USER MOD reduce.3.24.130724 H: found=0, std=0, add=568, rem=0, adj=21 USER MOD reduce.3.24.130724 removed 569 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 114 ASN : amide:sc= -1.4! K(o=-1!,f=-2.2) USER MOD Set 1.2: A 117 HIS : no HE2:sc= 0.378 K(o=-1,f=-7.6!) USER MOD Set 2.1: A 98 ASN : amide:sc= -1.51 K(o=-0.28,f=-6.6) USER MOD Set 2.2: A 100 TYR OH : rot -90:sc= 1.23 USER MOD Set 3.1: A 94 ASN : amide:sc= -0.473 K(o=-0.2,f=-4.5!) USER MOD Set 3.2: A 96 THR OG1 : rot -170:sc= 0.271 USER MOD Set 4.1: A 89 ASN : amide:sc= 0.776 K(o=1.8,f=0.51) USER MOD Set 4.2: A 93 TYR OH : rot -152:sc= 1.05 USER MOD Set 5.1: A 69 THR OG1 : rot 23:sc= 1.67 USER MOD Set 5.2: A 115 TYR OH : rot 86:sc= 0.0896 USER MOD Set 6.1: A 49 THR OG1 : rot -152:sc= 1.03 USER MOD Set 6.2: A 61 ASN : amide:sc= 0.92 K(o=2,f=-6!) USER MOD Single : A 44 TYR OH : rot 180:sc= 0 USER MOD Single : A 46 HIS : no HD1:sc= -0.292 X(o=-0.29,f=-0.15) USER MOD Single : A 48 THR OG1 : rot 14:sc= 0.85 USER MOD Single : A 52 ASN : amide:sc= -0.0268 X(o=-0.027,f=-0.46) USER MOD Single : A 54 SER OG : rot 180:sc= 0 USER MOD Single : A 57 TYR OH : rot 180:sc= 0 USER MOD Single : A 58 THR OG1 : rot 180:sc= 0 USER MOD Single : A 59 TYR OH : rot 79:sc= 0.0289 USER MOD Single : A 62 THR OG1 : rot 100:sc= -1.84! USER MOD Single : A 63 THR OG1 : rot 180:sc= 0 USER MOD Single : A 66 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 73 GLN : amide:sc= -1.39 X(o=-1.4,f=-1.2) USER MOD Single : A 74 SER OG : rot 180:sc= 0 USER MOD Single : A 87 TYR OH : rot 180:sc= 0 USER MOD Single : A 92 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 95 THR OG1 : rot 180:sc= 0 USER MOD Single : A 106 ASN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 108 THR OG1 : rot 180:sc= 0 USER MOD Single : A 111 SER OG : rot 180:sc= 0 USER MOD Single : A 116 SER OG : rot -57:sc= 0.132 USER MOD ----------------------------------------------------------------- ATOM 1 N TYR A 44 -1.751 13.982 -3.648 1.00 0.00 N ATOM 2 CA TYR A 44 -2.967 13.126 -3.527 1.00 0.00 C ATOM 3 C TYR A 44 -2.906 11.933 -4.485 1.00 0.00 C ATOM 4 O TYR A 44 -1.983 11.828 -5.295 1.00 0.00 O ATOM 5 CB TYR A 44 -4.206 13.981 -3.822 1.00 0.00 C ATOM 6 CG TYR A 44 -4.851 14.559 -2.582 1.00 0.00 C ATOM 7 CD1 TYR A 44 -5.744 13.809 -1.827 1.00 0.00 C ATOM 8 CD2 TYR A 44 -4.565 15.853 -2.164 1.00 0.00 C ATOM 9 CE1 TYR A 44 -6.334 14.336 -0.691 1.00 0.00 C ATOM 10 CE2 TYR A 44 -5.149 16.383 -1.030 1.00 0.00 C ATOM 11 CZ TYR A 44 -6.033 15.620 -0.298 1.00 0.00 C ATOM 12 OH TYR A 44 -6.616 16.146 0.830 1.00 0.00 O ATOM 0 HA TYR A 44 -3.020 12.729 -2.513 1.00 0.00 H new ATOM 0 HB2 TYR A 44 -3.925 14.796 -4.489 1.00 0.00 H new ATOM 0 HB3 TYR A 44 -4.939 13.373 -4.353 1.00 0.00 H new ATOM 0 HD1 TYR A 44 -5.981 12.800 -2.131 1.00 0.00 H new ATOM 0 HD2 TYR A 44 -3.874 16.455 -2.736 1.00 0.00 H new ATOM 0 HE1 TYR A 44 -7.028 13.742 -0.115 1.00 0.00 H new ATOM 0 HE2 TYR A 44 -4.914 17.390 -0.719 1.00 0.00 H new ATOM 0 HH TYR A 44 -6.295 17.062 0.967 1.00 0.00 H new ATOM 22 N CYS A 45 -3.894 11.043 -4.387 1.00 0.00 N ATOM 23 CA CYS A 45 -3.953 9.857 -5.248 1.00 0.00 C ATOM 24 C CYS A 45 -4.885 10.079 -6.440 1.00 0.00 C ATOM 25 O CYS A 45 -5.614 11.069 -6.499 1.00 0.00 O ATOM 26 CB CYS A 45 -4.420 8.638 -4.443 1.00 0.00 C ATOM 27 SG CYS A 45 -3.099 7.829 -3.486 1.00 0.00 S ATOM 0 H CYS A 45 -4.664 11.119 -3.722 1.00 0.00 H new ATOM 0 HA CYS A 45 -2.949 9.674 -5.630 1.00 0.00 H new ATOM 0 HB2 CYS A 45 -5.211 8.948 -3.760 1.00 0.00 H new ATOM 0 HB3 CYS A 45 -4.857 7.910 -5.127 1.00 0.00 H new ATOM 32 N HIS A 46 -4.859 9.141 -7.386 1.00 0.00 N ATOM 33 CA HIS A 46 -5.703 9.227 -8.580 1.00 0.00 C ATOM 34 C HIS A 46 -7.066 8.555 -8.344 1.00 0.00 C ATOM 35 O HIS A 46 -7.523 8.449 -7.202 1.00 0.00 O ATOM 36 CB HIS A 46 -4.977 8.599 -9.779 1.00 0.00 C ATOM 37 CG HIS A 46 -5.170 9.355 -11.058 1.00 0.00 C ATOM 38 ND1 HIS A 46 -5.484 8.746 -12.253 1.00 0.00 N ATOM 39 CD2 HIS A 46 -5.096 10.680 -11.323 1.00 0.00 C ATOM 40 CE1 HIS A 46 -5.596 9.662 -13.197 1.00 0.00 C ATOM 41 NE2 HIS A 46 -5.366 10.845 -12.659 1.00 0.00 N ATOM 0 H HIS A 46 -4.264 8.313 -7.350 1.00 0.00 H new ATOM 0 HA HIS A 46 -5.892 10.278 -8.798 1.00 0.00 H new ATOM 0 HB2 HIS A 46 -3.911 8.540 -9.558 1.00 0.00 H new ATOM 0 HB3 HIS A 46 -5.331 7.577 -9.913 1.00 0.00 H new ATOM 0 HD2 HIS A 46 -4.867 11.463 -10.615 1.00 0.00 H new ATOM 0 HE1 HIS A 46 -5.835 9.475 -14.233 1.00 0.00 H new ATOM 0 HE2 HIS A 46 -5.386 11.736 -13.155 1.00 0.00 H new ATOM 50 N ARG A 47 -7.719 8.119 -9.429 1.00 0.00 N ATOM 51 CA ARG A 47 -9.041 7.469 -9.358 1.00 0.00 C ATOM 52 C ARG A 47 -10.127 8.464 -8.946 1.00 0.00 C ATOM 53 O ARG A 47 -11.103 8.656 -9.672 1.00 0.00 O ATOM 54 CB ARG A 47 -9.056 6.269 -8.391 1.00 0.00 C ATOM 55 CG ARG A 47 -7.706 5.605 -8.163 1.00 0.00 C ATOM 56 CD ARG A 47 -7.089 5.103 -9.456 1.00 0.00 C ATOM 57 NE ARG A 47 -5.649 4.871 -9.307 1.00 0.00 N ATOM 58 CZ ARG A 47 -4.938 4.039 -10.058 1.00 0.00 C ATOM 59 NH1 ARG A 47 -5.514 3.338 -11.017 1.00 0.00 N ATOM 60 NH2 ARG A 47 -3.646 3.907 -9.840 1.00 0.00 N ATOM 0 H ARG A 47 -7.352 8.204 -10.377 1.00 0.00 H new ATOM 0 HA ARG A 47 -9.250 7.099 -10.362 1.00 0.00 H new ATOM 0 HB2 ARG A 47 -9.446 6.602 -7.429 1.00 0.00 H new ATOM 0 HB3 ARG A 47 -9.750 5.522 -8.775 1.00 0.00 H new ATOM 0 HG2 ARG A 47 -7.028 6.316 -7.691 1.00 0.00 H new ATOM 0 HG3 ARG A 47 -7.825 4.771 -7.471 1.00 0.00 H new ATOM 0 HD2 ARG A 47 -7.579 4.178 -9.759 1.00 0.00 H new ATOM 0 HD3 ARG A 47 -7.262 5.830 -10.250 1.00 0.00 H new ATOM 0 HE ARG A 47 -5.159 5.385 -8.575 1.00 0.00 H new ATOM 0 HH11 ARG A 47 -6.515 3.433 -11.187 1.00 0.00 H new ATOM 0 HH12 ARG A 47 -4.958 2.702 -11.588 1.00 0.00 H new ATOM 0 HH21 ARG A 47 -3.197 4.443 -9.097 1.00 0.00 H new ATOM 0 HH22 ARG A 47 -3.095 3.269 -10.414 1.00 0.00 H new ATOM 74 N THR A 48 -9.955 9.088 -7.775 1.00 0.00 N ATOM 75 CA THR A 48 -10.923 10.059 -7.254 1.00 0.00 C ATOM 76 C THR A 48 -12.335 9.473 -7.257 1.00 0.00 C ATOM 77 O THR A 48 -13.180 9.861 -8.063 1.00 0.00 O ATOM 78 CB THR A 48 -10.875 11.374 -8.056 1.00 0.00 C ATOM 79 OG1 THR A 48 -11.165 11.168 -9.430 1.00 0.00 O ATOM 80 CG2 THR A 48 -9.535 12.067 -7.986 1.00 0.00 C ATOM 0 H THR A 48 -9.150 8.936 -7.168 1.00 0.00 H new ATOM 0 HA THR A 48 -10.650 10.285 -6.223 1.00 0.00 H new ATOM 0 HB THR A 48 -11.634 12.002 -7.589 1.00 0.00 H new ATOM 0 HG1 THR A 48 -11.550 10.275 -9.553 1.00 0.00 H new ATOM 0 HG21 THR A 48 -9.569 12.986 -8.572 1.00 0.00 H new ATOM 0 HG22 THR A 48 -9.303 12.307 -6.948 1.00 0.00 H new ATOM 0 HG23 THR A 48 -8.764 11.409 -8.387 1.00 0.00 H new ATOM 88 N THR A 49 -12.575 8.527 -6.353 1.00 0.00 N ATOM 89 CA THR A 49 -13.879 7.876 -6.250 1.00 0.00 C ATOM 90 C THR A 49 -14.865 8.732 -5.448 1.00 0.00 C ATOM 91 O THR A 49 -14.462 9.651 -4.732 1.00 0.00 O ATOM 92 CB THR A 49 -13.727 6.485 -5.623 1.00 0.00 C ATOM 93 OG1 THR A 49 -12.957 6.552 -4.430 1.00 0.00 O ATOM 94 CG2 THR A 49 -13.062 5.492 -6.553 1.00 0.00 C ATOM 0 H THR A 49 -11.884 8.194 -5.681 1.00 0.00 H new ATOM 0 HA THR A 49 -14.285 7.763 -7.255 1.00 0.00 H new ATOM 0 HB THR A 49 -14.740 6.142 -5.412 1.00 0.00 H new ATOM 0 HG1 THR A 49 -12.500 5.697 -4.287 1.00 0.00 H new ATOM 0 HG21 THR A 49 -12.981 4.525 -6.056 1.00 0.00 H new ATOM 0 HG22 THR A 49 -13.659 5.385 -7.459 1.00 0.00 H new ATOM 0 HG23 THR A 49 -12.066 5.849 -6.815 1.00 0.00 H new ATOM 102 N ILE A 50 -16.156 8.417 -5.586 1.00 0.00 N ATOM 103 CA ILE A 50 -17.234 9.136 -4.902 1.00 0.00 C ATOM 104 C ILE A 50 -17.262 10.621 -5.272 1.00 0.00 C ATOM 105 O ILE A 50 -16.365 11.127 -5.951 1.00 0.00 O ATOM 106 CB ILE A 50 -17.140 8.953 -3.375 1.00 0.00 C ATOM 107 CG1 ILE A 50 -18.524 8.695 -2.767 1.00 0.00 C ATOM 108 CG2 ILE A 50 -16.479 10.146 -2.695 1.00 0.00 C ATOM 109 CD1 ILE A 50 -19.158 7.398 -3.222 1.00 0.00 C ATOM 0 H ILE A 50 -16.484 7.653 -6.177 1.00 0.00 H new ATOM 0 HA ILE A 50 -18.173 8.701 -5.243 1.00 0.00 H new ATOM 0 HB ILE A 50 -16.510 8.081 -3.199 1.00 0.00 H new ATOM 0 HG12 ILE A 50 -18.437 8.685 -1.681 1.00 0.00 H new ATOM 0 HG13 ILE A 50 -19.185 9.522 -3.026 1.00 0.00 H new ATOM 0 HG21 ILE A 50 -16.434 9.973 -1.620 1.00 0.00 H new ATOM 0 HG22 ILE A 50 -15.469 10.273 -3.084 1.00 0.00 H new ATOM 0 HG23 ILE A 50 -17.060 11.046 -2.894 1.00 0.00 H new ATOM 0 HD11 ILE A 50 -20.134 7.285 -2.750 1.00 0.00 H new ATOM 0 HD12 ILE A 50 -19.278 7.412 -4.305 1.00 0.00 H new ATOM 0 HD13 ILE A 50 -18.519 6.562 -2.939 1.00 0.00 H new ATOM 