USER MOD reduce.3.24.130724 H: found=0, std=0, add=947, rem=0, adj=27 USER MOD reduce.3.24.130724 removed 947 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 118 TYR OH : rot 130:sc= 0.535 USER MOD Set 1.2: A 124 LYS NZ :NH3+ -165:sc= 0.593 (180deg=-0.00648) USER MOD Set 2.1: A 119 GLN : amide:sc= -1.17 K(o=-2.9,f=-5.9!) USER MOD Set 2.2: A 120 THR OG1 : rot 180:sc= -0.494 USER MOD Set 2.3: A 123 GLN :FLIP amide:sc= -1.19 F(o=-6.4!,f=-2.9) USER MOD Set 3.1: A 96 THR OG1 : rot -175:sc= 0.53 USER MOD Set 3.2: A 101 THR OG1 : rot -60:sc= 1.8 USER MOD Set 4.1: A 68 TYR OH : rot 15:sc= -0.0104 USER MOD Set 4.2: A 94 LYS NZ :NH3+ 158:sc= 2.5 (180deg=1.68) USER MOD Set 5.1: A 24 THR OG1 : rot 180:sc= -0.0157 USER MOD Set 5.2: A 27 GLN : amide:sc= 0.222 K(o=0.21,f=-4.7!) USER MOD Set 6.1: A 21 MET CE :methyl 179:sc= -0.313 (180deg=-0.205) USER MOD Set 6.2: A 89 GLN : amide:sc= -0.111 X(o=-0.42,f=-0.06) USER MOD Single : A 20 HIS : no HD1:sc= 0 X(o=0,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 26 GLN :FLIP amide:sc= -0.168 F(o=-2.4,f=-0.17) USER MOD Single : A 37 SER OG : rot 180:sc= 0 USER MOD Single : A 42 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 43 GLN : amide:sc= -0.486 X(o=-0.49,f=0) USER MOD Single : A 44 ASN : amide:sc= 0.0403 K(o=0.04,f=-1.6!) USER MOD Single : A 48 ASN : amide:sc= 1.07 K(o=1.1,f=-0.088) USER MOD Single : A 49 GLN : amide:sc= 0.327 X(o=0.33,f=-0.0078) USER MOD Single : A 52 TYR OH : rot 180:sc= 0 USER MOD Single : A 56 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 58 SER OG : rot 180:sc= 0 USER MOD Single : A 60 THR OG1 : rot 180:sc= 0 USER MOD Single : A 69 SER OG : rot 180:sc= 0.0735 USER MOD Single : A 70 TYR OH : rot 180:sc= 0 USER MOD Single : A 77 GLN : amide:sc= 0 K(o=0,f=-0.61) USER MOD Single : A 80 THR OG1 : rot 180:sc= 0 USER MOD Single : A 85 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 90 THR OG1 : rot 180:sc= 0 USER MOD Single : A 95 TYR OH : rot 180:sc= 0 USER MOD Single : A 97 SER OG : rot 180:sc= 0.0373 USER MOD Single : A 98 GLN : amide:sc= 0 X(o=0,f=-0.31) USER MOD Single : A 100 ASN : amide:sc= -0.427 K(o=-0.43,f=-1.9) USER MOD Single : A 102 LYS NZ :NH3+ -150:sc= 1.15 (180deg=0.582) USER MOD Single : A 104 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 106 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 109 THR OG1 : rot -71:sc= 0.0633 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 GLN : amide:sc= 0 K(o=0,f=-1.1) USER MOD Single : A 114 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 115 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 122 SER OG : rot 180:sc= 0 USER MOD Single : A 130 TYR OH : rot 180:sc= 0 USER MOD Single : A 136 THR OG1 : rot 180:sc= 0 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 19 -12.337 -18.484 0.730 1.00 0.00 N ATOM 2 CA GLY A 19 -13.430 -17.572 1.089 1.00 0.00 C ATOM 3 C GLY A 19 -13.204 -17.001 2.475 1.00 0.00 C ATOM 4 O GLY A 19 -12.055 -16.797 2.864 1.00 0.00 O ATOM 0 HA2 GLY A 19 -13.492 -16.763 0.361 1.00 0.00 H new ATOM 0 HA3 GLY A 19 -14.381 -18.103 1.058 1.00 0.00 H new ATOM 8 N HIS A 20 -14.290 -16.770 3.224 1.00 0.00 N ATOM 9 CA HIS A 20 -14.343 -15.960 4.444 1.00 0.00 C ATOM 10 C HIS A 20 -13.816 -14.528 4.248 1.00 0.00 C ATOM 11 O HIS A 20 -13.405 -14.129 3.153 1.00 0.00 O ATOM 12 CB HIS A 20 -13.699 -16.708 5.636 1.00 0.00 C ATOM 13 CG HIS A 20 -14.693 -17.543 6.399 1.00 0.00 C ATOM 14 ND1 HIS A 20 -14.804 -18.912 6.362 1.00 0.00 N ATOM 15 CD2 HIS A 20 -15.659 -17.071 7.245 1.00 0.00 C ATOM 16 CE1 HIS A 20 -15.798 -19.265 7.194 1.00 0.00 C ATOM 17 NE2 HIS A 20 -16.376 -18.172 7.716 1.00 0.00 N ATOM 0 H HIS A 20 -15.200 -17.163 2.982 1.00 0.00 H new ATOM 0 HA HIS A 20 -15.395 -15.821 4.695 1.00 0.00 H new ATOM 0 HB2 HIS A 20 -12.898 -17.349 5.268 1.00 0.00 H new ATOM 0 HB3 HIS A 20 -13.243 -15.984 6.312 1.00 0.00 H new ATOM 0 HD2 HIS A 20 -15.835 -16.037 7.501 1.00 0.00 H new ATOM 0 HE1 HIS A 20 -16.090 -20.282 7.411 1.00 0.00 H new ATOM 0 HE2 HIS A 20 -17.184 -18.150 8.338 1.00 0.00 H new ATOM 25 N MET A 21 -13.881 -13.743 5.328 1.00 0.00 N ATOM 26 CA MET A 21 -13.263 -12.437 5.498 1.00 0.00 C ATOM 27 C MET A 21 -11.802 -12.526 5.071 1.00 0.00 C ATOM 28 O MET A 21 -10.973 -13.064 5.807 1.00 0.00 O ATOM 29 CB MET A 21 -13.359 -12.006 6.975 1.00 0.00 C ATOM 30 CG MET A 21 -14.653 -11.278 7.342 1.00 0.00 C ATOM 31 SD MET A 21 -14.975 -9.727 6.447 1.00 0.00 S ATOM 32 CE MET A 21 -13.431 -8.807 6.679 1.00 0.00 C ATOM 0 H MET A 21 -14.402 -14.027 6.157 1.00 0.00 H new ATOM 0 HA MET A 21 -13.778 -11.698 4.885 1.00 0.00 H new ATOM 0 HB2 MET A 21 -13.264 -12.890 7.605 1.00 0.00 H new ATOM 0 HB3 MET A 21 -12.514 -11.357 7.206 1.00 0.00 H new ATOM 0 HG2 MET A 21 -15.489 -11.955 7.169 1.00 0.00 H new ATOM 0 HG3 MET A 21 -14.635 -11.061 8.410 1.00 0.00 H new ATOM 0 HE1 MET A 21 -13.497 -7.849 6.163 1.00 0.00 H new ATOM 0 HE2 MET A 21 -13.266 -8.636 7.743 1.00 0.00 H new ATOM 0 HE3 MET A 21 -12.600 -9.382 6.271 1.00 0.00 H new ATOM 42 N LYS A 22 -11.481 -12.006 3.891 1.00 0.00 N ATOM 43 CA LYS A 22 -10.134 -11.896 3.356 1.00 0.00 C ATOM 44 C LYS A 22 -10.126 -10.669 2.442 1.00 0.00 C ATOM 45 O LYS A 22 -11.114 -9.931 2.396 1.00 0.00 O ATOM 46 CB LYS A 22 -9.762 -13.197 2.610 1.00 0.00 C ATOM 47 CG LYS A 22 -8.272 -13.538 2.775 1.00 0.00 C ATOM 48 CD LYS A 22 -7.618 -14.183 1.547 1.00 0.00 C ATOM 49 CE LYS A 22 -8.308 -15.451 1.027 1.00 0.00 C ATOM 50 NZ LYS A 22 -7.613 -15.977 -0.168 1.00 0.00 N ATOM 0 H LYS A 22 -12.186 -11.634 3.255 1.00 0.00 H new ATOM 0 HA LYS A 22 -9.386 -11.769 4.139 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -10.368 -14.020 2.988 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -9.996 -13.089 1.551 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -7.730 -12.624 3.020 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -8.160 -14.212 3.624 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -7.590 -13.448 0.742 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -6.584 -14.426 1.792 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -8.320 -16.210 1.809 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -9.347 -15.230 0.781 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -8.097 -16.835 -0.502 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -7.623 -15.259 -0.920 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -6.629 -16.208 0.076 1.00 0.00 H new ATOM 64 N PHE A 23 -9.035 -10.446 1.718 1.00 0.00 N ATOM 65 CA PHE A 23 -8.931 -9.438 0.675 1.00 0.00 C ATOM 66 C PHE A 23 -8.033 -10.003 -0.436 1.00 0.00 C ATOM 67 O PHE A 23 -7.792 -11.218 -0.495 1.00 0.00 O ATOM 68 CB PHE A 23 -8.456 -8.106 1.287 1.00 0.00 C ATOM 69 CG PHE A 23 -9.480 -7.002 1.109 1.00 0.00 C ATOM 70 CD1 PHE A 23 -9.543 -6.311 -0.110 1.00 0.00 C ATOM 71 CD2 PHE A 23 -10.372 -6.664 2.144 1.00 0.00 C ATOM 72 CE1 PHE A 23 -10.507 -5.308 -0.307 1.00 0.00 C ATOM 73 CE2 PHE A 23 -11.299 -5.618 1.965 1.00 0.00 C ATOM 74 CZ PHE A 23 -11.378 -4.948 0.733 1.00 0.00 C ATOM 0 H PHE A 23 -8.174 -10.978 1.846 1.00 0.00 H new ATOM 0 HA PHE A 23 -9.893 -9.208 0.217 1.00 0.00 H new ATOM 0 HB2 PHE A 23 -8.255 -8.246 2.349 1.00 0.00 H new ATOM 0 HB3 PHE A 23 -7.517 -7.808 0.822 1.00 0.00 H new ATOM 0 HD1 PHE A 23 -8.847 -6.551 -0.901 1.00 0.00 H new ATOM 0 HD2 PHE A 23 -10.346 -7.207 3.077 1.00 0.00 H new ATOM 0 HE1 PHE A 23 -10.578 -4.812 -1.263 1.00 0.00 H new ATOM 0 HE2 PHE A 23 -11.950 -5.331 2.777 1.00 0.00 H new ATOM 0 HZ PHE A 23 -12.104 -4.162 0.587 1.00 0.00 H new ATOM 84 N THR A 24 -7.574 -9.160 -1.352 1.00 0.00 N ATOM 85 CA THR A 24 -6.640 -9.492 -2.408 1.00 0.00 C ATOM 86 C THR A 24 -5.435 -8.561 -2.281 1.00 0.00 C ATOM 87 O THR A 24 -5.600 -7.385 -1.984 1.00 0.00 O ATOM 88 CB THR A 24 -7.375 -9.397 -3.755 1.00 0.00 C ATOM 89 OG1 THR A 24 -8.535 -8.580 -3.726 1.00 0.00 O ATOM 90 CG2 THR A 24 -7.885 -10.780 -4.138 1.00 0.00 C ATOM 0 H THR A 24 -7.859 -8.181 -1.376 1.00 0.00 H new ATOM 0 HA THR A 24 -6.261 -10.512 -2.336 1.00 0.00 H new ATOM 0 HB THR A 24 -6.650 -8.973 -4.449 1.00 0.00 H new ATOM 0 HG1 THR A 24 -8.947 -8.566 -4.615 1.00 0.00 H new ATOM 0 HG21 THR A 24 -8.408 -10.723 -5.093 1.00 0.00 H new ATOM 0 HG22 THR A 24 -7.043 -11.467 -4.226 1.00 0.00 H new ATOM 0 HG23 THR A 24 -8.569 -11.141 -3.370 1.00 0.00 H new ATOM 98 N ASP A 25 -4.220 -9.079 -2.441 1.00 0.00 N ATOM 99 CA ASP A 25 -2.990 -8.375 -2.058 1.00 0.00 C ATOM 100 C ASP A 25 -2.748 -7.190 -2.987 1.00 0.00 C ATOM 101 O ASP A 25 -2.432 -6.091 -2.533 1.00 0.00 O ATOM 102 CB ASP A 25 -1.791 -9.331 -2.077 1.00 0.00 C ATOM 103 CG ASP A 25 -1.938 -10.428 -1.026 1.00 0.00 C ATOM 104 OD1 ASP A 25 -2.621 -11.439 -1.322 1.00 0.00 O ATOM 105 OD2 ASP A 25 -1.542 -10.231 0.144 1.00 0.00 O ATOM 0 H ASP A 25 -4.056 -10.003 -2.841 1.00 0.00 H new ATOM 0 HA ASP A 25 -3.108 -8.000 -1.042 1.00 0.00 H new ATOM 0 HB2 ASP A 25 -1.698 -9.782 -3.065 1.00 0.00 H new ATOM 0 HB3 ASP A 25 -0.874 -8.771 -1.895 1.00 0.00 H new ATOM 110 N GLN A 26 -3.013 -7.393 -4.281 1.00 0.00 N ATOM 111 CA GLN A 26 -3.148 -6.348 -5.289 1.00 0.00 C ATOM 112 C GLN A 26 -4.026 -5.208 -4.757 1.00 0.00 C ATOM 113 O GLN A 26 -3.618 -4.047 -4.803 1.00 0.00 O ATOM 114 CB GLN A 26 -3.745 -7.002 -6.552 1.00 0.00 C ATOM 115 CG GLN A 26 -2.685 -7.682 -7.437 1.00 0.00 C ATOM 116 CD GLN A 26 -1.950 -6.768 -8.418 1.00 0.00 C ATOM 117 OE1 GLN A 26 -2.306 -5.501 -8.539 1.00 0.00 O flip ATOM 118 NE2 GLN A 26 -1.070 -7.206 -9.146 1.00 0.00 N flip ATOM 0 H GLN A 26 -3.144 -8.329 -4.666 1.00 0.00 H new ATOM 0 HA GLN A 26 -2.182 -5.905 -5.533 1.00 0.00 H new ATOM 0 HB2 GLN A 26 -4.490 -7.740 -6.254 1.00 0.00 H new ATOM 0 HB3 GLN A 26 -4.265 -6.243 -7.136 1.00 0.00 H new ATOM 0 HG2 GLN A 26 -1.948 -8.155 -6.789 1.00 0.00 H new ATOM 0 HG3 GLN A 26 -3.169 -8.478 -8.004 1.00 0.00 H new ATOM 0 HE21 GLN A 26 -0.782 -8.181 -9.068 1.00 0.00 H new ATOM 0 HE22 GLN A 26 -0.625 -6.596 -9.832 1.00 0.00 H new ATOM 127 N GLN A 27 -5.207 -5.531 -4.236 1.00 0.00 N ATOM 128 CA GLN A 27 -6.174 -4.572 -3.727 1.00 0.00 C ATOM 129 C GLN A 27 -5.693 -3.900 -2.429 1.00 0.00 C ATOM 130 O GLN A 27 -5.989 -2.719 -2.231 1.00 0.00 O ATOM 131 CB GLN A 27 -7.532 -5.270 -3.517 1.00 0.00 C ATOM 132 CG GLN A 27 -8.377 -5.573 -4.766 1.00 0.00 C ATOM 133 CD GLN A 27 -7.688 -6.186 -5.986 1.00 0.00 C ATOM 134 OE1 GLN A 27 -7.001 -7.195 -5.883 1.00 0.00 O ATOM 135 NE2 GLN A 27 -7.918 -5.645 -7.168 1.00 0.00 N ATOM 0 H GLN A 27 -5.524 -6.497 -4.156 1.00 0.00 H new ATOM 0 HA GLN A 27 -6.287 -3.779 -4.466 1.00 0.00 H new ATOM 0 HB2 GLN A 27 -7.349 -6.211 -2.998 1.00 0.00 H new ATOM 0 HB3 GLN A 27 -8.129 -4.649 -2.850 1.00 0.00 H new ATOM 0 HG2 GLN A 27 -9.180 -6.246 -4.467 1.00 0.00 H new ATOM 0 HG3 GLN A 27 -8.844 -4.641 -5.084 1.00 0.00 H new ATOM 0 HE21 GLN A 27 -8.492 -4.805 -7.241 1.00 0.00 H new ATOM 0 HE22 GLN A 27 -7.522 -6.067 -8.008 1.00 0.00 H new ATOM 144 N ILE A 28 -5.010 -4.602 -1.511 1.00 0.00 N ATOM 145 CA ILE A 28 -4.606 -4.014 -0.234 1.00 0.00 C ATOM 146 C ILE A 28 -3.648 -2.846 -0.451 1.00 0.00 C ATOM 147 O ILE A 28 -3.771 -1.869 0.283 1.00 0.00 O ATOM 148 CB ILE A 28 -4.078 -5.085 0.747 1.00 0.00 C ATOM 149 CG1 ILE A 28 -5.193 -6.131 1.016 1.00 0.00 C ATOM 150 CG2 ILE A 28 -3.550 -4.425 2.041 1.00 0.00 C ATOM 151 CD1 ILE A 28 -5.214 -6.764 2.406 1.00 0.00 C ATOM 0 H ILE A 28 -4.729 -5.575 -1.633 1.00 0.00 H new ATOM 0 HA ILE A 28 -5.488 -3.595 0.250 1.00 0.00 H new ATOM 0 HB ILE A 28 -3.232 -5.611 0.304 1.00 0.00 H new ATOM 0 HG12 ILE A 28 -6.157 -5.653 0.844 1.00 0.00 H new ATOM 0 HG13 ILE A 28 -5.097 -6.929 0.279 1.00 0.00 H new ATOM 0 HG21 ILE A 28 -3.183 -5.196 2.719 1.00 0.00 H new ATOM 0 HG22 ILE A 28 -2.738 -3.741 1.795 1.00 0.00 H new ATOM 0 HG23 ILE A 28 -4.357 -3.872 2.523 1.00 0.00 H new ATOM 0 HD11 ILE A 28 -6.037 -7.476 2.469 1.00 0.00 H new ATOM 0 HD12 ILE A 28 -4.272 -7.282 2.584 1.00 0.00 H new ATOM 0 HD13 ILE A 28 -5.349 -5.986 3.158 1.00 0.00 H new ATOM 163 N GLY A 29 -2.749 -2.903 -1.438 1.00 0.00 N ATOM 164 CA GLY A 29 -1.734 -1.871 -1.625 1.00 0.00 C ATOM 165 C GLY A 29 -2.321 -0.467 -1.673 1.00 0.00 C ATOM 166 O GLY A 29 -1.869 0.420 -0.947 1.00 0.00 O ATOM 0 H GLY A 29 -2.707 -3.659 -2.122 1.00 0.00 H new ATOM 0 HA2 GLY A 29 -1.009 -1.929 -0.813 1.00 0.00 H new ATOM 0 HA3 GLY A 29 -1.192 -2.065 -2.550 1.00 0.00 H new ATOM 170 N VAL A 30 -3.372 -0.273 -2.467 1.00 0.00 N ATOM 171 CA VAL A 30 -3.997 1.028 -2.632 1.00 0.00 C ATOM 172 C VAL A 30 -4.562 1.514 -1.293 1.00 0.00 C ATOM 173 O VAL A 30 -4.354 2.669 -0.914 1.00 0.00 O ATOM 174 CB VAL A 30 -5.052 0.932 -3.751 1.00 0.00 C ATOM 175 CG1 VAL A 30 -5.816 2.243 -3.930 1.00 0.00 C ATOM 176 CG2 VAL A 30 -4.378 0.605 -5.093 1.00 0.00 C ATOM 0 H VAL A 30 -3.810 -1.016 -3.012 1.00 0.00 H new ATOM 0 HA VAL A 30 -3.268 1.778 -2.938 1.00 0.00 H new ATOM 0 HB VAL A 30 -5.746 0.144 -3.457 1.00 0.00 H new ATOM 0 HG11 VAL A 30 -6.549 2.131 -4.729 1.00 0.00 H new ATOM 0 HG12 VAL A 30 -6.327 2.496 -3.001 1.00 0.00 H new ATOM 0 HG13 VAL A 30 -5.117 3.039 -4.188 1.00 0.00 H new ATOM 0 HG21 VAL A 30 -5.135 0.540 -5.874 1.00 0.00 H new ATOM 0 HG22 VAL A 30 -3.665 1.391 -5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 30 -3.855 -0.348 -5.015 1.00 0.00 H new ATOM 186 N LEU A 31 -5.270 0.644 -0.569 1.00 0.00 N ATOM 187 CA LEU A 31 -5.933 0.995 0.684 1.00 0.00 C ATOM 188 C LEU A 31 -4.921 1.235 1.803 1.00 0.00 C ATOM 189 O LEU A 31 -5.139 2.099 2.650 1.00 0.00 O ATOM 190 CB LEU