USER MOD reduce.3.24.130724 H: found=0, std=0, add=841, rem=0, adj=25 USER MOD reduce.3.24.130724 removed 838 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 15 GLN : amide:sc= 0.0184 K(o=-0.092,f=-1.1) USER MOD Set 1.2: A 93 GLN : amide:sc= -0.11 K(o=-0.092,f=-1.1) USER MOD Set 2.1: A 92 GLN : amide:sc= -2.98 K(o=-4.5,f=-12!) USER MOD Set 2.2: A 97 GLN : amide:sc= -1.54 K(o=-4.5,f=-5.7!) USER MOD Set 3.1: A 32 THR OG1 : rot 120:sc= 0.348 USER MOD Set 3.2: A 34 HIS : no HD1:sc= -0.936 K(o=-0.59,f=-5.7!) USER MOD Set 4.1: A 5 SER OG : rot 180:sc= 0 USER MOD Set 4.2: A 38 GLN : amide:sc= -1.33 X(o=-1.3,f=-1.1) USER MOD Single : A 1 GLY N :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 2 SER OG : rot 18:sc= 0.00574 USER MOD Single : A 3 SER OG : rot 180:sc= 0 USER MOD Single : A 6 SER OG : rot 180:sc= 0 USER MOD Single : A 10 CYS SG : rot 180:sc= 0 USER MOD Single : A 12 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 14 ASN : amide:sc= -0.175 X(o=-0.17,f=0) USER MOD Single : A 22 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 25 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 26 SER OG : rot 54:sc= 0.799 USER MOD Single : A 35 SER OG : rot 180:sc=-0.00699 USER MOD Single : A 50 GLN : amide:sc= -0.0169 X(o=-0.017,f=0) USER MOD Single : A 56 THR OG1 : rot 180:sc= -0.164 USER MOD Single : A 57 THR OG1 : rot 42:sc= 1.19 USER MOD Single : A 58 THR OG1 : rot 159:sc= 0.268 USER MOD Single : A 62 TYR OH : rot 180:sc= -0.35 USER MOD Single : A 71 THR OG1 : rot 180:sc= -0.447 USER MOD Single : A 74 SER OG : rot 180:sc= -0.564 USER MOD Single : A 78 MET CE :methyl 148:sc= -5.47! (180deg=-9.92!) USER MOD Single : A 79 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 81 MET CE :methyl -113:sc= -0.911 (180deg=-4.11!) USER MOD Single : A 83 SER OG : rot 82:sc= 0.363 USER MOD Single : A 84 TYR OH : rot 150:sc= 1.01 USER MOD Single : A 85 TYR OH : rot -41:sc= 0.92 USER MOD Single : A 86 TYR OH : rot -15:sc= -5.44! USER MOD Single : A 87 SER OG : rot 180:sc= 0 USER MOD Single : A 88 THR OG1 : rot 180:sc= 0 USER MOD Single : A 90 MET CE :methyl 180:sc= 0 (180deg=0) USER MOD Single : A 95 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 103 GLN : amide:sc= -0.659 X(o=-0.66,f=-1.1) USER MOD Single : A 108 SER OG : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 112 SER OG : rot 180:sc= -0.0307 USER MOD ----------------------------------------------------------------- ATOM 1 N GLY A 1 -7.667 11.432 21.675 1.00 0.00 N ATOM 2 CA GLY A 1 -6.742 11.606 20.568 1.00 0.00 C ATOM 3 C GLY A 1 -6.512 10.283 19.834 1.00 0.00 C ATOM 4 O GLY A 1 -5.432 9.700 19.923 1.00 0.00 O ATOM 0 H1 GLY A 1 -7.807 12.343 22.157 1.00 0.00 H new ATOM 0 H2 GLY A 1 -8.580 11.088 21.314 1.00 0.00 H new ATOM 0 H3 GLY A 1 -7.278 10.741 22.347 1.00 0.00 H new ATOM 0 HA2 GLY A 1 -7.136 12.348 19.873 1.00 0.00 H new ATOM 0 HA3 GLY A 1 -5.792 11.990 20.940 1.00 0.00 H new ATOM 8 N SER A 2 -7.543 9.849 19.125 1.00 0.00 N ATOM 9 CA SER A 2 -7.467 8.606 18.376 1.00 0.00 C ATOM 10 C SER A 2 -8.191 8.757 17.037 1.00 0.00 C ATOM 11 O SER A 2 -7.594 8.564 15.979 1.00 0.00 O ATOM 12 CB SER A 2 -8.063 7.445 19.174 1.00 0.00 C ATOM 13 OG SER A 2 -7.155 6.948 20.154 1.00 0.00 O ATOM 0 H SER A 2 -8.436 10.336 19.053 1.00 0.00 H new ATOM 0 HA SER A 2 -6.417 8.382 18.190 1.00 0.00 H new ATOM 0 HB2 SER A 2 -8.980 7.774 19.663 1.00 0.00 H new ATOM 0 HB3 SER A 2 -8.337 6.640 18.492 1.00 0.00 H new ATOM 0 HG SER A 2 -6.453 7.612 20.316 1.00 0.00 H new ATOM 19 N SER A 3 -9.468 9.101 17.126 1.00 0.00 N ATOM 20 CA SER A 3 -10.280 9.280 15.935 1.00 0.00 C ATOM 21 C SER A 3 -9.548 10.175 14.933 1.00 0.00 C ATOM 22 O SER A 3 -9.287 9.764 13.803 1.00 0.00 O ATOM 23 CB SER A 3 -11.645 9.877 16.283 1.00 0.00 C ATOM 24 OG SER A 3 -12.714 9.145 15.692 1.00 0.00 O ATOM 0 H SER A 3 -9.960 9.260 18.005 1.00 0.00 H new ATOM 0 HA SER A 3 -10.447 8.302 15.484 1.00 0.00 H new ATOM 0 HB2 SER A 3 -11.770 9.890 17.366 1.00 0.00 H new ATOM 0 HB3 SER A 3 -11.684 10.913 15.945 1.00 0.00 H new ATOM 0 HG SER A 3 -13.568 9.557 15.939 1.00 0.00 H new ATOM 30 N GLY A 4 -9.239 11.382 15.382 1.00 0.00 N ATOM 31 CA GLY A 4 -8.543 12.339 14.539 1.00 0.00 C ATOM 32 C GLY A 4 -7.352 11.686 13.836 1.00 0.00 C ATOM 33 O GLY A 4 -6.468 11.132 14.489 1.00 0.00 O ATOM 0 H GLY A 4 -9.458 11.720 16.319 1.00 0.00 H new ATOM 0 HA2 GLY A 4 -9.231 12.743 13.797 1.00 0.00 H new ATOM 0 HA3 GLY A 4 -8.198 13.178 15.143 1.00 0.00 H new ATOM 37 N SER A 5 -7.366 11.772 12.514 1.00 0.00 N ATOM 38 CA SER A 5 -6.298 11.196 11.715 1.00 0.00 C ATOM 39 C SER A 5 -5.989 12.102 10.522 1.00 0.00 C ATOM 40 O SER A 5 -4.856 12.551 10.355 1.00 0.00 O ATOM 41 CB SER A 5 -6.666 9.791 11.233 1.00 0.00 C ATOM 42 OG SER A 5 -5.599 9.175 10.517 1.00 0.00 O ATOM 0 H SER A 5 -8.100 12.232 11.976 1.00 0.00 H new ATOM 0 HA SER A 5 -5.409 11.115 12.341 1.00 0.00 H new ATOM 0 HB2 SER A 5 -6.932 9.172 12.090 1.00 0.00 H new ATOM 0 HB3 SER A 5 -7.547 9.846 10.594 1.00 0.00 H new ATOM 0 HG SER A 5 -5.873 8.280 10.228 1.00 0.00 H new ATOM 48 N SER A 6 -7.017 12.345 9.723 1.00 0.00 N ATOM 49 CA SER A 6 -6.870 13.190 8.550 1.00 0.00 C ATOM 50 C SER A 6 -6.614 14.637 8.976 1.00 0.00 C ATOM 51 O SER A 6 -7.129 15.087 9.999 1.00 0.00 O ATOM 52 CB SER A 6 -8.109 13.112 7.656 1.00 0.00 C ATOM 53 OG SER A 6 -9.297 13.472 8.356 1.00 0.00 O ATOM 0 H SER A 6 -7.956 11.972 9.865 1.00 0.00 H new ATOM 0 HA SER A 6 -6.017 12.831 7.975 1.00 0.00 H new ATOM 0 HB2 SER A 6 -7.979 13.772 6.799 1.00 0.00 H new ATOM 0 HB3 SER A 6 -8.211 12.099 7.266 1.00 0.00 H new ATOM 0 HG SER A 6 -10.065 13.411 7.750 1.00 0.00 H new ATOM 59 N GLY A 7 -5.818 15.326 8.171 1.00 0.00 N ATOM 60 CA GLY A 7 -5.488 16.713 8.452 1.00 0.00 C ATOM 61 C GLY A 7 -4.495 17.259 7.424 1.00 0.00 C ATOM 62 O GLY A 7 -3.688 16.509 6.876 1.00 0.00 O ATOM 0 H GLY A 7 -5.392 14.949 7.324 1.00 0.00 H new ATOM 0 HA2 GLY A 7 -6.396 17.316 8.442 1.00 0.00 H new ATOM 0 HA3 GLY A 7 -5.063 16.794 9.452 1.00 0.00 H new ATOM 66 N PRO A 8 -4.589 18.595 7.188 1.00 0.00 N ATOM 67 CA PRO A 8 -3.709 19.250 6.235 1.00 0.00 C ATOM 68 C PRO A 8 -2.302 19.416 6.813 1.00 0.00 C ATOM 69 O PRO A 8 -2.141 19.882 7.940 1.00 0.00 O ATOM 70 CB PRO A 8 -4.384 20.576 5.924 1.00 0.00 C ATOM 71 CG PRO A 8 -5.370 20.818 7.056 1.00 0.00 C ATOM 72 CD PRO A 8 -5.532 19.513 7.819 1.00 0.00 C ATOM 0 HA PRO A 8 -3.566 18.668 5.325 1.00 0.00 H new ATOM 0 HB2 PRO A 8 -3.653 21.382 5.864 1.00 0.00 H new ATOM 0 HB3 PRO A 8 -4.895 20.538 4.962 1.00 0.00 H new ATOM 0 HG2 PRO A 8 -5.007 21.604 7.717 1.00 0.00 H new ATOM 0 HG3 PRO A 8 -6.330 21.151 6.662 1.00 0.00 H new ATOM 0 HD2 PRO A 8 -5.309 19.643 8.878 1.00 0.00 H new ATOM 0 HD3 PRO A 8 -6.554 19.139 7.752 1.00 0.00 H new ATOM 80 N PHE A 9 -1.319 19.027 6.014 1.00 0.00 N ATOM 81 CA PHE A 9 0.069 19.127 6.432 1.00 0.00 C ATOM 82 C PHE A 9 1.015 18.848 5.262 1.00 0.00 C ATOM 83 O PHE A 9 0.712 18.030 4.395 1.00 0.00 O ATOM 84 CB PHE A 9 0.288 18.067 7.513 1.00 0.00 C ATOM 85 CG PHE A 9 0.979 18.595 8.772 1.00 0.00 C ATOM 86 CD1 PHE A 9 0.630 19.806 9.282 1.00 0.00 C ATOM 87 CD2 PHE A 9 1.942 17.853 9.381 1.00 0.00 C ATOM 88 CE1 PHE A 9 1.271 20.297 10.450 1.00 0.00 C ATOM 89 CE2 PHE A 9 2.584 18.343 10.549 1.00 0.00 C ATOM 90 CZ PHE A 9 2.234 19.555 11.059 1.00 0.00 C ATOM 0 H PHE A 9 -1.456 18.642 5.079 1.00 0.00 H new ATOM 0 HA PHE A 9 0.275 20.132 6.800 1.00 0.00 H new ATOM 0 HB2 PHE A 9 -0.676 17.642 7.791 1.00 0.00 H new ATOM 0 HB3 PHE A 9 0.885 17.256 7.096 1.00 0.00 H new ATOM 0 HD1 PHE A 9 -0.135 20.395 8.798 1.00 0.00 H new ATOM 0 HD2 PHE A 9 2.219 16.891 8.976 1.00 0.00 H new ATOM 0 HE1 PHE A 9 0.994 21.259 10.854 1.00 0.00 H new ATOM 0 HE2 PHE A 9 3.350 17.754 11.032 1.00 0.00 H new ATOM 0 HZ PHE A 9 2.721 19.928 11.948 1.00 0.00 H new ATOM 100 N CYS A 10 2.142 19.544 5.276 1.00 0.00 N ATOM 101 CA CYS A 10 3.134 19.382 4.227 1.00 0.00 C ATOM 102 C CYS A 10 2.604 20.049 2.957 1.00 0.00 C ATOM 103 O CYS A 10 3.151 21.054 2.504 1.00 0.00 O ATOM 104 CB CYS A 10 3.479 17.909 3.997 1.00 0.00 C ATOM 105 SG CYS A 10 5.206 17.584 4.508 1.00 0.00 S ATOM 0 H CYS A 10 2.390 20.221 5.997 1.00 0.00 H new ATOM 0 HA CYS A 10 4.065 19.863 4.527 1.00 0.00 H new ATOM 0 HB2 CYS A 10 2.798 17.275 4.564 1.00 0.00 H new ATOM 0 HB3 CYS A 10 3.349 17.656 2.945 1.00 0.00 H new ATOM 0 HG CYS A 10 5.488 16.330 4.311 1.00 0.00 H new ATOM 111 N ALA A 11 1.545 19.464 2.417 1.00 0.00 N ATOM 112 CA ALA A 11 0.934 19.989 1.208 1.00 0.00 C ATOM 113 C ALA A 11 1.923 19.866 0.047 1.00 0.00 C ATOM 114 O ALA A 11 3.014 20.434 0.093 1.00 0.00 O ATOM 115 CB ALA A 11 0.491 21.434 1.445 1.00 0.00 C ATOM 0 H ALA A 11 1.094 18.631 2.795 1.00 0.00 H new ATOM 0 HA ALA A 11 0.045 19.414 0.947 1.00 0.00 H new ATOM 0 HB1 ALA A 11 0.033 21.828 0.538 1.00 0.00 H new ATOM 0 HB2 ALA A 11 -0.233 21.464 2.259 1.00 0.00 H new ATOM 0 HB3 ALA A 11 1.357 22.042 1.707 1.00 0.00 H new ATOM 121 N MET A 12 1.508 19.121 -0.966 1.00 0.00 N ATOM 122 CA MET A 12 2.344 18.916 -2.137 1.00 0.00 C ATOM 123 C MET A 12 1.518 18.402 -3.318 1.00 0.00 C ATOM 124 O MET A 12 0.376 17.979 -3.144 1.00 0.00 O ATOM 125 CB MET A 12 3.446 17.907 -1.807 1.00 0.00 C ATOM 126 CG MET A 12 4.778 18.614 -1.551 1.00 0.00 C ATOM 127 SD MET A 12 6.111 17.427 -1.554 1.00 0.00 S ATOM 128 CE MET A 12 6.718 17.648 -3.218 1.00 0.00 C ATOM 0 H MET A 12 0.603 18.651 -1.001 1.00 0.00 H new ATOM 0 HA MET A 12 2.786 19.872 -2.416 1.00 0.00 H new ATOM 0 HB2 MET A 12 3.163 17.328 -0.928 1.00 0.00 H new ATOM 0 HB3 MET A 12 3.557 17.202 -2.631 1.00 0.00 H new ATOM 0 HG2 MET A 12 4.951 19.369 -2.318 1.00 0.00 H new ATOM 0 HG3 MET A 12 4.745 19.133 -0.593 1.00 0.00 H new ATOM 0 HE1 MET A 12 7.559 16.977 -3.390 1.00 0.00 H new ATOM 0 HE2 MET A 12 5.923 17.423 -3.928 1.00 0.00 H new ATOM 0 HE3 MET A 12 7.043 18.680 -3.353 1.00 0.00 H new ATOM 138 N GLU A 13 2.127 18.457 -4.493 1.00 0.00 N ATOM 139 CA GLU A 13 1.462 18.002 -5.702 1.00 0.00 C ATOM 140 C GLU A 13 2.495 17.615 -6.763 1.00 0.00 C ATOM 141 O GLU A 13 3.170 18.479 -7.321 1.00 0.00 O ATOM 142 CB GLU A 13 0.503 19.069 -6.235 1.00 0.00 C ATOM 143 CG GLU A 13 1.270 20.294 -6.737 1.00 0.00 C ATOM 144 CD GLU A 13 0.540 21.587 -6.367 1.00 0.00 C ATOM 145 OE1 GLU A 13 0.278 21.765 -5.158 1.00 0.00 O ATOM 146 OE2 GLU A 13 0.260 22.368 -7.302 1.00 0.00 O ATOM 0 H GLU A 13 3.074 18.810 -4.634 1.00 0.00 H new ATOM 0 HA GLU A 13 0.872 17.119 -5.458 1.00 0.00 H new ATOM 0 HB2 GLU A 13 -0.095 18.653 -7.045 1.00 0.00 H new ATOM 0 HB3 GLU A 13 -0.190 19.367 -5.448 1.00 0.00 H new ATOM 0 HG2 GLU A 13 2.272 20.302 -6.307 1.00 0.00 H new ATOM 0 HG3 GLU A 13 1.388 20.236 -7.819 1.00 0.00 H new ATOM 153 N ASN A 14 2.586 16.316 -7.008 1.00 0.00 N ATOM 154 CA ASN A 14 3.525 15.805 -7.991 1.00 0.00 C ATOM 155 C ASN A 14 3.301 14.302 -8.171 1.00 0.00 C ATOM 156 O ASN A 14 3.015 13.841 -9.275 1.00 0.00 O ATOM 157 CB ASN A 14 4.970 16.015 -7.535 1.00 0.00 C ATOM 158 CG ASN A 14 5.957 15.598 -8.627 1.00 0.00 C ATOM 159 OD1 ASN A 14 6.148 16.281 -9.620 1.00 0.00 O ATOM 160 ND2 ASN A 14 6.570 14.442 -8.390 1.00 0.00 N ATOM 0 H ASN A 14 2.025 15.603 -6.543 1.00 0.00 H new ATOM 0 HA ASN A 14 3.360 16.342 -8.925 1.00 0.00 H new ATOM 0 HB2 ASN A 14 5.126 17.063 -7.280 1.00 0.00 H new ATOM 0 HB3 ASN A 14 5.157 15.436 -6.631 1.00 0.00 H new ATOM 0 HD21 ASN A 14 7.247 14.077 -9.060 1.00 0.00 H new ATOM 0 HD22 ASN A 14 6.363 13.920 -7.538 1.00 0.00 H new ATOM 167 N GLN A 15 3.438 13.579 -7.069 1.00 0.00 N ATOM 168 CA GLN A 15 3.254 12.138 -7.091 1.00 0.00 C ATOM 169 C GLN A 15 2.500 11.680 -5.841 1.00 0.00 C ATOM 170 O GLN A 15 2.258 12.474 -4.933 1.00 0.00 O ATOM 171 CB GLN A 15 4.596 11.416 -7.217 1.00 0.00 C ATOM 172 CG GLN A 15 5.508 11.740 -6.032 1.00 0.00 C ATOM 173 CD GLN A 15 5.922 10.466 -5.294 1.00 0.00 C ATOM 174 OE1 GLN A 15 6.482 9.543 -5.863 1.00 0.00 O ATOM 175 NE2 GLN A 15 5.618 10.467 -3.999 1.00 0.00 N ATOM 0 H GLN A 15 3.674 13.965 -6.155 1.00 0.00 H new ATOM 0 HA GLN A 15 2.657 11.881 -7.966 1.00 0.00 H new ATOM 0 HB2 GLN A 15 4.430 10.340 -7.269 1.00 0.00 H new ATOM 0 HB3 GLN A 15 5.084 11.709 -8.147 