121 N GLY A 51 -18.315 11.307 -4.838 1.00 0.00 N ATOM 122 CA GLY A 51 -18.472 12.728 -5.143 1.00 0.00 C ATOM 123 C GLY A 51 -18.713 12.978 -6.624 1.00 0.00 C ATOM 124 O GLY A 51 -19.747 13.525 -7.011 1.00 0.00 O ATOM 0 H GLY A 51 -19.068 10.907 -4.278 1.00 0.00 H new ATOM 0 HA2 GLY A 51 -19.306 13.130 -4.569 1.00 0.00 H new ATOM 0 HA3 GLY A 51 -17.578 13.266 -4.827 1.00 0.00 H new ATOM 128 N ASN A 52 -17.752 12.563 -7.447 1.00 0.00 N ATOM 129 CA ASN A 52 -17.832 12.716 -8.894 1.00 0.00 C ATOM 130 C ASN A 52 -18.082 11.361 -9.565 1.00 0.00 C ATOM 131 O ASN A 52 -18.344 10.361 -8.894 1.00 0.00 O ATOM 132 CB ASN A 52 -16.535 13.346 -9.420 1.00 0.00 C ATOM 133 CG ASN A 52 -16.162 14.618 -8.681 1.00 0.00 C ATOM 134 OD1 ASN A 52 -15.720 14.576 -7.536 1.00 0.00 O ATOM 135 ND2 ASN A 52 -16.339 15.758 -9.332 1.00 0.00 N ATOM 0 H ASN A 52 -16.896 12.111 -7.127 1.00 0.00 H new ATOM 0 HA ASN A 52 -18.668 13.373 -9.135 1.00 0.00 H new ATOM 0 HB2 ASN A 52 -15.722 12.625 -9.328 1.00 0.00 H new ATOM 0 HB3 ASN A 52 -16.647 13.567 -10.482 1.00 0.00 H new ATOM 0 HD21 ASN A 52 -16.105 16.643 -8.883 1.00 0.00 H new ATOM 0 HD22 ASN A 52 -16.709 15.750 -10.283 1.00 0.00 H new ATOM 142 N PHE A 53 -18.003 11.339 -10.892 1.00 0.00 N ATOM 143 CA PHE A 53 -18.219 10.108 -11.661 1.00 0.00 C ATOM 144 C PHE A 53 -17.263 8.994 -11.216 1.00 0.00 C ATOM 145 O PHE A 53 -16.171 9.268 -10.713 1.00 0.00 O ATOM 146 CB PHE A 53 -18.044 10.378 -13.162 1.00 0.00 C ATOM 147 CG PHE A 53 -18.892 11.508 -13.676 1.00 0.00 C ATOM 148 CD1 PHE A 53 -20.268 11.370 -13.782 1.00 0.00 C ATOM 149 CD2 PHE A 53 -18.313 12.710 -14.049 1.00 0.00 C ATOM 150 CE1 PHE A 53 -21.047 12.409 -14.252 1.00 0.00 C ATOM 151 CE2 PHE A 53 -19.089 13.753 -14.520 1.00 0.00 C ATOM 152 CZ PHE A 53 -20.458 13.602 -14.621 1.00 0.00 C ATOM 0 H PHE A 53 -17.791 12.158 -11.462 1.00 0.00 H new ATOM 0 HA PHE A 53 -19.240 9.775 -11.472 1.00 0.00 H new ATOM 0 HB2 PHE A 53 -16.996 10.602 -13.362 1.00 0.00 H new ATOM 0 HB3 PHE A 53 -18.288 9.471 -13.716 1.00 0.00 H new ATOM 0 HD1 PHE A 53 -20.735 10.440 -13.494 1.00 0.00 H new ATOM 0 HD2 PHE A 53 -17.243 12.834 -13.971 1.00 0.00 H new ATOM 0 HE1 PHE A 53 -22.117 12.288 -14.331 1.00 0.00 H new ATOM 0 HE2 PHE A 53 -18.625 14.685 -14.809 1.00 0.00 H new ATOM 0 HZ PHE A 53 -21.067 14.415 -14.988 1.00 0.00 H new ATOM 162 N SER A 54 -17.687 7.741 -11.404 1.00 0.00 N ATOM 163 CA SER A 54 -16.885 6.567 -11.025 1.00 0.00 C ATOM 164 C SER A 54 -16.855 6.383 -9.506 1.00 0.00 C ATOM 165 O SER A 54 -15.857 6.683 -8.844 1.00 0.00 O ATOM 166 CB SER A 54 -15.459 6.669 -11.585 1.00 0.00 C ATOM 167 OG SER A 54 -15.384 6.083 -12.878 1.00 0.00 O ATOM 0 H SER A 54 -18.589 7.509 -11.820 1.00 0.00 H new ATOM 0 HA SER A 54 -17.361 5.689 -11.462 1.00 0.00 H new ATOM 0 HB2 SER A 54 -15.157 7.715 -11.636 1.00 0.00 H new ATOM 0 HB3 SER A 54 -14.762 6.169 -10.913 1.00 0.00 H new ATOM 0 HG SER A 54 -14.468 6.159 -13.219 1.00 0.00 H new ATOM 173 N GLY A 55 -17.966 5.884 -8.961 1.00 0.00 N ATOM 174 CA GLY A 55 -18.065 5.659 -7.525 1.00 0.00 C ATOM 175 C GLY A 55 -17.442 4.345 -7.084 1.00 0.00 C ATOM 176 O GLY A 55 -17.282 3.427 -7.890 1.00 0.00 O ATOM 0 H GLY A 55 -18.801 5.631 -9.490 1.00 0.00 H new ATOM 0 HA2 GLY A 55 -17.577 6.480 -7.000 1.00 0.00 H new ATOM 0 HA3 GLY A 55 -19.115 5.673 -7.232 1.00 0.00 H new ATOM 180 N PRO A 56 -17.083 4.221 -5.791 1.00 0.00 N ATOM 181 CA PRO A 56 -16.482 3.006 -5.250 1.00 0.00 C ATOM 182 C PRO A 56 -17.533 1.982 -4.809 1.00 0.00 C ATOM 183 O PRO A 56 -18.723 2.142 -5.082 1.00 0.00 O ATOM 184 CB PRO A 56 -15.700 3.540 -4.049 1.00 0.00 C ATOM 185 CG PRO A 56 -16.511 4.692 -3.557 1.00 0.00 C ATOM 186 CD PRO A 56 -17.240 5.258 -4.752 1.00 0.00 C ATOM 0 HA PRO A 56 -15.873 2.473 -5.980 1.00 0.00 H new ATOM 0 HB2 PRO A 56 -15.586 2.777 -3.279 1.00 0.00 H new ATOM 0 HB3 PRO A 56 -14.697 3.855 -4.337 1.00 0.00 H new ATOM 0 HG2 PRO A 56 -17.217 4.368 -2.792 1.00 0.00 H new ATOM 0 HG3 PRO A 56 -15.871 5.448 -3.101 1.00 0.00 H new ATOM 0 HD2 PRO A 56 -18.291 5.442 -4.528 1.00 0.00 H new ATOM 0 HD3 PRO A 56 -16.810 6.208 -5.068 1.00 0.00 H new ATOM 194 N TYR A 57 -17.085 0.932 -4.128 1.00 0.00 N ATOM 195 CA TYR A 57 -17.984 -0.117 -3.649 1.00 0.00 C ATOM 196 C TYR A 57 -17.690 -0.463 -2.186 1.00 0.00 C ATOM 197 O TYR A 57 -16.818 0.140 -1.561 1.00 0.00 O ATOM 198 CB TYR A 57 -17.836 -1.363 -4.531 1.00 0.00 C ATOM 199 CG TYR A 57 -19.118 -2.147 -4.703 1.00 0.00 C ATOM 200 CD1 TYR A 57 -20.246 -1.560 -5.261 1.00 0.00 C ATOM 201 CD2 TYR A 57 -19.196 -3.474 -4.307 1.00 0.00 C ATOM 202 CE1 TYR A 57 -21.417 -2.277 -5.418 1.00 0.00 C ATOM 203 CE2 TYR A 57 -20.363 -4.197 -4.463 1.00 0.00 C ATOM 204 CZ TYR A 57 -21.468 -3.593 -5.017 1.00 0.00 C ATOM 205 OH TYR A 57 -22.631 -4.310 -5.172 1.00 0.00 O ATOM 0 H TYR A 57 -16.103 0.783 -3.894 1.00 0.00 H new ATOM 0 HA TYR A 57 -19.010 0.247 -3.709 1.00 0.00 H new ATOM 0 HB2 TYR A 57 -17.472 -1.060 -5.513 1.00 0.00 H new ATOM 0 HB3 TYR A 57 -17.078 -2.015 -4.097 1.00 0.00 H new ATOM 0 HD1 TYR A 57 -20.208 -0.528 -5.577 1.00 0.00 H new ATOM 0 HD2 TYR A 57 -18.331 -3.950 -3.870 1.00 0.00 H new ATOM 0 HE1 TYR A 57 -22.287 -1.808 -5.853 1.00 0.00 H new ATOM 0 HE2 TYR A 57 -20.408 -5.230 -4.152 1.00 0.00 H new ATOM 0 HH TYR A 57 -22.499 -5.223 -4.840 1.00 0.00 H new ATOM 215 N THR A 58 -18.417 -1.447 -1.647 1.00 0.00 N ATOM 216 CA THR A 58 -18.225 -1.884 -0.255 1.00 0.00 C ATOM 217 C THR A 58 -16.802 -2.405 -0.007 1.00 0.00 C ATOM 218 O THR A 58 -16.399 -2.602 1.141 1.00 0.00 O ATOM 219 CB THR A 58 -19.247 -2.966 0.104 1.00 0.00 C ATOM 220 OG1 THR A 58 -20.565 -2.533 -0.185 1.00 0.00 O ATOM 221 CG2 THR A 58 -19.212 -3.369 1.564 1.00 0.00 C ATOM 0 H THR A 58 -19.143 -1.957 -2.150 1.00 0.00 H new ATOM 0 HA THR A 58 -18.375 -1.014 0.384 1.00 0.00 H new ATOM 0 HB THR A 58 -18.970 -3.828 -0.503 1.00 0.00 H new ATOM 0 HG1 THR A 58 -21.201 -3.241 0.051 1.00 0.00 H new ATOM 0 HG21 THR A 58 -19.962 -4.139 1.747 1.00 0.00 H new ATOM 0 HG22 THR A 58 -18.224 -3.759 1.810 1.00 0.00 H new ATOM 0 HG23 THR A 58 -19.425 -2.500 2.187 1.00 0.00 H new ATOM 229 N TYR A 59 -16.042 -2.623 -1.083 1.00 0.00 N ATOM 230 CA TYR A 59 -14.666 -3.108 -0.983 1.00 0.00 C ATOM 231 C TYR A 59 -13.728 -1.984 -0.526 1.00 0.00 C ATOM 232 O TYR A 59 -14.181 -0.928 -0.087 1.00 0.00 O ATOM 233 CB TYR A 59 -14.201 -3.655 -2.343 1.00 0.00 C ATOM 234 CG TYR A 59 -15.229 -4.500 -3.071 1.00 0.00 C ATOM 235 CD1 TYR A 59 -16.170 -5.253 -2.378 1.00 0.00 C ATOM 236 CD2 TYR A 59 -15.254 -4.540 -4.459 1.00 0.00 C ATOM 237 CE1 TYR A 59 -17.104 -6.018 -3.046 1.00 0.00 C ATOM 238 CE2 TYR A 59 -16.186 -5.306 -5.134 1.00 0.00 C ATOM 239 CZ TYR A 59 -17.109 -6.040 -4.422 1.00 0.00 C ATOM 240 OH TYR A 59 -18.039 -6.799 -5.087 1.00 0.00 O ATOM 0 H TYR A 59 -16.361 -2.469 -2.040 1.00 0.00 H new ATOM 0 HA TYR A 59 -14.636 -3.908 -0.244 1.00 0.00 H new ATOM 0 HB2 TYR A 59 -13.923 -2.816 -2.981 1.00 0.00 H new ATOM 0 HB3 TYR A 59 -13.302 -4.252 -2.191 1.00 0.00 H new ATOM 0 HD1 TYR A 59 -16.170 -5.239 -1.298 1.00 0.00 H new ATOM 0 HD2 TYR A 59 -14.534 -3.963 -5.020 1.00 0.00 H new ATOM 0 HE1 TYR A 59 -17.828 -6.597 -2.492 1.00 0.00 H new ATOM 0 HE2 TYR A 59 -16.190 -5.329 -6.214 1.00 0.00 H new ATOM 0 HH TYR A 59 -18.897 -6.325 -5.103 1.00 0.00 H new ATOM 250 N CYS A 60 -12.418 -2.207 -0.646 1.00 0.00 N ATOM 251 CA CYS A 60 -11.434 -1.190 -0.258 1.00 0.00 C ATOM 252 C CYS A 60 -11.490 -0.002 -1.226 1.00 0.00 C ATOM 253 O CYS A 60 -12.292 0.015 -2.156 1.00 0.00 O ATOM 254 CB CYS A 60 -10.017 -1.785 -0.226 1.00 0.00 C ATOM 255 SG CYS A 60 -9.182 -1.673 1.394 1.00 0.00 S ATOM 0 H CYS A 60 -12.015 -3.073 -1.005 1.00 0.00 H new ATOM 0 HA CYS A 60 -11.680 -0.840 0.745 1.00 0.00 H new ATOM 0 HB2 CYS A 60 -10.070 -2.833 -0.521 1.00 0.00 H new ATOM 0 HB3 CYS A 60 -9.406 -1.275 -0.971 1.00 0.00 H new ATOM 260 N ASN A 61 -10.628 0.986 -1.003 1.00 0.00 N ATOM 261 CA ASN A 61 -10.580 2.177 -1.860 1.00 0.00 C ATOM 262 C ASN A 61 -9.142 2.672 -2.028 1.00 0.00 C ATOM 263 O ASN A 61 -8.301 2.445 -1.160 1.00 0.00 O ATOM 264 CB ASN A 61 -11.455 3.290 -1.272 1.00 0.00 C ATOM 265 CG ASN A 61 -12.101 4.160 -2.337 1.00 0.00 C ATOM 266 OD1 ASN A 61 -11.508 4.436 -3.381 1.00 0.00 O ATOM 267 ND2 ASN A 61 -13.324 4.598 -2.082 1.00 0.00 N ATOM 0 H ASN A 61 -9.953 0.990 -0.239 1.00 0.00 H new ATOM 0 HA ASN A 61 -10.965 1.904 -2.842 1.00 0.00 H new ATOM 0 HB2 ASN A 61 -12.234 2.844 -0.653 1.00 0.00 H new ATOM 0 HB3 ASN A 61 -10.847 