A 31 -6.946 -0.102 1.068 1.00 0.00 C ATOM 191 CG LEU A 31 -8.072 -0.273 0.025 1.00 0.00 C ATOM 192 CD1 LEU A 31 -9.098 -1.324 0.462 1.00 0.00 C ATOM 193 CD2 LEU A 31 -8.806 1.049 -0.185 1.00 0.00 C ATOM 0 H LEU A 31 -5.399 -0.331 -0.840 1.00 0.00 H new ATOM 0 HA LEU A 31 -6.474 1.930 0.539 1.00 0.00 H new ATOM 0 HB2 LEU A 31 -6.420 -1.050 1.186 1.00 0.00 H new ATOM 0 HB3 LEU A 31 -7.387 0.140 2.035 1.00 0.00 H new ATOM 0 HG LEU A 31 -7.598 -0.600 -0.901 1.00 0.00 H new ATOM 0 HD11 LEU A 31 -9.873 -1.414 -0.299 1.00 0.00 H new ATOM 0 HD12 LEU A 31 -8.602 -2.286 0.590 1.00 0.00 H new ATOM 0 HD13 LEU A 31 -9.550 -1.021 1.406 1.00 0.00 H new ATOM 0 HD21 LEU A 31 -9.597 0.913 -0.923 1.00 0.00 H new ATOM 0 HD22 LEU A 31 -9.242 1.377 0.759 1.00 0.00 H new ATOM 0 HD23 LEU A 31 -8.104 1.803 -0.541 1.00 0.00 H new ATOM 205 N ALA A 32 -3.812 0.498 1.796 1.00 0.00 N ATOM 206 CA ALA A 32 -2.681 0.721 2.682 1.00 0.00 C ATOM 207 C ALA A 32 -2.069 2.096 2.399 1.00 0.00 C ATOM 208 O ALA A 32 -1.865 2.874 3.330 1.00 0.00 O ATOM 209 CB ALA A 32 -1.652 -0.405 2.513 1.00 0.00 C ATOM 0 H ALA A 32 -3.676 -0.287 1.159 1.00 0.00 H new ATOM 0 HA ALA A 32 -3.016 0.709 3.719 1.00 0.00 H new ATOM 0 HB1 ALA A 32 -0.808 -0.230 3.180 1.00 0.00 H new ATOM 0 HB2 ALA A 32 -2.115 -1.361 2.757 1.00 0.00 H new ATOM 0 HB3 ALA A 32 -1.301 -0.425 1.481 1.00 0.00 H new ATOM 215 N GLY A 33 -1.813 2.420 1.128 1.00 0.00 N ATOM 216 CA GLY A 33 -1.312 3.727 0.723 1.00 0.00 C ATOM 217 C GLY A 33 -2.258 4.845 1.140 1.00 0.00 C ATOM 218 O GLY A 33 -1.814 5.933 1.483 1.00 0.00 O ATOM 0 H GLY A 33 -1.950 1.775 0.350 1.00 0.00 H new ATOM 0 HA2 GLY A 33 -0.331 3.895 1.168 1.00 0.00 H new ATOM 0 HA3 GLY A 33 -1.179 3.747 -0.359 1.00 0.00 H new ATOM 222 N LEU A 34 -3.578 4.619 1.132 1.00 0.00 N ATOM 223 CA LEU A 34 -4.504 5.679 1.524 1.00 0.00 C ATOM 224 C LEU A 34 -4.299 6.065 2.995 1.00 0.00 C ATOM 225 O LEU A 34 -4.451 7.239 3.339 1.00 0.00 O ATOM 226 CB LEU A 34 -5.971 5.331 1.213 1.00 0.00 C ATOM 227 CG LEU A 34 -6.370 5.450 -0.273 1.00 0.00 C ATOM 228 CD1 LEU A 34 -7.835 5.066 -0.470 1.00 0.00 C ATOM 229 CD2 LEU A 34 -6.140 6.860 -0.831 1.00 0.00 C ATOM 0 H LEU A 34 -4.016 3.737 0.866 1.00 0.00 H new ATOM 0 HA LEU A 34 -4.272 6.553 0.915 1.00 0.00 H new ATOM 0 HB2 LEU A 34 -6.165 4.311 1.545 1.00 0.00 H new ATOM 0 HB3 LEU A 34 -6.616 5.985 1.800 1.00 0.00 H new ATOM 0 HG LEU A 34 -5.728 4.761 -0.821 1.00 0.00 H new ATOM 0 HD11 LEU A 34 -8.096 5.157 -1.524 1.00 0.00 H new ATOM 0 HD12 LEU A 34 -7.988 4.037 -0.145 1.00 0.00 H new ATOM 0 HD13 LEU A 34 -8.468 5.730 0.119 1.00 0.00 H new ATOM 0 HD21 LEU A 34 -6.437 6.889 -1.879 1.00 0.00 H new ATOM 0 HD22 LEU A 34 -6.735 7.577 -0.265 1.00 0.00 H new ATOM 0 HD23 LEU A 34 -5.084 7.117 -0.745 1.00 0.00 H new ATOM 241 N ALA A 35 -3.887 5.121 3.850 1.00 0.00 N ATOM 242 CA ALA A 35 -3.514 5.413 5.229 1.00 0.00 C ATOM 243 C ALA A 35 -2.122 6.047 5.359 1.00 0.00 C ATOM 244 O ALA A 35 -1.840 6.590 6.428 1.00 0.00 O ATOM 245 CB ALA A 35 -3.547 4.121 6.063 1.00 0.00 C ATOM 0 H ALA A 35 -3.805 4.135 3.600 1.00 0.00 H new ATOM 0 HA ALA A 35 -4.241 6.137 5.597 1.00 0.00 H new ATOM 0 HB1 ALA A 35 -3.267 4.345 7.092 1.00 0.00 H new ATOM 0 HB2 ALA A 35 -4.553 3.701 6.043 1.00 0.00 H new ATOM 0 HB3 ALA A 35 -2.844 3.400 5.645 1.00 0.00 H new ATOM 251 N ILE A 36 -1.250 5.924 4.350 1.00 0.00 N ATOM 252 CA ILE A 36 0.190 6.161 4.428 1.00 0.00 C ATOM 253 C ILE A 36 0.645 6.781 3.095 1.00 0.00 C ATOM 254 O ILE A 36 1.003 6.075 2.155 1.00 0.00 O ATOM 255 CB ILE A 36 0.922 4.828 4.739 1.00 0.00 C ATOM 256 CG1 ILE A 36 0.502 4.140 6.065 1.00 0.00 C ATOM 257 CG2 ILE A 36 2.452 4.991 4.741 1.00 0.00 C ATOM 258 CD1 ILE A 36 0.810 4.895 7.366 1.00 0.00 C ATOM 0 H ILE A 36 -1.547 5.643 3.415 1.00 0.00 H new ATOM 0 HA ILE A 36 0.434 6.853 5.234 1.00 0.00 H new ATOM 0 HB ILE A 36 0.608 4.178 3.922 1.00 0.00 H new ATOM 0 HG12 ILE A 36 -0.571 3.955 6.026 1.00 0.00 H new ATOM 0 HG13 ILE A 36 0.992 3.167 6.113 1.00 0.00 H new ATOM 0 HG21 ILE A 36 2.920 4.032 4.963 1.00 0.00 H new ATOM 0 HG22 ILE A 36 2.782 5.337 3.762 1.00 0.00 H new ATOM 0 HG23 ILE A 36 2.739 5.719 5.499 1.00 0.00 H new ATOM 0 HD11 ILE A 36 0.467 4.307 8.218 1.00 0.00 H new ATOM 0 HD12 ILE A 36 1.885 5.057 7.447 1.00 0.00 H new ATOM 0 HD13 ILE A 36 0.297 5.857 7.359 1.00 0.00 H new ATOM 270 N SER A 37 0.676 8.110 3.040 1.00 0.00 N ATOM 271 CA SER A 37 0.894 8.924 1.850 1.00 0.00 C ATOM 272 C SER A 37 -0.131 8.600 0.744 1.00 0.00 C ATOM 273 O SER A 37 0.221 8.056 -0.308 1.00 0.00 O ATOM 274 CB SER A 37 2.363 8.878 1.406 1.00 0.00 C ATOM 275 OG SER A 37 2.668 10.082 0.729 1.00 0.00 O ATOM 0 H SER A 37 0.542 8.680 3.875 1.00 0.00 H new ATOM 0 HA SER A 37 0.707 9.969 2.099 1.00 0.00 H new ATOM 0 HB2 SER A 37 3.016 8.754 2.270 1.00 0.00 H new ATOM 0 HB3 SER A 37 2.534 8.023 0.752 1.00 0.00 H new ATOM 0 HG SER A 37 3.605 10.067 0.441 1.00 0.00 H new ATOM 281 N PRO A 38 -1.406 9.005 0.934 1.00 0.00 N ATOM 282 CA PRO A 38 -2.419 8.913 -0.109 1.00 0.00 C ATOM 283 C PRO A 38 -1.984 9.751 -1.306 1.00 0.00 C ATOM 284 O PRO A 38 -2.088 9.297 -2.440 1.00 0.00 O ATOM 285 CB PRO A 38 -3.723 9.435 0.511 1.00 0.00 C ATOM 286 CG PRO A 38 -3.269 10.306 1.675 1.00 0.00 C ATOM 287 CD PRO A 38 -1.960 9.654 2.115 1.00 0.00 C ATOM 0 HA PRO A 38 -2.560 7.893 -0.467 1.00 0.00 H new ATOM 0 HB2 PRO A 38 -4.304 10.009 -0.211 1.00 0.00 H new ATOM 0 HB3 PRO A 38 -4.357 8.616 0.851 1.00 0.00 H new ATOM 0 HG2 PRO A 38 -3.119 11.341 1.368 1.00 0.00 H new ATOM 0 HG3 PRO A 38 -4.004 10.316 2.480 1.00 0.00 H new ATOM 0 HD2 PRO A 38 -1.269 10.399 2.509 1.00 0.00 H new ATOM 0 HD3 PRO A 38 -2.135 8.929 2.910 1.00 0.00 H new ATOM 295 N GLU A 39 -1.462 10.954 -1.043 1.00 0.00 N ATOM 296 CA GLU A 39 -0.936 11.872 -2.035 1.00 0.00 C ATOM 297 C GLU A 39 0.062 11.173 -2.951 1.00 0.00 C ATOM 298 O GLU A 39 -0.148 11.174 -4.161 1.00 0.00 O ATOM 299 CB GLU A 39 -0.281 13.074 -1.333 1.00 0.00 C ATOM 300 CG GLU A 39 -1.090 14.363 -1.464 1.00 0.00 C ATOM 301 CD GLU A 39 -1.983 14.674 -0.269 1.00 0.00 C ATOM 302 OE1 GLU A 39 -2.846 13.835 0.085 1.00 0.00 O ATOM 303 OE2 GLU A 39 -1.931 15.830 0.218 1.00 0.00 O ATOM 0 H GLU A 39 -1.396 11.320 -0.093 1.00 0.00 H new ATOM 0 HA GLU A 39 -1.760 12.228 -2.654 1.00 0.00 H new ATOM 0 HB2 GLU A 39 -0.149 12.841 -0.276 1.00 0.00 H new ATOM 0 HB3 GLU A 39 0.713 13.233 -1.751 1.00 0.00 H new ATOM 0 HG2 GLU A 39 -0.402 15.195 -1.613 1.00 0.00 H new ATOM 0 HG3 GLU A 39 -1.710 14.298 -2.358 1.00 0.00 H new ATOM 310 N TRP A 40 1.118 10.562 -2.399 1.00 0.00 N ATOM 311 CA TRP A 40 2.132 9.885 -3.198 1.00 0.00 C ATOM 312 C TRP A 40 1.477 8.879 -4.138 1.00 0.00 C ATOM 313 O TRP A 40 1.696 8.962 -5.345 1.00 0.00 O ATOM 314 CB TRP A 40 3.168 9.220 -2.294 1.00 0.00 C ATOM 315 CG TRP A 40 4.151 8.319 -2.973 1.00 0.00 C ATOM 316 CD1 TRP A 40 5.249 8.711 -3.655 1.00 0.00 C ATOM 317 CD2 TRP A 40 4.125 6.864 -3.063 1.00 0.00 C ATOM 318 NE1 TRP A 40 5.941 7.604 -4.101 1.00 0.00 N ATOM 319 CE2 TRP A 40 5.307 6.431 -3.739 1.00 0.00 C ATOM 320 CE3 TRP A 40 3.218 5.870 -2.632 1.00 0.00 C ATOM 321 CZ2 TRP A 40 5.612 5.070 -3.908 1.00 0.00 C ATOM 322 CZ3 TRP A 40 3.491 4.506 -2.849 1.00 0.00 C ATOM 323 CH2 TRP A 40 4.694 4.106 -3.459 1.00 0.00 C ATOM 0 H TRP A 40 1.288 10.526 -1.394 1.00 0.00 H new ATOM 0 HA TRP A 40 2.654 10.621 -3.809 1.00 0.00 H new ATOM 0 HB2 TRP A 40 3.721 10.001 -1.773 1.00 0.00 H new ATOM 0 HB3 TRP A 40 2.641 8.643 -1.534 1.00 0.00 H new ATOM 0 HD1 TRP A 40 5.541 9.737 -3.825 1.00 0.00 H new ATOM 0 HE1 TRP A 40 6.811 7.646 -4.631 1.00 0.00 H new ATOM 0 HE3 TRP A 40 2.306 6.160 -2.131 1.00 0.00 H new ATOM 0 HZ2 TRP A 40 6.538 4.770 -4.376 1.00 0.00 H new ATOM 0 HZ3 TRP A 40 2.771 3.761 -2.545 1.00 0.00 H new ATOM 0 HH2 TRP A 40 4.912 3.056 -3.582 1.00 0.00 H new ATOM 334 N LEU A 41 0.645 7.969 -3.618 1.00 0.00 N ATOM 335 CA LEU A 41 0.016 6.952 -4.454 1.00 0.00 C ATOM 336 C LEU A 41 -0.823 7.601 -5.554 1.00 0.00 C ATOM 337 O LEU A 41 -0.670 7.240 -6.717 1.00 0.00 O ATOM 338 CB LEU A 41 -0.792 5.957 -3.609 1.00 0.00 C ATOM 339 CG LEU A 41 -1.392 4.823 -4.479 1.00 0.00 C ATOM 340 CD1 LEU A 41 -1.273 3.479 -3.753 1.00 0.00 C ATOM 341 CD2 LEU A 41 -2.846 5.043 -4.944 1.00 0.00 C ATOM 0 H LEU A 41 0.396 7.920 -2.630 1.00 0.00 H new ATOM 0 HA LEU A 41 0.800 6.376 -4.945 1.00 0.00 H new ATOM 0 HB2 LEU A 41 -0.150 5.526 -2.841 1.00 0.00 H new ATOM 0 HB3 LEU A 41 -1.595 6.484 -3.094 1.00 0.00 H new ATOM 0 HG LEU A 41 -0.797 4.827 -5.392 1.00 0.00 H new ATOM 0 HD11 LEU A 41 -1.698 2.691 -4.375 1.00 0.00 H new ATOM 0 HD12 LEU A 41 -0.223 3.262 -3.559 1.00 0.00 H new ATOM 0 HD13 LEU A 41 -1.814 3.527 -2.808 1.00 0.00 H new ATOM 0 HD21 LEU A 41 -3.168 4.193 -5.545 1.00 0.00 H new ATOM 0 HD22 LEU A 41 -3.496 5.140 -4.074 1.00 0.00 H new ATOM 0 HD23 LEU A 41 -2.903 5.952 -5.542 1.00 0.00 H new ATOM 353 N LYS A 42 -1.673 8.575 -5.221 1.00 0.00 N ATOM 354 CA LYS A 42 -2.512 9.276 -6.197 1.00 0.00 C ATOM 355 C LYS A 42 -1.656 9.887 -7.298 1.00 0.00 C ATOM 356 O LYS A 42 -1.991 9.757 -8.477 1.00 0.00 O ATOM 357 CB LYS A 42 -3.340 10.370 -5.499 1.00 0.00 C ATOM 358 CG LYS A 42 -4.407 9.764 -4.579 1.00 0.00 C ATOM 359 CD LYS A 42 -4.921 10.756 -3.529 1.00 0.00 C ATOM 360 CE LYS A 42 -5.933 10.040 -2.623 1.00 0.00 C ATOM 361 NZ LYS A 42 -7.319 10.223 -3.083 1.00 0.00 N ATOM 0 H LYS A 42 -1.800 8.901 -4.263 1.00 0.00 H new ATOM 0 HA LYS A 42 -3.192 8.554 -6.649 1.00 0.00 H new ATOM 0 HB2 LYS A 42 -2.679 11.013 -4.918 1.00 0.00 H new ATOM 0 HB3 LYS A 42 -3.819 11.000 -6.249 1.00 0.00 H new ATOM 0 HG2 LYS A 42 -5.245 9.415 -5.183 1.00 0.00 H new ATOM 0 HG3 LYS A 42 -3.992 8.891 -4.075 1.00 0.00 H new ATOM 0 HD2 LYS A 42 -4.091 11.142 -2.937 1.00 0.00 H new ATOM 0 HD3 LYS A 42 -5.390 11.611 -4.016 1.00 0.00 H new ATOM 0 HE2 LYS A 42 -5.700 8.976 -2.591 1.00 0.00 H new ATOM 0 HE3 LYS A 42 -5.837 10.418 -1.605 1.00 0.00 H new ATOM 0 HZ1 LYS A 42 -7.967 9.723 -2.441 1.00 0.00 H new ATOM 0 HZ2 LYS A 42 -7.552 11.237 -3.089 1.00 0.00 H new ATOM 0 HZ3 LYS A 42 -7.419 9.839 -4.044 1.00 0.00 H new ATOM 375 N GLN A 43 -0.561 10.544 -6.922 1.00 0.00 N ATOM 376 CA GLN A 43 0.305 11.269 -7.835 1.00 0.00 C ATOM 377 C GLN A 43 1.029 10.244 -8.722 1.00 0.00 C ATOM 378 O GLN A 43 1.079 10.412 -9.937 1.00 0.00 O ATOM 379 CB GLN A 43 1.214 12.200 -6.996 1.00 0.00 C ATOM 380 CG GLN A 43 0.372 13.330 -6.333 1.00 0.00 C ATOM 381 CD GLN A 43 0.983 14.088 -5.140 1.00 0.00 C ATOM 382 OE1 GLN A 43 0.482 15.150 -4.758 1.00 0.00 O ATOM 383 NE2 GLN A 43 2.002 13.563 -4.476 1.00 0.00 N ATOM 0 H GLN A 43 -0.249 10.585 -5.952 1.00 0.00 H new ATOM 0 HA GLN A 43 -0.230 11.924 -8.523 1.00 0.00 H new ATOM 0 HB2 GLN A 43 1.727 11.622 -6.227 1.00 0.00 H new ATOM 0 HB3 GLN A 43 1.983 12.637 -7.632 1.00 0.00 H new ATOM 0 HG2 GLN A 43 0.131 14.062 -7.104 1.00 0.00 H new ATOM 0 HG3 GLN A 43 -0.570 12.893 -6.002 1.00 0.00 H new ATOM 0 HE21 GLN A 43 2.417 12.686 -4.790 1.00 0.00 H new ATOM 0 HE22 GLN A 43 2.371 14.036 -3.651 1.00 0.00 H new ATOM 392 N ASN A 44 1.456 9.108 -8.157 1.00 0.00 N ATOM 393 CA ASN A 44 2.109 8.043 -8.915 1.00 0.00 C ATOM 394 C ASN A 44 1.150 7.415 -9.928 1.00 0.00 C ATOM 395 O ASN A 44 1.524 7.183 -11.079 1.00 0.00 O ATOM 396 CB ASN A 44 2.638 6.921 -8.007 1.00 0.00 C ATOM 397 CG ASN A 44 3.956 7.190 -7.302 1.00 0.00 C ATOM 398 OD1 ASN A 44 4.816 6.319 -7.280 1.00 0.00 O ATOM 399 ND2 ASN A 44 4.127 8.350 -6.696 1.00 0.00 N ATOM 0 H ASN A 44 1.357 8.905 -7.162 1.00 0.00 H new ATOM 0 HA ASN A 44 2.947 8.515 -9.428 1.00 0.00 H new ATOM 0 HB2 ASN A 44 1.883 6.709 -7.250 1.00 0.00 H new ATOM 0 HB3 ASN A 44 2.750 6.019 -8.608 1.00 0.00 H new ATOM 0 HD21 ASN A 44 4.994 8.539 -6.192 1.00 0.00 H new ATOM 0 HD22 ASN A 44 3.393 9.057 -6.731 1.00 0.00 H new ATOM 406 N ILE A 45 -0.076 7.088 -9.504 1.00 0.00 N ATOM 407 CA ILE A 45 -1.097 6.480 -10.354 1.00 0.00 C ATOM 408 C ILE A 45 -1.440 7.405 -11.519 1.00 0.00 C ATOM 409 O ILE A 45 -1.666 6.911 -12.619 1.00 0.00 O ATOM 410 CB ILE A 45 -2.350 6.132 -9.518 1.00 0.00 C ATOM 411 CG1 ILE A 45 -2.111 4.948 -8.559 1.00 0.00 C ATOM 412 CG2 ILE A 45 -3.591 5.841 -10.380 1.00 0.00 C ATOM 413 CD1 ILE A 45 -1.859 3.589 -9.218 1.00 0.00 C ATOM 0 H ILE A 45 -0.388 7.242 -8.545 1.00 0.00 H new ATOM 0 HA ILE A 45 -0.706 5.553 -10.772 1.00 0.00 H new ATOM 0 HB ILE A 45 -2.545 7.029 -8.930 1.00 0.00 H new ATOM 0 HG12 ILE A 45 -1.256 5.186 -7.926 1.00 0.00 H new ATOM 0 HG13 ILE A 45 -2.977 4.857 -7.904 1.00 0.00 H new ATOM 0 HG21 ILE A 45 -4.436 5.604 -9.733 1.00 0.00 H new ATOM 0 HG22 ILE A 45 -3.830 6.718 -10.982 1.00 0.00 H new ATOM 0 HG23 ILE A 45 -3.388 4.995 -11.036 1.00 0.00 H new ATOM 0 HD11 ILE A 45 -1.705 2.834 -8.447 1.00 0.00 H new ATOM 0 HD12 ILE A 45 -2.720 3.315 -9.827 1.00 0.00 H new ATOM 0 HD13 ILE A 45 -0.973 3.650 -9.849 1.00 0.00 H new ATOM 425 N ALA A 46 -1.437 8.729 -11.320 1.00 0.00 N ATOM 426 CA ALA A 46 -1.758 9.685 -12.375 1.00 0.00 C ATOM 427 C ALA A 46 -0.927 9.419 -13.643 1.00 0.00 C ATOM 428 O ALA A 46 -1.451 9.453 -14.760 1.00 0.00 O ATOM 429 CB ALA A 46 -1.541 11.106 -11.846 1.00 0.00 C ATOM 0 H ALA A 46 -1.212 9.162 -10.424 1.00 0.00 H new ATOM 0 HA ALA A 46 -2.804 9.569 -12.659 1.00 0.00 H new ATOM 0 HB1 ALA A 46 -1.779 11.826 -12.629 1.00 0.00 H new ATOM 0 HB2 ALA A 46 -2.189 11.277 -10.986 1.00 0.00 H new ATOM 0 HB3 ALA A 46 -0.500 11.227 -11.546 1.00 0.00 H new ATOM 435 N ALA A 47 0.350 9.077 -13.460 1.00 0.00 N ATOM 436 CA ALA A 47 1.310 8.755 -14.509 1.00 0.00 C ATOM 437 C ALA A 47 1.533 7.238 -14.688 1.00 0.00 C ATOM 438 O ALA A 47 2.386 6.840 -15.474 1.00 0.00 O ATOM 439 CB ALA A 47 2.606 9.508 -14.184 1.00 0.00 C ATOM 0 H ALA A 47 0.760 9.015 -12.528 1.00 0.00 H new ATOM 0 HA ALA A 47 0.918 9.076 -15.474 1.00 0.00 H new ATOM 0 HB1 ALA A 47 3.353 9.293 -14.948 1.00 0.00 H new ATOM 0 HB2 ALA A 47 2.408 10.580 -14.161 1.00 0.00 H new ATOM 0 HB3 ALA A 47 2.979 9.187 -13.211 1.00 0.00 H new ATOM 445 N ASN A 48 0.779 6.366 -14.002 1.00 0.00 N ATOM 446 CA ASN A 48 0.984 4.904 -13.928 1.00 0.00 C ATOM 447 C ASN A 48 2.412 4.539 -13.468 1.00 0.00 C ATOM 448 O ASN A 48 2.875 3.418 -13.666 1.00 0.00 O ATOM 449 CB ASN A 48 0.572 4.233 -15.258 1.00 0.00 C ATOM 450 CG ASN A 48 0.163 2.751 -15.215 1.00 0.00 C ATOM 451 OD1 ASN A 48 -0.931 2.425 -15.667 1.00 0.00 O ATOM 452 ND2 ASN A 48 1.000 1.817 -14.782 1.00 0.00 N ATOM 0 H ASN A 48 -0.028 6.670 -13.458 1.00 0.00 H new ATOM 0 HA ASN A 48 0.329 4.502 -13.155 1.00 0.00 H new ATOM 0 HB2 ASN A 48 -0.261 4.799 -15.675 1.00 0.00 H new ATOM 0 HB3 ASN A 48 1.404 4.331 -15.955 1.00 0.00 H new ATOM 0 HD21 ASN A 48 0.733 0.833 -14.826 1.00 0.00 H new ATOM 0 HD22 ASN A 48 1.910 2.083 -14.406 1.00 0.00 H new ATOM 459 N GLN A 49 3.140 5.458 -12.833 1.00 0.00 N ATOM 460 CA GLN A 49 4.518 5.258 -12.382 1.00 0.00 C ATOM 461 C GLN A 49 4.584 4.547 -11.032 1.00 0.00 C ATOM 462 O GLN A 49 5.634 4.553 -10.405 1.00 0.00 O ATOM 463 CB GLN A 49 5.282 6.576 -12.344 1.00 0.00 C ATOM 464 CG GLN A 49 4.687 7.584 -11.350 1.00 0.00 C ATOM 465 CD GLN A 49 5.754 8.529 -10.843 1.00 0.00 C ATOM 466 OE1 GLN A 49 5.709 9.736 -11.069 1.00 0.00 O ATOM 467 NE2 GLN A 49 6.708 7.962 -10.136 1.00 0.00 N ATOM 0 H GLN A 49 2.779 6.386 -12.612 1.00 0.00 H new ATOM 0 HA GLN A 49 5.000 4.607 -13.112 1.00 0.00 H new ATOM 0 HB2 GLN A 49 6.321 6.380 -12.077 1.00 0.00 H new ATOM 0 HB3 GLN A 49 5.287 7.016 -13.341 1.00 0.00 H new ATOM 0 HG2 GLN A 49 3.891 8.151 -11.832 1.00 0.00 H new ATOM 0 HG3 GLN A 49 4.237 7.053 -10.512 1.00 0.00 H new ATOM 0 HE21 GLN A 49 6.696 6.954 -9.979 1.00 0.00 H new ATOM 0 HE22 GLN A 49 7.459 8.530 -9.745 1.00 0.00 H new ATOM 476 N LEU A 50 3.468 4.024 -10.535 1.00 0.00 N ATOM 477 CA LEU A 50 3.438 3.184 -9.351 1.00 0.00 C ATOM 478 C LEU A 50 3.741 1.768 -9.819 1.00 0.00 C ATOM 479 O LEU A 50 3.291 1.382 -10.899 1.00 0.00 O ATOM 480 CB LEU A 50 2.042 3.227 -8.705 1.00 0.00 C ATOM 481 CG LEU A 50 2.003 2.548 -7.317 1.00 0.00 C ATOM 482 CD1 LEU A 50 2.799 3.349 -6.277 1.00 0.00 C ATOM 483 CD2 LEU A 50 0.561 2.432 -6.824 1.00 0.00 C ATOM 0 H LEU A 50 2.549 4.176 -10.951 1.00 0.00 H new ATOM 0 HA LEU A 50 4.162 3.525 -8.611 1.00 0.00 H new ATOM 0 HB2 LEU A 50 1.725 4.265 -8.606 1.00 0.00 H new ATOM 0 HB3 LEU A 50 1.326 2.736 -9.365 1.00 0.00 H new ATOM 0 HG LEU A 50 2.449 1.560 -7.431 1.00 0.00 H new ATOM 0 HD11 LEU A 50 2.750 2.843 -5.313 1.00 0.00 H new ATOM 0 HD12 LEU A 50 3.839 3.425 -6.595 1.00 0.00 H new ATOM 0 HD13 LEU A 50 2.374 4.348 -6.184 1.00 0.00 H new ATOM 0 HD21 LEU A 50 0.549 1.952 -5.845 1.00 0.00 H new ATOM 0 HD22 LEU A 50 0.122 3.427 -6.746 1.00 0.00 H new ATOM 0 HD23 LEU A 50 -0.017 1.835 -7.529 1.00 0.00 H new ATOM 495 N VAL A 51 4.428 0.983 -9.001 1.00 0.00 N ATOM 496 CA VAL A 51 4.583 -0.451 -9.155 1.00 0.00 C ATOM 497 C VAL A 51 4.209 -1.128 -7.850 1.00 0.00 C ATOM 498 O VAL A 51 4.081 -0.479 -6.812 1.00 0.00 O ATOM 499 CB VAL A 51 5.996 -0.786 -9.668 1.00 0.00 C ATOM 500 CG1 VAL A 51 7.141 -0.802 -8.721 1.00 0.00 C ATOM 501 CG2 VAL A 51 6.079 -2.154 -10.339 1.00 0.00 C ATOM 0 H VAL A 51 4.911 1.346 -8.179 1.00 0.00 H new ATOM 0 HA VAL A 51 3.906 -0.841 -9.915 1.00 0.00 H new ATOM 0 HB VAL A 51 6.111 0.073 -10.329 1.00 0.00 H new ATOM 0 HG11 VAL A 51 8.054 -1.057 -9.259 1.00 0.00 H new ATOM 0 HG12 VAL A 51 7.251 0.182 -8.266 1.00 0.00 H new ATOM 0 HG13 VAL A 51 6.959 -1.543 -7.943 1.00 0.00 H new ATOM 0 HG21 VAL A 51 7.099 -2.331 -10.679 1.00 0.00 H new ATOM 0 HG22 VAL A 51 5.795 -2.927 -9.625 1.00 0.00 H new ATOM 0 HG23 VAL A 51 5.402 -2.182 -11.193 1.00 0.00 H new ATOM 511 N TYR A 52 4.016 -2.433 -7.934 1.00 0.00 N ATOM 512 CA TYR A 52 3.705 -3.375 -6.880 1.00 0.00 C ATOM 513 C TYR A 52 4.634 -4.572 -7.103 1.00 0.00 C ATOM 514 O TYR A 52 5.124 -4.750 -8.220 1.00 0.00 O ATOM 515 CB TYR A 52 2.212 -3.710 -7.033 1.00 0.00 C ATOM 516 CG TYR A 52 1.709 -4.983 -6.390 1.00 0.00 C ATOM 517 CD1 TYR A 52 1.422 -5.042 -5.014 1.00 0.00 C ATOM 518 CD2 TYR A 52 1.487 -6.110 -7.202 1.00 0.00 C ATOM 519 CE1 TYR A 52 0.905 -6.227 -4.462 1.00 0.00 C ATOM 520 CE2 TYR A 52 1.007 -7.302 -6.647 1.00 0.00 C ATOM 521 CZ TYR A 52 0.706 -7.362 -5.273 1.00 0.00 C ATOM 522 OH TYR A 52 0.207 -8.499 -4.730 1.00 0.00 O ATOM 0 H TYR A 52 4.081 -2.904 -8.836 1.00 0.00 H new ATOM 0 HA TYR A 52 3.861 -3.011 -5.864 1.00 0.00 H new ATOM 0 HB2 TYR A 52 1.638 -2.878 -6.625 1.00 0.00 H new ATOM 0 HB3 TYR A 52 1.987 -3.760 -8.098 1.00 0.00 H new ATOM 0 HD1 TYR A 52 1.598 -4.182 -4.385 1.00 0.00 H new ATOM 0 HD2 TYR A 52 1.688 -6.055 -8.262 1.00 0.00 H new ATOM 0 HE1 TYR A 52 0.659 -6.268 -3.411 1.00 0.00 H new ATOM 0 HE2 TYR A 52 0.868 -8.173 -7.271 1.00 0.00 H new ATOM 0 HH TYR A 52 0.130 -9.187 -5.424 1.00 0.00 H new ATOM 532 N GLY A 53 4.877 -5.394 -6.087 1.00 0.00 N ATOM 533 CA GLY A 53 5.697 -6.586 -6.230 1.00 0.00 C ATOM 534 C GLY A 53 5.871 -7.285 -4.895 1.00 0.00 C ATOM 535 O GLY A 53 5.423 -6.794 -3.859 1.00 0.00 O ATOM 0 H GLY A 53 4.511 -5.251 -5.146 1.00 0.00 H new ATOM 0 HA2 GLY A 53 5.235 -7.267 -6.944 1.00 0.00 H new ATOM 0 HA3 GLY A 53 6.673 -6.315 -6.633 1.00 0.00 H new ATOM 539 N ILE A 54 6.527 -8.441 -4.916 1.00 0.00 N ATOM 540 CA ILE A 54 6.848 -9.276 -3.765 1.00 0.00 C ATOM 541 C ILE A 54 8.348 -9.260 -3.627 1.00 0.00 C ATOM 542 O ILE A 54 9.125 -9.439 -4.561 1.00 0.00 O ATOM 543 CB ILE A 54 6.246 -10.694 -3.951 1.00 0.00 C ATOM 544 CG1 ILE A 54 4.728 -10.676 -4.259 1.00 0.00 C ATOM 545 CG2 ILE A 54 6.527 -11.583 -2.726 1.00 0.00 C ATOM 546 CD1 ILE A 54 3.858 -10.045 -3.168 1.00 0.00 C ATOM 0 H ILE A 54 6.869 -8.843 -5.789 1.00 0.00 H new ATOM 0 HA ILE A 54 6.410 -8.902 -2.840 1.00 0.00 H new ATOM 0 HB ILE A 54 6.744 -11.117 -4.823 1.00 0.00 H new ATOM 0 HG12 ILE A 54 4.567 -10.134 -5.191 1.00 0.00 H new ATOM 0 HG13 ILE A 54 4.393 -11.700 -4.424 1.00 0.00 H new ATOM 0 HG21 ILE A 54 6.093 -12.570 -2.886 1.00 0.00 H new ATOM 0 HG22 ILE A 54 7.604 -11.678 -2.585 1.00 0.00 H new ATOM 0 HG23 ILE A 54 6.083 -11.131 -1.839 1.00 0.00 H new ATOM 0 HD11 ILE A 54 2.812 -10.078 -3.473 1.00 0.00 H new ATOM 0 HD12 ILE A 54 3.983 -10.599 -2.238 1.00 0.00 H new ATOM 0 HD13 ILE A 54 4.159 -9.009 -3.016 1.00 0.00 H new ATOM 558 N VAL A 55 8.674 -9.074 -2.362 1.00 0.00 N ATOM 559 CA VAL A 55 9.912 -9.178 -1.673 1.00 0.00 C ATOM 560 C VAL A 55 10.682 -10.444 -2.076 1.00 0.00 C ATOM 561 O VAL A 55 11.554 -10.369 -2.945 1.00 0.00 O ATOM 562 CB VAL A 55 9.492 -9.107 -0.190 1.00 0.00 C ATOM 563 CG1 VAL A 55 9.371 -7.670 0.315 1.00 0.00 C ATOM 564 CG2 VAL A 55 8.221 -9.870 0.191 1.00 0.00 C ATOM 0 H VAL A 55 7.942 -8.803 -1.705 1.00 0.00 H new ATOM 0 HA VAL A 55 10.628 -8.392 -1.911 1.00 0.00 H new ATOM 0 HB VAL A 55 10.317 -9.620 0.304 1.00 0.00 H new ATOM 0 HG11 VAL A 55 9.073 -7.677 1.363 1.00 0.00 H new ATOM 0 HG12 VAL A 55 10.333 -7.167 0.214 1.00 0.00 H new ATOM 0 HG13 VAL A 55 8.621 -7.140 -0.272 1.00 0.00 H new ATOM 0 HG21 VAL A 55 8.028 -9.746 1.257 1.00 0.00 H new ATOM 0 HG22 VAL A 55 7.378 -9.479 -0.379 1.00 0.00 H new ATOM 0 HG23 VAL A 55 8.351 -10.929 -0.033 1.00 0.00 H new ATOM 574 N LYS A 56 10.364 -11.593 -1.474 1.00 0.00 N ATOM 575 CA LYS A 56 11.085 -12.851 -1.644 1.00 0.00 C ATOM 576 C LYS A 56 12.555 -12.751 -1.209 1.00 0.00 C ATOM 577 O LYS A 56 13.065 -11.665 -0.938 1.00 0.00 O ATOM 578 CB LYS A 56 10.900 -13.363 -3.080 1.00 0.00 C ATOM 579 CG LYS A 56 9.444 -13.773 -3.346 1.00 0.00 C ATOM 580 CD LYS A 56 9.404 -15.246 -3.723 1.00 0.00 C ATOM 581 CE LYS A 56 7.991 -15.664 -4.090 1.00 0.00 C ATOM 582 NZ LYS A 56 7.895 -17.129 -4.163 1.00 0.00 N ATOM 0 H LYS A 56 9.573 -11.673 -0.836 1.00 0.00 H new ATOM 0 HA LYS A 56 10.656 -13.595 -0.973 1.00 0.00 H new ATOM 0 HB2 LYS A 56 11.196 -12.586 -3.786 1.00 0.00 H new ATOM 0 HB3 LYS A 56 11.557 -14.216 -3.251 1.00 0.00 H new ATOM 0 HG2 LYS A 56 8.835 -13.595 -2.460 1.00 0.00 H new ATOM 0 HG3 LYS A 56 9.023 -13.168 -4.149 1.00 0.00 H new ATOM 0 HD2 LYS A 56 10.074 -15.431 -4.563 1.00 0.00 H new ATOM 0 HD3 LYS A 56 9.763 -15.850 -2.890 1.00 0.00 H new ATOM 0 HE2 LYS A 56 7.288 -15.283 -3.349 1.00 0.00 H new ATOM 0 HE3 LYS A 56 7.712 -15.226 -5.049 1.00 0.00 H new ATOM 0 HZ1 LYS A 56 6.923 -17.401 -4.415 1.00 0.00 H new ATOM 0 HZ2 LYS A 56 8.553 -17.484 -4.886 1.00 0.00 H new ATOM 0 HZ3 LYS A 56 8.141 -17.539 -3.240 1.00 0.00 H new ATOM 596 N PRO A 57 13.242 -13.889 -1.050 1.00 0.00 N ATOM 597 CA PRO A 57 14.690 -13.910 -0.898 1.00 0.00 C ATOM 598 C PRO A 57 15.488 -13.430 -2.128 1.00 0.00 C ATOM 599 O PRO A 57 16.712 -13.398 -2.046 1.00 0.00 O ATOM 600 CB PRO A 57 15.065 -15.368 -0.583 1.00 0.00 C ATOM 601 CG PRO A 57 13.754 -16.064 -0.242 1.00 0.00 C ATOM 602 CD PRO A 57 12.657 -15.201 -0.847 1.00 0.00 C ATOM 0 HA PRO A 57 14.954 -13.206 -0.109 1.00 0.00 H new ATOM 0 HB2 PRO A 57 15.549 -15.841 -1.437 1.00 0.00 H new ATOM 0 HB3 PRO A 57 15.765 -15.421 0.251 1.00 0.00 H new ATOM 0 HG2 PRO A 57 13.729 -17.073 -0.653 1.00 0.00 H new ATOM 0 HG3 PRO A 57 13.629 -16.156 0.837 1.00 0.00 H new ATOM 0 HD2 PRO A 57 12.306 -15.621 -1.790 1.00 0.00 H new ATOM 0 HD3 PRO A 57 11.795 -15.145 -0.183 1.00 0.00 H new ATOM 610 N SER A 58 14.853 -13.164 -3.280 1.00 0.00 N ATOM 611 CA SER A 58 15.552 -12.981 -4.553 1.00 0.00 C ATOM 612 C SER A 58 15.916 -11.523 -4.857 1.00 0.00 C ATOM 613 O SER A 58 17.051 -11.271 -5.271 1.00 0.00 O ATOM 614 CB SER A 58 14.720 -13.578 -5.696 1.00 0.00 C ATOM 615 OG SER A 58 14.854 -14.993 -5.715 1.00 0.00 O ATOM 0 H SER A 58 13.840 -13.070 -3.351 1.00 0.00 H new ATOM 0 HA SER A 58 16.500 -13.511 -4.464 1.00 0.00 H new ATOM 0 HB2 SER A 58 13.672 -13.307 -5.572 1.00 0.00 H new ATOM 0 HB3 SER A 58 15.047 -13.162 -6.649 1.00 0.00 H new ATOM 0 HG SER A 58 14.318 -15.363 -6.447 1.00 0.00 H new ATOM 621 N ASP A 59 14.984 -10.573 -4.726 1.00 0.00 N ATOM 622 CA ASP A 59 15.303 -9.160 -4.960 1.00 0.00 C ATOM 623 C ASP A 59 15.958 -8.580 -3.697 1.00 0.00 C ATOM 624 O ASP A 59 15.995 -9.215 -2.640 1.00 0.00 O ATOM 625 CB ASP A 59 14.063 -8.340 -5.380 1.00 0.00 C ATOM 626 CG ASP A 59 13.980 -8.050 -6.875 1.00 0.00 C ATOM 627 OD1 ASP A 59 13.649 -8.976 -7.656 1.00 0.00 O ATOM 628 OD2 ASP A 59 14.240 -6.892 -7.263 1.00 0.00 O ATOM 0 H ASP A 59 14.015 -10.753 -4.463 1.00 0.00 H new ATOM 0 HA ASP A 59 16.001 -9.096 -5.795 1.00 0.00 H new ATOM 0 HB2 ASP A 59 13.166 -8.879 -5.076 1.00 0.00 H new ATOM 0 HB3 ASP A 59 14.066 -7.394 -4.838 1.00 0.00 H new ATOM 633 N THR A 60 16.501 -7.367 -3.800 1.00 0.00 N ATOM 634 CA THR A 60 17.057 -6.656 -2.660 1.00 0.00 C ATOM 635 C THR A 60 15.915 -6.013 -1.872 1.00 0.00 C ATOM 636 O THR A 60 15.364 -4.999 -2.317 1.00 0.00 O ATOM 637 CB THR A 60 18.053 -5.582 -3.118 1.00 0.00 C ATOM 638 OG1 THR A 60 19.001 -6.091 -4.043 1.00 0.00 O ATOM 639 CG2 THR A 60 18.797 -5.011 -1.906 1.00 0.00 C ATOM 0 H THR A 60 16.565 -6.853 -4.679 1.00 0.00 H new ATOM 0 HA THR A 60 17.594 -7.362 -2.026 1.00 0.00 H new ATOM 0 HB THR A 60 17.478 -4.801 -3.616 1.00 0.00 H new ATOM 0 HG1 THR A 60 19.615 -5.375 -4.310 1.00 0.00 H new ATOM 0 HG21 THR A 60 19.502 -4.249 -2.238 1.00 0.00 H new ATOM 0 HG22 THR A 60 18.080 -4.566 -1.216 1.00 0.00 H new ATOM 0 HG23 THR A 60 19.338 -5.811 -1.401 1.00 0.00 H new ATOM 647 N VAL A 61 15.617 -6.546 -0.689 1.00 0.00 N ATOM 648 CA VAL A 61 14.756 -5.935 0.318 1.00 0.00 C ATOM 649 C VAL A 61 15.458 -5.999 1.679 1.00 0.00 C ATOM 650 O VAL A 61 16.448 -6.728 1.824 1.00 0.00 O ATOM 651 CB VAL A 61 13.359 -6.597 0.313 1.00 0.00 C ATOM 652 CG1 VAL A 61 12.564 -6.001 -0.859 1.00 0.00 C ATOM 653 CG2 VAL A 61 13.396 -8.136 0.381 1.00 0.00 C ATOM 0 H VAL A 61 15.984 -7.451 -0.395 1.00 0.00 H new ATOM 0 HA VAL A 61 14.585 -4.883 0.088 1.00 0.00 H new ATOM 0 HB VAL A 61 12.830 -6.361 1.236 1.00 0.00 H new ATOM 0 HG11 VAL A 61 11.571 -6.449 -0.890 1.00 0.00 H new ATOM 0 HG12 VAL A 61 12.472 -4.923 -0.725 1.00 0.00 H new ATOM 0 HG13 VAL A 61 13.084 -6.208 -1.794 1.00 0.00 H new ATOM 0 HG21 VAL A 61 12.378 -8.525 0.373 1.00 0.00 H new ATOM 0 HG22 VAL A 61 13.940 -8.525 -0.480 1.00 0.00 H new ATOM 0 HG23 VAL A 61 13.897 -8.448 1.298 1.00 0.00 H new ATOM 663 N PRO A 62 15.009 -5.203 2.666 1.00 0.00 N ATOM 664 CA PRO A 62 15.632 -5.192 3.975 1.00 0.00 C ATOM 665 C PRO A 62 15.253 -6.426 4.791 1.00 0.00 C ATOM 666 O PRO A 62 14.238 -7.080 4.545 1.00 0.00 O ATOM 667 CB PRO A 62 15.151 -3.906 4.648 1.00 0.00 C ATOM 668 CG PRO A 62 13.812 -3.615 3.987 1.00 0.00 C ATOM 669 CD PRO A 62 13.963 -4.191 2.584 1.00 0.00 C ATOM 0 HA PRO A 62 16.719 -5.220 3.897 1.00 0.00 H new ATOM 0 HB2 PRO A 62 15.043 -4.037 5.725 1.00 0.00 H new ATOM 0 HB3 PRO A 62 15.856 -3.089 4.495 1.00 0.00 H new ATOM 0 HG2 PRO A 62 12.990 -4.086 4.526 1.00 0.00 H new ATOM 0 HG3 PRO A 62 13.604 -2.545 3.960 1.00 0.00 H new ATOM 0 HD2 PRO A 62 13.025 -4.628 2.241 1.00 0.00 H new ATOM 0 HD3 PRO A 62 14.231 -3.412 1.871 1.00 0.00 H new ATOM 677 N ALA A 63 16.023 -6.665 5.851 1.00 0.00 N ATOM 678 CA ALA A 63 15.707 -7.643 6.872 1.00 0.00 C ATOM 679 C ALA A 63 14.330 -7.320 