USER MOD reduce.3.24.130724 H: found=0, std=0, add=728, rem=0, adj=29 USER MOD reduce.3.24.130724 removed 726 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 60 SER OG : rot -116:sc= 0.467 USER MOD Set 1.2: A 62 ASN : amide:sc= 0.42 K(o=0.89,f=-0.016) USER MOD Set 2.1: A 25 LYS NZ :NH3+ -157:sc= -0.262 (180deg=-1.03) USER MOD Set 2.2: A 82 ASN :FLIP amide:sc= -2.81! C(o=-5.3!,f=-3.1!) USER MOD Set 3.1: A 14 THR OG1 : rot 180:sc= 0 USER MOD Set 3.2: A 40 SER OG : rot 180:sc= 0 USER MOD Set 4.1: A 7 GLN : amide:sc= -0.991 K(o=-4.5,f=-6.7) USER MOD Set 4.2: A 10 GLN :FLIP amide:sc= -3.5! C(o=-6.8!,f=-4.5!) USER MOD Single : A 1 MET CE :methyl -125:sc= -0.0582 (180deg=-0.447) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.158 USER MOD Single : A 9 SER OG : rot -23:sc= 0.979 USER MOD Single : A 11 TYR OH : rot 180:sc= 0 USER MOD Single : A 12 ASN :FLIP amide:sc= -0.773! C(o=-1.7!,f=-0.77!) USER MOD Single : A 21 TYR OH : rot 180:sc= -0.0329 USER MOD Single : A 32 THR OG1 : rot 180:sc= 0 USER MOD Single : A 33 THR OG1 : rot 180:sc= 0 USER MOD Single : A 35 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 36 SER OG : rot 180:sc= 0 USER MOD Single : A 38 TYR OH : rot 173:sc= -5.52! USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 45 SER OG : rot 180:sc= 0 USER MOD Single : A 46 MET CE :methyl -141:sc= -2.62! (180deg=-6.93!) USER MOD Single : A 50 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 53 SER OG : rot 80:sc= 0.355 USER MOD Single : A 58 LYS NZ :NH3+ 167:sc= 0.0883 (180deg=-0.0965) USER MOD Single : A 59 MET CE :methyl -103:sc= -1.24 (180deg=-2.94!) USER MOD Single : A 61 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 67 SER OG : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= -1.65 USER MOD Single : A 74 THR OG1 : rot -126:sc= 0.474 USER MOD Single : A 76 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 79 ASN : amide:sc=-0.000204 X(o=-0.0002,f=-0.15) USER MOD Single : A 80 THR OG1 : rot 92:sc= 0.0233 USER MOD Single : A 86 THR OG1 : rot 180:sc= 0 USER MOD Single : A 87 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 91 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 92 TYR OH : rot 180:sc= 0 USER MOD Single : A 100 SER OG : rot 180:sc= -0.0524 USER MOD ----------------------------------------------------------------- ATOM 8 N PRO A 0 -9.051 -11.993 -7.812 1.00 0.00 N ATOM 9 CA PRO A 0 -9.552 -11.385 -6.591 1.00 0.00 C ATOM 10 C PRO A 0 -10.512 -10.236 -6.904 1.00 0.00 C ATOM 11 O PRO A 0 -11.052 -10.156 -8.006 1.00 0.00 O ATOM 12 CB PRO A 0 -8.311 -10.934 -5.839 1.00 0.00 C ATOM 13 CG PRO A 0 -7.194 -10.885 -6.869 1.00 0.00 C ATOM 14 CD PRO A 0 -7.670 -11.624 -8.108 1.00 0.00 C ATOM 0 H2 PRO A 0 -9.646 -11.716 -8.593 1.00 0.00 H new ATOM 0 H3 PRO A 0 -9.117 -13.008 -7.732 1.00 0.00 H new ATOM 0 HA PRO A 0 -10.139 -12.077 -5.987 1.00 0.00 H new ATOM 0 HB2 PRO A 0 -8.465 -9.956 -5.383 1.00 0.00 H new ATOM 0 HB3 PRO A 0 -8.069 -11.627 -5.033 1.00 0.00 H new ATOM 0 HG2 PRO A 0 -6.945 -9.852 -7.113 1.00 0.00 H new ATOM 0 HG3 PRO A 0 -6.289 -11.347 -6.473 1.00 0.00 H new ATOM 0 HD2 PRO A 0 -7.610 -10.991 -8.994 1.00 0.00 H new ATOM 0 HD3 PRO A 0 -7.058 -12.505 -8.303 1.00 0.00 H new ATOM 22 N MET A 1 -10.695 -9.373 -5.915 1.00 0.00 N ATOM 23 CA MET A 1 -11.580 -8.232 -6.071 1.00 0.00 C ATOM 24 C MET A 1 -10.961 -7.180 -6.994 1.00 0.00 C ATOM 25 O MET A 1 -11.674 -6.497 -7.728 1.00 0.00 O ATOM 26 CB MET A 1 -11.857 -7.609 -4.701 1.00 0.00 C ATOM 27 CG MET A 1 -12.587 -8.596 -3.788 1.00 0.00 C ATOM 28 SD MET A 1 -13.427 -7.713 -2.483 1.00 0.00 S ATOM 29 CE MET A 1 -14.813 -7.056 -3.396 1.00 0.00 C ATOM 0 H MET A 1 -10.245 -9.442 -5.002 1.00 0.00 H new ATOM 0 HA MET A 1 -12.512 -8.578 -6.518 1.00 0.00 H new ATOM 0 HB2 MET A 1 -10.918 -7.306 -4.238 1.00 0.00 H new ATOM 0 HB3 MET A 1 -12.458 -6.707 -4.822 1.00 0.00 H new ATOM 0 HG2 MET A 1 -13.306 -9.176 -4.367 1.00 0.00 H new ATOM 0 HG3 MET A 1 -11.876 -9.303 -3.361 1.00 0.00 H new ATOM 0 HE1 MET A 1 -14.850 -5.974 -3.272 1.00 0.00 H new ATOM 0 HE2 MET A 1 -14.699 -7.296 -4.453 1.00 0.00 H new ATOM 0 HE3 MET A 1 -15.737 -7.496 -3.021 1.00 0.00 H new ATOM 39 N GLU A 2 -9.641 -7.084 -6.928 1.00 0.00 N ATOM 40 CA GLU A 2 -8.919 -6.128 -7.749 1.00 0.00 C ATOM 41 C GLU A 2 -9.507 -4.726 -7.574 1.00 0.00 C ATOM 42 O GLU A 2 -10.587 -4.434 -8.084 1.00 0.00 O ATOM 43 CB GLU A 2 -8.932 -6.547 -9.220 1.00 0.00 C ATOM 44 CG GLU A 2 -8.982 -8.071 -9.355 1.00 0.00 C ATOM 45 CD GLU A 2 -8.827 -8.497 -10.817 1.00 0.00 C ATOM 46 OE1 GLU A 2 -9.382 -7.781 -11.678 1.00 0.00 O ATOM 47 OE2 GLU A 2 -8.157 -9.528 -11.039 1.00 0.00 O ATOM 0 H GLU A 2 -9.053 -7.653 -6.319 1.00 0.00 H new ATOM 0 HA GLU A 2 -7.880 -6.109 -7.420 1.00 0.00 H new ATOM 0 HB2 GLU A 2 -9.794 -6.105 -9.720 1.00 0.00 H new ATOM 0 HB3 GLU A 2 -8.042 -6.163 -9.719 1.00 0.00 H new ATOM 0 HG2 GLU A 2 -8.189 -8.519 -8.756 1.00 0.00 H new ATOM 0 HG3 GLU A 2 -9.928 -8.444 -8.962 1.00 0.00 H new ATOM 54 N PHE A 3 -8.770 -3.896 -6.850 1.00 0.00 N ATOM 55 CA PHE A 3 -9.206 -2.532 -6.601 1.00 0.00 C ATOM 56 C PHE A 3 -8.359 -1.533 -7.392 1.00 0.00 C ATOM 57 O PHE A 3 -7.131 -1.601 -7.370 1.00 0.00 O ATOM 58 CB PHE A 3 -9.019 -2.270 -5.105 1.00 0.00 C ATOM 59 CG PHE A 3 -10.069 -2.942 -4.219 1.00 0.00 C ATOM 60 CD1 PHE A 3 -9.892 -4.228 -3.811 1.00 0.00 C ATOM 61 CD2 PHE A 3 -11.180 -2.255 -3.840 1.00 0.00 C ATOM 62 CE1 PHE A 3 -10.867 -4.852 -2.988 1.00 0.00 C ATOM 63 CE2 PHE A 3 -12.154 -2.880 -3.017 1.00 0.00 C ATOM 64 CZ PHE A 3 -11.978 -4.165 -2.609 1.00 0.00 C ATOM 0 H PHE A 3 -7.874 -4.142 -6.428 1.00 0.00 H new ATOM 0 HA PHE A 3 -10.244 -2.410 -6.909 1.00 0.00 H new ATOM 0 HB2 PHE A 3 -8.030 -2.618 -4.807 1.00 0.00 H new ATOM 0 HB3 PHE A 3 -9.045 -1.195 -4.929 1.00 0.00 H new ATOM 0 HD1 PHE A 3 -9.010 -4.774 -4.113 1.00 0.00 H new ATOM 0 HD2 PHE A 3 -11.321 -1.235 -4.165 1.00 0.00 H new ATOM 0 HE1 PHE A 3 -10.726 -5.872 -2.663 1.00 0.00 H new ATOM 0 HE2 PHE A 3 -13.035 -2.334 -2.715 1.00 0.00 H new ATOM 0 HZ PHE A 3 -12.720 -4.640 -1.984 1.00 0.00 H new ATOM 74 N THR A 4 -9.049 -0.629 -8.071 1.00 0.00 N ATOM 75 CA THR A 4 -8.375 0.383 -8.867 1.00 0.00 C ATOM 76 C THR A 4 -7.774 1.460 -7.963 1.00 0.00 C ATOM 77 O THR A 4 -8.243 1.671 -6.845 1.00 0.00 O ATOM 78 CB THR A 4 -9.380 0.933 -9.881 1.00 0.00 C ATOM 79 OG1 THR A 4 -10.428 1.468 -9.077 1.00 0.00 O ATOM 80 CG2 THR A 4 -10.060 -0.174 -10.690 1.00 0.00 C ATOM 0 H THR A 4 -10.067 -0.576 -8.087 1.00 0.00 H new ATOM 0 HA THR A 4 -7.535 -0.041 -9.417 1.00 0.00 H new ATOM 0 HB THR A 4 -8.873 1.620 -10.559 1.00 0.00 H new ATOM 0 HG1 THR A 4 -11.122 1.848 -9.655 1.00 0.00 H new ATOM 0 HG21 THR A 4 -10.763 0.270 -11.395 1.00 0.00 H new ATOM 0 HG22 THR A 4 -9.306 -0.740 -11.237 1.00 0.00 H new ATOM 0 HG23 THR A 4 -10.595 -0.842 -10.015 1.00 0.00 H new ATOM 88 N ALA A 5 -6.744 2.114 -8.480 1.00 0.00 N ATOM 89 CA ALA A 5 -6.073 3.165 -7.733 1.00 0.00 C ATOM 90 C ALA A 5 -7.107 4.188 -7.259 1.00 0.00 C ATOM 91 O ALA A 5 -6.944 4.798 -6.204 1.00 0.00 O ATOM 92 CB ALA A 5 -4.985 3.796 -8.604 1.00 0.00 C ATOM 0 H ALA A 5 -6.358 1.937 -9.407 1.00 0.00 H new ATOM 0 HA ALA A 5 -5.585 2.755 -6.848 1.00 0.00 H new ATOM 0 HB1 ALA A 5 -4.482 4.584 -8.044 1.00 0.00 H new ATOM 0 HB2 ALA A 5 -4.260 3.034 -8.889 1.00 0.00 H new ATOM 0 HB3 ALA A 5 -5.437 4.220 -9.501 1.00 0.00 H new ATOM 98 N GLU A 6 -8.149 4.344 -8.063 1.00 0.00 N ATOM 99 CA GLU A 6 -9.210 5.283 -7.739 1.00 0.00 C ATOM 100 C GLU A 6 -10.043 4.759 -6.568 1.00 0.00 C ATOM 101 O GLU A 6 -10.335 5.498 -5.630 1.00 0.00 O ATOM 102 CB GLU A 6 -10.091 5.557 -8.960 1.00 0.00 C ATOM 103 CG GLU A 6 -9.434 6.576 -9.893 1.00 0.00 C ATOM 104 CD GLU A 6 -10.296 6.820 -11.133 1.00 0.00 C ATOM 105 OE1 GLU A 6 -11.199 7.678 -11.036 1.00 0.00 O ATOM 106 OE2 GLU A 6 -10.032 6.143 -12.150 1.00 0.00 O ATOM 0 H GLU A 6 -8.281 3.836 -8.938 1.00 0.00 H new ATOM 0 HA GLU A 6 -8.755 6.228 -7.441 1.00 0.00 H new ATOM 0 HB2 GLU A 6 -10.270 4.627 -9.500 1.00 0.00 H new ATOM 0 HB3 GLU A 6 -11.063 5.929 -8.636 1.00 0.00 H new ATOM 0 HG2 GLU A 6 -9.281 7.515 -9.362 1.00 0.00 H new ATOM 0 HG3 GLU A 6 -8.450 6.217 -10.195 1.00 0.00 H new ATOM 113 N GLN A 7 -10.403 3.487 -6.662 1.00 0.00 N ATOM 114 CA GLN A 7 -11.197 2.856 -5.622 1.00 0.00 C ATOM 115 C GLN A 7 -10.344 2.613 -4.375 1.00 0.00 C ATOM 116 O GLN A 7 -10.826 2.750 -3.252 1.00 0.00 O ATOM 117 CB GLN A 7 -11.819 1.550 -6.123 1.00 0.00 C ATOM 118 CG GLN A 7 -12.857 1.821 -7.214 1.00 0.00 C ATOM 119 CD GLN A 7 -14.207 2.203 -6.604 1.00 0.00 C ATOM 120 OE1 GLN A 7 -14.648 1.649 -5.611 1.00 0.00 O ATOM 121 NE2 GLN A 7 -14.836 3.179 -7.252 1.00 0.00 N ATOM 0 H GLN A 7 -10.159 2.877 -7.442 1.00 0.00 H new ATOM 0 HA GLN A 7 -12.011 3.530 -5.356 1.00 0.00 H new ATOM 0 HB2 GLN A 7 -11.038 0.897 -6.513 1.00 0.00 H new ATOM 0 HB3 GLN A 7 -12.289 1.024 -5.292 1.00 0.00 H new ATOM 0 HG2 GLN A 7 -12.507 2.624 -7.863 1.00 0.00 H new ATOM 0 HG3 GLN A 7 -12.974 0.935 -7.838 1.00 0.00 H new ATOM 0 HE21 GLN A 7 -14.410 3.600 -8.078 1.00 0.00 H new ATOM 0 HE22 GLN A 7 -15.744 3.507 -6.923 1.00 0.00 H new ATOM 130 N LEU A 8 -9.090 2.258 -4.616 1.00 0.00 N ATOM 131 CA LEU A 8 -8.165 1.995 -3.527 1.00 0.00 C ATOM 132 C LEU A 8 -7.911 3.292 -2.754 1.00 0.00 C ATOM 133 O LEU A 8 -7.651 3.262 -1.553 1.00 0.00 O ATOM 134 CB LEU A 8 -6.889 1.335 -4.055 1.00 0.00 C ATOM 135 CG LEU A 8 -5.659 1.435 -3.151 1.00 0.00 C ATOM 136 CD1 LEU A 8 -5.534 0.202 -2.255 1.00 0.00 C ATOM 137 CD2 LEU A 8 -4.392 1.675 -3.975 1.00 0.00 C ATOM 0 H LEU A 8 -8.693 2.147 -5.549 1.00 0.00 H new ATOM 0 HA LEU A 8 -8.598 1.283 -2.824 1.00 0.00 H new ATOM 0 HB2 LEU A 8 -7.097 0.281 -4.236 1.00 0.00 H new ATOM 0 HB3 LEU A 8 -6.644 1.782 -5.019 1.00 0.00 H new ATOM 0 HG LEU A 8 -5.786 2.297 -2.496 1.00 0.00 H new ATOM 0 HD11 LEU A 8 -4.651 0.300 -1.623 1.00 0.00 H new ATOM 0 HD12 LEU A 8 -6.422 0.116 -1.628 1.00 0.00 H new ATOM 0 HD13 LEU A 8 -5.440 -0.690 -2.874 1.00 0.00 H new ATOM 0 HD21 LEU A 8 -3.532 1.742 -3.309 1.00 0.00 H new ATOM 0 HD22 LEU A 8 -4.248 0.848 -4.671 1.00 0.00 H new ATOM 0 HD23 LEU A 8 -4.492 2.606 -4.533 1.00 0.00 H new ATOM 149 N SER A 9 -7.997 4.399 -3.477 1.00 0.00 N ATOM 150 CA SER A 9 -7.780 5.704 -2.874 1.00 0.00 C ATOM 151 C SER A 9 -9.011 6.118 -2.066 1.00 0.00 C ATOM 152 O SER A 9 -9.065 7.226 -1.535 1.00 0.00 O ATOM 153 CB SER A 9 -7.465 6.756 -3.939 1.00 0.00 C ATOM 154 OG SER A 9 -8.564 6.968 -4.821 