0.164 1.00 0.00 H new ATOM 0 HB2 PRO A 78 -20.505 5.237 1.606 1.00 0.00 H new ATOM 0 HB3 PRO A 78 -19.619 3.962 2.419 1.00 0.00 H new ATOM 0 HG2 PRO A 78 -18.719 6.819 1.847 1.00 0.00 H new ATOM 0 HG3 PRO A 78 -18.510 5.890 3.318 1.00 0.00 H new ATOM 0 HD2 PRO A 78 -16.503 6.108 1.437 1.00 0.00 H new ATOM 0 HD3 PRO A 78 -16.661 4.698 2.466 1.00 0.00 H new ATOM 1207 N SER A 79 -20.700 5.450 -0.950 1.00 0.00 N ATOM 1208 CA SER A 79 -21.282 6.237 -2.044 1.00 0.00 C ATOM 1209 C SER A 79 -21.092 5.564 -3.426 1.00 0.00 C ATOM 1210 O SER A 79 -21.392 6.159 -4.458 1.00 0.00 O ATOM 1211 CB SER A 79 -20.702 7.665 -1.981 1.00 0.00 C ATOM 1212 OG SER A 79 -21.603 8.656 -2.444 1.00 0.00 O ATOM 0 H SER A 79 -21.393 5.123 -0.276 1.00 0.00 H new ATOM 0 HA SER A 79 -22.363 6.291 -1.916 1.00 0.00 H new ATOM 0 HB2 SER A 79 -20.421 7.891 -0.952 1.00 0.00 H new ATOM 0 HB3 SER A 79 -19.790 7.706 -2.576 1.00 0.00 H new ATOM 0 HG SER A 79 -21.181 9.538 -2.379 1.00 0.00 H new ATOM 1218 N LYS A 80 -20.605 4.316 -3.486 1.00 0.00 N ATOM 1219 CA LYS A 80 -20.427 3.584 -4.745 1.00 0.00 C ATOM 1220 C LYS A 80 -21.649 2.736 -5.108 1.00 0.00 C ATOM 1221 O LYS A 80 -21.644 2.101 -6.156 1.00 0.00 O ATOM 1222 CB LYS A 80 -19.106 2.777 -4.702 1.00 0.00 C ATOM 1223 CG LYS A 80 -19.100 1.394 -4.010 1.00 0.00 C ATOM 1224 CD LYS A 80 -19.274 0.239 -5.015 1.00 0.00 C ATOM 1225 CE LYS A 80 -19.081 -1.163 -4.429 1.00 0.00 C ATOM 1226 NZ LYS A 80 -17.672 -1.602 -4.468 1.00 0.00 N ATOM 0 H LYS A 80 -20.324 3.787 -2.661 1.00 0.00 H new ATOM 0 HA LYS A 80 -20.344 4.306 -5.558 1.00 0.00 H new ATOM 0 HB2 LYS A 80 -18.774 2.633 -5.730 1.00 0.00 H new ATOM 0 HB3 LYS A 80 -18.357 3.396 -4.209 1.00 0.00 H new ATOM 0 HG2 LYS A 80 -18.163 1.264 -3.469 1.00 0.00 H new ATOM 0 HG3 LYS A 80 -19.902 1.355 -3.272 1.00 0.00 H new ATOM 0 HD2 LYS A 80 -20.272 0.301 -5.448 1.00 0.00 H new ATOM 0 HD3 LYS A 80 -18.564 0.377 -5.830 1.00 0.00 H new ATOM 0 HE2 LYS A 80 -19.433 -1.174 -3.398 1.00 0.00 H new ATOM 0 HE3 LYS A 80 -19.695 -1.873 -4.983 1.00 0.00 H new ATOM 0 HZ1 LYS A 80 -17.594 -2.556 -4.061 1.00 0.00 H new ATOM 0 HZ2 LYS A 80 -17.341 -1.618 -5.454 1.00 0.00 H new ATOM 0 HZ3 LYS A 80 -17.087 -0.941 -3.917 1.00 0.00 H new ATOM 1240 N GLU A 81 -22.643 2.654 -4.218 1.00 0.00 N ATOM 1241 CA GLU A 81 -23.777 1.733 -4.264 1.00 0.00 C ATOM 1242 C GLU A 81 -24.581 1.987 -2.992 1.00 0.00 C ATOM 1243 O GLU