7.478 1.00 0.00 C ATOM 680 O ALA A 63 14.122 -6.209 7.990 1.00 0.00 O ATOM 681 CB ALA A 63 16.829 -7.612 7.919 1.00 0.00 C ATOM 0 H ALA A 63 16.899 -6.171 6.021 1.00 0.00 H new ATOM 0 HA ALA A 63 15.647 -8.650 6.459 1.00 0.00 H new ATOM 0 HB1 ALA A 63 16.617 -8.340 8.702 1.00 0.00 H new ATOM 0 HB2 ALA A 63 17.778 -7.858 7.443 1.00 0.00 H new ATOM 0 HB3 ALA A 63 16.890 -6.616 8.357 1.00 0.00 H new ATOM 687 N GLY A 64 13.393 -8.269 7.442 1.00 0.00 N ATOM 688 CA GLY A 64 12.101 -8.175 8.106 1.00 0.00 C ATOM 689 C GLY A 64 10.932 -7.908 7.158 1.00 0.00 C ATOM 690 O GLY A 64 9.952 -7.308 7.613 1.00 0.00 O ATOM 0 H GLY A 64 13.520 -9.145 6.936 1.00 0.00 H new ATOM 0 HA2 GLY A 64 11.913 -9.103 8.645 1.00 0.00 H new ATOM 0 HA3 GLY A 64 12.143 -7.378 8.848 1.00 0.00 H new ATOM 694 N VAL A 65 11.030 -8.311 5.886 1.00 0.00 N ATOM 695 CA VAL A 65 9.950 -8.282 4.900 1.00 0.00 C ATOM 696 C VAL A 65 10.088 -9.520 3.986 1.00 0.00 C ATOM 697 O VAL A 65 10.652 -9.473 2.894 1.00 0.00 O ATOM 698 CB VAL A 65 9.891 -6.932 4.141 1.00 0.00 C ATOM 699 CG1 VAL A 65 9.234 -5.816 4.969 1.00 0.00 C ATOM 700 CG2 VAL A 65 11.246 -6.404 3.662 1.00 0.00 C ATOM 0 H VAL A 65 11.900 -8.681 5.503 1.00 0.00 H new ATOM 0 HA VAL A 65 8.983 -8.343 5.399 1.00 0.00 H new ATOM 0 HB VAL A 65 9.286 -7.176 3.268 1.00 0.00 H new ATOM 0 HG11 VAL A 65 9.219 -4.893 4.389 1.00 0.00 H new ATOM 0 HG12 VAL A 65 8.213 -6.103 5.221 1.00 0.00 H new ATOM 0 HG13 VAL A 65 9.803 -5.660 5.885 1.00 0.00 H new ATOM 0 HG21 VAL A 65 11.104 -5.456 3.142 1.00 0.00 H new ATOM 0 HG22 VAL A 65 11.902 -6.253 4.520 1.00 0.00 H new ATOM 0 HG23 VAL A 65 11.698 -7.126 2.982 1.00 0.00 H new ATOM 710 N ASP A 66 9.591 -10.662 4.460 1.00 0.00 N ATOM 711 CA ASP A 66 9.746 -11.996 3.848 1.00 0.00 C ATOM 712 C ASP A 66 8.672 -12.404 2.843 1.00 0.00 C ATOM 713 O ASP A 66 8.832 -13.370 2.095 1.00 0.00 O ATOM 714 CB ASP A 66 9.752 -13.069 4.945 1.00 0.00 C ATOM 715 CG ASP A 66 8.371 -13.297 5.570 1.00 0.00 C ATOM 716 OD1 ASP A 66 8.019 -12.576 6.535 1.00 0.00 O ATOM 717 OD2 ASP A 66 7.615 -14.174 5.097 1.00 0.00 O ATOM 0 H ASP A 66 9.043 -10.692 5.320 1.00 0.00 H new ATOM 0 HA ASP A 66 10.685 -11.923 3.299 1.00 0.00 H new ATOM 0 HB2 ASP A 66 10.114 -14.008 4.525 1.00 0.00 H new ATOM 0 HB3 ASP A 66 10.454 -12.778 5.726 1.00 0.00 H new ATOM 722 N ASP A 67 7.581 -11.660 2.854 1.00 0.00 N ATOM 723 CA ASP A 67 6.365 -11.867 2.056 1.00 0.00 C ATOM 724 C ASP A 67 5.482 -10.607 2.078 1.00 0.00 C ATOM 725 O ASP A 67 4.296 -10.654 1.759 1.00 0.00 O ATOM 726 CB ASP A 67 5.592 -13.099 2.567 1.00 0.00 C ATOM 727 CG ASP A 67 4.458 -13.561 1.645 1.00 0.00 C ATOM 728 OD1 ASP A 67 4.624 -13.530 0.401 1.00 0.00 O ATOM 729 OD2 ASP A 67 3.419 -14.024 2.181 1.00 0.00 O ATOM 0 H ASP A 67 7.506 -10.840 3.456 1.00 0.00 H new ATOM 0 HA ASP A 67 6.653 -12.054 1.022 1.00 0.00 H new ATOM 0 HB2 ASP A 67 6.293 -13.923 2.702 1.00 0.00 H new ATOM 0 HB3 ASP A 67 5.176 -12.871 3.548 1.00 0.00 H new ATOM 734 N TYR A 68 6.041 -9.470 2.512 1.00 0.00 N ATOM 735 CA TYR A 68 5.364 -8.184 2.507 1.00 0.00 C ATOM 736 C TYR A 68 5.370 -7.645 1.083 1.00 0.00 C ATOM 737 O TYR A 68 6.425 -7.261 0.578 1.00 0.00 O ATOM 738 CB TYR A 68 6.067 -7.189 3.436 1.00 0.00 C ATOM 739 CG TYR A 68 5.718 -7.271 4.909 1.00 0.00 C ATOM 740 CD1 TYR A 68 5.983 -8.432 5.660 1.00 0.00 C ATOM 741 CD2 TYR A 68 5.067 -6.183 5.520 1.00 0.00 C ATOM 742 CE1 TYR A 68 5.615 -8.504 7.011 1.00 0.00 C ATOM 743 CE2 TYR A 68 4.670 -6.260 6.863 1.00 0.00 C ATOM 744 CZ TYR A 68 4.935 -7.425 7.612 1.00 0.00 C ATOM 745 OH TYR A 68 4.611 -7.468 8.929 1.00 0.00 O ATOM 0 H TYR A 68 6.991 -9.426 2.880 1.00 0.00 H new ATOM 0 HA TYR A 68 4.343 -8.314 2.865 1.00 0.00 H new ATOM 0 HB2 TYR A 68 7.143 -7.329 3.333 1.00 0.00 H new ATOM 0 HB3 TYR A 68 5.842 -6.181 3.088 1.00 0.00 H new ATOM 0 HD1 TYR A 68 6.473 -9.273 5.192 1.00 0.00 H new ATOM 0 HD2 TYR A 68 4.872 -5.285 4.952 1.00 0.00 H new ATOM 0 HE1 TYR A 68 5.852 -9.384 7.590 1.00 0.00 H new ATOM 0 HE2 TYR A 68 4.161 -5.426 7.324 1.00 0.00 H new ATOM 0 HH TYR A 68 5.115 -8.185 9.367 1.00 0.00 H new ATOM 755 N SER A 69 4.216 -7.603 0.434 1.00 0.00 N ATOM 756 CA SER A 69 4.031 -6.897 -0.815 1.00 0.00 C ATOM 757 C SER A 69 4.578 -5.465 -0.681 1.00 0.00 C ATOM 758 O SER A 69 4.376 -4.832 0.358 1.00 0.00 O ATOM 759 CB SER A 69 2.522 -6.892 -1.085 1.00 0.00 C ATOM 760 OG SER A 69 1.859 -8.089 -0.684 1.00 0.00 O ATOM 0 H SER A 69 3.372 -8.067 0.769 1.00 0.00 H new ATOM 0 HA SER A 69 4.564 -7.371 -1.639 1.00 0.00 H new ATOM 0 HB2 SER A 69 2.072 -6.047 -0.563 1.00 0.00 H new ATOM 0 HB3 SER A 69 2.354 -6.735 -2.150 1.00 0.00 H new ATOM 0 HG SER A 69 0.902 -8.016 -0.884 1.00 0.00 H new ATOM 766 N TYR A 70 5.264 -4.935 -1.695 1.00 0.00 N ATOM 767 CA TYR A 70 5.718 -3.548 -1.709 1.00 0.00 C ATOM 768 C TYR A 70 4.980 -2.752 -2.772 1.00 0.00 C ATOM 769 O TYR A 70 4.281 -3.313 -3.617 1.00 0.00 O ATOM 770 CB TYR A 70 7.245 -3.440 -1.860 1.00 0.00 C ATOM 771 CG TYR A 70 7.817 -3.953 -3.167 1.00 0.00 C ATOM 772 CD1 TYR A 70 7.802 -3.144 -4.319 1.00 0.00 C ATOM 773 CD2 TYR A 70 8.382 -5.238 -3.216 1.00 0.00 C ATOM 774 CE1 TYR A 70 8.351 -3.612 -5.526 1.00 0.00 C ATOM 775 CE2 TYR A 70 8.959 -5.712 -4.404 1.00 0.00 C ATOM 776 CZ TYR A 70 8.954 -4.894 -5.558 1.00 0.00 C ATOM 777 OH TYR A 70 9.563 -5.344 -6.683 1.00 0.00 O ATOM 0 H TYR A 70 5.520 -5.460 -2.531 1.00 0.00 H new ATOM 0 HA TYR A 70 5.477 -3.110 -0.740 1.00 0.00 H new ATOM 0 HB2 TYR A 70 7.529 -2.394 -1.747 1.00 0.00 H new ATOM 0 HB3 TYR A 70 7.712 -3.988 -1.041 1.00 0.00 H new ATOM 0 HD1 TYR A 70 7.366 -2.157 -4.275 1.00 0.00 H new ATOM 0 HD2 TYR A 70 8.372 -5.864 -2.336 1.00 0.00 H new ATOM 0 HE1 TYR A 70 8.314 -3.003 -6.417 1.00 0.00 H new ATOM 0 HE2 TYR A 70 9.404 -6.695 -4.437 1.00 0.00 H new ATOM 0 HH TYR A 70 9.922 -6.242 -6.524 1.00 0.00 H new ATOM 787 N LEU A 71 5.179 -1.436 -2.728 1.00 0.00 N ATOM 788 CA LEU A 71 4.792 -0.461 -3.729 1.00 0.00 C ATOM 789 C LEU A 71 5.986 0.461 -3.908 1.00 0.00 C ATOM 790 O LEU A 71 6.555 0.877 -2.892 1.00 0.00 O ATOM 791 CB LEU A 71 3.604 0.392 -3.258 1.00 0.00 C ATOM 792 CG LEU A 71 2.344 -0.395 -2.891 1.00 0.00 C ATOM 793 CD1 LEU A 71 1.321 0.551 -2.262 1.00 0.00 C ATOM 794 CD2 LEU A 71 1.732 -1.093 -4.107 1.00 0.00 C ATOM 0 H LEU A 71 5.648 -0.999 -1.934 1.00 0.00 H new ATOM 0 HA LEU A 71 4.500 -0.972 -4.646 1.00 0.00 H new ATOM 0 HB2 LEU A 71 3.916 0.974 -2.390 1.00 0.00 H new ATOM 0 HB3 LEU A 71 3.353 1.103 -4.045 1.00 0.00 H new ATOM 0 HG LEU A 71 2.625 -1.170 -2.178 1.00 0.00 H new ATOM 0 HD11 LEU A 71 0.422 -0.007 -2.000 1.00 0.00 H new ATOM 0 HD12 LEU A 71 1.745 1.000 -1.364 1.00 0.00 H new ATOM 0 HD13 LEU A 71 1.066 1.336 -2.974 1.00 0.00 H new ATOM 0 HD21 LEU A 71 0.840 -1.640 -3.802 1.00 0.00 H new ATOM 0 HD22 LEU A 71 1.463 -0.349 -4.856 1.00 0.00 H new ATOM 0 HD23 LEU A 71 2.457 -1.788 -4.530 1.00 0.00 H new ATOM 806 N VAL A 72 6.364 0.812 -5.139 1.00 0.00 N ATOM 807 CA VAL A 72 7.443 1.769 -5.340 1.00 0.00 C ATOM 808 C VAL A 72 7.120 2.621 -6.561 1.00 0.00 C ATOM 809 O VAL A 72 6.235 2.275 -7.344 1.00 0.00 O ATOM 810 CB VAL A 72 8.802 1.024 -5.325 1.00 0.00 C ATOM 811 CG1 VAL A 72 8.984 -0.161 -6.251 1.00 0.00 C ATOM 812 CG2 VAL A 72 10.004 1.942 -5.556 1.00 0.00 C ATOM 0 H VAL A 72 5.944 0.452 -5.996 1.00 0.00 H new ATOM 0 HA VAL A 72 7.538 2.489 -4.527 1.00 0.00 H new ATOM 0 HB VAL A 72 8.764 0.631 -4.309 1.00 0.00 H new ATOM 0 HG11 VAL A 72 9.985 -0.573 -6.123 1.00 0.00 H new ATOM 0 HG12 VAL A 72 8.244 -0.925 -6.013 1.00 0.00 H new ATOM 0 HG13 VAL A 72 8.854 0.161 -7.284 1.00 0.00 H new ATOM 0 HG21 VAL A 72 10.921 1.353 -5.533 1.00 0.00 H new ATOM 0 HG22 VAL A 72 9.909 2.428 -6.527 1.00 0.00 H new ATOM 0 HG23 VAL A 72 10.039 2.700 -4.773 1.00 0.00 H new ATOM 822 N ALA A 73 7.785 3.765 -6.690 1.00 0.00 N ATOM 823 CA ALA A 73 7.702 4.597 -7.869 1.00 0.00 C ATOM 824 C ALA A 73 8.673 4.024 -8.900 1.00 0.00 C ATOM 825 O ALA A 73 9.864 3.925 -8.614 1.00 0.00 O ATOM 826 CB ALA A 73 8.083 6.024 -7.488 1.00 0.00 C ATOM 0 H ALA A 73 8.401 4.138 -5.967 1.00 0.00 H new ATOM 0 HA ALA A 73 6.695 4.613 -8.286 1.00 0.00 H new ATOM 0 HB1 ALA A 73 8.025 6.664 -8.369 1.00 0.00 H new ATOM 0 HB2 ALA A 73 7.397 6.393 -6.726 1.00 0.00 H new ATOM 0 HB3 ALA A 73 9.100 6.037 -7.097 1.00 0.00 H new ATOM 832 N ALA A 74 8.209 3.664 -10.098 1.00 0.00 N ATOM 833 CA ALA A 74 9.091 3.176 -11.153 1.00 0.00 C ATOM 834 C ALA A 74 10.038 4.278 -11.625 1.00 0.00 C ATOM 835 O ALA A 74 11.178 4.024 -12.017 1.00 0.00 O ATOM 836 CB ALA A 74 8.255 2.631 -12.314 1.00 0.00 C ATOM 0 H ALA A 74 7.224 3.702 -10.360 1.00 0.00 H new ATOM 0 HA ALA A 74 9.704 2.367 -10.755 1.00 0.00 H new ATOM 0 HB1 ALA A 74 8.917 2.268 -13.100 1.00 0.00 H new ATOM 0 HB2 ALA A 74 7.629 1.812 -11.959 1.00 0.00 H new ATOM 0 HB3 ALA A 74 7.622 3.425 -12.711 1.00 0.00 H new ATOM 842 N ASP A 75 9.560 5.512 -11.548 1.00 0.00 N ATOM 843 CA ASP A 75 10.269 6.699 -12.009 1.00 0.00 C ATOM 844 C ASP A 75 11.016 7.393 -10.887 1.00 0.00 C ATOM 845 O ASP A 75 11.882 8.227 -11.155 1.00 0.00 O ATOM 846 CB ASP A 75 9.281 7.660 -12.707 1.00 0.00 C ATOM 847 CG ASP A 75 9.681 8.006 -14.136 1.00 0.00 C ATOM 848 OD1 ASP A 75 9.648 7.093 -14.988 1.00 0.00 O ATOM 849 OD2 ASP A 75 9.976 9.194 -14.419 1.00 0.00 O ATOM 0 H ASP A 75 8.643 5.722 -11.152 1.00 0.00 H new ATOM 0 HA ASP A 75 11.024 6.383 -12.729 1.00 0.00 H new ATOM 0 HB2 ASP A 75 8.289 7.207 -12.715 1.00 0.00 H new ATOM 0 HB3 ASP A 75 9.207 8.579 -12.126 1.00 0.00 H new ATOM 854 N ASP A 76 10.775 6.986 -9.646 1.00 0.00 N ATOM 855 CA ASP A 76 11.450 7.487 -8.466 1.00 0.00 C ATOM 856 C ASP A 76 11.881 6.237 -7.695 1.00 0.00 C ATOM 857 O ASP A 76 11.552 6.074 -6.521 1.00 0.00 O ATOM 858 CB ASP A 76 10.638 8.543 -7.647 1.00 0.00 C ATOM 859 CG ASP A 76 9.286 9.050 -8.178 1.00 0.00 C ATOM 860 OD1 ASP A 76 9.124 9.279 -9.399 1.00 0.00 O ATOM 861 OD2 ASP A 76 8.366 9.221 -7.347 1.00 0.00 O ATOM 0 H ASP A 76 10.078 6.272 -9.432 1.00 0.00 H new ATOM 0 HA ASP A 76 12.320 8.089 -8.729 1.00 0.00 H new ATOM 0 HB2 ASP A 76 10.461 8.121 -6.658 1.00 0.00 H new ATOM 0 HB3 ASP A 76 11.281 9.413 -7.511 1.00 0.00 H new ATOM 866 N GLN A 77 12.605 5.321 -8.365 1.00 0.00 N ATOM 867 CA GLN A 77 13.089 4.090 -7.699 1.00 0.00 C ATOM 868 C GLN A 77 13.754 4.384 -6.340 1.00 0.00 C ATOM 869 O GLN A 77 13.467 3.721 -5.344 1.00 0.00 O ATOM 870 CB GLN A 77 14.095 3.298 -8.555 1.00 0.00 C ATOM 871 CG GLN A 77 13.476 2.371 -9.612 1.00 0.00 C ATOM 872 CD GLN A 77 14.492 1.361 -10.169 1.00 0.00 C ATOM 873 OE1 GLN A 77 15.693 1.422 -9.910 1.00 0.00 O ATOM 874 NE2 GLN A 77 14.037 0.369 -10.915 1.00 0.00 N ATOM 0 H GLN A 77 12.866 5.403 -9.348 1.00 0.00 H new ATOM 0 HA GLN A 77 12.192 3.489 -7.552 1.00 0.00 H new ATOM 0 HB2 GLN A 77 14.754 4.006 -9.058 1.00 0.00 H new ATOM 0 HB3 GLN A 77 14.718 2.699 -7.891 1.00 0.00 H new ATOM 0 HG2 GLN A 77 12.636 1.833 -9.173 1.00 0.00 H new ATOM 0 HG3 GLN A 77 13.078 2.971 -10.430 1.00 0.00 H new ATOM 0 HE21 GLN A 77 13.043 0.311 -11.135 1.00 0.00 H new ATOM 0 HE22 GLN A 77 14.680 -0.338 -11.271 1.00 0.00 H new ATOM 883 N ASP A 78 14.635 5.385 -6.284 1.00 0.00 N ATOM 884 CA ASP A 78 15.362 5.799 -5.077 1.00 0.00 C ATOM 885 C ASP A 78 14.544 6.797 -4.222 1.00 0.00 C ATOM 886 O ASP A 78 15.038 7.287 -3.205 1.00 0.00 O ATOM 887 CB ASP A 78 16.733 6.385 -5.490 1.00 0.00 C ATOM 888 CG ASP A 78 17.836 5.324 -5.619 1.00 0.00 C ATOM 889 OD1 ASP A 78 18.419 4.944 -4.580 1.00 0.00 O ATOM 890 OD2 ASP A 78 18.204 4.894 -6.742 1.00 0.00 O ATOM 0 H ASP A 78 14.871 5.948 -7.101 1.00 0.00 H new ATOM 0 HA ASP A 78 15.524 4.926 -4.445 1.00 0.00 H new ATOM 0 HB2 ASP A 78 16.626 6.905 -6.442 1.00 0.00 H new ATOM 0 HB3 ASP A 78 17.039 7.129 -4.754 1.00 0.00 H new ATOM 895 N GLY A 79 13.305 7.125 -4.610 1.00 0.00 N ATOM 896 CA GLY A 79 12.515 8.254 -4.119 1.00 0.00 C ATOM 897 C GLY A 79 11.733 7.953 -2.837 1.00 0.00 C ATOM 898 O GLY A 79 12.070 8.511 -1.783 1.00 0.00 O ATOM 0 H GLY A 79 12.804 6.580 -5.311 1.00 0.00 H new ATOM 0 HA2 GLY A 79 13.180 9.098 -3.938 1.00 0.00 H new ATOM 0 HA3 GLY A 79 11.815 8.561 -4.896 1.00 0.00 H new ATOM 902 N THR A 80 10.705 7.098 -2.913 1.00 0.00 N ATOM 903 CA THR A 80 9.842 6.699 -1.790 1.00 0.00 C ATOM 904 C THR A 80 9.466 5.214 -1.943 1.00 0.00 C ATOM 905 O THR A 80 9.530 4.689 -3.062 1.00 0.00 O ATOM 906 CB THR A 80 8.564 7.561 -1.760 1.00 0.00 C ATOM 907 OG1 THR A 80 8.801 8.901 -2.143 1.00 0.00 O ATOM 908 CG2 THR A 80 7.937 7.631 -0.364 1.00 0.00 C ATOM 0 H THR A 80 10.441 6.648 -3.789 1.00 0.00 H new ATOM 0 HA THR A 80 10.382 6.848 -0.855 1.00 0.00 H new ATOM 0 HB THR A 80 7.896 7.067 -2.466 1.00 0.00 H new ATOM 0 HG1 THR A 80 7.961 9.404 -2.109 1.00 0.00 H new ATOM 0 HG21 THR A 80 7.040 8.250 -0.398 1.00 0.00 H new ATOM 0 HG22 THR A 80 7.672 6.627 -0.033 1.00 0.00 H new ATOM 0 HG23 THR A 80 8.652 8.066 0.334 1.00 0.00 H new ATOM 916 N ILE A 81 9.064 4.523 -0.864 1.00 0.00 N ATOM 917 CA ILE A 81 8.636 3.131 -0.955 1.00 0.00 C ATOM 918 C ILE A 81 7.700 2.816 0.217 1.00 0.00 C ATOM 919 O ILE A 81 7.791 3.437 1.286 1.00 0.00 O ATOM 920 CB ILE A 81 9.902 2.225 -0.938 1.00 0.00 C ATOM 921 CG1 ILE A 81 9.587 0.924 -1.675 1.00 0.00 C ATOM 922 CG2 ILE A 81 10.475 1.952 0.463 1.00 0.00 C ATOM 923 CD1 ILE A 81 10.743 -0.061 -1.850 1.00 0.00 C ATOM 0 H ILE A 81 9.029 4.912 0.078 1.00 0.00 H new ATOM 0 HA ILE A 81 8.089 2.947 -1.880 1.00 0.00 H new ATOM 0 HB ILE A 81 10.694 2.772 -1.449 1.00 0.00 H new ATOM 0 HG12 ILE A 81 