1.00 0.00 O ATOM 0 H SER A 9 -8.214 4.420 -4.474 1.00 0.00 H new ATOM 0 HA SER A 9 -6.922 5.634 -2.206 1.00 0.00 H new ATOM 0 HB2 SER A 9 -7.203 7.696 -3.454 1.00 0.00 H new ATOM 0 HB3 SER A 9 -6.594 6.441 -4.514 1.00 0.00 H new ATOM 0 HG SER A 9 -9.144 6.178 -4.817 1.00 0.00 H new ATOM 160 N GLN A 10 -9.970 5.205 -1.998 1.00 0.00 N ATOM 161 CA GLN A 10 -11.197 5.462 -1.264 1.00 0.00 C ATOM 162 C GLN A 10 -11.135 4.808 0.118 1.00 0.00 C ATOM 163 O GLN A 10 -12.153 4.688 0.798 1.00 0.00 O ATOM 164 CB GLN A 10 -12.417 4.974 -2.047 1.00 0.00 C ATOM 165 CG GLN A 10 -12.269 5.280 -3.539 1.00 0.00 C ATOM 166 CD GLN A 10 -13.552 4.936 -4.299 1.00 0.00 C ATOM 167 OE1 GLN A 10 -13.939 3.671 -4.163 1.00 0.00 O flip ATOM 168 NE2 GLN A 10 -14.150 5.765 -4.965 1.00 0.00 N flip ATOM 0 H GLN A 10 -9.921 4.287 -2.439 1.00 0.00 H new ATOM 0 HA GLN A 10 -11.299 6.539 -1.131 1.00 0.00 H new ATOM 0 HB2 GLN A 10 -12.541 3.901 -1.903 1.00 0.00 H new ATOM 0 HB3 GLN A 10 -13.317 5.453 -1.661 1.00 0.00 H new ATOM 0 HG2 GLN A 10 -12.033 6.335 -3.676 1.00 0.00 H new ATOM 0 HG3 GLN A 10 -11.435 4.711 -3.950 1.00 0.00 H new ATOM 0 HE21 GLN A 10 -13.797 6.720 -5.027 1.00 0.00 H new ATOM 0 HE22 GLN A 10 -15.002 5.503 -5.460 1.00 0.00 H new ATOM 177 N TYR A 11 -9.930 4.402 0.492 1.00 0.00 N ATOM 178 CA TYR A 11 -9.722 3.764 1.780 1.00 0.00 C ATOM 179 C TYR A 11 -8.428 4.253 2.432 1.00 0.00 C ATOM 180 O TYR A 11 -7.678 3.462 3.002 1.00 0.00 O ATOM 181 CB TYR A 11 -9.600 2.266 1.494 1.00 0.00 C ATOM 182 CG TYR A 11 -10.696 1.716 0.579 1.00 0.00 C ATOM 183 CD1 TYR A 11 -11.967 1.505 1.074 1.00 0.00 C ATOM 184 CD2 TYR A 11 -10.414 1.431 -0.742 1.00 0.00 C ATOM 185 CE1 TYR A 11 -12.999 0.987 0.213 1.00 0.00 C ATOM 186 CE2 TYR A 11 -11.446 0.913 -1.603 1.00 0.00 C ATOM 187 CZ TYR A 11 -12.687 0.717 -1.083 1.00 0.00 C ATOM 188 OH TYR A 11 -13.662 0.229 -1.897 1.00 0.00 O ATOM 0 H TYR A 11 -9.088 4.503 -0.075 1.00 0.00 H new ATOM 0 HA TYR A 11 -10.543 3.995 2.459 1.00 0.00 H new ATOM 0 HB2 TYR A 11 -8.629 2.071 1.038 1.00 0.00 H new ATOM 0 HB3 TYR A 11 -9.623 1.723 2.439 1.00 0.00 H new ATOM 0 HD1 TYR A 11 -12.188 1.728 2.107 1.00 0.00 H new ATOM 0 HD2 TYR A 11 -9.420 1.596 -1.130 1.00 0.00 H new ATOM 0 HE1 TYR A 11 -13.997 0.817 0.588 1.00 0.00 H new ATOM 0 HE2 TYR A 11 -11.239 0.685 -2.638 1.00 0.00 H new ATOM 0 HH TYR A 11 -13.296 0.084 -2.795 1.00 0.00 H new ATOM 198 N ASN A 12 -8.205 5.555 2.327 1.00 0.00 N ATOM 199 CA ASN A 12 -7.015 6.159 2.900 1.00 0.00 C ATOM 200 C ASN A 12 -7.306 6.586 4.340 1.00 0.00 C ATOM 201 O ASN A 12 -6.563 7.377 4.919 1.00 0.00 O ATOM 202 CB ASN A 12 -6.596 7.403 2.114 1.00 0.00 C ATOM 203 CG ASN A 12 -7.155 8.673 2.759 1.00 0.00 C ATOM 204 OD1 ASN A 12 -8.483 8.719 2.800 1.00 0.00 O flip ATOM 205 ND2 ASN A 12 -6.428 9.553 3.190 1.00 0.00 N flip ATOM 0 H ASN A 12 -8.829 6.208 1.853 1.00 0.00 H new ATOM 0 HA ASN A 12 -6.213 5.422 2.864 1.00 0.00 H new ATOM 0 HB2 ASN A 12 -5.508 7.461 2.071 1.00 0.00 H new ATOM 0 HB3 ASN A 12 -6.952 7.326 1.087 1.00 0.00 H new ATOM 0 HD21 ASN A 12 -5.415 9.454 3.127 1.00 0.00 H new ATOM 0 HD22 ASN A 12 -6.833 10.388 3.614 1.00 0.00 H new ATOM 212 N GLY A 13 -8.389 6.043 4.876 1.00 0.00 N ATOM 213 CA GLY A 13 -8.788 6.358 6.238 1.00 0.00 C ATOM 214 C GLY A 13 -9.363 7.773 6.327 1.00 0.00 C ATOM 215 O GLY A 13 -8.619 8.752 6.314 1.00 0.00 O ATOM 0 H GLY A 13 -9.003 5.387 4.392 1.00 0.00 H new ATOM 0 HA2 GLY A 13 -9.531 5.637 6.579 1.00 0.00 H new ATOM 0 HA3 GLY A 13 -7.929 6.268 6.903 1.00 0.00 H new ATOM 219 N THR A 14 -10.684 7.836 6.417 1.00 0.00 N ATOM 220 CA THR A 14 -11.368 9.115 6.508 1.00 0.00 C ATOM 221 C THR A 14 -12.884 8.911 6.488 1.00 0.00 C ATOM 222 O THR A 14 -13.621 9.644 7.147 1.00 0.00 O ATOM 223 CB THR A 14 -10.859 10.005 5.373 1.00 0.00 C ATOM 224 OG1 THR A 14 -10.491 11.219 6.023 1.00 0.00 O ATOM 225 CG2 THR A 14 -11.973 10.421 4.411 1.00 0.00 C ATOM 0 H THR A 14 -11.298 7.022 6.429 1.00 0.00 H new ATOM 0 HA THR A 14 -11.151 9.614 7.453 1.00 0.00 H new ATOM 0 HB THR A 14 -10.080 9.479 4.821 1.00 0.00 H new ATOM 0 HG1 THR A 14 -10.148 11.854 5.360 1.00 0.00 H new ATOM 0 HG21 THR A 14 -11.558 11.051 3.625 1.00 0.00 H new ATOM 0 HG22 THR A 14 -12.420 9.532 3.966 1.00 0.00 H new ATOM 0 HG23 THR A 14 -12.736 10.976 4.956 1.00 0.00 H new ATOM 293 N PRO A 19 -13.235 0.891 4.453 1.00 0.00 N ATOM 294 CA PRO A 19 -12.101 0.368 5.196 1.00 0.00 C ATOM 295 C PRO A 19 -10.802 1.057 4.772 1.00 0.00 C ATOM 296 O PRO A 19 -10.833 2.122 4.157 1.00 0.00 O ATOM 297 CB PRO A 19 -12.100 -1.126 4.914 1.00 0.00 C ATOM 298 CG PRO A 19 -12.944 -1.314 3.663 1.00 0.00 C ATOM 299 CD PRO A 19 -13.711 -0.024 3.420 1.00 0.00 C ATOM 0 HA PRO A 19 -12.177 0.558 6.267 1.00 0.00 H new ATOM 0 HB2 PRO A 19 -11.086 -1.494 4.760 1.00 0.00 H new ATOM 0 HB3 PRO A 19 -12.517 -1.682 5.754 1.00 0.00 H new ATOM 0 HG2 PRO A 19 -12.311 -1.549 2.807 1.00 0.00 H new ATOM 0 HG3 PRO A 19 -13.633 -2.150 3.789 1.00 0.00 H new ATOM 0 HD2 PRO A 19 -13.517 0.370 2.422 1.00 0.00 H new ATOM 0 HD3 PRO A 19 -14.787 -0.183 3.497 1.00 0.00 H new ATOM 307 N ILE A 20 -9.692 0.421 5.116 1.00 0.00 N ATOM 308 CA ILE A 20 -8.386 0.959 4.778 1.00 0.00 C ATOM 309 C ILE A 20 -7.601 -0.083 3.979 1.00 0.00 C ATOM 310 O ILE A 20 -7.318 -1.171 4.479 1.00 0.00 O ATOM 311 CB ILE A 20 -7.662 1.440 6.038 1.00 0.00 C ATOM 312 CG1 ILE A 20 -8.530 2.422 6.827 1.00 0.00 C ATOM 313 CG2 ILE A 20 -6.295 2.034 5.692 1.00 0.00 C ATOM 314 CD1 ILE A 20 -9.034 1.788 8.125 1.00 0.00 C ATOM 0 H ILE A 20 -9.670 -0.462 5.626 1.00 0.00 H new ATOM 0 HA ILE A 20 -8.490 1.838 4.142 1.00 0.00 H new ATOM 0 HB ILE A 20 -7.485 0.578 6.681 1.00 0.00 H new ATOM 0 HG12 ILE A 20 -7.954 3.319 7.056 1.00 0.00 H new ATOM 0 HG13 ILE A 20 -9.378 2.734 6.217 1.00 0.00 H new ATOM 0 HG21 ILE A 20 -5.802 2.368 6.605 1.00 0.00 H new ATOM 0 HG22 ILE A 20 -5.682 1.276 5.205 1.00 0.00 H new ATOM 0 HG23 ILE A 20 -6.426 2.882 5.020 1.00 0.00 H new ATOM 0 HD11 ILE A 20 -9.648 2.507 8.667 1.00 0.00 H new ATOM 0 HD12 ILE A 20 -9.629 0.905 7.892 1.00 0.00 H new ATOM 0 HD13 ILE A 20 -8.184 1.499 8.743 1.00 0.00 H new ATOM 326 N TYR A 21 -7.271 0.286 2.750 1.00 0.00 N ATOM 327 CA TYR A 21 -6.524 -0.603 1.876 1.00 0.00 C ATOM 328 C TYR A 21 -5.250 0.073 1.365 1.00 0.00 C ATOM 329 O TYR A 21 -5.268 1.249 1.007 1.00 0.00 O ATOM 330 CB TYR A 21 -7.443 -0.897 0.688 1.00 0.00 C ATOM 331 CG TYR A 21 -8.698 -1.693 1.054 1.00 0.00 C ATOM 332 CD1 TYR A 21 -8.729 -2.436 2.216 1.00 0.00 C ATOM 333 CD2 TYR A 21 -9.798 -1.667 0.222 1.00 0.00 C ATOM 334 CE1 TYR A 21 -9.909 -3.185 2.561 1.00 0.00 C ATOM 335 CE2 TYR A 21 -10.979 -2.416 0.566 1.00 0.00 C ATOM 336 CZ TYR A 21 -10.976 -3.138 1.719 1.00 0.00 C ATOM 337 OH TYR A 21 -12.091 -3.845 2.044 1.00 0.00 O ATOM 0 H TYR A 21 -7.507 1.189 2.339 1.00 0.00 H new ATOM 0 HA TYR A 21 -6.228 -1.506 2.410 1.00 0.00 H new ATOM 0 HB2 TYR A 21 -7.744 0.046 0.232 1.00 0.00 H new ATOM 0 HB3 TYR A 21 -6.881 -1.450 -0.065 1.00 0.00 H new ATOM 0 HD1 TYR A 21 -7.868 -2.456 2.867 1.00 0.00 H new ATOM 0 HD2 TYR A 21 -9.774 -1.085 -0.687 1.00 0.00 H new ATOM 0 HE1 TYR A 21 -9.946 -3.771 3.468 1.00 0.00 H new ATOM 0 HE2 TYR A 21 -11.847 -2.405 -0.077 1.00 0.00 H new ATOM 0 HH TYR A 21 -12.773 -3.717 1.352 1.00 0.00 H new ATOM 347 N VAL A 22 -4.175 -0.701 1.348 1.00 0.00 N ATOM 348 CA VAL A 22 -2.894 -0.192 0.887 1.00 0.00 C ATOM 349 C VAL A 22 -2.461 -0.966 -0.360 1.00 0.00 C ATOM 350 O VAL A 22 -2.798 -2.139 -0.514 1.00 0.00 O ATOM 351 CB VAL A 22 -1.867 -0.257 2.018 1.00 0.00 C ATOM 352 CG1 VAL A 22 -0.645 0.608 1.701 1.00 0.00 C ATOM 353 CG2 VAL A 22 -2.494 0.149 3.353 1.00 0.00 C ATOM 0 H VAL A 22 -4.164 -1.676 1.646 1.00 0.00 H new ATOM 0 HA VAL A 22 -2.980 0.857 0.604 1.00 0.00 H new ATOM 0 HB VAL A 22 -1.532 -1.291 2.106 1.00 0.00 H new ATOM 0 HG11 VAL A 22 0.069 0.543 2.522 1.00 0.00 H new ATOM 0 HG12 VAL A 22 -0.176 0.253 0.783 1.00 0.00 H new ATOM 0 HG13 VAL A 22 -0.957 1.645 1.572 1.00 0.00 H new ATOM 0 HG21 VAL A 22 -1.742 0.094 4.140 1.00 0.00 H new ATOM 0 HG22 VAL A 22 -2.871 1.169 3.282 1.00 0.00 H new ATOM 0 HG23 VAL A 22 -3.316 -0.526 3.589 1.00 0.00 H new ATOM 363 N ALA A 23 -1.720 -0.279 -1.217 1.00 0.00 N ATOM 364 CA ALA A 23 -1.238 -0.888 -2.445 1.00 0.00 C ATOM 365 C ALA A 23 0.270 -1.125 -2.333 1.00 0.00 C ATOM 366 O ALA A 23 1.014 -0.232 -1.931 1.00 0.00 O ATOM 367 CB ALA A 23 -1.601 0.003 -3.634 1.00 0.00 C ATOM 0 H ALA A 23 -1.442 0.693 -1.085 1.00 0.00 H new ATOM 0 HA ALA A 23 -1.713 -1.856 -2.606 1.00 0.00 H new ATOM 0 HB1 ALA A 23 -1.239 -0.454 -4.555 1.00 0.00 H new ATOM 0 HB2 ALA A 23 -2.684 0.117 -3.686 1.00 0.00 H new ATOM 0 HB3 ALA A 23 -1.139 0.982 -3.509 1.00 0.00 H new ATOM 373 N ILE A 24 0.675 -2.333 -2.696 1.00 0.00 N ATOM 374 CA ILE A 24 2.080 -2.699 -2.641 1.00 0.00 C ATOM 375 C ILE A 24 2.420 -3.581 -3.844 1.00 0.00 C ATOM 376 O ILE A 24 1.951 -4.714 -3.940 1.00 0.00 O ATOM 377 CB ILE A 24 2.415 -3.341 -1.294 1.00 0.00 C ATOM 378 CG1 ILE A 24 2.633 -2.276 -0.217 1.00 0.00 C ATOM 379 CG2 ILE A 24 3.613 -4.284 -1.418 1.00 0.00 C ATOM 380 CD1 ILE A 24 3.223 -2.892 1.053 1.00 0.00 C ATOM 0 H ILE A 24 0.055 -3.071 -3.029 1.00 0.00 H new ATOM 0 HA ILE A 24 2.708 -1.810 -2.709 1.00 0.00 H new ATOM 0 HB ILE A 24 1.562 -3.944 -0.982 1.00 0.00 H new ATOM 0 HG12 ILE A 24 3.302 -1.503 -0.595 1.00 0.00 H new ATOM 0 HG13 ILE A 24 1.685 -1.791 0.016 1.00 0.00 H new ATOM 0 HG21 ILE A 24 3.830 -4.727 -0.446 1.00 0.00 H new ATOM 0 HG22 ILE A 24 3.382 -5.074 -2.133 1.00 0.00 H new ATOM 0 HG23 ILE A 24 4.482 -3.724 -1.764 1.00 0.00 H new ATOM 0 HD11 ILE A 24 3.368 -2.113 1.802 1.00 0.00 H new ATOM 0 HD12 ILE A 24 2.540 -3.647 1.442 1.00 0.00 H new ATOM 0 HD13 ILE A 24 4.182 -3.355 0.821 1.00 0.00 H new ATOM 392 N LYS A 25 3.234 -3.028 -4.732 1.00 0.00 N ATOM 393 CA LYS A 25 3.642 -3.750 -5.925 1.00 0.00 C ATOM 394 C LYS A 25 2.428 -3.952 -6.834 1.00 0.00 C ATOM 395 O LYS A 25 2.478 -4.743 -7.775 1.00 0.00 O ATOM 396 CB LYS A 25 4.351 -5.052 -5.546 1.00 0.00 C ATOM 397 CG LYS A 25 5.689 -4.769 -4.861 1.00 0.00 C ATOM 398 CD LYS A 25 6.730 -4.283 -5.871 1.00 0.00 C ATOM 399 CE LYS A 25 7.191 -5.426 -6.777 1.00 0.00 C ATOM 400 NZ LYS A 25 7.631 -6.585 -5.968 1.00 0.00 N ATOM 0 H LYS A 25 3.622 -2.088 -4.649 1.00 0.00 H new ATOM 0 HA LYS A 25 4.371 -3.170 -6.491 1.00 0.00 H new ATOM 0 HB2 LYS A 25 3.715 -5.636 -4.881 1.00 0.00 H new ATOM 0 HB3 LYS A 25 4.516 -5.654 -6.440 1.00 0.00 H new ATOM 0 