3.916 -0.618 1.00 0.00 H new ATOM 0 HD21 ASN A 61 -13.807 5.185 -2.762 1.00 0.00 H new ATOM 0 HD22 ASN A 61 -13.783 4.348 -1.206 1.00 0.00 H new ATOM 274 N THR A 62 -8.868 3.344 -3.147 1.00 0.00 N ATOM 275 CA THR A 62 -7.524 3.868 -3.435 1.00 0.00 C ATOM 276 C THR A 62 -7.083 4.894 -2.396 1.00 0.00 C ATOM 277 O THR A 62 -7.370 6.087 -2.519 1.00 0.00 O ATOM 278 CB THR A 62 -7.471 4.489 -4.833 1.00 0.00 C ATOM 279 OG1 THR A 62 -8.442 3.903 -5.683 1.00 0.00 O ATOM 280 CG2 THR A 62 -6.125 4.330 -5.507 1.00 0.00 C ATOM 0 H THR A 62 -9.558 3.541 -3.872 1.00 0.00 H new ATOM 0 HA THR A 62 -6.835 3.025 -3.392 1.00 0.00 H new ATOM 0 HB THR A 62 -7.666 5.551 -4.682 1.00 0.00 H new ATOM 0 HG1 THR A 62 -9.224 4.491 -5.741 1.00 0.00 H new ATOM 0 HG21 THR A 62 -6.155 4.792 -6.494 1.00 0.00 H new ATOM 0 HG22 THR A 62 -5.357 4.813 -4.904 1.00 0.00 H new ATOM 0 HG23 THR A 62 -5.892 3.270 -5.610 1.00 0.00 H new ATOM 288 N THR A 63 -6.385 4.417 -1.366 1.00 0.00 N ATOM 289 CA THR A 63 -5.908 5.285 -0.291 1.00 0.00 C ATOM 290 C THR A 63 -4.382 5.303 -0.199 1.00 0.00 C ATOM 291 O THR A 63 -3.697 4.442 -0.759 1.00 0.00 O ATOM 292 CB THR A 63 -6.497 4.825 1.049 1.00 0.00 C ATOM 293 OG1 THR A 63 -6.730 5.932 1.900 1.00 0.00 O ATOM 294 CG2 THR A 63 -5.615 3.850 1.807 1.00 0.00 C ATOM 0 H THR A 63 -6.137 3.434 -1.254 1.00 0.00 H new ATOM 0 HA THR A 63 -6.239 6.298 -0.519 1.00 0.00 H new ATOM 0 HB THR A 63 -7.424 4.316 0.786 1.00 0.00 H new ATOM 0 HG1 THR A 63 -7.107 5.619 2.749 1.00 0.00 H new ATOM 0 HG21 THR A 63 -6.100 3.572 2.743 1.00 0.00 H new ATOM 0 HG22 THR A 63 -5.456 2.957 1.202 1.00 0.00 H new ATOM 0 HG23 THR A 63 -4.655 4.319 2.021 1.00 0.00 H new ATOM 302 N LEU A 64 -3.867 6.271 0.552 1.00 0.00 N ATOM 303 CA LEU A 64 -2.431 6.399 0.779 1.00 0.00 C ATOM 304 C LEU A 64 -2.140 6.143 2.253 1.00 0.00 C ATOM 305 O LEU A 64 -2.925 6.529 3.124 1.00 0.00 O ATOM 306 CB LEU A 64 -1.929 7.781 0.356 1.00 0.00 C ATOM 307 CG LEU A 64 -0.409 7.963 0.394 1.00 0.00 C ATOM 308 CD1 LEU A 64 0.079 8.619 -0.886 1.00 0.00 C ATOM 309 CD2 LEU A 64 0.000 8.789 1.601 1.00 0.00 C ATOM 0 H LEU A 64 -4.428 6.984 1.018 1.00 0.00 H new ATOM 0 HA LEU A 64 -1.903 5.664 0.172 1.00 0.00 H new ATOM 0 HB2 LEU A 64 -2.278 7.982 -0.657 1.00 0.00 H new ATOM 0 HB3 LEU A 64 -2.385 8.529 1.004 1.00 0.00 H new ATOM 0 HG LEU A 64 0.053 6.979 0.478 1.00 0.00 H new ATOM 0 HD11 LEU A 64 1.161 8.741 -0.843 1.00 0.00 H new ATOM 0 HD12 LEU A 64 -0.182 7.992 -1.739 1.00 0.00 H new ATOM 0 HD13 LEU A 64 -0.392 9.596 -0.997 1.00 0.00 H new ATOM 0 HD21 LEU A 64 1.084 8.907 1.611 1.00 0.00 H new ATOM 0 HD22 LEU A 64 -0.472 9.770 1.547 1.00 0.00 H new ATOM 0 HD23 LEU A 64 -0.318 8.283 2.513 1.00 0.00 H new ATOM 321 N ASP A 65 -1.039 5.462 2.529 1.00 0.00 N ATOM 322 CA ASP A 65 -0.686 5.125 3.905 1.00 0.00 C ATOM 323 C ASP A 65 0.503 5.950 4.428 1.00 0.00 C ATOM 324 O ASP A 65 0.961 6.888 3.773 1.00 0.00 O ATOM 325 CB ASP A 65 -0.418 3.612 3.997 1.00 0.00 C ATOM 326 CG ASP A 65 0.961 3.211 3.517 1.00 0.00 C ATOM 327 OD1 ASP A 65 1.943 3.470 4.242 1.00 0.00 O ATOM 328 OD2 ASP A 65 1.050 2.588 2.440 1.00 0.00 O ATOM 0 H ASP A 65 -0.377 5.132 1.827 1.00 0.00 H new ATOM 0 HA ASP A 65 -1.525 5.382 4.551 1.00 0.00 H new ATOM 0 HB2 ASP A 65 -0.541 3.292 5.032 1.00 0.00 H new ATOM 0 HB3 ASP A 65 -1.167 3.082 3.408 1.00 0.00 H new ATOM 333 N GLN A 66 0.978 5.588 5.625 1.00 0.00 N ATOM 334 CA GLN A 66 2.102 6.268 6.279 1.00 0.00 C ATOM 335 C GLN A 66 3.252 6.576 5.309 1.00 0.00 C ATOM 336 O GLN A 66 3.856 7.645 5.387 1.00 0.00 O ATOM 337 CB GLN A 66 2.615 5.408 7.441 1.00 0.00 C ATOM 338 CG GLN A 66 3.866 5.960 8.116 1.00 0.00 C ATOM 339 CD GLN A 66 3.870 5.741 9.617 1.00 0.00 C ATOM 340 OE1 GLN A 66 3.663 4.627 10.092 1.00 0.00 O ATOM 341 NE2 GLN A 66 4.103 6.801 10.374 1.00 0.00 N ATOM 0 H GLN A 66 0.594 4.815 6.168 1.00 0.00 H new ATOM 0 HA GLN A 66 1.733 7.224 6.650 1.00 0.00 H new ATOM 0 HB2 GLN A 66 1.825 5.313 8.186 1.00 0.00 H new ATOM 0 HB3 GLN A 66 2.827 4.405 7.071 1.00 0.00 H new ATOM 0 HG2 GLN A 66 4.746 5.486 7.682 1.00 0.00 H new ATOM 0 HG3 GLN A 66 3.944 7.027 7.909 1.00 0.00 H new ATOM 0 HE21 GLN A 66 4.271 7.710 9.942 1.00 0.00 H new ATOM 0 HE22 GLN A 66 4.115 6.710 11.390 1.00 0.00 H new ATOM 350 N ILE A 67 3.551 5.643 4.403 1.00 0.00 N ATOM 351 CA ILE A 67 4.629 5.841 3.435 1.00 0.00 C ATOM 352 C ILE A 67 4.080 6.126 2.036 1.00 0.00 C ATOM 353 O ILE A 67 2.936 5.794 1.724 1.00 0.00 O ATOM 354 CB ILE A 67 5.598 4.633 3.364 1.00 0.00 C ATOM 355 CG1 ILE A 67 4.852 3.302 3.459 1.00 0.00 C ATOM 356 CG2 ILE A 67 6.644 4.727 4.462 1.00 0.00 C ATOM 357 CD1 ILE A 67 4.159 2.905 2.176 1.00 0.00 C ATOM 0 H ILE A 67 3.066 4.750 4.320 1.00 0.00 H new ATOM 0 HA ILE A 67 5.189 6.706 3.790 1.00 0.00 H new ATOM 0 HB ILE A 67 6.094 4.668 2.394 1.00 0.00 H new ATOM 0 HG12 ILE A 67 5.557 2.519 3.739 1.00 0.00 H new ATOM 0 HG13 ILE A 67 4.112 3.366 4.257 1.00 0.00 H new ATOM 0 HG21 ILE A 67 7.316 3.871 4.398 1.00 0.00 H new ATOM 0 HG22 ILE A 67 7.216 5.647 4.342 1.00 0.00 H new ATOM 0 HG23 ILE A 67 6.152 4.730 5.434 1.00 0.00 H new ATOM 0 HD11 ILE A 67 3.651 1.951 2.317 1.00 0.00 H new ATOM 0 HD12 ILE A 67 3.430 3.668 1.905 1.00 0.00 H new ATOM 0 HD13 ILE A 67 4.896 2.809 1.379 1.00 0.00 H new ATOM 369 N GLY A 68 4.913 6.747 1.196 1.00 0.00 N ATOM 370 CA GLY A 68 4.509 7.073 -0.166 1.00 0.00 C ATOM 371 C GLY A 68 4.092 5.850 -0.963 1.00 0.00 C ATOM 372 O GLY A 68 4.915 5.217 -1.629 1.00 0.00 O ATOM 0 H GLY A 68 5.863 7.030 1.437 1.00 0.00 H new ATOM 0 HA2 GLY A 68 3.681 7.781 -0.135 1.00 0.00 H new ATOM 0 HA3 GLY A 68 5.334 7.570 -0.676 1.00 0.00 H new ATOM 376 N THR A 69 2.809 5.507 -0.878 1.00 0.00 N ATOM 377 CA THR A 69 2.266 4.344 -1.582 1.00 0.00 C ATOM 378 C THR A 69 0.736 4.351 -1.528 1.00 0.00 C ATOM 379 O THR A 69 0.141 4.482 -0.455 1.00 0.00 O ATOM 380 CB THR A 69 2.842 3.052 -0.980 1.00 0.00 C ATOM 381 OG1 THR A 69 4.090 2.743 -1.586 1.00 0.00 O ATOM 382 CG2 THR A 69 1.949 1.836 -1.132 1.00 0.00 C ATOM 0 H THR A 69 2.121 6.020 -0.326 1.00 0.00 H new ATOM 0 HA THR A 69 2.559 4.392 -2.631 1.00 0.00 H new ATOM 0 HB THR A 69 2.941 3.260 0.085 1.00 0.00 H new ATOM 0 HG1 THR A 69 4.485 3.560 -1.956 1.00 0.00 H new ATOM 0 HG21 THR A 69 2.433 0.970 -0.680 1.00 0.00 H new ATOM 0 HG22 THR A 69 0.996 2.020 -0.635 1.00 0.00 H new ATOM 0 HG23 THR A 69 1.775 1.642 -2.190 1.00 0.00 H new ATOM 390 N CYS A 70 0.109 4.227 -2.696 1.00 0.00 N ATOM 391 CA CYS A 70 -1.355 4.234 -2.796 1.00 0.00 C ATOM 392 C CYS A 70 -1.907 2.825 -2.996 1.00 0.00 C ATOM 393 O CYS A 70 -1.436 2.078 -3.854 1.00 0.00 O ATOM 394 CB CYS A 70 -1.803 5.132 -3.951 1.00 0.00 C ATOM 395 SG CYS A 70 -3.463 5.849 -3.738 1.00 0.00 S ATOM 0 H CYS A 70 0.590 4.120 -3.589 1.00 0.00 H new ATOM 0 HA CYS A 70 -1.749 4.625 -1.858 1.00 0.00 H new ATOM 0 HB2 CYS A 70 -1.082 5.941 -4.068 1.00 0.00 H new ATOM 0 HB3 CYS A 70 -1.785 4.553 -4.874 1.00 0.00 H new ATOM 400 N TRP A 71 -2.912 2.472 -2.197 1.00 0.00 N ATOM 401 CA TRP A 71 -3.539 1.153 -2.276 1.00 0.00 C ATOM 402 C TRP A 71 -4.957 1.254 -2.852 1.00 0.00 C ATOM 403 O TRP A 71 -5.888 1.662 -2.157 1.00 0.00 O ATOM 404 CB TRP A 71 -3.563 0.504 -0.885 1.00 0.00 C ATOM 405 CG TRP A 71 -2.223 0.502 -0.210 1.00 0.00 C ATOM 406 CD1 TRP A 71 -1.720 1.466 0.622 1.00 0.00 C ATOM 407 CD2 TRP A 71 -1.212 -0.506 -0.316 1.00 0.00 C ATOM 408 NE1 TRP A 71 -0.452 1.117 1.030 1.00 0.00 N ATOM 409 CE2 TRP A 71 -0.121 -0.091 0.470 1.00 0.00 C ATOM 410 CE3 TRP A 71 -1.122 -1.723 -1.003 1.00 0.00 C ATOM 411 CZ2 TRP A 71 1.043 -0.847 0.589 1.00 0.00 C ATOM 412 CZ3 TRP A 71 0.033 -2.473 -0.882 1.00 0.00 C ATOM 413 CH2 TRP A 71 1.103 -2.034 -0.092 1.00 0.00 C ATOM 0 H TRP A 71 -3.311 3.083 -1.485 1.00 0.00 H new ATOM 0 HA TRP A 71 -2.951 0.527 -2.948 1.00 0.00 H new ATOM 0 HB2 TRP A 71 -4.278 1.034 -0.256 1.00 0.00 H new ATOM 0 HB3 TRP A 71 -3.918 -0.522 -0.976 1.00 0.00 H new ATOM 0 HD1 TRP A 71 -2.240 2.366 0.915 1.00 0.00 H new ATOM 0 HE1 TRP A 71 0.144 1.667 1.648 1.00 0.00 H new ATOM 0 HE3 TRP A 71 -1.940 -2.070 -1.617 1.00 0.00 H new ATOM 0 HZ2 TRP A 71 1.869 -0.509 1.197 1.00 0.00 H new ATOM 0 HZ3 TRP A 71 0.112 -3.414 -1.406 1.00 0.00 H new ATOM 0 HH2 TRP A 71 1.992 -2.643 -0.018 1.00 0.00 H new ATOM 424 N PRO A 72 -5.129 0.893 -4.143 1.00 0.00 N ATOM 425 CA PRO A 72 -6.435 0.956 -4.827 1.00 0.00 C ATOM 426 C PRO A 72 -7.478 -0.004 -4.245 1.00 0.00 C ATOM 427 O PRO A 72 -7.173 -0.829 -3.381 1.00 0.00 O ATOM 428 CB PRO A 72 -6.105 