1.00 0.00 H new ATOM 0 HG2 GLN A 15 6.396 12.265 -6.385 1.00 0.00 H new ATOM 0 HG3 GLN A 15 4.993 12.411 -5.345 1.00 0.00 H new ATOM 0 HE21 GLN A 15 5.149 11.273 -3.586 1.00 0.00 H new ATOM 0 HE22 GLN A 15 5.854 9.662 -3.419 1.00 0.00 H new ATOM 184 N VAL A 16 2.151 10.402 -5.835 1.00 0.00 N ATOM 185 CA VAL A 16 1.429 9.829 -4.711 1.00 0.00 C ATOM 186 C VAL A 16 1.701 8.325 -4.650 1.00 0.00 C ATOM 187 O VAL A 16 2.513 7.806 -5.414 1.00 0.00 O ATOM 188 CB VAL A 16 -0.060 10.164 -4.819 1.00 0.00 C ATOM 189 CG1 VAL A 16 -0.307 11.653 -4.569 1.00 0.00 C ATOM 190 CG2 VAL A 16 -0.621 9.735 -6.177 1.00 0.00 C ATOM 0 H VAL A 16 2.354 9.747 -6.590 1.00 0.00 H new ATOM 0 HA VAL A 16 1.778 10.261 -3.773 1.00 0.00 H new ATOM 0 HB VAL A 16 -0.586 9.603 -4.047 1.00 0.00 H new ATOM 0 HG11 VAL A 16 -1.373 11.864 -4.652 1.00 0.00 H new ATOM 0 HG12 VAL A 16 0.038 11.916 -3.569 1.00 0.00 H new ATOM 0 HG13 VAL A 16 0.238 12.241 -5.308 1.00 0.00 H new ATOM 0 HG21 VAL A 16 -1.681 9.984 -6.228 1.00 0.00 H new ATOM 0 HG22 VAL A 16 -0.087 10.255 -6.972 1.00 0.00 H new ATOM 0 HG23 VAL A 16 -0.495 8.659 -6.299 1.00 0.00 H new ATOM 200 N LEU A 17 1.006 7.667 -3.733 1.00 0.00 N ATOM 201 CA LEU A 17 1.162 6.233 -3.562 1.00 0.00 C ATOM 202 C LEU A 17 -0.006 5.513 -4.239 1.00 0.00 C ATOM 203 O LEU A 17 -1.165 5.861 -4.020 1.00 0.00 O ATOM 204 CB LEU A 17 1.325 5.884 -2.081 1.00 0.00 C ATOM 205 CG LEU A 17 1.140 4.410 -1.715 1.00 0.00 C ATOM 206 CD1 LEU A 17 2.368 3.588 -2.112 1.00 0.00 C ATOM 207 CD2 LEU A 17 0.801 4.252 -0.231 1.00 0.00 C ATOM 0 H LEU A 17 0.334 8.101 -3.101 1.00 0.00 H new ATOM 0 HA LEU A 17 2.074 5.888 -4.049 1.00 0.00 H new ATOM 0 HB2 LEU A 17 2.320 6.195 -1.762 1.00 0.00 H new ATOM 0 HB3 LEU A 17 0.608 6.473 -1.508 1.00 0.00 H new ATOM 0 HG LEU A 17 0.294 4.021 -2.282 1.00 0.00 H new ATOM 0 HD11 LEU A 17 2.210 2.544 -1.841 1.00 0.00 H new ATOM 0 HD12 LEU A 17 2.524 3.664 -3.188 1.00 0.00 H new ATOM 0 HD13 LEU A 17 3.246 3.970 -1.590 1.00 0.00 H new ATOM 0 HD21 LEU A 17 0.675 3.195 0.003 1.00 0.00 H new ATOM 0 HD22 LEU A 17 1.610 4.663 0.373 1.00 0.00 H new ATOM 0 HD23 LEU A 17 -0.124 4.785 -0.010 1.00 0.00 H new ATOM 219 N VAL A 18 0.340 4.522 -5.047 1.00 0.00 N ATOM 220 CA VAL A 18 -0.666 3.750 -5.757 1.00 0.00 C ATOM 221 C VAL A 18 -0.506 2.269 -5.407 1.00 0.00 C ATOM 222 O VAL A 18 0.485 1.642 -5.779 1.00 0.00 O ATOM 223 CB VAL A 18 -0.571 4.023 -7.259 1.00 0.00 C ATOM 224 CG1 VAL A 18 -1.511 3.105 -8.044 1.00 0.00 C ATOM 225 CG2 VAL A 18 -0.856 5.494 -7.568 1.00 0.00 C ATOM 0 H VAL A 18 1.303 4.236 -5.226 1.00 0.00 H new ATOM 0 HA VAL A 18 -1.667 4.051 -5.448 1.00 0.00 H new ATOM 0 HB VAL A 18 0.449 3.806 -7.575 1.00 0.00 H new ATOM 0 HG11 VAL A 18 -1.424 3.320 -9.109 1.00 0.00 H new ATOM 0 HG12 VAL A 18 -1.241 2.065 -7.860 1.00 0.00 H new ATOM 0 HG13 VAL A 18 -2.538 3.275 -7.722 1.00 0.00 H new ATOM 0 HG21 VAL A 18 -0.782 5.661 -8.643 1.00 0.00 H new ATOM 0 HG22 VAL A 18 -1.860 5.749 -7.230 1.00 0.00 H new ATOM 0 HG23 VAL A 18 -0.129 6.122 -7.052 1.00 0.00 H new ATOM 235 N ILE A 19 -1.497 1.751 -4.696 1.00 0.00 N ATOM 236 CA ILE A 19 -1.480 0.356 -4.292 1.00 0.00 C ATOM 237 C ILE A 19 -2.245 -0.478 -5.321 1.00 0.00 C ATOM 238 O ILE A 19 -3.463 -0.359 -5.440 1.00 0.00 O ATOM 239 CB ILE A 19 -2.007 0.205 -2.863 1.00 0.00 C ATOM 240 CG1 ILE A 19 -1.096 0.921 -1.864 1.00 0.00 C ATOM 241 CG2 ILE A 19 -2.204 -1.269 -2.505 1.00 0.00 C ATOM 242 CD1 ILE A 19 -1.796 1.103 -0.516 1.00 0.00 C ATOM 0 H ILE A 19 -2.318 2.273 -4.389 1.00 0.00 H new ATOM 0 HA ILE A 19 -0.458 -0.022 -4.271 1.00 0.00 H new ATOM 0 HB ILE A 19 -2.985 0.684 -2.807 1.00 0.00 H new ATOM 0 HG12 ILE A 19 -0.179 0.348 -1.727 1.00 0.00 H new ATOM 0 HG13 ILE A 19 -0.807 1.894 -2.262 1.00 0.00 H new ATOM 0 HG21 ILE A 19 -2.579 -1.349 -1.485 1.00 0.00 H new ATOM 0 HG22 ILE A 19 -2.922 -1.717 -3.192 1.00 0.00 H new ATOM 0 HG23 ILE A 19 -1.251 -1.793 -2.583 1.00 0.00 H new ATOM 0 HD11 ILE A 19 -1.126 1.614 0.176 1.00 0.00 H new ATOM 0 HD12 ILE A 19 -2.700 1.697 -0.653 1.00 0.00 H new ATOM 0 HD13 ILE A 19 -2.061 0.127 -0.109 1.00 0.00 H new ATOM 254 N ARG A 20 -1.498 -1.305 -6.039 1.00 0.00 N ATOM 255 CA ARG A 20 -2.091 -2.159 -7.054 1.00 0.00 C ATOM 256 C ARG A 20 -2.501 -3.501 -6.445 1.00 0.00 C ATOM 257 O ARG A 20 -1.657 -4.364 -6.210 1.00 0.00 O ATOM 258 CB ARG A 20 -1.114 -2.406 -8.205 1.00 0.00 C ATOM 259 CG ARG A 20 -1.541 -3.617 -9.036 1.00 0.00 C ATOM 260 CD ARG A 20 -0.587 -3.840 -10.211 1.00 0.00 C ATOM 261 NE ARG A 20 -0.945 -5.086 -10.925 1.00 0.00 N ATOM 262 CZ ARG A 20 -0.103 -5.769 -11.712 1.00 0.00 C ATOM 263 NH1 ARG A 20 1.151 -5.332 -11.891 1.00 0.00 N ATOM 264 NH2 ARG A 20 -0.515 -6.890 -12.320 1.00 0.00 N ATOM 0 H ARG A 20 -0.488 -1.401 -5.938 1.00 0.00 H new ATOM 0 HA ARG A 20 -2.972 -1.649 -7.443 1.00 0.00 H new ATOM 0 HB2 ARG A 20 -1.066 -1.522 -8.842 1.00 0.00 H new ATOM 0 HB3 ARG A 20 -0.112 -2.568 -7.808 1.00 0.00 H new ATOM 0 HG2 ARG A 20 -1.561 -4.506 -8.406 1.00 0.00 H new ATOM 0 HG3 ARG A 20 -2.554 -3.468 -9.409 1.00 0.00 H new ATOM 0 HD2 ARG A 20 -0.635 -2.993 -10.895 1.00 0.00 H new ATOM 0 HD3 ARG A 20 0.440 -3.900 -9.850 1.00 0.00 H new ATOM 0 HE ARG A 20 -1.892 -5.447 -10.811 1.00 0.00 H new ATOM 0 HH11 ARG A 20 1.465 -4.479 -11.428 1.00 0.00 H new ATOM 0 HH12 ARG A 20 1.792 -5.852 -12.490 1.00 0.00 H new ATOM 0 HH21 ARG A 20 -1.469 -7.223 -12.184 1.00 0.00 H new ATOM 0 HH22 ARG A 20 0.126 -7.410 -12.919 1.00 0.00 H new ATOM 278 N ILE A 21 -3.798 -3.635 -6.206 1.00 0.00 N ATOM 279 CA ILE A 21 -4.330 -4.857 -5.629 1.00 0.00 C ATOM 280 C ILE A 21 -4.491 -5.908 -6.730 1.00 0.00 C ATOM 281 O ILE A 21 -5.222 -5.693 -7.696 1.00 0.00 O ATOM 282 CB ILE A 21 -5.621 -4.569 -4.860 1.00 0.00 C ATOM 283 CG1 ILE A 21 -5.326 -3.846 -3.545 1.00 0.00 C ATOM 284 CG2 ILE A 21 -6.427 -5.851 -4.641 1.00 0.00 C ATOM 285 CD1 ILE A 21 -5.872 -2.417 -3.570 1.00 0.00 C ATOM 0 H ILE A 21 -4.495 -2.917 -6.402 1.00 0.00 H new ATOM 0 HA ILE A 21 -3.635 -5.266 -4.896 1.00 0.00 H new ATOM 0 HB ILE A 21 -6.236 -3.902 -5.464 1.00 0.00 H new ATOM 0 HG12 ILE A 21 -5.772 -4.395 -2.716 1.00 0.00 H new ATOM 0 HG13 ILE A 21 -4.250 -3.825 -3.371 1.00 0.00 H new ATOM 0 HG21 ILE A 21 -7.339 -5.618 -4.092 1.00 0.00 H new ATOM 0 HG22 ILE A 21 -6.685 -6.288 -5.606 1.00 0.00 H new ATOM 0 HG23 ILE A 21 -5.831 -6.562 -4.069 1.00 0.00 H new ATOM 0 HD11 ILE A 21 -5.649 -1.926 -2.623 1.00 0.00 H new ATOM 0 HD12 ILE A 21 -5.406 -1.863 -4.385 1.00 0.00 H new ATOM 0 HD13 ILE A 21 -6.951 -2.442 -3.720 1.00 0.00 H new ATOM 297 N LYS A 22 -3.797 -7.021 -6.548 1.00 0.00 N ATOM 298 CA LYS A 22 -3.854 -8.106 -7.513 1.00 0.00 C ATOM 299 C LYS A 22 -5.239 -8.754 -7.464 1.00 0.00 C ATOM 300 O LYS A 22 -5.533 -9.530 -6.556 1.00 0.00 O ATOM 301 CB LYS A 22 -2.706 -9.090 -7.282 1.00 0.00 C ATOM 302 CG LYS A 22 -2.923 -10.382 -8.073 1.00 0.00 C ATOM 303 CD LYS A 22 -2.869 -10.119 -9.579 1.00 0.00 C ATOM 304 CE LYS A 22 -2.797 -11.431 -10.362 1.00 0.00 C ATOM 305 NZ LYS A 22 -1.423 -11.660 -10.864 1.00 0.00 N ATOM 0 H LYS A 22 -3.192 -7.195 -5.746 1.00 0.00 H new ATOM 0 HA LYS A 22 -3.716 -7.724 -8.524 1.00 0.00 H new ATOM 0 HB2 LYS A 22 -1.763 -8.631 -7.580 1.00 0.00 H new ATOM 0 HB3 LYS A 22 -2.627 -9.319 -6.219 1.00 0.00 H new ATOM 0 HG2 LYS A 22 -2.161 -11.112 -7.800 1.00 0.00 H new ATOM 0 HG3 LYS A 22 -3.888 -10.816 -7.810 1.00 0.00 H new ATOM 0 HD2 LYS A 22 -3.751 -9.556 -9.885 1.00 0.00 H new ATOM 0 HD3 LYS A 22 -2.001 -9.503 -9.813 1.00 0.00 H new ATOM 0 HE2 LYS A 22 -3.100 -12.260 -9.723 1.00 0.00 H new ATOM 0 HE3 LYS A 22 -3.496 -11.401 -11.198 1.00 0.00 H new ATOM 0 HZ1 LYS A 22 -1.391 -12.555 -11.393 1.00 0.00 H new ATOM 0 HZ2 LYS A 22 -1.147 -10.877 -11.491 1.00 0.00 H new ATOM 0 HZ3 LYS A 22 -0.764 -11.709 -10.061 1.00 0.00 H new ATOM 319 N ILE A 23 -6.053 -8.412 -8.452 1.00 0.00 N ATOM 320 CA ILE A 23 -7.400 -8.951 -8.532 1.00 0.00 C ATOM 321 C ILE A 23 -7.342 -10.374 -9.093 1.00 0.00 C ATOM 322 O ILE A 23 -6.558 -10.657 -9.997 1.00 0.00 O ATOM 323 CB ILE A 23 -8.306 -8.012 -9.330 1.00 0.00 C ATOM 324 CG1 ILE A 23 -8.156 -6.567 -8.851 1.00 0.00 C ATOM 325 CG2 ILE A 23 -9.761 -8.483 -9.283 1.00 0.00 C ATOM 326 CD1 ILE A 23 -9.268 -6.197 -7.867 1.00 0.00 C ATOM 0 H ILE A 23 -5.806 -7.768 -9.204 1.00 0.00 H new ATOM 0 HA ILE A 23 -7.844 -9.017 -7.539 1.00 0.00 H new ATOM 0 HB ILE A 23 -7.992 -8.040 -10.373 1.00 0.00 H new ATOM 0 HG12 ILE A 23 -7.185 -6.437 -8.373 1.00 0.00 H new ATOM 0 HG13 ILE A 23 -8.183 -5.892 -9.706 1.00 0.00 H new ATOM 0 HG21 ILE A 23 -10.384 -7.798 -9.858 1.00 0.00 H new ATOM 0 HG22 ILE A 23 -9.833 -9.484 -9.709 1.00 0.00 H new ATOM 0 HG23 ILE A 23 -10.104 -8.503 -8.248 1.00 0.00 H new ATOM 0 HD11 ILE A 23 -9.138 -5.165 -7.542 1.00 0.00 H new ATOM 0 HD12 ILE A 23 -10.237 -6.304 -8.355 1.00 0.00 H new ATOM 0 HD13 ILE A 23 -9.223 -6.858 -7.002 1.00 0.00 H new ATOM 338 N PRO A 24 -8.205 -11.254 -8.518 1.00 0.00 N ATOM 339 CA PRO A 24 -8.260 -12.640 -8.950 1.00 0.00 C ATOM 340 C PRO A 24 -8.975 -12.766 -10.297 1.00 0.00 C ATOM 341 O PRO A 24 -10.179 -12.534 -10.389 1.00 0.00 O ATOM 342 CB PRO A 24 -8.975 -13.374 -7.828 1.00 0.00 C ATOM 343 CG PRO A 24 -9.702 -12.306 -7.027 1.00 0.00 C ATOM 344 CD PRO A 24 -9.149 -10.953 -7.444 1.00 0.00 C ATOM 0 HA PRO A 24 -7.272 -13.067 -9.121 1.00 0.00 H new ATOM 0 HB2 PRO A 24 -9.676 -14.108 -8.226 1.00 0.00 H new ATOM 0 HB3 PRO A 24 -8.266 -13.916 -7.202 1.00 0.00 H new ATOM 0 HG2 PRO A 24 -10.775 -12.354 -7.213 1.00 0.00 H new ATOM 0 HG3 PRO A 24 -9.556 -12.465 -5.959 1.00 0.00 H new ATOM 0 HD2 PRO A 24 -9.943 -10.290 -7.788 1.00 0.00 H new ATOM 0 HD3 PRO A 24 -8.655 -10.453 -6.611 1.00 0.00 H new ATOM 352 N ASN A 25 -8.202 -13.133 -11.309 1.00 0.00 N ATOM 353 CA ASN A 25 -8.746 -13.293 -12.647 1.00 0.00 C ATOM 354 C ASN A 25 -9.582 -12.063 -13.003 1.00 0.00 C ATOM 355 O ASN A 25 -10.762 -12.183 -13.329 1.00 0.00 O ATOM 356 CB ASN A 25 -9.654 -14.522 -12.729 1.00 0.00 C ATOM 357 CG ASN A 25 -8.847 -15.778 -13.066 1.00 0.00 C ATOM 358 OD1 ASN A 25 -7.913 -16.151 -12.376 1.00 0.00 O ATOM 359 ND2 ASN A 25 -9.260 -16.408 -14.162 1.00 0.00 N ATOM 0 H ASN A 25 -7.203 -13.324 -11.229 1.00 0.00 H new ATOM 0 HA ASN A 25 -7.912 -13.414 -13.338 1.00 0.00 H new ATOM 0 HB2 ASN A 25 -10.170 -14.661 -11.779 1.00 0.00 H new ATOM 0 HB3 ASN A 25 -10.420 -14.363 -13.488 1.00 0.00 H new ATOM 0 HD21 ASN A 25 -8.787 -17.258 -14.470 1.00 0.00 H new ATOM 0 HD22 ASN A 25 -10.049 -16.042 -14.694 1.00 0.00 H new ATOM 366 N SER A 26 -8.938 -10.907 -12.928 1.00 0.00 N ATOM 367 CA SER A 26 -9.608 -9.656 -13.239 1.00 0.00 C ATOM 368 C SER A 26 -8.613 -8.496 -13.159 1.00 0.00 C ATOM 369 O SER A 26 -8.926 -7.441 -12.609 1.00 0.00 O ATOM 370 CB SER A 26 -10.785 -9.411 -12.292 1.00 0.00 C ATOM 371 OG SER A 26 -12.028 -9.787 -12.878 1.00 0.00 O ATOM 0 H SER A 26 -7.960 -10.811 -12.656 1.00 0.00 H new ATOM 0 HA SER A 26 -10.000 -9.721 -14.254 1.00 0.00 H new ATOM 0 HB2 SER A 26 -10.633 -9.974 -11.371 1.00 0.00 H new ATOM 0 HB3 SER A 26 -10.817 -8.356 -12.019 1.00 0.00 H new ATOM 0 HG SER A 26 -11.975 -10.714 -13.192 1.00 0.00 H new ATOM 377 N GLY A 27 -7.434 -8.730 -13.716 1.00 0.00 N ATOM 378 CA GLY A 27 -6.391 -7.718 -13.715 1.00 0.00 C ATOM 379 C GLY A 27 -6.058 -7.276 -12.288 1.00 0.00 C ATOM 380 O GLY A 27 -5.857 -8.110 -11.407 1.00 0.00 O ATOM 0 H GLY A 27 -7.178 -9.606 -14.171 1.00 0.00 H new ATOM 0 HA2 GLY A 27 -5.496 -8.113 -14.196 1.00 0.00 H new ATOM 0 HA3 GLY A 27 -6.714 -6.857 -14.300 1.00 0.00 H new ATOM 384 N ALA A 28 -6.010 -5.964 -12.106 1.00 0.00 N ATOM 385 CA ALA A 28 -5.705 -5.401 -10.802 1.00 0.00 C ATOM 386 C ALA A 28 -6.311 -3.999 -10.702 1.00 0.00 C ATOM 387 O ALA A 28 -6.659 -3.396 -11.716 1.00 0.00 O ATOM 388 CB ALA A 28 -4.190 -5.398 -10.588 1.00 0.00 C ATOM 0 H ALA A 28 -6.177 -5.275 -12.840 1.00 0.00 H new ATOM 0 HA ALA A 28 -6.144 -6.008 -10.010 1.00 0.00 H new ATOM 0 HB1 ALA A 28 -3.962 -4.975 -9.610 1.00 0.00 H new ATOM 0 HB2 ALA A 28 -3.813 -6.420 -10.639 1.00 0.00 H new ATOM 0 HB3 ALA A 28 -3.714 -4.797 -11.363 1.00 0.00 H new ATOM 394 N VAL A 29 -6.419 -3.522 -9.471 1.00 0.00 N ATOM 395 CA VAL A 29 -6.976 -2.203 -9.226 1.00 0.00 C ATOM 396 C VAL A 29 -5.976 -1.373 -8.419 1.00 0.00 C ATOM 397 O VAL A 29 -5.444 -1.841 -7.413 1.00 0.00 O ATOM 398 CB VAL A 29 -8.338 -2.330 -8.540 1.00 0.00 C ATOM 399 CG1 VAL A 29 -8.760 -1.001 -7.910 1.00 0.00 C ATOM 400 CG2 VAL A 29 -9.400 -2.834 -9.519 1.00 0.00 C ATOM 0 H VAL A 29 -6.130 -4.026 -8.632 1.00 0.00 H new ATOM 0 HA VAL A 29 -7.148 -1.680 -10.167 1.00 0.00 H new ATOM 0 HB VAL A 29 -8.244 -3.065 -7.741 1.00 0.00 H new ATOM 0 HG11 VAL A 29 -9.731 -1.118 -7.429 1.00 0.00 H new ATOM 0 HG12 VAL A 29 -8.021 -0.700 -7.167 1.00 0.00 H new ATOM 0 HG13 VAL A 29 -8.829 -0.237 -8.684 1.00 0.00 H new ATOM 0 HG21 VAL A 29 -10.358 -2.915 -9.006 1.00 0.00 H new ATOM 0 HG22 VAL A 29 -9.491 -2.134 -10.349 1.00 0.00 H new ATOM 0 HG23 VAL A 29 -9.108 -3.813 -9.900 1.00 0.00 H new ATOM 410 N ASP A 30 -5.750 -0.156 -8.890 1.00 0.00 N ATOM 411 CA ASP A 30 -4.822 0.744 -8.224 1.00 0.00 C ATOM 412 C ASP A 30 -5.599 1.663 -7.280 1.00 0.00 C ATOM 413 O ASP A 30 -6.402 2.481 -7.725 1.00 0.00 O ATOM 414 CB ASP A 30 -4.084 1.622 -9.237 1.00 0.00 C ATOM 415 CG ASP A 30 -2.867 0.968 -9.894 1.00 0.00 C ATOM 416 OD1 ASP A 30 -2.679 -0.246 -9.659 1.00 0.00 O ATOM 417 OD2 ASP A 30 -2.152 1.695 -10.616 1.00 0.00 O ATOM 0 H ASP A 30 -6.193 0.229 -9.724 1.00 0.00 H new ATOM 0 HA ASP A 30 -4.099 0.139 -7.677 1.00 0.00 H new ATOM 0 HB2 ASP A 30 -4.785 1.917 -10.018 1.00 0.00 H new ATOM 0 HB3 ASP A 30 -3.761 2.535 -8.737 1.00 0.00 H new ATOM 422 N TRP A 31 -5.332 1.497 -5.992 1.00 0.00 N ATOM 423 CA TRP A 31 -5.996 2.302 -4.981 1.00 0.00 C ATOM 424 C TRP A 31 -5.212 3.606 -4.825 1.00 0.00 C ATOM 425 O TRP A 31 -4.092 3.605 -4.318 1.00 0.00 O ATOM 426 CB TRP A 31 -6.136 1.528 -3.669 1.00 0.00 C ATOM 427 CG TRP A 31 -6.451 2.407 -2.458 1.00 0.00 C ATOM 428 CD1 TRP A 31 -7.122 3.567 -2.433 1.00 0.00 C ATOM 429 CD2 TRP A 31 -6.080 2.149 -1.087 1.00 0.00 C ATOM 430 NE1 TRP A 31 -7.209 4.074 -1.152 1.00 0.00 N ATOM 431 CE2 TRP A 31 -6.556 3.184 -0.308 1.00 0.00 C ATOM 432 CE3 TRP A 31 -5.366 1.076 -0.525 1.00 0.00 C ATOM 433 CZ2 TRP A 31 -6.369 3.248 1.078 1.00 0.00 C ATOM 434 CZ3 TRP A 31 -5.188 1.155 0.862 1.00 0.00 C ATOM 435 CH2 TRP A 31 -5.660 2.190 1.661 1.00 0.00 C ATOM 0 H TRP A 31 -4.665 0.817 -5.626 1.00 0.00 H new ATOM 0 HA TRP A 31 -7.014 2.543 -5.287 1.00 0.00 H new ATOM 0 HB2 TRP A 31 -6.925 0.785 -3.780 1.00 0.00 H new ATOM 0 HB3 TRP A 31 -5.210 0.984 -3.479 1.00 0.00 H new ATOM 0 HD1 TRP A 31 -7.542 4.045 -3.306 1.00 0.00 H new ATOM 0 HE1 TRP A 31 -7.668 4.942 -0.876 1.00 0.00 H new ATOM 0 HE3 TRP A 31 -4.985 0.256 -1.116 1.00 0.00 H new ATOM 0 HZ2 TRP A 31 -6.751 4.069 1.666 1.00 0.00 H new ATOM 0 HZ3 TRP A 31 -4.646 0.355 1.345 1.00 0.00 H new ATOM 0 HH2 TRP A 31 -5.481 2.178 2.726 1.00 0.00 H new ATOM 446 N THR A 32 -5.833 4.689 -5.270 1.00 0.00 N ATOM 447 CA THR A 32 -5.207 5.998 -5.187 1.00 0.00 C ATOM 448 C THR A 32 -4.971 6.383 -3.725 1.00 0.00 C ATOM 449 O THR A 32 -5.921 6.569 -2.967 1.00 0.00 O ATOM 450 CB THR A 32 -6.090 6.993 -5.942 1.00 0.00 C ATOM 451 OG1 THR A 32 -5.563 8.267 -5.582 1.00 0.00 O ATOM 452 CG2 THR A 32 -7.526 7.021 -5.415 1.00 0.00 C ATOM 0 H THR A 32 -6.763 4.687 -5.689 1.00 0.00 H new ATOM 0 HA THR A 32 -4.222 5.996 -5.654 1.00 0.00 H new ATOM 0 HB THR A 32 -6.098 6.739 -7.002 1.00 0.00 H new ATOM 0 HG1 THR A 32 -5.259 8.735 -6.388 1.00 0.00 H new ATOM 0 HG21 THR A 32 -8.109 7.744 -5.986 1.00 0.00 H new ATOM 0 HG22 THR A 32 -7.971 6.032 -5.520 1.00 0.00 H new ATOM 0 HG23 THR A 32 -7.522 7.308 -4.363 1.00 0.00 H new ATOM 460 N VAL A 33 -3.698 6.492 -3.374 1.00 0.00 N ATOM 461 CA VAL A 33 -3.324 6.853 -2.016 1.00 0.00 C ATOM 462 C VAL A 33 -2.403 8.073 -2.052 1.00 0.00 C ATOM 463 O VAL A 33 -1.367 8.054 -2.715 1.00 0.00 O ATOM 464 CB VAL A 33 -2.696 5.649 -1.310 1.00 0.00 C ATOM 465 CG1 VAL A 33 -2.361 5.982 0.146 1.00 0.00 C ATOM 466 CG2 VAL A 33 -3.609 4.425 -1.397 1.00 0.00 C ATOM 0 H VAL A 33 -2.912 6.337 -4.006 1.00 0.00 H new ATOM 0 HA VAL A 33 -4.205 7.130 -1.437 1.00 0.00 H new ATOM 0 HB VAL A 33 -1.764 5.408 -1.822 1.00 0.00 H new ATOM 0 HG11 VAL A 33 -1.916 5.110 0.626 1.00 0.00 H new ATOM 0 HG12 VAL A 33 -1.656 6.812 0.176 1.00 0.00 H new ATOM 0 HG13 VAL A 33 -3.273 6.261 0.674 1.00 0.00 H new ATOM 0 HG21 VAL A 33 -3.139 3.584 -0.888 1.00 0.00 H new ATOM 0 HG22 VAL A 33 -4.564 4.649 -0.922 1.00 0.00 H new ATOM 0 HG23 VAL A 33 -3.775 4.169 -2.443 1.00 0.00 H new ATOM 476 N HIS A 34 -2.813 9.106 -1.331 1.00 0.00 N ATOM 477 CA HIS A 34 -2.037 10.333 -1.272 1.00 0.00 C ATOM 478 C HIS A 34 -1.357 10.445 0.093 1.00 0.00 C ATOM 479 O HIS A 34 -0.319 11.092 0.223 1.00 0.00 O ATOM 480 CB HIS A 34 -2.911 11.545 -1.600 1.00 0.00 C ATOM 481 CG HIS A 34 -3.689 11.411 -2.888 1.00 0.00 C ATOM 482 ND1 HIS A 34 -3.688 12.387 -3.869 1.00 0.00 N ATOM 483 CD2 HIS A 34 -4.491 10.406 -3.344 1.00 0.00 C ATOM 484 CE1 HIS A 34 -4.459 11.977 -4.867 1.00 0.00 C ATOM 485 NE2 HIS A 34 -4.956 10.750 -4.539 1.00 0.00 N ATOM 0 H HIS A 34 -3.673 9.119 -0.783 1.00 0.00 H new ATOM 0 HA HIS A 34 -1.253 10.308 -2.029 1.00 0.00 H new ATOM 0 HB2 HIS A 34 -3.611 11.708 -0.780 1.00 0.00 H new ATOM 0 HB3 HIS A 34 -2.278 12.431 -1.660 1.00 0.00 H new ATOM 0 HD2 HIS A 34 -4.710 9.487 -2.822 1.00 0.00 H new ATOM 0 HE1 HIS A 34 -4.658 12.519 -5.779 1.00 0.00 H new ATOM 0 HE2 HIS A 34 -5.582 10.189 -5.117 1.00 0.00 H new ATOM 493 N SER A 35 -1.970 9.805 1.078 1.00 0.00 N ATOM 494 CA SER A 35 -1.437 9.825 2.430 1.00 0.00 C ATOM 495 C SER A 35 -0.611 8.562 2.685 1.00 0.00 C ATOM 496 O SER A 35 -0.932 7.774 3.573 1.00 0.00 O ATOM 497 CB SER A 35 -2.559 9.942 3.463 1.00 0.00 C ATOM 498 OG SER A 35 -2.817 11.298 3.819 1.00 0.00 O ATOM 0 H SER A 35 -2.831 9.269 0.967 1.00 0.00 H new ATOM 0 HA SER A 35 -0.794 10.699 2.531 1.00 0.00 H new ATOM 0 HB2 SER A 35 -3.468 9.493 3.063 1.00 0.00 H new ATOM 0 HB3 SER A 35 -2.290 9.377 4.356 1.00 0.00 H new ATOM 0 HG SER A 35 -3.541 11.331 4.479 1.00 0.00 H new ATOM 504 N GLY A 36 0.438 8.409 1.890 1.00 0.00 N ATOM 505 CA GLY A 36 1.313 7.256 2.018 1.00 0.00 C ATOM 506 C GLY A 36 1.670 6.999 3.484 1.00 0.00 C ATOM 507 O GLY A 36 1.444 5.905 3.998 1.00 0.00 O ATOM 0 H GLY A 36 0.702 9.065 1.155 1.00 0.00 H new ATOM 0 HA2 GLY A 36 0.825 6.376 1.599 1.00 0.00 H new ATOM 0 HA3 GLY A 36 2.223 7.420 1.442 1.00 0.00 H new ATOM 511 N PRO A 37 2.235 8.053 4.131 1.00 0.00 N ATOM 512 CA PRO A 37 2.625 7.952 5.527 1.00 0.00 C ATOM 513 C PRO A 37 1.401 8.002 6.443 1.00 0.00 C ATOM 514 O PRO A 37 1.441 7.501 7.566 1.00 0.00 O ATOM 515 CB PRO A 37 3.583 9.111 5.753 1.00 0.00 C ATOM 516 CG PRO A 37 3.335 10.085 4.612 1.00 0.00 C ATOM 517 CD PRO A 37 2.517 9.364 3.553 1.00 0.00 C ATOM 0 HA PRO A 37 3.107 7.003 5.761 1.00 0.00 H new ATOM 0 HB2 PRO A 37 3.402 9.585 6.718 1.00 0.00 H new ATOM 0 HB3 PRO A 37 4.618 8.768 5.756 1.00 0.00 H new ATOM 0 HG2 PRO A 37 2.803 10.966 4.971 1.00 0.00 H new ATOM 0 HG3 PRO A 37 4.280 10.432 4.194 1.00 0.00 H new ATOM 0 HD2 PRO A 37 1.597 9.904 3.328 1.00 0.00 H new ATOM 0 HD3 PRO A 37 3.071 9.274 2.618 1.00 0.00 H new ATOM 525 N GLN A 38 0.341 8.609 5.930 1.00 0.00 N ATOM 526 CA GLN A 38 -0.893 8.730 6.688 1.00 0.00 C ATOM 527 C GLN A 38 -1.853 7.596 6.324 1.00 0.00 C ATOM 528 O GLN A 38 -3.057 7.813 6.200 1.00 0.00 O ATOM 529 CB GLN A 38 -1.545 10.095 6.459 1.00 0.00 C ATOM 530 CG GLN A 38 -1.316 11.020 7.657 1.00 0.00 C ATOM 531 CD GLN A 38 -2.082 10.526 8.885 1.00 0.00 C ATOM 532 OE1 GLN A 38 -1.576 9.776 9.704 1.00 0.00 O ATOM 533 NE2 GLN A 38 -3.326 10.987 8.969 1.00 0.00 N ATOM 0 H GLN A 38 0.311 9.023 4.998 1.00 0.00 H new ATOM 0 HA GLN A 38 -0.654 8.651 7.749 1.00 0.00 H new ATOM 0 HB2 GLN A 38 -1.134 10.552 5.559 1.00 0.00 H new ATOM 0 HB3 GLN A 38 -2.615 9.968 6.292 1.00 0.00 H new ATOM 0 HG2 GLN A 38 -0.251 11.070 7.884 1.00 0.00 H new ATOM 0 HG3 GLN A 38 -1.636 12.031 7.407 1.00 0.00 H new ATOM 0 HE21 GLN A 38 -3.688 11.612 8.249 1.00 0.00 H new ATOM 0 HE22 GLN A 38 -3.919 10.716 9.754 1.00 0.00 H new ATOM 542 N LEU A 39 -1.284 6.410 6.164 1.00 0.00 N ATOM 543 CA LEU A 39 -2.074 5.242 5.816 1.00 0.00 C ATOM 544 C LEU A 39 -1.967 4.207 6.939 1.00 0.00 C ATOM 545 O LEU A 39 -0.893 4.011 7.506 1.00 0.00 O ATOM 546 CB LEU A 39 -1.663 4.705 4.444 1.00 0.00 C ATOM 547 CG LEU A 39 -2.489 3.535 3.906 1.00 0.00 C ATOM 548 CD1 LEU A 39 -3.911 3.980 3.560 1.00 0.00 C ATOM 549 CD2 LEU A 39 -1.791 2.871 2.718 1.00 0.00 C ATOM 0 H LEU A 39 -0.285 6.233 6.269 1.00 0.00 H new ATOM 0 HA LEU A 39 -3.127 5.508 5.725 1.00 0.00 H new ATOM 0 HB2 LEU A 39 -1.717 5.523 3.725 1.00 0.00 H new ATOM 0 HB3 LEU A 39 -0.620 4.394 4.495 1.00 0.00 H new ATOM 0 HG LEU A 39 -2.569 2.785 4.692 1.00 0.00 H new ATOM 0 HD11 LEU A 39 -4.476 3.129 3.180 1.00 0.00 H new ATOM 0 HD12 LEU A 39 -4.398 4.369 4.454 1.00 0.00 H new ATOM 0 HD13 LEU A 39 -3.873 4.759 2.799 1.00 0.00 H new ATOM 0 HD21 LEU A 39 -2.399 2.043 2.355 1.00 0.00 H new ATOM 0 HD22 LEU A 39 -1.658 3.601 1.919 1.00 0.00 H new ATOM 0 HD23 LEU A 39 -0.817 2.495 3.032 1.00 0.00 H new ATOM 561 N LEU A 40 -3.094 3.573 7.225 1.00 0.00 N ATOM 562 CA LEU A 40 -3.140 2.563 8.269 1.00 0.00 C ATOM 563 C LEU A 40 -3.499 1.211 7.650 1.00 0.00 C ATOM 564 O LEU A 40 -4.030 1.153 6.541 1.00 0.00 O ATOM 565 CB LEU A 40 -4.086 2.996 9.391 1.00 0.00 C ATOM 566 CG LEU A 40 -3.647 4.214 10.207 1.00 0.00 C ATOM 567 CD1 LEU A 40 -4.792 4.732 11.078 1.00 0.00 C ATOM 568 CD2 LEU A 40 -2.397 3.899 11.031 1.00 0.00 C ATOM 0 H LEU A 40 -3.983 3.739 6.752 1.00 0.00 H new ATOM 0 HA LEU A 40 -2.160 2.451 8.734 1.00 0.00 H new ATOM 0 HB2 LEU A 40 -5.062 3.209 8.954 1.00 0.00 H new ATOM 0 HB3 LEU A 40 -4.218 2.156 10.072 1.00 0.00 H new ATOM 0 HG LEU A 40 -3.383 5.013 9.514 1.00 0.00 H new ATOM 0 HD11 LEU A 40 -4.453 5.598 11.647 1.00 0.00 H new ATOM 0 HD12 LEU A 40 -5.630 5.020 10.444 1.00 0.00 H new ATOM 0 HD13 LEU A 40 -5.110 3.948 11.765 1.00 0.00 H new ATOM 0 HD21 LEU A 40 -2.106 4.781 11.602 1.00 0.00 H new ATOM 0 HD22 LEU A 40 -2.610 3.078 11.715 1.00 0.00 H new ATOM 0 HD23 LEU A 40 -1.584 3.614 10.364 1.00 0.00 H new ATOM 580 N PHE A 41 -3.195 0.157 8.392 1.00 0.00 N ATOM 581 CA PHE A 41 -3.479 -1.191 7.930 1.00 0.00 C ATOM 582 C PHE A 41 -4.971 -1.370 7.645 1.00 0.00 C ATOM 583 O PHE A 41 -5.351 -1.837 6.572 1.00 0.00 O ATOM 584 CB PHE A 41 -3.068 -2.145 9.053 1.00 0.00 C ATOM 585 CG PHE A 41 -3.272 -3.624 8.719 1.00 0.00 C ATOM 586 CD1 PHE A 41 -2.696 -4.157 7.608 1.00 0.00 C ATOM 587 CD2 PHE A 41 -4.030 -4.407 9.533 1.00 0.00 C ATOM 588 CE1 PHE A 41 -2.886 -5.529 7.298 1.00 0.00 C ATOM 589 CE2 PHE A 41 -4.220 -5.779 9.223 1.00 0.00 C ATOM 590 CZ PHE A 41 -3.644 -6.312 8.112 1.00 0.00 C ATOM 0 H PHE A 41 -2.755 0.209 9.311 1.00 0.00 H new ATOM 0 HA PHE A 41 -2.934 -1.390 7.007 1.00 0.00 H new ATOM 0 HB2 PHE A 41 -2.017 -1.978 9.291 1.00 0.00 H new ATOM 0 HB3 PHE A 41 -3.640 -1.903 9.949 1.00 0.00 H new ATOM 0 HD1 PHE A 41 -2.094 -3.536 6.961 1.00 0.00 H new ATOM 0 HD2 PHE A 41 -4.487 -3.985 10.415 1.00 0.00 H new ATOM 0 HE1 PHE A 41 -2.429 -5.951 6.416 1.00 0.00 H new ATOM 0 HE2 PHE A 41 -4.822 -6.400 9.870 1.00 0.00 H new ATOM 0 HZ PHE A 41 -3.788 -7.356 7.876 1.00 0.00 H new ATOM 600 N ARG A 42 -5.778 -0.990 8.625 1.00 0.00 N ATOM 601 CA ARG A 42 -7.220 -1.103 8.494 1.00 0.00 C ATOM 602 C ARG A 42 -7.688 -0.448 7.192 1.00 0.00 C ATOM 603 O ARG A 42 -8.405 -1.065 6.406 1.00 0.00 O ATOM 604 CB ARG A 42 -7.935 -0.442 9.674 1.00 0.00 C ATOM 605 CG ARG A 42 -7.458 -1.032 11.003 1.00 0.00 C ATOM 606 CD ARG A 42 -7.590 -2.557 11.005 1.00 0.00 C ATOM 607 NE ARG A 42 -8.897 -2.952 10.434 1.00 0.00 N ATOM 608 CZ ARG A 42 -10.035 -3.021 11.139 1.00 0.00 C ATOM 609 NH1 ARG A 42 -10.033 -2.721 12.445 1.00 0.00 N ATOM 610 NH2 ARG A 42 -11.174 -3.390 10.537 1.00 0.00 N ATOM 0 H ARG A 42 -5.460 -0.603 9.514 1.00 0.00 H new ATOM 0 HA ARG A 42 -7.469 -2.164 8.482 1.00 0.00 H new ATOM 0 HB2 ARG A 42 -7.749 0.632 9.661 1.00 0.00 H new ATOM 0 HB3 ARG A 42 -9.012 -0.581 9.576 1.00 0.00 H new ATOM 0 HG2 ARG A 42 -6.419 -0.753 11.177 1.00 0.00 H new ATOM 0 HG3 ARG A 42 -8.042 -0.612 11.822 1.00 0.00 H new ATOM 0 HD2 ARG A 42 -6.781 -3.001 