8.784 0.416 -1.141 1.00 0.00 H new ATOM 0 HG13 ILE A 81 9.202 1.177 -2.663 1.00 0.00 H new ATOM 0 HG21 ILE A 81 11.354 1.313 0.378 1.00 0.00 H new ATOM 0 HG22 ILE A 81 10.756 2.895 0.932 1.00 0.00 H new ATOM 0 HG23 ILE A 81 9.722 1.454 1.073 1.00 0.00 H new ATOM 0 HD11 ILE A 81 10.392 -0.942 -2.387 1.00 0.00 H new ATOM 0 HD12 ILE A 81 11.543 0.414 -2.417 1.00 0.00 H new ATOM 0 HD13 ILE A 81 11.119 -0.358 -0.871 1.00 0.00 H new ATOM 935 N ILE A 82 6.828 1.820 0.054 1.00 0.00 N ATOM 936 CA ILE A 82 5.932 1.314 1.091 1.00 0.00 C ATOM 937 C ILE A 82 5.924 -0.213 0.962 1.00 0.00 C ATOM 938 O ILE A 82 6.094 -0.749 -0.131 1.00 0.00 O ATOM 939 CB ILE A 82 4.518 1.944 0.942 1.00 0.00 C ATOM 940 CG1 ILE A 82 4.596 3.492 0.961 1.00 0.00 C ATOM 941 CG2 ILE A 82 3.543 1.435 2.030 1.00 0.00 C ATOM 942 CD1 ILE A 82 3.275 4.196 0.664 1.00 0.00 C ATOM 0 H ILE A 82 6.724 1.328 -0.833 1.00 0.00 H new ATOM 0 HA ILE A 82 6.270 1.589 2.090 1.00 0.00 H new ATOM 0 HB ILE A 82 4.126 1.629 -0.025 1.00 0.00 H new ATOM 0 HG12 ILE A 82 4.952 3.813 1.940 1.00 0.00 H new ATOM 0 HG13 ILE A 82 5.338 3.815 0.230 1.00 0.00 H new ATOM 0 HG21 ILE A 82 2.567 1.899 1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 82 3.444 0.352 1.952 1.00 0.00 H new ATOM 0 HG23 ILE A 82 3.930 1.694 3.015 1.00 0.00 H new ATOM 0 HD11 ILE A 82 3.422 5.275 0.698 1.00 0.00 H new ATOM 0 HD12 ILE A 82 2.925 3.909 -0.327 1.00 0.00 H new ATOM 0 HD13 ILE A 82 2.533 3.907 1.409 1.00 0.00 H new ATOM 954 N PHE A 83 5.709 -0.919 2.071 1.00 0.00 N ATOM 955 CA PHE A 83 5.485 -2.357 2.146 1.00 0.00 C ATOM 956 C PHE A 83 4.216 -2.585 2.970 1.00 0.00 C ATOM 957 O PHE A 83 3.892 -1.762 3.833 1.00 0.00 O ATOM 958 CB PHE A 83 6.686 -3.063 2.798 1.00 0.00 C ATOM 959 CG PHE A 83 8.020 -2.996 2.077 1.00 0.00 C ATOM 960 CD1 PHE A 83 8.796 -1.819 2.100 1.00 0.00 C ATOM 961 CD2 PHE A 83 8.526 -4.141 1.438 1.00 0.00 C ATOM 962 CE1 PHE A 83 10.068 -1.795 1.503 1.00 0.00 C ATOM 963 CE2 PHE A 83 9.791 -4.108 0.828 1.00 0.00 C ATOM 964 CZ PHE A 83 10.568 -2.940 0.867 1.00 0.00 C ATOM 0 H PHE A 83 5.686 -0.477 2.990 1.00 0.00 H new ATOM 0 HA PHE A 83 5.369 -2.773 1.145 1.00 0.00 H new ATOM 0 HB2 PHE A 83 6.822 -2.643 3.794 1.00 0.00 H new ATOM 0 HB3 PHE A 83 6.427 -4.114 2.928 1.00 0.00 H new ATOM 0 HD1 PHE A 83 8.411 -0.931 2.579 1.00 0.00 H new ATOM 0 HD2 PHE A 83 7.941 -5.048 1.416 1.00 0.00 H new ATOM 0 HE1 PHE A 83 10.661 -0.893 1.534 1.00 0.00 H new ATOM 0 HE2 PHE A 83 10.168 -4.987 0.326 1.00 0.00 H new ATOM 0 HZ PHE A 83 11.546 -2.923 0.409 1.00 0.00 H new ATOM 974 N PHE A 84 3.512 -3.696 2.757 1.00 0.00 N ATOM 975 CA PHE A 84 2.343 -4.100 3.526 1.00 0.00 C ATOM 976 C PHE A 84 2.217 -5.628 3.515 1.00 0.00 C ATOM 977 O PHE A 84 2.749 -6.286 2.624 1.00 0.00 O ATOM 978 CB PHE A 84 1.081 -3.432 2.955 1.00 0.00 C ATOM 979 CG PHE A 84 0.742 -3.824 1.527 1.00 0.00 C ATOM 980 CD1 PHE A 84 1.313 -3.126 0.443 1.00 0.00 C ATOM 981 CD2 PHE A 84 -0.128 -4.904 1.282 1.00 0.00 C ATOM 982 CE1 PHE A 84 1.002 -3.500 -0.875 1.00 0.00 C ATOM 983 CE2 PHE A 84 -0.451 -5.261 -0.037 1.00 0.00 C ATOM 984 CZ PHE A 84 0.096 -4.545 -1.112 1.00 0.00 C ATOM 0 H PHE A 84 3.750 -4.359 2.019 1.00 0.00 H new ATOM 0 HA PHE A 84 2.457 -3.775 4.560 1.00 0.00 H new ATOM 0 HB2 PHE A 84 0.235 -3.680 3.595 1.00 0.00 H new ATOM 0 HB3 PHE A 84 1.208 -2.350 2.999 1.00 0.00 H new ATOM 0 HD1 PHE A 84 1.989 -2.304 0.626 1.00 0.00 H new ATOM 0 HD2 PHE A 84 -0.547 -5.458 2.109 1.00 0.00 H new ATOM 0 HE1 PHE A 84 1.460 -2.983 -1.705 1.00 0.00 H new ATOM 0 HE2 PHE A 84 -1.121 -6.087 -0.224 1.00 0.00 H new ATOM 0 HZ PHE A 84 -0.181 -4.799 -2.125 1.00 0.00 H new ATOM 994 N LYS A 85 1.505 -6.200 4.486 1.00 0.00 N ATOM 995 CA LYS A 85 1.239 -7.637 4.568 1.00 0.00 C ATOM 996 C LYS A 85 -0.025 -7.857 5.375 1.00 0.00 C ATOM 997 O LYS A 85 -0.111 -7.339 6.489 1.00 0.00 O ATOM 998 CB LYS A 85 2.426 -8.330 5.223 1.00 0.00 C ATOM 999 CG LYS A 85 2.332 -9.865 5.169 1.00 0.00 C ATOM 1000 CD LYS A 85 2.595 -10.391 6.575 1.00 0.00 C ATOM 1001 CE LYS A 85 2.252 -11.872 6.735 1.00 0.00 C ATOM 1002 NZ LYS A 85 2.819 -12.410 7.990 1.00 0.00 N ATOM 0 H LYS A 85 1.089 -5.669 5.251 1.00 0.00 H new ATOM 0 HA LYS A 85 1.099 -8.056 3.572 1.00 0.00 H new ATOM 0 HB2 LYS A 85 3.344 -8.010 4.729 1.00 0.00 H new ATOM 0 HB3 LYS A 85 2.496 -8.012 6.263 1.00 0.00 H new ATOM 0 HG2 LYS A 85 1.347 -10.177 4.821 1.00 0.00 H new ATOM 0 HG3 LYS A 85 3.061 -10.269 4.466 1.00 0.00 H new ATOM 0 HD2 LYS A 85 3.645 -10.239 6.823 1.00 0.00 H new ATOM 0 HD3 LYS A 85 2.011 -9.810 7.289 1.00 0.00 H new ATOM 0 HE2 LYS A 85 1.170 -12.001 6.735 1.00 0.00 H new ATOM 0 HE3 LYS A 85 2.640 -12.434 5.885 1.00 0.00 H new ATOM 0 HZ1 LYS A 85 2.574 -13.417 8.078 1.00 0.00 H new ATOM 0 HZ2 LYS A 85 3.854 -12.305 7.976 1.00 0.00 H new ATOM 0 HZ3 LYS A 85 2.429 -11.887 8.800 1.00 0.00 H new ATOM 1016 N ALA A 86 -1.005 -8.572 4.825 1.00 0.00 N ATOM 1017 CA ALA A 86 -2.134 -9.069 5.601 1.00 0.00 C ATOM 1018 C ALA A 86 -1.674 -10.132 6.604 1.00 0.00 C ATOM 1019 O ALA A 86 -0.649 -10.776 6.404 1.00 0.00 O ATOM 1020 CB ALA A 86 -3.186 -9.653 4.658 1.00 0.00 C ATOM 0 H ALA A 86 -1.037 -8.820 3.836 1.00 0.00 H new ATOM 0 HA ALA A 86 -2.570 -8.240 6.159 1.00 0.00 H new ATOM 0 HB1 ALA A 86 -4.030 -10.024 5.240 1.00 0.00 H new ATOM 0 HB2 ALA A 86 -3.530 -8.878 3.973 1.00 0.00 H new ATOM 0 HB3 ALA A 86 -2.749 -10.473 4.088 1.00 0.00 H new ATOM 1026 N GLU A 87 -2.461 -10.351 7.659 1.00 0.00 N ATOM 1027 CA GLU A 87 -2.187 -11.364 8.678 1.00 0.00 C ATOM 1028 C GLU A 87 -3.436 -12.141 9.108 1.00 0.00 C ATOM 1029 O GLU A 87 -3.312 -13.064 9.917 1.00 0.00 O ATOM 1030 CB GLU A 87 -1.542 -10.715 9.911 1.00 0.00 C ATOM 1031 CG GLU A 87 -0.145 -10.149 9.625 1.00 0.00 C ATOM 1032 CD GLU A 87 0.645 -9.874 10.906 1.00 0.00 C ATOM 1033 OE1 GLU A 87 0.040 -9.679 11.990 1.00 0.00 O ATOM 1034 OE2 GLU A 87 1.893 -9.877 10.829 1.00 0.00 O ATOM 0 H GLU A 87 -3.317 -9.823 7.831 1.00 0.00 H new ATOM 0 HA GLU A 87 -1.502 -12.079 8.223 1.00 0.00 H new ATOM 0 HB2 GLU A 87 -2.186 -9.914 10.273 1.00 0.00 H new ATOM 0 HB3 GLU A 87 -1.473 -11.453 10.710 1.00 0.00 H new ATOM 0 HG2 GLU A 87 0.409 -10.852 9.003 1.00 0.00 H new ATOM 0 HG3 GLU A 87 -0.240 -9.225 9.054 1.00 0.00 H new ATOM 1041 N GLY A 88 -4.624 -11.795 8.600 1.00 0.00 N ATOM 1042 CA GLY A 88 -5.877 -12.433 8.975 1.00 0.00 C ATOM 1043 C GLY A 88 -6.773 -11.460 9.723 1.00 0.00 C ATOM 1044 O GLY A 88 -6.848 -11.509 10.952 1.00 0.00 O ATOM 0 H GLY A 88 -4.737 -11.054 7.908 1.00 0.00 H new ATOM 0 HA2 GLY A 88 -6.389 -12.793 8.083 1.00 0.00 H new ATOM 0 HA3 GLY A 88 -5.675 -13.303 9.600 1.00 0.00 H new ATOM 1048 N GLN A 89 -7.478 -10.613 8.975 1.00 0.00 N ATOM 1049 CA GLN A 89 -8.311 -9.496 9.416 1.00 0.00 C ATOM 1050 C GLN A 89 -7.529 -8.260 9.869 1.00 0.00 C ATOM 1051 O GLN A 89 -8.158 -7.284 10.274 1.00 0.00 O ATOM 1052 CB GLN A 89 -9.403 -9.911 10.413 1.00 0.00 C ATOM 1053 CG GLN A 89 -10.319 -11.026 9.882 1.00 0.00 C ATOM 1054 CD GLN A 89 -11.689 -10.920 10.538 1.00 0.00 C ATOM 1055 OE1 GLN A 89 -12.030 -11.643 11.472 1.00 0.00 O ATOM 1056 NE2 GLN A 89 -12.480 -9.955 10.097 1.00 0.00 N ATOM 0 H GLN A 89 -7.481 -10.698 7.959 1.00 0.00 H new ATOM 0 HA GLN A 89 -8.830 -9.177 8.512 1.00 0.00 H new ATOM 0 HB2 GLN A 89 -8.933 -10.246 11.338 1.00 0.00 H new ATOM 0 HB3 GLN A 89 -10.009 -9.040 10.661 1.00 0.00 H new ATOM 0 HG2 GLN A 89 -10.416 -10.945 8.799 1.00 0.00 H new ATOM 0 HG3 GLN A 89 -9.880 -12.001 10.091 1.00 0.00 H new ATOM 0 HE21 GLN A 89 -12.180 -9.365 9.321 1.00 0.00 H new ATOM 0 HE22 GLN A 89 -13.389 -9.801 10.533 1.00 0.00 H new ATOM 1065 N THR A 90 -6.212 -8.234 9.688 1.00 0.00 N ATOM 1066 CA THR A 90 -5.339 -7.100 9.958 1.00 0.00 C ATOM 1067 C THR A 90 -4.283 -7.037 8.846 1.00 0.00 C ATOM 1068 O THR A 90 -4.069 -8.026 8.136 1.00 0.00 O ATOM 1069 CB THR A 90 -4.775 -7.258 11.391 1.00 0.00 C ATOM 1070 OG1 THR A 90 -5.859 -7.295 12.306 1.00 0.00 O ATOM 1071 CG2 THR A 90 -3.851 -6.123 11.840 1.00 0.00 C ATOM 0 H THR A 90 -5.702 -9.042 9.332 1.00 0.00 H new ATOM 0 HA THR A 90 -5.856 -6.141 9.940 1.00 0.00 H new ATOM 0 HB THR A 90 -4.186 -8.175 11.377 1.00 0.00 H new ATOM 0 HG1 THR A 90 -5.514 -7.397 13.218 1.00 0.00 H new ATOM 0 HG21 THR A 90 -3.503 -6.317 12.855 1.00 0.00 H new ATOM 0 HG22 THR A 90 -2.995 -6.064 11.168 1.00 0.00 H new ATOM 0 HG23 THR A 90 -4.396 -5.179 11.817 1.00 0.00 H new ATOM 1079 N VAL A 91 -3.646 -5.879 8.671 1.00 0.00 N ATOM 1080 CA VAL A 91 -2.543 -5.632 7.755 1.00 0.00 C ATOM 1081 C VAL A 91 -1.498 -4.848 8.542 1.00 0.00 C ATOM 1082 O VAL A 91 -1.844 -3.954 9.318 1.00 0.00 O ATOM 1083 CB VAL A 91 -3.029 -4.844 6.513 1.00 0.00 C ATOM 1084 CG1 VAL A 91 -1.893 -4.443 5.555 1.00 0.00 C ATOM 1085 CG2 VAL A 91 -4.066 -5.626 5.690 1.00 0.00 C ATOM 0 H VAL A 91 -3.904 -5.044 9.197 1.00 0.00 H new ATOM 0 HA VAL A 91 -2.121 -6.564 7.379 1.00 0.00 H new ATOM 0 HB VAL A 91 -3.477 -3.945 6.936 1.00 0.00 H new ATOM 0 HG11 VAL A 91 -2.307 -3.895 4.709 1.00 0.00 H new ATOM 0 HG12 VAL A 91 -1.179 -3.811 6.082 1.00 0.00 H new ATOM 0 HG13 VAL A 91 -1.388 -5.339 5.195 1.00 0.00 H new ATOM 0 HG21 VAL A 91 -4.374 -5.029 4.831 1.00 0.00 H new ATOM 0 HG22 VAL A 91 -3.625 -6.561 5.343 1.00 0.00 H new ATOM 0 HG23 VAL A 91 -4.935 -5.843 6.311 1.00 0.00 H new ATOM 1095 N ILE A 92 -0.224 -5.169 8.342 1.00 0.00 N ATOM 1096 CA ILE A 92 0.916 -4.451 8.883 1.00 0.00 C ATOM 1097 C ILE A 92 1.478 -3.629 7.731 1.00 0.00 C ATOM 1098 O ILE A 92 1.943 -4.207 6.751 1.00 0.00 O ATOM 1099 CB ILE A 92 1.955 -5.449 9.440 1.00 0.00 C ATOM 1100 CG1 ILE A 92 1.349 -6.545 10.339 1.00 0.00 C ATOM 1101 CG2 ILE A 92 3.068 -4.691 10.190 1.00 0.00 C ATOM 1102 CD1 ILE A 92 0.533 -6.042 11.532 1.00 0.00 C ATOM 0 H ILE A 92 0.050 -5.971 7.774 1.00 0.00 H new ATOM 0 HA ILE A 92 0.639 -3.802 9.713 1.00 0.00 H new ATOM 0 HB ILE A 92 2.373 -5.968 8.578 1.00 0.00 H new ATOM 0 HG12 ILE A 92 0.710 -7.181 9.726 1.00 0.00 H new ATOM 0 HG13 ILE A 92 2.158 -7.172 10.713 1.00 0.00 H new ATOM 0 HG21 ILE A 92 3.795 -5.404 10.579 1.00 0.00 H new ATOM 0 HG22 ILE A 92 3.564 -4.003 9.506 1.00 0.00 H new ATOM 0 HG23 ILE A 92 2.633 -4.130 11.017 1.00 0.00 H new ATOM 0 HD11 ILE A 92 0.153 -6.893 12.097 1.00 0.00 H new ATOM 0 HD12 ILE A 92 1.167 -5.433 12.176 1.00 0.00 H new ATOM 0 HD13 ILE A 92 -0.303 -5.442 11.174 1.00 0.00 H new ATOM 1114 N ILE A 93 1.427 -2.299 7.812 1.00 0.00 N ATOM 1115 CA ILE A 93 2.056 -1.425 6.827 1.00 0.00 C ATOM 1116 C ILE A 93 3.447 -1.075 7.367 1.00 0.00 C ATOM 1117 O ILE A 93 3.609 -0.686 8.530 1.00 0.00 O ATOM 1118 CB ILE A 93 1.198 -0.176 6.498 1.00 0.00 C ATOM 1119 CG1 ILE A 93 -0.311 -0.501 6.374 1.00 0.00 C ATOM 1120 CG2 ILE A 93 1.711 0.409 5.164 1.00 0.00 C ATOM 1121 CD1 ILE A 93 -1.191 0.733 6.155 1.00 0.00 C ATOM 0 H ILE A 93 0.949 -1.800 8.562 1.00 0.00 H new ATOM 0 HA ILE A 93 2.146 -1.936 5.869 1.00 0.00 H new ATOM 0 HB ILE A 93 1.298 0.536 7.317 1.00 0.00 H new ATOM 0 HG12 ILE A 93 -0.458 -1.193 5.544 1.00 0.00 H new ATOM 0 HG13 ILE A 93 -0.639 -1.014 7.278 1.00 0.00 H new ATOM 0 HG21 ILE A 93 1.126 1.291 4.905 1.00 0.00 H new ATOM 0 HG22 ILE A 93 2.760 0.687 5.268 1.00 0.00 H new ATOM 0 HG23 ILE A 93 1.610 -0.338 4.376 1.00 0.00 H new ATOM 0 HD11 ILE A 93 -2.234 0.427 6.078 1.00 0.00 H new ATOM 0 HD12 ILE A 93 -1.075 1.417 6.996 1.00 0.00 H new ATOM 0 HD13 ILE A 93 -0.891 1.235 5.235 1.00 0.00 H new ATOM 1133 N LYS A 94 4.461 -1.228 6.515 1.00 0.00 N ATOM 1134 CA LYS A 94 5.877 -1.045 6.797 1.00 0.00 C ATOM 1135 C LYS A 94 6.414 -0.035 5.780 1.00 0.00 C ATOM 1136 O LYS A 94 6.694 -0.384 4.643 1.00 0.00 O ATOM 1137 CB LYS A 94 6.599 -2.413 6.748 1.00 0.00 C ATOM 1138 CG LYS A 94 6.479 -3.238 8.043 1.00 0.00 C ATOM 1139 CD LYS A 94 7.322 -4.529 7.974 1.00 0.00 C ATOM 1140 CE LYS A 94 7.112 -5.398 9.227 1.00 0.00 C ATOM 1141 NZ LYS A 94 7.631 -6.780 9.089 1.00 0.00 N ATOM 0 H LYS A 94 4.299 -1.501 5.546 1.00 0.00 H new ATOM 0 HA LYS A 94 6.052 -0.651 7.798 1.00 0.00 H new ATOM 0 HB2 LYS A 94 6.194 -2.996 5.921 1.00 0.00 H new ATOM 0 HB3 LYS A 94 7.655 -2.246 6.533 1.00 0.00 H new ATOM 0 HG2 LYS A 94 6.804 -2.635 8.891 1.00 0.00 H new ATOM 0 HG3 LYS A 94 5.434 -3.494 8.217 1.00 0.00 H new ATOM 0 HD2 LYS A 94 7.050 -5.097 7.084 1.00 0.00 H new ATOM 0 HD3 LYS A 94 8.377 -4.273 7.878 1.00 0.00 H new ATOM 0 HE2 LYS A 94 7.600 -4.919 10.076 1.00 0.00 H new ATOM 0 HE3 LYS A 94 6.047 -5.441 9.454 1.00 0.00 H new ATOM 0 HZ1 LYS A 94 7.803 -7.182 10.033 1.00 0.00 H new ATOM 0 HZ2 LYS A 94 6.933 -7.364 8.585 1.00 0.00 H new ATOM 0 HZ3 LYS A 94 8.522 -6.764 8.552 1.00 0.00 H new ATOM 1155 N TYR A 95 6.525 1.238 6.141 1.00 0.00 N ATOM 1156 CA TYR A 95 6.858 2.344 5.232 1.00 0.00 C ATOM 1157 C TYR A 95 8.074 3.101 5.752 1.00 0.00 C ATOM 1158 O TYR A 95 8.500 2.880 6.885 1.00 0.00 O ATOM 1159 CB TYR A 95 5.653 3.284 5.117 1.00 0.00 C ATOM 1160 CG TYR A 95 5.111 3.719 6.463 1.00 0.00 C ATOM 1161 CD1 TYR A 95 4.216 2.871 7.139 1.00 0.00 C ATOM 1162 CD2 TYR A 95 5.510 4.936 7.043 1.00 0.00 C ATOM 1163 CE1 TYR A 95 3.753 3.210 8.417 1.00 0.00 C ATOM 1164 CE2 TYR A 95 5.021 5.302 8.310 1.00 0.00 C ATOM 1165 CZ TYR A 95 4.139 4.438 8.999 1.00 0.00 C ATOM 1166 OH TYR A 95 3.628 4.807 10.201 1.00 0.00 O ATOM 0 H TYR A 95 6.383 1.545 7.103 1.00 0.00 H new ATOM 0 HA TYR A 95 7.097 1.945 4.246 1.00 0.00 H new ATOM 0 HB2 TYR A 95 5.941 4.166 4.545 1.00 0.00 H new ATOM 0 HB3 TYR A 95 4.862 2.785 4.557 1.00 0.00 H new ATOM 0 HD1 TYR A 95 3.885 1.956 6.672 1.00 0.00 