0.563 -6.272 1.00 0.00 C ATOM 429 CG PRO A 72 -4.828 -0.197 -6.184 1.00 0.00 C ATOM 430 CD PRO A 72 -4.064 0.407 -5.041 1.00 0.00 C ATOM 0 HA PRO A 72 -6.883 1.944 -4.721 1.00 0.00 H new ATOM 0 HB2 PRO A 72 -6.898 -0.047 -6.706 1.00 0.00 H new ATOM 0 HB3 PRO A 72 -5.997 1.443 -6.905 1.00 0.00 H new ATOM 0 HG2 PRO A 72 -5.016 -1.257 -6.011 1.00 0.00 H new ATOM 0 HG3 PRO A 72 -4.264 -0.121 -7.114 1.00 0.00 H new ATOM 0 HD2 PRO A 72 -3.427 -0.328 -4.549 1.00 0.00 H new ATOM 0 HD3 PRO A 72 -3.416 1.218 -5.374 1.00 0.00 H new ATOM 438 N GLN A 73 -8.711 0.112 -4.742 1.00 0.00 N ATOM 439 CA GLN A 73 -9.812 -0.742 -4.297 1.00 0.00 C ATOM 440 C GLN A 73 -9.583 -2.189 -4.743 1.00 0.00 C ATOM 441 O GLN A 73 -9.043 -2.439 -5.822 1.00 0.00 O ATOM 442 CB GLN A 73 -11.146 -0.203 -4.841 1.00 0.00 C ATOM 443 CG GLN A 73 -12.279 -1.225 -4.867 1.00 0.00 C ATOM 444 CD GLN A 73 -12.280 -2.081 -6.119 1.00 0.00 C ATOM 445 OE1 GLN A 73 -12.297 -3.304 -6.042 1.00 0.00 O ATOM 446 NE2 GLN A 73 -12.264 -1.444 -7.280 1.00 0.00 N ATOM 0 H GLN A 73 -8.972 0.792 -5.456 1.00 0.00 H new ATOM 0 HA GLN A 73 -9.852 -0.730 -3.208 1.00 0.00 H new ATOM 0 HB2 GLN A 73 -11.455 0.647 -4.233 1.00 0.00 H new ATOM 0 HB3 GLN A 73 -10.987 0.170 -5.853 1.00 0.00 H new ATOM 0 HG2 GLN A 73 -12.198 -1.871 -3.993 1.00 0.00 H new ATOM 0 HG3 GLN A 73 -13.233 -0.703 -4.790 1.00 0.00 H new ATOM 0 HE21 GLN A 73 -12.250 -0.424 -7.302 1.00 0.00 H new ATOM 0 HE22 GLN A 73 -12.266 -1.973 -8.152 1.00 0.00 H new ATOM 455 N SER A 74 -9.988 -3.137 -3.902 1.00 0.00 N ATOM 456 CA SER A 74 -9.817 -4.559 -4.208 1.00 0.00 C ATOM 457 C SER A 74 -10.958 -5.394 -3.631 1.00 0.00 C ATOM 458 O SER A 74 -11.788 -5.928 -4.367 1.00 0.00 O ATOM 459 CB SER A 74 -8.477 -5.057 -3.658 1.00 0.00 C ATOM 460 OG SER A 74 -7.945 -6.088 -4.473 1.00 0.00 O ATOM 0 H SER A 74 -10.436 -2.950 -3.005 1.00 0.00 H new ATOM 0 HA SER A 74 -9.830 -4.672 -5.292 1.00 0.00 H new ATOM 0 HB2 SER A 74 -7.771 -4.228 -3.606 1.00 0.00 H new ATOM 0 HB3 SER A 74 -8.612 -5.425 -2.641 1.00 0.00 H new ATOM 0 HG SER A 74 -7.089 -6.389 -4.103 1.00 0.00 H new ATOM 466 N ALA A 75 -10.976 -5.503 -2.304 1.00 0.00 N ATOM 467 CA ALA A 75 -11.991 -6.273 -1.592 1.00 0.00 C ATOM 468 C ALA A 75 -11.805 -6.121 -0.082 1.00 0.00 C ATOM 469 O ALA A 75 -10.684 -5.913 0.388 1.00 0.00 O ATOM 470 CB ALA A 75 -11.916 -7.741 -1.990 1.00 0.00 C ATOM 0 H ALA A 75 -10.288 -5.061 -1.694 1.00 0.00 H new ATOM 0 HA ALA A 75 -12.975 -5.890 -1.863 1.00 0.00 H new ATOM 0 HB1 ALA A 75 -12.679 -8.303 -1.451 1.00 0.00 H new ATOM 0 HB2 ALA A 75 -12.085 -7.836 -3.063 1.00 0.00 H new ATOM 0 HB3 ALA A 75 -10.931 -8.136 -1.741 1.00 0.00 H new ATOM 476 N PRO A 76 -12.892 -6.227 0.702 1.00 0.00 N ATOM 477 CA PRO A 76 -12.812 -6.107 2.155 1.00 0.00 C ATOM 478 C PRO A 76 -12.273 -7.387 2.791 1.00 0.00 C ATOM 479 O PRO A 76 -12.909 -8.441 2.730 1.00 0.00 O ATOM 480 CB PRO A 76 -14.260 -5.843 2.566 1.00 0.00 C ATOM 481 CG PRO A 76 -15.089 -6.485 1.508 1.00 0.00 C ATOM 482 CD PRO A 76 -14.270 -6.482 0.240 1.00 0.00 C ATOM 0 HA PRO A 76 -12.130 -5.322 2.480 1.00 0.00 H new ATOM 0 HB2 PRO A 76 -14.475 -6.268 3.547 1.00 0.00 H new ATOM 0 HB3 PRO A 76 -14.462 -4.774 2.630 1.00 0.00 H new ATOM 0 HG2 PRO A 76 -15.355 -7.503 1.792 1.00 0.00 H new ATOM 0 HG3 PRO A 76 -16.022 -5.939 1.365 1.00 0.00 H new ATOM 0 HD2 PRO A 76 -14.345 -7.434 -0.285 1.00 0.00 H new ATOM 0 HD3 PRO A 76 -14.608 -5.710 -0.451 1.00 0.00 H new ATOM 490 N GLY A 77 -11.086 -7.292 3.380 1.00 0.00 N ATOM 491 CA GLY A 77 -10.461 -8.450 3.998 1.00 0.00 C ATOM 492 C GLY A 77 -9.502 -9.144 3.053 1.00 0.00 C ATOM 493 O GLY A 77 -9.591 -10.354 2.846 1.00 0.00 O ATOM 0 H GLY A 77 -10.543 -6.431 3.441 1.00 0.00 H new ATOM 0 HA2 GLY A 77 -9.926 -8.138 4.895 1.00 0.00 H new ATOM 0 HA3 GLY A 77 -11.231 -9.153 4.315 1.00 0.00 H new ATOM 497 N ALA A 78 -8.585 -8.372 2.474 1.00 0.00 N ATOM 498 CA ALA A 78 -7.605 -8.898 1.544 1.00 0.00 C ATOM 499 C ALA A 78 -6.239 -8.277 1.798 1.00 0.00 C ATOM 500 O ALA A 78 -6.092 -7.361 2.607 1.00 0.00 O ATOM 501 CB ALA A 78 -8.053 -8.640 0.111 1.00 0.00 C ATOM 0 H ALA A 78 -8.506 -7.369 2.640 1.00 0.00 H new ATOM 0 HA ALA A 78 -7.522 -9.974 1.695 1.00 0.00 H new ATOM 0 HB1 ALA A 78 -7.310 -9.039 -0.580 1.00 0.00 H new ATOM 0 HB2 ALA A 78 -9.011 -9.129 -0.064 1.00 0.00 H new ATOM 0 HB3 ALA A 78 -8.159 -7.567 -0.050 1.00 0.00 H new ATOM 507 N LEU A 79 -5.250 -8.794 1.106 1.00 0.00 N ATOM 508 CA LEU A 79 -3.877 -8.318 1.237 1.00 0.00 C ATOM 509 C LEU A 79 -3.243 -8.036 -0.128 1.00 0.00 C ATOM 510 O LEU A 79 -3.550 -8.704 -1.117 1.00 0.00 O ATOM 511 CB LEU A 79 -3.049 -9.351 2.007 1.00 0.00 C ATOM 512 CG LEU A 79 -1.579 -8.985 2.215 1.00 0.00 C ATOM 513 CD1 LEU A 79 -1.111 -9.424 3.593 1.00 0.00 C ATOM 514 CD2 LEU A 79 -0.722 -9.618 1.131 1.00 0.00 C ATOM 0 H LEU A 79 -5.366 -9.554 0.436 1.00 0.00 H new ATOM 0 HA LEU A 79 -3.893 -7.378 1.788 1.00 0.00 H new ATOM 0 HB2 LEU A 79 -3.509 -9.507 2.983 1.00 0.00 H new ATOM 0 HB3 LEU A 79 -3.098 -10.301 1.475 1.00 0.00 H new ATOM 0 HG LEU A 79 -1.476 -7.902 2.149 1.00 0.00 H new ATOM 0 HD11 LEU A 79 -0.063 -9.156 3.724 1.00 0.00 H new ATOM 0 HD12 LEU A 79 -1.711 -8.928 4.356 1.00 0.00 H new ATOM 0 HD13 LEU A 79 -1.224 -10.504 3.689 1.00 0.00 H new ATOM 0 HD21 LEU A 79 0.322 -9.350 1.290 1.00 0.00 H new ATOM 0 HD22 LEU A 79 -0.828 -10.702 1.170 1.00 0.00 H new ATOM 0 HD23 LEU A 79 -1.045 -9.256 0.155 1.00 0.00 H new ATOM 526 N VAL A 80 -2.356 -7.040 -0.168 1.00 0.00 N ATOM 527 CA VAL A 80 -1.669 -6.661 -1.404 1.00 0.00 C ATOM 528 C VAL A 80 -0.156 -6.569 -1.189 1.00 0.00 C ATOM 529 O VAL A 80 0.324 -5.815 -0.342 1.00 0.00 O ATOM 530 CB VAL A 80 -2.187 -5.319 -1.959 1.00 0.00 C ATOM 531 CG1 VAL A 80 -1.593 -5.041 -3.332 1.00 0.00 C ATOM 532 CG2 VAL A 80 -3.706 -5.316 -2.026 1.00 0.00 C ATOM 0 H VAL A 80 -2.096 -6.480 0.644 1.00 0.00 H new ATOM 0 HA VAL A 80 -1.882 -7.444 -2.132 1.00 0.00 H new ATOM 0 HB VAL A 80 -1.872 -4.526 -1.281 1.00 0.00 H new ATOM 0 HG11 VAL A 80 -1.971 -4.090 -3.706 1.00 0.00 H new ATOM 0 HG12 VAL A 80 -0.507 -4.995 -3.256 1.00 0.00 H new ATOM 0 HG13 VAL A 80 -1.875 -5.839 -4.019 1.00 0.00 H new ATOM 0 HG21 VAL A 80 -4.051 -4.360 -2.420 1.00 0.00 H new ATOM 0 HG22 VAL A 80 -4.043 -6.121 -2.679 1.00 0.00 H new ATOM 0 HG23 VAL A 80 -4.115 -5.465 -1.027 1.00 0.00 H new ATOM 542 N GLU A 81 0.576 -7.355 -1.968 1.00 0.00 N ATOM 543 CA GLU A 81 2.041 -7.410 -1.896 1.00 0.00 C ATOM 544 C GLU A 81 2.699 -6.238 -2.636 1.00 0.00 C ATOM 545 O GLU A 81 2.029 -5.469 -3.329 1.00 0.00 O ATOM 546 CB GLU A 81 2.538 -8.747 -2.463 1.00 0.00 C ATOM 547 CG GLU A 81 2.118 -8.998 -3.906 1.00 0.00 C ATOM 548 CD GLU A 81 0.772 -9.690 -4.025 1.00 0.00 C ATOM 549 OE1 GLU A 81 -0.259 -9.023 -3.790 1.00 0.00 O ATOM 550 OE2 GLU A 81 0.750 -10.894 -4.352 1.00 0.00 O ATOM 0 H GLU A 81 0.175 -7.976 -2.671 1.00 0.00 H new ATOM 0 HA GLU A 81 2.327 -7.329 -0.847 1.00 0.00 H new ATOM 0 HB2 GLU A 81 3.626 -8.775 -2.401 1.00 0.00 H new ATOM 0 HB3 GLU A 81 2.162 -9.558 -1.839 1.00 0.00 H new ATOM 0 HG2 GLU A 81 2.079 -8.047 -4.437 1.00 0.00 H new ATOM 0 HG3 GLU A 81 2.877 -9.606 -4.398 1.00 0.00 H new ATOM 557 N ARG A 82 4.021 -6.107 -2.470 1.00 0.00 N ATOM 558 CA ARG A 82 4.783 -5.028 -3.108 1.00 0.00 C ATOM 559 C ARG A 82 6.280 -5.122 -2.775 1.00 0.00 C ATOM 560 O ARG A 82 6.656 -5.640 -1.722 1.00 0.00 O ATOM 561 CB ARG A 82 4.245 -3.666 -2.653 1.00 0.00 C ATOM 562 CG ARG A 82 3.625 -2.848 -3.774 1.00 0.00 C ATOM 563 CD ARG A 82 3.168 -1.485 -3.279 1.00 0.00 C ATOM 564 NE ARG A 82 3.589 -0.401 -4.175 1.00 0.00 N ATOM 565 CZ ARG A 82 4.849 -0.025 -4.354 1.00 0.00 C ATOM 566 NH1 ARG A 82 5.835 -0.649 -3.736 1.00 0.00 N ATOM 567 NH2 ARG A 82 5.125 0.975 -5.168 1.00 0.00 N ATOM 0 H ARG A 82 4.585 -6.736 -1.898 1.00 0.00 H new ATOM 0 HA ARG A 82 4.665 -5.132 -4.187 1.00 0.00 H new ATOM 0 HB2 ARG A 82 3.499 -3.822 -1.874 1.00 0.00 H new ATOM 0 HB3 ARG A 82 5.059 -3.095 -2.206 1.00 0.00 H new ATOM 0 HG2 ARG A 82 4.350 -2.720 -4.577 1.00 0.00 H new ATOM 0 HG3 ARG A 82 2.776 -3.388 -4.194 1.00 0.00 H new ATOM 0 HD2 ARG A 82 2.082 -1.478 -3.189 1.00 0.00 H new ATOM 0 HD3 ARG A 82 3.572 -1.308 -2.282 1.00 0.00 H new ATOM 0 HE ARG A 82 2.865 0.096 -4.694 1.00 0.00 H new ATOM 0 HH11 ARG A 82 5.633 -1.430 -3.112 1.00 0.00 H new ATOM 0 HH12 ARG A 82 6.799 -0.350 -3.882 1.00 0.00 H new ATOM 0 HH21 ARG A 82 4.371 1.457 -5.658 1.00 0.00 H new ATOM 0 HH22 ARG A 82 6.092 1.267 -5.308 1.00 0.00 H new