10.425 1.00 0.00 H new ATOM 0 HD3 ARG A 42 -7.498 -2.937 12.023 1.00 0.00 H new ATOM 0 HE ARG A 42 -8.934 -3.186 9.442 1.00 0.00 H new ATOM 0 HH11 ARG A 42 -9.166 -2.440 12.902 1.00 0.00 H new ATOM 0 HH12 ARG A 42 -10.899 -2.773 12.982 1.00 0.00 H new ATOM 0 HH21 ARG A 42 -11.175 -3.618 9.543 1.00 0.00 H new ATOM 0 HH22 ARG A 42 -12.040 -3.443 11.073 1.00 0.00 H new ATOM 624 N ASP A 43 -7.262 0.792 7.006 1.00 0.00 N ATOM 625 CA ASP A 43 -7.628 1.537 5.813 1.00 0.00 C ATOM 626 C ASP A 43 -7.529 0.619 4.593 1.00 0.00 C ATOM 627 O ASP A 43 -8.471 0.521 3.808 1.00 0.00 O ATOM 628 CB ASP A 43 -6.683 2.721 5.592 1.00 0.00 C ATOM 629 CG ASP A 43 -6.883 3.896 6.551 1.00 0.00 C ATOM 630 OD1 ASP A 43 -7.816 3.801 7.377 1.00 0.00 O ATOM 631 OD2 ASP A 43 -6.099 4.862 6.435 1.00 0.00 O ATOM 0 H ASP A 43 -6.667 1.300 7.661 1.00 0.00 H new ATOM 0 HA ASP A 43 -8.645 1.906 5.945 1.00 0.00 H new ATOM 0 HB2 ASP A 43 -5.656 2.368 5.683 1.00 0.00 H new ATOM 0 HB3 ASP A 43 -6.808 3.080 4.570 1.00 0.00 H new ATOM 636 N VAL A 44 -6.380 -0.030 4.472 1.00 0.00 N ATOM 637 CA VAL A 44 -6.147 -0.937 3.361 1.00 0.00 C ATOM 638 C VAL A 44 -7.278 -1.965 3.301 1.00 0.00 C ATOM 639 O VAL A 44 -7.822 -2.233 2.230 1.00 0.00 O ATOM 640 CB VAL A 44 -4.763 -1.578 3.490 1.00 0.00 C ATOM 641 CG1 VAL A 44 -4.493 -2.536 2.329 1.00 0.00 C ATOM 642 CG2 VAL A 44 -3.672 -0.510 3.586 1.00 0.00 C ATOM 0 H VAL A 44 -5.601 0.054 5.125 1.00 0.00 H new ATOM 0 HA VAL A 44 -6.152 -0.393 2.417 1.00 0.00 H new ATOM 0 HB VAL A 44 -4.746 -2.158 4.413 1.00 0.00 H new ATOM 0 HG11 VAL A 44 -3.503 -2.978 2.445 1.00 0.00 H new ATOM 0 HG12 VAL A 44 -5.245 -3.325 2.326 1.00 0.00 H new ATOM 0 HG13 VAL A 44 -4.538 -1.989 1.388 1.00 0.00 H new ATOM 0 HG21 VAL A 44 -2.698 -0.992 3.677 1.00 0.00 H new ATOM 0 HG22 VAL A 44 -3.688 0.109 2.689 1.00 0.00 H new ATOM 0 HG23 VAL A 44 -3.851 0.115 4.461 1.00 0.00 H new ATOM 652 N LEU A 45 -7.600 -2.512 4.463 1.00 0.00 N ATOM 653 CA LEU A 45 -8.657 -3.505 4.556 1.00 0.00 C ATOM 654 C LEU A 45 -10.003 -2.839 4.263 1.00 0.00 C ATOM 655 O LEU A 45 -10.895 -3.461 3.688 1.00 0.00 O ATOM 656 CB LEU A 45 -8.606 -4.218 5.909 1.00 0.00 C ATOM 657 CG LEU A 45 -7.408 -5.143 6.134 1.00 0.00 C ATOM 658 CD1 LEU A 45 -6.970 -5.801 4.824 1.00 0.00 C ATOM 659 CD2 LEU A 45 -6.258 -4.397 6.813 1.00 0.00 C ATOM 0 H LEU A 45 -7.148 -2.287 5.349 1.00 0.00 H new ATOM 0 HA LEU A 45 -8.515 -4.283 3.806 1.00 0.00 H new ATOM 0 HB2 LEU A 45 -8.610 -3.463 6.696 1.00 0.00 H new ATOM 0 HB3 LEU A 45 -9.518 -4.803 6.024 1.00 0.00 H new ATOM 0 HG LEU A 45 -7.716 -5.942 6.809 1.00 0.00 H new ATOM 0 HD11 LEU A 45 -6.117 -6.453 5.012 1.00 0.00 H new ATOM 0 HD12 LEU A 45 -7.794 -6.389 4.419 1.00 0.00 H new ATOM 0 HD13 LEU A 45 -6.687 -5.031 4.107 1.00 0.00 H new ATOM 0 HD21 LEU A 45 -5.420 -5.078 6.961 1.00 0.00 H new ATOM 0 HD22 LEU A 45 -5.943 -3.564 6.184 1.00 0.00 H new ATOM 0 HD23 LEU A 45 -6.591 -4.016 7.779 1.00 0.00 H new ATOM 671 N ASP A 46 -10.108 -1.583 4.673 1.00 0.00 N ATOM 672 CA ASP A 46 -11.330 -0.826 4.461 1.00 0.00 C ATOM 673 C ASP A 46 -11.488 -0.528 2.969 1.00 0.00 C ATOM 674 O ASP A 46 -12.604 -0.347 2.484 1.00 0.00 O ATOM 675 CB ASP A 46 -11.288 0.508 5.209 1.00 0.00 C ATOM 676 CG ASP A 46 -11.875 0.477 6.621 1.00 0.00 C ATOM 677 OD1 ASP A 46 -13.121 0.479 6.718 1.00 0.00 O ATOM 678 OD2 ASP A 46 -11.064 0.452 7.572 1.00 0.00 O ATOM 0 H ASP A 46 -9.367 -1.071 5.151 1.00 0.00 H new ATOM 0 HA ASP A 46 -12.164 -1.421 4.832 1.00 0.00 H new ATOM 0 HB2 ASP A 46 -10.252 0.841 5.270 1.00 0.00 H new ATOM 0 HB3 ASP A 46 -11.828 1.252 4.624 1.00 0.00 H new ATOM 683 N VAL A 47 -10.355 -0.485 2.283 1.00 0.00 N ATOM 684 CA VAL A 47 -10.354 -0.212 0.857 1.00 0.00 C ATOM 685 C VAL A 47 -10.566 -1.519 0.091 1.00 0.00 C ATOM 686 O VAL A 47 -11.525 -1.649 -0.669 1.00 0.00 O ATOM 687 CB VAL A 47 -9.063 0.509 0.463 1.00 0.00 C ATOM 688 CG1 VAL A 47 -8.901 0.552 -1.058 1.00 0.00 C ATOM 689 CG2 VAL A 47 -9.017 1.917 1.059 1.00 0.00 C ATOM 0 H VAL A 47 -9.431 -0.635 2.689 1.00 0.00 H new ATOM 0 HA VAL A 47 -11.176 0.455 0.596 1.00 0.00 H new ATOM 0 HB VAL A 47 -8.226 -0.056 0.873 1.00 0.00 H new ATOM 0 HG11 VAL A 47 -7.976 1.070 -1.311 1.00 0.00 H new ATOM 0 HG12 VAL A 47 -8.866 -0.465 -1.449 1.00 0.00 H new ATOM 0 HG13 VAL A 47 -9.745 1.082 -1.499 1.00 0.00 H new ATOM 0 HG21 VAL A 47 -8.089 2.407 0.764 1.00 0.00 H new ATOM 0 HG22 VAL A 47 -9.865 2.495 0.693 1.00 0.00 H new ATOM 0 HG23 VAL A 47 -9.064 1.854 2.146 1.00 0.00 H new ATOM 699 N ILE A 48 -9.656 -2.455 0.317 1.00 0.00 N ATOM 700 CA ILE A 48 -9.731 -3.747 -0.342 1.00 0.00 C ATOM 701 C ILE A 48 -11.162 -4.282 -0.244 1.00 0.00 C ATOM 702 O ILE A 48 -11.680 -4.857 -1.200 1.00 0.00 O ATOM 703 CB ILE A 48 -8.678 -4.701 0.226 1.00 0.00 C ATOM 704 CG1 ILE A 48 -7.288 -4.373 -0.323 1.00 0.00 C ATOM 705 CG2 ILE A 48 -9.065 -6.159 -0.028 1.00 0.00 C ATOM 706 CD1 ILE A 48 -6.214 -5.220 0.362 1.00 0.00 C ATOM 0 H ILE A 48 -8.862 -2.344 0.948 1.00 0.00 H new ATOM 0 HA ILE A 48 -9.498 -3.648 -1.402 1.00 0.00 H new ATOM 0 HB ILE A 48 -8.639 -4.562 1.306 1.00 0.00 H new ATOM 0 HG12 ILE A 48 -7.266 -4.552 -1.398 1.00 0.00 H new ATOM 0 HG13 ILE A 48 -7.074 -3.315 -0.171 1.00 0.00 H new ATOM 0 HG21 ILE A 48 -8.300 -6.816 0.386 1.00 0.00 H new ATOM 0 HG22 ILE A 48 -10.022 -6.370 0.450 1.00 0.00 H new ATOM 0 HG23 ILE A 48 -9.150 -6.331 -1.101 1.00 0.00 H new ATOM 0 HD11 ILE A 48 -5.236 -4.967 -0.047 1.00 0.00 H new ATOM 0 HD12 ILE A 48 -6.222 -5.021 1.434 1.00 0.00 H new ATOM 0 HD13 ILE A 48 -6.418 -6.277 0.188 1.00 0.00 H new ATOM 718 N GLY A 49 -11.759 -4.074 0.920 1.00 0.00 N ATOM 719 CA GLY A 49 -13.119 -4.529 1.155 1.00 0.00 C ATOM 720 C GLY A 49 -14.051 -4.072 0.032 1.00 0.00 C ATOM 721 O GLY A 49 -15.013 -4.762 -0.301 1.00 0.00 O ATOM 0 H GLY A 49 -11.326 -3.597 1.711 1.00 0.00 H new ATOM 0 HA2 GLY A 49 -13.135 -5.617 1.226 1.00 0.00 H new ATOM 0 HA3 GLY A 49 -13.476 -4.142 2.109 1.00 0.00 H new ATOM 725 N GLN A 50 -13.734 -2.910 -0.522 1.00 0.00 N ATOM 726 CA GLN A 50 -14.531 -2.353 -1.601 1.00 0.00 C ATOM 727 C GLN A 50 -14.157 -3.009 -2.932 1.00 0.00 C ATOM 728 O GLN A 50 -15.002 -3.165 -3.811 1.00 0.00 O ATOM 729 CB GLN A 50 -14.369 -0.834 -1.675 1.00 0.00 C ATOM 730 CG GLN A 50 -14.635 -0.187 -0.314 1.00 0.00 C ATOM 731 CD GLN A 50 -15.598 0.994 -0.447 1.00 0.00 C ATOM 732 OE1 GLN A 50 -16.764 0.845 -0.773 1.00 0.00 O ATOM 733 NE2 GLN A 50 -15.047 2.174 -0.177 1.00 0.00 N ATOM 0 H GLN A 50 -12.936 -2.339 -0.243 1.00 0.00 H new ATOM 0 HA GLN A 50 -15.581 -2.564 -1.396 1.00 0.00 H new ATOM 0 HB2 GLN A 50 -13.361 -0.588 -2.008 1.00 0.00 H new ATOM 0 HB3 GLN A 50 -15.057 -0.427 -2.416 1.00 0.00 H new ATOM 0 HG2 GLN A 50 -15.053 -0.927 0.369 1.00 0.00 H new ATOM 0 HG3 GLN A 50 -13.695 0.153 0.121 1.00 0.00 H new ATOM 0 HE21 GLN A 50 -14.064 2.229 0.090 1.00 0.00 H new ATOM 0 HE22 GLN A 50 -15.607 3.024 -0.237 1.00 0.00 H new ATOM 742 N VAL A 51 -12.888 -3.377 -3.037 1.00 0.00 N ATOM 743 CA VAL A 51 -12.391 -4.013 -4.245 1.00 0.00 C ATOM 744 C VAL A 51 -12.882 -5.462 -4.293 1.00 0.00 C ATOM 745 O VAL A 51 -13.342 -5.931 -5.332 1.00 0.00 O ATOM 746 CB VAL A 51 -10.867 -3.896 -4.310 1.00 0.00 C ATOM 747 CG1 VAL A 51 -10.316 -4.592 -5.555 1.00 0.00 C ATOM 748 CG2 VAL A 51 -10.427 -2.431 -4.260 1.00 0.00 C ATOM 0 H VAL A 51 -12.190 -3.247 -2.305 1.00 0.00 H new ATOM 0 HA VAL A 51 -12.780 -3.508 -5.129 1.00 0.00 H new ATOM 0 HB VAL A 51 -10.455 -4.400 -3.436 1.00 0.00 H new ATOM 0 HG11 VAL A 51 -9.231 -4.494 -5.576 1.00 0.00 H new ATOM 0 HG12 VAL A 51 -10.584 -5.648 -5.530 1.00 0.00 H new ATOM 0 HG13 VAL A 51 -10.740 -4.131 -6.447 1.00 0.00 H new ATOM 0 HG21 VAL A 51 -9.339 -2.376 -4.308 1.00 0.00 H new ATOM 0 HG22 VAL A 51 -10.855 -1.893 -5.106 1.00 0.00 H new ATOM 0 HG23 VAL A 51 -10.773 -1.979 -3.330 1.00 0.00 H new ATOM 758 N LEU A 52 -12.766 -6.130 -3.154 1.00 0.00 N ATOM 759 CA LEU A 52 -13.192 -7.515 -3.053 1.00 0.00 C ATOM 760 C LEU A 52 -14.267 -7.636 -1.971 1.00 0.00 C ATOM 761 O LEU A 52 -13.987 -8.083 -0.860 1.00 0.00 O ATOM 762 CB LEU A 52 -11.988 -8.431 -2.828 1.00 0.00 C ATOM 763 CG LEU A 52 -11.156 -8.763 -4.068 1.00 0.00 C ATOM 764 CD1 LEU A 52 -10.333 -7.554 -4.516 1.00 0.00 C ATOM 765 CD2 LEU A 52 -10.282 -9.995 -3.828 1.00 0.00 C ATOM 0 H LEU A 52 -12.383 -5.737 -2.294 1.00 0.00 H new ATOM 0 HA LEU A 52 -13.643 -7.844 -3.989 1.00 0.00 H new ATOM 0 HB2 LEU A 52 -11.335 -7.964 -2.091 1.00 0.00 H new ATOM 0 HB3 LEU A 52 -12.344 -9.365 -2.393 1.00 0.00 H new ATOM 0 HG LEU A 52 -11.839 -9.007 -4.882 1.00 0.00 H new ATOM 0 HD11 LEU A 52 -9.751 -7.817 -5.399 1.00 0.00 H new ATOM 0 HD12 LEU A 52 -11.002 -6.727 -4.755 1.00 0.00 H new ATOM 0 HD13 LEU A 52 -9.659 -7.255 -3.713 1.00 0.00 H new ATOM 0 HD21 LEU A 52 -9.701 -10.209 -4.725 1.00 0.00 H new ATOM 0 HD22 LEU A 52 -9.606 -9.805 -2.994 1.00 0.00 H new ATOM 0 HD23 LEU A 52 -10.915 -10.850 -3.593 1.00 0.00 H new ATOM 777 N PRO A 53 -15.507 -7.218 -2.343 1.00 0.00 N ATOM 778 CA PRO A 53 -16.625 -7.275 -1.417 1.00 0.00 C ATOM 779 C PRO A 53 -17.123 -8.711 -1.246 1.00 0.00 C ATOM 780 O PRO A 53 -17.794 -9.027 -0.265 1.00 0.00 O ATOM 781 CB PRO A 53 -17.674 -6.349 -2.010 1.00 0.00 C ATOM 782 CG PRO A 53 -17.296 -6.171 -3.472 1.00 0.00 C ATOM 783 CD PRO A 53 -15.875 -6.682 -3.650 1.00 0.00 C ATOM 0 HA PRO A 53 -16.354 -6.956 -0.411 1.00 0.00 H new ATOM 0 HB2 PRO A 53 -18.672 -6.777 -1.914 1.00 0.00 H new ATOM 0 HB3 PRO A 53 -17.687 -5.391 -1.491 1.00 0.00 H new ATOM 0 HG2 PRO A 53 -17.983 -6.722 -4.114 1.00 0.00 H new ATOM 0 HG3 PRO A 53 -17.363 -5.122 -3.759 1.00 0.00 H new ATOM 0 HD2 PRO A 53 -15.824 -7.450 -4.422 1.00 0.00 H new ATOM 0 HD3 PRO A 53 -15.201 -5.881 -3.953 1.00 0.00 H new ATOM 791 N GLU A 54 -16.775 -9.543 -2.217 1.00 0.00 N ATOM 792 CA GLU A 54 -17.178 -10.939 -2.186 1.00 0.00 C ATOM 793 C GLU A 54 -16.054 -11.804 -1.614 1.00 0.00 C ATOM 794 O GLU A 54 -16.237 -13.000 -1.393 1.00 0.00 O ATOM 795 CB GLU A 54 -17.587 -11.422 -3.579 1.00 0.00 C ATOM 796 CG GLU A 54 -17.256 -12.905 -3.764 1.00 0.00 C ATOM 797 CD GLU A 54 -17.733 -13.407 -5.129 1.00 0.00 C ATOM 798 OE1 GLU A 54 -16.954 -13.252 -6.094 1.00 0.00 O ATOM 799 OE2 GLU A 54 -18.865 -13.934 -5.176 1.00 0.00 O ATOM 0 H GLU A 54 -16.219 -9.277 -3.030 1.00 0.00 H new ATOM 0 HA GLU A 54 -18.047 -11.031 -1.535 1.00 0.00 H new ATOM 0 HB2 GLU A 54 -18.656 -11.263 -3.724 1.00 0.00 H new ATOM 0 HB3 GLU A 54 -17.072 -10.833 -4.338 1.00 0.00 H new ATOM 0 HG2 GLU A 54 -16.180 -13.055 -3.673 1.00 0.00 H new ATOM 0 HG3 GLU A 54 -17.728 -13.488 -2.973 1.00 0.00 H new ATOM 806 N ALA A 55 -14.915 -11.165 -1.389 1.00 0.00 N ATOM 807 CA ALA A 55 -13.761 -11.861 -0.847 1.00 0.00 C ATOM 808 C ALA A 55 -13.050 -10.954 0.160 1.00 0.00 C ATOM 809 O ALA A 55 -12.031 -10.345 -0.159 1.00 0.00 O ATOM 810 CB ALA A 55 -12.842 -12.295 -1.990 1.00 0.00 C ATOM 0 H ALA A 55 -14.767 -10.173 -1.572 1.00 0.00 H new ATOM 0 HA ALA A 55 -14.071 -12.762 -0.318 1.00 0.00 H new ATOM 0 HB1 ALA A 55 -11.976 -12.817 -1.583 1.00 0.00 H new ATOM 0 HB2 ALA A 55 -13.385 -12.961 -2.661 1.00 0.00 H new ATOM 0 HB3 ALA A 55 -12.509 -11.416 -2.543 1.00 0.00 H new ATOM 816 N THR A 56 -13.617 -10.894 1.356 1.00 0.00 N ATOM 817 CA THR A 56 -13.051 -10.071 2.412 1.00 0.00 C ATOM 818 C THR A 56 -11.550 -10.336 2.547 1.00 0.00 C ATOM 819 O THR A 56 -11.034 -11.304 1.991 1.00 0.00 O ATOM 820 CB THR A 56 -13.834 -10.346 3.697 1.00 0.00 C ATOM 821 OG1 THR A 56 -13.371 -9.350 4.605 1.00 0.00 O ATOM 822 CG2 THR A 56 -13.433 -11.667 4.356 1.00 0.00 C ATOM 0 H THR A 56 -14.462 -11.402 1.617 1.00 0.00 H new ATOM 0 HA THR A 56 -13.143 -9.010 2.179 1.00 0.00 H new ATOM 0 HB THR A 56 -14.901 -10.361 3.476 1.00 0.00 H new ATOM 0 HG1 THR A 56 -13.829 -9.453 5.465 1.00 0.00 H new ATOM 0 HG21 THR A 56 -14.019 -11.813 5.264 1.00 0.00 H new ATOM 0 HG22 THR A 56 -13.621 -12.490 3.666 1.00 0.00 H new ATOM 0 HG23 THR A 56 -12.373 -11.641 4.608 1.00 0.00 H new ATOM 830 N THR A 57 -10.891 -9.458 3.289 1.00 0.00 N ATOM 831 CA THR A 57 -9.460 -9.585 3.504 1.00 0.00 C ATOM 832 C THR A 57 -9.033 -8.784 4.736 1.00 0.00 C ATOM 833 O THR A 57 -9.477 -7.654 4.931 1.00 0.00 O