HG2 LYS A 25 5.552 -4.017 -4.084 1.00 0.00 H new ATOM 0 HG3 LYS A 25 6.048 -5.673 -4.369 1.00 0.00 H new ATOM 0 HD2 LYS A 25 6.307 -3.482 -6.477 1.00 0.00 H new ATOM 0 HD3 LYS A 25 7.587 -3.865 -5.343 1.00 0.00 H new ATOM 0 HE2 LYS A 25 6.377 -5.725 -7.438 1.00 0.00 H new ATOM 0 HE3 LYS A 25 8.009 -5.087 -7.412 1.00 0.00 H new ATOM 0 HZ1 LYS A 25 8.281 -7.173 -6.528 1.00 0.00 H new ATOM 0 HZ2 LYS A 25 8.119 -6.247 -5.114 1.00 0.00 H new ATOM 0 HZ3 LYS A 25 6.803 -7.151 -5.693 1.00 0.00 H new ATOM 414 N GLY A 26 1.367 -3.224 -6.521 1.00 0.00 N ATOM 415 CA GLY A 26 0.142 -3.313 -7.298 1.00 0.00 C ATOM 416 C GLY A 26 -0.867 -4.246 -6.625 1.00 0.00 C ATOM 417 O GLY A 26 -1.828 -4.684 -7.255 1.00 0.00 O ATOM 0 H GLY A 26 1.330 -2.569 -5.740 1.00 0.00 H new ATOM 0 HA2 GLY A 26 -0.294 -2.320 -7.411 1.00 0.00 H new ATOM 0 HA3 GLY A 26 0.368 -3.678 -8.300 1.00 0.00 H new ATOM 421 N ARG A 27 -0.613 -4.523 -5.355 1.00 0.00 N ATOM 422 CA ARG A 27 -1.487 -5.397 -4.590 1.00 0.00 C ATOM 423 C ARG A 27 -2.138 -4.623 -3.442 1.00 0.00 C ATOM 424 O ARG A 27 -1.451 -3.961 -2.666 1.00 0.00 O ATOM 425 CB ARG A 27 -0.714 -6.587 -4.019 1.00 0.00 C ATOM 426 CG ARG A 27 -1.523 -7.879 -4.149 1.00 0.00 C ATOM 427 CD ARG A 27 -1.097 -8.902 -3.094 1.00 0.00 C ATOM 428 NE ARG A 27 -0.767 -10.191 -3.742 1.00 0.00 N ATOM 429 CZ ARG A 27 -0.567 -11.336 -3.076 1.00 0.00 C ATOM 430 NH1 ARG A 27 -0.661 -11.361 -1.740 1.00 0.00 N ATOM 431 NH2 ARG A 27 -0.272 -12.458 -3.748 1.00 0.00 N ATOM 0 H ARG A 27 0.186 -4.158 -4.836 1.00 0.00 H new ATOM 0 HA ARG A 27 -2.257 -5.769 -5.266 1.00 0.00 H new ATOM 0 HB2 ARG A 27 0.236 -6.694 -4.543 1.00 0.00 H new ATOM 0 HB3 ARG A 27 -0.480 -6.404 -2.970 1.00 0.00 H new ATOM 0 HG2 ARG A 27 -2.585 -7.660 -4.040 1.00 0.00 H new ATOM 0 HG3 ARG A 27 -1.385 -8.300 -5.145 1.00 0.00 H new ATOM 0 HD2 ARG A 27 -0.233 -8.531 -2.544 1.00 0.00 H new ATOM 0 HD3 ARG A 27 -1.899 -9.045 -2.369 1.00 0.00 H new ATOM 0 HE ARG A 27 -0.687 -10.209 -4.759 1.00 0.00 H new ATOM 0 HH11 ARG A 27 -0.885 -10.507 -1.228 1.00 0.00 H new ATOM 0 HH12 ARG A 27 -0.508 -12.234 -1.234 1.00 0.00 H new ATOM 0 HH21 ARG A 27 -0.200 -12.439 -4.765 1.00 0.00 H new ATOM 0 HH22 ARG A 27 -0.119 -13.330 -3.242 1.00 0.00 H new ATOM 445 N VAL A 28 -3.457 -4.731 -3.371 1.00 0.00 N ATOM 446 CA VAL A 28 -4.209 -4.049 -2.331 1.00 0.00 C ATOM 447 C VAL A 28 -4.166 -4.881 -1.048 1.00 0.00 C ATOM 448 O VAL A 28 -4.582 -6.039 -1.040 1.00 0.00 O ATOM 449 CB VAL A 28 -5.633 -3.768 -2.814 1.00 0.00 C ATOM 450 CG1 VAL A 28 -6.538 -3.364 -1.648 1.00 0.00 C ATOM 451 CG2 VAL A 28 -5.640 -2.700 -3.909 1.00 0.00 C ATOM 0 H VAL A 28 -4.024 -5.280 -4.017 1.00 0.00 H new ATOM 0 HA VAL A 28 -3.760 -3.082 -2.106 1.00 0.00 H new ATOM 0 HB VAL A 28 -6.029 -4.689 -3.242 1.00 0.00 H new ATOM 0 HG11 VAL A 28 -7.544 -3.170 -2.019 1.00 0.00 H new ATOM 0 HG12 VAL A 28 -6.570 -4.171 -0.916 1.00 0.00 H new ATOM 0 HG13 VAL A 28 -6.145 -2.463 -1.177 1.00 0.00 H new ATOM 0 HG21 VAL A 28 -6.664 -2.519 -4.234 1.00 0.00 H new ATOM 0 HG22 VAL A 28 -5.215 -1.775 -3.518 1.00 0.00 H new ATOM 0 HG23 VAL A 28 -5.045 -3.043 -4.756 1.00 0.00 H new ATOM 461 N PHE A 29 -3.658 -4.259 0.006 1.00 0.00 N ATOM 462 CA PHE A 29 -3.555 -4.928 1.292 1.00 0.00 C ATOM 463 C PHE A 29 -4.418 -4.229 2.344 1.00 0.00 C ATOM 464 O PHE A 29 -4.574 -3.009 2.314 1.00 0.00 O ATOM 465 CB PHE A 29 -2.088 -4.852 1.720 1.00 0.00 C ATOM 466 CG PHE A 29 -1.168 -5.810 0.960 1.00 0.00 C ATOM 467 CD1 PHE A 29 -1.257 -7.150 1.173 1.00 0.00 C ATOM 468 CD2 PHE A 29 -0.261 -5.321 0.072 1.00 0.00 C ATOM 469 CE1 PHE A 29 -0.402 -8.039 0.468 1.00 0.00 C ATOM 470 CE2 PHE A 29 0.593 -6.209 -0.632 1.00 0.00 C ATOM 471 CZ PHE A 29 0.504 -7.550 -0.420 1.00 0.00 C ATOM 0 H PHE A 29 -3.313 -3.299 -0.004 1.00 0.00 H new ATOM 0 HA PHE A 29 -3.900 -5.958 1.204 1.00 0.00 H new ATOM 0 HB2 PHE A 29 -1.731 -3.832 1.578 1.00 0.00 H new ATOM 0 HB3 PHE A 29 -2.019 -5.068 2.786 1.00 0.00 H new ATOM 0 HD1 PHE A 29 -1.977 -7.538 1.878 1.00 0.00 H new ATOM 0 HD2 PHE A 29 -0.191 -4.257 -0.097 1.00 0.00 H new ATOM 0 HE1 PHE A 29 -0.472 -9.103 0.637 1.00 0.00 H new ATOM 0 HE2 PHE A 29 1.314 -5.820 -1.336 1.00 0.00 H new ATOM 0 HZ PHE A 29 1.153 -8.226 -0.957 1.00 0.00 H new ATOM 481 N ASP A 30 -4.957 -5.032 3.250 1.00 0.00 N ATOM 482 CA ASP A 30 -5.800 -4.506 4.310 1.00 0.00 C ATOM 483 C ASP A 30 -4.941 -4.218 5.544 1.00 0.00 C ATOM 484 O ASP A 30 -4.157 -5.065 5.970 1.00 0.00 O ATOM 485 CB ASP A 30 -6.878 -5.515 4.710 1.00 0.00 C ATOM 486 CG ASP A 30 -8.213 -5.358 3.980 1.00 0.00 C ATOM 487 OD1 ASP A 30 -8.169 -4.963 2.795 1.00 0.00 O ATOM 488 OD2 ASP A 30 -9.248 -5.637 4.624 1.00 0.00 O ATOM 0 H ASP A 30 -4.826 -6.043 3.272 1.00 0.00 H new ATOM 0 HA ASP A 30 -6.276 -3.597 3.942 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -6.498 -6.521 4.529 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -7.055 -5.429 5.782 1.00 0.00 H new ATOM 493 N VAL A 31 -5.119 -3.020 6.082 1.00 0.00 N ATOM 494 CA VAL A 31 -4.370 -2.611 7.258 1.00 0.00 C ATOM 495 C VAL A 31 -5.330 -2.001 8.282 1.00 0.00 C ATOM 496 O VAL A 31 -4.897 -1.451 9.293 1.00 0.00 O ATOM 497 CB VAL A 31 -3.242 -1.658 6.855 1.00 0.00 C ATOM 498 CG1 VAL A 31 -2.376 -2.270 5.753 1.00 0.00 C ATOM 499 CG2 VAL A 31 -3.800 -0.300 6.424 1.00 0.00 C ATOM 0 H VAL A 31 -5.770 -2.320 5.726 1.00 0.00 H new ATOM 0 HA VAL A 31 -3.897 -3.473 7.728 1.00 0.00 H new ATOM 0 HB VAL A 31 -2.609 -1.498 7.728 1.00 0.00 H new ATOM 0 HG11 VAL A 31 -1.582 -1.573 5.485 1.00 0.00 H new ATOM 0 HG12 VAL A 31 -1.936 -3.201 6.111 1.00 0.00 H new ATOM 0 HG13 VAL A 31 -2.992 -2.473 4.877 1.00 0.00 H new ATOM 0 HG21 VAL A 31 -2.978 0.358 6.143 1.00 0.00 H new ATOM 0 HG22 VAL A 31 -4.466 -0.434 5.571 1.00 0.00 H new ATOM 0 HG23 VAL A 31 -4.354 0.144 7.251 1.00 0.00 H new ATOM 509 N THR A 32 -6.615 -2.120 7.984 1.00 0.00 N ATOM 510 CA THR A 32 -7.640 -1.588 8.866 1.00 0.00 C ATOM 511 C THR A 32 -7.429 -2.091 10.295 1.00 0.00 C ATOM 512 O THR A 32 -7.864 -1.454 11.252 1.00 0.00 O ATOM 513 CB THR A 32 -9.005 -1.963 8.285 1.00 0.00 C ATOM 514 OG1 THR A 32 -9.782 -2.316 9.426 1.00 0.00 O ATOM 515 CG2 THR A 32 -8.955 -3.248 7.456 1.00 0.00 C ATOM 0 H THR A 32 -6.970 -2.577 7.144 1.00 0.00 H new ATOM 0 HA THR A 32 -7.584 -0.501 8.927 1.00 0.00 H new ATOM 0 HB THR A 32 -9.373 -1.145 7.665 1.00 0.00 H new ATOM 0 HG1 THR A 32 -10.684 -2.572 9.141 1.00 0.00 H new ATOM 0 HG21 THR A 32 -9.949 -3.469 7.067 1.00 0.00 H new ATOM 0 HG22 THR A 32 -8.261 -3.118 6.626 1.00 0.00 H new ATOM 0 HG23 THR A 32 -8.619 -4.073 8.084 1.00 0.00 H new ATOM 523 N THR A 33 -6.759 -3.230 10.394 1.00 0.00 N ATOM 524 CA THR A 33 -6.484 -3.827 11.690 1.00 0.00 C ATOM 525 C THR A 33 -5.731 -2.839 12.583 1.00 0.00 C ATOM 526 O THR A 33 -5.549 -3.087 13.773 1.00 0.00 O ATOM 527 CB THR A 33 -5.726 -5.135 11.457 1.00 0.00 C ATOM 528 OG1 THR A 33 -4.441 -4.716 11.004 1.00 0.00 O ATOM 529 CG2 THR A 33 -6.291 -5.939 10.284 1.00 0.00 C ATOM 0 H THR A 33 -6.398 -3.755 9.597 1.00 0.00 H new ATOM 0 HA THR A 33 -7.406 -4.060 12.222 1.00 0.00 H new ATOM 0 HB THR A 33 -5.762 -5.741 12.362 1.00 0.00 H new ATOM 0 HG1 THR A 33 -3.883 -5.503 10.830 1.00 0.00 H new ATOM 0 HG21 THR A 33 -5.717 -6.857 10.162 1.00 0.00 H new ATOM 0 HG22 THR A 33 -7.334 -6.187 10.481 1.00 0.00 H new ATOM 0 HG23 THR A 33 -6.225 -5.346 9.372 1.00 0.00 H new ATOM 537 N GLY A 34 -5.314 -1.739 11.973 1.00 0.00 N ATOM 538 CA GLY A 34 -4.585 -0.712 12.698 1.00 0.00 C ATOM 539 C GLY A 34 -4.779 0.660 12.049 1.00 0.00 C ATOM 540 O GLY A 34 -3.815 1.398 11.848 1.00 0.00 O ATOM 0 H GLY A 34 -5.467 -1.537 10.985 1.00 0.00 H new ATOM 0 HA2 GLY A 34 -4.927 -0.680 13.733 1.00 0.00 H new ATOM 0 HA3 GLY A 34 -3.524 -0.961 12.720 1.00 0.00 H new ATOM 544 N LYS A 35 -6.032 0.960 11.739 1.00 0.00 N ATOM 545 CA LYS A 35 -6.365 2.230 11.117 1.00 0.00 C ATOM 546 C LYS A 35 -5.726 3.368 11.916 1.00 0.00 C ATOM 547 O LYS A 35 -5.496 4.453 11.384 1.00 0.00 O ATOM 548 CB LYS A 35 -7.880 2.367 10.956 1.00 0.00 C ATOM 549 CG LYS A 35 -8.490 3.125 12.137 1.00 0.00 C ATOM 550 CD LYS A 35 -9.995 3.323 11.943 1.00 0.00 C ATOM 551 CE LYS A 35 -10.516 4.464 12.819 1.00 0.00 C ATOM 552 NZ LYS A 35 -11.218 3.926 14.006 1.00 0.00 N ATOM 0 H LYS A 35 -6.828 0.345 11.907 1.00 0.00 H new ATOM 0 HA LYS A 35 -5.955 2.279 10.108 1.00 0.00 H new ATOM 0 HB2 LYS A 35 -8.105 2.892 10.027 1.00 0.00 H new ATOM 0 HB3 LYS A 35 -8.332 1.378 10.881 1.00 0.00 H new ATOM 0 HG2 LYS A 35 -8.308 2.575 13.060 1.00 0.00 H new ATOM 0 HG3 LYS A 35 -8.003 4.094 12.242 1.00 0.00 H new ATOM 0 HD2 LYS A 35 -10.205 3.539 10.895 1.00 0.00 H new ATOM 0 HD3 LYS A 35 -10.521 2.401 12.190 1.00 0.00 H new ATOM 0 HE2 LYS A 35 -9.686 5.096 13.135 1.00 0.00 H new ATOM 0 HE3 LYS A 35 -11.194 5.093 12.242 1.00 0.00 H new ATOM 0 HZ1 LYS A 35 -11.565 4.713 14.590 1.00 0.00 H new ATOM 0 HZ2 LYS A 35 -12.022 3.342 13.699 1.00 0.00 H new ATOM 0 HZ3 LYS A 35 -10.561 3.345 14.564 1.00 0.00 H new ATOM 566 N SER A 36 -5.456 3.081 13.181 1.00 0.00 N ATOM 567 CA SER A 36 -4.848 4.066 14.059 1.00 0.00 C ATOM 568 C SER A 36 -3.525 4.551 13.464 1.00 0.00 C ATOM 569 O SER A 36 -3.013 5.600 13.852 1.00 0.00 O ATOM 570 CB SER A 36 -4.622 3.491 15.459 1.00 0.00 C ATOM 571 OG SER A 36 -5.409 4.158 16.443 1.00 0.00 O ATOM 0 H SER A 36 -5.647 2.180 13.619 1.00 0.00 H new ATOM 0 HA SER A 36 -5.530 4.912 14.149 1.00 0.00 H new ATOM 0 HB2 SER A 36 -4.866 2.429 15.458 1.00 0.00 H new ATOM 0 HB3 SER A 36 -3.567 3.576 15.720 1.00 0.00 H new ATOM 0 HG SER A 36 -5.238 3.761 17.323 1.00 0.00 H new ATOM 577 N PHE A 37 -3.007 3.763 12.533 1.00 0.00 N ATOM 578 CA PHE A 37 -1.753 4.099 11.881 1.00 0.00 C ATOM 579 C PHE A 37 -1.988 4.537 10.434 1.00 0.00 C ATOM 580 O PHE A 37 -1.420 5.531 9.983 1.00 0.00 O ATOM 581 CB PHE A 37 -0.894 2.833 11.885 1.00 0.00 C ATOM 582 CG PHE A 37 -0.539 2.327 13.284 1.00 0.00 C ATOM 583 CD1 PHE A 37 -1.510 1.825 14.093 1.00 0.00 C ATOM 584 CD2 PHE A 37 0.748 2.379 13.720 1.00 0.00 C ATOM 585 CE1 PHE A 37 -1.181 1.355 15.391 1.00 0.00 C ATOM 586 CE2 PHE A 37 1.078 1.910 15.019 1.00 0.00 C ATOM 587 CZ PHE A 37 0.106 1.407 15.827 1.00 0.00 C ATOM 0 H PHE A 37 -3.433 2.893 12.215 1.00 0.00 H new ATOM 0 HA PHE A 37 -1.268 4.921 12.407 1.00 0.00 H new ATOM 0 HB2 PHE A 37 -1.423 2.046 11.348 1.00 0.00 H new ATOM 0 HB3 PHE A 37 0.027 3.029 11.336 1.00 0.00 H new ATOM 0 HD1 PHE A 37 -2.532 1.784 13.747 1.00 0.00 H new ATOM 0 HD2 PHE A 37 1.520 