ATOM 581 N PRO A 83 7.154 -4.613 -3.668 1.00 0.00 N ATOM 582 CA PRO A 83 8.605 -4.628 -3.464 1.00 0.00 C ATOM 583 C PRO A 83 9.095 -3.408 -2.674 1.00 0.00 C ATOM 584 O PRO A 83 8.372 -2.413 -2.541 1.00 0.00 O ATOM 585 CB PRO A 83 9.128 -4.590 -4.895 1.00 0.00 C ATOM 586 CG PRO A 83 8.132 -3.758 -5.632 1.00 0.00 C ATOM 587 CD PRO A 83 6.798 -3.974 -4.952 1.00 0.00 C ATOM 0 HA PRO A 83 8.943 -5.486 -2.883 1.00 0.00 H new ATOM 0 HB2 PRO A 83 10.125 -4.151 -4.942 1.00 0.00 H new ATOM 0 HB3 PRO A 83 9.200 -5.592 -5.319 1.00 0.00 H new ATOM 0 HG2 PRO A 83 8.413 -2.705 -5.607 1.00 0.00 H new ATOM 0 HG3 PRO A 83 8.084 -4.050 -6.681 1.00 0.00 H new ATOM 0 HD2 PRO A 83 6.271 -3.032 -4.797 1.00 0.00 H new ATOM 0 HD3 PRO A 83 6.144 -4.611 -5.548 1.00 0.00 H new ATOM 595 N CYS A 84 10.320 -3.488 -2.148 1.00 0.00 N ATOM 596 CA CYS A 84 10.897 -2.384 -1.373 1.00 0.00 C ATOM 597 C CYS A 84 11.028 -1.114 -2.219 1.00 0.00 C ATOM 598 O CYS A 84 11.259 -1.177 -3.429 1.00 0.00 O ATOM 599 CB CYS A 84 12.262 -2.775 -0.796 1.00 0.00 C ATOM 600 SG CYS A 84 12.289 -2.888 1.024 1.00 0.00 S ATOM 0 H CYS A 84 10.929 -4.300 -2.243 1.00 0.00 H new ATOM 0 HA CYS A 84 10.215 -2.175 -0.549 1.00 0.00 H new ATOM 0 HB2 CYS A 84 12.561 -3.736 -1.215 1.00 0.00 H new ATOM 0 HB3 CYS A 84 13.004 -2.043 -1.116 1.00 0.00 H new ATOM 605 N PRO A 85 10.868 0.065 -1.581 1.00 0.00 N ATOM 606 CA PRO A 85 10.952 1.369 -2.266 1.00 0.00 C ATOM 607 C PRO A 85 12.346 1.675 -2.842 1.00 0.00 C ATOM 608 O PRO A 85 12.455 2.329 -3.879 1.00 0.00 O ATOM 609 CB PRO A 85 10.579 2.370 -1.165 1.00 0.00 C ATOM 610 CG PRO A 85 10.865 1.667 0.114 1.00 0.00 C ATOM 611 CD PRO A 85 10.575 0.218 -0.143 1.00 0.00 C ATOM 0 HA PRO A 85 10.298 1.404 -3.138 1.00 0.00 H new ATOM 0 HB2 PRO A 85 11.164 3.286 -1.251 1.00 0.00 H new ATOM 0 HB3 PRO A 85 9.529 2.655 -1.231 1.00 0.00 H new ATOM 0 HG2 PRO A 85 11.902 1.811 0.416 1.00 0.00 H new ATOM 0 HG3 PRO A 85 10.242 2.054 0.921 1.00 0.00 H new ATOM 0 HD2 PRO A 85 11.202 -0.432 0.467 1.00 0.00 H new ATOM 0 HD3 PRO A 85 9.539 -0.032 0.086 1.00 0.00 H new ATOM 619 N GLU A 86 13.399 1.195 -2.170 1.00 0.00 N ATOM 620 CA GLU A 86 14.784 1.411 -2.614 1.00 0.00 C ATOM 621 C GLU A 86 15.169 2.901 -2.586 1.00 0.00 C ATOM 622 O GLU A 86 15.571 3.419 -1.540 1.00 0.00 O ATOM 623 CB GLU A 86 14.991 0.803 -4.010 1.00 0.00 C ATOM 624 CG GLU A 86 16.363 1.084 -4.621 1.00 0.00 C ATOM 625 CD GLU A 86 16.283 1.518 -6.073 1.00 0.00 C ATOM 626 OE1 GLU A 86 15.516 2.457 -6.368 1.00 0.00 O ATOM 627 OE2 GLU A 86 16.988 0.921 -6.914 1.00 0.00 O ATOM 0 H GLU A 86 13.319 0.651 -1.311 1.00 0.00 H new ATOM 0 HA GLU A 86 15.448 0.904 -1.913 1.00 0.00 H new ATOM 0 HB2 GLU A 86 14.848 -0.276 -3.949 1.00 0.00 H new ATOM 0 HB3 GLU A 86 14.222 1.189 -4.679 1.00 0.00 H new ATOM 0 HG2 GLU A 86 16.861 1.861 -4.041 1.00 0.00 H new ATOM 0 HG3 GLU A 86 16.979 0.187 -4.548 1.00 0.00 H new ATOM 634 N TYR A 87 15.059 3.592 -3.727 1.00 0.00 N ATOM 635 CA TYR A 87 15.413 5.014 -3.809 1.00 0.00 C ATOM 636 C TYR A 87 14.389 5.895 -3.085 1.00 0.00 C ATOM 637 O TYR A 87 13.683 6.693 -3.708 1.00 0.00 O ATOM 638 CB TYR A 87 15.536 5.442 -5.280 1.00 0.00 C ATOM 639 CG TYR A 87 16.643 6.442 -5.541 1.00 0.00 C ATOM 640 CD1 TYR A 87 17.934 6.018 -5.826 1.00 0.00 C ATOM 641 CD2 TYR A 87 16.393 7.808 -5.508 1.00 0.00 C ATOM 642 CE1 TYR A 87 18.948 6.929 -6.070 1.00 0.00 C ATOM 643 CE2 TYR A 87 17.400 8.725 -5.752 1.00 0.00 C ATOM 644 CZ TYR A 87 18.675 8.279 -6.033 1.00 0.00 C ATOM 645 OH TYR A 87 19.681 9.186 -6.279 1.00 0.00 O ATOM 0 H TYR A 87 14.728 3.190 -4.604 1.00 0.00 H new ATOM 0 HA TYR A 87 16.374 5.148 -3.312 1.00 0.00 H new ATOM 0 HB2 TYR A 87 15.709 4.557 -5.892 1.00 0.00 H new ATOM 0 HB3 TYR A 87 14.588 5.873 -5.603 1.00 0.00 H new ATOM 0 HD1 TYR A 87 18.151 4.960 -5.858 1.00 0.00 H new ATOM 0 HD2 TYR A 87 15.396 8.160 -5.288 1.00 0.00 H new ATOM 0 HE1 TYR A 87 19.948 6.583 -6.288 1.00 0.00 H new ATOM 0 HE2 TYR A 87 17.189 9.784 -5.723 1.00 0.00 H new ATOM 0 HH TYR A 87 19.323 10.096 -6.216 1.00 0.00 H new ATOM 655 N PHE A 88 14.310 5.747 -1.763 1.00 0.00 N ATOM 656 CA PHE A 88 13.369 6.532 -0.955 1.00 0.00 C ATOM 657 C PHE A 88 14.013 7.061 0.341 1.00 0.00 C ATOM 658 O PHE A 88 13.311 7.546 1.229 1.00 0.00 O ATOM 659 CB PHE A 88 12.138 5.683 -0.618 1.00 0.00 C ATOM 660 CG PHE A 88 11.081 5.697 -1.691 1.00 0.00 C ATOM 661 CD1 PHE A 88 11.259 4.988 -2.866 1.00 0.00 C ATOM 662 CD2 PHE A 88 9.909 6.418 -1.519 1.00 0.00 C ATOM 663 CE1 PHE A 88 10.289 4.995 -3.851 1.00 0.00 C ATOM 664 CE2 PHE A 88 8.938 6.429 -2.501 1.00 0.00 C ATOM 665 CZ PHE A 88 9.128 5.717 -3.668 1.00 0.00 C ATOM 0 H PHE A 88 14.883 5.094 -1.228 1.00 0.00 H new ATOM 0 HA PHE A 88 13.072 7.397 -1.548 1.00 0.00 H new ATOM 0 HB2 PHE A 88 12.454 4.654 -0.445 1.00 0.00 H new ATOM 0 HB3 PHE A 88 11.702 6.044 0.314 1.00 0.00 H new ATOM 0 HD1 PHE A 88 12.167 4.422 -3.015 1.00 0.00 H new ATOM 0 HD2 PHE A 88 9.754 6.977 -0.608 1.00 0.00 H new ATOM 0 HE1 PHE A 88 10.440 4.436 -4.763 1.00 0.00 H new ATOM 0 HE2 PHE A 88 8.030 6.995 -2.356 1.00 0.00 H new ATOM 0 HZ PHE A 88 8.369 5.725 -4.436 1.00 0.00 H new ATOM 675 N ASN A 89 15.342 6.972 0.444 1.00 0.00 N ATOM 676 CA ASN A 89 16.061 7.442 1.630 1.00 0.00 C ATOM 677 C ASN A 89 17.520 7.758 1.293 1.00 0.00 C ATOM 678 O ASN A 89 17.912 7.723 0.126 1.00 0.00 O ATOM 679 CB ASN A 89 16.001 6.376 2.734 1.00 0.00 C ATOM 680 CG ASN A 89 14.765 6.493 3.603 1.00 0.00 C ATOM 681 OD1 ASN A 89 13.924 5.597 3.616 1.00 0.00 O ATOM 682 ND2 ASN A 89 14.650 7.590 4.337 1.00 0.00 N ATOM 0 H ASN A 89 15.942 6.578 -0.281 1.00 0.00 H new ATOM 0 HA ASN A 89 15.583 8.356 1.982 1.00 0.00 H new ATOM 0 HB2 ASN A 89 16.025 5.386 2.278 1.00 0.00 H new ATOM 0 HB3 ASN A 89 16.889 6.460 3.361 1.00 0.00 H new ATOM 0 HD21 ASN A 89 13.839 7.715 4.943 1.00 0.00 H new ATOM 0 HD22 ASN A 89 15.372 8.309 4.296 1.00 0.00 H new ATOM 689 N GLY A 90 18.326 8.045 2.320 1.00 0.00 N ATOM 690 CA GLY A 90 19.737 8.334 2.105 1.00 0.00 C ATOM 691 C GLY A 90 20.467 7.191 1.415 1.00 0.00 C ATOM 692 O GLY A 90 21.474 7.410 0.741 1.00 0.00 O ATOM 0 H GLY A 90 18.026 8.082 3.294 1.00 0.00 H new ATOM 0 HA2 GLY A 90 19.832 9.238 1.503 1.00 0.00 H new ATOM 0 HA3 GLY A 90 20.213 8.539 3.064 1.00 0.00 H new ATOM 696 N ILE A 91 19.950 5.969 1.576 1.00 0.00 N ATOM 697 CA ILE A 91 20.545 4.789 0.957 1.00 0.00 C ATOM 698 C ILE A 91 19.516 4.015 0.129 1.00 0.00 C ATOM 699 O ILE A 91 18.310 4.113 0.365 1.00 0.00 O ATOM 700 CB ILE A 91 21.162 3.839 2.008 1.00 0.00 C ATOM 701 CG1 ILE A 91 22.133 2.881 1.325 1.00 0.00 C ATOM 702 CG2 ILE A 91 20.078 3.059 2.743 1.00 0.00 C ATOM 703 CD1 ILE A 91 22.895 1.999 2.281 1.00 0.00 C ATOM 0 H ILE A 91 19.118 5.775 2.133 1.00 0.00 H new ATOM 0 HA ILE A 91 21.337 5.152 0.302 1.00 0.00 H new ATOM 0 HB ILE A 91 21.701 4.436 2.743 1.00 0.00 H new ATOM 0 HG12 ILE A 91 21.578 2.252 0.629 1.00 0.00 H new ATOM 0 HG13 ILE A 91 22.844 3.459 0.735 1.00 0.00 H new ATOM 0 HG21 ILE A 91 20.539 2.398 3.477 1.00 0.00 H new ATOM 0 HG22 ILE A 91 19.410 3.755 3.251 1.00 0.00 H new ATOM 0 HG23 ILE A 91 19.508 2.466 2.028 1.00 0.00 H new ATOM 0 HD11 ILE A 91 23.564 1.347 1.720 1.00 0.00 H new ATOM 0 HD12 ILE A 91 23.479 2.619 2.961 1.00 0.00 H new ATOM 0 HD13 ILE A 91 22.194 1.393 2.854 1.00 0.00 H new ATOM 715 N LYS A 92 20.005 3.237 -0.834 1.00 0.00 N ATOM 716 CA LYS A 92 19.138 2.437 -1.694 1.00 0.00 C ATOM 717 C LYS A 92 18.996 1.007 -1.156 1.00 0.00 C ATOM 718 O LYS A 92 19.461 0.045 -1.772 1.00 0.00 O ATOM 719 CB LYS A 92 19.675 2.429 -3.134 1.00 0.00 C ATOM 720 CG LYS A 92 21.065 1.825 -3.301 1.00 0.00 C ATOM 721 CD LYS A 92 22.168 2.867 -3.149 1.00 0.00 C ATOM 722 CE LYS A 92 23.292 2.351 -2.265 1.00 0.00 C ATOM 723 NZ LYS A 92 24.562 3.096 -2.480 1.00 0.00 N ATOM 0 H LYS A 92 21.000 3.144 -1.038 1.00 0.00 H new ATOM 0 HA LYS A 92 18.147 2.890 -1.697 1.00 0.00 H new ATOM 0 HB2 LYS A 92 18.977 1.876 -3.763 1.00 0.00 H new ATOM 0 HB3 LYS A 92 19.694 3.454 -3.504 1.00 0.00 H new ATOM 0 HG2 LYS A 92 21.208 1.037 -2.562 1.00 0.00 H new ATOM 0 HG3 LYS A 92 21.141 1.359 -4.283 1.00 0.00 H new ATOM 0 HD2 LYS A 92 22.564 3.127 -4.131 1.00 0.00 H new ATOM 0 HD3 LYS A 92 21.754 3.779 -2.720 1.00 0.00 H new ATOM 0 HE2 LYS A 92 22.997 2.434 -1.219 1.00 0.00 H new ATOM 0 HE3 LYS A 92 23.455 1.292 -2.468 1.00 0.00 H new ATOM 0 HZ1 LYS A 92 25.300 2.711 -1.857 1.00 0.00 H new ATOM 0 HZ2 LYS A 92 24.859 2.997 -3.472 1.00 0.00 H new ATOM 0 HZ3 LYS A 92 24.415 