ATOM 834 CB THR A 57 -8.749 -9.151 2.221 1.00 0.00 C ATOM 835 OG1 THR A 57 -8.553 -10.367 1.504 1.00 0.00 O ATOM 836 CG2 THR A 57 -7.330 -8.640 2.482 1.00 0.00 C ATOM 0 H THR A 57 -11.322 -8.656 3.749 1.00 0.00 H new ATOM 0 HA THR A 57 -9.181 -10.618 3.714 1.00 0.00 H new ATOM 0 HB THR A 57 -9.331 -8.371 1.730 1.00 0.00 H new ATOM 0 HG1 THR A 57 -9.359 -10.920 1.572 1.00 0.00 H new ATOM 0 HG21 THR A 57 -6.870 -8.345 1.539 1.00 0.00 H new ATOM 0 HG22 THR A 57 -7.370 -7.780 3.151 1.00 0.00 H new ATOM 0 HG23 THR A 57 -6.738 -9.430 2.943 1.00 0.00 H new ATOM 844 N THR A 58 -8.176 -9.402 5.536 1.00 0.00 N ATOM 845 CA THR A 58 -7.684 -8.761 6.743 1.00 0.00 C ATOM 846 C THR A 58 -6.224 -8.339 6.566 1.00 0.00 C ATOM 847 O THR A 58 -5.813 -7.289 7.058 1.00 0.00 O ATOM 848 CB THR A 58 -7.901 -9.724 7.912 1.00 0.00 C ATOM 849 OG1 THR A 58 -9.316 -9.761 8.073 1.00 0.00 O ATOM 850 CG2 THR A 58 -7.390 -9.159 9.239 1.00 0.00 C ATOM 0 H THR A 58 -7.810 -10.340 5.372 1.00 0.00 H new ATOM 0 HA THR A 58 -8.231 -7.842 6.954 1.00 0.00 H new ATOM 0 HB THR A 58 -7.399 -10.668 7.702 1.00 0.00 H new ATOM 0 HG1 THR A 58 -9.570 -10.581 8.546 1.00 0.00 H new ATOM 0 HG21 THR A 58 -7.568 -9.882 10.035 1.00 0.00 H new ATOM 0 HG22 THR A 58 -6.321 -8.960 9.162 1.00 0.00 H new ATOM 0 HG23 THR A 58 -7.916 -8.232 9.466 1.00 0.00 H new ATOM 858 N ALA A 59 -5.480 -9.180 5.863 1.00 0.00 N ATOM 859 CA ALA A 59 -4.074 -8.908 5.615 1.00 0.00 C ATOM 860 C ALA A 59 -3.801 -8.989 4.112 1.00 0.00 C ATOM 861 O ALA A 59 -4.631 -9.484 3.352 1.00 0.00 O ATOM 862 CB ALA A 59 -3.215 -9.887 6.418 1.00 0.00 C ATOM 0 H ALA A 59 -5.824 -10.050 5.457 1.00 0.00 H new ATOM 0 HA ALA A 59 -3.814 -7.902 5.943 1.00 0.00 H new ATOM 0 HB1 ALA A 59 -2.161 -9.683 6.232 1.00 0.00 H new ATOM 0 HB2 ALA A 59 -3.426 -9.769 7.481 1.00 0.00 H new ATOM 0 HB3 ALA A 59 -3.446 -10.908 6.114 1.00 0.00 H new ATOM 868 N PHE A 60 -2.633 -8.495 3.728 1.00 0.00 N ATOM 869 CA PHE A 60 -2.240 -8.505 2.329 1.00 0.00 C ATOM 870 C PHE A 60 -0.730 -8.710 2.185 1.00 0.00 C ATOM 871 O PHE A 60 0.032 -8.401 3.100 1.00 0.00 O ATOM 872 CB PHE A 60 -2.615 -7.140 1.749 1.00 0.00 C ATOM 873 CG PHE A 60 -2.240 -5.959 2.646 1.00 0.00 C ATOM 874 CD1 PHE A 60 -3.059 -5.596 3.669 1.00 0.00 C ATOM 875 CD2 PHE A 60 -1.089 -5.271 2.419 1.00 0.00 C ATOM 876 CE1 PHE A 60 -2.712 -4.499 4.502 1.00 0.00 C ATOM 877 CE2 PHE A 60 -0.742 -4.174 3.252 1.00 0.00 C ATOM 878 CZ PHE A 60 -1.560 -3.811 4.275 1.00 0.00 C ATOM 0 H PHE A 60 -1.946 -8.085 4.361 1.00 0.00 H new ATOM 0 HA PHE A 60 -2.742 -9.320 1.808 1.00 0.00 H new ATOM 0 HB2 PHE A 60 -2.124 -7.020 0.783 1.00 0.00 H new ATOM 0 HB3 PHE A 60 -3.689 -7.117 1.566 1.00 0.00 H new ATOM 0 HD1 PHE A 60 -3.973 -6.142 3.848 1.00 0.00 H new ATOM 0 HD2 PHE A 60 -0.439 -5.559 1.606 1.00 0.00 H new ATOM 0 HE1 PHE A 60 -3.362 -4.211 5.315 1.00 0.00 H new ATOM 0 HE2 PHE A 60 0.172 -3.628 3.072 1.00 0.00 H new ATOM 0 HZ PHE A 60 -1.296 -2.977 4.908 1.00 0.00 H new ATOM 888 N GLU A 61 -0.343 -9.230 1.030 1.00 0.00 N ATOM 889 CA GLU A 61 1.062 -9.479 0.754 1.00 0.00 C ATOM 890 C GLU A 61 1.586 -8.479 -0.278 1.00 0.00 C ATOM 891 O GLU A 61 0.815 -7.935 -1.068 1.00 0.00 O ATOM 892 CB GLU A 61 1.281 -10.918 0.285 1.00 0.00 C ATOM 893 CG GLU A 61 1.028 -11.911 1.421 1.00 0.00 C ATOM 894 CD GLU A 61 1.771 -13.226 1.176 1.00 0.00 C ATOM 895 OE1 GLU A 61 1.240 -14.039 0.389 1.00 0.00 O ATOM 896 OE2 GLU A 61 2.852 -13.389 1.782 1.00 0.00 O ATOM 0 H GLU A 61 -0.978 -9.486 0.274 1.00 0.00 H new ATOM 0 HA GLU A 61 1.624 -9.344 1.678 1.00 0.00 H new ATOM 0 HB2 GLU A 61 0.615 -11.137 -0.549 1.00 0.00 H new ATOM 0 HB3 GLU A 61 2.301 -11.033 -0.083 1.00 0.00 H new ATOM 0 HG2 GLU A 61 1.352 -11.477 2.367 1.00 0.00 H new ATOM 0 HG3 GLU A 61 -0.041 -12.104 1.508 1.00 0.00 H new ATOM 903 N TYR A 62 2.893 -8.267 -0.239 1.00 0.00 N ATOM 904 CA TYR A 62 3.529 -7.343 -1.162 1.00 0.00 C ATOM 905 C TYR A 62 5.005 -7.695 -1.361 1.00 0.00 C ATOM 906 O TYR A 62 5.730 -7.917 -0.393 1.00 0.00 O ATOM 907 CB TYR A 62 3.431 -5.962 -0.510 1.00 0.00 C ATOM 908 CG TYR A 62 4.540 -5.671 0.503 1.00 0.00 C ATOM 909 CD1 TYR A 62 5.804 -5.335 0.064 1.00 0.00 C ATOM 910 CD2 TYR A 62 4.276 -5.746 1.855 1.00 0.00 C ATOM 911 CE1 TYR A 62 6.848 -5.061 1.017 1.00 0.00 C ATOM 912 CE2 TYR A 62 5.320 -5.472 2.809 1.00 0.00 C ATOM 913 CZ TYR A 62 6.555 -5.143 2.343 1.00 0.00 C ATOM 914 OH TYR A 62 7.541 -4.885 3.243 1.00 0.00 O ATOM 0 H TYR A 62 3.529 -8.719 0.418 1.00 0.00 H new ATOM 0 HA TYR A 62 3.044 -7.381 -2.138 1.00 0.00 H new ATOM 0 HB2 TYR A 62 3.457 -5.201 -1.290 1.00 0.00 H new ATOM 0 HB3 TYR A 62 2.466 -5.875 -0.011 1.00 0.00 H new ATOM 0 HD1 TYR A 62 6.010 -5.277 -0.995 1.00 0.00 H new ATOM 0 HD2 TYR A 62 3.287 -6.010 2.198 1.00 0.00 H new ATOM 0 HE1 TYR A 62 7.842 -4.796 0.687 1.00 0.00 H new ATOM 0 HE2 TYR A 62 5.127 -5.527 3.870 1.00 0.00 H new ATOM 0 HH TYR A 62 7.187 -4.981 4.152 1.00 0.00 H new ATOM 924 N GLU A 63 5.405 -7.735 -2.624 1.00 0.00 N ATOM 925 CA GLU A 63 6.781 -8.057 -2.962 1.00 0.00 C ATOM 926 C GLU A 63 7.716 -6.935 -2.507 1.00 0.00 C ATOM 927 O GLU A 63 7.604 -5.802 -2.971 1.00 0.00 O ATOM 928 CB GLU A 63 6.929 -8.319 -4.462 1.00 0.00 C ATOM 929 CG GLU A 63 6.531 -9.755 -4.810 1.00 0.00 C ATOM 930 CD GLU A 63 5.579 -9.785 -6.008 1.00 0.00 C ATOM 931 OE1 GLU A 63 4.733 -8.868 -6.083 1.00 0.00 O ATOM 932 OE2 GLU A 63 5.718 -10.724 -6.820 1.00 0.00 O ATOM 0 H GLU A 63 4.801 -7.550 -3.425 1.00 0.00 H new ATOM 0 HA GLU A 63 7.060 -8.971 -2.437 1.00 0.00 H new ATOM 0 HB2 GLU A 63 6.306 -7.620 -5.020 1.00 0.00 H new ATOM 0 HB3 GLU A 63 7.960 -8.140 -4.766 1.00 0.00 H new ATOM 0 HG2 GLU A 63 7.423 -10.339 -5.035 1.00 0.00 H new ATOM 0 HG3 GLU A 63 6.053 -10.222 -3.949 1.00 0.00 H new ATOM 939 N ASP A 64 8.618 -7.290 -1.603 1.00 0.00 N ATOM 940 CA ASP A 64 9.572 -6.327 -1.079 1.00 0.00 C ATOM 941 C ASP A 64 10.643 -6.050 -2.136 1.00 0.00 C ATOM 942 O ASP A 64 10.386 -6.175 -3.333 1.00 0.00 O ATOM 943 CB ASP A 64 10.270 -6.867 0.171 1.00 0.00 C ATOM 944 CG ASP A 64 10.640 -5.809 1.212 1.00 0.00 C ATOM 945 OD1 ASP A 64 10.276 -4.636 0.983 1.00 0.00 O ATOM 946 OD2 ASP A 64 11.277 -6.199 2.214 1.00 0.00 O ATOM 0 H ASP A 64 8.708 -8.231 -1.220 1.00 0.00 H new ATOM 0 HA ASP A 64 9.028 -5.418 -0.824 1.00 0.00 H new ATOM 0 HB2 ASP A 64 9.621 -7.606 0.641 1.00 0.00 H new ATOM 0 HB3 ASP A 64 11.178 -7.388 -0.134 1.00 0.00 H new ATOM 951 N GLU A 65 11.821 -5.679 -1.656 1.00 0.00 N ATOM 952 CA GLU A 65 12.931 -5.384 -2.545 1.00 0.00 C ATOM 953 C GLU A 65 13.463 -6.672 -3.177 1.00 0.00 C ATOM 954 O GLU A 65 13.938 -6.661 -4.311 1.00 0.00 O ATOM 955 CB GLU A 65 14.042 -4.637 -1.804 1.00 0.00 C ATOM 956 CG GLU A 65 14.867 -5.595 -0.942 1.00 0.00 C ATOM 957 CD GLU A 65 15.298 -4.924 0.364 1.00 0.00 C ATOM 958 OE1 GLU A 65 15.937 -3.854 0.268 1.00 0.00 O ATOM 959 OE2 GLU A 65 14.979 -5.497 1.428 1.00 0.00 O ATOM 0 H GLU A 65 12.031 -5.576 -0.663 1.00 0.00 H new ATOM 0 HA GLU A 65 12.570 -4.734 -3.342 1.00 0.00 H new ATOM 0 HB2 GLU A 65 14.692 -4.138 -2.523 1.00 0.00 H new ATOM 0 HB3 GLU A 65 13.606 -3.860 -1.176 1.00 0.00 H new ATOM 0 HG2 GLU A 65 14.281 -6.487 -0.721 1.00 0.00 H new ATOM 0 HG3 GLU A 65 15.748 -5.921 -1.495 1.00 0.00 H new ATOM 966 N ASP A 66 13.367 -7.751 -2.414 1.00 0.00 N ATOM 967 CA ASP A 66 13.832 -9.044 -2.885 1.00 0.00 C ATOM 968 C ASP A 66 12.676 -9.781 -3.564 1.00 0.00 C ATOM 969 O ASP A 66 12.667 -11.010 -3.622 1.00 0.00 O ATOM 970 CB ASP A 66 14.326 -9.908 -1.723 1.00 0.00 C ATOM 971 CG ASP A 66 15.846 -9.971 -1.564 1.00 0.00 C ATOM 972 OD1 ASP A 66 16.388 -9.047 -0.919 1.00 0.00 O ATOM 973 OD2 ASP A 66 16.432 -10.942 -2.090 1.00 0.00 O ATOM 0 H ASP A 66 12.974 -7.756 -1.473 1.00 0.00 H new ATOM 0 HA ASP A 66 14.652 -8.874 -3.582 1.00 0.00 H new ATOM 0 HB2 ASP A 66 13.895 -9.527 -0.798 1.00 0.00 H new ATOM 0 HB3 ASP A 66 13.948 -10.921 -1.857 1.00 0.00 H new ATOM 978 N GLY A 67 11.729 -8.999 -4.062 1.00 0.00 N ATOM 979 CA GLY A 67 10.571 -9.562 -4.735 1.00 0.00 C ATOM 980 C GLY A 67 9.934 -10.671 -3.895 1.00 0.00 C ATOM 981 O GLY A 67 9.241 -11.537 -4.427 1.00 0.00 O ATOM 0 H GLY A 67 11.740 -7.980 -4.013 1.00 0.00 H new ATOM 0 HA2 GLY A 67 9.838 -8.777 -4.923 1.00 0.00 H new ATOM 0 HA3 GLY A 67 10.868 -9.961 -5.705 1.00 0.00 H new ATOM 985 N ASP A 68 10.191 -10.609 -2.597 1.00 0.00 N ATOM 986 CA ASP A 68 9.652 -11.597 -1.678 1.00 0.00 C ATOM 987 C ASP A 68 8.295 -11.117 -1.158 1.00 0.00 C ATOM 988 O ASP A 68 8.213 -10.091 -0.485 1.00 0.00 O ATOM 989 CB ASP A 68 10.577 -11.793 -0.475 1.00 0.00 C ATOM 990 CG ASP A 68 11.647 -12.873 -0.651 1.00 0.00 C ATOM 991 OD1 ASP A 68 11.594 -13.559 -1.695 1.00 0.00 O ATOM 992 OD2 ASP A 68 12.493 -12.987 0.261 1.00 0.00 O ATOM 0 H ASP A 68 10.766 -9.889 -2.159 1.00 0.00 H new ATOM 0 HA ASP A 68 9.555 -12.540 -2.216 1.00 0.00 H new ATOM 0 HB2 ASP A 68 11.071 -10.846 -0.257 1.00 0.00 H new ATOM 0 HB3 ASP A 68 9.969 -12.043 0.395 1.00 0.00 H new ATOM 997 N ARG A 69 7.266 -11.881 -1.492 1.00 0.00 N ATOM 998 CA ARG A 69 5.917 -11.546 -1.067 1.00 0.00 C ATOM 999 C ARG A 69 5.849 -11.452 0.459 1.00 0.00 C ATOM 1000 O ARG A 69 5.761 -12.470 1.144 1.00 0.00 O ATOM 1001 CB ARG A 69 4.911 -12.593 -1.552 1.00 0.00 C ATOM 1002 CG ARG A 69 4.735 -12.521 -3.070 1.00 0.00 C ATOM 1003 CD ARG A 69 3.735 -11.428 -3.454 1.00 0.00 C ATOM 1004 NE ARG A 69 3.291 -11.619 -4.853 1.00 0.00 N ATOM 1005 CZ ARG A 69 2.480 -12.607 -5.256 1.00 0.00 C ATOM 1006 NH1 ARG A 69 2.020 -13.500 -4.369 1.00 0.00 N ATOM 1007 NH2 ARG A 69 2.129 -12.702 -6.546 1.00 0.00 N ATOM 0 H ARG A 69 7.339 -12.731 -2.052 1.00 0.00 H new ATOM 0 HA ARG A 69 5.661 -10.582 -1.506 1.00 0.00 H new ATOM 0 HB2 ARG A 69 5.252 -13.589 -1.268 1.00 0.00 H new ATOM 0 HB3 ARG A 69 3.950 -12.434 -1.063 1.00 0.00 H new ATOM 0 HG2 ARG A 69 5.697 -12.321 -3.542 1.00 0.00 H new ATOM 0 HG3 ARG A 69 4.389 -13.484 -3.446 1.00 0.00 H new ATOM 0 HD2 ARG A 69 2.876 -11.457 -2.784 1.00 0.00 H new ATOM 0 HD3 ARG A 69 4.195 -10.446 -3.340 1.00 0.00 H new ATOM 0 HE ARG A 69 3.623 -10.957 -5.554 1.00 0.00 H new ATOM 0 HH11 ARG A 69 2.287 -13.428 -3.387 1.00 0.00 H new ATOM 0 HH12 ARG A 69 1.403 -14.252 -4.676 1.00 0.00 H new ATOM 0 HH21 ARG A 69 2.479 -12.022 -7.221 1.00 0.00 H new ATOM 0 HH22 ARG A 69 1.512 -13.454 -6.853 1.00 0.00 H new ATOM 1021 N ILE A 70 5.892 -10.220 0.946 1.00 0.00 N ATOM 1022 CA ILE A 70 5.837 -9.980 2.378 1.00 0.00 C ATOM 1023 C ILE A 70 4.388 -10.102 2.855 1.00 0.00 C ATOM 1024 O ILE A 70 3.477 -10.279 2.048 1.00 0.00 O ATOM 1025 CB ILE A 70 6.486 -8.638 2.721 1.00 0.00 C ATOM 1026 CG1 ILE A 70 7.758 -8.419 1.900 1.00 0.00 C ATOM 1027 CG2 ILE A 70 6.748 -8.524 4.224 1.00 0.00 C ATOM 1028 CD1 ILE A 70 8.767 -9.544 2.139 1.00 0.00 C ATOM 0 H ILE A 70 5.964 -9.378 0.375 1.00 0.00 H new ATOM 0 HA ILE A 70 6.414 -10.733 2.914 1.00 0.00 H new ATOM 0 HB ILE A 70 5.789 -7.843 2.454 1.00 0.00 H new ATOM 0 HG12 ILE A 70 7.507 -8.370 0.840 1.00 0.00 H new ATOM 0 HG13 ILE A 70 8.206 -7.462 2.166 1.00 0.00 H new ATOM 0 HG21 ILE A 70 7.210 -7.561 4.441 1.00 0.00 H new ATOM 0 HG22 ILE A 70 5.805 -8.604 4.765 1.00 0.00 H new ATOM 0 HG23 ILE A 70 7.416 -9.326 4.539 1.00 0.00 H new ATOM 0 HD11 ILE A 70 9.662 -9.363 1.543 1.00 0.00 H new ATOM 0 HD12 ILE A 70 9.035 -9.574 3.195 1.00 0.00 H new ATOM 0 HD13 ILE A 70 8.325 -10.497 1.849 1.00 0.00 H new ATOM 1040 N THR A 71 4.220 -10.002 4.166 1.00 0.00 N ATOM 1041 CA THR A 71 2.898 -10.099 4.760 1.00 0.00 C ATOM 1042 C THR A 71 2.700 -8.997 5.803 1.00 0.00 C ATOM 1043 O THR A 71 3.557 -8.788 6.661 1.00 0.00 O ATOM 1044 CB THR A 71 2.737 -11.510 5.329 1.00 0.00 C ATOM 1045 OG1 THR A 71 2.787 -12.354 4.182 1.00 0.00 O ATOM 1046 CG2 THR A 71 1.343 -11.752 5.910 1.00 0.00 C ATOM 0 H THR A 71 4.978 -9.855 4.833 1.00 0.00 H new ATOM 0 HA THR A 71 2.118 -9.943 4.015 1.00 0.00 H new ATOM 0 HB THR A 71 3.486 -11.677 6.103 1.00 0.00 H new ATOM 0 HG1 THR A 71 2.691 -13.289 4.459 1.00 0.00 H new ATOM 0 HG21 THR A 71 1.283 -12.768 6.300 1.00 0.00 H new ATOM 0 HG22 THR A 71 1.157 -11.042 6.716 1.00 0.00 H new ATOM 0 HG23 THR A 71 0.595 -11.618 5.129 1.00 0.00 H new ATOM 1054 N VAL A 