A 81 -25.806 2.094 -2.983 1.00 0.00 O ATOM 1244 CB GLU A 81 -23.297 0.261 -4.222 1.00 0.00 C ATOM 1245 CG GLU A 81 -23.637 -0.556 -5.472 1.00 0.00 C ATOM 1246 CD GLU A 81 -23.972 -1.997 -5.089 1.00 0.00 C ATOM 1247 OE1 GLU A 81 -25.069 -2.235 -4.525 1.00 0.00 O ATOM 1248 OE2 GLU A 81 -23.140 -2.912 -5.268 1.00 0.00 O ATOM 0 H GLU A 81 -22.677 3.264 -3.401 1.00 0.00 H new ATOM 0 HA GLU A 81 -24.350 1.891 -5.178 1.00 0.00 H new ATOM 0 HB2 GLU A 81 -22.217 0.249 -4.079 1.00 0.00 H new ATOM 0 HB3 GLU A 81 -23.739 -0.227 -3.353 1.00 0.00 H new ATOM 0 HG2 GLU A 81 -24.483 -0.105 -5.991 1.00 0.00 H new ATOM 0 HG3 GLU A 81 -22.795 -0.543 -6.164 1.00 0.00 H new ATOM 1255 N GLY A 82 -23.835 2.061 -1.889 1.00 0.00 N ATOM 1256 CA GLY A 82 -24.314 1.990 -0.525 1.00 0.00 C ATOM 1257 C GLY A 82 -24.905 3.321 -0.104 1.00 0.00 C ATOM 1258 O GLY A 82 -24.275 4.060 0.652 1.00 0.00 O ATOM 0 H GLY A 82 -22.823 2.179 -1.936 1.00 0.00 H new ATOM 0 HA2 GLY A 82 -25.067 1.206 -0.437 1.00 0.00 H new ATOM 0 HA3 GLY A 82 -23.495 1.721 0.142 1.00 0.00 H new ATOM 1262 N LYS A 83 -26.116 3.587 -0.585 1.00 0.00 N ATOM 1263 CA LYS A 83 -26.964 4.725 -0.219 1.00 0.00 C ATOM 1264 C LYS A 83 -26.263 6.035 -0.564 1.00 0.00 C ATOM 1265 O LYS A 83 -26.180 6.960 0.242 1.00 0.00 O ATOM 1266 CB LYS A 83 -27.465 4.623 1.237 1.00 0.00 C ATOM 1267 CG LYS A 83 -27.969 3.214 1.579 1.00 0.00 C ATOM 1268 CD LYS A 83 -28.851 3.174 2.831 1.00 0.00 C ATOM 1269 CE LYS A 83 -29.095 1.731 3.301 1.00 0.00 C ATOM 1270 NZ LYS A 83 -29.716 0.889 2.257 1.00 0.00 N ATOM 0 H LYS A 83 -26.559 2.984 -1.278 1.00 0.00 H new ATOM 0 HA LYS A 83 -27.875 4.704 -0.816 1.00 0.00 H new ATOM 0 HB2 LYS A 83 -26.657 4.893 1.917 1.00 0.00 H new ATOM 0 HB3 LYS A 83 -28.268 5.343 1.394 1.00 0.00 H new ATOM 0 HG2 LYS A 83 -28.533 2.822 0.733 1.00 0.00 H new ATOM 0 HG3 LYS A 83 -27.113 2.555 1.724 1.00 0.00 H new ATOM 0 HD2 LYS A 83 -28.376 3.743 3.630 1.00 0.00 H new ATOM 0 HD3 LYS A 83 -29.806 3.656 2.621 1.00 0.00 H new ATOM 0 HE2 LYS A 83 -28.147 1.287 3.604 1.00 0.00 H new ATOM 0 HE3 LYS A 83 -29.737 1.744 4.182 1.00 0.00 H new ATOM 0 HZ1 LYS A 83 -29.967 -0.036 2.661 1.00 0.00 H new ATOM 0 HZ2 LYS A 83 -30.574 1.355 1.900 1.00 0.00 H new ATOM 0 HZ3 LYS A 83 -29.044 0.754 1.475 1.00 0.00 H new ATOM 1284 N GLU A 84 -25.774 6.066 -1.799 1.00 0.00 N ATOM 1285 CA GLU A 84 -25.302 7.225 -2.528 1.00 0.00 C ATOM 1286 C GLU