4.102 -2.262 1.00 0.00 H new ATOM 737 N TYR A 93 18.355 0.875 0.009 1.00 0.00 N ATOM 738 CA TYR A 93 18.163 -0.437 0.640 1.00 0.00 C ATOM 739 C TYR A 93 17.586 -1.467 -0.336 1.00 0.00 C ATOM 740 O TYR A 93 16.918 -1.118 -1.312 1.00 0.00 O ATOM 741 CB TYR A 93 17.272 -0.354 1.892 1.00 0.00 C ATOM 742 CG TYR A 93 16.261 0.774 1.905 1.00 0.00 C ATOM 743 CD1 TYR A 93 15.336 0.923 0.881 1.00 0.00 C ATOM 744 CD2 TYR A 93 16.228 1.676 2.957 1.00 0.00 C ATOM 745 CE1 TYR A 93 14.405 1.944 0.908 1.00 0.00 C ATOM 746 CE2 TYR A 93 15.303 2.701 2.991 1.00 0.00 C ATOM 747 CZ TYR A 93 14.391 2.830 1.962 1.00 0.00 C ATOM 748 OH TYR A 93 13.452 3.839 1.987 1.00 0.00 O ATOM 0 H TYR A 93 17.961 1.656 0.534 1.00 0.00 H new ATOM 0 HA TYR A 93 19.156 -0.768 0.945 1.00 0.00 H new ATOM 0 HB2 TYR A 93 16.737 -1.298 1.998 1.00 0.00 H new ATOM 0 HB3 TYR A 93 17.914 -0.252 2.767 1.00 0.00 H new ATOM 0 HD1 TYR A 93 15.344 0.231 0.052 1.00 0.00 H new ATOM 0 HD2 TYR A 93 16.938 1.575 3.764 1.00 0.00 H new ATOM 0 HE1 TYR A 93 13.690 2.047 0.105 1.00 0.00 H new ATOM 0 HE2 TYR A 93 15.293 3.397 3.817 1.00 0.00 H new ATOM 0 HH TYR A 93 13.806 4.603 2.488 1.00 0.00 H new ATOM 758 N ASN A 94 17.860 -2.745 -0.046 1.00 0.00 N ATOM 759 CA ASN A 94 17.393 -3.868 -0.869 1.00 0.00 C ATOM 760 C ASN A 94 16.010 -3.609 -1.480 1.00 0.00 C ATOM 761 O ASN A 94 15.028 -3.430 -0.764 1.00 0.00 O ATOM 762 CB ASN A 94 17.362 -5.152 -0.029 1.00 0.00 C ATOM 763 CG ASN A 94 16.602 -6.274 -0.705 1.00 0.00 C ATOM 764 OD1 ASN A 94 15.525 -6.665 -0.262 1.00 0.00 O ATOM 765 ND2 ASN A 94 17.154 -6.797 -1.790 1.00 0.00 N ATOM 0 H ASN A 94 18.411 -3.030 0.764 1.00 0.00 H new ATOM 0 HA ASN A 94 18.096 -3.981 -1.695 1.00 0.00 H new ATOM 0 HB2 ASN A 94 18.384 -5.477 0.168 1.00 0.00 H new ATOM 0 HB3 ASN A 94 16.904 -4.939 0.937 1.00 0.00 H new ATOM 0 HD21 ASN A 94 16.683 -7.552 -2.289 1.00 0.00 H new ATOM 0 HD22 ASN A 94 18.050 -6.445 -2.127 1.00 0.00 H new ATOM 772 N THR A 95 15.945 -3.600 -2.811 1.00 0.00 N ATOM 773 CA THR A 95 14.684 -3.371 -3.531 1.00 0.00 C ATOM 774 C THR A 95 13.697 -4.535 -3.360 1.00 0.00 C ATOM 775 O THR A 95 12.505 -4.387 -3.638 1.00 0.00 O ATOM 776 CB THR A 95 14.962 -3.153 -5.021 1.00 0.00 C ATOM 777 OG1 THR A 95 15.526 -4.318 -5.596 1.00 0.00 O ATOM 778 CG2 THR A 95 15.912 -2.008 -5.298 1.00 0.00 C ATOM 0 H THR A 95 16.751 -3.749 -3.418 1.00 0.00 H new ATOM 0 HA THR A 95 14.226 -2.480 -3.101 1.00 0.00 H new ATOM 0 HB THR A 95 13.994 -2.914 -5.461 1.00 0.00 H new ATOM 0 HG1 THR A 95 15.696 -4.163 -6.549 1.00 0.00 H new ATOM 0 HG21 THR A 95 16.063 -1.912 -6.373 1.00 0.00 H new ATOM 0 HG22 THR A 95 15.490 -1.082 -4.907 1.00 0.00 H new ATOM 0 HG23 THR A 95 16.869 -2.204 -4.814 1.00 0.00 H new ATOM 786 N THR A 96 14.197 -5.697 -2.922 1.00 0.00 N ATOM 787 CA THR A 96 13.360 -6.888 -2.736 1.00 0.00 C ATOM 788 C THR A 96 12.381 -6.724 -1.553 1.00 0.00 C ATOM 789 O THR A 96 11.715 -5.693 -1.442 1.00 0.00 O ATOM 790 CB THR A 96 14.249 -8.130 -2.559 1.00 0.00 C ATOM 791 OG1 THR A 96 15.471 -7.985 -3.266 1.00 0.00 O ATOM 792 CG2 THR A 96 13.598 -9.409 -3.043 1.00 0.00 C ATOM 0 H THR A 96 15.180 -5.838 -2.689 1.00 0.00 H new ATOM 0 HA THR A 96 12.750 -7.018 -3.630 1.00 0.00 H new ATOM 0 HB THR A 96 14.418 -8.205 -1.485 1.00 0.00 H new ATOM 0 HG1 THR A 96 15.949 -8.840 -3.271 1.00 0.00 H new ATOM 0 HG21 THR A 96 14.280 -10.245 -2.888 1.00 0.00 H new ATOM 0 HG22 THR A 96 12.678 -9.583 -2.485 1.00 0.00 H new ATOM 0 HG23 THR A 96 13.367 -9.321 -4.105 1.00 0.00 H new ATOM 800 N ARG A 97 12.268 -7.745 -0.687 1.00 0.00 N ATOM 801 CA ARG A 97 11.344 -7.698 0.453 1.00 0.00 C ATOM 802 C ARG A 97 9.891 -7.643 -0.041 1.00 0.00 C ATOM 803 O ARG A 97 9.643 -7.565 -1.247 1.00 0.00 O ATOM 804 CB ARG A 97 11.665 -6.506 1.365 1.00 0.00 C ATOM 805 CG ARG A 97 12.960 -6.677 2.149 1.00 0.00 C ATOM 806 CD ARG A 97 12.716 -6.693 3.653 1.00 0.00 C ATOM 807 NE ARG A 97 13.682 -7.549 4.356 1.00 0.00 N ATOM 808 CZ ARG A 97 13.441 -8.784 4.776 1.00 0.00 C ATOM 809 NH1 ARG A 97 12.266 -9.357 4.575 1.00 0.00 N ATOM 810 NH2 ARG A 97 14.395 -9.447 5.398 1.00 0.00 N ATOM 0 H ARG A 97 12.805 -8.610 -0.756 1.00 0.00 H new ATOM 0 HA ARG A 97 11.469 -8.608 1.040 1.00 0.00 H new ATOM 0 HB2 ARG A 97 11.732 -5.602 0.759 1.00 0.00 H new ATOM 0 HB3 ARG A 97 10.842 -6.361 2.064 1.00 0.00 H new ATOM 0 HG2 ARG A 97 13.445 -7.606 1.850 1.00 0.00 H new ATOM 0 HG3 ARG A 97 13.644 -5.866 1.901 1.00 0.00 H new ATOM 0 HD2 ARG A 97 12.781 -5.677 4.042 1.00 0.00 H new ATOM 0 HD3 ARG A 97 11.705 -7.047 3.853 1.00 0.00 H new ATOM 0 HE ARG A 97 14.609 -7.164 4.535 1.00 0.00 H new ATOM 0 HH11 ARG A 97 11.527 -8.848 4.090 1.00 0.00 H new ATOM 0 HH12 ARG A 97 12.099 -10.308 4.905 1.00 0.00 H new ATOM 0 HH21 ARG A 97 15.304 -9.010 5.551 1.00 0.00 H new ATOM 0 HH22 ARG A 97 14.225 -10.397 5.727 1.00 0.00 H new ATOM 824 N ASN A 98 8.930 -7.712 0.880 1.00 0.00 N ATOM 825 CA ASN A 98 7.515 -7.697 0.494 1.00 0.00 C ATOM 826 C ASN A 98 6.691 -6.713 1.328 1.00 0.00 C ATOM 827 O ASN A 98 6.642 -6.805 2.553 1.00 0.00 O ATOM 828 CB ASN A 98 6.909 -9.104 0.602 1.00 0.00 C ATOM 829 CG ASN A 98 7.769 -10.074 1.397 1.00 0.00 C ATOM 830 OD1 ASN A 98 8.241 -9.760 2.492 1.00 0.00 O ATOM 831 ND2 ASN A 98 7.974 -11.265 0.855 1.00 0.00 N ATOM 0 H ASN A 98 9.099 -7.778 1.884 1.00 0.00 H new ATOM 0 HA ASN A 98 7.478 -7.362 -0.543 1.00 0.00 H new ATOM 0 HB2 ASN A 98 5.927 -9.033 1.070 1.00 0.00 H new ATOM 0 HB3 ASN A 98 6.756 -9.503 -0.401 1.00 0.00 H new ATOM 0 HD21 ASN A 98 8.539 -11.958 1.346 1.00 0.00 H new ATOM 0 HD22 ASN A 98 7.567 -11.489 -0.053 1.00 0.00 H new ATOM 838 N ALA A 99 6.028 -5.787 0.643 1.00 0.00 N ATOM 839 CA ALA A 99 5.182 -4.788 1.292 1.00 0.00 C ATOM 840 C ALA A 99 3.723 -5.252 1.366 1.00 0.00 C ATOM 841 O ALA A 99 2.799 -4.451 1.213 1.00 0.00 O ATOM 842 CB ALA A 99 5.291 -3.458 0.552 1.00 0.00 C ATOM 0 H ALA A 99 6.061 -5.707 -0.373 1.00 0.00 H new ATOM 0 HA ALA A 99 5.532 -4.655 2.316 1.00 0.00 H new ATOM 0 HB1 ALA A 99 4.658 -2.717 1.040 1.00 0.00 H new ATOM 0 HB2 ALA A 99 6.326 -3.117 0.567 1.00 0.00 H new ATOM 0 HB3 ALA A 99 4.967 -3.588 -0.480 1.00 0.00 H new ATOM 848 N TYR A 100 3.520 -6.552 1.600 1.00 0.00 N ATOM 849 CA TYR A 100 2.170 -7.122 1.688 1.00 0.00 C ATOM 850 C TYR A 100 1.307 -6.379 2.706 1.00 0.00 C ATOM 851 O TYR A 100 1.415 -6.588 3.917 1.00 0.00 O ATOM 852 CB TYR A 100 2.195 -8.632 2.001 1.00 0.00 C ATOM 853 CG TYR A 100 3.442 -9.140 2.698 1.00 0.00 C ATOM 854 CD1 TYR A 100 4.020 -8.449 3.759 1.00 0.00 C ATOM 855 CD2 TYR A 100 4.041 -10.321 2.283 1.00 0.00 C ATOM 856 CE1 TYR A 100 5.160 -8.924 4.380 1.00 0.00 C ATOM 857 CE2 TYR A 100 5.179 -10.799 2.900 1.00 0.00 C ATOM 858 CZ TYR A 100 5.734 -10.098 3.945 1.00 0.00 C ATOM 859 OH TYR A 100 6.875 -10.568 4.545 1.00 0.00 O ATOM 0 H TYR A 100 4.271 -7.229 1.732 1.00 0.00 H new ATOM 0 HA TYR A 100 1.719 -6.995 0.704 1.00 0.00 H new ATOM 0 HB2 TYR A 100 1.332 -8.869 2.623 1.00 0.00 H new ATOM 0 HB3 TYR A 100 2.075 -9.180 1.066 1.00 0.00 H new ATOM 0 HD1 TYR A 100 3.571 -7.528 4.102 1.00 0.00 H new ATOM 0 HD2 TYR A 100 3.609 -10.876 1.463 1.00 0.00 H new ATOM 0 HE1 TYR A 100 5.598 -8.377 5.202 1.00 0.00 H new ATOM 0 HE2 TYR A 100 5.632 -11.720 2.564 1.00 0.00 H new ATOM 0 HH TYR A 100 7.660 -10.207 4.083 1.00 0.00 H new ATOM 869 N ARG A 101 0.449 -5.507 2.187 1.00 0.00 N ATOM 870 CA ARG A 101 -0.453 -4.708 3.007 1.00 0.00 C ATOM 871 C ARG A 101 -1.853 -5.328 3.023 1.00 0.00 C ATOM 872 O ARG A 101 -2.352 -5.778 1.991 1.00 0.00 O ATOM 873 CB ARG A 101 -0.491 -3.279 2.459 1.00 0.00 C ATOM 874 CG ARG A 101 -1.638 -2.438 2.985 1.00 0.00 C ATOM 875 CD ARG A 101 -1.275 -1.738 4.277 1.00 0.00 C ATOM 876 NE ARG A 101 -0.253 -0.719 4.076 1.00 0.00 N ATOM 877 CZ ARG A 101 0.194 0.082 5.026 1.00 0.00 C ATOM 878 NH1 ARG A 101 -0.355 0.078 6.229 1.00 0.00 N ATOM 879 NH2 ARG A 101 1.181 0.900 4.764 1.00 0.00 N ATOM 0 H ARG A 101 0.360 -5.335 1.186 1.00 0.00 H new ATOM 0 HA ARG A 101 -0.091 -4.686 4.035 1.00 0.00 H new ATOM 0 HB2 ARG A 101 0.449 -2.784 2.703 1.00 0.00 H new ATOM 0 HB3 ARG A 101 -0.556 -3.321 1.372 1.00 0.00 H new ATOM 0 HG2 ARG A 101 -1.919 -1.697 2.236 1.00 0.00 H new ATOM 0 HG3 ARG A 101 -2.509 -3.072 3.148 1.00 0.00 H new ATOM 0 HD2 ARG A 101 -2.167 -1.278 4.703 1.00 0.00 H new ATOM 0 HD3 ARG A 101 -0.918 -2.472 4.999 1.00 0.00 H new ATOM 0 HE ARG A 101 0.143 -0.618 3.141 1.00 0.00 H new ATOM 0 HH11 ARG A 101 -1.133 -0.549 6.432 1.00 0.00 H new ATOM 0 HH12 ARG A 101 