72 1.566 -8.321 5.696 1.00 0.00 N ATOM 1055 CA VAL A 72 1.245 -7.246 6.619 1.00 0.00 C ATOM 1056 C VAL A 72 0.021 -7.641 7.449 1.00 0.00 C ATOM 1057 O VAL A 72 -1.104 -7.621 6.951 1.00 0.00 O ATOM 1058 CB VAL A 72 1.049 -5.938 5.851 1.00 0.00 C ATOM 1059 CG1 VAL A 72 0.721 -4.786 6.804 1.00 0.00 C ATOM 1060 CG2 VAL A 72 2.278 -5.612 5.001 1.00 0.00 C ATOM 0 H VAL A 72 0.858 -8.497 4.984 1.00 0.00 H new ATOM 0 HA VAL A 72 2.069 -7.080 7.313 1.00 0.00 H new ATOM 0 HB VAL A 72 0.201 -6.069 5.179 1.00 0.00 H new ATOM 0 HG11 VAL A 72 0.587 -3.868 6.232 1.00 0.00 H new ATOM 0 HG12 VAL A 72 -0.196 -5.013 7.347 1.00 0.00 H new ATOM 0 HG13 VAL A 72 1.539 -4.656 7.512 1.00 0.00 H new ATOM 0 HG21 VAL A 72 2.112 -4.677 4.465 1.00 0.00 H new ATOM 0 HG22 VAL A 72 3.150 -5.511 5.647 1.00 0.00 H new ATOM 0 HG23 VAL A 72 2.448 -6.416 4.284 1.00 0.00 H new ATOM 1070 N ARG A 73 0.282 -7.991 8.700 1.00 0.00 N ATOM 1071 CA ARG A 73 -0.784 -8.389 9.604 1.00 0.00 C ATOM 1072 C ARG A 73 -0.914 -7.382 10.748 1.00 0.00 C ATOM 1073 O ARG A 73 -1.560 -7.663 11.757 1.00 0.00 O ATOM 1074 CB ARG A 73 -0.522 -9.780 10.185 1.00 0.00 C ATOM 1075 CG ARG A 73 -0.593 -10.852 9.095 1.00 0.00 C ATOM 1076 CD ARG A 73 -1.299 -12.109 9.607 1.00 0.00 C ATOM 1077 NE ARG A 73 -0.346 -13.239 9.661 1.00 0.00 N ATOM 1078 CZ ARG A 73 0.491 -13.468 10.682 1.00 0.00 C ATOM 1079 NH1 ARG A 73 0.498 -12.646 11.740 1.00 0.00 N ATOM 1080 NH2 ARG A 73 1.322 -14.518 10.645 1.00 0.00 N ATOM 0 H ARG A 73 1.216 -8.007 9.109 1.00 0.00 H new ATOM 0 HA ARG A 73 -1.711 -8.415 9.032 1.00 0.00 H new ATOM 0 HB2 ARG A 73 0.460 -9.801 10.658 1.00 0.00 H new ATOM 0 HB3 ARG A 73 -1.255 -9.997 10.962 1.00 0.00 H new ATOM 0 HG2 ARG A 73 -1.125 -10.460 8.228 1.00 0.00 H new ATOM 0 HG3 ARG A 73 0.414 -11.106 8.763 1.00 0.00 H new ATOM 0 HD2 ARG A 73 -1.714 -11.925 10.598 1.00 0.00 H new ATOM 0 HD3 ARG A 73 -2.135 -12.358 8.953 1.00 0.00 H new ATOM 0 HE ARG A 73 -0.325 -13.884 8.871 1.00 0.00 H new ATOM 0 HH11 ARG A 73 -0.134 -11.846 11.768 1.00 0.00 H new ATOM 0 HH12 ARG A 73 1.135 -12.820 12.517 1.00 0.00 H new ATOM 0 HH21 ARG A 73 1.318 -15.144 9.839 1.00 0.00 H new ATOM 0 HH22 ARG A 73 1.959 -14.692 11.422 1.00 0.00 H new ATOM 1094 N SER A 74 -0.290 -6.230 10.554 1.00 0.00 N ATOM 1095 CA SER A 74 -0.327 -5.180 11.557 1.00 0.00 C ATOM 1096 C SER A 74 0.229 -3.879 10.974 1.00 0.00 C ATOM 1097 O SER A 74 0.925 -3.896 9.960 1.00 0.00 O ATOM 1098 CB SER A 74 0.461 -5.582 12.805 1.00 0.00 C ATOM 1099 OG SER A 74 1.824 -5.868 12.507 1.00 0.00 O ATOM 0 H SER A 74 0.245 -6.000 9.716 1.00 0.00 H new ATOM 0 HA SER A 74 -1.365 -5.024 11.851 1.00 0.00 H new ATOM 0 HB2 SER A 74 0.412 -4.778 13.539 1.00 0.00 H new ATOM 0 HB3 SER A 74 -0.002 -6.458 13.260 1.00 0.00 H new ATOM 0 HG SER A 74 2.293 -6.119 13.330 1.00 0.00 H new ATOM 1105 N ASP A 75 -0.099 -2.782 11.641 1.00 0.00 N ATOM 1106 CA ASP A 75 0.359 -1.474 11.202 1.00 0.00 C ATOM 1107 C ASP A 75 1.881 -1.499 11.043 1.00 0.00 C ATOM 1108 O ASP A 75 2.413 -1.003 10.052 1.00 0.00 O ATOM 1109 CB ASP A 75 0.007 -0.395 12.227 1.00 0.00 C ATOM 1110 CG ASP A 75 -1.388 -0.516 12.842 1.00 0.00 C ATOM 1111 OD1 ASP A 75 -2.217 -1.226 12.232 1.00 0.00 O ATOM 1112 OD2 ASP A 75 -1.595 0.102 13.908 1.00 0.00 O ATOM 0 H ASP A 75 -0.676 -2.772 12.482 1.00 0.00 H new ATOM 0 HA ASP A 75 -0.131 -1.245 10.256 1.00 0.00 H new ATOM 0 HB2 ASP A 75 0.745 -0.423 13.029 1.00 0.00 H new ATOM 0 HB3 ASP A 75 0.093 0.581 11.749 1.00 0.00 H new ATOM 1117 N GLU A 76 2.538 -2.080 12.036 1.00 0.00 N ATOM 1118 CA GLU A 76 3.987 -2.176 12.020 1.00 0.00 C ATOM 1119 C GLU A 76 4.474 -2.619 10.638 1.00 0.00 C ATOM 1120 O GLU A 76 5.280 -1.933 10.011 1.00 0.00 O ATOM 1121 CB GLU A 76 4.487 -3.127 13.108 1.00 0.00 C ATOM 1122 CG GLU A 76 5.735 -2.569 13.794 1.00 0.00 C ATOM 1123 CD GLU A 76 5.911 -3.172 15.189 1.00 0.00 C ATOM 1124 OE1 GLU A 76 5.249 -2.658 16.117 1.00 0.00 O ATOM 1125 OE2 GLU A 76 6.702 -4.133 15.297 1.00 0.00 O ATOM 0 H GLU A 76 2.093 -2.489 12.857 1.00 0.00 H new ATOM 0 HA GLU A 76 4.399 -1.189 12.230 1.00 0.00 H new ATOM 0 HB2 GLU A 76 3.701 -3.285 13.847 1.00 0.00 H new ATOM 0 HB3 GLU A 76 4.713 -4.099 12.670 1.00 0.00 H new ATOM 0 HG2 GLU A 76 6.615 -2.784 13.187 1.00 0.00 H new ATOM 0 HG3 GLU A 76 5.658 -1.484 13.870 1.00 0.00 H new ATOM 1132 N GLU A 77 3.965 -3.763 10.206 1.00 0.00 N ATOM 1133 CA GLU A 77 4.338 -4.306 8.910 1.00 0.00 C ATOM 1134 C GLU A 77 4.080 -3.275 7.809 1.00 0.00 C ATOM 1135 O GLU A 77 4.899 -3.108 6.907 1.00 0.00 O ATOM 1136 CB GLU A 77 3.591 -5.610 8.627 1.00 0.00 C ATOM 1137 CG GLU A 77 4.260 -6.790 9.334 1.00 0.00 C ATOM 1138 CD GLU A 77 4.949 -6.338 10.623 1.00 0.00 C ATOM 1139 OE1 GLU A 77 4.211 -6.030 11.583 1.00 0.00 O ATOM 1140 OE2 GLU A 77 6.199 -6.311 10.619 1.00 0.00 O ATOM 0 H GLU A 77 3.298 -4.329 10.730 1.00 0.00 H new ATOM 0 HA GLU A 77 5.404 -4.533 8.925 1.00 0.00 H new ATOM 0 HB2 GLU A 77 2.557 -5.521 8.960 1.00 0.00 H new ATOM 0 HB3 GLU A 77 3.565 -5.792 7.553 1.00 0.00 H new ATOM 0 HG2 GLU A 77 3.514 -7.551 9.564 1.00 0.00 H new ATOM 0 HG3 GLU A 77 4.991 -7.250 8.669 1.00 0.00 H new ATOM 1147 N MET A 78 2.938 -2.612 7.919 1.00 0.00 N ATOM 1148 CA MET A 78 2.562 -1.603 6.944 1.00 0.00 C ATOM 1149 C MET A 78 3.661 -0.548 6.794 1.00 0.00 C ATOM 1150 O MET A 78 4.260 -0.417 5.728 1.00 0.00 O ATOM 1151 CB MET A 78 1.262 -0.927 7.383 1.00 0.00 C ATOM 1152 CG MET A 78 0.122 -1.250 6.416 1.00 0.00 C ATOM 1153 SD MET A 78 0.024 0.003 5.148 1.00 0.00 S ATOM 1154 CE MET A 78 -1.025 1.192 5.968 1.00 0.00 C ATOM 0 H MET A 78 2.261 -2.754 8.669 1.00 0.00 H new ATOM 0 HA MET A 78 2.420 -2.092 5.980 1.00 0.00 H new ATOM 0 HB2 MET A 78 0.997 -1.258 8.387 1.00 0.00 H new ATOM 0 HB3 MET A 78 1.408 0.152 7.432 1.00 0.00 H new ATOM 0 HG2 MET A 78 0.285 -2.227 5.961 1.00 0.00 H new ATOM 0 HG3 MET A 78 -0.822 -1.305 6.959 1.00 0.00 H new ATOM 0 HE1 MET A 78 -0.757 2.198 5.644 1.00 0.00 H new ATOM 0 HE2 MET A 78 -2.067 0.994 5.715 1.00 0.00 H new ATOM 0 HE3 MET A 78 -0.893 1.111 7.047 1.00 0.00 H new ATOM 1164 N LYS A 79 3.893 0.177 7.879 1.00 0.00 N ATOM 1165 CA LYS A 79 4.909 1.215 7.882 1.00 0.00 C ATOM 1166 C LYS A 79 6.167 0.694 7.186 1.00 0.00 C ATOM 1167 O LYS A 79 6.835 1.434 6.465 1.00 0.00 O ATOM 1168 CB LYS A 79 5.157 1.718 9.306 1.00 0.00 C ATOM 1169 CG LYS A 79 4.046 2.671 9.752 1.00 0.00 C ATOM 1170 CD LYS A 79 4.624 4.018 10.192 1.00 0.00 C ATOM 1171 CE LYS A 79 5.016 3.989 11.670 1.00 0.00 C ATOM 1172 NZ LYS A 79 6.154 4.902 11.922 1.00 0.00 N ATOM 0 H LYS A 79 3.394 0.066 8.762 1.00 0.00 H new ATOM 0 HA LYS A 79 4.568 2.083 7.317 1.00 0.00 H new ATOM 0 HB2 LYS A 79 5.211 0.871 9.990 1.00 0.00 H new ATOM 0 HB3 LYS A 79 6.119 2.228 9.353 1.00 0.00 H new ATOM 0 HG2 LYS A 79 3.342 2.823 8.934 1.00 0.00 H new ATOM 0 HG3 LYS A 79 3.487 2.225 10.575 1.00 0.00 H new ATOM 0 HD2 LYS A 79 5.497 4.259 9.585 1.00 0.00 H new ATOM 0 HD3 LYS A 79 3.890 4.806 10.022 1.00 0.00 H new ATOM 0 HE2 LYS A 79 4.164 4.282 12.284 1.00 0.00 H new ATOM 0 HE3 LYS A 79 5.285 2.974 11.961 1.00 0.00 H new ATOM 0 HZ1 LYS A 79 6.408 4.871 12.930 1.00 0.00 H new ATOM 0 HZ2 LYS A 79 6.970 4.605 11.350 1.00 0.00 H new ATOM 0 HZ3 LYS A 79 5.884 5.872 11.663 1.00 0.00 H new ATOM 1186 N ALA A 80 6.454 -0.578 7.425 1.00 0.00 N ATOM 1187 CA ALA A 80 7.620 -1.207 6.830 1.00 0.00 C ATOM 1188 C ALA A 80 7.427 -1.300 5.315 1.00 0.00 C ATOM 1189 O ALA A 80 8.282 -0.858 4.549 1.00 0.00 O ATOM 1190 CB ALA A 80 7.846 -2.576 7.474 1.00 0.00 C ATOM 0 H ALA A 80 5.898 -1.190 8.023 1.00 0.00 H new ATOM 0 HA ALA A 80 8.513 -0.609 7.012 1.00 0.00 H new ATOM 0 HB1 ALA A 80 8.721 -3.048 7.027 1.00 0.00 H new ATOM 0 HB2 ALA A 80 8.007 -2.452 8.545 1.00 0.00 H new ATOM 0 HB3 ALA A 80 6.971 -3.205 7.309 1.00 0.00 H new ATOM 1196 N MET A 81 6.299 -1.877 4.929 1.00 0.00 N ATOM 1197 CA MET A 81 5.983 -2.034 3.519 1.00 0.00 C ATOM 1198 C MET A 81 6.091 -0.698 2.782 1.00 0.00 C ATOM 1199 O MET A 81 6.559 -0.649 1.645 1.00 0.00 O ATOM 1200 CB MET A 81 4.563 -2.585 3.373 1.00 0.00 C ATOM 1201 CG MET A 81 4.181 -2.729 1.898 1.00 0.00 C ATOM 1202 SD MET A 81 2.467 -3.208 1.756 1.00 0.00 S ATOM 1203 CE MET A 81 1.679 -1.651 2.130 1.00 0.00 C ATOM 0 H MET A 81 5.592 -2.242 5.568 1.00 0.00 H new ATOM 0 HA MET A 81 6.699 -2.729 3.080 1.00 0.00 H new ATOM 0 HB2 MET A 81 4.492 -3.554 3.867 1.00 0.00 H new ATOM 0 HB3 MET A 81 3.858 -1.920 3.872 1.00 0.00 H new ATOM 0 HG2 MET A 81 4.348 -1.786 1.377 1.00 0.00 H new ATOM 0 HG3 MET A 81 4.816 -3.475 1.420 1.00 0.00 H new ATOM 0 HE1 MET A 81 1.146 -1.731 3.077 1.00 0.00 H new ATOM 0 HE2 MET A 81 2.435 -0.869 2.204 1.00 0.00 H new ATOM 0 HE3 MET A 81 0.974 -1.400 1.337 1.00 0.00 H new ATOM 1213 N LEU A 82 5.652 0.353 3.458 1.00 0.00 N ATOM 1214 CA LEU A 82 5.694 1.686 2.881 1.00 0.00 C ATOM 1215 C LEU A 82 7.123 2.226 2.959 1.00 0.00 C ATOM 1216 O LEU A 82 7.596 2.877 2.029 1.00 0.00 O ATOM 1217 CB LEU A 82 4.657 2.592 3.549 1.00 0.00 C ATOM 1218 CG LEU A 82 3.199 2.343 3.158 1.00 0.00 C ATOM 1219 CD1 LEU A 82 2.259 2.648 4.326 1.00 0.00 C ATOM 1220 CD2 LEU A 82 2.826 3.132 1.902 1.00 0.00 C ATOM 0 H LEU A 82 5.265 0.309 4.401 1.00 0.00 H new ATOM 0 HA LEU A 82 5.422 1.653 1.826 1.00 0.00 H new ATOM 0 HB2 LEU A 82 4.747 2.479 4.629 1.00 0.00 H new ATOM 0 HB3 LEU A 82 4.904 3.628 3.315 1.00 0.00 H new ATOM 0 HG LEU A 82 3.085 1.285 2.920 1.00 0.00 H new ATOM 0 HD11 LEU A 82 1.229 2.463 4.022 1.00 0.00 H new ATOM 0 HD12 LEU A 82 2.509 2.006 5.171 1.00 0.00 H new ATOM 0 HD13 LEU A 82 2.369 3.692 4.618 1.00 0.00 H new ATOM 0 HD21 LEU A 82 1.785 2.937 1.646 1.00 0.00 H new ATOM 0 HD22 LEU A 82 2.961 4.197 2.088 1.00 0.00 H new ATOM 0 HD23 LEU A 82 3.467 2.824 1.075 1.00 0.00 H new ATOM 1232 N SER A 83 7.772 1.935 4.077 1.00 0.00 N ATOM 1233 CA SER A 83 9.137 2.384 4.289 1.00 0.00 C ATOM 1234 C SER A 83 10.047 1.823 3.193 1.00 0.00 C ATOM 1235 O SER A 83 11.102 2.389 2.908 1.00 0.00 O ATOM 1236 CB SER A 83 9.648 1.964 5.669 1.00 0.00 C ATOM 1237 OG SER A 83 9.288 2.903 6.679 1.00 0.00 O ATOM 0 H SER A 83 7.377 1.393 4.846 1.00 0.00 H new ATOM 0 HA SER A 83 9.150 3.473 4.243 1.00 0.00 H new ATOM 0 HB2 SER A 83 9.243 0.985 5.923 1.00 0.00 H new ATOM 0 HB3 SER A 83 10.733 1.862 5.639 1.00 0.00 H new ATOM 0 HG SER A 83 8.366 2.737 6.967 1.00 0.00 H new ATOM 1243 N TYR A 84 9.606 0.719 2.610 1.00 0.00 N ATOM 1244 CA TYR A 84 10.368 0.076 1.552 1.00 0.00 C ATOM 1245 C TYR A 84 10.036 0.686 0.189 1.00 0.00 C ATOM 1246 O TYR A 84 10.903 1.267 -0.463 1.00 0.00 O ATOM 1247 CB TYR A 84 9.940 -1.393 1.558 1.00 0.00 C ATOM 1248 CG TYR A 84 9.748 -1.991 0.163 1.00 0.00 C ATOM 1249 CD1 TYR A 84 10.730 -1.838 -0.795 1.00 0.00 C ATOM 1250 CD2 TYR A 84 8.592 -2.682 -0.139 1.00 0.00 C ATOM 1251 CE1 TYR A 84 10.550 -2.400 -2.108 1.00 0.00 C ATOM 1252 CE2 TYR A 84 8.412 -3.244 -1.452 1.00 0.00 C ATOM 1253 CZ TYR A 84 9.399 -3.076 -2.372 1.00 0.00 C ATOM 1254 OH TYR A 84 9.228 -3.607 -3.612 1.00 0.00 O ATOM 0 H TYR A 84 8.731 0.253 2.849 1.00 0.00 H new ATOM 0 HA TYR A 84 11.438 0.201 1.719 1.00 0.00 H new ATOM 0 HB2 TYR A 84 10.689 -1.977 2.092 1.00 0.00 H new ATOM 0 HB3 TYR A 84 9.007 -1.487 2.114 1.00 0.00 H new ATOM 0 HD1 TYR A 84 11.634 -1.296 -0.559 1.00 0.00 H new ATOM 0 HD2 TYR A 84 7.823 -2.801 0.610 1.00 0.00 H new ATOM 0 HE1 TYR A 84 11.311 -2.288 -2.866 1.00 0.00 H new ATOM 0 HE2 TYR A 84 7.512 -3.787 -1.701 1.00 0.00 H new ATOM 0 HH TYR A 84 8.665 -4.407 -3.551 1.00 0.00 H new ATOM 1264 N TYR A 85 8.779 0.533 -0.202 1.00 0.00 N ATOM 1265 CA TYR A 85 8.323 1.062 -1.476 1.00 0.00 C ATOM 1266 C TYR A 85 8.963 2.420 -1.768 1.00 0.00 C ATOM 1267 O TYR A 85 9.389 2.681 -2.891 1.00 0.00 O ATOM 1268 CB TYR A 85 6.810 1.244 -1.339 1.00 0.00 C ATOM 1269 CG TYR A 85 6.119 1.701 -2.625 1.00 0.00 C ATOM 1270 CD1 TYR A 85 5.971 0.823 -3.679 1.00 0.00 C ATOM 1271 CD2 TYR A 85 5.644 2.993 -2.731 1.00 0.00 C ATOM 1272 CE1 TYR A 85 5.321 1.253 -4.890 1.00 0.00 C ATOM 1273 CE2 TYR A 85 4.993 3.423 -3.942 1.00 0.00 C ATOM 1274 CZ TYR A 85 4.864 2.532 -4.961 1.00 0.00 C ATOM 1275 OH TYR A 85 4.250 2.939 -6.105 1.00 0.00 O ATOM 0 H TYR A 85 8.063 0.051 0.341 1.00 0.00 