A 84 -26.360 8.329 -2.627 1.00 0.00 C ATOM 1287 O GLU A 84 -26.088 9.457 -2.214 1.00 0.00 O ATOM 1288 CB GLU A 84 -24.740 6.802 -3.906 1.00 0.00 C ATOM 1289 CG GLU A 84 -25.208 5.474 -4.546 1.00 0.00 C ATOM 1290 CD GLU A 84 -26.714 5.348 -4.820 1.00 0.00 C ATOM 1291 OE1 GLU A 84 -27.484 5.273 -3.831 1.00 0.00 O ATOM 1292 OE2 GLU A 84 -27.127 5.292 -5.997 1.00 0.00 O ATOM 0 H GLU A 84 -25.694 5.214 -2.354 1.00 0.00 H new ATOM 0 HA GLU A 84 -24.483 7.668 -1.961 1.00 0.00 H new ATOM 0 HB2 GLU A 84 -24.968 7.602 -4.611 1.00 0.00 H new ATOM 0 HB3 GLU A 84 -23.655 6.756 -3.816 1.00 0.00 H new ATOM 0 HG2 GLU A 84 -24.676 5.341 -5.488 1.00 0.00 H new ATOM 0 HG3 GLU A 84 -24.909 4.654 -3.893 1.00 0.00 H new ATOM 1299 N LYS A 85 -27.543 8.038 -3.180 1.00 0.00 N ATOM 1300 CA LYS A 85 -28.501 9.050 -3.657 1.00 0.00 C ATOM 1301 C LYS A 85 -29.920 8.830 -3.133 1.00 0.00 C ATOM 1302 O LYS A 85 -30.876 9.418 -3.637 1.00 0.00 O ATOM 1303 CB LYS A 85 -28.453 9.119 -5.196 1.00 0.00 C ATOM 1304 CG LYS A 85 -29.146 7.934 -5.892 1.00 0.00 C ATOM 1305 CD LYS A 85 -28.711 7.841 -7.355 1.00 0.00 C ATOM 1306 CE LYS A 85 -29.279 6.596 -8.032 1.00 0.00 C ATOM 1307 NZ LYS A 85 -28.791 6.483 -9.416 1.00 0.00 N ATOM 0 H LYS A 85 -27.869 7.081 -3.312 1.00 0.00 H new ATOM 0 HA LYS A 85 -28.198 10.015 -3.250 1.00 0.00 H new ATOM 0 HB2 LYS A 85 -28.923 10.046 -5.524 1.00 0.00 H new ATOM 0 HB3 LYS A 85 -27.412 9.158 -5.517 1.00 0.00 H new ATOM 0 HG2 LYS A 85 -28.901 7.007 -5.374 1.00 0.00 H new ATOM 0 HG3 LYS A 85 -30.228 8.054 -5.835 1.00 0.00 H new ATOM 0 HD2 LYS A 85 -29.042 8.730 -7.891 1.00 0.00 H new ATOM 0 HD3 LYS A 85 -27.623 7.822 -7.411 1.00 0.00 H new ATOM 0 HE2 LYS A 85 -28.994 5.708 -7.468 1.00 0.00 H new ATOM 0 HE3 LYS A 85 -30.368 6.640 -8.028 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 -29.190 5.629 -9.856 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 -29.084 7.321 -9.957 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 -27.753 6.418 -9.414 1.00 0.00 H new ATOM 1321 N LYS A 86 -30.100 7.957 -2.141 1.00 0.00 N ATOM 1322 CA LYS A 86 -31.402 7.654 -1.553 1.00 0.00 C ATOM 1323 C LYS A 86 -31.222 7.698 -0.048 1.00 0.00 C ATOM 1324 O LYS A 86 -30.810 6.698 0.535 1.00 0.00 O ATOM 1325 CB LYS A 86 -31.929 6.288 -2.040 1.00 0.00 C ATOM 1326 CG LYS A 86 -32.176 6.169 -3.554 1.00 0.00 C ATOM 1327 CD LYS A 86 -33.349 7.029 -4.054 1.00 0.00 C ATOM 