0.000 0.702 6.954 1.00 0.00 H new ATOM 0 HH21 ARG A 101 1.598 0.915 3.833 1.00 0.00 H new ATOM 0 HH22 ARG A 101 1.534 1.523 5.491 1.00 0.00 H new ATOM 893 N GLU A 102 -2.475 -5.367 4.199 1.00 0.00 N ATOM 894 CA GLU A 102 -3.807 -5.958 4.341 1.00 0.00 C ATOM 895 C GLU A 102 -4.917 -4.905 4.402 1.00 0.00 C ATOM 896 O GLU A 102 -4.750 -3.827 4.981 1.00 0.00 O ATOM 897 CB GLU A 102 -3.857 -6.834 5.593 1.00 0.00 C ATOM 898 CG GLU A 102 -4.598 -8.148 5.395 1.00 0.00 C ATOM 899 CD GLU A 102 -4.196 -9.205 6.405 1.00 0.00 C ATOM 900 OE1 GLU A 102 -3.173 -9.886 6.177 1.00 0.00 O ATOM 901 OE2 GLU A 102 -4.903 -9.351 7.423 1.00 0.00 O ATOM 0 H GLU A 102 -2.082 -4.999 5.065 1.00 0.00 H new ATOM 0 HA GLU A 102 -3.985 -6.563 3.452 1.00 0.00 H new ATOM 0 HB2 GLU A 102 -2.838 -7.048 5.916 1.00 0.00 H new ATOM 0 HB3 GLU A 102 -4.336 -6.275 6.397 1.00 0.00 H new ATOM 0 HG2 GLU A 102 -5.671 -7.970 5.469 1.00 0.00 H new ATOM 0 HG3 GLU A 102 -4.405 -8.521 4.389 1.00 0.00 H new ATOM 908 N CYS A 103 -6.057 -5.255 3.813 1.00 0.00 N ATOM 909 CA CYS A 103 -7.245 -4.393 3.785 1.00 0.00 C ATOM 910 C CYS A 103 -8.347 -5.008 4.643 1.00 0.00 C ATOM 911 O CYS A 103 -9.017 -5.952 4.225 1.00 0.00 O ATOM 912 CB CYS A 103 -7.744 -4.198 2.342 1.00 0.00 C ATOM 913 SG CYS A 103 -9.435 -3.518 2.212 1.00 0.00 S ATOM 0 H CYS A 103 -6.188 -6.148 3.338 1.00 0.00 H new ATOM 0 HA CYS A 103 -6.977 -3.416 4.188 1.00 0.00 H new ATOM 0 HB2 CYS A 103 -7.057 -3.532 1.820 1.00 0.00 H new ATOM 0 HB3 CYS A 103 -7.711 -5.158 1.827 1.00 0.00 H new ATOM 918 N LEU A 104 -8.518 -4.466 5.849 1.00 0.00 N ATOM 919 CA LEU A 104 -9.528 -4.951 6.790 1.00 0.00 C ATOM 920 C LEU A 104 -10.921 -4.972 6.168 1.00 0.00 C ATOM 921 O LEU A 104 -11.369 -3.981 5.588 1.00 0.00 O ATOM 922 CB LEU A 104 -9.533 -4.073 8.044 1.00 0.00 C ATOM 923 CG LEU A 104 -8.578 -4.513 9.153 1.00 0.00 C ATOM 924 CD1 LEU A 104 -7.137 -4.326 8.715 1.00 0.00 C ATOM 925 CD2 LEU A 104 -8.849 -3.734 10.428 1.00 0.00 C ATOM 0 H LEU A 104 -7.965 -3.684 6.199 1.00 0.00 H new ATOM 0 HA LEU A 104 -9.268 -5.976 7.056 1.00 0.00 H new ATOM 0 HB2 LEU A 104 -9.282 -3.053 7.754 1.00 0.00 H new ATOM 0 HB3 LEU A 104 -10.545 -4.050 8.447 1.00 0.00 H new ATOM 0 HG LEU A 104 -8.745 -5.571 9.353 1.00 0.00 H new ATOM 0 HD11 LEU A 104 -6.469 -4.644 9.516 1.00 0.00 H new ATOM 0 HD12 LEU A 104 -6.947 -4.925 7.825 1.00 0.00 H new ATOM 0 HD13 LEU A 104 -6.959 -3.275 8.490 1.00 0.00 H new ATOM 0 HD21 LEU A 104 -8.160 -4.060 11.207 1.00 0.00 H new ATOM 0 HD22 LEU A 104 -8.708 -2.670 10.241 1.00 0.00 H new ATOM 0 HD23 LEU A 104 -9.874 -3.912 10.752 1.00 0.00 H new ATOM 937 N GLU A 105 -11.608 -6.106 6.313 1.00 0.00 N ATOM 938 CA GLU A 105 -12.964 -6.269 5.784 1.00 0.00 C ATOM 939 C GLU A 105 -13.852 -5.076 6.141 1.00 0.00 C ATOM 940 O GLU A 105 -14.770 -4.737 5.397 1.00 0.00 O ATOM 941 CB GLU A 105 -13.591 -7.565 6.309 1.00 0.00 C ATOM 942 CG GLU A 105 -13.680 -7.637 7.827 1.00 0.00 C ATOM 943 CD GLU A 105 -14.131 -8.995 8.326 1.00 0.00 C ATOM 944 OE1 GLU A 105 -13.419 -9.987 8.074 1.00 0.00 O ATOM 945 OE2 GLU A 105 -15.198 -9.063 8.972 1.00 0.00 O ATOM 0 H GLU A 105 -11.246 -6.929 6.795 1.00 0.00 H new ATOM 0 HA GLU A 105 -12.890 -6.322 4.698 1.00 0.00 H new ATOM 0 HB2 GLU A 105 -14.592 -7.668 5.891 1.00 0.00 H new ATOM 0 HB3 GLU A 105 -13.007 -8.412 5.949 1.00 0.00 H new ATOM 0 HG2 GLU A 105 -12.705 -7.403 8.255 1.00 0.00 H new ATOM 0 HG3 GLU A 105 -14.375 -6.876 8.182 1.00 0.00 H new ATOM 952 N ASN A 106 -13.556 -4.430 7.271 1.00 0.00 N ATOM 953 CA ASN A 106 -14.318 -3.262 7.715 1.00 0.00 C ATOM 954 C ASN A 106 -14.207 -2.111 6.705 1.00 0.00 C ATOM 955 O ASN A 106 -15.054 -1.218 6.682 1.00 0.00 O ATOM 956 CB ASN A 106 -13.827 -2.801 9.092 1.00 0.00 C ATOM 957 CG ASN A 106 -14.508 -3.534 10.231 1.00 0.00 C ATOM 958 OD1 ASN A 106 -15.392 -2.994 10.889 1.00 0.00 O ATOM 959 ND2 ASN A 106 -14.095 -4.769 10.478 1.00 0.00 N ATOM 0 H ASN A 106 -12.794 -4.696 7.895 1.00 0.00 H new ATOM 0 HA ASN A 106 -15.366 -3.552 7.787 1.00 0.00 H new ATOM 0 HB2 ASN A 106 -12.750 -2.954 9.159 1.00 0.00 H new ATOM 0 HB3 ASN A 106 -14.004 -1.731 9.197 1.00 0.00 H new ATOM 0 HD21 ASN A 106 -14.515 -5.305 11.238 1.00 0.00 H new ATOM 0 HD22 ASN A 106 -13.357 -5.184 9.908 1.00 0.00 H new ATOM 966 N GLY A 107 -13.159 -2.141 5.872 1.00 0.00 N ATOM 967 CA GLY A 107 -12.961 -1.100 4.876 1.00 0.00 C ATOM 968 C GLY A 107 -11.650 -0.349 5.047 1.00 0.00 C ATOM 969 O GLY A 107 -11.156 0.260 4.099 1.00 0.00 O ATOM 0 H GLY A 107 -12.446 -2.870 5.873 1.00 0.00 H new ATOM 0 HA2 GLY A 107 -12.989 -1.547 3.882 1.00 0.00 H new ATOM 0 HA3 GLY A 107 -13.788 -0.392 4.931 1.00 0.00 H new ATOM 973 N THR A 108 -11.082 -0.385 6.256 1.00 0.00 N ATOM 974 CA THR A 108 -9.817 0.308 6.536 1.00 0.00 C ATOM 975 C THR A 108 -8.607 -0.573 6.209 1.00 0.00 C ATOM 976 O THR A 108 -8.697 -1.800 6.208 1.00 0.00 O ATOM 977 CB THR A 108 -9.761 0.759 8.005 1.00 0.00 C ATOM 978 OG1 THR A 108 -9.575 -0.340 8.883 1.00 0.00 O ATOM 979 CG2 THR A 108 -11.006 1.490 8.461 1.00 0.00 C ATOM 0 H THR A 108 -11.474 -0.884 7.055 1.00 0.00 H new ATOM 0 HA THR A 108 -9.776 1.187 5.893 1.00 0.00 H new ATOM 0 HB THR A 108 -8.912 1.442 8.046 1.00 0.00 H new ATOM 0 HG1 THR A 108 -9.542 -0.018 9.808 1.00 0.00 H new ATOM 0 HG21 THR A 108 -10.896 1.778 9.506 1.00 0.00 H new ATOM 0 HG22 THR A 108 -11.148 2.382 7.851 1.00 0.00 H new ATOM 0 HG23 THR A 108 -11.872 0.836 8.354 1.00 0.00 H new ATOM 987 N TRP A 109 -7.466 0.065 5.939 1.00 0.00 N ATOM 988 CA TRP A 109 -6.233 -0.662 5.620 1.00 0.00 C ATOM 989 C TRP A 109 -5.459 -1.003 6.901 1.00 0.00 C ATOM 990 O TRP A 109 -5.521 -0.269 7.888 1.00 0.00 O ATOM 991 CB TRP A 109 -5.360 0.162 4.665 1.00 0.00 C ATOM 992 CG TRP A 109 -5.760 0.030 3.223 1.00 0.00 C ATOM 993 CD1 TRP A 109 -6.530 0.898 2.502 1.00 0.00 C ATOM 994 CD2 TRP A 109 -5.408 -1.031 2.325 1.00 0.00 C ATOM 995 NE1 TRP A 109 -6.673 0.443 1.210 1.00 0.00 N ATOM 996 CE2 TRP A 109 -5.997 -0.740 1.080 1.00 0.00 C ATOM 997 CE3 TRP A 109 -4.653 -2.199 2.455 1.00 0.00 C ATOM 998 CZ2 TRP A 109 -5.850 -1.574 -0.027 1.00 0.00 C ATOM 999 CZ3 TRP A 109 -4.509 -3.026 1.357 1.00 0.00 C ATOM 1000 CH2 TRP A 109 -5.105 -2.710 0.131 1.00 0.00 C ATOM 0 H TRP A 109 -7.369 1.080 5.935 1.00 0.00 H new ATOM 0 HA TRP A 109 -6.501 -1.596 5.125 1.00 0.00 H new ATOM 0 HB2 TRP A 109 -5.411 1.212 4.953 1.00 0.00 H new ATOM 0 HB3 TRP A 109 -4.321 -0.149 4.776 1.00 0.00 H new ATOM 0 HD1 TRP A 109 -6.963 1.808 2.889 1.00 0.00 H new ATOM 0 HE1 TRP A 109 -7.197 0.911 0.471 1.00 0.00 H new ATOM 0 HE3 TRP A 109 -4.190 -2.452 3.397 1.00 0.00 H new ATOM 0 HZ2 TRP A 109 -6.308 -1.332 -0.975 1.00 0.00 H new ATOM 0 HZ3 TRP A 109 -3.927 -3.931 1.447 1.00 0.00 H new ATOM 0 HH2 TRP A 109 -4.974 -3.377 -0.708 1.00 0.00 H new ATOM 1011 N ALA A 110 -4.746 -2.131 6.883 1.00 0.00 N ATOM 1012 CA ALA A 110 -3.982 -2.583 8.050 1.00 0.00 C ATOM 1013 C ALA A 110 -2.508 -2.166 7.997 1.00 0.00 C ATOM 1014 O ALA A 110 -2.026 -1.613 7.001 1.00 0.00 O ATOM 1015 CB ALA A 110 -4.087 -4.099 8.178 1.00 0.00 C ATOM 0 H ALA A 110 -4.681 -2.749 6.074 1.00 0.00 H new ATOM 0 HA ALA A 110 -4.417 -2.099 8.924 1.00 0.00 H new ATOM 0 HB1 ALA A 110 -3.518 -4.431 9.046 1.00 0.00 H new ATOM 0 HB2 ALA A 110 -5.133 -4.382 8.299 1.00 0.00 H new ATOM 0 HB3 ALA A 110 -3.686 -4.569 7.280 1.00 0.00 H new ATOM 1021 N SER A 111 -1.791 -2.462 9.081 1.00 0.00 N ATOM 1022 CA SER A 111 -0.364 -2.156 9.181 1.00 0.00 C ATOM 1023 C SER A 111 0.464 -3.401 8.846 1.00 0.00 C ATOM 1024 O SER A 111 1.458 -3.700 9.508 1.00 0.00 O ATOM 1025 CB SER A 111 -0.022 -1.657 10.589 1.00 0.00 C ATOM 1026 OG SER A 111 -0.694 -0.439 10.879 1.00 0.00 O ATOM 0 H SER A 111 -2.179 -2.917 9.908 1.00 0.00 H new ATOM 0 HA SER A 111 -0.124 -1.369 8.466 1.00 0.00 H new ATOM 0 HB2 SER A 111 -0.300 -2.413 11.323 1.00 0.00 H new ATOM 0 HB3 SER A 111 1.055 -1.511 10.674 1.00 0.00 H new ATOM 0 HG SER A 111 -0.460 -0.144 11.784 1.00 0.00 H new ATOM 1032 N ARG A 112 0.032 -4.125 7.813 1.00 0.00 N ATOM 1033 CA ARG A 112 0.709 -5.345 7.373 1.00 0.00 C ATOM 1034 C ARG A 112 1.907 -5.030 6.469 1.00 0.00 C ATOM 1035 O ARG A 112 2.824 -5.843 6.338 1.00 0.00 O ATOM 1036 CB ARG A 112 -0.287 -6.250 6.638 1.00 0.00 C ATOM 1037 CG ARG A 112 -0.212 -7.710 7.054 1.00 0.00 C ATOM 1038 CD ARG A 112 1.042 -8.373 6.514 1.00 0.00 C ATOM 1039 NE ARG A 112 1.151 -9.768 6.953 1.00 0.00 N ATOM 1040 CZ ARG A 112 1.509 -10.144 8.178 1.00 0.00 C ATOM 1041 NH1 ARG A 112 1.841 -9.248 9.089 