H new ATOM 0 HD2 TYR A 95 6.191 5.589 6.517 1.00 0.00 H new ATOM 0 HE1 TYR A 95 3.104 2.535 8.955 1.00 0.00 H new ATOM 0 HE2 TYR A 95 5.318 6.240 8.755 1.00 0.00 H new ATOM 0 HH TYR A 95 3.997 5.677 10.460 1.00 0.00 H new ATOM 1176 N THR A 96 8.637 4.000 4.950 1.00 0.00 N ATOM 1177 CA THR A 96 9.759 4.834 5.349 1.00 0.00 C ATOM 1178 C THR A 96 9.755 6.126 4.524 1.00 0.00 C ATOM 1179 O THR A 96 9.009 6.248 3.547 1.00 0.00 O ATOM 1180 CB THR A 96 11.070 4.023 5.276 1.00 0.00 C ATOM 1181 OG1 THR A 96 12.092 4.852 5.779 1.00 0.00 O ATOM 1182 CG2 THR A 96 11.407 3.529 3.864 1.00 0.00 C ATOM 0 H THR A 96 8.321 4.169 3.995 1.00 0.00 H new ATOM 0 HA THR A 96 9.668 5.144 6.390 1.00 0.00 H new ATOM 0 HB THR A 96 10.960 3.115 5.868 1.00 0.00 H new ATOM 0 HG1 THR A 96 12.957 4.403 5.678 1.00 0.00 H new ATOM 0 HG21 THR A 96 12.341 2.967 3.888 1.00 0.00 H new ATOM 0 HG22 THR A 96 10.605 2.885 3.503 1.00 0.00 H new ATOM 0 HG23 THR A 96 11.515 4.383 3.196 1.00 0.00 H new ATOM 1190 N SER A 97 10.576 7.090 4.940 1.00 0.00 N ATOM 1191 CA SER A 97 10.891 8.309 4.215 1.00 0.00 C ATOM 1192 C SER A 97 12.121 8.148 3.317 1.00 0.00 C ATOM 1193 O SER A 97 12.402 9.032 2.510 1.00 0.00 O ATOM 1194 CB SER A 97 11.100 9.437 5.239 1.00 0.00 C ATOM 1195 OG SER A 97 11.965 9.048 6.301 1.00 0.00 O ATOM 0 H SER A 97 11.060 7.034 5.836 1.00 0.00 H new ATOM 0 HA SER A 97 10.061 8.551 3.551 1.00 0.00 H new ATOM 0 HB2 SER A 97 11.516 10.310 4.735 1.00 0.00 H new ATOM 0 HB3 SER A 97 10.135 9.736 5.650 1.00 0.00 H new ATOM 0 HG SER A 97 12.071 9.795 6.927 1.00 0.00 H new ATOM 1201 N GLN A 98 12.857 7.044 3.464 1.00 0.00 N ATOM 1202 CA GLN A 98 14.157 6.828 2.831 1.00 0.00 C ATOM 1203 C GLN A 98 14.346 5.348 2.504 1.00 0.00 C ATOM 1204 O GLN A 98 14.362 4.504 3.404 1.00 0.00 O ATOM 1205 CB GLN A 98 15.275 7.275 3.789 1.00 0.00 C ATOM 1206 CG GLN A 98 15.856 8.660 3.486 1.00 0.00 C ATOM 1207 CD GLN A 98 16.882 9.062 4.548 1.00 0.00 C ATOM 1208 OE1 GLN A 98 16.644 8.918 5.753 1.00 0.00 O ATOM 1209 NE2 GLN A 98 18.031 9.587 4.155 1.00 0.00 N ATOM 0 H GLN A 98 12.557 6.258 4.040 1.00 0.00 H new ATOM 0 HA GLN A 98 14.200 7.409 1.910 1.00 0.00 H new ATOM 0 HB2 GLN A 98 14.886 7.273 4.807 1.00 0.00 H new ATOM 0 HB3 GLN A 98 16.081 6.542 3.754 1.00 0.00 H new ATOM 0 HG2 GLN A 98 16.326 8.655 2.503 1.00 0.00 H new ATOM 0 HG3 GLN A 98 15.053 9.397 3.452 1.00 0.00 H new ATOM 0 HE21 GLN A 98 18.224 9.704 3.160 1.00 0.00 H new ATOM 0 HE22 GLN A 98 18.724 9.874 4.847 1.00 0.00 H new ATOM 1218 N ARG A 99 14.598 5.030 1.234 1.00 0.00 N ATOM 1219 CA ARG A 99 14.786 3.669 0.728 1.00 0.00 C ATOM 1220 C ARG A 99 15.830 2.908 1.534 1.00 0.00 C ATOM 1221 O ARG A 99 15.684 1.707 1.757 1.00 0.00 O ATOM 1222 CB ARG A 99 15.151 3.742 -0.771 1.00 0.00 C ATOM 1223 CG ARG A 99 15.565 2.416 -1.417 1.00 0.00 C ATOM 1224 CD ARG A 99 14.561 1.268 -1.325 1.00 0.00 C ATOM 1225 NE ARG A 99 15.214 0.027 -1.766 1.00 0.00 N ATOM 1226 CZ ARG A 99 14.718 -1.214 -1.733 1.00 0.00 C ATOM 1227 NH1 ARG A 99 13.575 -1.495 -1.122 1.00 0.00 N ATOM 1228 NH2 ARG A 99 15.374 -2.196 -2.327 1.00 0.00 N ATOM 0 H ARG A 99 14.680 5.737 0.503 1.00 0.00 H new ATOM 0 HA ARG A 99 13.857 3.110 0.840 1.00 0.00 H new ATOM 0 HB2 ARG A 99 14.295 4.139 -1.316 1.00 0.00 H new ATOM 0 HB3 ARG A 99 15.966 4.455 -0.894 1.00 0.00 H new ATOM 0 HG2 ARG A 99 15.775 2.601 -2.470 1.00 0.00 H new ATOM 0 HG3 ARG A 99 16.498 2.090 -0.958 1.00 0.00 H new ATOM 0 HD2 ARG A 99 14.203 1.162 -0.301 1.00 0.00 H new ATOM 0 HD3 ARG A 99 13.691 1.478 -1.947 1.00 0.00 H new ATOM 0 HE ARG A 99 16.157 0.124 -2.142 1.00 0.00 H new ATOM 0 HH11 ARG A 99 13.048 -0.754 -0.660 1.00 0.00 H new ATOM 0 HH12 ARG A 99 13.223 -2.452 -1.114 1.00 0.00 H new ATOM 0 HH21 ARG A 99 16.253 -2.005 -2.807 1.00 0.00 H new ATOM 0 HH22 ARG A 99 15.001 -3.145 -2.305 1.00 0.00 H new ATOM 1242 N ASN A 100 16.866 3.610 1.977 1.00 0.00 N ATOM 1243 CA ASN A 100 18.046 3.068 2.646 1.00 0.00 C ATOM 1244 C ASN A 100 17.826 2.645 4.095 1.00 0.00 C ATOM 1245 O ASN A 100 18.746 2.104 4.710 1.00 0.00 O ATOM 1246 CB ASN A 100 19.265 4.010 2.536 1.00 0.00 C ATOM 1247 CG ASN A 100 18.917 5.436 2.145 1.00 0.00 C ATOM 1248 OD1 ASN A 100 18.457 6.222 2.960 1.00 0.00 O ATOM 1249 ND2 ASN A 100 18.997 5.730 0.862 1.00 0.00 N ATOM 0 H ASN A 100 16.910 4.624 1.875 1.00 0.00 H new ATOM 0 HA ASN A 100 18.258 2.150 2.097 1.00 0.00 H new ATOM 0 HB2 ASN A 100 19.786 4.025 3.493 1.00 0.00 H new ATOM 0 HB3 ASN A 100 19.959 3.603 1.801 1.00 0.00 H new ATOM 0 HD21 ASN A 100 18.670 6.635 0.525 1.00 0.00 H new ATOM 0 HD22 ASN A 100 19.386 5.052 0.207 1.00 0.00 H new ATOM 1256 N THR A 101 16.636 2.863 4.639 1.00 0.00 N ATOM 1257 CA THR A 101 16.410 2.854 6.086 1.00 0.00 C ATOM 1258 C THR A 101 15.396 1.796 6.542 1.00 0.00 C ATOM 1259 O THR A 101 14.787 1.091 5.728 1.00 0.00 O ATOM 1260 CB THR A 101 16.066 4.270 6.584 1.00 0.00 C ATOM 1261 OG1 THR A 101 14.864 4.734 6.019 1.00 0.00 O ATOM 1262 CG2 THR A 101 17.186 5.286 6.329 1.00 0.00 C ATOM 0 H THR A 101 15.796 3.052 4.092 1.00 0.00 H new ATOM 0 HA THR A 101 17.345 2.551 6.557 1.00 0.00 H new ATOM 0 HB THR A 101 15.946 4.182 7.664 1.00 0.00 H new ATOM 0 HG1 THR A 101 14.948 4.755 5.043 1.00 0.00 H new ATOM 0 HG21 THR A 101 16.882 6.264 6.703 1.00 0.00 H new ATOM 0 HG22 THR A 101 18.092 4.966 6.844 1.00 0.00 H new ATOM 0 HG23 THR A 101 17.381 5.351 5.259 1.00 0.00 H new ATOM 1270 N LYS A 102 15.259 1.612 7.859 1.00 0.00 N ATOM 1271 CA LYS A 102 14.299 0.681 8.456 1.00 0.00 C ATOM 1272 C LYS A 102 12.877 1.140 8.124 1.00 0.00 C ATOM 1273 O LYS A 102 12.619 2.334 7.959 1.00 0.00 O ATOM 1274 CB LYS A 102 14.533 0.645 9.974 1.00 0.00 C ATOM 1275 CG LYS A 102 13.776 -0.436 10.773 1.00 0.00 C ATOM 1276 CD LYS A 102 14.338 -1.865 10.675 1.00 0.00 C ATOM 1277 CE LYS A 102 13.602 -2.773 9.675 1.00 0.00 C ATOM 1278 NZ LYS A 102 14.010 -4.187 9.840 1.00 0.00 N ATOM 0 H LYS A 102 15.820 2.113 8.549 1.00 0.00 H new ATOM 0 HA LYS A 102 14.433 -0.324 8.056 1.00 0.00 H new ATOM 0 HB2 LYS A 102 15.600 0.511 10.149 1.00 0.00 H new ATOM 0 HB3 LYS A 102 14.263 1.619 10.382 1.00 0.00 H new ATOM 0 HG2 LYS A 102 13.765 -0.143 11.823 1.00 0.00 H new ATOM 0 HG3 LYS A 102 12.740 -0.450 10.435 1.00 0.00 H new ATOM 0 HD2 LYS A 102 15.389 -1.810 10.391 1.00 0.00 H new ATOM 0 HD3 LYS A 102 14.298 -2.326 11.662 1.00 0.00 H new ATOM 0 HE2 LYS A 102 12.526 -2.682 9.821 1.00 0.00 H new ATOM 0 HE3 LYS A 102 13.815 -2.446 8.657 1.00 0.00 H new ATOM 0 HZ1 LYS A 102 13.941 -4.677 8.925 1.00 0.00 H new ATOM 0 HZ2 LYS A 102 14.992 -4.228 10.181 1.00 0.00 H new ATOM 0 HZ3 LYS A 102 13.384 -4.651 10.529 1.00 0.00 H new ATOM 1292 N LEU A 103 11.944 0.192 8.063 1.00 0.00 N ATOM 1293 CA LEU A 103 10.531 0.495 7.912 1.00 0.00 C ATOM 1294 C LEU A 103 9.934 0.756 9.294 1.00 0.00 C ATOM 1295 O LEU A 103 10.146 -0.027 10.228 1.00 0.00 O ATOM 1296 CB LEU A 103 9.776 -0.658 7.226 1.00 0.00 C ATOM 1297 CG LEU A 103 10.142 -0.992 5.761 1.00 0.00 C ATOM 1298 CD1 LEU A 103 10.414 0.238 4.891 1.00 0.00 C ATOM 1299 CD2 LEU A 103 11.318 -1.964 5.674 1.00 0.00 C ATOM 0 H LEU A 103 12.151 -0.805 8.117 1.00 0.00 H new ATOM 0 HA LEU A 103 10.429 1.378 7.281 1.00 0.00 H new ATOM 0 HB2 LEU A 103 9.927 -1.558 7.822 1.00 0.00 H new ATOM 0 HB3 LEU A 103 8.711 -0.428 7.261 1.00 0.00 H new ATOM 0 HG LEU A 103 9.251 -1.473 5.357 1.00 0.00 H new ATOM 0 HD11 LEU A 103 10.664 -0.080 3.879 1.00 0.00 H new ATOM 0 HD12 LEU A 103 9.525 0.869 4.864 1.00 0.00 H new ATOM 0 HD13 LEU A 103 11.247 0.803 5.310 1.00 0.00 H new ATOM 0 HD21 LEU A 103 11.542 -2.172 4.628 1.00 0.00 H new ATOM 0 HD22 LEU A 103 12.192 -1.521 6.151 1.00 0.00 H new ATOM 0 HD23 LEU A 103 11.060 -2.894 6.181 1.00 0.00 H new ATOM 1311 N LYS A 104 9.125 1.815 9.390 1.00 0.00 N ATOM 1312 CA LYS A 104 8.169 2.052 10.471 1.00 0.00 C ATOM 1313 C LYS A 104 7.144 0.907 10.506 1.00 0.00 C ATOM 1314 O LYS A 104 7.166 0.024 9.646 1.00 0.00 O ATOM 1315 CB LYS A 104 7.468 3.415 10.277 1.00 0.00 C ATOM 1316 CG LYS A 104 8.348 4.665 10.468 1.00 0.00 C ATOM 1317 CD LYS A 104 9.044 5.145 9.183 1.00 0.00 C ATOM 1318 CE LYS A 104 9.707 6.522 9.359 1.00 0.00 C ATOM 1319 NZ LYS A 104 10.950 6.499 10.160 1.00 0.00 N ATOM 0 H LYS A 104 9.119 2.557 8.690 1.00 0.00 H new ATOM 0 HA LYS A 104 8.697 2.080 11.424 1.00 0.00 H new ATOM 0 HB2 LYS A 104 7.046 3.443 9.272 1.00 0.00 H new ATOM 0 HB3 LYS A 104 6.633 3.474 10.975 1.00 0.00 H new ATOM 0 HG2 LYS A 104 7.731 5.474 10.858 1.00 0.00 H new ATOM 0 HG3 LYS A 104 9.106 4.451 11.221 1.00 0.00 H new ATOM 0 HD2 LYS A 104 9.798 4.416 8.887 1.00 0.00 H new ATOM 0 HD3 LYS A 104 8.315 5.196 8.374 1.00 0.00 H new ATOM 0 HE2 LYS A 104 9.930 6.934 8.375 1.00 0.00 H new ATOM 0 HE3 LYS A 104 8.995 7.198 9.833 1.00 0.00 H new ATOM 0 HZ1 LYS A 104 11.334 7.463 10.232 1.00 0.00 H new ATOM 0 HZ2 LYS A 104 10.743 6.137 11.113 1.00 0.00 H new ATOM 0 HZ3 LYS A 104 11.648 5.881 9.699 1.00 0.00 H new ATOM 1333 N ALA A 105 6.232 0.905 11.480 1.00 0.00 N ATOM 1334 CA ALA A 105 5.262 -0.166 11.674 1.00 0.00 C ATOM 1335 C ALA A 105 3.932 0.426 12.133 1.00 0.00 C ATOM 1336 O ALA A 105 3.813 0.822 13.294 1.00 0.00 O ATOM 1337 CB ALA A 105 5.805 -1.173 12.700 1.00 0.00 C ATOM 0 H ALA A 105 6.148 1.658 12.163 1.00 0.00 H new ATOM 0 HA ALA A 105 5.096 -0.692 10.734 1.00 0.00 H new ATOM 0 HB1 ALA A 105 5.079 -1.973 12.844 1.00 0.00 H new ATOM 0 HB2 ALA A 105 6.742 -1.594 12.335 1.00 0.00 H new ATOM 0 HB3 ALA A 105 5.980 -0.667 13.649 1.00 0.00 H new ATOM 1343 N LYS A 106 2.931 0.470 11.248 1.00 0.00 N ATOM 1344 CA LYS A 106 1.556 0.836 11.588 1.00 0.00 C ATOM 1345 C LYS A 106 0.685 -0.350 11.190 1.00 0.00 C ATOM 1346 O LYS A 106 0.565 -0.640 10.000 1.00 0.00 O ATOM 1347 CB LYS A 106 1.142 2.146 10.887 1.00 0.00 C ATOM 1348 CG LYS A 106 -0.233 2.669 11.347 1.00 0.00 C ATOM 1349 CD LYS A 106 -0.196 4.022 12.066 1.00 0.00 C ATOM 1350 CE LYS A 106 -0.101 5.187 11.073 1.00 0.00 C ATOM 1351 NZ LYS A 106 -0.047 6.488 11.770 1.00 0.00 N ATOM 0 H LYS A 106 3.057 0.249 10.260 1.00 0.00 H new ATOM 0 HA LYS A 106 1.444 1.037 12.653 1.00 0.00 H new ATOM 0 HB2 LYS A 106 1.897 2.908 11.079 1.00 0.00 H new ATOM 0 HB3 LYS A 106 1.120 1.983 9.809 1.00 0.00 H new ATOM 0 HG2 LYS A 106 -0.884 2.753 10.477 1.00 0.00 H new ATOM 0 HG3 LYS A 106 -0.683 1.932 12.012 1.00 0.00 H new ATOM 0 HD2 LYS A 106 -1.092 4.135 12.676 1.00 0.00 H new ATOM 0 HD3 LYS A 106 0.657 4.051 12.744 1.00 0.00 H new ATOM 0 HE2 LYS A 106 0.788 5.067 10.454 1.00 0.00 H new ATOM 0 HE3 LYS A 106 -0.961 5.167 10.403 1.00 0.00 H new ATOM 0 HZ1 LYS A 106 0.017 7.254 11.070 1.00 0.00 H new ATOM 0 HZ2 LYS A 106 -0.907 6.612 12.341 1.00 0.00 H new ATOM 0 HZ3 LYS A 106 0.787 6.515 12.390 1.00 0.00 H new ATOM 1365 N ALA A 107 0.168 -1.096 12.164 1.00 0.00 N ATOM 1366 CA ALA A 107 -0.845 -2.112 11.906 1.00 0.00 C ATOM 1367 C ALA A 107 -2.202 -1.418 11.808 1.00 0.00 C ATOM 1368 O ALA A 107 -2.451 -0.503 12.596 1.00 0.00 O ATOM 1369 CB ALA A 107 -0.850 -3.136 13.047 1.00 0.00 C ATOM 0 H ALA A 107 0.437 -1.013 13.144 1.00 0.00 H new ATOM 0 HA ALA A 107 -0.631 -2.637 10.975 1.00 0.00 H new ATOM 0 HB1 ALA A 107 -1.608 -3.894 12.852 1.00 0.00 H new ATOM 0 HB2 ALA A 107 0.129 -3.610 13.114 1.00 0.00 H new ATOM 0 HB3 ALA A 107 -1.074 -2.632 13.987 1.00 0.00 H new ATOM 1375 N LEU A 108 -3.061 -1.851 10.883 1.00 0.00 N ATOM 1376 CA LEU A 108 -4.453 -1.424 10.760 1.00 0.00 C ATOM 1377 C LEU A 108 -5.282 -2.683 10.529 1.00 0.00 C ATOM 1378 O LEU A 108 -4.913 -3.520 9.698 1.00 0.00 O ATOM 1379 CB LEU A 108 -4.694 -0.464 9.572 1.00 0.00 C ATOM 1380 CG LEU A 108 -4.066 0.944 9.593 1.00 0.00 C ATOM 1381 CD1 LEU A 108 -4.395 1.755 10.850 1.00 0.00 C ATOM 1382 CD2 LEU A 108 -2.558 0.912 9.347 1.00 0.00 C ATOM 0 H LEU A 108 -2.795 -2.534 10.174 1.00 0.00 H new ATOM 0 HA LEU A 108 -4.728 -0.885 11.667 1.00 0.00 H new ATOM 0 HB2 LEU A 108 -4.341 -0.965 8.671 1.00 0.00 H new ATOM 0 HB3 LEU A 108 -5.772 -0.339 9.467 1.00 0.00 H new ATOM 0 HG LEU A 108 -4.536 1.466 8.760 1.00 0.00 H new ATOM 0 HD11 LEU A 108 -3.917 2.732 10.788 1.00 0.00 H new ATOM 0 HD12 LEU A 108 -5.475 1.884 10.928 1.00 0.00 H new ATOM 0 HD13 LEU A 108 -4.028 1.227 11.730 1.00 0.00 H new ATOM 0 HD21 LEU A 108 -2.164 1.928 9.372 1.00 0.00 H new ATOM 0 HD22 LEU A 108 -2.075 0.317 10.122 1.00 0.00 H new ATOM 0 HD23 LEU A 108 -2.358 0.469 8.372 1.00 0.00 H new ATOM 1394 N THR A 109 -6.420 -2.819 11.202 1.00 0.00 N ATOM 1395 CA THR A 109 -7.383 -3.885 10.956 1.00 0.00 C ATOM 1396 C THR A 109 -7.948 -3.754 9.526 1.00 0.00 C ATOM 1397 O THR A 109 -8.003 -2.653 8.964 1.00 0.00 O ATOM 1398 CB THR A 109 -8.488 -3.850 12.040 1.00 0.00 C ATOM 1399 OG1 THR A 109 -8.350 -2.761 12.938 1.00 0.00 O ATOM 1400 CG2 THR A 109 -8.476 -5.118 12.883 1.00 0.00 C ATOM 0 H THR A 109 -6.703 -2.181 11.946 1.00 0.00 H new ATOM 0 HA THR A 109 -6.897 -4.858 11.023 1.00 0.00 H new ATOM 0 HB THR A 109 -9.421 -3.750 11.485 1.00 0.00 H new ATOM 0 HG1 THR A 109 -7.577 -2.913 13.521 1.00 0.00 H new ATOM 0 HG21 THR A 109 -9.263 -5.063 13.635 1.00 0.00 H new ATOM 0 HG22 THR A 109 -8.647 -5.983 12.242 1.00 0.00 H new ATOM 0 HG23 THR A 109 -7.509 -5.218 13.377 1.00 0.00 H new ATOM 1408 N LEU A 110 -8.406 -4.853 8.907 1.00 0.00 N ATOM 1409 CA LEU A 110 -9.211 -4.808 7.680 1.00 0.00 C ATOM 1410 C LEU A 110 -10.428 -3.936 7.935 1.00 0.00 C ATOM 1411 O LEU A 110 -10.798 -3.135 7.090 1.00 0.00 O ATOM 1412 CB LEU A 110 -9.739 -6.214 7.330 1.00 0.00 C ATOM 1413 CG LEU A 110 -8.782 -7.175 6.607 1.00 