1328 CE LYS A 86 -33.491 6.976 -5.584 1.00 0.00 C ATOM 1329 NZ LYS A 86 -33.815 5.620 -6.094 1.00 0.00 N ATOM 0 H LYS A 86 -29.333 7.434 -1.718 1.00 0.00 H new ATOM 0 HA LYS A 86 -32.152 8.382 -1.861 1.00 0.00 H new ATOM 0 HB2 LYS A 86 -31.216 5.518 -1.745 1.00 0.00 H new ATOM 0 HB3 LYS A 86 -32.863 6.073 -1.520 1.00 0.00 H new ATOM 0 HG2 LYS A 86 -31.270 6.460 -4.086 1.00 0.00 H new ATOM 0 HG3 LYS A 86 -32.370 5.125 -3.802 1.00 0.00 H new ATOM 0 HD2 LYS A 86 -34.274 6.684 -3.592 1.00 0.00 H new ATOM 0 HD3 LYS A 86 -33.201 8.062 -3.739 1.00 0.00 H new ATOM 0 HE2 LYS A 86 -34.272 7.670 -5.894 1.00 0.00 H new ATOM 0 HE3 LYS A 86 -32.562 7.317 -6.041 1.00 0.00 H new ATOM 0 HZ1 LYS A 86 -33.914 5.653 -7.129 1.00 0.00 H new ATOM 0 HZ2 LYS A 86 -33.051 4.962 -5.840 1.00 0.00 H new ATOM 0 HZ3 LYS A 86 -34.707 5.294 -5.671 1.00 0.00 H new ATOM 1343 N GLU A 87 -31.487 8.847 0.574 1.00 0.00 N ATOM 1344 CA GLU A 87 -31.267 9.025 2.010 1.00 0.00 C ATOM 1345 C GLU A 87 -32.383 8.414 2.871 1.00 0.00 C ATOM 1346 O GLU A 87 -32.398 8.661 4.077 1.00 0.00 O ATOM 1347 CB GLU A 87 -31.073 10.515 2.375 1.00 0.00 C ATOM 1348 CG GLU A 87 -29.938 10.823 3.381 1.00 0.00 C ATOM 1349 CD GLU A 87 -29.652 9.786 4.492 1.00 0.00 C ATOM 1350 OE1 GLU A 87 -29.159 8.677 4.170 1.00 0.00 O ATOM 1351 OE2 GLU A 87 -29.752 10.107 5.694 1.00 0.00 O ATOM 0 H GLU A 87 -31.856 9.673 0.103 1.00 0.00 H new ATOM 0 HA GLU A 87 -30.349 8.482 2.236 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -30.880 11.071 1.458 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -32.009 10.893 2.786 1.00 0.00 H new ATOM 0 HG2 GLU A 87 -29.019 10.967 2.813 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -30.167 11.774 3.862 1.00 0.00 H new ATOM 1358 N LYS A 88 -33.303 7.609 2.299 1.00 0.00 N ATOM 1359 CA LYS A 88 -34.487 7.076 2.996 1.00 0.00 C ATOM 1360 C LYS A 88 -35.184 8.237 3.730 1.00 0.00 C ATOM 1361 O LYS A 88 -35.155 9.366 3.246 1.00 0.00 O ATOM 1362 CB LYS A 88 -34.163 5.784 3.807 1.00 0.00 C ATOM 1363 CG LYS A 88 -33.020 5.993 4.803 1.00 0.00 C ATOM 1364 CD LYS A 88 -32.524 4.846 5.674 1.00 0.00 C ATOM 1365 CE LYS A 88 -31.466 5.432 6.635 1.00 0.00 C ATOM 1366 NZ LYS A 88 -30.361 6.163 5.958 1.00 0.00 N ATOM 0 H LYS A 88 -33.241 7.308 1.326 1.00 0.00 H new ATOM 0 HA LYS A 88 -35.232 6.693 2.298 1.00 0.00 H new ATOM 0 HB2 LYS A 88 -35.055 5.462 4.344 1.00 0.00 H new ATOM 0 HB3 LYS A 