1.00 0.00 N ATOM 1042 NH2 ARG A 112 1.535 -11.423 8.488 1.00 0.00 N ATOM 0 H ARG A 112 -0.791 -3.884 7.261 1.00 0.00 H new ATOM 0 HA ARG A 112 1.089 -5.861 8.255 1.00 0.00 H new ATOM 0 HB2 ARG A 112 -1.298 -5.883 6.816 1.00 0.00 H new ATOM 0 HB3 ARG A 112 -0.106 -6.178 5.566 1.00 0.00 H new ATOM 0 HG2 ARG A 112 -0.224 -7.782 8.142 1.00 0.00 H new ATOM 0 HG3 ARG A 112 -1.092 -8.240 6.690 1.00 0.00 H new ATOM 0 HD2 ARG A 112 1.034 -8.334 5.425 1.00 0.00 H new ATOM 0 HD3 ARG A 112 1.919 -7.818 6.846 1.00 0.00 H new ATOM 0 HE ARG A 112 0.938 -10.499 6.274 1.00 0.00 H new ATOM 0 HH11 ARG A 112 1.825 -8.255 8.857 1.00 0.00 H new ATOM 0 HH12 ARG A 112 2.114 -9.549 10.025 1.00 0.00 H new ATOM 0 HH21 ARG A 112 1.281 -12.122 7.790 1.00 0.00 H new ATOM 0 HH22 ARG A 112 1.809 -11.715 9.426 1.00 0.00 H new ATOM 1056 N VAL A 113 1.889 -3.844 5.852 1.00 0.00 N ATOM 1057 CA VAL A 113 2.962 -3.408 4.959 1.00 0.00 C ATOM 1058 C VAL A 113 4.348 -3.558 5.601 1.00 0.00 C ATOM 1059 O VAL A 113 4.514 -3.359 6.805 1.00 0.00 O ATOM 1060 CB VAL A 113 2.776 -1.937 4.545 1.00 0.00 C ATOM 1061 CG1 VAL A 113 3.093 -0.997 5.705 1.00 0.00 C ATOM 1062 CG2 VAL A 113 3.635 -1.605 3.339 1.00 0.00 C ATOM 0 H VAL A 113 1.135 -3.165 5.958 1.00 0.00 H new ATOM 0 HA VAL A 113 2.906 -4.054 4.082 1.00 0.00 H new ATOM 0 HB VAL A 113 1.730 -1.796 4.271 1.00 0.00 H new ATOM 0 HG11 VAL A 113 2.953 0.036 5.385 1.00 0.00 H new ATOM 0 HG12 VAL A 113 2.426 -1.212 6.540 1.00 0.00 H new ATOM 0 HG13 VAL A 113 4.126 -1.143 6.020 1.00 0.00 H new ATOM 0 HG21 VAL A 113 3.488 -0.561 3.064 1.00 0.00 H new ATOM 0 HG22 VAL A 113 4.684 -1.772 3.583 1.00 0.00 H new ATOM 0 HG23 VAL A 113 3.351 -2.244 2.503 1.00 0.00 H new ATOM 1072 N ASN A 114 5.342 -3.865 4.776 1.00 0.00 N ATOM 1073 CA ASN A 114 6.722 -4.001 5.241 1.00 0.00 C ATOM 1074 C ASN A 114 7.594 -2.904 4.621 1.00 0.00 C ATOM 1075 O ASN A 114 8.727 -3.149 4.197 1.00 0.00 O ATOM 1076 CB ASN A 114 7.265 -5.391 4.888 1.00 0.00 C ATOM 1077 CG ASN A 114 8.407 -5.820 5.786 1.00 0.00 C ATOM 1078 OD1 ASN A 114 8.196 -6.463 6.808 1.00 0.00 O ATOM 1079 ND2 ASN A 114 9.625 -5.461 5.412 1.00 0.00 N ATOM 0 H ASN A 114 5.219 -4.026 3.776 1.00 0.00 H new ATOM 0 HA ASN A 114 6.745 -3.890 6.325 1.00 0.00 H new ATOM 0 HB2 ASN A 114 6.458 -6.120 4.960 1.00 0.00 H new ATOM 0 HB3 ASN A 114 7.603 -5.392 3.852 1.00 0.00 H new ATOM 0 HD21 ASN A 114 10.430 -5.720 5.982 1.00 0.00 H new ATOM 0 HD22 ASN A 114 9.758 -4.926 4.554 1.00 0.00 H new ATOM 1086 N TYR A 115 7.043 -1.691 4.565 1.00 0.00 N ATOM 1087 CA TYR A 115 7.742 -0.541 3.992 1.00 0.00 C ATOM 1088 C TYR A 115 8.750 0.048 4.974 1.00 0.00 C ATOM 1089 O TYR A 115 9.860 0.409 4.589 1.00 0.00 O ATOM 1090 CB TYR A 115 6.736 0.538 3.591 1.00 0.00 C ATOM 1091 CG TYR A 115 6.591 0.732 2.100 1.00 0.00 C ATOM 1092 CD1 TYR A 115 5.753 -0.084 1.353 1.00 0.00 C ATOM 1093 CD2 TYR A 115 7.273 1.747 1.443 1.00 0.00 C ATOM 1094 CE1 TYR A 115 5.601 0.103 -0.004 1.00 0.00 C ATOM 1095 CE2 TYR A 115 7.120 1.944 0.084 1.00 0.00 C ATOM 1096 CZ TYR A 115 6.284 1.118 -0.632 1.00 0.00 C ATOM 1097 OH TYR A 115 6.113 1.320 -1.978 1.00 0.00 O ATOM 0 H TYR A 115 6.108 -1.479 4.912 1.00 0.00 H new ATOM 0 HA TYR A 115 8.283 -0.889 3.112 1.00 0.00 H new ATOM 0 HB2 TYR A 115 5.762 0.283 4.008 1.00 0.00 H new ATOM 0 HB3 TYR A 115 7.038 1.484 4.041 1.00 0.00 H new ATOM 0 HD1 TYR A 115 5.211 -0.879 1.843 1.00 0.00 H new ATOM 0 HD2 TYR A 115 7.933 2.393 2.003 1.00 0.00 H new ATOM 0 HE1 TYR A 115 4.949 -0.544 -0.571 1.00 0.00 H new ATOM 0 HE2 TYR A 115 7.653 2.741 -0.413 1.00 0.00 H new ATOM 0 HH TYR A 115 5.338 1.901 -2.126 1.00 0.00 H new ATOM 1107 N SER A 116 8.358 0.152 6.244 1.00 0.00 N ATOM 1108 CA SER A 116 9.234 0.711 7.278 1.00 0.00 C ATOM 1109 C SER A 116 10.256 -0.315 7.784 1.00 0.00 C ATOM 1110 O SER A 116 10.523 -0.399 8.989 1.00 0.00 O ATOM 1111 CB SER A 116 8.398 1.243 8.444 1.00 0.00 C ATOM 1112 OG SER A 116 9.163 2.113 9.258 1.00 0.00 O ATOM 0 H SER A 116 7.442 -0.142 6.583 1.00 0.00 H new ATOM 0 HA SER A 116 9.792 1.531 6.827 1.00 0.00 H new ATOM 0 HB2 SER A 116 7.525 1.771 8.060 1.00 0.00 H new ATOM 0 HB3 SER A 116 8.029 0.410 9.042 1.00 0.00 H new ATOM 0 HG SER A 116 9.958 1.642 9.584 1.00 0.00 H new ATOM 1118 N HIS A 117 10.831 -1.088 6.864 1.00 0.00 N ATOM 1119 CA HIS A 117 11.827 -2.097 7.212 1.00 0.00 C ATOM 1120 C HIS A 117 12.960 -2.089 6.178 1.00 0.00 C ATOM 1121 O HIS A 117 13.855 -1.247 6.244 1.00 0.00 O ATOM 1122 CB HIS A 117 11.169 -3.484 7.299 1.00 0.00 C ATOM 1123 CG HIS A 117 10.441 -3.753 8.585 1.00 0.00 C ATOM 1124 ND1 HIS A 117 10.281 -2.815 9.586 1.00 0.00 N ATOM 1125 CD2 HIS A 117 9.825 -4.874 9.025 1.00 0.00 C ATOM 1126 CE1 HIS A 117 9.600 -3.351 10.583 1.00 0.00 C ATOM 1127 NE2 HIS A 117 9.310 -4.600 10.266 1.00 0.00 N ATOM 0 H HIS A 117 10.622 -1.033 5.867 1.00 0.00 H new ATOM 0 HA HIS A 117 12.251 -1.862 8.188 1.00 0.00 H new ATOM 0 HB2 HIS A 117 10.468 -3.591 6.471 1.00 0.00 H new ATOM 0 HB3 HIS A 117 11.938 -4.245 7.166 1.00 0.00 H new ATOM 0 HD1 HIS A 117 10.633 -1.858 9.560 1.00 0.00 H new ATOM 0 HD2 HIS A 117 9.752 -5.813 8.496 1.00 0.00 H new ATOM 0 HE1 HIS A 117 9.327 -2.853 11.501 1.00 0.00 H new ATOM 1136 N CYS A 118 12.905 -3.011 5.210 1.00 0.00 N ATOM 1137 CA CYS A 118 13.922 -3.089 4.157 1.00 0.00 C ATOM 1138 C CYS A 118 15.321 -3.353 4.729 1.00 0.00 C ATOM 1139 O CYS A 118 15.510 -3.427 5.946 1.00 0.00 O ATOM 1140 CB CYS A 118 13.921 -1.793 3.342 1.00 0.00 C ATOM 1141 SG CYS A 118 14.060 -2.042 1.544 1.00 0.00 S ATOM 0 H CYS A 118 12.168 -3.712 5.135 1.00 0.00 H new ATOM 0 HA CYS A 118 13.671 -3.930 3.511 1.00 0.00 H new ATOM 0 HB2 CYS A 118 13.002 -1.246 3.552 1.00 0.00 H new ATOM 0 HB3 CYS A 118 14.748 -1.166 3.676 1.00 0.00 H new ATOM 1146 N GLU A 119 16.300 -3.494 3.837 1.00 0.00 N ATOM 1147 CA GLU A 119 17.682 -3.747 4.242 1.00 0.00 C ATOM 1148 C GLU A 119 18.640 -2.759 3.564 1.00 0.00 C ATOM 1149 O GLU A 119 18.887 -2.852 2.358 1.00 0.00 O ATOM 1150 CB GLU A 119 18.076 -5.187 3.901 1.00 0.00 C ATOM 1151 CG GLU A 119 18.103 -6.112 5.110 1.00 0.00 C ATOM 1152 CD GLU A 119 17.360 -7.412 4.877 1.00 0.00 C ATOM 1153 OE1 GLU A 119 17.968 -8.355 4.338 1.00 0.00 O ATOM 1154 OE2 GLU A 119 16.167 -7.486 5.241 1.00 0.00 O ATOM 0 H GLU A 119 16.162 -3.437 2.828 1.00 0.00 H new ATOM 0 HA GLU A 119 17.755 -3.606 5.320 1.00 0.00 H new ATOM 0 HB2 GLU A 119 17.375 -5.583 3.166 1.00 0.00 H new ATOM 0 HB3 GLU A 119 19.060 -5.185 3.433 1.00 0.00 H new ATOM 0 HG2 GLU A 119 19.139 -6.333 5.369 1.00 0.00 H new ATOM 0 HG3 GLU A 119 17.664 -5.597 5.965 1.00 0.00 H new ATOM 1161 N PRO A 120 19.177 -1.780 4.327 1.00 0.00 N ATOM 1162 CA PRO A 120 20.097 -0.769 3.790 1.00 0.00 C ATOM 1163 C PRO A 120 21.237 -1.373 2.968 1.00 0.00 C ATOM 1164 O PRO A 120 21.889 -2.328 3.390 1.00 0.00 O ATOM 1165 CB PRO A 120 20.645 -0.053 5.033 1.00 0.00 C ATOM 1166 CG PRO A 120 20.138 -0.818 6.214 1.00 0.00 C ATOM 1167 CD PRO A 120 18.921 -1.573 5.758 1.00 0.00 C ATOM 0 HA PRO A 120 19.582 -0.101 3.100 1.00 0.00 H new ATOM 0 HB2 PRO A 120 21.735 -0.032 5.021 1.00 0.00 H new ATOM 0 HB3 PRO A 120 20.307 0.983 5.066 1.00 0.00 H new ATOM 0 HG2 PRO A 120 20.900 -1.503 6.586 1.00 0.00 H new ATOM 0 HG3 PRO A 120 19.889 -0.143 7.033 1.00 0.00 H new ATOM 0 HD2 PRO A 120 18.810 -2.518 6.289 1.00 0.00 H new ATOM 0 HD3 PRO A 120 18.007 -1.004 5.926 1.00 0.00 H new ATOM 1175 N ILE A 121 21.460 -0.794 1.791 1.00 0.00 N ATOM 1176 CA ILE A 121 22.508 -1.246 0.875 1.00 0.00 C ATOM 1177 C ILE A 121 22.932 -0.104 -0.051 1.00 0.00 C ATOM 1178 O ILE A 121 24.153 0.127 -0.200 1.00 0.00 O ATOM 1179 CB ILE A 121 22.021 -2.447 0.028 1.00 0.00 C ATOM 1180 CG1 ILE A 121 22.238 -3.760 0.784 1.00 0.00 C ATOM 1181 CG2 ILE A 121 22.729 -2.502 -1.322 1.00 0.00 C ATOM 1182 CD1 ILE A 121 20.955 -4.486 1.112 1.00 0.00 C ATOM 0 H ILE A 121 20.922 -0.000 1.444 1.00 0.00 H new ATOM 0 HA ILE A 121 23.363 -1.563 1.472 1.00 0.00 H new ATOM 0 HB ILE A 121 20.955 -2.310 -0.153 1.00 0.00 H new ATOM 0 HG12 ILE A 121 22.873 -4.414 0.186 1.00 0.00 H new ATOM 0 HG13 ILE A 121 22.775 -3.553 1.709 1.00 0.00 H new ATOM 0 HG21 ILE A 121 22.363 -3.357 -1.890 1.00 0.00 H new ATOM 0 HG22 ILE A 121 22.528 -1.585 -1.876 1.00 0.00 H new ATOM 0 HG23 ILE A 121 23.803 -2.603 -1.166 1.00 0.00 H new ATOM 0 HD11 ILE A 121 21.185 -5.407 1.647 1.00 0.00 H new ATOM 0 HD12 ILE A 121 20.327 -3.851 1.736 1.00 0.00 H new ATOM 0 HD13 ILE A 121 20.426 -4.725 0.189 1.00 0.00 H new TER 1194 ILE A 121