2.777 13.078 1.00 0.00 H new ATOM 0 HE1 PHE A 37 -1.953 0.956 16.033 1.00 0.00 H new ATOM 0 HE2 PHE A 37 2.100 1.953 15.365 1.00 0.00 H new ATOM 0 HZ PHE A 37 0.356 1.049 16.815 1.00 0.00 H new ATOM 597 N TYR A 38 -2.825 3.774 9.746 1.00 0.00 N ATOM 598 CA TYR A 38 -3.141 4.071 8.360 1.00 0.00 C ATOM 599 C TYR A 38 -4.369 4.978 8.259 1.00 0.00 C ATOM 600 O TYR A 38 -4.425 5.862 7.405 1.00 0.00 O ATOM 601 CB TYR A 38 -3.459 2.727 7.702 1.00 0.00 C ATOM 602 CG TYR A 38 -2.400 2.256 6.704 1.00 0.00 C ATOM 603 CD1 TYR A 38 -2.238 2.919 5.505 1.00 0.00 C ATOM 604 CD2 TYR A 38 -1.606 1.167 7.003 1.00 0.00 C ATOM 605 CE1 TYR A 38 -1.240 2.475 4.566 1.00 0.00 C ATOM 606 CE2 TYR A 38 -0.609 0.723 6.064 1.00 0.00 C ATOM 607 CZ TYR A 38 -0.475 1.399 4.892 1.00 0.00 C ATOM 608 OH TYR A 38 0.467 0.980 4.005 1.00 0.00 O ATOM 0 H TYR A 38 -3.294 2.950 10.123 1.00 0.00 H new ATOM 0 HA TYR A 38 -2.309 4.585 7.879 1.00 0.00 H new ATOM 0 HB2 TYR A 38 -3.572 1.971 8.479 1.00 0.00 H new ATOM 0 HB3 TYR A 38 -4.418 2.803 7.189 1.00 0.00 H new ATOM 0 HD1 TYR A 38 -2.859 3.771 5.271 1.00 0.00 H new ATOM 0 HD2 TYR A 38 -1.733 0.648 7.942 1.00 0.00 H new ATOM 0 HE1 TYR A 38 -1.102 2.985 3.624 1.00 0.00 H new ATOM 0 HE2 TYR A 38 0.018 -0.128 6.286 1.00 0.00 H new ATOM 0 HH TYR A 38 1.012 0.276 4.415 1.00 0.00 H new ATOM 618 N GLY A 39 -5.323 4.728 9.144 1.00 0.00 N ATOM 619 CA GLY A 39 -6.547 5.511 9.166 1.00 0.00 C ATOM 620 C GLY A 39 -6.248 7.002 8.998 1.00 0.00 C ATOM 621 O GLY A 39 -5.091 7.416 9.052 1.00 0.00 O ATOM 0 H GLY A 39 -5.273 3.994 9.851 1.00 0.00 H new ATOM 0 HA2 GLY A 39 -7.210 5.177 8.368 1.00 0.00 H new ATOM 0 HA3 GLY A 39 -7.072 5.346 10.107 1.00 0.00 H new ATOM 625 N SER A 40 -7.310 7.767 8.796 1.00 0.00 N ATOM 626 CA SER A 40 -7.176 9.203 8.619 1.00 0.00 C ATOM 627 C SER A 40 -6.055 9.738 9.513 1.00 0.00 C ATOM 628 O SER A 40 -6.050 9.497 10.719 1.00 0.00 O ATOM 629 CB SER A 40 -8.490 9.922 8.930 1.00 0.00 C ATOM 630 OG SER A 40 -8.415 11.317 8.650 1.00 0.00 O ATOM 0 H SER A 40 -8.268 7.419 8.751 1.00 0.00 H new ATOM 0 HA SER A 40 -6.925 9.396 7.576 1.00 0.00 H new ATOM 0 HB2 SER A 40 -9.294 9.477 8.344 1.00 0.00 H new ATOM 0 HB3 SER A 40 -8.743 9.776 9.980 1.00 0.00 H new ATOM 0 HG SER A 40 -9.274 11.739 8.860 1.00 0.00 H new ATOM 636 N GLY A 41 -5.132 10.453 8.887 1.00 0.00 N ATOM 637 CA GLY A 41 -4.008 11.023 9.610 1.00 0.00 C ATOM 638 C GLY A 41 -3.434 10.019 10.611 1.00 0.00 C ATOM 639 O GLY A 41 -3.829 10.002 11.776 1.00 0.00 O ATOM 0 H GLY A 41 -5.140 10.651 7.886 1.00 0.00 H new ATOM 0 HA2 GLY A 41 -3.232 11.323 8.905 1.00 0.00 H new ATOM 0 HA3 GLY A 41 -4.328 11.923 10.135 1.00 0.00 H new ATOM 643 N GLY A 42 -2.510 9.205 10.120 1.00 0.00 N ATOM 644 CA GLY A 42 -1.877 8.200 10.957 1.00 0.00 C ATOM 645 C GLY A 42 -0.474 7.867 10.447 1.00 0.00 C ATOM 646 O GLY A 42 -0.003 8.463 9.480 1.00 0.00 O ATOM 0 H GLY A 42 -2.185 9.221 9.153 1.00 0.00 H new ATOM 0 HA2 GLY A 42 -1.818 8.561 11.984 1.00 0.00 H new ATOM 0 HA3 GLY A 42 -2.487 7.297 10.971 1.00 0.00 H new ATOM 650 N ASP A 43 0.156 6.916 11.122 1.00 0.00 N ATOM 651 CA ASP A 43 1.496 6.497 10.749 1.00 0.00 C ATOM 652 C ASP A 43 1.604 6.442 9.224 1.00 0.00 C ATOM 653 O ASP A 43 2.529 7.007 8.643 1.00 0.00 O ATOM 654 CB ASP A 43 1.809 5.102 11.296 1.00 0.00 C ATOM 655 CG ASP A 43 3.028 5.027 12.217 1.00 0.00 C ATOM 656 OD1 ASP A 43 4.145 4.904 11.670 1.00 0.00 O ATOM 657 OD2 ASP A 43 2.816 5.094 13.446 1.00 0.00 O ATOM 0 H ASP A 43 -0.237 6.424 11.925 1.00 0.00 H new ATOM 0 HA ASP A 43 2.202 7.215 11.166 1.00 0.00 H new ATOM 0 HB2 ASP A 43 0.938 4.738 11.841 1.00 0.00 H new ATOM 0 HB3 ASP A 43 1.965 4.425 10.456 1.00 0.00 H new ATOM 662 N TYR A 44 0.644 5.756 8.620 1.00 0.00 N ATOM 663 CA TYR A 44 0.620 5.620 7.173 1.00 0.00 C ATOM 664 C TYR A 44 -0.473 6.497 6.559 1.00 0.00 C ATOM 665 O TYR A 44 -1.388 5.992 5.910 1.00 0.00 O ATOM 666 CB TYR A 44 0.296 4.152 6.893 1.00 0.00 C ATOM 667 CG TYR A 44 0.884 3.178 7.917 1.00 0.00 C ATOM 668 CD1 TYR A 44 2.253 3.068 8.056 1.00 0.00 C ATOM 669 CD2 TYR A 44 0.047 2.411 8.701 1.00 0.00 C ATOM 670 CE1 TYR A 44 2.807 2.152 9.019 1.00 0.00 C ATOM 671 CE2 TYR A 44 0.601 1.496 9.664 1.00 0.00 C ATOM 672 CZ TYR A 44 1.953 1.411 9.775 1.00 0.00 C ATOM 673 OH TYR A 44 2.477 0.546 10.685 1.00 0.00 O ATOM 0 H TYR A 44 -0.122 5.289 9.106 1.00 0.00 H new ATOM 0 HA TYR A 44 1.573 5.927 6.742 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -0.787 4.028 6.869 1.00 0.00 H new ATOM 0 HB3 TYR A 44 0.669 3.891 5.903 1.00 0.00 H new ATOM 0 HD1 TYR A 44 2.908 3.669 7.443 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -1.024 2.497 8.592 1.00 0.00 H new ATOM 0 HE1 TYR A 44 3.876 2.056 9.138 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -0.043 0.891 10.284 1.00 0.00 H new ATOM 0 HH TYR A 44 1.751 0.085 11.154 1.00 0.00 H new ATOM 683 N SER A 45 -0.342 7.796 6.785 1.00 0.00 N ATOM 684 CA SER A 45 -1.307 8.748 6.262 1.00 0.00 C ATOM 685 C SER A 45 -1.108 8.920 4.755 1.00 0.00 C ATOM 686 O SER A 45 -2.068 9.152 4.021 1.00 0.00 O ATOM 687 CB SER A 45 -1.188 10.099 6.971 1.00 0.00 C ATOM 688 OG SER A 45 -0.325 10.993 6.274 1.00 0.00 O ATOM 0 H SER A 45 0.418 8.212 7.323 1.00 0.00 H new ATOM 0 HA SER A 45 -2.308 8.358 6.448 1.00 0.00 H new ATOM 0 HB2 SER A 45 -2.177 10.548 7.064 1.00 0.00 H new ATOM 0 HB3 SER A 45 -0.811 9.946 7.982 1.00 0.00 H new ATOM 0 HG SER A 45 -0.277 11.844 6.757 1.00 0.00 H new ATOM 694 N MET A 46 0.144 8.801 4.338 1.00 0.00 N ATOM 695 CA MET A 46 0.481 8.940 2.932 1.00 0.00 C ATOM 696 C MET A 46 0.246 7.629 2.179 1.00 0.00 C ATOM 697 O MET A 46 -0.057 7.638 0.987 1.00 0.00 O ATOM 698 CB MET A 46 1.948 9.352 2.796 1.00 0.00 C ATOM 699 CG MET A 46 2.847 8.472 3.668 1.00 0.00 C ATOM 700 SD MET A 46 3.262 9.329 5.177 1.00 0.00 S ATOM 701 CE MET A 46 3.670 10.937 4.519 1.00 0.00 C ATOM 0 H MET A 46 0.937 8.610 4.950 1.00 0.00 H new ATOM 0 HA MET A 46 -0.162 9.706 2.498 1.00 0.00 H new ATOM 0 HB2 MET A 46 2.257 9.273 1.754 1.00 0.00 H new ATOM 0 HB3 MET A 46 2.065 10.397 3.085 1.00 0.00 H new ATOM 0 HG2 MET A 46 2.339 7.536 3.900 1.00 0.00 H new ATOM 0 HG3 MET A 46 3.756 8.215 3.124 1.00 0.00 H new ATOM 0 HE1 MET A 46 4.526 11.344 5.057 1.00 0.00 H new ATOM 0 HE2 MET A 46 3.916 10.845 3.461 1.00 0.00 H new ATOM 0 HE3 MET A 46 2.817 11.605 4.636 1.00 0.00 H new ATOM 711 N PHE A 47 0.396 6.531 2.906 1.00 0.00 N ATOM 712 CA PHE A 47 0.205 5.215 2.323 1.00 0.00 C ATOM 713 C PHE A 47 -1.283 4.883 2.194 1.00 0.00 C ATOM 714 O PHE A 47 -1.694 4.213 1.248 1.00 0.00 O ATOM 715 CB PHE A 47 0.860 4.206 3.269 1.00 0.00 C ATOM 716 CG PHE A 47 2.322 4.517 3.594 1.00 0.00 C ATOM 717 CD1 PHE A 47 3.020 5.392 2.820 1.00 0.00 C ATOM 718 CD2 PHE A 47 2.925 3.920 4.657 1.00 0.00 C ATOM 719 CE1 PHE A 47 4.377 5.680 3.122 1.00 0.00 C ATOM 720 CE2 PHE A 47 4.282 4.208 4.959 1.00 0.00 C ATOM 721 CZ PHE A 47 4.979 5.082 4.185 1.00 0.00 C ATOM 0 H PHE A 47 0.648 6.527 3.894 1.00 0.00 H new ATOM 0 HA PHE A 47 0.645 5.183 1.326 1.00 0.00 H new ATOM 0 HB2 PHE A 47 0.291 4.172 4.198 1.00 0.00 H new ATOM 0 HB3 PHE A 47 0.801 3.213 2.823 1.00 0.00 H new ATOM 0 HD1 PHE A 47 2.542 5.867 1.976 1.00 0.00 H new ATOM 0 HD2 PHE A 47 2.371 3.226 5.272 1.00 0.00 H new ATOM 0 HE1 PHE A 47 4.931 6.374 2.508 1.00 0.00 H new ATOM 0 HE2 PHE A 47 4.760 3.733 5.803 1.00 0.00 H new ATOM 0 HZ PHE A 47 6.011 5.302 4.414 1.00 0.00 H new ATOM 731 N ALA A 48 -2.050 5.368 3.159 1.00 0.00 N ATOM 732 CA ALA A 48 -3.484 5.131 3.165 1.00 0.00 C ATOM 733 C ALA A 48 -4.050 5.417 1.773 1.00 0.00 C ATOM 734 O ALA A 48 -3.766 6.460 1.185 1.00 0.00 O ATOM 735 CB ALA A 48 -4.139 5.991 4.249 1.00 0.00 C ATOM 0 H ALA A 48 -1.706 5.924 3.942 1.00 0.00 H new ATOM 0 HA ALA A 48 -3.700 4.089 3.401 1.00 0.00 H new ATOM 0 HB1 ALA A 48 -5.214 5.814 4.254 1.00 0.00 H new ATOM 0 HB2 ALA A 48 -3.724 5.729 5.222 1.00 0.00 H new ATOM 0 HB3 ALA A 48 -3.946 7.044 4.044 1.00 0.00 H new ATOM 741 N GLY A 49 -4.841 4.473 1.285 1.00 0.00 N ATOM 742 CA GLY A 49 -5.449 4.610 -0.027 1.00 0.00 C ATOM 743 C GLY A 49 -4.419 5.059 -1.065 1.00 0.00 C ATOM 744 O GLY A 49 -4.734 5.843 -1.959 1.00 0.00 O ATOM 0 H GLY A 49 -5.075 3.610 1.775 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -5.885 3.658 -0.331 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -6.263 5.334 0.019 1.00 0.00 H new ATOM 748 N LYS A 50 -3.208 4.542 -0.912 1.00 0.00 N ATOM 749 CA LYS A 50 -2.130 4.880 -1.825 1.00 0.00 C ATOM 750 C LYS A 50 -1.056 3.792 -1.764 1.00 0.00 C ATOM 751 O LYS A 50 -0.863 3.162 -0.725 1.00 0.00 O ATOM 752 CB LYS A 50 -1.598 6.284 -1.530 1.00 0.00 C ATOM 753 CG LYS A 50 -2.642 7.349 -1.875 1.00 0.00 C ATOM 754 CD LYS A 50 -1.992 8.726 -2.023 1.00 0.00 C ATOM 755 CE LYS A 50 -2.106 9.235 -3.461 1.00 0.00 C ATOM 756 NZ LYS A 50 -1.168 8.506 -4.344 1.00 0.00 N ATOM 0 H LYS A 50 -2.950 3.892 -0.170 1.00 0.00 H new ATOM 0 HA LYS A 50 -2.496 4.911 -2.851 1.00 0.00 H new ATOM 0 HB2 LYS A 50 -1.329 6.361 -0.477 1.00 0.00 H new ATOM 0 HB3 LYS A 50 -0.689 6.461 -2.105 1.00 0.00 H new ATOM 0 HG2 LYS A 50 -3.148 7.080 -2.802 1.00 0.00 H new ATOM 0 HG3 LYS A 50 -3.403 7.384 -1.095 1.00 0.00 H new ATOM 0 HD2 LYS A 50 -2.470 9.432 -1.345 1.00 0.00 H new ATOM 0 HD3 LYS A 50 -0.942 8.669 -1.736 1.00 0.00 H new ATOM 0 HE2 LYS A 50 -3.127 9.105 -3.819 1.00 0.00 H new ATOM 0 HE3 LYS A 50 -1.890 10.303 -3.493 1.00 0.00 H new ATOM 0 HZ1 LYS A 50 -1.258 8.863 -5.317 1.00 0.00 H new ATOM 0 HZ2 LYS A 50 -0.194 8.651 -4.011 1.00 0.00 H new ATOM 0 HZ3 LYS A 50 -1.393 7.491 -4.326 1.00 0.00 H new ATOM 770 N ASP A 51 -0.386 3.603 -2.891 1.00 0.00 N ATOM 771 CA ASP A 51 0.663 2.601 -2.979 1.00 0.00 C ATOM 772 C ASP A 51 1.994 3.223 -2.550 1.00 0.00 C ATOM 773 O ASP A 51 2.457 4.186 -3.159 1.00 0.00 O ATOM 774 CB ASP A 51 0.820 2.092 -4.413 1.00 0.00 C ATOM 775 CG ASP A 51 1.771 0.905 -4.578 1.00 0.00 C ATOM 776 OD1 ASP A 51 2.909 1.016 -4.074 1.00 0.00 O ATOM 777 OD2 ASP A 51 1.338 -0.087 -5.204 1.00 0.00 O ATOM 0 H ASP A 51 -0.549 4.127 -3.751 1.00 0.00 H new ATOM 0 HA ASP A 51 0.390 1.770 -2.329 1.00 0.00 H new ATOM 0 HB2 ASP A 51 -0.162 1.807 -4.791 1.00 0.00 H new ATOM 0 HB3 ASP A 51 1.175 2.912 -5.037 1.00 0.00 H new ATOM 782 N ALA A 52 2.570 2.647 -1.506 1.00 0.00 N ATOM 783 CA ALA A 52 3.838 3.133 -0.989 1.00 0.00 C ATOM 784 C ALA A 52 4.934 2.109 -1.292 1.00 0.00 C ATOM 785 O ALA A 52 5.569 1.585 -0.379 1.00 0.00 O ATOM 786 CB ALA A 52 3.704 3.416 0.509 1.00 