H new ATOM 0 HA TYR A 85 8.592 0.388 -2.289 1.00 0.00 H new ATOM 0 HB2 TYR A 85 6.369 0.301 -1.017 1.00 0.00 H new ATOM 0 HB3 TYR A 85 6.612 1.973 -0.553 1.00 0.00 H new ATOM 0 HD1 TYR A 85 6.343 -0.188 -3.596 1.00 0.00 H new ATOM 0 HD2 TYR A 85 5.760 3.681 -1.907 1.00 0.00 H new ATOM 0 HE1 TYR A 85 5.199 0.576 -5.722 1.00 0.00 H new ATOM 0 HE2 TYR A 85 4.616 4.430 -4.038 1.00 0.00 H new ATOM 0 HH TYR A 85 4.734 2.585 -6.880 1.00 0.00 H new ATOM 1285 N TYR A 86 9.011 3.250 -0.735 1.00 0.00 N ATOM 1286 CA TYR A 86 9.593 4.575 -0.867 1.00 0.00 C ATOM 1287 C TYR A 86 11.114 4.494 -1.008 1.00 0.00 C ATOM 1288 O TYR A 86 11.703 5.195 -1.829 1.00 0.00 O ATOM 1289 CB TYR A 86 9.251 5.315 0.428 1.00 0.00 C ATOM 1290 CG TYR A 86 7.749 5.441 0.695 1.00 0.00 C ATOM 1291 CD1 TYR A 86 6.858 5.435 -0.359 1.00 0.00 C ATOM 1292 CD2 TYR A 86 7.287 5.561 1.989 1.00 0.00 C ATOM 1293 CE1 TYR A 86 5.445 5.554 -0.108 1.00 0.00 C ATOM 1294 CE2 TYR A 86 5.874 5.680 2.241 1.00 0.00 C ATOM 1295 CZ TYR A 86 5.023 5.670 1.180 1.00 0.00 C ATOM 1296 OH TYR A 86 3.688 5.782 1.417 1.00 0.00 O ATOM 0 H TYR A 86 8.657 3.030 0.196 1.00 0.00 H new ATOM 0 HA TYR A 86 9.205 5.079 -1.752 1.00 0.00 H new ATOM 0 HB2 TYR A 86 9.716 4.795 1.265 1.00 0.00 H new ATOM 0 HB3 TYR A 86 9.688 6.313 0.390 1.00 0.00 H new ATOM 0 HD1 TYR A 86 7.220 5.341 -1.372 1.00 0.00 H new ATOM 0 HD2 TYR A 86 7.985 5.566 2.813 1.00 0.00 H new ATOM 0 HE1 TYR A 86 4.737 5.551 -0.923 1.00 0.00 H new ATOM 0 HE2 TYR A 86 5.499 5.775 3.249 1.00 0.00 H new ATOM 0 HH TYR A 86 3.225 6.001 0.582 1.00 0.00 H new ATOM 1306 N SER A 87 11.707 3.634 -0.193 1.00 0.00 N ATOM 1307 CA SER A 87 13.149 3.453 -0.217 1.00 0.00 C ATOM 1308 C SER A 87 13.598 3.015 -1.612 1.00 0.00 C ATOM 1309 O SER A 87 14.695 3.358 -2.051 1.00 0.00 O ATOM 1310 CB SER A 87 13.592 2.428 0.829 1.00 0.00 C ATOM 1311 OG SER A 87 14.570 2.962 1.718 1.00 0.00 O ATOM 0 H SER A 87 11.216 3.055 0.488 1.00 0.00 H new ATOM 0 HA SER A 87 13.618 4.407 0.026 1.00 0.00 H new ATOM 0 HB2 SER A 87 12.726 2.095 1.401 1.00 0.00 H new ATOM 0 HB3 SER A 87 13.999 1.550 0.327 1.00 0.00 H new ATOM 0 HG SER A 87 14.826 2.278 2.372 1.00 0.00 H new ATOM 1317 N THR A 88 12.728 2.265 -2.271 1.00 0.00 N ATOM 1318 CA THR A 88 13.021 1.777 -3.608 1.00 0.00 C ATOM 1319 C THR A 88 12.491 2.752 -4.661 1.00 0.00 C ATOM 1320 O THR A 88 13.173 3.045 -5.641 1.00 0.00 O ATOM 1321 CB THR A 88 12.438 0.368 -3.736 1.00 0.00 C ATOM 1322 OG1 THR A 88 13.430 -0.354 -4.460 1.00 0.00 O ATOM 1323 CG2 THR A 88 11.208 0.324 -4.646 1.00 0.00 C ATOM 0 H THR A 88 11.819 1.983 -1.904 1.00 0.00 H new ATOM 0 HA THR A 88 14.096 1.716 -3.779 1.00 0.00 H new ATOM 0 HB THR A 88 12.172 -0.006 -2.747 1.00 0.00 H new ATOM 0 HG1 THR A 88 13.134 -1.280 -4.586 1.00 0.00 H new ATOM 0 HG21 THR A 88 10.834 -0.698 -4.703 1.00 0.00 H new ATOM 0 HG22 THR A 88 10.432 0.973 -4.240 1.00 0.00 H new ATOM 0 HG23 THR A 88 11.481 0.666 -5.644 1.00 0.00 H new ATOM 1331 N VAL A 89 11.278 3.229 -4.422 1.00 0.00 N ATOM 1332 CA VAL A 89 10.648 4.165 -5.337 1.00 0.00 C ATOM 1333 C VAL A 89 11.591 5.344 -5.583 1.00 0.00 C ATOM 1334 O VAL A 89 11.922 5.651 -6.727 1.00 0.00 O ATOM 1335 CB VAL A 89 9.285 4.594 -4.790 1.00 0.00 C ATOM 1336 CG1 VAL A 89 8.861 5.944 -5.372 1.00 0.00 C ATOM 1337 CG2 VAL A 89 8.224 3.524 -5.058 1.00 0.00 C ATOM 0 H VAL A 89 10.715 2.984 -3.607 1.00 0.00 H new ATOM 0 HA VAL A 89 10.462 3.691 -6.301 1.00 0.00 H new ATOM 0 HB VAL A 89 9.379 4.709 -3.710 1.00 0.00 H new ATOM 0 HG11 VAL A 89 7.889 6.226 -4.967 1.00 0.00 H new ATOM 0 HG12 VAL A 89 9.598 6.702 -5.107 1.00 0.00 H new ATOM 0 HG13 VAL A 89 8.793 5.867 -6.457 1.00 0.00 H new ATOM 0 HG21 VAL A 89 7.265 3.855 -4.659 1.00 0.00 H new ATOM 0 HG22 VAL A 89 8.134 3.362 -6.132 1.00 0.00 H new ATOM 0 HG23 VAL A 89 8.517 2.592 -4.574 1.00 0.00 H new ATOM 1347 N MET A 90 11.998 5.973 -4.490 1.00 0.00 N ATOM 1348 CA MET A 90 12.897 7.111 -4.573 1.00 0.00 C ATOM 1349 C MET A 90 14.145 6.766 -5.388 1.00 0.00 C ATOM 1350 O MET A 90 14.737 7.638 -6.023 1.00 0.00 O ATOM 1351 CB MET A 90 13.310 7.540 -3.163 1.00 0.00 C ATOM 1352 CG MET A 90 14.487 6.702 -2.658 1.00 0.00 C ATOM 1353 SD MET A 90 16.028 7.450 -3.157 1.00 0.00 S ATOM 1354 CE MET A 90 16.984 7.214 -1.668 1.00 0.00 C ATOM 0 H MET A 90 11.722 5.716 -3.542 1.00 0.00 H new ATOM 0 HA MET A 90 12.374 7.927 -5.072 1.00 0.00 H new ATOM 0 HB2 MET A 90 13.585 8.595 -3.166 1.00 0.00 H new ATOM 0 HB3 MET A 90 12.464 7.432 -2.484 1.00 0.00 H new ATOM 0 HG2 MET A 90 14.447 6.622 -1.572 1.00 0.00 H new ATOM 0 HG3 MET A 90 14.420 5.689 -3.055 1.00 0.00 H new ATOM 0 HE1 MET A 90 17.983 7.627 -1.808 1.00 0.00 H new ATOM 0 HE2 MET A 90 16.494 7.721 -0.837 1.00 0.00 H new ATOM 0 HE3 MET A 90 17.059 6.149 -1.449 1.00 0.00 H new ATOM 1364 N GLU A 91 14.509 5.493 -5.344 1.00 0.00 N ATOM 1365 CA GLU A 91 15.675 5.022 -6.070 1.00 0.00 C ATOM 1366 C GLU A 91 15.360 4.906 -7.563 1.00 0.00 C ATOM 1367 O GLU A 91 16.252 5.030 -8.401 1.00 0.00 O ATOM 1368 CB GLU A 91 16.169 3.687 -5.509 1.00 0.00 C ATOM 1369 CG GLU A 91 17.108 3.905 -4.321 1.00 0.00 C ATOM 1370 CD GLU A 91 18.451 4.474 -4.781 1.00 0.00 C ATOM 1371 OE1 GLU A 91 18.536 5.717 -4.882 1.00 0.00 O ATOM 1372 OE2 GLU A 91 19.363 3.653 -5.022 1.00 0.00 O ATOM 0 H GLU A 91 14.016 4.773 -4.816 1.00 0.00 H new ATOM 0 HA GLU A 91 16.476 5.750 -5.943 1.00 0.00 H new ATOM 0 HB2 GLU A 91 15.317 3.082 -5.198 1.00 0.00 H new ATOM 0 HB3 GLU A 91 16.687 3.130 -6.289 1.00 0.00 H new ATOM 0 HG2 GLU A 91 16.645 4.587 -3.608 1.00 0.00 H new ATOM 0 HG3 GLU A 91 17.268 2.960 -3.801 1.00 0.00 H new ATOM 1379 N GLN A 92 14.089 4.670 -7.850 1.00 0.00 N ATOM 1380 CA GLN A 92 13.645 4.537 -9.227 1.00 0.00 C ATOM 1381 C GLN A 92 13.566 5.911 -9.895 1.00 0.00 C ATOM 1382 O GLN A 92 13.694 6.021 -11.114 1.00 0.00 O ATOM 1383 CB GLN A 92 12.299 3.812 -9.302 1.00 0.00 C ATOM 1384 CG GLN A 92 12.488 2.296 -9.240 1.00 0.00 C ATOM 1385 CD GLN A 92 11.749 1.603 -10.387 1.00 0.00 C ATOM 1386 OE1 GLN A 92 12.337 1.153 -11.357 1.00 0.00 O ATOM 1387 NE2 GLN A 92 10.431 1.544 -10.223 1.00 0.00 N ATOM 0 H GLN A 92 13.352 4.567 -7.152 1.00 0.00 H new ATOM 0 HA GLN A 92 14.375 3.934 -9.767 1.00 0.00 H new ATOM 0 HB2 GLN A 92 11.661 4.136 -8.480 1.00 0.00 H new ATOM 0 HB3 GLN A 92 11.788 4.081 -10.227 1.00 0.00 H new ATOM 0 HG2 GLN A 92 13.550 2.056 -9.290 1.00 0.00 H new ATOM 0 HG3 GLN A 92 12.120 1.919 -8.286 1.00 0.00 H new ATOM 0 HE21 GLN A 92 10.003 1.941 -9.387 1.00 0.00 H new ATOM 0 HE22 GLN A 92 9.848 1.102 -10.934 1.00 0.00 H new ATOM 1396 N GLN A 93 13.355 6.924 -9.068 1.00 0.00 N ATOM 1397 CA GLN A 93 13.257 8.287 -9.564 1.00 0.00 C ATOM 1398 C GLN A 93 14.652 8.853 -9.838 1.00 0.00 C ATOM 1399 O GLN A 93 14.896 9.423 -10.901 1.00 0.00 O ATOM 1400 CB GLN A 93 12.489 9.173 -8.581 1.00 0.00 C ATOM 1401 CG GLN A 93 11.108 8.589 -8.279 1.00 0.00 C ATOM 1402 CD GLN A 93 10.062 9.697 -8.141 1.00 0.00 C ATOM 1403 OE1 GLN A 93 10.095 10.707 -8.826 1.00 0.00 O ATOM 1404 NE2 GLN A 93 9.134 9.454 -7.220 1.00 0.00 N ATOM 0 H GLN A 93 13.249 6.829 -8.058 1.00 0.00 H new ATOM 0 HA GLN A 93 12.701 8.274 -10.501 1.00 0.00 H new ATOM 0 HB2 GLN A 93 13.056 9.272 -7.655 1.00 0.00 H new ATOM 0 HB3 GLN A 93 12.381 10.175 -8.997 1.00 0.00 H new ATOM 0 HG2 GLN A 93 10.816 7.906 -9.076 1.00 0.00 H new ATOM 0 HG3 GLN A 93 11.149 8.006 -7.359 1.00 0.00 H new ATOM 0 HE21 GLN A 93 9.164 8.588 -6.681 1.00 0.00 H new ATOM 0 HE22 GLN A 93 8.392 10.133 -7.052 1.00 0.00 H new ATOM 1413 N VAL A 94 15.530 8.676 -8.863 1.00 0.00 N ATOM 1414 CA VAL A 94 16.894 9.162 -8.986 1.00 0.00 C ATOM 1415 C VAL A 94 17.545 8.533 -10.220 1.00 0.00 C ATOM 1416 O VAL A 94 18.443 9.122 -10.820 1.00 0.00 O ATOM 1417 CB VAL A 94 17.667 8.884 -7.696 1.00 0.00 C ATOM 1418 CG1 VAL A 94 16.854 9.301 -6.469 1.00 0.00 C ATOM 1419 CG2 VAL A 94 18.078 7.413 -7.608 1.00 0.00 C ATOM 0 H VAL A 94 15.324 8.202 -7.983 1.00 0.00 H new ATOM 0 HA VAL A 94 16.903 10.243 -9.128 1.00 0.00 H new ATOM 0 HB VAL A 94 18.577 9.484 -7.715 1.00 0.00 H new ATOM 0 HG11 VAL A 94 17.427 9.093 -5.565 1.00 0.00 H new ATOM 0 HG12 VAL A 94 16.636 10.368 -6.522 1.00 0.00 H new ATOM 0 HG13 VAL A 94 15.920 8.740 -6.444 1.00 0.00 H new ATOM 0 HG21 VAL A 94 18.626 7.243 -6.681 1.00 0.00 H new ATOM 0 HG22 VAL A 94 17.187 6.785 -7.623 1.00 0.00 H new ATOM 0 HG23 VAL A 94 18.714 7.161 -8.457 1.00 0.00 H new ATOM 1429 N ASN A 95 17.067 7.346 -10.562 1.00 0.00 N ATOM 1430 CA ASN A 95 17.591 6.631 -11.713 1.00 0.00 C ATOM 1431 C ASN A 95 16.961 7.196 -12.989 1.00 0.00 C ATOM 1432 O ASN A 95 17.665 7.699 -13.863 1.00 0.00 O ATOM 1433 CB ASN A 95 17.252 5.141 -11.638 1.00 0.00 C ATOM 1434 CG ASN A 95 18.492 4.313 -11.296 1.00 0.00 C ATOM 1435 OD1 ASN A 95 19.014 3.565 -12.106 1.00 0.00 O ATOM 1436 ND2 ASN A 95 18.933 4.488 -10.053 1.00 0.00 N ATOM 0 H ASN A 95 16.322 6.861 -10.062 1.00 0.00 H new ATOM 0 HA ASN A 95 18.674 6.754 -11.722 1.00 0.00 H new ATOM 0 HB2 ASN A 95 16.482 4.977 -10.884 1.00 0.00 H new ATOM 0 HB3 ASN A 95 16.841 4.810 -12.591 1.00 0.00 H new ATOM 0 HD21 ASN A 95 19.755 3.980 -9.727 1.00 0.00 H new ATOM 0 HD22 ASN A 95 18.449 5.130 -9.426 1.00 0.00 H new ATOM 1443 N GLY A 96 15.642 7.093 -13.054 1.00 0.00 N ATOM 1444 CA GLY A 96 14.909 7.587 -14.208 1.00 0.00 C ATOM 1445 C GLY A 96 13.659 6.744 -14.465 1.00 0.00 C ATOM 1446 O GLY A 96 12.562 7.283 -14.611 1.00 0.00 O ATOM 0 H GLY A 96 15.062 6.675 -12.327 1.00 0.00 H new ATOM 0 HA2 GLY A 96 14.624 8.626 -14.045 1.00 0.00 H new ATOM 0 HA3 GLY A 96 15.552 7.568 -15.088 1.00 0.00 H new ATOM 1450 N GLN A 97 13.864 5.436 -14.512 1.00 0.00 N ATOM 1451 CA GLN A 97 12.767 4.514 -14.749 1.00 0.00 C ATOM 1452 C GLN A 97 11.509 4.987 -14.018 1.00 0.00 C ATOM 1453 O GLN A 97 11.599 5.638 -12.978 1.00 0.00 O ATOM 1454 CB GLN A 97 13.145 3.093 -14.327 1.00 0.00 C ATOM 1455 CG GLN A 97 13.774 3.084 -12.933 1.00 0.00 C ATOM 1456 CD GLN A 97 14.668 1.857 -12.743 1.00 0.00 C ATOM 1457 OE1 GLN A 97 14.837 1.036 -13.630 1.00 0.00 O ATOM 1458 NE2 GLN A 97 15.230 1.777 -11.540 1.00 0.00 N ATOM 0 H GLN A 97 14.774 4.993 -14.390 1.00 0.00 H new ATOM 0 HA GLN A 97 12.557 4.496 -15.818 1.00 0.00 H new ATOM 0 HB2 GLN A 97 12.258 2.460 -14.334 1.00 0.00 H new ATOM 0 HB3 GLN A 97 13.844 2.670 -15.048 1.00 0.00 H new ATOM 0 HG2 GLN A 97 14.360 3.991 -12.789 1.00 0.00 H new ATOM 0 HG3 GLN A 97 12.990 3.088 -12.176 1.00 0.00 H new ATOM 0 HE21 GLN A 97 15.047 2.498 -10.843 1.00 0.00 H new ATOM 0 HE22 GLN A 97 15.844 0.994 -11.315 1.00 0.00 H new ATOM 1467 N LEU A 98 10.365 4.642 -14.590 1.00 0.00 N ATOM 1468 CA LEU A 98 9.091 5.023 -14.006 1.00 0.00 C ATOM 1469 C LEU A 98 8.873 4.238 -12.711 1.00 0.00 C ATOM 1470 O LEU A 98 9.379 3.127 -12.562 1.00 0.00 O ATOM 1471 CB LEU A 98 7.962 4.853 -15.025 1.00 0.00 C ATOM 1472 CG LEU A 98 7.904 5.897 -16.142 1.00 0.00 C ATOM 1473 CD1 LEU A 98 6.504 6.502 -16.255 1.00 0.00 C ATOM 1474 CD2 LEU A 98 8.978 6.969 -15.947 1.00 0.00 C ATOM 0 H LEU A 98 10.294 4.102 -15.453 1.00 0.00 H new ATOM 0 HA LEU A 98 9.095 6.080 -13.742 1.00 0.00 H new ATOM 0 HB2 LEU A 98 8.056 3.867 -15.481 1.00 0.00 H new ATOM 0 HB3 LEU A 98 7.012 4.868 -14.491 1.00 0.00 H new ATOM 0 HG LEU A 98 8.116 5.398 -17.087 1.00 0.00 H new ATOM 0 HD11 LEU A 98 6.491 7.241 -17.056 1.00 0.00 H new ATOM 0 HD12 LEU A 98 5.784 5.714 -16.476 1.00 0.00 H new ATOM 0 HD13 LEU A 98 6.238 6.983 -15.314 1.00 0.00 H new ATOM 0 HD21 LEU A 98 8.915 7.698 -16.754 1.00 0.00 H new ATOM 0 HD22 LEU A 98 8.822 7.471 -14.992 1.00 0.00 H new ATOM 0 HD23 LEU A 98 9.963 6.503 -15.956 1.00 0.00 H new ATOM 1486 N ILE A 99 8.120 4.847 -11.807 1.00 0.00 N ATOM 1487 CA ILE A 99 7.830 4.219 -10.529 1.00 0.00 C ATOM 1488 C ILE A 99 6.756 3.147 -10.725 1.00 0.00 C ATOM 1489 O ILE A 99 5.857 3.307 -11.549 1.00 0.00 O ATOM 1490 CB ILE A 99 7.461 5.275 -9.485 1.00 0.00 C ATOM 1491 CG1 ILE A 99 8.576 6.311 -9.334 1.00 0.00 C ATOM 1492 CG2 ILE A 99 7.101 4.622 -8.149 1.00 0.00 C ATOM 1493 CD1 ILE A 99 9.840 5.675 -8.753 1.00 0.00 C ATOM 0 H ILE A 99 7.702 5.769 -11.934 1.00 0.00 H new ATOM 0 HA ILE A 99 8.716 3.716 -10.141 1.00 0.00 H new ATOM 0 HB ILE