0.00 C ATOM 1414 CD1 LEU A 110 -9.573 -8.407 6.129 1.00 0.00 C ATOM 1415 CD2 LEU A 110 -8.147 -6.531 5.385 1.00 0.00 C ATOM 0 H LEU A 110 -8.227 -5.799 9.245 1.00 0.00 H new ATOM 0 HA LEU A 110 -8.590 -4.424 6.870 1.00 0.00 H new ATOM 0 HB2 LEU A 110 -10.059 -6.692 8.256 1.00 0.00 H new ATOM 0 HB3 LEU A 110 -10.627 -6.094 6.709 1.00 0.00 H new ATOM 0 HG LEU A 110 -7.996 -7.447 7.311 1.00 0.00 H new ATOM 0 HD11 LEU A 110 -8.901 -9.094 5.615 1.00 0.00 H new ATOM 0 HD12 LEU A 110 -10.018 -8.909 6.988 1.00 0.00 H new ATOM 0 HD13 LEU A 110 -10.361 -8.091 5.445 1.00 0.00 H new ATOM 0 HD21 LEU A 110 -7.478 -7.245 4.904 1.00 0.00 H new ATOM 0 HD22 LEU A 110 -8.927 -6.235 4.683 1.00 0.00 H new ATOM 0 HD23 LEU A 110 -7.580 -5.651 5.690 1.00 0.00 H new ATOM 1427 N SER A 111 -11.064 -4.099 9.099 1.00 0.00 N ATOM 1428 CA SER A 111 -12.209 -3.292 9.492 1.00 0.00 C ATOM 1429 C SER A 111 -11.874 -1.802 9.347 1.00 0.00 C ATOM 1430 O SER A 111 -12.559 -1.108 8.593 1.00 0.00 O ATOM 1431 CB SER A 111 -12.606 -3.674 10.922 1.00 0.00 C ATOM 1432 OG SER A 111 -13.664 -2.900 11.447 1.00 0.00 O ATOM 0 H SER A 111 -10.794 -4.797 9.792 1.00 0.00 H new ATOM 0 HA SER A 111 -13.063 -3.483 8.842 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.894 -4.725 10.940 1.00 0.00 H new ATOM 0 HB3 SER A 111 -11.736 -3.570 11.570 1.00 0.00 H new ATOM 0 HG SER A 111 -13.866 -3.198 12.359 1.00 0.00 H new ATOM 1438 N GLN A 112 -10.788 -1.356 9.991 1.00 0.00 N ATOM 1439 CA GLN A 112 -10.220 -0.029 9.945 1.00 0.00 C ATOM 1440 C GLN A 112 -10.172 0.482 8.507 1.00 0.00 C ATOM 1441 O GLN A 112 -10.900 1.410 8.160 1.00 0.00 O ATOM 1442 CB GLN A 112 -8.835 -0.095 10.605 1.00 0.00 C ATOM 1443 CG GLN A 112 -8.483 1.178 11.360 1.00 0.00 C ATOM 1444 CD GLN A 112 -7.842 0.833 12.700 1.00 0.00 C ATOM 1445 OE1 GLN A 112 -6.736 0.296 12.793 1.00 0.00 O ATOM 1446 NE2 GLN A 112 -8.574 1.076 13.764 1.00 0.00 N ATOM 0 H GLN A 112 -10.252 -1.972 10.602 1.00 0.00 H new ATOM 0 HA GLN A 112 -10.835 0.685 10.492 1.00 0.00 H new ATOM 0 HB2 GLN A 112 -8.805 -0.940 11.292 1.00 0.00 H new ATOM 0 HB3 GLN A 112 -8.081 -0.279 9.840 1.00 0.00 H new ATOM 0 HG2 GLN A 112 -7.799 1.785 10.766 1.00 0.00 H new ATOM 0 HG3 GLN A 112 -9.381 1.775 11.521 1.00 0.00 H new ATOM 0 HE21 GLN A 112 -9.486 1.521 13.665 1.00 0.00 H new ATOM 0 HE22 GLN A 112 -8.230 0.819 14.689 1.00 0.00 H new ATOM 1455 N LEU A 113 -9.358 -0.143 7.652 1.00 0.00 N ATOM 1456 CA LEU A 113 -9.164 0.330 6.285 1.00 0.00 C ATOM 1457 C LEU A 113 -10.455 0.248 5.471 1.00 0.00 C ATOM 1458 O LEU A 113 -10.628 1.027 4.532 1.00 0.00 O ATOM 1459 CB LEU A 113 -8.074 -0.471 5.555 1.00 0.00 C ATOM 1460 CG LEU A 113 -6.644 -0.364 6.108 1.00 0.00 C ATOM 1461 CD1 LEU A 113 -5.734 -1.223 5.223 1.00 0.00 C ATOM 1462 CD2 LEU A 113 -6.116 1.076 6.127 1.00 0.00 C ATOM 0 H LEU A 113 -8.823 -0.979 7.886 1.00 0.00 H new ATOM 0 HA LEU A 113 -8.853 1.371 6.367 1.00 0.00 H new ATOM 0 HB2 LEU A 113 -8.363 -1.522 5.563 1.00 0.00 H new ATOM 0 HB3 LEU A 113 -8.059 -0.152 4.513 1.00 0.00 H new ATOM 0 HG LEU A 113 -6.652 -0.709 7.142 1.00 0.00 H new ATOM 0 HD11 LEU A 113 -4.710 -1.167 5.592 1.00 0.00 H new ATOM 0 HD12 LEU A 113 -6.073 -2.259 5.249 1.00 0.00 H new ATOM 0 HD13 LEU A 113 -5.771 -0.855 4.198 1.00 0.00 H new ATOM 0 HD21 LEU A 113 -5.102 1.087 6.528 1.00 0.00 H new ATOM 0 HD22 LEU A 113 -6.109 1.475 5.112 1.00 0.00 H new ATOM 0 HD23 LEU A 113 -6.761 1.692 6.754 1.00 0.00 H new ATOM 1474 N LYS A 114 -11.341 -0.722 5.734 1.00 0.00 N ATOM 1475 CA LYS A 114 -12.557 -0.893 4.948 1.00 0.00 C ATOM 1476 C LYS A 114 -13.495 0.271 5.260 1.00 0.00 C ATOM 1477 O LYS A 114 -14.133 0.804 4.354 1.00 0.00 O ATOM 1478 CB LYS A 114 -13.188 -2.270 5.225 1.00 0.00 C ATOM 1479 CG LYS A 114 -14.299 -2.533 4.195 1.00 0.00 C ATOM 1480 CD LYS A 114 -15.086 -3.832 4.419 1.00 0.00 C ATOM 1481 CE LYS A 114 -14.372 -5.104 3.953 1.00 0.00 C ATOM 1482 NZ LYS A 114 -15.313 -6.238 3.817 1.00 0.00 N ATOM 0 H LYS A 114 -11.232 -1.399 6.489 1.00 0.00 H new ATOM 0 HA LYS A 114 -12.337 -0.876 3.880 1.00 0.00 H new ATOM 0 HB2 LYS A 114 -12.429 -3.050 5.166 1.00 0.00 H new ATOM 0 HB3 LYS A 114 -13.597 -2.299 6.235 1.00 0.00 H new ATOM 0 HG2 LYS A 114 -14.996 -1.695 4.210 1.00 0.00 H new ATOM 0 HG3 LYS A 114 -13.855 -2.560 3.200 1.00 0.00 H new ATOM 0 HD2 LYS A 114 -15.309 -3.926 5.482 1.00 0.00 H new ATOM 0 HD3 LYS A 114 -16.040 -3.756 3.898 1.00 0.00 H new ATOM 0 HE2 LYS A 114 -13.884 -4.918 2.996 1.00 0.00 H new ATOM 0 HE3 LYS A 114 -13.589 -5.364 4.665 1.00 0.00 H new ATOM 0 HZ1 LYS A 114 -14.795 -7.082 3.500 1.00 0.00 H new ATOM 0 HZ2 LYS A 114 -15.760 -6.431 4.736 1.00 0.00 H new ATOM 0 HZ3 LYS A 114 -16.046 -5.999 3.119 1.00 0.00 H new ATOM 1496 N LYS A 115 -13.569 0.686 6.529 1.00 0.00 N ATOM 1497 CA LYS A 115 -14.323 1.847 6.941 1.00 0.00 C ATOM 1498 C LYS A 115 -13.666 3.092 6.346 1.00 0.00 C ATOM 1499 O LYS A 115 -14.372 3.858 5.691 1.00 0.00 O ATOM 1500 CB LYS A 115 -14.365 1.902 8.478 1.00 0.00 C ATOM 1501 CG LYS A 115 -15.772 1.719 9.077 1.00 0.00 C ATOM 1502 CD LYS A 115 -16.048 0.279 9.536 1.00 0.00 C ATOM 1503 CE LYS A 115 -16.109 -0.773 8.423 1.00 0.00 C ATOM 1504 NZ LYS A 115 -17.421 -0.799 7.748 1.00 0.00 N ATOM 0 H LYS A 115 -13.097 0.211 7.299 1.00 0.00 H new ATOM 0 HA LYS A 115 -15.350 1.795 6.581 1.00 0.00 H new ATOM 0 HB2 LYS A 115 -13.709 1.128 8.876 1.00 0.00 H new ATOM 0 HB3 LYS A 115 -13.964 2.860 8.807 1.00 0.00 H new ATOM 0 HG2 LYS A 115 -15.890 2.393 9.925 1.00 0.00 H new ATOM 0 HG3 LYS A 115 -16.517 2.007 8.335 1.00 0.00 H new ATOM 0 HD2 LYS A 115 -15.272 -0.012 10.244 1.00 0.00 H new ATOM 0 HD3 LYS A 115 -16.994 0.265 10.077 1.00 0.00 H new ATOM 0 HE2 LYS A 115 -15.329 -0.568 7.689 1.00 0.00 H new ATOM 0 HE3 LYS A 115 -15.900 -1.756 8.844 1.00 0.00 H new ATOM 0 HZ1 LYS A 115 -17.414 -1.525 7.004 1.00 0.00 H new ATOM 0 HZ2 LYS A 115 -18.164 -1.021 8.441 1.00 0.00 H new ATOM 0 HZ3 LYS A 115 -17.611 0.131 7.323 1.00 0.00 H new ATOM 1518 N GLU A 116 -12.351 3.271 6.518 1.00 0.00 N ATOM 1519 CA GLU A 116 -11.641 4.477 6.095 1.00 0.00 C ATOM 1520 C GLU A 116 -11.849 4.763 4.610 1.00 0.00 C ATOM 1521 O GLU A 116 -12.080 5.915 4.226 1.00 0.00 O ATOM 1522 CB GLU A 116 -10.127 4.366 6.341 1.00 0.00 C ATOM 1523 CG GLU A 116 -9.607 4.494 7.776 1.00 0.00 C ATOM 1524 CD GLU A 116 -10.201 5.696 8.499 1.00 0.00 C ATOM 1525 OE1 GLU A 116 -9.675 6.818 8.365 1.00 0.00 O ATOM 1526 OE2 GLU A 116 -11.233 5.511 9.190 1.00 0.00 O ATOM 0 H GLU A 116 -11.748 2.576 6.958 1.00 0.00 H new ATOM 0 HA GLU A 116 -12.055 5.288 6.693 1.00 0.00 H new ATOM 0 HB2 GLU A 116 -9.799 3.401 5.955 1.00 0.00 H new ATOM 0 HB3 GLU A 116 -9.637 5.133 5.741 1.00 0.00 H new ATOM 0 HG2 GLU A 116 -9.845 3.585 8.329 1.00 0.00 H new ATOM 0 HG3 GLU A 116 -8.521 4.582 7.760 1.00 0.00 H new ATOM 1533 N PHE A 117 -11.742 3.724 3.778 1.00 0.00 N ATOM 1534 CA PHE A 117 -11.448 3.889 2.362 1.00 0.00 C ATOM 1535 C PHE A 117 -12.211 2.911 1.463 1.00 0.00 C ATOM 1536 O PHE A 117 -11.824 2.674 0.318 1.00 0.00 O ATOM 1537 CB PHE A 117 -9.951 3.689 2.168 1.00 0.00 C ATOM 1538 CG PHE A 117 -9.011 4.529 3.008 1.00 0.00 C ATOM 1539 CD1 PHE A 117 -9.118 5.932 3.029 1.00 0.00 C ATOM 1540 CD2 PHE A 117 -8.024 3.892 3.780 1.00 0.00 C ATOM 1541 CE1 PHE A 117 -8.263 6.689 3.851 1.00 0.00 C ATOM 1542 CE2 PHE A 117 -7.173 4.650 4.598 1.00 0.00 C ATOM 1543 CZ PHE A 117 -7.295 6.049 4.641 1.00 0.00 C ATOM 0 H PHE A 117 -11.857 2.753 4.069 1.00 0.00 H new ATOM 0 HA PHE A 117 -11.768 4.889 2.069 1.00 0.00 H new ATOM 0 HB2 PHE A 117 -9.726 2.640 2.361 1.00 0.00 H new ATOM 0 HB3 PHE A 117 -9.721 3.877 1.119 1.00 0.00 H new ATOM 0 HD1 PHE A 117 -9.856 6.427 2.415 1.00 0.00 H new ATOM 0 HD2 PHE A 117 -7.921 2.818 3.743 1.00 0.00 H new ATOM 0 HE1 PHE A 117 -8.352 7.765 3.874 1.00 0.00 H new ATOM 0 HE2 PHE A 117 -6.422 4.157 5.197 1.00 0.00 H new ATOM 0 HZ PHE A 117 -6.646 6.630 5.280 1.00 0.00 H new ATOM 1553 N TYR A 118 -13.268 2.265 1.958 1.00 0.00 N ATOM 1554 CA TYR A 118 -14.081 1.410 1.097 1.00 0.00 C ATOM 1555 C TYR A 118 -15.547 1.398 1.541 1.00 0.00 C ATOM 1556 O TYR A 118 -16.198 0.346 1.575 1.00 0.00 O ATOM 1557 CB TYR A 118 -13.415 0.021 0.982 1.00 0.00 C ATOM 1558 CG TYR A 118 -13.694 -0.707 -0.321 1.00 0.00 C ATOM 1559 CD1 TYR A 118 -13.068 -0.296 -1.521 1.00 0.00 C ATOM 1560 CD2 TYR A 118 -14.601 -1.782 -0.334 1.00 0.00 C ATOM 1561 CE1 TYR A 118 -13.348 -0.966 -2.732 1.00 0.00 C ATOM 1562 CE2 TYR A 118 -14.916 -2.424 -1.542 1.00 0.00 C ATOM 1563 CZ TYR A 118 -14.297 -2.023 -2.745 1.00 0.00 C ATOM 1564 OH TYR A 118 -14.710 -2.616 -3.901 1.00 0.00 O ATOM 0 H TYR A 118 -13.575 2.316 2.929 1.00 0.00 H new ATOM 0 HA TYR A 118 -14.120 1.814 0.085 1.00 0.00 H new ATOM 0 HB2 TYR A 118 -12.337 0.139 1.094 1.00 0.00 H new ATOM 0 HB3 TYR A 118 -13.755 -0.600 1.810 1.00 0.00 H new ATOM 0 HD1 TYR A 118 -12.375 0.532 -1.511 1.00 0.00 H new ATOM 0 HD2 TYR A 118 -15.056 -2.114 0.587 1.00 0.00 H new ATOM 0 HE1 TYR A 118 -12.844 -0.677 -3.642 1.00 0.00 H new ATOM 0 HE2 TYR A 118 -15.636 -3.229 -1.551 1.00 0.00 H new ATOM 0 HH TYR A 118 -14.639 -3.589 -3.813 1.00 0.00 H new ATOM 1574 N GLN A 119 -16.073 2.575 1.901 1.00 0.00 N ATOM 1575 CA GLN A 119 -17.383 2.732 2.533 1.00 0.00 C ATOM 1576 C GLN A 119 -18.486 3.217 1.583 1.00 0.00 C ATOM 1577 O GLN A 119 -19.659 2.916 1.808 1.00 0.00 O ATOM 1578 CB GLN A 119 -17.252 3.614 3.786 1.00 0.00 C ATOM 1579 CG GLN A 119 -17.052 5.135 3.620 1.00 0.00 C ATOM 1580 CD GLN A 119 -15.789 5.600 2.888 1.00 0.00 C ATOM 1581 OE1 GLN A 119 -15.832 6.485 2.046 1.00 0.00 O ATOM 1582 NE2 GLN A 119 -14.628 5.027 3.120 1.00 0.00 N ATOM 0 H GLN A 119 -15.588 3.461 1.757 1.00 0.00 H new ATOM 0 HA GLN A 119 -17.716 1.738 2.833 1.00 0.00 H new ATOM 0 HB2 GLN A 119 -18.149 3.465 4.387 1.00 0.00 H new ATOM 0 HB3 GLN A 119 -16.412 3.234 4.368 1.00 0.00 H new ATOM 0 HG2 GLN A 119 -17.916 5.533 3.088 1.00 0.00 H new ATOM 0 HG3 GLN A 119 -17.053 5.586 4.612 1.00 0.00 H new ATOM 0 HE21 GLN A 119 -14.556 4.285 3.816 1.00 0.00 H new ATOM 0 HE22 GLN A 119 -13.800 5.325 2.604 1.00 0.00 H new ATOM 1591 N THR A 120 -18.135 3.938 0.520 1.00 0.00 N ATOM 1592 CA THR A 120 -19.068 4.506 -0.463 1.00 0.00 C ATOM 1593 C THR A 120 -19.255 3.523 -1.631 1.00 0.00 C ATOM 1594 O THR A 120 -18.774 2.390 -1.561 1.00 0.00 O ATOM 1595 CB THR A 120 -18.550 5.890 -0.884 1.00 0.00 C ATOM 1596 OG1 THR A 120 -17.227 5.749 -1.330 1.00 0.00 O ATOM 1597 CG2 THR A 120 -18.529 6.859 0.297 1.00 0.00 C ATOM 0 H THR A 120 -17.161 4.153 0.308 1.00 0.00 H new ATOM 0 HA THR A 120 -20.061 4.652 -0.037 1.00 0.00 H new ATOM 0 HB THR A 120 -19.209 6.280 -1.660 1.00 0.00 H new ATOM 0 HG1 THR A 120 -16.880 6.623 -1.605 1.00 0.00 H new ATOM 0 HG21 THR A 120 -18.158 7.829 -0.035 1.00 0.00 H new ATOM 0 HG22 THR A 120 -19.538 6.973 0.692 1.00 0.00 H new ATOM 0 HG23 THR A 120 -17.876 6.468 1.077 1.00 0.00 H new ATOM 1605 N ARG A 121 -19.988 3.886 -2.689 1.00 0.00 N ATOM 1606 CA ARG A 121 -20.275 2.989 -3.812 1.00 0.00 C ATOM 1607 C ARG A 121 -19.375 3.302 -4.995 1.00 0.00 C ATOM 1608 O ARG A 121 -18.795 2.383 -5.565 1.00 0.00 O ATOM 1609 CB ARG A 121 -21.771 3.065 -4.191 1.00 0.00 C ATOM 1610 CG ARG A 121 -22.409 1.668 -4.274 1.00 0.00 C ATOM 1611 CD ARG A 121 -23.805 1.599 -3.622 1.00 0.00 C ATOM 1612 NE ARG A 121 -24.014 0.292 -2.973 1.00 0.00 N ATOM 1613 CZ ARG A 121 -23.338 -0.156 -1.906 1.00 0.00 C ATOM 1614 NH1 ARG A 121 -22.567 0.666 -1.204 1.00 0.00 N ATOM 1615 NH2 ARG A 121 -23.409 -1.421 -1.527 1.00 0.00 N ATOM 0 H ARG A 121 -20.400 4.814 -2.790 1.00 0.00 H new ATOM 0 HA ARG A 121 -20.062 1.964 -3.507 1.00 0.00 H new ATOM 0 HB2 ARG A 121 -22.303 3.665 -3.453 1.00 0.00 H new ATOM 0 HB3 ARG A 121 -21.878 3.571 -5.150 1.00 0.00 H new ATOM 0 HG2 ARG A 121 -22.489 1.373 -5.320 1.00 0.00 H new ATOM 0 HG3 ARG A 121 -21.752 0.946 -3.789 1.00 0.00 H new ATOM 0 HD2 ARG A 121 -23.908 2.396 -2.886 1.00 0.00 H new ATOM 0 HD3 ARG A 121 -24.573 1.762 -4.378 1.00 0.00 H new ATOM 0 HE ARG A 121 -24.729 -0.319 -3.367 1.00 0.00 H new ATOM 0 HH11 ARG A 121 -22.486 1.646 -1.476 1.00 0.00 H new ATOM 0 HH12 ARG A 121 -22.056 0.318 -0.393 1.00 0.00 H new ATOM 0 HH21 ARG A 121 -23.987 -2.078 -2.050 1.00 0.00 H new ATOM 0 HH22 ARG A 121 -22.885 -1.739 -0.711 1.00 0.00 H new ATOM 1629 N SER A 122 -19.218 4.570 -5.373 1.00 0.00 N ATOM 1630 CA SER A 122 -18.304 4.927 -6.456 1.00 0.00 C ATOM 1631 C SER A 122 -16.856 4.572 -6.102 1.00 0.00 C ATOM 1632 O SER A 122 -16.111 4.150 -6.975 1.00 0.00 O ATOM 1633 CB SER A 122 -18.473 6.400 -6.809 1.00 0.00 C ATOM 1634 OG SER A 122 -19.778 6.611 -7.313 1.00 0.00 O ATOM 0 H SER A 122 -19.706 5.359 -4.950 1.00 0.00 H new ATOM 0 HA SER A 122 -18.553 4.341 -7.341 1.00 0.00 H new ATOM 0 HB2 SER A 122 -18.306 7.019 -5.927 1.00 0.00 H new ATOM 0 HB3 SER A 122 -17.731 6.696 -7.551 1.00 0.00 H new ATOM 0 HG SER A 122 -19.892 7.558 -7.540 1.00 0.00 H new ATOM 1640 N GLN A 123 -16.460 4.611 -4.825 1.00 0.00 N ATOM 1641 CA GLN A 123 -15.108 4.241 -4.396 1.00 0.00 C ATOM 1642 C GLN A 123 -14.767 2.779 -4.696 1.00 0.00 C ATOM 1643 O GLN A 123 -13.599 2.405 -4.664 1.00 0.00 O ATOM 1644 CB GLN A 123 -15.026 4.519 -2.900 1.00 0.00 C ATOM 1645 CG GLN A 123 -13.682 4.338 -2.185 1.00 0.00 C ATOM 1646 CD GLN A 123 -13.730 4.854 -0.747 1.00 0.00 C ATOM 1647 OE1 GLN A 123 -14.858 4.736 -0.067 1.00 0.00 O flip ATOM 1648 NE2 GLN A 123 -12.761 5.383 -0.225 1.00 0.00 N flip ATOM 0 H GLN A 123 -17.069 4.900 -4.060 1.00 0.00 H new ATOM 