0.00 C ATOM 0 H ALA A 52 2.182 1.848 -1.004 1.00 0.00 H new ATOM 0 HA ALA A 52 4.117 4.068 -1.475 1.00 0.00 H new ATOM 0 HB1 ALA A 52 4.655 3.781 0.897 1.00 0.00 H new ATOM 0 HB2 ALA A 52 2.934 4.170 0.669 1.00 0.00 H new ATOM 0 HB3 ALA A 52 3.428 2.499 1.029 1.00 0.00 H new ATOM 792 N SER A 53 5.121 1.854 -2.579 1.00 0.00 N ATOM 793 CA SER A 53 6.129 0.902 -3.015 1.00 0.00 C ATOM 794 C SER A 53 7.524 1.511 -2.861 1.00 0.00 C ATOM 795 O SER A 53 8.386 0.938 -2.196 1.00 0.00 O ATOM 796 CB SER A 53 5.893 0.475 -4.465 1.00 0.00 C ATOM 797 OG SER A 53 5.106 -0.710 -4.551 1.00 0.00 O ATOM 0 H SER A 53 4.592 2.290 -3.334 1.00 0.00 H new ATOM 0 HA SER A 53 6.056 0.014 -2.387 1.00 0.00 H new ATOM 0 HB2 SER A 53 5.395 1.281 -5.004 1.00 0.00 H new ATOM 0 HB3 SER A 53 6.852 0.309 -4.955 1.00 0.00 H new ATOM 0 HG SER A 53 4.160 -0.483 -4.434 1.00 0.00 H new ATOM 803 N ARG A 54 7.705 2.664 -3.489 1.00 0.00 N ATOM 804 CA ARG A 54 8.981 3.356 -3.430 1.00 0.00 C ATOM 805 C ARG A 54 9.228 3.895 -2.020 1.00 0.00 C ATOM 806 O ARG A 54 10.347 3.828 -1.513 1.00 0.00 O ATOM 807 CB ARG A 54 9.024 4.516 -4.427 1.00 0.00 C ATOM 808 CG ARG A 54 8.145 4.226 -5.645 1.00 0.00 C ATOM 809 CD ARG A 54 8.835 4.668 -6.937 1.00 0.00 C ATOM 810 NE ARG A 54 8.378 6.023 -7.317 1.00 0.00 N ATOM 811 CZ ARG A 54 8.924 6.752 -8.300 1.00 0.00 C ATOM 812 NH1 ARG A 54 9.950 6.261 -9.007 1.00 0.00 N ATOM 813 NH2 ARG A 54 8.443 7.972 -8.575 1.00 0.00 N ATOM 0 H ARG A 54 6.989 3.136 -4.041 1.00 0.00 H new ATOM 0 HA ARG A 54 9.760 2.639 -3.690 1.00 0.00 H new ATOM 0 HB2 ARG A 54 8.686 5.431 -3.940 1.00 0.00 H new ATOM 0 HB3 ARG A 54 10.052 4.686 -4.748 1.00 0.00 H new ATOM 0 HG2 ARG A 54 7.924 3.160 -5.693 1.00 0.00 H new ATOM 0 HG3 ARG A 54 7.192 4.745 -5.542 1.00 0.00 H new ATOM 0 HD2 ARG A 54 9.916 4.665 -6.801 1.00 0.00 H new ATOM 0 HD3 ARG A 54 8.613 3.962 -7.737 1.00 0.00 H new ATOM 0 HE ARG A 54 7.599 6.428 -6.798 1.00 0.00 H new ATOM 0 HH11 ARG A 54 10.316 5.332 -8.797 1.00 0.00 H new ATOM 0 HH12 ARG A 54 10.366 6.816 -9.755 1.00 0.00 H new ATOM 0 HH21 ARG A 54 7.662 8.345 -8.036 1.00 0.00 H new ATOM 0 HH22 ARG A 54 8.858 8.527 -9.323 1.00 0.00 H new ATOM 827 N ALA A 55 8.166 4.417 -1.425 1.00 0.00 N ATOM 828 CA ALA A 55 8.253 4.967 -0.083 1.00 0.00 C ATOM 829 C ALA A 55 8.692 3.868 0.886 1.00 0.00 C ATOM 830 O ALA A 55 9.511 4.107 1.772 1.00 0.00 O ATOM 831 CB ALA A 55 6.908 5.584 0.305 1.00 0.00 C ATOM 0 H ALA A 55 7.239 4.471 -1.848 1.00 0.00 H new ATOM 0 HA ALA A 55 8.999 5.761 -0.041 1.00 0.00 H new ATOM 0 HB1 ALA A 55 6.974 5.996 1.312 1.00 0.00 H new ATOM 0 HB2 ALA A 55 6.656 6.379 -0.397 1.00 0.00 H new ATOM 0 HB3 ALA A 55 6.134 4.817 0.277 1.00 0.00 H new ATOM 837 N LEU A 56 8.126 2.686 0.686 1.00 0.00 N ATOM 838 CA LEU A 56 8.448 1.550 1.531 1.00 0.00 C ATOM 839 C LEU A 56 9.880 1.095 1.243 1.00 0.00 C ATOM 840 O LEU A 56 10.674 0.909 2.165 1.00 0.00 O ATOM 841 CB LEU A 56 7.406 0.443 1.361 1.00 0.00 C ATOM 842 CG LEU A 56 6.085 0.644 2.107 1.00 0.00 C ATOM 843 CD1 LEU A 56 5.020 -0.336 1.612 1.00 0.00 C ATOM 844 CD2 LEU A 56 6.291 0.551 3.621 1.00 0.00 C ATOM 0 H LEU A 56 7.446 2.492 -0.049 1.00 0.00 H new ATOM 0 HA LEU A 56 8.409 1.835 2.582 1.00 0.00 H new ATOM 0 HB2 LEU A 56 7.188 0.337 0.298 1.00 0.00 H new ATOM 0 HB3 LEU A 56 7.847 -0.498 1.691 1.00 0.00 H new ATOM 0 HG LEU A 56 5.721 1.649 1.892 1.00 0.00 H new ATOM 0 HD11 LEU A 56 4.092 -0.171 2.159 1.00 0.00 H new ATOM 0 HD12 LEU A 56 4.847 -0.178 0.547 1.00 0.00 H new ATOM 0 HD13 LEU A 56 5.361 -1.358 1.776 1.00 0.00 H new ATOM 0 HD21 LEU A 56 5.337 0.697 4.128 1.00 0.00 H new ATOM 0 HD22 LEU A 56 6.689 -0.431 3.874 1.00 0.00 H new ATOM 0 HD23 LEU A 56 6.993 1.321 3.941 1.00 0.00 H new ATOM 856 N GLY A 57 10.168 0.929 -0.040 1.00 0.00 N ATOM 857 CA GLY A 57 11.491 0.499 -0.460 1.00 0.00 C ATOM 858 C GLY A 57 12.572 1.427 0.098 1.00 0.00 C ATOM 859 O GLY A 57 13.278 1.067 1.039 1.00 0.00 O ATOM 0 H GLY A 57 9.508 1.084 -0.802 1.00 0.00 H new ATOM 0 HA2 GLY A 57 11.671 -0.521 -0.120 1.00 0.00 H new ATOM 0 HA3 GLY A 57 11.544 0.486 -1.549 1.00 0.00 H new ATOM 863 N LYS A 58 12.667 2.602 -0.506 1.00 0.00 N ATOM 864 CA LYS A 58 13.650 3.584 -0.081 1.00 0.00 C ATOM 865 C LYS A 58 13.414 3.932 1.390 1.00 0.00 C ATOM 866 O LYS A 58 14.316 4.423 2.068 1.00 0.00 O ATOM 867 CB LYS A 58 13.631 4.799 -1.011 1.00 0.00 C ATOM 868 CG LYS A 58 13.525 4.367 -2.475 1.00 0.00 C ATOM 869 CD LYS A 58 12.253 4.921 -3.120 1.00 0.00 C ATOM 870 CE LYS A 58 12.582 5.723 -4.381 1.00 0.00 C ATOM 871 NZ LYS A 58 12.425 7.173 -4.129 1.00 0.00 N ATOM 0 H LYS A 58 12.080 2.896 -1.286 1.00 0.00 H new ATOM 0 HA LYS A 58 14.656 3.172 -0.154 1.00 0.00 H new ATOM 0 HB2 LYS A 58 12.789 5.443 -0.756 1.00 0.00 H new ATOM 0 HB3 LYS A 58 14.538 5.387 -0.866 1.00 0.00 H new ATOM 0 HG2 LYS A 58 14.398 4.717 -3.025 1.00 0.00 H new ATOM 0 HG3 LYS A 58 13.524 3.279 -2.538 1.00 0.00 H new ATOM 0 HD2 LYS A 58 11.581 4.100 -3.372 1.00 0.00 H new ATOM 0 HD3 LYS A 58 11.727 5.556 -2.408 1.00 0.00 H new ATOM 0 HE2 LYS A 58 13.603 5.511 -4.697 1.00 0.00 H new ATOM 0 HE3 LYS A 58 11.926 5.416 -5.196 1.00 0.00 H new ATOM 0 HZ1 LYS A 58 12.856 7.710 -4.908 1.00 0.00 H new ATOM 0 HZ2 LYS A 58 11.414 7.407 -4.066 1.00 0.00 H new ATOM 0 HZ3 LYS A 58 12.895 7.423 -3.235 1.00 0.00 H new ATOM 885 N MET A 59 12.198 3.664 1.841 1.00 0.00 N ATOM 886 CA MET A 59 11.832 3.942 3.219 1.00 0.00 C ATOM 887 C MET A 59 11.620 5.442 3.438 1.00 0.00 C ATOM 888 O MET A 59 12.102 6.004 4.420 1.00 0.00 O ATOM 889 CB MET A 59 12.936 3.441 4.152 1.00 0.00 C ATOM 890 CG MET A 59 13.459 2.076 3.699 1.00 0.00 C ATOM 891 SD MET A 59 14.216 1.226 5.073 1.00 0.00 S ATOM 892 CE MET A 59 12.949 0.019 5.426 1.00 0.00 C ATOM 0 H MET A 59 11.453 3.257 1.276 1.00 0.00 H new ATOM 0 HA MET A 59 10.897 3.426 3.438 1.00 0.00 H new ATOM 0 HB2 MET A 59 13.755 4.160 4.171 1.00 0.00 H new ATOM 0 HB3 MET A 59 12.552 3.368 5.169 1.00 0.00 H new ATOM 0 HG2 MET A 59 12.640 1.479 3.298 1.00 0.00 H new ATOM 0 HG3 MET A 59 14.184 2.204 2.895 1.00 0.00 H new ATOM 0 HE1 MET A 59 12.386 0.330 6.306 1.00 0.00 H new ATOM 0 HE2 MET A 59 12.275 -0.061 4.573 1.00 0.00 H new ATOM 0 HE3 MET A 59 13.412 -0.950 5.615 1.00 0.00 H new ATOM 902 N SER A 60 10.897 6.047 2.506 1.00 0.00 N ATOM 903 CA SER A 60 10.616 7.470 2.585 1.00 0.00 C ATOM 904 C SER A 60 9.105 7.707 2.546 1.00 0.00 C ATOM 905 O SER A 60 8.380 7.001 1.846 1.00 0.00 O ATOM 906 CB SER A 60 11.302 8.231 1.449 1.00 0.00 C ATOM 907 OG SER A 60 11.949 9.413 1.912 1.00 0.00 O ATOM 0 H SER A 60 10.498 5.578 1.693 1.00 0.00 H new ATOM 0 HA SER A 60 11.013 7.845 3.528 1.00 0.00 H new ATOM 0 HB2 SER A 60 12.034 7.582 0.968 1.00 0.00 H new ATOM 0 HB3 SER A 60 10.564 8.495 0.692 1.00 0.00 H new ATOM 0 HG SER A 60 11.526 10.198 1.505 1.00 0.00 H new ATOM 913 N LYS A 61 8.675 8.704 3.306 1.00 0.00 N ATOM 914 CA LYS A 61 7.263 9.043 3.367 1.00 0.00 C ATOM 915 C LYS A 61 6.948 10.089 2.296 1.00 0.00 C ATOM 916 O LYS A 61 5.948 10.799 2.392 1.00 0.00 O ATOM 917 CB LYS A 61 6.877 9.476 4.783 1.00 0.00 C ATOM 918 CG LYS A 61 7.454 10.855 5.110 1.00 0.00 C ATOM 919 CD LYS A 61 7.264 11.191 6.591 1.00 0.00 C ATOM 920 CE LYS A 61 8.608 11.466 7.268 1.00 0.00 C ATOM 921 NZ LYS A 61 8.544 11.123 8.706 1.00 0.00 N ATOM 0 H LYS A 61 9.279 9.288 3.884 1.00 0.00 H new ATOM 0 HA LYS A 61 6.651 8.168 3.148 1.00 0.00 H new ATOM 0 HB2 LYS A 61 5.791 9.500 4.877 1.00 0.00 H new ATOM 0 HB3 LYS A 61 7.243 8.744 5.503 1.00 0.00 H new ATOM 0 HG2 LYS A 61 8.515 10.878 4.861 1.00 0.00 H new ATOM 0 HG3 LYS A 61 6.966 11.612 4.496 1.00 0.00 H new ATOM 0 HD2 LYS A 61 6.618 12.063 6.690 1.00 0.00 H new ATOM 0 HD3 LYS A 61 6.762 10.364 7.094 1.00 0.00 H new ATOM 0 HE2 LYS A 61 9.392 10.883 6.784 1.00 0.00 H new ATOM 0 HE3 LYS A 61 8.873 12.517 7.150 1.00 0.00 H new ATOM 0 HZ1 LYS A 61 9.464 11.316 9.150 1.00 0.00 H new ATOM 0 HZ2 LYS A 61 7.810 11.697 9.168 1.00 0.00 H new ATOM 0 HZ3 LYS A 61 8.313 10.115 8.812 1.00 0.00 H new ATOM 935 N ASN A 62 7.819 10.151 1.300 1.00 0.00 N ATOM 936 CA ASN A 62 7.646 11.099 0.212 1.00 0.00 C ATOM 937 C ASN A 62 6.286 10.867 -0.448 1.00 0.00 C ATOM 938 O ASN A 62 5.798 9.739 -0.495 1.00 0.00 O ATOM 939 CB ASN A 62 8.727 10.915 -0.855 1.00 0.00 C ATOM 940 CG ASN A 62 9.971 11.742 -0.524 1.00 0.00 C ATOM 941 OD1 ASN A 62 10.517 11.681 0.565 1.00 0.00 O ATOM 942 ND2 ASN A 62 10.386 12.517 -1.521 1.00 0.00 N ATOM 0 H ASN A 62 8.647 9.560 1.223 1.00 0.00 H new ATOM 0 HA ASN A 62 7.715 12.105 0.626 1.00 0.00 H new ATOM 0 HB2 ASN A 62 8.995 9.861 -0.928 1.00 0.00 H new ATOM 0 HB3 ASN A 62 8.337 11.212 -1.828 1.00 0.00 H new ATOM 0 HD21 ASN A 62 11.208 13.108 -1.399 1.00 0.00 H new ATOM 0 HD22 ASN A 62 9.882 12.520 -2.408 1.00 0.00 H new ATOM 949 N GLU A 63 5.711 11.954 -0.942 1.00 0.00 N ATOM 950 CA GLU A 63 4.416 11.884 -1.598 1.00 0.00 C ATOM 951 C GLU A 63 4.567 11.322 -3.013 1.00 0.00 C ATOM 952 O GLU A 63 3.619 10.774 -3.572 1.00 0.00 O ATOM 953 CB GLU A 63 3.738 13.255 -1.621 1.00 0.00 C ATOM 954 CG GLU A 63 2.524 13.283 -0.692 1.00 0.00 C ATOM 955 CD GLU A 63 1.778 14.615 -0.803 1.00 0.00 C ATOM 956 OE1 GLU A 63 1.602 15.072 -1.953 1.00 0.00 O ATOM 957 OE2 GLU A 63 1.402 15.145 0.265 1.00 0.00 O ATOM 0 H GLU A 63 6.118 12.888 -0.901 1.00 0.00 H new ATOM 0 HA GLU A 63 3.777 11.210 -1.027 1.00 0.00 H new ATOM 0 HB2 GLU A 63 4.450 14.022 -1.317 1.00 0.00 H new ATOM 0 HB3 GLU A 63 3.427 13.494 -2.638 1.00 0.00 H new ATOM 0 HG2 GLU A 63 1.851 12.463 -0.943 1.00 0.00 H new ATOM 0 HG3 GLU A 63 2.846 13.127 0.338 1.00 0.00 H new ATOM 964 N GLU A 64 5.768 11.479 -3.552 1.00 0.00 N ATOM 965 CA GLU A 64 6.055 10.994 -4.891 1.00 0.00 C ATOM 966 C GLU A 64 6.562 9.551 -4.836 1.00 0.00 C ATOM 967 O GLU A 64 6.498 8.829 -5.830 1.00 0.00 O ATOM 968 CB GLU A 64 7.063 11.902 -5.598 1.00 0.00 C ATOM 969 CG GLU A 64 6.761 13.376 -5.323 1.00 0.00 C ATOM 970 CD GLU A 64 7.113 14.244 -6.533 1.00 0.00 C ATOM 971 OE1 GLU A 64 6.280 14.283 -7.464 1.00 0.00 O ATOM 972 OE2 GLU A 64 8.206 14.848 -6.499 1.00 0.00 O ATOM 0 H GLU A 64 6.552 11.935 -3.086 1.00 0.00 H new ATOM 0 HA GLU A 64 5.131 11.012 -5.469 1.00 0.00 H new ATOM 0 HB2 GLU A 64 8.071 11.665 -5.259 1.00 0.00 H new ATOM 0 HB3 GLU A 64 7.035 11.716 -6.672 1.00 0.00 H new ATOM 0 HG2 GLU A 64 5.705 13.495 -5.081 1.00 0.00 H new ATOM 0 HG3 GLU A 64 7.327 13.711 -4.454 1.00 0.00 H new ATOM 979 N ASP A 65 7.052 9.174 -3.665 1.00 0.00 N ATOM 980 CA ASP A 