88 -33.899 4.982 3.118 1.00 0.00 H new ATOM 0 HG2 LYS A 88 -32.164 6.358 4.236 1.00 0.00 H new ATOM 0 HG3 LYS A 88 -33.323 6.797 5.474 1.00 0.00 H new ATOM 0 HD2 LYS A 88 -33.348 4.402 6.232 1.00 0.00 H new ATOM 0 HD3 LYS A 88 -32.092 4.055 5.061 1.00 0.00 H new ATOM 0 HE2 LYS A 88 -31.960 6.109 7.332 1.00 0.00 H new ATOM 0 HE3 LYS A 88 -31.041 4.621 7.226 1.00 0.00 H new ATOM 0 HZ1 LYS A 88 -29.583 6.317 6.631 1.00 0.00 H new ATOM 0 HZ2 LYS A 88 -30.016 5.603 5.153 1.00 0.00 H new ATOM 0 HZ3 LYS A 88 -30.710 7.081 5.617 1.00 0.00 H new ATOM 1380 N HIS A 89 -35.913 7.976 4.809 1.00 0.00 N ATOM 1381 CA HIS A 89 -36.495 8.995 5.682 1.00 0.00 C ATOM 1382 C HIS A 89 -36.192 8.605 7.135 1.00 0.00 C ATOM 1383 O HIS A 89 -37.088 8.449 7.960 1.00 0.00 O ATOM 1384 CB HIS A 89 -37.987 9.238 5.363 1.00 0.00 C ATOM 1385 CG HIS A 89 -38.952 8.074 5.492 1.00 0.00 C ATOM 1386 ND1 HIS A 89 -40.318 8.186 5.645 1.00 0.00 N ATOM 1387 CD2 HIS A 89 -38.664 6.737 5.433 1.00 0.00 C ATOM 1388 CE1 HIS A 89 -40.831 6.942 5.679 1.00 0.00 C ATOM 1389 NE2 HIS A 89 -39.858 6.026 5.545 1.00 0.00 N ATOM 0 H HIS A 89 -36.123 7.025 5.111 1.00 0.00 H new ATOM 0 HA HIS A 89 -36.040 9.970 5.506 1.00 0.00 H new ATOM 0 HB2 HIS A 89 -38.340 10.036 6.016 1.00 0.00 H new ATOM 0 HB3 HIS A 89 -38.051 9.611 4.341 1.00 0.00 H new ATOM 0 HD2 HIS A 89 -37.680 6.307 5.319 1.00 0.00 H new ATOM 0 HE1 HIS A 89 -41.880 6.712 5.798 1.00 0.00 H new ATOM 0 HE2 HIS A 89 -39.970 5.012 5.528 1.00 0.00 H new ATOM 1397 N LYS A 90 -34.911 8.299 7.417 1.00 0.00 N ATOM 1398 CA LYS A 90 -34.555 7.230 8.364 1.00 0.00 C ATOM 1399 C LYS A 90 -35.363 5.969 7.982 1.00 0.00 C ATOM 1400 O LYS A 90 -35.817 5.836 6.842 1.00 0.00 O ATOM 1401 CB LYS A 90 -34.751 7.709 9.826 1.00 0.00 C ATOM 1402 CG LYS A 90 -33.954 6.919 10.889 1.00 0.00 C ATOM 1403 CD LYS A 90 -32.649 7.591 11.343 1.00 0.00 C ATOM 1404 CE LYS A 90 -31.998 6.722 12.435 1.00 0.00 C ATOM 1405 NZ LYS A 90 -30.817 7.360 13.062 1.00 0.00 N ATOM 0 H LYS A 90 -34.110 8.776 7.003 1.00 0.00 H new ATOM 0 HA LYS A 90 -33.498 6.970 8.302 1.00 0.00 H new ATOM 0 HB2 LYS A 90 -34.467 8.760 9.889 1.00 0.00 H new ATOM 0 HB3 LYS A 90 -35.811 7.650 10.072 1.00 0.00 H new ATOM 0 HG2 LYS A 90 -34.590 6.766 11.761 1.00 0.00 H new ATOM 0 HG3 LYS A 90 -33.719 5.933 10.489 1.00 0.00 H new ATOM 0 HD2 LYS A 90 -31.970 7.707 10.498 1.00 0.00 H new ATOM 0 HD3 LYS A 90 -32.853 