0 HA GLN A 123 -14.378 4.829 -4.953 1.00 0.00 H new ATOM 0 HB2 GLN A 123 -15.350 5.547 -2.738 1.00 0.00 H new ATOM 0 HB3 GLN A 123 -15.752 3.874 -2.405 1.00 0.00 H new ATOM 0 HG2 GLN A 123 -13.410 3.282 -2.183 1.00 0.00 H new ATOM 0 HG3 GLN A 123 -12.904 4.867 -2.735 1.00 0.00 H new ATOM 0 HE21 GLN A 123 -11.889 5.476 -0.746 1.00 0.00 H new ATOM 0 HE22 GLN A 123 -12.824 5.732 0.732 1.00 0.00 H new ATOM 1657 N LYS A 124 -15.764 1.928 -4.968 1.00 0.00 N ATOM 1658 CA LYS A 124 -15.523 0.559 -5.422 1.00 0.00 C ATOM 1659 C LYS A 124 -14.857 0.547 -6.797 1.00 0.00 C ATOM 1660 O LYS A 124 -14.198 -0.437 -7.125 1.00 0.00 O ATOM 1661 CB LYS A 124 -16.836 -0.237 -5.462 1.00 0.00 C ATOM 1662 CG LYS A 124 -17.533 -0.259 -4.092 1.00 0.00 C ATOM 1663 CD LYS A 124 -18.824 -1.084 -4.080 1.00 0.00 C ATOM 1664 CE LYS A 124 -18.605 -2.467 -3.468 1.00 0.00 C ATOM 1665 NZ LYS A 124 -17.620 -3.280 -4.211 1.00 0.00 N ATOM 0 H LYS A 124 -16.751 2.169 -4.880 1.00 0.00 H new ATOM 0 HA LYS A 124 -14.848 0.085 -4.710 1.00 0.00 H new ATOM 0 HB2 LYS A 124 -17.504 0.202 -6.203 1.00 0.00 H new ATOM 0 HB3 LYS A 124 -16.632 -1.259 -5.782 1.00 0.00 H new ATOM 0 HG2 LYS A 124 -16.845 -0.663 -3.349 1.00 0.00 H new ATOM 0 HG3 LYS A 124 -17.761 0.764 -3.792 1.00 0.00 H new ATOM 0 HD2 LYS A 124 -19.590 -0.553 -3.515 1.00 0.00 H new ATOM 0 HD3 LYS A 124 -19.197 -1.192 -5.099 1.00 0.00 H new ATOM 0 HE2 LYS A 124 -18.269 -2.353 -2.437 1.00 0.00 H new ATOM 0 HE3 LYS A 124 -19.556 -2.999 -3.436 1.00 0.00 H new ATOM 0 HZ1 LYS A 124 -17.697 -4.274 -3.915 1.00 0.00 H new ATOM 0 HZ2 LYS A 124 -17.808 -3.207 -5.231 1.00 0.00 H new ATOM 0 HZ3 LYS A 124 -16.661 -2.932 -4.010 1.00 0.00 H new ATOM 1679 N ARG A 125 -15.049 1.607 -7.585 1.00 0.00 N ATOM 1680 CA ARG A 125 -14.314 1.868 -8.807 1.00 0.00 C ATOM 1681 C ARG A 125 -12.974 2.396 -8.385 1.00 0.00 C ATOM 1682 O ARG A 125 -12.005 1.680 -8.565 1.00 0.00 O ATOM 1683 CB ARG A 125 -15.043 2.852 -9.742 1.00 0.00 C ATOM 1684 CG ARG A 125 -16.481 2.379 -9.894 1.00 0.00 C ATOM 1685 CD ARG A 125 -17.211 2.893 -11.129 1.00 0.00 C ATOM 1686 NE ARG A 125 -17.904 4.177 -10.930 1.00 0.00 N ATOM 1687 CZ ARG A 125 -19.005 4.560 -11.592 1.00 0.00 C ATOM 1688 NH1 ARG A 125 -19.535 3.760 -12.515 1.00 0.00 N ATOM 1689 NH2 ARG A 125 -19.577 5.730 -11.327 1.00 0.00 N ATOM 0 H ARG A 125 -15.743 2.325 -7.377 1.00 0.00 H new ATOM 0 HA ARG A 125 -14.215 0.953 -9.391 1.00 0.00 H new ATOM 0 HB2 ARG A 125 -15.015 3.861 -9.330 1.00 0.00 H new ATOM 0 HB3 ARG A 125 -14.550 2.891 -10.713 1.00 0.00 H new ATOM 0 HG2 ARG A 125 -16.487 1.289 -9.917 1.00 0.00 H new ATOM 0 HG3 ARG A 125 -17.041 2.682 -9.009 1.00 0.00 H new ATOM 0 HD2 ARG A 125 -16.493 3.003 -11.942 1.00 0.00 H new ATOM 0 HD3 ARG A 125 -17.939 2.145 -11.445 1.00 0.00 H new ATOM 0 HE ARG A 125 -17.519 4.821 -10.239 1.00 0.00 H new ATOM 0 HH11 ARG A 125 -19.103 2.858 -12.717 1.00 0.00 H new ATOM 0 HH12 ARG A 125 -20.373 4.049 -13.020 1.00 0.00 H new ATOM 0 HH21 ARG A 125 -19.178 6.343 -10.616 1.00 0.00 H new ATOM 0 HH22 ARG A 125 -20.415 6.015 -11.835 1.00 0.00 H new ATOM 1703 N GLU A 126 -12.929 3.595 -7.799 1.00 0.00 N ATOM 1704 CA GLU A 126 -11.714 4.389 -7.799 1.00 0.00 C ATOM 1705 C GLU A 126 -10.515 3.623 -7.255 1.00 0.00 C ATOM 1706 O GLU A 126 -9.466 3.578 -7.884 1.00 0.00 O ATOM 1707 CB GLU A 126 -11.883 5.652 -6.932 1.00 0.00 C ATOM 1708 CG GLU A 126 -12.064 6.936 -7.728 1.00 0.00 C ATOM 1709 CD GLU A 126 -13.297 6.948 -8.633 1.00 0.00 C ATOM 1710 OE1 GLU A 126 -14.295 6.262 -8.314 1.00 0.00 O ATOM 1711 OE2 GLU A 126 -13.275 7.713 -9.624 1.00 0.00 O ATOM 0 H GLU A 126 -13.720 4.029 -7.323 1.00 0.00 H new ATOM 0 HA GLU A 126 -11.533 4.650 -8.842 1.00 0.00 H new ATOM 0 HB2 GLU A 126 -12.746 5.518 -6.279 1.00 0.00 H new ATOM 0 HB3 GLU A 126 -11.009 5.757 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 126 -12.129 7.774 -7.034 1.00 0.00 H new ATOM 0 HG3 GLU A 126 -11.177 7.098 -8.340 1.00 0.00 H new ATOM 1718 N VAL A 127 -10.692 3.043 -6.069 1.00 0.00 N ATOM 1719 CA VAL A 127 -9.679 2.245 -5.394 1.00 0.00 C ATOM 1720 C VAL A 127 -9.185 1.157 -6.340 1.00 0.00 C ATOM 1721 O VAL A 127 -7.985 1.034 -6.551 1.00 0.00 O ATOM 1722 CB VAL A 127 -10.279 1.658 -4.101 1.00 0.00 C ATOM 1723 CG1 VAL A 127 -9.450 0.524 -3.476 1.00 0.00 C ATOM 1724 CG2 VAL A 127 -10.456 2.788 -3.075 1.00 0.00 C ATOM 0 H VAL A 127 -11.563 3.118 -5.543 1.00 0.00 H new ATOM 0 HA VAL A 127 -8.823 2.860 -5.117 1.00 0.00 H new ATOM 0 HB VAL A 127 -11.235 1.213 -4.378 1.00 0.00 H new ATOM 0 HG11 VAL A 127 -9.943 0.169 -2.571 1.00 0.00 H new ATOM 0 HG12 VAL A 127 -9.362 -0.297 -4.187 1.00 0.00 H new ATOM 0 HG13 VAL A 127 -8.456 0.895 -3.226 1.00 0.00 H new ATOM 0 HG21 VAL A 127 -10.880 2.382 -2.156 1.00 0.00 H new ATOM 0 HG22 VAL A 127 -9.487 3.239 -2.859 1.00 0.00 H new ATOM 0 HG23 VAL A 127 -11.126 3.546 -3.480 1.00 0.00 H new ATOM 1734 N ASP A 128 -10.092 0.336 -6.870 1.00 0.00 N ATOM 1735 CA ASP A 128 -9.698 -0.774 -7.722 1.00 0.00 C ATOM 1736 C ASP A 128 -9.114 -0.298 -9.046 1.00 0.00 C ATOM 1737 O ASP A 128 -8.308 -0.992 -9.658 1.00 0.00 O ATOM 1738 CB ASP A 128 -10.880 -1.706 -7.977 1.00 0.00 C ATOM 1739 CG ASP A 128 -10.328 -3.104 -8.226 1.00 0.00 C ATOM 1740 OD1 ASP A 128 -9.927 -3.734 -7.223 1.00 0.00 O ATOM 1741 OD2 ASP A 128 -10.287 -3.564 -9.393 1.00 0.00 O ATOM 0 H ASP A 128 -11.098 0.422 -6.723 1.00 0.00 H new ATOM 0 HA ASP A 128 -8.919 -1.322 -7.192 1.00 0.00 H new ATOM 0 HB2 ASP A 128 -11.555 -1.709 -7.121 1.00 0.00 H new ATOM 0 HB3 ASP A 128 -11.457 -1.365 -8.837 1.00 0.00 H new ATOM 1746 N ASP A 129 -9.526 0.872 -9.520 1.00 0.00 N ATOM 1747 CA ASP A 129 -9.025 1.492 -10.738 1.00 0.00 C ATOM 1748 C ASP A 129 -7.551 1.853 -10.565 1.00 0.00 C ATOM 1749 O ASP A 129 -6.753 1.607 -11.461 1.00 0.00 O ATOM 1750 CB ASP A 129 -9.874 2.710 -11.092 1.00 0.00 C ATOM 1751 CG ASP A 129 -9.512 3.265 -12.464 1.00 0.00 C ATOM 1752 OD1 ASP A 129 -9.682 2.525 -13.456 1.00 0.00 O ATOM 1753 OD2 ASP A 129 -9.208 4.482 -12.542 1.00 0.00 O ATOM 0 H ASP A 129 -10.239 1.431 -9.052 1.00 0.00 H new ATOM 0 HA ASP A 129 -9.100 0.789 -11.568 1.00 0.00 H new ATOM 0 HB2 ASP A 129 -10.929 2.436 -11.076 1.00 0.00 H new ATOM 0 HB3 ASP A 129 -9.734 3.484 -10.337 1.00 0.00 H new ATOM 1758 N TYR A 130 -7.159 2.319 -9.374 1.00 0.00 N ATOM 1759 CA TYR A 130 -5.759 2.503 -8.996 1.00 0.00 C ATOM 1760 C TYR A 130 -5.003 1.161 -8.994 1.00 0.00 C ATOM 1761 O TYR A 130 -3.825 1.116 -9.346 1.00 0.00 O ATOM 1762 CB TYR A 130 -5.672 3.201 -7.633 1.00 0.00 C ATOM 1763 CG TYR A 130 -6.463 4.494 -7.445 1.00 0.00 C ATOM 1764 CD1 TYR A 130 -6.800 5.337 -8.525 1.00 0.00 C ATOM 1765 CD2 TYR A 130 -6.885 4.854 -6.152 1.00 0.00 C ATOM 1766 CE1 TYR A 130 -7.547 6.510 -8.316 1.00 0.00 C ATOM 1767 CE2 TYR A 130 -7.641 6.012 -5.932 1.00 0.00 C ATOM 1768 CZ TYR A 130 -7.994 6.843 -7.018 1.00 0.00 C ATOM 1769 OH TYR A 130 -8.772 7.946 -6.819 1.00 0.00 O ATOM 0 H TYR A 130 -7.815 2.581 -8.639 1.00 0.00 H new ATOM 0 HA TYR A 130 -5.277 3.140 -9.738 1.00 0.00 H new ATOM 0 HB2 TYR A 130 -6.001 2.493 -6.872 1.00 0.00 H new ATOM 0 HB3 TYR A 130 -4.623 3.418 -7.434 1.00 0.00 H new ATOM 0 HD1 TYR A 130 -6.481 5.078 -9.524 1.00 0.00 H new ATOM 0 HD2 TYR A 130 -6.621 4.226 -5.314 1.00 0.00 H new ATOM 0 HE1 TYR A 130 -7.779 7.157 -9.149 1.00 0.00 H new ATOM 0 HE2 TYR A 130 -7.954 6.270 -4.931 1.00 0.00 H new ATOM 0 HH TYR A 130 -8.990 8.025 -5.867 1.00 0.00 H new ATOM 1779 N VAL A 131 -5.652 0.044 -8.644 1.00 0.00 N ATOM 1780 CA VAL A 131 -5.038 -1.288 -8.741 1.00 0.00 C ATOM 1781 C VAL A 131 -4.865 -1.716 -10.207 1.00 0.00 C ATOM 1782 O VAL A 131 -4.099 -2.640 -10.485 1.00 0.00 O ATOM 1783 CB VAL A 131 -5.846 -2.350 -7.950 1.00 0.00 C ATOM 1784 CG1 VAL A 131 -5.054 -3.655 -7.805 1.00 0.00 C ATOM 1785 CG2 VAL A 131 -6.238 -1.952 -6.522 1.00 0.00 C ATOM 0 H VAL A 131 -6.608 0.036 -8.289 1.00 0.00 H new ATOM 0 HA VAL A 131 -4.049 -1.220 -8.288 1.00 0.00 H new ATOM 0 HB VAL A 131 -6.751 -2.458 -8.547 1.00 0.00 H new ATOM 0 HG11 VAL A 131 -5.646 -4.380 -7.246 1.00 0.00 H new ATOM 0 HG12 VAL A 131 -4.828 -4.055 -8.793 1.00 0.00 H new ATOM 0 HG13 VAL A 131 -4.124 -3.459 -7.272 1.00 0.00 H new ATOM 0 HG21 VAL A 131 -6.799 -2.764 -6.059 1.00 0.00 H new ATOM 0 HG22 VAL A 131 -5.338 -1.754 -5.940 1.00 0.00 H new ATOM 0 HG23 VAL A 131 -6.856 -1.055 -6.551 1.00 0.00 H new ATOM 1795 N ALA A 132 -5.539 -1.062 -11.150 1.00 0.00 N ATOM 1796 CA ALA A 132 -5.375 -1.257 -12.584 1.00 0.00 C ATOM 1797 C ALA A 132 -4.652 -0.055 -13.219 1.00 0.00 C ATOM 1798 O ALA A 132 -4.741 0.142 -14.431 1.00 0.00 O ATOM 1799 CB ALA A 132 -6.749 -1.522 -13.210 1.00 0.00 C ATOM 0 H ALA A 132 -6.240 -0.356 -10.925 1.00 0.00 H new ATOM 0 HA ALA A 132 -4.744 -2.125 -12.776 1.00 0.00 H new ATOM 0 HB1 ALA A 132 -6.637 -1.669 -14.284 1.00 0.00 H new ATOM 0 HB2 ALA A 132 -7.185 -2.416 -12.765 1.00 0.00 H new ATOM 0 HB3 ALA A 132 -7.403 -0.669 -13.027 1.00 0.00 H new ATOM 1805 N GLY A 133 -3.972 0.764 -12.411 1.00 0.00 N ATOM 1806 CA GLY A 133 -3.151 1.890 -12.838 1.00 0.00 C ATOM 1807 C GLY A 133 -1.715 1.746 -12.344 1.00 0.00 C ATOM 1808 O GLY A 133 -1.000 2.746 -12.235 1.00 0.00 O ATOM 0 H GLY A 133 -3.982 0.651 -11.397 1.00 0.00 H new ATOM 0 HA2 GLY A 133 -3.159 1.957 -13.926 1.00 0.00 H new ATOM 0 HA3 GLY A 133 -3.577 2.819 -12.458 1.00 0.00 H new ATOM 1812 N LEU A 134 -1.296 0.532 -11.970 1.00 0.00 N ATOM 1813 CA LEU A 134 0.028 0.250 -11.441 1.00 0.00 C ATOM 1814 C LEU A 134 0.722 -0.853 -12.238 1.00 0.00 C ATOM 1815 O LEU A 134 0.091 -1.721 -12.839 1.00 0.00 O ATOM 1816 CB LEU A 134 -0.056 -0.018 -9.927 1.00 0.00 C ATOM 1817 CG LEU A 134 -1.051 -1.089 -9.421 1.00 0.00 C ATOM 1818 CD1 LEU A 134 -0.588 -2.528 -9.634 1.00 0.00 C ATOM 1819 CD2 LEU A 134 -1.264 -0.911 -7.909 1.00 0.00 C ATOM 0 H LEU A 134 -1.888 -0.296 -12.031 1.00 0.00 H new ATOM 0 HA LEU A 134 0.666 1.126 -11.563 1.00 0.00 H new ATOM 0 HB2 LEU A 134 0.939 -0.302 -9.585 1.00 0.00 H new ATOM 0 HB3 LEU A 134 -0.305 0.923 -9.437 1.00 0.00 H new ATOM 0 HG LEU A 134 -1.960 -0.938 -10.003 1.00 0.00 H new ATOM 0 HD11 LEU A 134 -1.344 -3.214 -9.251 1.00 0.00 H new ATOM 0 HD12 LEU A 134 -0.440 -2.709 -10.699 1.00 0.00 H new ATOM 0 HD13 LEU A 134 0.351 -2.690 -9.104 1.00 0.00 H new ATOM 0 HD21 LEU A 134 -1.965 -1.664 -7.549 1.00 0.00 H new ATOM 0 HD22 LEU A 134 -0.311 -1.025 -7.391 1.00 0.00 H new ATOM 0 HD23 LEU A 134 -1.667 0.083 -7.713 1.00 0.00 H new ATOM 1831 N ARG A 135 2.048 -0.778 -12.255 1.00 0.00 N ATOM 1832 CA ARG A 135 2.978 -1.786 -12.754 1.00 0.00 C ATOM 1833 C ARG A 135 3.005 -2.966 -11.776 1.00 0.00 C ATOM 1834 O ARG A 135 2.418 -2.886 -10.695 1.00 0.00 O ATOM 1835 CB ARG A 135 4.342 -1.078 -12.893 1.00 0.00 C ATOM 1836 CG ARG A 135 4.406 -0.184 -14.134 1.00 0.00 C ATOM 1837 CD ARG A 135 5.298 1.034 -13.862 1.00 0.00 C ATOM 1838 NE ARG A 135 5.931 1.510 -15.102 1.00 0.00 N ATOM 1839 CZ ARG A 135 5.314 2.067 -16.150 1.00 0.00 C ATOM 1840 NH1 ARG A 135 4.101 2.581 -16.027 1.00 0.00 N ATOM 1841 NH2 ARG A 135 5.919 2.075 -17.327 1.00 0.00 N ATOM 0 H ARG A 135 2.535 0.043 -11.897 1.00 0.00 H new ATOM 0 HA ARG A 135 2.691 -2.199 -13.721 1.00 0.00 H new ATOM 0 HB2 ARG A 135 4.529 -0.476 -12.004 1.00 0.00 H new ATOM 0 HB3 ARG A 135 5.134 -1.825 -12.945 1.00 0.00 H new ATOM 0 HG2 ARG A 135 4.798 -0.750 -14.979 1.00 0.00 H new ATOM 0 HG3 ARG A 135 3.403 0.144 -14.407 1.00 0.00 H new ATOM 0 HD2 ARG A 135 4.703 1.834 -13.423 1.00 0.00 H new ATOM 0 HD3 ARG A 135 6.066 0.772 -13.135 1.00 0.00 H new ATOM 0 HE ARG A 135 6.943 1.405 -15.169 1.00 0.00 H new ATOM 0 HH11 ARG A 135 3.625 2.555 -15.125 1.00 0.00 H new ATOM 0 HH12 ARG A 135 3.642 3.003 -16.834 1.00 0.00 H new ATOM 0 HH21 ARG A 135 6.845 1.660 -17.427 1.00 0.00 H new ATOM 0 HH22 ARG A 135 5.459 2.497 -18.134 1.00 0.00 H new ATOM 1855 N THR A 136 3.777 -4.009 -12.073 1.00 0.00 N ATOM 1856 CA THR A 136 3.807 -5.235 -11.268 1.00 0.00 C ATOM 1857 C THR A 136 5.214 -5.799 -11.049 1.00 0.00 C ATOM 1858 O THR A 136 5.384 -6.821 -10.385 1.00 0.00 O ATOM 1859 CB THR A 136 2.868 -6.301 -11.882 1.00 0.00 C ATOM 1860 OG1 THR A 136 2.343 -5.932 -13.146 1.00 0.00 O ATOM 1861 CG2 THR A 136 1.689 -6.637 -10.973 1.00 0.00 C ATOM 0 H THR A 136 4.401 -4.031 -12.879 1.00 0.00 H new ATOM 0 HA THR A 136 3.447 -4.961 -10.276 1.00 0.00 H new ATOM 0 HB THR A 136 3.510 -7.174 -12.003 1.00 0.00 H new ATOM 0 HG1 THR A 136 1.761 -6.646 -13.480 1.00 0.00 H new ATOM 0 HG21 THR A 136 1.063 -7.390 -11.452 1.00 0.00 H new ATOM 0 HG22 THR A 136 2.060 -7.024 -10.024 1.00 0.00 H new ATOM 0 HG23 THR A 136 1.101 -5.737 -10.792 1.00 0.00 H new ATOM 1869 N GLU A 137 6.223 -5.149 -11.609 1.00 0.00 N ATOM 1870 CA GLU A 137 7.633 -5.495 -11.516 1.00 0.00 C ATOM 1871 C GLU A 137 8.445 -4.276 -11.908 1.00 0.00 C ATOM 1872 O GLU A 137 8.110 -3.629 -12.931 1.00 0.00 O ATOM 1873 CB GLU A 137 7.964 -6.726 -12.383 1.00 0.00 C ATOM 1874 CG GLU A 137 8.580 -7.836 -11.521 1.00 0.00 C ATOM 1875 CD GLU A 137 8.702 -9.190 -12.232 1.00 0.00 C ATOM 1876 OE1 GLU A 137 8.447 -9.307 -13.454 1.00 0.00 O ATOM 1877 OE2 GLU A 137 9.009 -10.195 -11.544 1.00 0.00 O ATOM 0 H GLU A 137 6.069 -4.315 -12.175 1.00 0.00 H new ATOM 0 HA GLU A 137 7.886 -5.776 -10.494 1.00 0.00 H new ATOM 0 HB2 GLU A 137 7.059 -7.092 -12.867 1.00 0.00 H new ATOM 0 HB3 GLU A 137 8.657 -6.445 -13.176 1.00 0.00 H new ATOM 0 HG2 GLU A 137 9.570 -7.519 -11.194 1.00 0.00 H new ATOM 0 HG3 GLU A 137 7.974 -7.963 -10.624 1.00 0.00 H new TER 1884 GLU A 137