65 7.569 7.831 -3.467 1.00 0.00 C ATOM 981 C ASP A 65 6.411 6.831 -3.514 1.00 0.00 C ATOM 982 O ASP A 65 6.627 5.633 -3.690 1.00 0.00 O ATOM 983 CB ASP A 65 8.253 7.698 -2.105 1.00 0.00 C ATOM 984 CG ASP A 65 9.754 7.994 -2.103 1.00 0.00 C ATOM 985 OD1 ASP A 65 10.165 8.844 -2.921 1.00 0.00 O ATOM 986 OD2 ASP A 65 10.455 7.364 -1.283 1.00 0.00 O ATOM 0 H ASP A 65 7.102 9.776 -2.843 1.00 0.00 H new ATOM 0 HA ASP A 65 8.294 7.630 -4.255 1.00 0.00 H new ATOM 0 HB2 ASP A 65 7.764 8.373 -1.402 1.00 0.00 H new ATOM 0 HB3 ASP A 65 8.097 6.685 -1.735 1.00 0.00 H new ATOM 991 N VAL A 66 5.207 7.361 -3.355 1.00 0.00 N ATOM 992 CA VAL A 66 4.015 6.531 -3.377 1.00 0.00 C ATOM 993 C VAL A 66 3.625 6.245 -4.828 1.00 0.00 C ATOM 994 O VAL A 66 2.993 7.076 -5.480 1.00 0.00 O ATOM 995 CB VAL A 66 2.896 7.201 -2.578 1.00 0.00 C ATOM 996 CG1 VAL A 66 1.536 6.587 -2.918 1.00 0.00 C ATOM 997 CG2 VAL A 66 3.173 7.124 -1.075 1.00 0.00 C ATOM 0 H VAL A 66 5.032 8.355 -3.210 1.00 0.00 H new ATOM 0 HA VAL A 66 4.209 5.572 -2.897 1.00 0.00 H new ATOM 0 HB VAL A 66 2.868 8.254 -2.859 1.00 0.00 H new ATOM 0 HG11 VAL A 66 0.758 7.081 -2.336 1.00 0.00 H new ATOM 0 HG12 VAL A 66 1.333 6.718 -3.981 1.00 0.00 H new ATOM 0 HG13 VAL A 66 1.547 5.524 -2.679 1.00 0.00 H new ATOM 0 HG21 VAL A 66 2.362 7.608 -0.530 1.00 0.00 H new ATOM 0 HG22 VAL A 66 3.242 6.080 -0.771 1.00 0.00 H new ATOM 0 HG23 VAL A 66 4.112 7.630 -0.852 1.00 0.00 H new ATOM 1007 N SER A 67 4.018 5.068 -5.292 1.00 0.00 N ATOM 1008 CA SER A 67 3.717 4.662 -6.655 1.00 0.00 C ATOM 1009 C SER A 67 2.898 3.370 -6.647 1.00 0.00 C ATOM 1010 O SER A 67 3.310 2.373 -6.057 1.00 0.00 O ATOM 1011 CB SER A 67 4.998 4.473 -7.469 1.00 0.00 C ATOM 1012 OG SER A 67 5.344 5.646 -8.201 1.00 0.00 O ATOM 0 H SER A 67 4.542 4.382 -4.749 1.00 0.00 H new ATOM 0 HA SER A 67 3.133 5.452 -7.126 1.00 0.00 H new ATOM 0 HB2 SER A 67 5.817 4.209 -6.800 1.00 0.00 H new ATOM 0 HB3 SER A 67 4.869 3.640 -8.160 1.00 0.00 H new ATOM 0 HG SER A 67 6.168 5.485 -8.706 1.00 0.00 H new ATOM 1018 N PRO A 68 1.721 3.432 -7.327 1.00 0.00 N ATOM 1019 CA PRO A 68 0.840 2.279 -7.404 1.00 0.00 C ATOM 1020 C PRO A 68 1.388 1.234 -8.378 1.00 0.00 C ATOM 1021 O PRO A 68 0.725 0.238 -8.664 1.00 0.00 O ATOM 1022 CB PRO A 68 -0.506 2.840 -7.831 1.00 0.00 C ATOM 1023 CG PRO A 68 -0.218 4.209 -8.425 1.00 0.00 C ATOM 1024 CD PRO A 68 1.200 4.596 -8.037 1.00 0.00 C ATOM 0 HA PRO A 68 0.754 1.752 -6.454 1.00 0.00 H new ATOM 0 HB2 PRO A 68 -0.986 2.190 -8.563 1.00 0.00 H new ATOM 0 HB3 PRO A 68 -1.184 2.918 -6.981 1.00 0.00 H new ATOM 0 HG2 PRO A 68 -0.324 4.185 -9.510 1.00 0.00 H new ATOM 0 HG3 PRO A 68 -0.930 4.945 -8.052 1.00 0.00 H new ATOM 0 HD2 PRO A 68 1.802 4.826 -8.916 1.00 0.00 H new ATOM 0 HD3 PRO A 68 1.209 5.483 -7.404 1.00 0.00 H new ATOM 1032 N SER A 69 2.594 1.497 -8.861 1.00 0.00 N ATOM 1033 CA SER A 69 3.239 0.592 -9.797 1.00 0.00 C ATOM 1034 C SER A 69 4.758 0.666 -9.635 1.00 0.00 C ATOM 1035 O SER A 69 5.313 1.746 -9.441 1.00 0.00 O ATOM 1036 CB SER A 69 2.843 0.917 -11.239 1.00 0.00 C ATOM 1037 OG SER A 69 3.929 1.465 -11.980 1.00 0.00 O ATOM 0 H SER A 69 3.141 2.324 -8.621 1.00 0.00 H new ATOM 0 HA SER A 69 2.906 -0.422 -9.576 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.489 0.011 -11.731 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.013 1.623 -11.237 1.00 0.00 H new ATOM 0 HG SER A 69 3.636 1.658 -12.895 1.00 0.00 H new ATOM 1043 N LEU A 70 5.388 -0.497 -9.719 1.00 0.00 N ATOM 1044 CA LEU A 70 6.832 -0.577 -9.584 1.00 0.00 C ATOM 1045 C LEU A 70 7.490 -0.030 -10.852 1.00 0.00 C ATOM 1046 O LEU A 70 8.305 -0.709 -11.475 1.00 0.00 O ATOM 1047 CB LEU A 70 7.259 -2.005 -9.237 1.00 0.00 C ATOM 1048 CG LEU A 70 6.632 -3.116 -10.081 1.00 0.00 C ATOM 1049 CD1 LEU A 70 6.458 -2.670 -11.533 1.00 0.00 C ATOM 1050 CD2 LEU A 70 7.441 -4.410 -9.972 1.00 0.00 C ATOM 0 H LEU A 70 4.924 -1.391 -9.879 1.00 0.00 H new ATOM 0 HA LEU A 70 7.172 0.044 -8.755 1.00 0.00 H new ATOM 0 HB2 LEU A 70 8.343 -2.072 -9.331 1.00 0.00 H new ATOM 0 HB3 LEU A 70 7.018 -2.191 -8.190 1.00 0.00 H new ATOM 0 HG LEU A 70 5.637 -3.324 -9.687 1.00 0.00 H new ATOM 0 HD11 LEU A 70 6.010 -3.479 -12.111 1.00 0.00 H new ATOM 0 HD12 LEU A 70 5.809 -1.795 -11.570 1.00 0.00 H new ATOM 0 HD13 LEU A 70 7.431 -2.418 -11.955 1.00 0.00 H new ATOM 0 HD21 LEU A 70 6.974 -5.184 -10.581 1.00 0.00 H new ATOM 0 HD22 LEU A 70 8.457 -4.235 -10.325 1.00 0.00 H new ATOM 0 HD23 LEU A 70 7.469 -4.735 -8.932 1.00 0.00 H new ATOM 1062 N GLU A 71 7.112 1.192 -11.196 1.00 0.00 N ATOM 1063 CA GLU A 71 7.655 1.838 -12.379 1.00 0.00 C ATOM 1064 C GLU A 71 8.791 2.788 -11.991 1.00 0.00 C ATOM 1065 O GLU A 71 8.659 4.004 -12.121 1.00 0.00 O ATOM 1066 CB GLU A 71 6.561 2.579 -13.151 1.00 0.00 C ATOM 1067 CG GLU A 71 5.838 3.583 -12.250 1.00 0.00 C ATOM 1068 CD GLU A 71 4.843 4.422 -13.054 1.00 0.00 C ATOM 1069 OE1 GLU A 71 5.153 4.696 -14.233 1.00 0.00 O ATOM 1070 OE2 GLU A 71 3.794 4.770 -12.470 1.00 0.00 O ATOM 0 H GLU A 71 6.436 1.752 -10.676 1.00 0.00 H new ATOM 0 HA GLU A 71 8.059 1.068 -13.036 1.00 0.00 H new ATOM 0 HB2 GLU A 71 7.000 3.099 -14.002 1.00 0.00 H new ATOM 0 HB3 GLU A 71 5.844 1.862 -13.551 1.00 0.00 H new ATOM 0 HG2 GLU A 71 5.313 3.052 -11.455 1.00 0.00 H new ATOM 0 HG3 GLU A 71 6.566 4.237 -11.770 1.00 0.00 H new ATOM 1077 N GLY A 72 9.880 2.196 -11.522 1.00 0.00 N ATOM 1078 CA GLY A 72 11.037 2.974 -11.114 1.00 0.00 C ATOM 1079 C GLY A 72 11.698 2.365 -9.876 1.00 0.00 C ATOM 1080 O GLY A 72 12.784 2.785 -9.478 1.00 0.00 O ATOM 0 H GLY A 72 9.985 1.187 -11.416 1.00 0.00 H new ATOM 0 HA2 GLY A 72 11.757 3.017 -11.931 1.00 0.00 H new ATOM 0 HA3 GLY A 72 10.734 3.999 -10.902 1.00 0.00 H new ATOM 1084 N LEU A 73 11.016 1.386 -9.301 1.00 0.00 N ATOM 1085 CA LEU A 73 11.524 0.715 -8.117 1.00 0.00 C ATOM 1086 C LEU A 73 12.901 0.123 -8.422 1.00 0.00 C ATOM 1087 O LEU A 73 13.011 -0.850 -9.167 1.00 0.00 O ATOM 1088 CB LEU A 73 10.511 -0.314 -7.608 1.00 0.00 C ATOM 1089 CG LEU A 73 9.436 0.217 -6.658 1.00 0.00 C ATOM 1090 CD1 LEU A 73 9.972 0.324 -5.229 1.00 0.00 C ATOM 1091 CD2 LEU A 73 8.869 1.547 -7.159 1.00 0.00 C ATOM 0 H LEU A 73 10.115 1.041 -9.633 1.00 0.00 H new ATOM 0 HA LEU A 73 11.657 1.428 -7.303 1.00 0.00 H new ATOM 0 HB2 LEU A 73 10.017 -0.765 -8.469 1.00 0.00 H new ATOM 0 HB3 LEU A 73 11.055 -1.110 -7.100 1.00 0.00 H new ATOM 0 HG LEU A 73 8.613 -0.497 -6.641 1.00 0.00 H new ATOM 0 HD11 LEU A 73 9.188 0.704 -4.574 1.00 0.00 H new ATOM 0 HD12 LEU A 73 10.288 -0.661 -4.884 1.00 0.00 H new ATOM 0 HD13 LEU A 73 10.823 1.005 -5.210 1.00 0.00 H new ATOM 0 HD21 LEU A 73 8.107 1.902 -6.465 1.00 0.00 H new ATOM 0 HD22 LEU A 73 9.671 2.283 -7.225 1.00 0.00 H new ATOM 0 HD23 LEU A 73 8.425 1.405 -8.144 1.00 0.00 H new ATOM 1103 N THR A 74 13.917 0.735 -7.832 1.00 0.00 N ATOM 1104 CA THR A 74 15.283 0.281 -8.032 1.00 0.00 C ATOM 1105 C THR A 74 15.568 -0.949 -7.167 1.00 0.00 C ATOM 1106 O THR A 74 14.652 -1.526 -6.583 1.00 0.00 O ATOM 1107 CB THR A 74 16.219 1.457 -7.744 1.00 0.00 C ATOM 1108 OG1 THR A 74 16.449 1.381 -6.339 1.00 0.00 O ATOM 1109 CG2 THR A 74 15.534 2.811 -7.937 1.00 0.00 C ATOM 0 H THR A 74 13.822 1.542 -7.215 1.00 0.00 H new ATOM 0 HA THR A 74 15.447 -0.039 -9.061 1.00 0.00 H new ATOM 0 HB THR A 74 17.091 1.395 -8.395 1.00 0.00 H new ATOM 0 HG1 THR A 74 16.235 2.243 -5.925 1.00 0.00 H new ATOM 0 HG21 THR A 74 16.242 3.611 -7.720 1.00 0.00 H new ATOM 0 HG22 THR A 74 15.189 2.901 -8.967 1.00 0.00 H new ATOM 0 HG23 THR A 74 14.682 2.887 -7.262 1.00 0.00 H new ATOM 1117 N GLU A 75 16.841 -1.313 -7.113 1.00 0.00 N ATOM 1118 CA GLU A 75 17.257 -2.463 -6.330 1.00 0.00 C ATOM 1119 C GLU A 75 17.106 -2.171 -4.836 1.00 0.00 C ATOM 1120 O GLU A 75 16.633 -3.017 -4.079 1.00 0.00 O ATOM 1121 CB GLU A 75 18.695 -2.864 -6.668 1.00 0.00 C ATOM 1122 CG GLU A 75 18.720 -4.045 -7.640 1.00 0.00 C ATOM 1123 CD GLU A 75 19.610 -3.741 -8.848 1.00 0.00 C ATOM 1124 OE1 GLU A 75 20.837 -3.936 -8.711 1.00 0.00 O ATOM 1125 OE2 GLU A 75 19.043 -3.322 -9.879 1.00 0.00 O ATOM 0 H GLU A 75 17.598 -0.831 -7.599 1.00 0.00 H new ATOM 0 HA GLU A 75 16.611 -3.304 -6.583 1.00 0.00 H new ATOM 0 HB2 GLU A 75 19.219 -2.015 -7.107 1.00 0.00 H new ATOM 0 HB3 GLU A 75 19.227 -3.129 -5.754 1.00 0.00 H new ATOM 0 HG2 GLU A 75 19.087 -4.935 -7.128 1.00 0.00 H new ATOM 0 HG3 GLU A 75 17.707 -4.266 -7.976 1.00 0.00 H new ATOM 1132 N LYS A 76 17.517 -0.970 -4.456 1.00 0.00 N ATOM 1133 CA LYS A 76 17.433 -0.555 -3.066 1.00 0.00 C ATOM 1134 C LYS A 76 16.015 -0.804 -2.549 1.00 0.00 C ATOM 1135 O LYS A 76 15.831 -1.425 -1.503 1.00 0.00 O ATOM 1136 CB LYS A 76 17.900 0.893 -2.909 1.00 0.00 C ATOM 1137 CG LYS A 76 16.825 1.746 -2.232 1.00 0.00 C ATOM 1138 CD LYS A 76 17.283 3.199 -2.094 1.00 0.00 C ATOM 1139 CE LYS A 76 18.281 3.352 -0.945 1.00 0.00 C ATOM 1140 NZ LYS A 76 18.142 4.682 -0.311 1.00 0.00 N ATOM 0 H LYS A 76 17.909 -0.271 -5.087 1.00 0.00 H new ATOM 0 HA LYS A 76 18.107 -1.150 -2.450 1.00 0.00 H new ATOM 0 HB2 LYS A 76 18.816 0.921 -2.319 1.00 0.00 H new ATOM 0 HB3 LYS A 76 18.138 1.310 -3.888 1.00 0.00 H new ATOM 0 HG2 LYS A 76 15.904 1.705 -2.814 1.00 0.00 H new ATOM 0 HG3 LYS A 76 16.599 1.337 -1.247 1.00 0.00 H new ATOM 0 HD2 LYS A 76 17.742 3.529 -3.026 1.00 0.00 H new ATOM 0 HD3 LYS A 76 16.420 3.841 -1.919 1.00 0.00 H new ATOM 0 HE2 LYS A 76 18.114 2.570 -0.204 1.00 0.00 H new ATOM 0 HE3 LYS A 76 19.297 3.225 -1.319 1.00 0.00 H new ATOM 0 HZ1 LYS A 76 18.827 4.769 0.467 1.00 0.00 H new ATOM 0 HZ2 LYS A 76 18.324 5.424 -1.017 1.00 0.00 H new ATOM 0 HZ3 LYS A 76 17.178 4.789 0.063 1.00 0.00 H new ATOM 1154 N GLU A 77 15.048 -0.305 -3.305 1.00 0.00 N ATOM 1155 CA GLU A 77 13.651 -0.465 -2.936 1.00 0.00 C ATOM 1156 C GLU A 77 13.178 -1.885 -3.252 1.00 0.00 C ATOM 1157 O GLU A 77 12.510 -2.517 -2.436 1.00 0.00 O ATOM 1158 CB GLU A 77 12.776 0.574 -3.640 1.00 0.00 C ATOM 1159 CG GLU A 77 13.283 0.849 -5.057 1.00 0.00 C ATOM 1160 CD GLU A 77 13.898 2.246 -5.158 1.00 0.00 C ATOM 1161 OE1 GLU A 77 15.046 2.397 -4.688 1.00 0.00 O ATOM 1162 OE2 GLU A 77 13.206 3.133 -5.704 1.00 0.00 O ATOM 0 H GLU A 77 15.204 0.210 -4.171 1.00 0.00 H new ATOM 0 HA GLU A 77 13.558 -0.303 -1.862 1.00 0.00 H new ATOM 0 HB2 GLU A 77 11.746 0.219 -3.681 1.00 0.00 H new ATOM 0 HB3 GLU A 77 12.772 1.500 -3.065 1.00 0.00 H new ATOM 0 HG2 GLU A 77 14.025 0.100 -5.333 1.00 0.00 H new ATOM 0 HG3 GLU A 77 12.460 0.758 -5.766 1.00 0.00 H new ATOM 