8.590 11.727 1.00 0.00 H new ATOM 0 HE2 LYS A 90 -32.737 6.504 13.206 1.00 0.00 H new ATOM 0 HE3 LYS A 90 -31.700 5.768 12.001 1.00 0.00 H new ATOM 0 HZ1 LYS A 90 -30.424 6.727 13.787 1.00 0.00 H new ATOM 0 HZ2 LYS A 90 -30.096 7.544 12.336 1.00 0.00 H new ATOM 0 HZ3 LYS A 90 -31.101 8.258 13.503 1.00 0.00 H new ATOM 1419 N THR A 91 -35.444 4.985 8.866 1.00 0.00 N ATOM 1420 CA THR A 91 -36.533 4.025 8.952 1.00 0.00 C ATOM 1421 C THR A 91 -36.502 3.635 10.430 1.00 0.00 C ATOM 1422 O THR A 91 -35.470 3.139 10.889 1.00 0.00 O ATOM 1423 CB THR A 91 -36.326 2.805 8.025 1.00 0.00 C ATOM 1424 OG1 THR A 91 -35.718 3.160 6.795 1.00 0.00 O ATOM 1425 CG2 THR A 91 -37.666 2.137 7.710 1.00 0.00 C ATOM 0 H THR A 91 -34.724 4.828 9.571 1.00 0.00 H new ATOM 0 HA THR A 91 -37.490 4.432 8.626 1.00 0.00 H new ATOM 0 HB THR A 91 -35.668 2.122 8.562 1.00 0.00 H new ATOM 0 HG1 THR A 91 -35.965 4.079 6.561 1.00 0.00 H new ATOM 0 HG21 THR A 91 -37.501 1.280 7.056 1.00 0.00 H new ATOM 0 HG22 THR A 91 -38.132 1.802 8.637 1.00 0.00 H new ATOM 0 HG23 THR A 91 -38.321 2.852 7.212 1.00 0.00 H new ATOM 1433 N LYS A 92 -37.511 4.007 11.214 1.00 0.00 N ATOM 1434 CA LYS A 92 -37.669 3.571 12.591 1.00 0.00 C ATOM 1435 C LYS A 92 -39.158 3.655 12.820 1.00 0.00 C ATOM 1436 O LYS A 92 -39.681 4.768 12.628 1.00 0.00 O ATOM 1437 CB LYS A 92 -36.861 4.460 13.567 1.00 0.00 C ATOM 1438 CG LYS A 92 -36.662 3.850 14.972 1.00 0.00 C ATOM 1439 CD LYS A 92 -37.637 4.307 16.079 1.00 0.00 C ATOM 1440 CE LYS A 92 -39.081 3.939 15.732 1.00 0.00 C ATOM 1441 NZ LYS A 92 -40.050 4.036 16.837 1.00 0.00 N ATOM 0 H LYS A 92 -38.254 4.632 10.900 1.00 0.00 H new ATOM 0 HA LYS A 92 -37.285 2.567 12.770 1.00 0.00 H new ATOM 0 HB2 LYS A 92 -35.883 4.662 13.130 1.00 0.00 H new ATOM 0 HB3 LYS A 92 -37.368 5.419 13.670 1.00 0.00 H new ATOM 0 HG2 LYS A 92 -36.734 2.766 14.884 1.00 0.00 H new ATOM 0 HG3 LYS A 92 -35.647 4.077 15.299 1.00 0.00 H new ATOM 0 HD2 LYS A 92 -37.359 3.844 17.026 1.00 0.00 H new ATOM 0 HD3 LYS A 92 -37.557 5.385 16.215 1.00 0.00 H new ATOM 0 HE2 LYS A 92 -39.416 4.586 14.922 1.00 0.00 H new ATOM 0 HE3 LYS A 92 -39.094 2.918 15.351 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 -40.994 3.766 16.495 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 -39.764 3.397 17.606 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 -40.076 5.014 17.191 1.00 0.00 H new TER 1455 LYS A 92