A 99 6.575 5.805 -9.834 1.00 0.00 H new ATOM 0 HG12 ILE A 99 8.800 6.753 -10.305 1.00 0.00 H new ATOM 0 HG13 ILE A 99 8.240 7.120 -8.685 1.00 0.00 H new ATOM 0 HG21 ILE A 99 6.843 5.394 -7.424 1.00 0.00 H new ATOM 0 HG22 ILE A 99 6.250 3.955 -8.288 1.00 0.00 H new ATOM 0 HG23 ILE A 99 7.954 4.051 -7.782 1.00 0.00 H new ATOM 0 HD11 ILE A 99 10.617 6.433 -8.656 1.00 0.00 H new ATOM 0 HD12 ILE A 99 9.618 5.255 -7.772 1.00 0.00 H new ATOM 0 HD13 ILE A 99 10.187 4.883 -9.417 1.00 0.00 H new ATOM 1505 N GLU A 100 6.887 2.077 -9.955 1.00 0.00 N ATOM 1506 CA GLU A 100 5.939 0.978 -10.034 1.00 0.00 C ATOM 1507 C GLU A 100 4.920 1.074 -8.897 1.00 0.00 C ATOM 1508 O GLU A 100 5.232 1.577 -7.819 1.00 0.00 O ATOM 1509 CB GLU A 100 6.660 -0.371 -10.011 1.00 0.00 C ATOM 1510 CG GLU A 100 7.562 -0.531 -11.237 1.00 0.00 C ATOM 1511 CD GLU A 100 8.547 -1.687 -11.046 1.00 0.00 C ATOM 1512 OE1 GLU A 100 9.171 -1.727 -9.964 1.00 0.00 O ATOM 1513 OE2 GLU A 100 8.652 -2.504 -11.986 1.00 0.00 O ATOM 0 H GLU A 100 7.635 1.947 -9.274 1.00 0.00 H new ATOM 0 HA GLU A 100 5.406 1.051 -10.982 1.00 0.00 H new ATOM 0 HB2 GLU A 100 7.257 -0.453 -9.103 1.00 0.00 H new ATOM 0 HB3 GLU A 100 5.928 -1.178 -9.986 1.00 0.00 H new ATOM 0 HG2 GLU A 100 6.951 -0.711 -12.121 1.00 0.00 H new ATOM 0 HG3 GLU A 100 8.111 0.394 -11.412 1.00 0.00 H new ATOM 1520 N PRO A 101 3.690 0.569 -9.184 1.00 0.00 N ATOM 1521 CA PRO A 101 2.622 0.593 -8.198 1.00 0.00 C ATOM 1522 C PRO A 101 2.846 -0.471 -7.122 1.00 0.00 C ATOM 1523 O PRO A 101 3.266 -1.587 -7.425 1.00 0.00 O ATOM 1524 CB PRO A 101 1.346 0.374 -8.994 1.00 0.00 C ATOM 1525 CG PRO A 101 1.781 -0.225 -10.321 1.00 0.00 C ATOM 1526 CD PRO A 101 3.284 -0.035 -10.449 1.00 0.00 C ATOM 0 HA PRO A 101 2.576 1.534 -7.650 1.00 0.00 H new ATOM 0 HB2 PRO A 101 0.667 -0.296 -8.467 1.00 0.00 H new ATOM 0 HB3 PRO A 101 0.814 1.313 -9.145 1.00 0.00 H new ATOM 0 HG2 PRO A 101 1.525 -1.284 -10.364 1.00 0.00 H new ATOM 0 HG3 PRO A 101 1.263 0.262 -11.147 1.00 0.00 H new ATOM 0 HD2 PRO A 101 3.791 -0.986 -10.615 1.00 0.00 H new ATOM 0 HD3 PRO A 101 3.531 0.609 -11.293 1.00 0.00 H new ATOM 1534 N LEU A 102 2.555 -0.089 -5.887 1.00 0.00 N ATOM 1535 CA LEU A 102 2.719 -0.997 -4.764 1.00 0.00 C ATOM 1536 C LEU A 102 1.820 -2.219 -4.967 1.00 0.00 C ATOM 1537 O LEU A 102 0.714 -2.276 -4.431 1.00 0.00 O ATOM 1538 CB LEU A 102 2.474 -0.265 -3.443 1.00 0.00 C ATOM 1539 CG LEU A 102 2.719 -1.079 -2.171 1.00 0.00 C ATOM 1540 CD1 LEU A 102 4.062 -1.807 -2.236 1.00 0.00 C ATOM 1541 CD2 LEU A 102 2.605 -0.196 -0.926 1.00 0.00 C ATOM 0 H LEU A 102 2.207 0.837 -5.639 1.00 0.00 H new ATOM 0 HA LEU A 102 3.745 -1.361 -4.714 1.00 0.00 H new ATOM 0 HB2 LEU A 102 3.114 0.617 -3.415 1.00 0.00 H new ATOM 0 HB3 LEU A 102 1.443 0.088 -3.432 1.00 0.00 H new ATOM 0 HG LEU A 102 1.943 -1.841 -2.098 1.00 0.00 H new ATOM 0 HD11 LEU A 102 4.211 -2.378 -1.320 1.00 0.00 H new ATOM 0 HD12 LEU A 102 4.068 -2.484 -3.090 1.00 0.00 H new ATOM 0 HD13 LEU A 102 4.866 -1.079 -2.345 1.00 0.00 H new ATOM 0 HD21 LEU A 102 2.783 -0.798 -0.035 1.00 0.00 H new ATOM 0 HD22 LEU A 102 3.344 0.603 -0.978 1.00 0.00 H new ATOM 0 HD23 LEU A 102 1.606 0.237 -0.877 1.00 0.00 H new ATOM 1553 N GLN A 103 2.329 -3.166 -5.740 1.00 0.00 N ATOM 1554 CA GLN A 103 1.586 -4.384 -6.020 1.00 0.00 C ATOM 1555 C GLN A 103 1.391 -5.193 -4.736 1.00 0.00 C ATOM 1556 O GLN A 103 2.362 -5.646 -4.131 1.00 0.00 O ATOM 1557 CB GLN A 103 2.285 -5.218 -7.094 1.00 0.00 C ATOM 1558 CG GLN A 103 1.458 -6.454 -7.453 1.00 0.00 C ATOM 1559 CD GLN A 103 2.180 -7.314 -8.493 1.00 0.00 C ATOM 1560 OE1 GLN A 103 3.181 -6.925 -9.071 1.00 0.00 O ATOM 1561 NE2 GLN A 103 1.618 -8.502 -8.696 1.00 0.00 N ATOM 0 H GLN A 103 3.247 -3.115 -6.182 1.00 0.00 H new ATOM 0 HA GLN A 103 0.604 -4.108 -6.405 1.00 0.00 H new ATOM 0 HB2 GLN A 103 2.443 -4.611 -7.985 1.00 0.00 H new ATOM 0 HB3 GLN A 103 3.269 -5.525 -6.738 1.00 0.00 H new ATOM 0 HG2 GLN A 103 1.270 -7.043 -6.556 1.00 0.00 H new ATOM 0 HG3 GLN A 103 0.487 -6.146 -7.841 1.00 0.00 H new ATOM 0 HE21 GLN A 103 0.780 -8.765 -8.178 1.00 0.00 H new ATOM 0 HE22 GLN A 103 2.025 -9.150 -9.370 1.00 0.00 H new ATOM 1570 N ILE A 104 0.131 -5.350 -4.359 1.00 0.00 N ATOM 1571 CA ILE A 104 -0.203 -6.098 -3.158 1.00 0.00 C ATOM 1572 C ILE A 104 -1.221 -7.185 -3.506 1.00 0.00 C ATOM 1573 O ILE A 104 -1.683 -7.267 -4.644 1.00 0.00 O ATOM 1574 CB ILE A 104 -0.668 -5.151 -2.050 1.00 0.00 C ATOM 1575 CG1 ILE A 104 -1.966 -4.443 -2.443 1.00 0.00 C ATOM 1576 CG2 ILE A 104 0.435 -4.159 -1.677 1.00 0.00 C ATOM 1577 CD1 ILE A 104 -2.678 -3.878 -1.212 1.00 0.00 C ATOM 0 H ILE A 104 -0.671 -4.972 -4.863 1.00 0.00 H new ATOM 0 HA ILE A 104 0.680 -6.602 -2.765 1.00 0.00 H new ATOM 0 HB ILE A 104 -0.881 -5.745 -1.161 1.00 0.00 H new ATOM 0 HG12 ILE A 104 -1.747 -3.636 -3.143 1.00 0.00 H new ATOM 0 HG13 ILE A 104 -2.624 -5.142 -2.959 1.00 0.00 H new ATOM 0 HG21 ILE A 104 0.078 -3.498 -0.887 1.00 0.00 H new ATOM 0 HG22 ILE A 104 1.311 -4.704 -1.325 1.00 0.00 H new ATOM 0 HG23 ILE A 104 0.703 -3.567 -2.552 1.00 0.00 H new ATOM 0 HD11 ILE A 104 -3.597 -3.380 -1.520 1.00 0.00 H new ATOM 0 HD12 ILE A 104 -2.918 -4.690 -0.526 1.00 0.00 H new ATOM 0 HD13 ILE A 104 -2.027 -3.161 -0.712 1.00 0.00 H new ATOM 1589 N PHE A 105 -1.543 -7.992 -2.506 1.00 0.00 N ATOM 1590 CA PHE A 105 -2.498 -9.071 -2.692 1.00 0.00 C ATOM 1591 C PHE A 105 -3.367 -9.254 -1.446 1.00 0.00 C ATOM 1592 O PHE A 105 -2.850 -9.395 -0.339 1.00 0.00 O ATOM 1593 CB PHE A 105 -1.690 -10.348 -2.928 1.00 0.00 C ATOM 1594 CG PHE A 105 -0.671 -10.238 -4.064 1.00 0.00 C ATOM 1595 CD1 PHE A 105 0.515 -9.606 -3.854 1.00 0.00 C ATOM 1596 CD2 PHE A 105 -0.950 -10.774 -5.282 1.00 0.00 C ATOM 1597 CE1 PHE A 105 1.461 -9.504 -4.908 1.00 0.00 C ATOM 1598 CE2 PHE A 105 -0.004 -10.672 -6.336 1.00 0.00 C ATOM 1599 CZ PHE A 105 1.182 -10.039 -6.127 1.00 0.00 C ATOM 0 H PHE A 105 -1.159 -7.920 -1.564 1.00 0.00 H new ATOM 0 HA PHE A 105 -3.156 -8.845 -3.531 1.00 0.00 H new ATOM 0 HB2 PHE A 105 -1.167 -10.610 -2.008 1.00 0.00 H new ATOM 0 HB3 PHE A 105 -2.377 -11.165 -3.148 1.00 0.00 H new ATOM 0 HD1 PHE A 105 0.737 -9.182 -2.886 1.00 0.00 H new ATOM 0 HD2 PHE A 105 -1.891 -11.277 -5.448 1.00 0.00 H new ATOM 0 HE1 PHE A 105 2.402 -9.001 -4.742 1.00 0.00 H new ATOM 0 HE2 PHE A 105 -0.226 -11.097 -7.304 1.00 0.00 H new ATOM 0 HZ PHE A 105 1.902 -9.961 -6.929 1.00 0.00 H new ATOM 1609 N PRO A 106 -4.708 -9.246 -1.674 1.00 0.00 N ATOM 1610 CA PRO A 106 -5.654 -9.410 -0.583 1.00 0.00 C ATOM 1611 C PRO A 106 -5.707 -10.867 -0.118 1.00 0.00 C ATOM 1612 O PRO A 106 -6.157 -11.742 -0.855 1.00 0.00 O ATOM 1613 CB PRO A 106 -6.980 -8.914 -1.135 1.00 0.00 C ATOM 1614 CG PRO A 106 -6.834 -8.927 -2.648 1.00 0.00 C ATOM 1615 CD PRO A 106 -5.357 -9.081 -2.972 1.00 0.00 C ATOM 0 HA PRO A 106 -5.372 -8.847 0.307 1.00 0.00 H new ATOM 0 HB2 PRO A 106 -7.800 -9.557 -0.816 1.00 0.00 H new ATOM 0 HB3 PRO A 106 -7.203 -7.910 -0.773 1.00 0.00 H new ATOM 0 HG2 PRO A 106 -7.407 -9.747 -3.080 1.00 0.00 H new ATOM 0 HG3 PRO A 106 -7.225 -8.004 -3.077 1.00 0.00 H new ATOM 0 HD2 PRO A 106 -5.181 -9.943 -3.615 1.00 0.00 H new ATOM 0 HD3 PRO A 106 -4.974 -8.207 -3.498 1.00 0.00 H new ATOM 1623 N ARG A 107 -5.241 -11.081 1.104 1.00 0.00 N ATOM 1624 CA ARG A 107 -5.229 -12.417 1.676 1.00 0.00 C ATOM 1625 C ARG A 107 -6.578 -12.725 2.331 1.00 0.00 C ATOM 1626 O ARG A 107 -6.868 -12.237 3.422 1.00 0.00 O ATOM 1627 CB ARG A 107 -4.119 -12.559 2.720 1.00 0.00 C ATOM 1628 CG ARG A 107 -2.818 -13.038 2.074 1.00 0.00 C ATOM 1629 CD ARG A 107 -1.950 -13.792 3.084 1.00 0.00 C ATOM 1630 NE ARG A 107 -1.829 -15.212 2.686 1.00 0.00 N ATOM 1631 CZ ARG A 107 -1.073 -16.111 3.332 1.00 0.00 C ATOM 1632 NH1 ARG A 107 -0.367 -15.743 4.409 1.00 0.00 N ATOM 1633 NH2 ARG A 107 -1.024 -17.379 2.900 1.00 0.00 N ATOM 0 H ARG A 107 -4.869 -10.352 1.713 1.00 0.00 H new ATOM 0 HA ARG A 107 -5.044 -13.123 0.867 1.00 0.00 H new ATOM 0 HB2 ARG A 107 -3.953 -11.601 3.213 1.00 0.00 H new ATOM 0 HB3 ARG A 107 -4.428 -13.265 3.491 1.00 0.00 H new ATOM 0 HG2 ARG A 107 -3.045 -13.687 1.228 1.00 0.00 H new ATOM 0 HG3 ARG A 107 -2.267 -12.184 1.681 1.00 0.00 H new ATOM 0 HD2 ARG A 107 -0.962 -13.336 3.139 1.00 0.00 H new ATOM 0 HD3 ARG A 107 -2.390 -13.721 4.079 1.00 0.00 H new ATOM 0 HE ARG A 107 -2.353 -15.526 1.869 1.00 0.00 H new ATOM 0 HH11 ARG A 107 -0.404 -14.778 4.738 1.00 0.00 H new ATOM 0 HH12 ARG A 107 0.208 -16.427 4.900 1.00 0.00 H new ATOM 0 HH21 ARG A 107 -1.562 -17.660 2.080 1.00 0.00 H new ATOM 0 HH22 ARG A 107 -0.449 -18.063 3.391 1.00 0.00 H new ATOM 1647 N SER A 108 -7.365 -13.534 1.636 1.00 0.00 N ATOM 1648 CA SER A 108 -8.675 -13.913 2.136 1.00 0.00 C ATOM 1649 C SER A 108 -8.538 -15.040 3.162 1.00 0.00 C ATOM 1650 O SER A 108 -7.681 -15.911 3.021 1.00 0.00 O ATOM 1651 CB SER A 108 -9.597 -14.345 0.993 1.00 0.00 C ATOM 1652 OG SER A 108 -9.512 -13.464 -0.123 1.00 0.00 O ATOM 0 H SER A 108 -7.120 -13.937 0.731 1.00 0.00 H new ATOM 0 HA SER A 108 -9.121 -13.043 2.618 1.00 0.00 H new ATOM 0 HB2 SER A 108 -9.335 -15.355 0.678 1.00 0.00 H new ATOM 0 HB3 SER A 108 -10.626 -14.379 1.350 1.00 0.00 H new ATOM 0 HG SER A 108 -10.114 -13.775 -0.831 1.00 0.00 H new ATOM 1658 N GLY A 109 -9.395 -14.986 4.171 1.00 0.00 N ATOM 1659 CA GLY A 109 -9.380 -15.991 5.220 1.00 0.00 C ATOM 1660 C GLY A 109 -10.574 -15.818 6.162 1.00 0.00 C ATOM 1661 O GLY A 109 -10.780 -14.740 6.717 1.00 0.00 O ATOM 0 H GLY A 109 -10.104 -14.262 4.284 1.00 0.00 H new ATOM 0 HA2 GLY A 109 -9.404 -16.986 4.776 1.00 0.00 H new ATOM 0 HA3 GLY A 109 -8.452 -15.917 5.786 1.00 0.00 H new ATOM 1665 N PRO A 110 -11.349 -16.925 6.317 1.00 0.00 N ATOM 1666 CA PRO A 110 -12.516 -16.906 7.182 1.00 0.00 C ATOM 1667 C PRO A 110 -12.107 -16.944 8.656 1.00 0.00 C ATOM 1668 O PRO A 110 -10.922 -17.043 8.973 1.00 0.00 O ATOM 1669 CB PRO A 110 -13.336 -18.115 6.762 1.00 0.00 C ATOM 1670 CG PRO A 110 -12.382 -19.024 6.004 1.00 0.00 C ATOM 1671 CD PRO A 110 -11.135 -18.219 5.675 1.00 0.00 C ATOM 0 HA PRO A 110 -13.099 -15.991 7.081 1.00 0.00 H new ATOM 0 HB2 PRO A 110 -13.753 -18.624 7.631 1.00 0.00 H new ATOM 0 HB3 PRO A 110 -14.175 -17.818 6.133 1.00 0.00 H new ATOM 0 HG2 PRO A 110 -12.126 -19.896 6.606 1.00 0.00 H new ATOM 0 HG3 PRO A 110 -12.850 -19.393 5.091 1.00 0.00 H new ATOM 0 HD2 PRO A 110 -10.237 -18.706 6.056 1.00 0.00 H new ATOM 0 HD3 PRO A 110 -11.006 -18.110 4.598 1.00 0.00 H new ATOM 1679 N SER A 111 -13.110 -16.863 9.518 1.00 0.00 N ATOM 1680 CA SER A 111 -12.869 -16.887 10.950 1.00 0.00 C ATOM 1681 C SER A 111 -12.353 -15.524 11.417 1.00 0.00 C ATOM 1682 O SER A 111 -12.971 -14.878 12.261 1.00 0.00 O ATOM 1683 CB SER A 111 -11.874 -17.988 11.324 1.00 0.00 C ATOM 1684 OG SER A 111 -12.035 -18.417 12.673 1.00 0.00 O ATOM 0 H SER A 111 -14.091 -16.781 9.252 1.00 0.00 H new ATOM 0 HA SER A 111 -13.813 -17.103 11.451 1.00 0.00 H new ATOM 0 HB2 SER A 111 -12.006 -18.838 10.655 1.00 0.00 H new ATOM 0 HB3 SER A 111 -10.857 -17.623 11.179 1.00 0.00 H new ATOM 0 HG SER A 111 -11.383 -19.121 12.872 1.00 0.00 H new ATOM 1690 N SER A 112 -11.224 -15.128 10.847 1.00 0.00 N ATOM 1691 CA SER A 112 -10.618 -13.854 11.193 1.00 0.00 C ATOM 1692 C SER A 112 -9.533 -13.496 10.175 1.00 0.00 C ATOM 1693 O SER A 112 -9.609 -12.457 9.522 1.00 0.00 O ATOM 1694 CB SER A 112 -10.029 -13.890 12.605 1.00 0.00 C ATOM 1695 OG SER A 112 -9.146 -14.994 12.787 1.00 0.00 O ATOM 0 H SER A 112 -10.713 -15.667 10.148 1.00 0.00 H new ATOM 0 HA SER A 112 -11.394 -13.089 11.171 1.00 0.00 H new ATOM 0 HB2 SER A 112 -9.492 -12.961 12.798 1.00 0.00 H new ATOM 0 HB3 SER A 112 -10.837 -13.948 13.334 1.00 0.00 H new ATOM 0 HG SER A 112 -8.790 -14.981 13.700 1.00 0.00 H new ATOM 1701 N GLY A 113 -8.549 -14.377 10.072 1.00 0.00 N ATOM 1702 CA GLY A 113 -7.451 -14.167 9.145 1.00 0.00 C ATOM 1703 C GLY A 113 -7.002 -15.489 8.518 1.00 0.00 C ATOM 1704 O GLY A 113 -7.830 -16.279 8.067 1.00 0.00 O ATOM 0 H GLY A 113 -8.490 -15.238 10.616 1.00 0.00 H new ATOM 0 HA2 GLY A 113 -7.759 -13.475 8.361 1.00 0.00 H new ATOM 0 HA3 GLY A 113 -6.613 -13.705 9.667 1.00 0.00 H new TER 1708 GLY A 113