1169 N ILE A 78 13.544 -2.346 -4.439 1.00 0.00 N ATOM 1170 CA ILE A 78 13.165 -3.680 -4.874 1.00 0.00 C ATOM 1171 C ILE A 78 13.512 -4.687 -3.775 1.00 0.00 C ATOM 1172 O ILE A 78 12.839 -5.705 -3.626 1.00 0.00 O ATOM 1173 CB ILE A 78 13.801 -4.004 -6.227 1.00 0.00 C ATOM 1174 CG1 ILE A 78 13.021 -3.350 -7.369 1.00 0.00 C ATOM 1175 CG2 ILE A 78 13.940 -5.515 -6.420 1.00 0.00 C ATOM 1176 CD1 ILE A 78 12.273 -4.399 -8.194 1.00 0.00 C ATOM 0 H ILE A 78 14.099 -1.819 -5.113 1.00 0.00 H new ATOM 0 HA ILE A 78 12.088 -3.737 -5.032 1.00 0.00 H new ATOM 0 HB ILE A 78 14.807 -3.584 -6.241 1.00 0.00 H new ATOM 0 HG12 ILE A 78 12.312 -2.628 -6.963 1.00 0.00 H new ATOM 0 HG13 ILE A 78 13.706 -2.797 -8.012 1.00 0.00 H new ATOM 0 HG21 ILE A 78 14.395 -5.718 -7.390 1.00 0.00 H new ATOM 0 HG22 ILE A 78 14.570 -5.926 -5.631 1.00 0.00 H new ATOM 0 HG23 ILE A 78 12.955 -5.979 -6.377 1.00 0.00 H new ATOM 0 HD11 ILE A 78 11.727 -3.907 -8.999 1.00 0.00 H new ATOM 0 HD12 ILE A 78 12.987 -5.105 -8.618 1.00 0.00 H new ATOM 0 HD13 ILE A 78 11.571 -4.933 -7.553 1.00 0.00 H new ATOM 1188 N ASN A 79 14.562 -4.367 -3.033 1.00 0.00 N ATOM 1189 CA ASN A 79 15.007 -5.230 -1.953 1.00 0.00 C ATOM 1190 C ASN A 79 14.186 -4.932 -0.697 1.00 0.00 C ATOM 1191 O ASN A 79 13.741 -5.850 -0.009 1.00 0.00 O ATOM 1192 CB ASN A 79 16.481 -4.986 -1.623 1.00 0.00 C ATOM 1193 CG ASN A 79 17.388 -5.862 -2.489 1.00 0.00 C ATOM 1194 OD1 ASN A 79 17.271 -7.076 -2.527 1.00 0.00 O ATOM 1195 ND2 ASN A 79 18.298 -5.181 -3.180 1.00 0.00 N ATOM 0 H ASN A 79 15.118 -3.521 -3.159 1.00 0.00 H new ATOM 0 HA ASN A 79 14.876 -6.264 -2.272 1.00 0.00 H new ATOM 0 HB2 ASN A 79 16.724 -3.935 -1.782 1.00 0.00 H new ATOM 0 HB3 ASN A 79 16.662 -5.199 -0.569 1.00 0.00 H new ATOM 0 HD21 ASN A 79 18.952 -5.675 -3.787 1.00 0.00 H new ATOM 0 HD22 ASN A 79 18.342 -4.165 -3.103 1.00 0.00 H new ATOM 1202 N THR A 80 14.010 -3.645 -0.435 1.00 0.00 N ATOM 1203 CA THR A 80 13.250 -3.214 0.726 1.00 0.00 C ATOM 1204 C THR A 80 11.751 -3.394 0.479 1.00 0.00 C ATOM 1205 O THR A 80 11.038 -3.926 1.329 1.00 0.00 O ATOM 1206 CB THR A 80 13.645 -1.770 1.040 1.00 0.00 C ATOM 1207 OG1 THR A 80 14.980 -1.873 1.528 1.00 0.00 O ATOM 1208 CG2 THR A 80 12.861 -1.192 2.220 1.00 0.00 C ATOM 0 H THR A 80 14.381 -2.886 -1.007 1.00 0.00 H new ATOM 0 HA THR A 80 13.479 -3.826 1.598 1.00 0.00 H new ATOM 0 HB THR A 80 13.484 -1.150 0.158 1.00 0.00 H new ATOM 0 HG1 THR A 80 15.609 -1.773 0.783 1.00 0.00 H new ATOM 0 HG21 THR A 80 13.180 -0.165 2.401 1.00 0.00 H new ATOM 0 HG22 THR A 80 11.795 -1.206 1.991 1.00 0.00 H new ATOM 0 HG23 THR A 80 13.048 -1.792 3.110 1.00 0.00 H new ATOM 1216 N LEU A 81 11.317 -2.940 -0.687 1.00 0.00 N ATOM 1217 CA LEU A 81 9.916 -3.044 -1.056 1.00 0.00 C ATOM 1218 C LEU A 81 9.494 -4.515 -1.032 1.00 0.00 C ATOM 1219 O LEU A 81 8.533 -4.878 -0.355 1.00 0.00 O ATOM 1220 CB LEU A 81 9.662 -2.354 -2.398 1.00 0.00 C ATOM 1221 CG LEU A 81 8.370 -2.743 -3.119 1.00 0.00 C ATOM 1222 CD1 LEU A 81 7.224 -2.936 -2.123 1.00 0.00 C ATOM 1223 CD2 LEU A 81 8.020 -1.723 -4.205 1.00 0.00 C ATOM 0 H LEU A 81 11.911 -2.499 -1.389 1.00 0.00 H new ATOM 0 HA LEU A 81 9.292 -2.521 -0.331 1.00 0.00 H new ATOM 0 HB2 LEU A 81 9.653 -1.276 -2.234 1.00 0.00 H new ATOM 0 HB3 LEU A 81 10.502 -2.568 -3.059 1.00 0.00 H new ATOM 0 HG LEU A 81 8.530 -3.700 -3.616 1.00 0.00 H new ATOM 0 HD11 LEU A 81 6.317 -3.212 -2.661 1.00 0.00 H new ATOM 0 HD12 LEU A 81 7.483 -3.727 -1.419 1.00 0.00 H new ATOM 0 HD13 LEU A 81 7.055 -2.007 -1.579 1.00 0.00 H new ATOM 0 HD21 LEU A 81 7.098 -2.023 -4.702 1.00 0.00 H new ATOM 0 HD22 LEU A 81 7.885 -0.741 -3.752 1.00 0.00 H new ATOM 0 HD23 LEU A 81 8.828 -1.678 -4.936 1.00 0.00 H new ATOM 1235 N ASN A 82 10.234 -5.322 -1.778 1.00 0.00 N ATOM 1236 CA ASN A 82 9.949 -6.745 -1.851 1.00 0.00 C ATOM 1237 C ASN A 82 9.704 -7.284 -0.440 1.00 0.00 C ATOM 1238 O ASN A 82 8.687 -7.928 -0.185 1.00 0.00 O ATOM 1239 CB ASN A 82 11.127 -7.513 -2.452 1.00 0.00 C ATOM 1240 CG ASN A 82 11.052 -7.524 -3.980 1.00 0.00 C ATOM 1241 OD1 ASN A 82 10.525 -6.421 -4.504 1.00 0.00 O flip ATOM 1242 ND2 ASN A 82 11.446 -8.472 -4.640 1.00 0.00 N flip ATOM 0 H ASN A 82 11.031 -5.017 -2.337 1.00 0.00 H new ATOM 0 HA ASN A 82 9.071 -6.881 -2.482 1.00 0.00 H new ATOM 0 HB2 ASN A 82 12.064 -7.056 -2.134 1.00 0.00 H new ATOM 0 HB3 ASN A 82 11.128 -8.536 -2.077 1.00 0.00 H new ATOM 0 HD21 ASN A 82 11.841 -9.289 -4.174 1.00 0.00 H new ATOM 0 HD22 ASN A 82 11.381 -8.447 -5.658 1.00 0.00 H new ATOM 1249 N ASP A 83 10.653 -7.001 0.440 1.00 0.00 N ATOM 1250 CA ASP A 83 10.553 -7.450 1.819 1.00 0.00 C ATOM 1251 C ASP A 83 9.342 -6.789 2.479 1.00 0.00 C ATOM 1252 O ASP A 83 8.636 -7.421 3.264 1.00 0.00 O ATOM 1253 CB ASP A 83 11.798 -7.059 2.617 1.00 0.00 C ATOM 1254 CG ASP A 83 12.526 -8.223 3.291 1.00 0.00 C ATOM 1255 OD1 ASP A 83 11.929 -9.320 3.329 1.00 0.00 O ATOM 1256 OD2 ASP A 83 13.664 -7.990 3.755 1.00 0.00 O ATOM 0 H ASP A 83 11.495 -6.467 0.225 1.00 0.00 H new ATOM 0 HA ASP A 83 10.454 -8.535 1.814 1.00 0.00 H new ATOM 0 HB2 ASP A 83 12.495 -6.552 1.949 1.00 0.00 H new ATOM 0 HB3 ASP A 83 11.509 -6.339 3.382 1.00 0.00 H new ATOM 1261 N TRP A 84 9.137 -5.525 2.137 1.00 0.00 N ATOM 1262 CA TRP A 84 8.023 -4.772 2.686 1.00 0.00 C ATOM 1263 C TRP A 84 6.730 -5.495 2.307 1.00 0.00 C ATOM 1264 O TRP A 84 5.844 -5.669 3.142 1.00 0.00 O ATOM 1265 CB TRP A 84 8.057 -3.318 2.211 1.00 0.00 C ATOM 1266 CG TRP A 84 8.608 -2.336 3.247 1.00 0.00 C ATOM 1267 CD1 TRP A 84 9.501 -1.354 3.060 1.00 0.00 C ATOM 1268 CD2 TRP A 84 8.265 -2.282 4.647 1.00 0.00 C ATOM 1269 NE1 TRP A 84 9.757 -0.674 4.232 1.00 0.00 N ATOM 1270 CE2 TRP A 84 8.981 -1.255 5.229 1.00 0.00 C ATOM 1271 CE3 TRP A 84 7.378 -3.073 5.398 1.00 0.00 C ATOM 1272 CZ2 TRP A 84 8.885 -0.926 6.586 1.00 0.00 C ATOM 1273 CZ3 TRP A 84 7.294 -2.732 6.753 1.00 0.00 C ATOM 1274 CH2 TRP A 84 8.008 -1.702 7.354 1.00 0.00 C ATOM 0 H TRP A 84 9.724 -5.004 1.486 1.00 0.00 H new ATOM 0 HA TRP A 84 8.088 -4.724 3.773 1.00 0.00 H new ATOM 0 HB2 TRP A 84 8.664 -3.256 1.308 1.00 0.00 H new ATOM 0 HB3 TRP A 84 7.047 -3.012 1.937 1.00 0.00 H new ATOM 0 HD1 TRP A 84 9.962 -1.124 2.111 1.00 0.00 H new ATOM 0 HE1 TRP A 84 10.398 0.111 4.347 1.00 0.00 H new ATOM 0 HE3 TRP A 84 6.807 -3.880 4.964 1.00 0.00 H new ATOM 0 HZ2 TRP A 84 9.456 -0.117 7.017 1.00 0.00 H new ATOM 0 HZ3 TRP A 84 6.627 -3.310 7.376 1.00 0.00 H new ATOM 0 HH2 TRP A 84 7.887 -1.501 8.408 1.00 0.00 H new ATOM 1285 N GLU A 85 6.662 -5.897 1.046 1.00 0.00 N ATOM 1286 CA GLU A 85 5.492 -6.598 0.546 1.00 0.00 C ATOM 1287 C GLU A 85 5.295 -7.911 1.306 1.00 0.00 C ATOM 1288 O GLU A 85 4.194 -8.203 1.772 1.00 0.00 O ATOM 1289 CB GLU A 85 5.604 -6.848 -0.960 1.00 0.00 C ATOM 1290 CG GLU A 85 4.760 -8.052 -1.380 1.00 0.00 C ATOM 1291 CD GLU A 85 5.144 -8.528 -2.783 1.00 0.00 C ATOM 1292 OE1 GLU A 85 6.162 -9.248 -2.879 1.00 0.00 O ATOM 1293 OE2 GLU A 85 4.411 -8.162 -3.727 1.00 0.00 O ATOM 0 H GLU A 85 7.399 -5.750 0.356 1.00 0.00 H new ATOM 0 HA GLU A 85 4.617 -5.969 0.713 1.00 0.00 H new ATOM 0 HB2 GLU A 85 5.277 -5.962 -1.505 1.00 0.00 H new ATOM 0 HB3 GLU A 85 6.647 -7.019 -1.227 1.00 0.00 H new ATOM 0 HG2 GLU A 85 4.898 -8.864 -0.666 1.00 0.00 H new ATOM 0 HG3 GLU A 85 3.703 -7.785 -1.359 1.00 0.00 H new ATOM 1300 N THR A 86 6.377 -8.668 1.407 1.00 0.00 N ATOM 1301 CA THR A 86 6.337 -9.943 2.103 1.00 0.00 C ATOM 1302 C THR A 86 5.932 -9.741 3.564 1.00 0.00 C ATOM 1303 O THR A 86 5.281 -10.600 4.157 1.00 0.00 O ATOM 1304 CB THR A 86 7.701 -10.616 1.937 1.00 0.00 C ATOM 1305 OG1 THR A 86 7.635 -11.222 0.649 1.00 0.00 O ATOM 1306 CG2 THR A 86 7.893 -11.794 2.894 1.00 0.00 C ATOM 0 H THR A 86 7.288 -8.423 1.018 1.00 0.00 H new ATOM 0 HA THR A 86 5.580 -10.602 1.678 1.00 0.00 H new ATOM 0 HB THR A 86 8.490 -9.882 2.102 1.00 0.00 H new ATOM 0 HG1 THR A 86 8.480 -11.680 0.459 1.00 0.00 H new ATOM 0 HG21 THR A 86 8.877 -12.236 2.735 1.00 0.00 H new ATOM 0 HG22 THR A 86 7.815 -11.443 3.923 1.00 0.00 H new ATOM 0 HG23 THR A 86 7.124 -12.544 2.707 1.00 0.00 H new ATOM 1314 N LYS A 87 6.335 -8.600 4.104 1.00 0.00 N ATOM 1315 CA LYS A 87 6.023 -8.273 5.485 1.00 0.00 C ATOM 1316 C LYS A 87 4.558 -7.846 5.585 1.00 0.00 C ATOM 1317 O LYS A 87 3.867 -8.201 6.539 1.00 0.00 O ATOM 1318 CB LYS A 87 7.006 -7.232 6.025 1.00 0.00 C ATOM 1319 CG LYS A 87 8.437 -7.773 6.017 1.00 0.00 C ATOM 1320 CD LYS A 87 9.453 -6.632 5.929 1.00 0.00 C ATOM 1321 CE LYS A 87 10.706 -6.950 6.748 1.00 0.00 C ATOM 1322 NZ LYS A 87 10.478 -6.653 8.180 1.00 0.00 N ATOM 0 H LYS A 87 6.875 -7.890 3.610 1.00 0.00 H new ATOM 0 HA LYS A 87 6.144 -9.150 6.121 1.00 0.00 H new ATOM 0 HB2 LYS A 87 6.952 -6.327 5.419 1.00 0.00 H new ATOM 0 HB3 LYS A 87 6.725 -6.953 7.040 1.00 0.00 H new ATOM 0 HG2 LYS A 87 8.615 -8.355 6.922 1.00 0.00 H new ATOM 0 HG3 LYS A 87 8.570 -8.449 5.172 1.00 0.00 H new ATOM 0 HD2 LYS A 87 9.728 -6.464 4.888 1.00 0.00 H new ATOM 0 HD3 LYS A 87 9.001 -5.709 6.292 1.00 0.00 H new ATOM 0 HE2 LYS A 87 10.971 -8.000 6.626 1.00 0.00 H new ATOM 0 HE3 LYS A 87 11.548 -6.364 6.378 1.00 0.00 H new ATOM 0 HZ1 LYS A 87 11.338 -6.874 8.722 1.00 0.00 H new ATOM 0 HZ2 LYS A 87 10.247 -5.645 8.293 1.00 0.00 H new ATOM 0 HZ3 LYS A 87 9.688 -7.231 8.533 1.00 0.00 H new ATOM 1336 N PHE A 88 4.126 -7.090 4.586 1.00 0.00 N ATOM 1337 CA PHE A 88 2.755 -6.610 4.550 1.00 0.00 C ATOM 1338 C PHE A 88 1.801 -7.710 4.078 1.00 0.00 C ATOM 1339 O PHE A 88 0.702 -7.854 4.611 1.00 0.00 O ATOM 1340 CB PHE A 88 2.712 -5.452 3.551 1.00 0.00 C ATOM 1341 CG PHE A 88 2.485 -4.083 4.195 1.00 0.00 C ATOM 1342 CD1 PHE A 88 3.248 -3.692 5.251 1.00 0.00 C ATOM 1343 CD2 PHE A 88 1.519 -3.256 3.711 1.00 0.00 C ATOM 1344 CE1 PHE A 88 3.037 -2.422 5.848 1.00 0.00 C ATOM 1345 CE2 PHE A 88 1.308 -1.985 4.309 1.00 0.00 C ATOM 1346 CZ PHE A 88 2.071 -1.595 5.365 1.00 0.00 C ATOM 0 H PHE A 88 4.701 -6.798 3.796 1.00 0.00 H new ATOM 0 HA PHE A 88 2.444 -6.299 5.547 1.00 0.00 H new ATOM 0 HB2 PHE A 88 3.650 -5.430 2.996 1.00 0.00 H new ATOM 0 HB3 PHE A 88 1.918 -5.638 2.828 1.00 0.00 H new ATOM 0 HD1 PHE A 88 4.015 -4.348 5.635 1.00 0.00 H new ATOM 0 HD2 PHE A 88 0.913 -3.566 2.872 1.00 0.00 H new ATOM 0 HE1 PHE A 88 3.644 -2.112 6.686 1.00 0.00 H new ATOM 0 HE2 PHE A 88 0.541 -1.328 3.925 1.00 0.00 H new ATOM 0 HZ PHE A 88 1.910 -0.629 5.820 1.00 0.00 H new ATOM 1356 N GLU A 89 2.257 -8.457 3.083 1.00 0.00 N ATOM 1357 CA GLU A 89 1.459 -9.540 2.534 1.00 0.00 C ATOM 1358 C GLU A 89 1.389 -10.704 3.524 1.00 0.00 C ATOM 1359 O GLU A 89 0.402 -11.437 3.557 1.00 0.00 O ATOM 1360 CB GLU A 89 2.014 -10.000 1.185 1.00 0.00 C ATOM 1361 CG GLU A 89 1.961 -11.524 1.061 1.00 0.00 C ATOM 1362 CD GLU A 89 3.197 -12.169 1.692 1.00 0.00 C ATOM 1363 OE1 GLU A 89 4.255 -12.136 1.028 1.00 0.00 O ATOM 1364 OE2 GLU A 89 3.055 -12.681 2.823 1.00 0.00 O ATOM 0 H GLU A 89 3.169 -8.333 2.643 1.00 0.00 H new ATOM 0 HA GLU A 89 0.447 -9.171 2.367 1.00 0.00 H new ATOM 0 HB2 GLU A 89 1.440 -9.546 0.378 1.00 0.00 H new ATOM 0 HB3 GLU A 89 3.043 -9.658 1.076 1.00 0.00 H new ATOM 0 HG2 GLU A 89 1.061 -11.901 1.547 1.00 0.00 H new ATOM 0 HG3 GLU A 89 1.896 -11.805 0.010 1.00 0.00 H new ATOM 1371 N ALA A 90 2.449 -10.836 4.308 1.00 0.00 N ATOM 1372 CA ALA A 90 2.521 -11.899 5.296 1.00 0.00 C ATOM 1373 C ALA A 90 1.881 -11.419 6.601 1.00 0.00 C ATOM 1374 O ALA A 90 1.844 -12.155 7.586 1.00 0.00 O ATOM 1375 CB ALA A 90 3.978 -12.325 5.484 1.00 0.00 C ATOM 0 H ALA A 90 3.265 -10.225 4.279 1.00 0.00 H new ATOM 0 HA ALA A 90 1.967 -12.775 4.958 1.00 0.00 H new ATOM 0 HB1 ALA A 90 4.031 -13.122 6.225 1.00 0.00 H new ATOM 0 HB2 ALA A 90 4.377 -12.684 4.535 1.00 0.00 H new ATOM 0 HB3 ALA A 90 4.565 -11.472 5.825 1.00 0.00 H new ATOM 1381 N LYS A 91 1.393 -10.188 6.566 1.00 0.00 N ATOM 1382 CA LYS A 91 0.757 -9.601 7.733 1.00 0.00 C ATOM 1383 C LYS A 91 -0.636 -9.096 7.350 1.00 0.00 C ATOM 1384 O LYS A 91 -1.643 -9.649 7.790 1.00 0.00 O ATOM 1385 CB LYS A 91 1.654 -8.525 8.348 1.00 0.00 C ATOM 1386 CG LYS A 91 2.821 -9.154 9.112 1.00 0.00 C ATOM 1387 CD LYS A 91 2.870 -8.646 10.554 1.00 0.00 C ATOM 1388 CE LYS A 91 2.770 -9.805 11.547 1.00 0.00 C ATOM 1389 NZ LYS A 91 1.764 -9.507 12.591 1.00 0.00 N ATOM 0 H LYS A 91 1.425 -9.581 5.747 1.00 0.00 H new ATOM 0 HA LYS A 91 0.621 -10.352 8.511 1.00 0.00 H new ATOM 0 HB2 LYS A 91 2.038 -7.874 7.562 1.00 0.00 H new ATOM 0 HB3 LYS A 91 1.068 -7.900 9.022 1.00 0.00 H new ATOM 0 HG2 LYS A 91 2.720 -10.239 9.108 1.00 0.00 H new ATOM 0 HG3 LYS A 91 3.759 -8.920 8.608 1.00 0.00 H new ATOM 0 HD2 LYS A 91 3.799 -8.100 10.720 1.00 0.00 H new ATOM 0 HD3 LYS A 91 2.053 -7.945 10.724 1.00 0.00 H new ATOM 0 HE2 LYS A 91 2.497 -10.720 11.021 1.00 0.00 H new ATOM 0 HE3 LYS A 91 3.741 -9.981 12.009 1.00 0.00 H new ATOM 0 HZ1 LYS A 91 1.708 -10.304 13.257 1.00 0.00 H new ATOM 0 HZ2 LYS A 91 2.041 -8.646 13.104 1.00 0.00 H new ATOM 0 HZ3 LYS A 91 0.835 -9.362 12.147 1.00 0.00 H new ATOM 1403 N TYR A 92 -0.648 -8.053 6.534 1.00 0.00 N ATOM 1404 CA TYR A 92 -1.900 -7.467 6.087 1.00 0.00 C ATOM 1405 C TYR A 92 -2.552 -8.328 5.003 1.00 0.00 C ATOM 1406 O TYR A 92 -1.887 -8.751 4.058 1.00 0.00 O ATOM 1407 CB TYR A 92 -1.540 -6.105 5.491 1.00 0.00 C ATOM 1408 CG TYR A 92 -1.219 -5.034 6.536 1.00 0.00 C ATOM 1409 CD1 TYR A 92 -2.041 -4.873 7.633 1.00 0.00 C ATOM 1410 CD2 TYR A 92 -0.109 -4.229 6.380 1.00 0.00 C ATOM 1411 CE1 TYR A 92 -1.739 -3.865 8.616 1.00 0.00 C ATOM 1412 CE2 TYR A 92 0.192 -3.221 7.364 1.00 0.00 C ATOM 1413 CZ TYR A 92 -0.638 -3.089 8.433 1.00 0.00 C ATOM 1414 OH TYR A 92 -0.353 -2.137 9.362 1.00 0.00 O ATOM 0 H TYR A 92 0.190 -7.598 6.170 1.00 0.00 H new ATOM 0 HA TYR A 92 -2.604 -7.388 6.916 1.00 0.00 H new ATOM 0 HB2 TYR A 92 -0.680 -6.224 4.832 1.00 0.00 H new ATOM 0 HB3 TYR A 92 -2.369 -5.759 4.874 1.00 0.00 H new ATOM 0 HD1 TYR A 92 -2.910 -5.503 7.754 1.00 0.00 H new ATOM 0 HD2 TYR A 92 0.533 -4.355 5.521 1.00 0.00 H new ATOM 0 HE1 TYR A 92 -2.373 -3.729 9.479 1.00 0.00 H new ATOM 0 HE2 TYR A 92 1.058 -2.584 7.255 1.00 0.00 H new ATOM 0 HH TYR A 92 0.463 -1.660 9.102 1.00 0.00 H new ATOM 1424 N PRO A 93 -3.879 -8.568 5.180 1.00 0.00 N ATOM 1425 CA PRO A 93 -4.627 -9.371 4.228 1.00 0.00 C ATOM 1426 C PRO A 93 -4.906 -8.584 2.946 1.00 0.00 C ATOM 1427 O PRO A 93 -5.260 -7.408 3.001 1.00 0.00 O ATOM 1428 CB PRO A 93 -5.895 -9.774 4.965 1.00 0.00 C ATOM 1429 CG PRO A 93 -6.026 -8.806 6.129 1.00 0.00 C ATOM 1430 CD PRO A 93 -4.698 -8.084 6.287 1.00 0.00 C ATOM 0 HA PRO A 93 -4.077 -10.252 3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 93 -6.763 -9.716 4.309 1.00 0.00 H new ATOM 0 HB3 PRO A 93 -5.831 -10.803 5.318 1.00 0.00 H new ATOM 0 HG2 PRO A 93 -6.829 -8.092 5.943 1.00 0.00 H new ATOM 0 HG3 PRO A 93 -6.281 -9.341 7.044 1.00 0.00 H new ATOM 0 HD2 PRO A 93 -4.827 -7.003 6.241 1.00 0.00 H new ATOM 0 HD3 PRO A 93 -4.237 -8.309 7.249 1.00 0.00 H new ATOM 1438 N VAL A 94 -4.735 -9.266 1.823 1.00 0.00 N ATOM 1439 CA VAL A 94 -4.964 -8.645 0.529 1.00 0.00 C ATOM 1440 C VAL A 94 -6.396 -8.932 0.076 1.00 0.00 C ATOM 1441 O VAL A 94 -6.723 -10.063 -0.282 1.00 0.00 O ATOM 1442 CB VAL A 94 -3.912 -9.123 -0.474 1.00 0.00 C ATOM 1443 CG1 VAL A 94 -3.544 -10.588 -0.225 1.00 0.00 C ATOM 1444 CG2 VAL A 94 -4.391 -8.915 -1.912 1.00 0.00 C ATOM 0 H VAL A 94 -4.441 -10.242 1.782 1.00 0.00 H new ATOM 0 HA VAL A 94 -4.857 -7.563 0.601 1.00 0.00 H new ATOM 0 HB VAL A 94 -3.014 -8.522 -0.330 1.00 0.00 H new ATOM 0 HG11 VAL A 94 -2.795 -10.903 -0.951 1.00 0.00 H new ATOM 0 HG12 VAL A 94 -3.141 -10.696 0.782 1.00 0.00 H new ATOM 0 HG13 VAL A 94 -4.434 -11.209 -0.329 1.00 0.00 H new ATOM 0 HG21 VAL A 94 -3.625 -9.263 -2.605 1.00 0.00 H new ATOM 0 HG22 VAL A 94 -5.310 -9.478 -2.075 1.00 0.00 H new ATOM 0 HG23 VAL A 94 -4.580 -7.855 -2.083 1.00 0.00 H new ATOM 1454 N VAL A 95 -7.214 -7.890 0.107 1.00 0.00 N ATOM 1455 CA VAL A 95 -8.604 -8.017 -0.295 1.00 0.00 C ATOM 1456 C VAL A 95 -8.710 -7.834 -1.811 1.00 0.00 C ATOM 1457 O VAL A 95 -9.808 -7.842 -2.365 1.00 0.00 O ATOM 1458 CB VAL A 95 -9.468 -7.026 0.488 1.00 0.00 C ATOM 1459 CG1 VAL A 95 -9.245 -7.176 1.994 1.00 0.00 C ATOM 1460 CG2 VAL A 95 -9.202 -5.589 0.034 1.00 0.00 C ATOM 0 H VAL A 95 -6.940 -6.954 0.405 1.00 0.00 H new ATOM 0 HA VAL A 95 -8.980 -9.013 -0.060 1.00 0.00 H new ATOM 0 HB VAL A 95 -10.513 -7.255 0.280 1.00 0.00 H new ATOM 0 HG11 VAL A 95 -9.871 -6.460 2.528 1.00 0.00 H new ATOM 0 HG12 VAL A 95 -9.508 -8.188 2.302 1.00 0.00 H new ATOM 0 HG13 VAL A 95 -8.197 -6.987 2.227 1.00 0.00 H new ATOM 0 HG21 VAL A 95 -9.829 -4.905 0.606 1.00 0.00 H new ATOM 0 HG22 VAL A 95 -8.153 -5.344 0.199 1.00 0.00 H new ATOM 0 HG23 VAL A 95 -9.435 -5.493 -1.027 1.00 0.00 H new ATOM 1470 N GLY A 96 -7.554 -7.675 -2.438 1.00 0.00 N ATOM 1471 CA GLY A 96 -7.502 -7.491 -3.878 1.00 0.00 C ATOM 1472 C GLY A 96 -6.131 -6.973 -4.317 1.00 0.00 C ATOM 1473 O GLY A 96 -5.292 -6.643 -3.480 1.00 0.00 O ATOM 0 H GLY A 96 -6.645 -7.670 -1.975 1.00 0.00 H new ATOM 0 HA2 GLY A 96 -7.714 -8.437 -4.377 1.00 0.00 H new ATOM 0 HA3 GLY A 96 -8.276 -6.788 -4.186 1.00 0.00 H new ATOM 1477 N ARG A 97 -5.946 -6.919 -5.628 1.00 0.00 N ATOM 1478 CA ARG A 97 -4.691 -6.447 -6.187 1.00 0.00 C ATOM 1479 C ARG A 97 -4.936 -5.243 -7.099 1.00 0.00 C ATOM 1480 O ARG A 97 -5.795 -5.290 -7.978 1.00 0.00 O ATOM 1481 CB ARG A 97 -3.995 -7.550 -6.987 1.00 0.00 C ATOM 1482 CG ARG A 97 -4.314 -7.431 -8.478 1.00 0.00 C ATOM 1483 CD ARG A 97 -5.775 -7.791 -8.756 1.00 0.00 C ATOM 1484 NE ARG A 97 -5.852 -8.790 -9.846 1.00 0.00 N ATOM 1485 CZ ARG A 97 -5.520 -10.081 -9.706 1.00 0.00 C ATOM 1486 NH1 ARG A 97 -5.088 -10.537 -8.523 1.00 0.00 N ATOM 1487 NH2 ARG A 97 -5.621 -10.915 -10.750 1.00 0.00 N ATOM 0 H ARG A 97 -6.644 -7.194 -6.319 1.00 0.00 H new ATOM 0 HA ARG A 97 -4.048 -6.154 -5.357 1.00 0.00 H new ATOM 0 HB2 ARG A 97 -2.917 -7.489 -6.836 1.00 0.00 H new ATOM 0 HB3 ARG A 97 -4.313 -8.526 -6.620 1.00 0.00 H new ATOM 0 HG2 ARG A 97 -4.116 -6.414 -8.816 1.00 0.00 H new ATOM 0 HG3 ARG A 97 -3.659 -8.090 -9.048 1.00 0.00 H new ATOM 0 HD2 ARG A 97 -6.238 -8.189 -7.853 1.00 0.00 H new ATOM 0 HD3 ARG A 97 -6.332 -6.896 -9.032 1.00 0.00 H new ATOM 0 HE ARG A 97 -6.178 -8.476 -10.760 1.00 0.00 H new ATOM 0 HH11 ARG A 97 -5.012 -9.902 -7.729 1.00 0.00 H new ATOM 0 HH12 ARG A 97 -4.835 -11.519 -8.417 1.00 0.00 H new ATOM 0 HH21 ARG A 97 -5.950 -10.567 -11.651 1.00 0.00 H new ATOM 0 HH22 ARG A 97 -5.368 -11.898 -10.644 1.00 0.00 H new ATOM 1501 N VAL A 98 -4.165 -4.192 -6.858 1.00 0.00 N ATOM 1502 CA VAL A 98 -4.288 -2.978 -7.647 1.00 0.00 C ATOM 1503 C VAL A 98 -4.239 -3.333 -9.134 1.00 0.00 C ATOM 1504 O VAL A 98 -3.597 -4.309 -9.522 1.00 0.00 O ATOM 1505 CB VAL A 98 -3.207 -1.976 -7.236 1.00 0.00 C ATOM 1506 CG1 VAL A 98 -3.147 -0.802 -8.215 1.00 0.00 C ATOM 1507 CG2 VAL A 98 -3.431 -1.484 -5.804 1.00 0.00 C ATOM 0 H VAL A 98 -3.453 -4.156 -6.128 1.00 0.00 H new ATOM 0 HA VAL A 98 -5.248 -2.497 -7.460 1.00 0.00 H new ATOM 0 HB VAL A 98 -2.246 -2.489 -7.268 1.00 0.00 H new ATOM 0 HG11 VAL A 98 -2.371 -0.105 -7.900 1.00 0.00 H new ATOM 0 HG12 VAL A 98 -2.918 -1.173 -9.214 1.00 0.00 H new ATOM 0 HG13 VAL A 98 -4.110 -0.291 -8.230 1.00 0.00 H new ATOM 0 HG21 VAL A 98 -2.649 -0.773 -5.537 1.00 0.00 H new ATOM 0 HG22 VAL A 98 -4.404 -0.997 -5.735 1.00 0.00 H new ATOM 0 HG23 VAL A 98 -3.400 -2.331 -5.119 1.00 0.00 H new ATOM 1517 N VAL A 99 -4.924 -2.523 -9.927 1.00 0.00 N ATOM 1518 CA VAL A 99 -4.967 -2.740 -11.363 1.00 0.00 C ATOM 1519 C VAL A 99 -4.780 -1.402 -12.082 1.00 0.00 C ATOM 1520 O VAL A 99 -3.933 -1.281 -12.965 1.00 0.00 O ATOM 1521 CB VAL A 99 -6.267 -3.449 -11.747 1.00 0.00 C ATOM 1522 CG1 VAL A 99 -6.075 -4.966 -11.779 1.00 0.00 C ATOM 1523 CG2 VAL A 99 -7.404 -3.060 -10.799 1.00 0.00 C ATOM 0 H VAL A 99 -5.454 -1.715 -9.602 1.00 0.00 H new ATOM 0 HA VAL A 99 -4.152 -3.394 -11.675 1.00 0.00 H new ATOM 0 HB VAL A 99 -6.542 -3.125 -12.751 1.00 0.00 H new ATOM 0 HG11 VAL A 99 -7.014 -5.446 -12.055 1.00 0.00 H new ATOM 0 HG12 VAL A 99 -5.309 -5.220 -12.511 1.00 0.00 H new ATOM 0 HG13 VAL A 99 -5.765 -5.314 -10.794 1.00 0.00 H new ATOM 0 HG21 VAL A 99 -8.317 -3.578 -11.094 1.00 0.00 H new ATOM 0 HG22 VAL A 99 -7.140 -3.342 -9.780 1.00 0.00 H new ATOM 0 HG23 VAL A 99 -7.566 -1.983 -10.847 1.00 0.00 H new ATOM 1533 N SER A 100 -5.586 -0.432 -11.677 1.00 0.00 N ATOM 1534 CA SER A 100 -5.521 0.892 -12.272 1.00 0.00 C ATOM 1535 C SER A 100 -5.294 0.778 -13.780 1.00 0.00 C ATOM 1536 O SER A 100 -5.096 1.784 -14.460 1.00 0.00 O ATOM 1537 CB SER A 100 -4.413 1.730 -11.630 1.00 0.00 C ATOM 1538 OG SER A 100 -4.729 3.119 -11.624 1.00 0.00 O ATOM 0 H SER A 100 -6.288 -0.536 -10.944 1.00 0.00 H new ATOM 0 HA SER A 100 -6.471 1.395 -12.092 1.00 0.00 H new ATOM 0 HB2 SER A 100 -4.249 1.391 -10.607 1.00 0.00 H new ATOM 0 HB3 SER A 100 -3.480 1.573 -12.171 1.00 0.00 H new ATOM 0 HG SER A 100 -3.998 3.619 -11.205 1.00 0.00 H new